#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtq n GLU 21 N 0.00 0.00 0.00 -0.67 0.28 -1.26 -3.47 120.64 115.52 3gtq n GLU 21 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 3gtq n GLU 21 Cb 0.00 0.00 0.61 0.00 1.43 0.00 0.00 31.44 33.48 3gtq n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3gtq n SER 22 N 0.00 1.03 -4.68 -1.84 7.64 -1.26 -1.42 113.62 113.09 3gtq n SER 22 Ca 0.00 -1.23 -0.29 0.00 1.01 0.00 0.00 58.87 58.36 3gtq n SER 22 Cb 0.00 0.01 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 3gtq n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtq s ALA 23 N -2.10 0.98 0.90 -0.43 0.00 -1.23 -4.87 121.76 115.01 3gtq s ALA 23 Ca 0.38 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3gtq s ALA 23 Cb 0.21 -3.11 0.13 0.00 0.00 0.00 0.00 23.12 20.36 3gtq s ALA 23 CO 0.38 -2.83 1.14 -1.25 0.00 0.00 0.00 175.76 173.20 3gtq s PRO 24 N -4.99 1.20 0.38 0.00 0.04 -1.26 -2.17 135.00 128.19 3gtq s PRO 24 Ca 0.65 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.94 3gtq s PRO 24 Cb -0.18 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.59 3gtq s PRO 24 CO 0.57 -2.16 0.52 -0.89 0.04 0.00 0.00 177.00 175.08 3gtq n ILE 25 N -3.74 0.00 -3.76 0.56 5.41 -1.26 -3.74 119.36 112.83 3gtq n ILE 25 Ca 0.07 -0.57 -0.12 0.00 1.00 0.00 0.00 62.75 63.13 3gtq n ILE 25 Cb 0.59 -1.48 -0.08 0.00 -0.71 0.00 0.00 39.64 37.97 3gtq n ILE 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3gtq s THR 26 N -1.77 0.08 0.46 1.39 -4.23 -1.26 -4.83 115.64 105.47 3gtq s THR 26 Ca 0.32 -0.63 0.32 0.00 -1.18 0.00 0.00 61.69 60.52 3gtq s THR 26 Cb -0.01 -0.82 0.52 0.00 1.34 0.00 0.00 72.50 73.52 3gtq s THR 26 CO 0.22 -0.35 1.66 0.00 -0.54 0.00 0.00 174.62 175.61 3gtq h ALA 27 N 3.46 2.86 -0.17 3.99 0.00 -1.96 1.32 119.26 128.77 3gtq h ALA 27 Ca -0.31 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3gtq h ALA 27 Cb 1.19 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3gtq h ALA 27 CO 0.44 -1.42 -0.58 1.49 0.00 0.00 0.00 179.25 179.18 3gtq h GLU 28 N 0.11 0.53 0.00 0.00 4.22 -1.98 -2.72 114.58 114.75 3gtq h GLU 28 Ca 0.78 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3gtq h GLU 28 Cb 2.55 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.85 3gtq h GLU 28 CO -0.30 0.96 0.00 -0.25 -2.18 0.00 0.00 179.01 177.24 3gtq n ASP 29 N -3.94 0.00 -0.04 1.04 8.00 0.45 -3.22 116.55 118.85 3gtq n ASP 29 Ca -0.03 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 3gtq n ASP 29 Cb 0.62 -0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 3gtq n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3gtq h SER 30 N 0.00 0.23 0.07 -2.24 0.02 -1.27 -3.06 113.55 107.29 3gtq h SER 30 Ca 0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3gtq h SER 30 Cb 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3gtq h SER 30 CO 0.00 0.75 0.00 0.79 -1.14 0.00 0.00 176.83 177.23 3gtq n TRP 31 N -4.63 0.00 -0.03 3.45 7.02 -1.20 -0.57 117.44 121.48 3gtq n TRP 31 Ca -0.08 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.25 3gtq n TRP 31 Cb 0.37 -0.33 -0.09 0.00 -2.42 0.00 0.00 31.31 28.83 3gtq n TRP 31 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3gtq h ALA 32 N 2.14 0.12 -0.24 6.99 0.00 -1.73 -1.79 119.26 124.75 3gtq h ALA 32 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3gtq h ALA 32 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gtq h ALA 32 CO 0.00 0.16 -0.11 0.28 0.00 0.00 0.00 179.25 179.57 3gtq h VAL 33 N -0.19 1.30 0.08 0.00 2.07 -0.96 -0.42 116.25 118.13 3gtq h VAL 33 Ca -0.02 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.33 3gtq h VAL 33 Cb 0.94 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3gtq h VAL 33 CO 0.06 0.37 -0.29 0.40 0.02 0.00 0.00 177.57 178.13 3gtq h ILE 34 N 0.22 0.00 -1.08 4.57 2.04 -1.43 0.62 117.51 122.45 3gtq h ILE 34 Ca 0.05 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.29 3gtq h ILE 34 Cb 0.61 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.54 3gtq h ILE 34 CO 0.03 0.00 0.64 0.28 0.00 0.00 0.00 178.15 179.10 3gtq h SER 35 N -0.42 0.40 -0.21 1.72 0.02 -1.23 0.19 113.55 114.02 3gtq h SER 35 Ca -0.01 0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3gtq h SER 35 Cb 0.42 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3gtq h SER 35 CO -0.14 -0.21 -0.00 0.00 -1.14 0.00 0.00 176.83 175.33 3gtq h ALA 36 N 1.82 0.28 -2.27 3.77 0.00 0.20 -3.23 119.26 119.81 3gtq h ALA 36 Ca 0.78 -0.21 -0.50 0.00 0.00 0.00 0.00 54.91 54.97 3gtq h ALA 36 Cb 2.03 -0.08 0.18 0.00 0.00 0.00 0.00 17.79 19.92 3gtq h ALA 36 CO -0.59 0.00 0.22 0.12 0.00 0.00 0.00 179.25 179.01 3gtq s PHE 37 N -4.96 1.90 0.00 0.00 5.36 0.66 -3.14 117.98 117.79 3gtq s PHE 37 Ca -0.14 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3gtq s PHE 37 Cb 0.07 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 3gtq s PHE 37 CO 0.73 -2.65 0.00 1.19 -1.46 0.00 0.00 175.22 173.04 3gtq n PHE 38 N -4.11 0.00 -0.31 10.12 0.99 -1.26 -4.57 117.46 118.32 3gtq n PHE 38 Ca 0.09 0.00 0.24 0.00 -0.00 0.00 0.00 57.45 57.78 3gtq n PHE 38 Cb 0.53 0.00 0.45 0.00 -1.00 0.00 0.00 39.48 39.46 3gtq n PHE 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3gtq n ARG 39 N 0.00 -0.06 -0.01 -1.08 5.12 -1.19 0.10 116.66 119.54 3gtq n ARG 39 Ca 0.00 1.35 -0.00 0.00 -1.93 0.00 0.00 57.85 57.27 3gtq n ARG 39 Cb 0.00 -2.31 -0.00 0.00 -1.16 0.00 0.00 32.46 28.99 3gtq n ARG 39 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 3gtq h GLU 40 N 0.00 0.00 -0.60 5.56 4.81 -1.80 -3.41 114.58 119.14 3gtq h GLU 40 Ca 0.71 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 3gtq h GLU 40 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 3gtq h GLU 40 CO -0.79 0.00 0.00 0.36 -0.73 0.00 0.00 179.01 177.85 3gtq n LYS 41 N -2.46 4.48 0.00 1.92 2.85 -1.14 -5.01 118.16 118.80 3gtq n LYS 41 Ca -0.00 -3.08 0.00 0.00 -1.05 0.00 0.00 58.31 54.18 3gtq n LYS 41 Cb 0.01 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 3gtq n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtq n GLY 42 N 0.78 4.19 0.00 2.58 0.00 0.29 -3.39 105.19 109.64 3gtq n GLY 42 Ca 0.27 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3gtq n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtq n LEU 43 N 0.00 0.00 -0.99 0.99 4.77 -1.26 -4.48 117.00 116.03 3gtq n LEU 43 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3gtq n LEU 43 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 3gtq n LEU 43 CO 0.00 0.00 0.71 1.33 -1.33 0.00 0.00 177.39 178.10 3gtq n VAL 44 N -0.77 0.65 0.00 4.08 0.24 -1.26 -4.73 118.33 116.54 3gtq n VAL 44 Ca 0.00 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3gtq n VAL 44 Cb 0.00 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3gtq n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gtq n SER 45 N 1.08 0.00 -0.13 -1.34 3.41 -1.22 0.15 113.62 115.57 3gtq n SER 45 Ca 0.18 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 3gtq n SER 45 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3gtq n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3gtq h GLN 46 N 0.00 -0.18 -0.29 4.33 3.07 -1.89 0.26 115.11 120.42 3gtq h GLN 46 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 3gtq h GLN 46 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 3gtq h GLN 46 CO 0.00 -0.12 0.15 1.96 0.09 0.00 0.00 178.83 180.91 3gtq h GLN 47 N -0.19 0.41 0.29 0.06 1.08 0.11 -1.29 115.11 115.58 3gtq h GLN 47 Ca 0.20 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3gtq h GLN 47 Cb 0.50 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3gtq h GLN 47 CO -0.54 0.36 -0.14 -0.07 -0.95 0.00 0.00 178.83 177.50 3gtq h LEU 48 N 0.35 -0.33 -0.71 1.46 3.38 -1.25 -1.99 115.31 116.22 3gtq h LEU 48 Ca 0.10 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gtq h LEU 48 Cb 0.08 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3gtq h LEU 48 CO -0.02 0.10 0.42 0.44 0.09 0.00 0.00 178.44 179.47 3gtq h ASP 49 N -0.82 0.66 -0.77 -0.43 3.45 -0.54 -0.29 116.42 117.68 3gtq h ASP 49 Ca -0.04 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 3gtq h ASP 49 Cb 0.51 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.13 3gtq h ASP 49 CO 0.06 0.44 0.48 -1.28 -1.57 0.00 0.00 179.24 177.37 3gtq h SER 50 N 0.79 0.91 -0.05 6.45 0.87 -1.28 -2.28 113.55 118.97 3gtq h SER 50 Ca 0.31 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.65 3gtq h SER 50 Cb 0.13 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3gtq h SER 50 CO -0.15 0.69 -0.54 0.15 -0.53 0.00 0.00 176.83 176.45 3gtq h PHE 51 N 1.05 0.79 -0.21 2.24 3.57 -0.76 -3.13 116.94 120.49 3gtq h PHE 51 Ca 0.28 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 3gtq h PHE 51 Cb -0.07 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3gtq h PHE 51 CO -0.01 1.03 -0.16 -0.91 -2.23 0.00 0.00 178.31 176.02 3gtq h ASN 52 N 0.49 0.34 1.19 0.41 2.35 -0.84 -1.52 115.58 118.00 3gtq h ASN 52 Ca 0.01 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3gtq h ASN 52 Cb 1.09 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3gtq h ASN 52 CO 0.11 0.53 -0.35 -0.61 -1.65 0.00 0.00 177.43 175.45 3gtq h GLN 53 N 0.33 0.00 -0.10 0.81 5.75 -1.48 -1.72 115.11 118.70 3gtq h GLN 53 Ca 0.06 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3gtq h GLN 53 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3gtq h GLN 53 CO 0.03 0.35 -0.33 0.35 -2.65 0.00 0.00 178.83 176.58 3gtq h PHE 54 N 0.00 0.52 -0.56 3.99 3.57 -1.26 -2.30 116.94 120.90 3gtq h PHE 54 Ca -0.00 -0.21 -0.10 0.00 3.53 0.00 0.00 57.97 61.18 3gtq h PHE 54 Cb 1.04 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3gtq h PHE 54 CO 0.00 0.94 -0.05 0.28 -2.23 0.00 0.00 178.31 177.25 3gtq h VAL 55 N -0.05 1.26 0.03 1.41 2.07 -1.29 0.34 116.25 120.02 3gtq h VAL 55 Ca -0.01 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 3gtq h VAL 55 Cb 0.96 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3gtq h VAL 55 CO 0.07 0.43 -0.35 0.44 0.02 0.00 0.00 177.57 178.17 3gtq h ASP 56 N 0.92 0.26 0.00 0.57 5.19 -1.38 -3.41 116.42 118.56 3gtq h ASP 56 Ca 0.16 -0.86 0.00 0.00 -0.62 0.00 0.00 57.03 55.71 3gtq h ASP 56 Cb 0.60 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3gtq h ASP 56 CO 0.04 1.09 0.00 -1.22 -3.12 0.00 0.00 179.24 176.03 3gtq n TYR 57 N -4.42 0.00 -0.26 4.55 4.02 -0.89 -4.67 117.16 115.49 3gtq n TYR 57 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.71 3gtq n TYR 57 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.87 3gtq n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3gtq h THR 58 N 0.00 0.06 -1.05 -0.72 2.02 -1.48 0.33 112.91 112.06 3gtq h THR 58 Ca 0.00 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.47 3gtq h THR 58 Cb 0.00 0.06 -0.12 0.00 -1.74 0.00 0.00 68.15 66.35 3gtq h THR 58 CO 0.00 0.00 0.65 0.25 0.37 0.00 0.00 175.52 176.79 3gtq h LEU 59 N -0.17 0.51 -0.31 2.58 5.85 -0.56 -0.85 115.31 122.37 3gtq h LEU 59 Ca 0.20 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3gtq h LEU 59 Cb 0.55 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3gtq h LEU 59 CO -0.77 0.02 0.03 -0.61 -0.34 0.00 0.00 178.44 176.77 3gtq h GLN 60 N 0.41 0.52 -0.03 1.25 5.75 -0.58 -3.17 115.11 119.26 3gtq h GLN 60 Ca 0.66 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 59.01 3gtq h GLN 60 Cb 1.57 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.06 3gtq h GLN 60 CO -0.43 0.64 0.00 -0.40 -2.65 0.00 0.00 178.83 175.99 3gtq n ASP 61 N -4.60 2.06 -0.02 -0.69 5.75 -0.53 -3.49 116.55 115.04 3gtq n ASP 61 Ca -0.02 -1.69 -0.13 0.00 -0.01 0.00 0.00 54.79 52.94 3gtq n ASP 61 Cb 0.23 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 3gtq n ASP 61 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3gtq h ILE 62 N 3.20 1.41 -0.66 2.12 1.08 -1.26 -3.34 117.51 120.06 3gtq h ILE 62 Ca 0.00 -1.53 0.09 0.00 -0.39 0.00 0.00 64.86 63.03 3gtq h ILE 62 Cb 0.68 2.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 3gtq h ILE 62 CO 0.00 0.38 0.44 -0.29 -0.69 0.00 0.00 178.15 177.99 3gtq h ILE 63 N -0.73 0.92 -2.44 -0.67 6.09 -1.59 -3.22 117.51 115.86 3gtq h ILE 63 Ca -0.00 -0.18 -0.67 0.00 -1.37 0.00 0.00 64.86 62.64 3gtq h ILE 63 Cb 0.66 0.35 -0.37 0.00 0.47 0.00 0.00 36.82 37.92 3gtq h ILE 63 CO 0.01 0.10 -0.14 0.00 -3.07 0.00 0.00 178.15 175.04 3gtq n GLU 65 N 1.02 0.00 -0.00 0.00 0.00 -1.22 -4.82 120.64 115.61 3gtq n GLU 65 Ca 0.29 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.54 3gtq n GLU 65 Cb 0.38 -0.17 -0.12 0.00 0.00 0.00 0.00 31.44 31.53 3gtq n GLU 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3gtq n ASP 66 N -3.04 0.76 0.00 4.31 5.75 -1.26 -4.83 116.55 118.25 3gtq n ASP 66 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 3gtq n ASP 66 Cb 0.00 1.36 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 3gtq n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3gtq n SER 67 N -1.74 0.00 -4.44 -1.12 2.88 -1.26 -4.58 113.62 103.36 3gtq n SER 67 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 3gtq n SER 67 Cb 0.38 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.85 3gtq n SER 67 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3gtq n THR 68 N 0.00 1.68 -4.26 2.46 5.66 -1.26 -4.72 114.28 113.83 3gtq n THR 68 Ca 0.00 -0.50 -0.15 0.00 -3.05 0.00 0.00 64.05 60.35 3gtq n THR 68 Cb 0.00 -0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 68.19 3gtq n THR 68 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3gtq s LEU 69 N 1.97 1.44 -0.39 1.09 1.43 -1.26 -5.00 118.68 117.96 3gtq s LEU 69 Ca 0.63 -1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 3gtq s LEU 69 Cb -0.60 0.32 0.04 0.00 0.03 0.00 0.00 46.19 45.97 3gtq s LEU 69 CO 0.58 -0.87 2.81 -0.38 0.23 0.00 0.00 176.35 178.72 3gtq n ILE 70 N -0.43 3.23 -0.83 -0.59 2.08 -1.26 -4.88 119.36 116.67 3gtq n ILE 70 Ca 0.02 -2.69 0.00 0.00 0.56 0.00 0.00 62.75 60.64 3gtq n ILE 70 Cb 0.65 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 3gtq n ILE 70 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3gtq n ILE 90 N 1.02 -1.19 -4.26 1.39 -0.00 -1.22 -5.23 119.36 109.87 3gtq n ILE 90 Ca 0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.91 3gtq n ILE 90 Cb 0.60 -2.18 -0.10 0.00 -0.00 0.00 0.00 39.64 37.96 3gtq n ILE 90 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3gtq s SER 91 N 0.00 4.57 0.02 4.38 1.04 -0.91 -4.30 113.70 118.51 3gtq s SER 91 Ca 0.00 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 3gtq s SER 91 Cb 0.00 -0.96 -0.05 0.00 0.10 0.00 0.00 66.02 65.11 3gtq s SER 91 CO 0.00 0.20 0.26 -0.36 0.98 0.00 0.00 173.24 174.32 3gtq s PHE 92 N -1.19 3.56 0.00 5.02 0.40 -1.26 0.04 117.98 124.56 3gtq s PHE 92 Ca 0.21 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 3gtq s PHE 92 Cb -0.11 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.46 3gtq s PHE 92 CO 0.13 0.60 0.00 0.41 0.70 0.00 0.00 175.22 177.06 3gtq n GLY 93 N 0.98 2.24 3.74 4.36 0.00 -0.71 -4.84 105.19 110.95 3gtq n GLY 93 Ca -0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3gtq n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtq s LYS 94 N 3.52 4.38 -0.22 1.61 -0.14 -1.26 -4.75 119.74 122.87 3gtq s LYS 94 Ca 0.00 2.07 -0.09 0.00 -1.36 0.00 0.00 55.97 56.59 3gtq s LYS 94 Cb 0.00 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 3gtq s LYS 94 CO 0.00 -0.27 0.12 -1.50 -0.76 0.00 0.00 175.35 172.94 3gtq s ILE 95 N 0.14 5.12 -0.12 2.17 2.07 -1.26 -1.76 121.20 127.57 3gtq s ILE 95 Ca 0.57 0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.89 3gtq s ILE 95 Cb -0.37 -3.36 -0.03 0.00 0.13 0.00 0.00 42.46 38.84 3gtq s ILE 95 CO 0.38 0.40 -0.05 -0.31 -1.91 0.00 0.00 174.94 173.45 3gtq s TYR 96 N 0.78 3.00 -0.10 3.50 1.51 0.62 -4.97 117.35 121.68 3gtq s TYR 96 Ca 0.06 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3gtq s TYR 96 Cb -0.13 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3gtq s TYR 96 CO 0.02 0.14 -0.15 0.14 -1.11 0.00 0.00 175.55 174.59 3gtq s VAL 97 N -0.19 2.93 0.44 0.71 -7.23 -1.26 -0.95 120.40 114.85 3gtq s VAL 97 Ca 0.03 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3gtq s VAL 97 Cb -0.13 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 3gtq s VAL 97 CO 0.02 0.55 0.66 -0.89 -0.31 0.00 0.00 175.10 175.13 3gtq s THR 98 N 0.01 4.01 -0.27 5.32 2.01 -0.58 -5.00 115.64 121.13 3gtq s THR 98 Ca -0.05 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 3gtq s THR 98 Cb -0.14 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.89 3gtq s THR 98 CO 0.04 -0.33 0.96 -0.54 -0.69 0.00 0.00 174.62 174.06 3gtq s LYS 99 N -4.53 4.13 0.01 4.92 1.02 -1.26 -4.37 119.74 119.66 3gtq s LYS 99 Ca 0.48 1.04 -0.04 0.00 0.02 0.00 0.00 55.97 57.47 3gtq s LYS 99 Cb -0.10 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 3gtq s LYS 99 CO 0.37 -0.70 0.11 -2.30 -0.92 0.00 0.00 175.35 171.91 3gtq n PRO 100 N 6.40 0.00 -4.13 -1.68 -0.02 -1.26 -4.80 135.00 129.51 3gtq n PRO 100 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.46 3gtq n PRO 100 Cb 0.47 -0.16 -0.09 0.00 -0.02 0.00 0.00 33.50 33.70 3gtq n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtq s MET 101 N -0.06 1.17 -0.09 -0.52 -1.94 -1.14 -2.82 119.30 113.90 3gtq s MET 101 Ca 0.10 -1.47 -0.03 0.00 -1.71 0.00 0.00 55.69 52.58 3gtq s MET 101 Cb -0.14 0.30 0.04 0.00 2.01 0.00 0.00 34.83 37.04 3gtq s MET 101 CO 0.07 -0.40 0.07 0.14 -0.01 0.00 0.00 175.02 174.90 3gtq s VAL 102 N -4.09 -0.08 -1.28 -6.03 -7.23 -0.52 -4.64 120.40 96.52 3gtq s VAL 102 Ca 0.30 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.56 3gtq s VAL 102 Cb 0.06 -0.32 0.16 0.00 0.56 0.00 0.00 36.38 36.83 3gtq s VAL 102 CO 0.07 0.01 1.82 -3.20 -0.31 0.00 0.00 175.10 173.49 3gtq n ASN 103 N 5.29 5.04 -4.71 4.85 2.85 -1.26 -2.35 115.26 124.96 3gtq n ASN 103 Ca -0.05 -3.07 -0.43 0.00 -0.11 0.00 0.00 54.58 50.92 3gtq n ASN 103 Cb 0.50 -1.51 -0.03 0.00 1.24 0.00 0.00 39.78 39.98 3gtq n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3gtq n GLU 104 N 4.39 2.48 -1.63 1.20 0.28 -1.26 -4.86 120.64 121.24 3gtq n GLU 104 Ca 0.40 0.89 -0.50 0.00 -0.16 0.00 0.00 57.16 57.79 3gtq n GLU 104 Cb 0.38 -2.66 -0.05 0.00 1.43 0.00 0.00 31.44 30.54 3gtq n GLU 104 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3gtq n SER 105 N 2.85 2.30 -3.30 -1.84 3.41 0.41 -2.76 113.62 114.70 3gtq n SER 105 Ca 0.13 1.10 -0.08 0.00 -0.26 0.00 0.00 58.87 59.75 3gtq n SER 105 Cb 0.34 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3gtq n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtq n ASP 106 N 3.03 -6.84 -3.41 4.04 2.03 -1.26 -4.71 116.55 109.42 3gtq n ASP 106 Ca 0.18 -0.35 0.03 0.00 0.52 0.00 0.00 54.79 55.17 3gtq n ASP 106 Cb 0.23 -4.12 0.01 0.00 -0.72 0.00 0.00 41.12 36.52 3gtq n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtq n GLY 107 N -1.69 0.21 3.92 0.27 0.00 -1.11 -5.13 105.19 101.66 3gtq n GLY 107 Ca -0.10 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 3gtq n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gtq s VAL 108 N -2.02 2.02 -0.16 1.61 -7.23 -1.26 -4.83 120.40 108.53 3gtq s VAL 108 Ca 0.26 -0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 3gtq s VAL 108 Cb -0.00 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 3gtq s VAL 108 CO -0.01 0.00 0.64 0.28 -0.31 0.00 0.00 175.10 175.70 3gtq s THR 109 N -3.69 5.04 -0.13 5.32 -1.32 -1.26 -4.00 115.64 115.59 3gtq s THR 109 Ca 0.68 1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 62.39 3gtq s THR 109 Cb -0.07 -3.96 -0.02 0.00 -1.51 0.00 0.00 72.50 66.94 3gtq s THR 109 CO 0.50 0.16 -0.10 -2.28 -2.21 0.00 0.00 174.62 170.69 3gtq s HIS 110 N 1.53 2.87 -0.49 9.09 5.04 -0.99 -4.94 115.29 127.39 3gtq s HIS 110 Ca 0.31 -0.51 -0.28 0.00 -1.54 0.00 0.00 55.06 53.04 3gtq s HIS 110 Cb -0.16 -1.86 0.01 0.00 0.04 0.00 0.00 32.58 30.61 3gtq s HIS 110 CO 0.12 -0.13 1.40 0.00 -2.34 0.00 0.00 174.74 173.80 3gtq s ALA 111 N 0.27 2.93 -0.14 1.58 0.00 -1.26 -1.44 121.76 123.70 3gtq s ALA 111 Ca -0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 3gtq s ALA 111 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 3gtq s ALA 111 CO 0.05 -2.66 0.38 -1.17 0.00 0.00 0.00 175.76 172.36 3gtq s LEU 112 N 5.72 4.27 0.29 0.00 2.96 -1.13 -5.00 118.68 125.79 3gtq s LEU 112 Ca 0.57 0.66 0.07 0.00 -0.22 0.00 0.00 54.13 55.20 3gtq s LEU 112 Cb -0.12 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 3gtq s LEU 112 CO 0.29 0.07 0.24 -0.31 -1.32 0.00 0.00 176.35 175.32 3gtq s TYR 113 N 0.47 3.02 0.10 5.38 4.12 -1.26 -4.78 117.35 124.40 3gtq s TYR 113 Ca 0.21 -0.19 -0.33 0.00 0.02 0.00 0.00 57.07 56.78 3gtq s TYR 113 Cb -0.14 -1.57 -0.14 0.00 -1.52 0.00 0.00 41.96 38.59 3gtq s TYR 113 CO 0.07 0.37 1.52 -1.00 0.02 0.00 0.00 175.55 176.54 3gtq h PRO 114 N 1.38 -0.68 -0.75 -1.71 0.13 -1.99 -2.26 132.00 126.13 3gtq h PRO 114 Ca -0.47 0.05 0.17 0.00 -0.87 0.00 0.00 66.00 64.88 3gtq h PRO 114 Cb 1.25 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.40 3gtq h PRO 114 CO 0.60 -0.45 -0.02 0.37 -0.23 0.00 0.00 178.00 178.26 3gtq h GLN 115 N -0.71 0.08 -0.78 0.86 5.75 -1.93 0.30 115.11 118.68 3gtq h GLN 115 Ca -0.00 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3gtq h GLN 115 Cb 0.72 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 3gtq h GLN 115 CO -0.28 0.05 0.50 1.49 -2.65 0.00 0.00 178.83 177.94 3gtq h GLU 116 N 0.08 0.94 -0.23 1.69 4.81 -1.76 -3.04 114.58 117.07 3gtq h GLU 116 Ca 0.40 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3gtq h GLU 116 Cb 0.70 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3gtq h GLU 116 CO -0.68 0.62 0.13 0.00 -0.73 0.00 0.00 179.01 178.35 3gtq h ALA 117 N 1.33 0.30 -0.90 2.92 0.00 -0.04 -1.63 119.26 121.23 3gtq h ALA 117 Ca 0.31 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.29 3gtq h ALA 117 Cb 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3gtq h ALA 117 CO -0.11 -0.17 0.58 0.00 0.00 0.00 0.00 179.25 179.54 3gtq h ARG 118 N 0.27 0.75 0.05 0.00 3.08 -1.39 -1.32 114.38 115.82 3gtq h ARG 118 Ca 0.08 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 3gtq h ARG 118 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3gtq h ARG 118 CO -0.01 0.50 -0.56 -0.07 -1.07 0.00 0.00 179.97 178.75 3gtq h LEU 119 N 0.77 0.17 -4.67 3.04 3.38 -1.22 -3.33 115.31 113.45 3gtq h LEU 119 Ca 0.45 -0.90 -0.71 0.00 0.09 0.00 0.00 57.88 56.81 3gtq h LEU 119 Cb 0.62 -0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.06 3gtq h LEU 119 CO -0.21 1.25 0.93 -2.11 0.09 0.00 0.00 178.44 178.39 3gtq n ARG 120 N -4.37 2.67 -2.39 1.13 1.85 -0.86 -4.89 116.66 109.81 3gtq n ARG 120 Ca -0.16 -3.28 -0.03 0.00 -1.00 0.00 0.00 57.85 53.38 3gtq n ARG 120 Cb 0.65 -2.24 -0.01 0.00 -1.05 0.00 0.00 32.46 29.82 3gtq n ARG 120 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gtq n ASN 121 N -0.45 -0.93 -3.49 2.89 5.03 -1.21 -4.72 115.26 112.38 3gtq n ASN 121 Ca 0.55 0.31 -0.24 0.00 0.87 0.00 0.00 54.58 56.07 3gtq n ASN 121 Cb 0.37 -0.91 0.17 0.00 -1.02 0.00 0.00 39.78 38.40 3gtq n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3gtq n LEU 122 N -2.28 0.00 -3.94 3.41 4.77 -0.50 -3.32 117.00 115.14 3gtq n LEU 122 Ca 0.01 -1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 54.56 3gtq n LEU 122 Cb 0.43 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.55 3gtq n LEU 122 CO 0.07 -1.43 -0.38 -0.89 -1.33 0.00 0.00 177.39 173.43 3gtq s THR 123 N -3.17 1.74 -1.12 -5.08 2.01 -1.26 -0.44 115.64 108.31 3gtq s THR 123 Ca 0.60 -1.69 -0.24 0.00 0.31 0.00 0.00 61.69 60.67 3gtq s THR 123 Cb -0.03 -2.13 -0.12 0.00 0.01 0.00 0.00 72.50 70.23 3gtq s THR 123 CO 0.43 -0.37 2.00 -0.47 -0.69 0.00 0.00 174.62 175.52 3gtq s TYR 124 N 1.23 1.71 -0.04 4.92 5.04 -1.13 -4.84 117.35 124.25 3gtq s TYR 124 Ca 0.03 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 3gtq s TYR 124 Cb -0.19 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.33 3gtq s TYR 124 CO -0.10 -1.13 -0.08 0.45 -1.34 0.00 0.00 175.55 173.35 3gtq s SER 125 N 7.35 1.22 0.62 4.32 0.15 -1.26 -1.89 113.70 124.21 3gtq s SER 125 Ca 0.73 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 3gtq s SER 125 Cb -0.03 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3gtq s SER 125 CO 0.13 0.02 0.89 -0.94 1.20 0.00 0.00 173.24 174.55 3gtq s SER 126 N 0.49 5.13 0.14 5.45 1.04 0.82 -2.91 113.70 123.86 3gtq s SER 126 Ca -0.08 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 3gtq s SER 126 Cb -0.12 -1.11 -0.07 0.00 0.10 0.00 0.00 66.02 64.83 3gtq s SER 126 CO 0.01 -1.32 1.05 -0.83 0.98 0.00 0.00 173.24 173.13 3gtq s GLY 127 N -4.44 2.89 -0.28 7.32 0.00 -1.26 -3.16 107.32 108.38 3gtq s GLY 127 Ca 0.58 0.72 -0.02 0.00 0.00 0.00 0.00 44.72 46.00 3gtq s GLY 127 CO 0.42 1.60 -0.03 -2.27 0.00 0.00 0.00 173.10 172.82 3gtq s LEU 128 N -0.14 3.59 -0.05 0.66 2.96 -0.94 -1.53 118.68 123.24 3gtq s LEU 128 Ca 0.49 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3gtq s LEU 128 Cb -0.27 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.73 3gtq s LEU 128 CO 0.32 -0.20 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.64 3gtq s PHE 129 N 1.28 1.57 0.17 5.38 0.40 -0.13 -0.79 117.98 125.87 3gtq s PHE 129 Ca -0.03 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 3gtq s PHE 129 Cb -0.18 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 3gtq s PHE 129 CO -0.02 -0.18 -0.14 0.08 0.70 0.00 0.00 175.22 175.66 3gtq s VAL 130 N 0.18 1.52 -0.31 -0.44 1.01 -0.47 0.23 120.40 122.11 3gtq s VAL 130 Ca -0.06 -2.04 -0.11 0.00 0.00 0.00 0.00 61.98 59.77 3gtq s VAL 130 Cb -0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3gtq s VAL 130 CO 0.02 -0.57 0.20 1.51 0.00 0.00 0.00 175.10 176.26 3gtq s ASP 131 N -3.03 5.91 -0.13 3.32 1.47 -0.72 -1.23 116.67 122.27 3gtq s ASP 131 Ca 0.17 -0.26 -0.28 0.00 1.18 0.00 0.00 52.55 53.37 3gtq s ASP 131 Cb -0.01 -2.10 -0.01 0.00 -0.34 0.00 0.00 42.92 40.46 3gtq s ASP 131 CO 0.04 -0.14 0.94 0.68 0.68 0.00 0.00 175.17 177.37 3gtq s VAL 132 N 1.72 4.82 -0.07 2.11 -7.23 -1.26 -1.74 120.40 118.75 3gtq s VAL 132 Ca 0.06 1.89 -0.13 0.00 -1.81 0.00 0.00 61.98 61.99 3gtq s VAL 132 Cb -0.17 -4.25 -0.05 0.00 0.56 0.00 0.00 36.38 32.48 3gtq s VAL 132 CO 0.10 0.02 0.33 -0.54 -0.31 0.00 0.00 175.10 174.69 3gtq s LYS 133 N 2.02 3.91 0.00 4.82 1.02 0.11 -4.94 119.74 126.69 3gtq s LYS 133 Ca 0.45 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3gtq s LYS 133 Cb -0.18 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3gtq s LYS 133 CO 0.16 0.58 0.21 0.36 -0.92 0.00 0.00 175.35 175.73 3gtq n LYS 134 N 2.35 0.36 0.00 1.68 0.00 -1.26 -2.13 118.16 119.17 3gtq n LYS 134 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 3gtq n LYS 134 Cb 0.53 -1.20 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 3gtq n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3gtq n LYS 164 N 0.39 0.00 -4.77 -1.58 4.81 -1.19 -4.18 118.16 111.65 3gtq n LYS 164 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 3gtq n LYS 164 Cb 0.10 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.03 3gtq n LYS 164 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gtq s VAL 165 N 0.00 2.90 -0.24 3.15 0.11 -0.36 -4.99 120.40 120.97 3gtq s VAL 165 Ca 0.00 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 57.92 3gtq s VAL 165 Cb 0.00 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 3gtq s VAL 165 CO 0.00 0.44 0.29 0.12 -3.33 0.00 0.00 175.10 172.62 3gtq s PHE 166 N -0.85 3.31 -0.48 1.54 5.36 -1.26 -1.37 117.98 124.23 3gtq s PHE 166 Ca 0.14 0.38 0.04 0.00 -0.96 0.00 0.00 56.93 56.53 3gtq s PHE 166 Cb -0.11 -2.43 0.41 0.00 -0.34 0.00 0.00 43.02 40.56 3gtq s PHE 166 CO 0.03 -0.05 1.18 -0.89 -1.46 0.00 0.00 175.22 174.04 3gtq n ILE 167 N 4.56 2.51 -4.15 3.12 2.08 0.03 -4.75 119.36 122.76 3gtq n ILE 167 Ca -0.11 -4.92 0.00 0.00 0.56 0.00 0.00 62.75 58.28 3gtq n ILE 167 Cb 0.51 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.13 3gtq n ILE 167 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gtq n GLY 168 N -0.47 -1.58 3.00 7.39 0.00 -1.25 -4.79 105.19 107.49 3gtq n GLY 168 Ca 0.40 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3gtq n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtq s ARG 169 N 0.00 1.68 -0.07 1.61 3.00 -1.26 -2.22 118.95 121.69 3gtq s ARG 169 Ca 0.00 -1.48 -0.27 0.00 0.00 0.00 0.00 55.73 53.98 3gtq s ARG 169 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 34.95 32.03 3gtq s ARG 169 CO 0.00 -0.77 0.86 -1.17 0.00 0.00 0.00 175.30 174.22 3gtq s LEU 170 N 1.11 4.30 0.13 2.53 2.96 -1.19 -4.55 118.68 123.98 3gtq s LEU 170 Ca 0.02 1.38 -0.30 0.00 -0.22 0.00 0.00 54.13 55.01 3gtq s LEU 170 Cb -0.19 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 3gtq s LEU 170 CO -0.08 -0.26 0.99 -2.16 -1.32 0.00 0.00 176.35 173.51 3gtq s PRO 171 N 1.30 4.69 0.26 0.98 0.04 -1.26 -0.13 135.00 140.88 3gtq s PRO 171 Ca 0.44 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3gtq s PRO 171 Cb -0.19 -3.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 3gtq s PRO 171 CO 0.20 0.21 0.69 0.42 0.04 0.00 0.00 177.00 178.56 3gtq s ILE 172 N -0.14 4.70 -0.17 0.56 -1.09 -0.79 -4.86 121.20 119.40 3gtq s ILE 172 Ca 0.47 0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 59.59 3gtq s ILE 172 Cb -0.25 -3.71 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3gtq s ILE 172 CO 0.31 0.01 0.98 -0.32 -1.23 0.00 0.00 174.94 174.69 3gtq s MET 173 N -2.49 4.32 0.63 2.79 1.75 -1.26 -4.53 119.30 120.51 3gtq s MET 173 Ca 0.47 1.29 -0.18 0.00 -1.25 0.00 0.00 55.69 56.02 3gtq s MET 173 Cb -0.13 -3.59 -0.04 0.00 2.84 0.00 0.00 34.83 33.91 3gtq s MET 173 CO 0.19 -0.45 0.88 -0.11 -0.65 0.00 0.00 175.02 174.88 3gtq n LEU 174 N 5.62 3.18 0.00 4.11 7.94 0.43 -1.35 117.00 136.93 3gtq n LEU 174 Ca 0.09 0.75 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 3gtq n LEU 174 Cb 0.48 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3gtq n LEU 174 CO 0.51 -2.13 0.00 -1.14 -1.11 0.00 0.00 177.39 173.52 3gtq n ARG 175 N -1.07 0.00 0.00 1.96 3.00 -1.26 -4.44 116.66 114.85 3gtq n ARG 175 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 3gtq n ARG 175 Cb 0.48 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 30.29 3gtq n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3gtq n SER 176 N 0.00 0.00 0.00 6.15 3.41 -0.46 -4.17 113.62 118.56 3gtq n SER 176 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gtq n SER 176 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gtq n SER 176 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3gtq n LYS 177 N 0.00 0.00 0.10 4.33 4.81 -1.26 -4.75 118.16 121.39 3gtq n LYS 177 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3gtq n LYS 177 Cb 0.00 -0.27 0.27 0.00 0.02 0.00 0.00 35.03 35.05 3gtq n LYS 177 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3gtq h ASN 178 N 0.00 0.23 -3.90 3.14 4.21 -1.93 -3.45 115.58 113.88 3gtq h ASN 178 Ca 0.00 -0.08 -0.51 0.00 1.21 0.00 0.00 56.30 56.91 3gtq h ASN 178 Cb 0.06 -0.06 0.05 0.00 -1.12 0.00 0.00 38.32 37.25 3gtq h ASN 178 CO 0.00 0.57 0.53 0.00 -1.29 0.00 0.00 177.43 177.24 3gtq h TYR 180 N 3.01 0.00 0.00 0.00 -1.99 -1.93 0.11 116.97 116.17 3gtq h TYR 180 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3gtq h TYR 180 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 3gtq h TYR 180 CO 0.56 0.04 0.00 -0.07 -0.00 0.00 0.00 178.16 178.69 3gtq h LEU 181 N 0.00 0.00 -1.94 3.88 4.07 -1.91 -3.28 115.31 116.13 3gtq h LEU 181 Ca -0.00 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.16 3gtq h LEU 181 Cb 0.12 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 3gtq h LEU 181 CO 0.00 0.00 0.52 0.28 -1.08 0.00 0.00 178.44 178.16 3gtq h SER 182 N 0.00 0.05 -0.07 -0.43 0.02 -0.94 -0.23 113.55 111.96 3gtq h SER 182 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gtq h SER 182 Cb 0.47 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3gtq h SER 182 CO 0.00 0.02 0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 3gtq n GLU 183 N -4.35 1.77 -2.35 3.45 4.71 -1.24 -5.01 120.64 117.62 3gtq n GLU 183 Ca 0.14 -1.33 -0.42 0.00 -0.01 0.00 0.00 57.16 55.54 3gtq n GLU 183 Cb 0.76 -1.07 -0.03 0.00 -1.01 0.00 0.00 31.44 30.09 3gtq n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gtq s ALA 184 N -0.75 3.49 0.56 0.62 0.00 -0.10 -5.03 121.76 120.56 3gtq s ALA 184 Ca 0.06 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 3gtq s ALA 184 Cb 0.03 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3gtq s ALA 184 CO 0.04 -0.68 1.07 0.95 0.00 0.00 0.00 175.76 177.14 3gtq s THR 185 N 1.77 3.64 0.02 0.00 -4.23 -1.26 -4.90 115.64 110.69 3gtq s THR 185 Ca 0.60 0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 61.92 3gtq s THR 185 Cb -0.29 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 3gtq s THR 185 CO 0.26 -0.36 1.10 -0.08 -0.54 0.00 0.00 174.62 175.01 3gtq h GLU 186 N 0.82 -0.14 -0.98 3.99 4.81 -2.00 -1.99 114.58 119.09 3gtq h GLU 186 Ca -0.48 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3gtq h GLU 186 Cb 1.23 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.52 3gtq h GLU 186 CO 0.57 -0.09 -0.57 -1.13 -0.73 0.00 0.00 179.01 177.06 3gtq n SER 187 N -3.02 -1.03 -0.06 1.04 3.41 -1.26 0.05 113.62 112.75 3gtq n SER 187 Ca -0.02 1.74 0.23 0.00 -0.26 0.00 0.00 58.87 60.56 3gtq n SER 187 Cb 0.08 -0.23 0.52 0.00 -0.26 0.00 0.00 64.21 64.32 3gtq n SER 187 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3gtq h ASP 188 N 0.00 0.00 -0.00 4.04 -0.00 -1.76 1.01 116.42 119.71 3gtq h ASP 188 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.19 3gtq h ASP 188 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3gtq h ASP 188 CO -0.92 0.00 -0.00 -0.07 -0.00 0.00 0.00 179.24 178.25 3gtq h LEU 189 N 0.00 0.01 -0.89 2.28 4.07 0.11 -2.78 115.31 118.11 3gtq h LEU 189 Ca 0.35 -0.67 0.23 0.00 0.08 0.00 0.00 57.88 57.87 3gtq h LEU 189 Cb 2.23 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.83 3gtq h LEU 189 CO -0.00 0.68 0.32 1.88 -1.08 0.00 0.00 178.44 180.24 3gtq h TYR 190 N -0.66 0.52 -0.20 1.13 -1.99 0.12 0.48 116.97 116.36 3gtq h TYR 190 Ca -0.00 0.04 0.05 0.00 2.00 0.00 0.00 58.73 60.83 3gtq h TYR 190 Cb 0.68 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.26 3gtq h TYR 190 CO 0.16 -0.13 -0.17 0.87 -0.00 0.00 0.00 178.16 178.89 3gtq h LYS 191 N 0.30 -0.18 0.00 4.88 1.79 -1.45 0.47 116.57 122.38 3gtq h LYS 191 Ca 0.56 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3gtq h LYS 191 Cb 1.11 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3gtq h LYS 191 CO -0.59 -0.12 0.00 1.28 -1.08 0.00 0.00 179.45 178.94 3gtq n LEU 192 N -5.32 0.00 -0.71 2.94 4.77 0.15 -4.83 117.00 114.00 3gtq n LEU 192 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3gtq n LEU 192 Cb 0.24 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3gtq n LEU 192 CO 0.19 0.00 -0.09 0.29 -1.33 0.00 0.00 177.39 176.45 3gtq n LYS 193 N -0.78 -1.36 -3.83 3.23 5.02 0.15 -4.41 118.16 116.19 3gtq n LYS 193 Ca 0.07 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.78 3gtq n LYS 193 Cb 0.03 -4.99 -0.06 0.00 -0.02 0.00 0.00 35.03 29.99 3gtq n LYS 193 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3gtq s GLU 194 N -2.61 3.58 0.12 1.97 -6.30 -1.01 -4.89 118.70 109.57 3gtq s GLU 194 Ca 0.00 -0.10 -0.31 0.00 -2.50 0.00 0.00 54.97 52.06 3gtq s GLU 194 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 34.13 30.82 3gtq s GLU 194 CO 0.00 0.70 1.42 0.00 0.02 0.00 0.00 175.26 177.40 3gtq n PRO 196 N 3.98 0.19 0.11 0.00 -0.04 -1.26 -1.43 135.00 136.55 3gtq n PRO 196 Ca 0.12 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.03 3gtq n PRO 196 Cb 0.42 -1.85 0.01 0.00 -0.04 0.00 0.00 33.50 32.04 3gtq n PRO 196 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3gtq h PHE 197 N 0.00 0.00 -2.34 0.54 -1.00 -1.99 -3.46 116.94 108.69 3gtq h PHE 197 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 3gtq h PHE 197 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3gtq h PHE 197 CO 0.00 0.30 1.29 0.34 -1.61 0.00 0.00 178.31 178.63 3gtq s ASP 198 N -5.92 6.11 0.19 2.17 2.15 -0.51 -4.81 116.67 116.05 3gtq s ASP 198 Ca 0.01 2.17 0.21 0.00 0.43 0.00 0.00 52.55 55.38 3gtq s ASP 198 Cb 0.08 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 3gtq s ASP 198 CO 0.76 -1.40 1.04 0.00 -0.17 0.00 0.00 175.17 175.41 3gtq h MET 199 N 12.08 0.00 -5.81 4.34 -0.00 -1.89 -3.48 114.93 120.16 3gtq h MET 199 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.27 3gtq h MET 199 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 3gtq h MET 199 CO 0.96 0.05 -0.97 0.41 -0.00 0.00 0.00 176.91 177.37 3gtq n GLY 200 N 1.21 -1.96 0.94 -3.00 0.00 -1.26 -4.84 105.19 96.28 3gtq n GLY 200 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3gtq n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtq n GLY 201 N 1.17 4.83 3.71 -0.02 0.00 -1.26 -4.21 105.19 109.41 3gtq n GLY 201 Ca -0.02 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 3gtq n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gtq n TYR 202 N -1.07 -0.05 -4.36 1.61 0.18 -1.26 -4.75 117.16 107.46 3gtq n TYR 202 Ca 0.28 -2.36 -0.26 0.00 1.88 0.00 0.00 57.90 57.44 3gtq n TYR 202 Cb 0.93 -0.41 -0.10 0.00 -0.38 0.00 0.00 39.34 39.37 3gtq n TYR 202 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3gtq s PHE 203 N -2.73 2.46 -0.14 -3.48 0.40 -0.79 -0.43 117.98 113.27 3gtq s PHE 203 Ca 0.21 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 3gtq s PHE 203 Cb -0.02 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 3gtq s PHE 203 CO 0.13 0.53 0.11 0.42 0.70 0.00 0.00 175.22 177.11 3gtq s ILE 204 N -1.78 5.21 -0.07 0.64 1.09 -1.26 0.13 121.20 125.16 3gtq s ILE 204 Ca 0.24 0.10 -0.03 0.00 -1.10 0.00 0.00 60.65 59.86 3gtq s ILE 204 Cb -0.08 -3.29 0.04 0.00 -1.06 0.00 0.00 42.46 38.07 3gtq s ILE 204 CO 0.13 0.56 0.14 -0.63 -0.10 0.00 0.00 174.94 175.05 3gtq s ILE 205 N -0.57 -0.07 -1.19 2.92 -1.09 -0.99 -2.82 121.20 117.38 3gtq s ILE 205 Ca 0.12 0.20 -0.09 0.00 -2.23 0.00 0.00 60.65 58.65 3gtq s ILE 205 Cb -0.12 -0.24 0.07 0.00 -1.58 0.00 0.00 42.46 40.59 3gtq s ILE 205 CO 0.02 0.08 0.41 0.59 -1.23 0.00 0.00 174.94 174.81 3gtq n ASN 206 N 4.34 -3.33 0.00 3.58 3.02 -0.55 -1.81 115.26 120.52 3gtq n ASN 206 Ca -0.24 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3gtq n ASN 206 Cb 0.51 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 3gtq n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtq n GLY 207 N -1.07 1.92 3.73 7.41 0.00 0.41 -4.68 105.19 112.91 3gtq n GLY 207 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3gtq n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtq s SER 208 N 0.00 6.74 0.85 1.61 1.04 -0.75 -4.49 113.70 118.70 3gtq s SER 208 Ca 0.00 2.53 -0.12 0.00 0.48 0.00 0.00 55.95 58.84 3gtq s SER 208 Cb 0.00 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.62 3gtq s SER 208 CO 0.00 -0.66 1.18 -1.61 0.98 0.00 0.00 173.24 173.13 3gtq s GLU 209 N 0.17 1.37 -0.04 4.02 2.02 -1.26 -2.35 118.70 122.63 3gtq s GLU 209 Ca 0.61 1.68 -0.02 0.00 0.02 0.00 0.00 54.97 57.26 3gtq s GLU 209 Cb -0.40 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.10 3gtq s GLU 209 CO 0.38 -2.40 0.08 0.15 0.02 0.00 0.00 175.26 173.49 3gtq s LYS 210 N -4.35 0.06 -0.11 1.61 -0.14 0.12 -3.90 119.74 113.03 3gtq s LYS 210 Ca 0.71 0.20 -0.04 0.00 -1.36 0.00 0.00 55.97 55.48 3gtq s LYS 210 Cb -0.26 -0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 35.76 3gtq s LYS 210 CO 0.54 -0.09 0.03 0.08 -0.76 0.00 0.00 175.35 175.14 3gtq s VAL 211 N 0.63 4.55 -0.39 3.17 1.01 0.22 -1.89 120.40 127.70 3gtq s VAL 211 Ca -0.05 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3gtq s VAL 211 Cb -0.07 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3gtq s VAL 211 CO -0.02 0.58 0.57 -0.76 0.00 0.00 0.00 175.10 175.46 3gtq s LEU 212 N -0.67 4.46 -0.00 3.92 1.43 -1.26 -1.17 118.68 125.38 3gtq s LEU 212 Ca 0.11 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 3gtq s LEU 212 Cb -0.12 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3gtq s LEU 212 CO 0.02 -0.62 0.90 -0.63 0.23 0.00 0.00 176.35 176.26 3gtq s ILE 213 N 2.55 4.86 0.07 -0.59 -1.09 -1.26 -4.58 121.20 121.16 3gtq s ILE 213 Ca 0.20 1.89 -0.30 0.00 -2.23 0.00 0.00 60.65 60.21 3gtq s ILE 213 Cb -0.15 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 3gtq s ILE 213 CO 0.16 0.21 1.92 0.00 -1.23 0.00 0.00 174.94 176.00 3gtq s ALA 214 N 0.79 3.64 0.36 9.38 0.00 -1.13 -4.81 121.76 129.99 3gtq s ALA 214 Ca 0.47 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.74 3gtq s ALA 214 Cb -0.20 -3.82 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 3gtq s ALA 214 CO 0.26 -1.46 0.66 -0.65 0.00 0.00 0.00 175.76 174.56 3gtq s GLN 215 N 3.90 3.65 -0.04 0.00 -1.52 -0.08 -1.64 119.66 123.94 3gtq s GLN 215 Ca 0.86 0.15 0.05 0.00 -1.95 0.00 0.00 55.36 54.47 3gtq s GLN 215 Cb -0.44 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 3gtq s GLN 215 CO 0.40 0.06 -0.18 -2.00 -0.25 0.00 0.00 175.29 173.31 3gtq s GLU 216 N -3.92 2.36 -0.25 2.91 2.12 -0.72 0.90 118.70 122.10 3gtq s GLU 216 Ca 0.46 -0.78 -0.25 0.00 0.36 0.00 0.00 54.97 54.76 3gtq s GLU 216 Cb -0.10 -2.26 0.07 0.00 0.26 0.00 0.00 34.13 32.10 3gtq s GLU 216 CO 0.33 0.60 0.73 -0.98 -0.54 0.00 0.00 175.26 175.41 3gtq s ARG 217 N -0.70 0.84 0.24 4.30 1.70 -0.73 -4.54 118.95 120.05 3gtq s ARG 217 Ca 0.11 0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 55.98 3gtq s ARG 217 Cb -0.10 0.41 -0.13 0.00 -0.57 0.00 0.00 34.95 34.56 3gtq s ARG 217 CO 0.00 -0.12 1.57 -1.13 -1.08 0.00 0.00 175.30 174.54 3gtq n SER 218 N 2.53 3.46 -4.47 -2.89 3.41 -1.26 -0.03 113.62 114.37 3gtq n SER 218 Ca -0.14 1.12 -0.29 0.00 -0.26 0.00 0.00 58.87 59.29 3gtq n SER 218 Cb 0.55 -1.52 0.18 0.00 -0.26 0.00 0.00 64.21 63.17 3gtq n SER 218 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtq s ALA 219 N 0.39 1.23 0.40 7.33 0.00 -1.07 -4.73 121.76 125.32 3gtq s ALA 219 Ca 0.70 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.11 3gtq s ALA 219 Cb -0.57 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3gtq s ALA 219 CO 0.43 -2.81 0.43 0.20 0.00 0.00 0.00 175.76 174.01 3gtq s GLY 220 N -3.87 2.01 0.00 0.00 0.00 -1.26 -4.70 107.32 99.50 3gtq s GLY 220 Ca 0.67 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3gtq s GLY 220 CO 0.55 -1.60 0.00 0.70 0.00 0.00 0.00 173.10 172.75 3gtq n ASN 221 N -1.62 -2.35 -4.22 1.64 4.13 0.54 -4.90 115.26 108.48 3gtq n ASN 221 Ca 0.04 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.05 3gtq n ASN 221 Cb 0.60 -0.74 -0.14 0.00 -1.54 0.00 0.00 39.78 37.96 3gtq n ASN 221 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3gtq s ILE 222 N -2.40 1.54 0.00 2.41 -0.00 -1.26 -4.54 121.20 116.94 3gtq s ILE 222 Ca 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 60.65 59.58 3gtq s ILE 222 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 42.46 41.13 3gtq s ILE 222 CO 0.00 0.23 0.00 0.52 -0.00 0.00 0.00 174.94 175.69 3gtq n VAL 223 N 2.05 0.00 -4.14 8.37 0.31 -0.72 -3.93 118.33 120.27 3gtq n VAL 223 Ca -0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 3gtq n VAL 223 Cb 0.54 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.37 3gtq n VAL 223 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gtq s GLN 224 N -1.00 0.79 -0.08 5.55 -0.21 -0.90 -4.99 119.66 118.81 3gtq s GLN 224 Ca 0.00 -1.33 0.04 0.00 0.02 0.00 0.00 55.36 54.09 3gtq s GLN 224 Cb 0.00 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.06 3gtq s GLN 224 CO 0.00 -0.12 -0.20 0.14 -2.12 0.00 0.00 175.29 172.99 3gtq s VAL 225 N -3.83 1.74 -0.30 1.09 -7.23 -1.26 -1.46 120.40 109.14 3gtq s VAL 225 Ca 0.13 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 3gtq s VAL 225 Cb 0.07 -1.51 0.08 0.00 0.56 0.00 0.00 36.38 35.58 3gtq s VAL 225 CO -0.05 0.49 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.85 3gtq s PHE 226 N 0.35 3.54 -0.06 2.82 2.99 0.33 -1.73 117.98 126.23 3gtq s PHE 226 Ca -0.15 -2.71 -0.29 0.00 0.00 0.00 0.00 56.93 53.78 3gtq s PHE 226 Cb -0.16 -2.49 -0.07 0.00 0.00 0.00 0.00 43.02 40.30 3gtq s PHE 226 CO 0.06 -0.92 2.06 0.15 -0.00 0.00 0.00 175.22 176.57 3gtq s LYS 227 N 0.99 3.77 -0.06 0.44 1.02 -1.26 -3.18 119.74 121.45 3gtq s LYS 227 Ca 0.02 2.39 -0.06 0.00 0.02 0.00 0.00 55.97 58.34 3gtq s LYS 227 Cb -0.19 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.84 3gtq s LYS 227 CO -0.07 -1.38 0.18 0.15 -0.92 0.00 0.00 175.35 173.31 3gtq s LYS 228 N 5.16 3.47 0.80 1.68 1.02 -0.28 -5.04 119.74 126.56 3gtq s LYS 228 Ca 0.93 -0.17 -0.14 0.00 0.02 0.00 0.00 55.97 56.61 3gtq s LYS 228 Cb -0.39 -3.15 -0.12 0.00 -0.52 0.00 0.00 37.83 33.65 3gtq s LYS 228 CO 0.39 0.73 -0.64 0.00 -0.92 0.00 0.00 175.35 174.91 3gtq n ALA 229 N 1.53 -4.87 -0.11 5.17 0.00 -1.26 -4.80 120.51 116.17 3gtq n ALA 229 Ca -0.16 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 3gtq n ALA 229 Cb 0.54 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3gtq n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtq h ALA 230 N -0.78 0.42 0.00 0.00 0.00 -1.98 -2.98 119.26 113.95 3gtq h ALA 230 Ca -0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gtq h ALA 230 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gtq h ALA 230 CO 0.20 0.13 0.00 -0.35 0.00 0.00 0.00 179.25 179.22 3gtq n PRO 231 N -4.60 0.81 -3.93 0.00 -0.04 -1.26 -4.51 135.00 121.47 3gtq n PRO 231 Ca -0.02 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.09 3gtq n PRO 231 Cb 0.22 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 3gtq n PRO 231 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gtq s SER 232 N -0.14 4.59 0.62 3.54 1.04 -1.13 -4.98 113.70 117.24 3gtq s SER 232 Ca 0.00 -0.31 0.33 0.00 0.48 0.00 0.00 55.95 56.45 3gtq s SER 232 Cb 0.00 -1.80 1.87 0.00 0.10 0.00 0.00 66.02 66.19 3gtq s SER 232 CO 0.00 -0.00 2.18 1.55 0.98 0.00 0.00 173.24 177.95 3gtq h PRO 233 N 7.98 0.00 -6.12 4.02 0.13 -1.87 -3.39 132.00 132.75 3gtq h PRO 233 Ca -0.39 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 3gtq h PRO 233 Cb 1.17 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3gtq h PRO 233 CO 0.60 0.00 0.85 0.96 -0.23 0.00 0.00 178.00 180.18 3gtq s ILE 234 N -4.47 4.48 0.00 -3.56 -0.00 -1.26 0.60 121.20 116.99 3gtq s ILE 234 Ca -0.05 1.79 0.00 0.00 -0.00 0.00 0.00 60.65 62.39 3gtq s ILE 234 Cb 0.14 -4.16 0.00 0.00 -0.00 0.00 0.00 42.46 38.44 3gtq s ILE 234 CO 0.49 -0.17 0.00 -0.24 -0.00 0.00 0.00 174.94 175.02 3gtq n SER 235 N 6.48 0.00 -4.65 4.36 2.88 0.15 -4.64 113.62 118.21 3gtq n SER 235 Ca 0.13 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.57 3gtq n SER 235 Cb 0.45 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 3gtq n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3gtq s HIS 236 N -0.50 2.81 -0.01 0.66 3.76 -1.14 -1.12 115.29 119.74 3gtq s HIS 236 Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3gtq s HIS 236 Cb 0.00 -1.36 0.02 0.00 1.11 0.00 0.00 32.58 32.35 3gtq s HIS 236 CO 0.00 0.52 0.02 0.08 -0.85 0.00 0.00 174.74 174.51 3gtq s VAL 237 N -1.74 -0.03 -0.40 -0.90 1.01 -1.19 0.46 120.40 117.61 3gtq s VAL 237 Ca 0.27 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 3gtq s VAL 237 Cb -0.09 -0.06 0.04 0.00 0.00 0.00 0.00 36.38 36.27 3gtq s VAL 237 CO 0.18 0.06 0.24 0.00 0.00 0.00 0.00 175.10 175.58 3gtq s ALA 238 N 0.67 3.33 0.19 5.51 0.00 -0.56 -0.51 121.76 130.38 3gtq s ALA 238 Ca -0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 3gtq s ALA 238 Cb -0.08 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 3gtq s ALA 238 CO -0.02 -1.48 0.41 -2.00 0.00 0.00 0.00 175.76 172.67 3gtq s GLU 239 N 1.55 3.58 -0.29 0.00 2.12 -0.54 -1.00 118.70 124.13 3gtq s GLU 239 Ca 0.03 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.19 3gtq s GLU 239 Cb -0.20 -2.82 0.18 0.00 0.26 0.00 0.00 34.13 31.55 3gtq s GLU 239 CO 0.06 0.40 0.51 -1.50 -0.54 0.00 0.00 175.26 174.20 3gtq s ILE 240 N -1.81 -0.84 -0.33 -3.70 -1.16 -0.42 -1.75 121.20 111.20 3gtq s ILE 240 Ca 0.40 -0.10 -0.29 0.00 -0.51 0.00 0.00 60.65 60.15 3gtq s ILE 240 Cb -0.11 -0.98 -0.01 0.00 0.61 0.00 0.00 42.46 41.97 3gtq s ILE 240 CO 0.27 -0.11 1.52 -0.13 -2.81 0.00 0.00 174.94 173.69 3gtq s ARG 241 N 2.71 3.65 -0.19 3.50 0.52 -1.25 -2.35 118.95 125.53 3gtq s ARG 241 Ca 0.12 1.28 -0.03 0.00 -0.52 0.00 0.00 55.73 56.58 3gtq s ARG 241 Cb -0.12 -4.03 -0.01 0.00 0.52 0.00 0.00 34.95 31.30 3gtq s ARG 241 CO -0.25 -1.47 -0.07 -1.54 0.02 0.00 0.00 175.30 171.99 3gtq s SER 242 N 4.22 4.20 0.05 0.23 1.04 -1.26 -0.34 113.70 121.84 3gtq s SER 242 Ca 0.67 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.58 3gtq s SER 242 Cb -0.19 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.25 3gtq s SER 242 CO 0.30 0.03 0.31 0.00 0.98 0.00 0.00 173.24 174.86 3gtq s ALA 243 N 1.14 -0.69 -0.17 5.32 0.00 -1.26 -2.65 121.76 123.46 3gtq s ALA 243 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 3gtq s ALA 243 Cb -0.14 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3gtq s ALA 243 CO -0.02 -0.42 0.32 -0.51 0.00 0.00 0.00 175.76 175.13 3gtq s LEU 244 N -2.09 4.23 0.00 0.00 1.02 -1.26 -4.77 118.68 115.80 3gtq s LEU 244 Ca -0.05 0.52 0.13 0.00 0.02 0.00 0.00 54.13 54.76 3gtq s LEU 244 Cb -0.01 -2.41 0.80 0.00 0.02 0.00 0.00 46.19 44.59 3gtq s LEU 244 CO -0.04 0.06 1.38 -1.84 0.02 0.00 0.00 176.35 175.93 3gtq n GLU 245 N 3.74 0.81 -3.12 1.70 0.00 -1.26 -3.85 120.64 118.67 3gtq n GLU 245 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.84 3gtq n GLU 245 Cb 0.52 -1.26 -0.05 0.00 0.00 0.00 0.00 31.44 30.65 3gtq n GLU 245 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3gtq n LYS 246 N -0.76 0.66 0.00 3.44 2.85 -1.26 -5.10 118.16 118.00 3gtq n LYS 246 Ca 0.10 -2.90 0.00 0.00 -1.05 0.00 0.00 58.31 54.46 3gtq n LYS 246 Cb 0.05 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 3gtq n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtq n GLY 247 N 1.65 4.02 5.71 2.58 0.00 -1.25 -5.07 105.19 112.83 3gtq n GLY 247 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3gtq n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtq n SER 248 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.48 113.62 112.37 3gtq n SER 248 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3gtq n SER 248 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3gtq n SER 248 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3gtq n ARG 249 N 0.00 0.00 -2.45 -1.46 3.00 -1.26 -5.10 116.66 109.39 3gtq n ARG 249 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3gtq n ARG 249 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3gtq n ARG 249 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3gtq s PHE 250 N 0.00 2.64 -0.89 -0.14 0.08 -1.26 -4.99 117.98 113.42 3gtq s PHE 250 Ca 0.00 0.79 -0.06 0.00 0.12 0.00 0.00 56.93 57.77 3gtq s PHE 250 Cb 0.00 -4.15 0.22 0.00 -0.57 0.00 0.00 43.02 38.52 3gtq s PHE 250 CO 0.00 -1.65 0.80 0.42 -0.10 0.00 0.00 175.22 174.69 3gtq s ILE 251 N 4.73 4.92 -1.15 0.64 -1.09 -1.26 -4.04 121.20 123.96 3gtq s ILE 251 Ca 0.56 -3.30 -0.09 0.00 -2.23 0.00 0.00 60.65 55.58 3gtq s ILE 251 Cb -0.13 -4.04 0.25 0.00 -1.58 0.00 0.00 42.46 36.96 3gtq s ILE 251 CO 0.28 -1.06 1.29 -1.20 -1.23 0.00 0.00 174.94 173.02 3gtq n SER 252 N 2.97 5.55 -4.68 3.58 7.64 -1.08 -4.95 113.62 122.65 3gtq n SER 252 Ca 0.18 -3.08 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 3gtq n SER 252 Cb 0.40 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 3gtq n SER 252 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gtq s THR 253 N -0.70 2.96 -0.09 0.44 -4.23 -1.26 -3.99 115.64 108.76 3gtq s THR 253 Ca 0.34 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 3gtq s THR 253 Cb -0.05 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 3gtq s THR 253 CO -0.03 -0.01 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.69 3gtq s LEU 254 N 3.53 2.75 -0.10 4.79 2.96 -0.99 -4.69 118.68 126.93 3gtq s LEU 254 Ca 0.81 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3gtq s LEU 254 Cb -0.42 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 44.70 3gtq s LEU 254 CO 0.36 0.25 -0.10 -1.10 -1.32 0.00 0.00 176.35 174.44 3gtq s GLN 255 N -0.17 1.73 -0.86 1.98 -0.21 -1.25 -1.30 119.66 119.58 3gtq s GLN 255 Ca -0.00 -0.36 -0.16 0.00 0.02 0.00 0.00 55.36 54.85 3gtq s GLN 255 Cb -0.13 -1.62 0.17 0.00 1.00 0.00 0.00 33.01 32.43 3gtq s GLN 255 CO 0.03 -0.16 0.93 0.08 -2.12 0.00 0.00 175.29 174.05 3gtq s VAL 256 N 1.30 5.17 -0.26 1.09 1.01 -0.17 -0.79 120.40 127.76 3gtq s VAL 256 Ca -0.02 -1.99 -0.25 0.00 0.00 0.00 0.00 61.98 59.72 3gtq s VAL 256 Cb -0.14 -4.61 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 3gtq s VAL 256 CO -0.04 -1.25 0.85 -0.54 0.00 0.00 0.00 175.10 174.11 3gtq s LYS 257 N 1.44 4.14 -0.58 2.72 1.02 0.37 -1.50 119.74 127.36 3gtq s LYS 257 Ca 0.24 0.91 -0.20 0.00 0.02 0.00 0.00 55.97 56.95 3gtq s LYS 257 Cb -0.08 -3.66 0.08 0.00 -0.52 0.00 0.00 37.83 33.64 3gtq s LYS 257 CO -0.08 -0.57 0.75 -1.17 -0.92 0.00 0.00 175.35 173.36 3gtq s LEU 258 N 2.92 4.98 0.75 3.17 2.96 0.17 -1.59 118.68 132.05 3gtq s LEU 258 Ca 0.35 -1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 53.02 3gtq s LEU 258 Cb -0.15 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.18 3gtq s LEU 258 CO 0.08 -1.13 1.11 -0.31 -1.32 0.00 0.00 176.35 174.78 3gtq s TYR 259 N 3.03 2.51 0.00 5.38 1.51 -0.84 0.35 117.35 129.29 3gtq s TYR 259 Ca 0.16 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.79 3gtq s TYR 259 Cb -0.21 -3.12 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 3gtq s TYR 259 CO 0.09 -1.86 0.00 0.41 -1.11 0.00 0.00 175.55 173.08 3gtq n GLY 260 N -0.85 -2.72 1.22 0.71 0.00 0.20 -3.82 105.19 99.93 3gtq n GLY 260 Ca 0.10 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3gtq n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtq n ARG 261 N -0.05 -2.40 -2.32 1.61 5.12 -1.26 -4.59 116.66 112.77 3gtq n ARG 261 Ca 0.00 -0.59 -0.40 0.00 -1.93 0.00 0.00 57.85 54.93 3gtq n ARG 261 Cb 0.00 -0.64 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 3gtq n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3gtq s GLU 262 N -3.83 2.98 0.00 5.56 2.12 -1.26 -2.73 118.70 121.54 3gtq s GLU 262 Ca 0.25 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3gtq s GLU 262 Cb -0.03 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 30.10 3gtq s GLU 262 CO 0.20 -2.36 0.00 0.41 -0.54 0.00 0.00 175.26 172.97 3gtq n GLY 263 N 5.49 3.06 3.04 -1.50 0.00 -1.26 -5.06 105.19 108.96 3gtq n GLY 263 Ca 0.11 -0.96 -0.56 0.00 0.00 0.00 0.00 46.02 44.62 3gtq n GLY 263 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtq n SER 264 N 0.60 0.81 -0.53 1.61 2.88 -1.10 -4.29 113.62 113.60 3gtq n SER 264 Ca 0.00 0.76 -0.03 0.00 -1.33 0.00 0.00 58.87 58.27 3gtq n SER 264 Cb 0.00 -0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 62.65 3gtq n SER 264 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gtq n SER 265 N 5.52 -0.11 -2.53 -3.46 3.41 -1.26 -3.97 113.62 111.22 3gtq n SER 265 Ca 0.41 -0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.94 3gtq n SER 265 Cb -0.04 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 3gtq n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtq n ALA 266 N 0.83 -3.36 -2.49 7.33 0.00 -1.26 -4.91 120.51 116.65 3gtq n ALA 266 Ca 0.08 2.05 -0.43 0.00 0.00 0.00 0.00 53.44 55.14 3gtq n ALA 266 Cb 0.01 -4.11 -0.02 0.00 0.00 0.00 0.00 19.45 15.33 3gtq n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gtq s ARG 267 N -0.67 3.56 -0.17 0.00 0.52 -1.25 -4.92 118.95 116.02 3gtq s ARG 267 Ca -0.23 0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 55.43 3gtq s ARG 267 Cb 0.02 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 3gtq s ARG 267 CO 0.62 -1.60 0.23 -0.08 0.02 0.00 0.00 175.30 174.49 3gtq s THR 268 N 5.14 5.35 -0.27 0.02 -1.32 -1.25 -4.62 115.64 118.68 3gtq s THR 268 Ca 0.51 0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 61.28 3gtq s THR 268 Cb -0.10 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.29 3gtq s THR 268 CO 0.30 0.43 0.21 -0.63 -2.21 0.00 0.00 174.62 172.71 3gtq s ILE 269 N 0.30 5.30 0.22 5.08 1.01 -1.26 -1.98 121.20 129.87 3gtq s ILE 269 Ca 0.13 0.23 0.10 0.00 0.00 0.00 0.00 60.65 61.11 3gtq s ILE 269 Cb -0.12 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3gtq s ILE 269 CO 0.02 0.26 -0.18 -0.54 0.00 0.00 0.00 174.94 174.49 3gtq s LYS 270 N 1.65 1.45 0.30 2.79 1.02 -0.62 -3.13 119.74 123.20 3gtq s LYS 270 Ca 0.08 -1.59 0.09 0.00 0.02 0.00 0.00 55.97 54.57 3gtq s LYS 270 Cb -0.15 -1.47 -0.06 0.00 -0.52 0.00 0.00 37.83 35.62 3gtq s LYS 270 CO 0.10 0.28 -0.10 0.00 -0.92 0.00 0.00 175.35 174.70 3gtq s ALA 271 N -2.40 2.60 0.01 5.17 0.00 -1.14 -0.48 121.76 125.52 3gtq s ALA 271 Ca 0.23 -1.95 0.08 0.00 0.00 0.00 0.00 51.96 50.32 3gtq s ALA 271 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3gtq s ALA 271 CO 0.10 0.05 -0.25 -0.08 0.00 0.00 0.00 175.76 175.58 3gtq s THR 272 N -2.78 2.00 0.09 0.00 -1.32 0.03 -1.18 115.64 112.47 3gtq s THR 272 Ca 0.30 -1.20 0.06 0.00 -1.21 0.00 0.00 61.69 59.65 3gtq s THR 272 Cb 0.01 -1.68 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 3gtq s THR 272 CO 0.14 0.45 -0.17 -0.76 -2.21 0.00 0.00 174.62 172.06 3gtq s LEU 273 N -0.89 2.29 0.79 9.08 1.43 -1.26 -3.96 118.68 126.16 3gtq s LEU 273 Ca 0.10 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 3gtq s LEU 273 Cb -0.10 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.50 3gtq s LEU 273 CO 0.00 -0.03 0.95 -0.81 0.23 0.00 0.00 176.35 176.69 3gtq n PRO 274 N 1.15 0.24 0.00 1.29 -0.04 -1.26 -3.58 135.00 132.80 3gtq n PRO 274 Ca -0.20 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3gtq n PRO 274 Cb 0.54 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3gtq n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gtq n TYR 275 N -2.97 0.00 -2.19 0.54 4.01 -1.26 -4.93 117.16 110.36 3gtq n TYR 275 Ca 0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 3gtq n TYR 275 Cb 0.50 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.54 3gtq n TYR 275 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3gtq s ILE 276 N 0.00 4.69 -0.15 -0.72 -4.36 -1.23 -5.05 121.20 114.38 3gtq s ILE 276 Ca 0.00 0.56 -0.13 0.00 -0.26 0.00 0.00 60.65 60.82 3gtq s ILE 276 Cb 0.00 -3.83 -0.10 0.00 1.25 0.00 0.00 42.46 39.78 3gtq s ILE 276 CO 0.00 -0.98 0.10 0.11 0.24 0.00 0.00 174.94 174.41 3gtq h LYS 277 N -0.12 0.00 -6.88 0.37 6.56 -1.92 -3.45 116.57 111.14 3gtq h LYS 277 Ca -0.45 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 58.66 3gtq h LYS 277 Cb 1.20 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.92 3gtq h LYS 277 CO 0.62 0.40 0.00 -1.14 -2.06 0.00 0.00 179.45 177.27 3gtq s GLN 278 N -2.11 1.97 0.04 3.15 0.74 -1.26 -5.08 119.66 117.11 3gtq s GLN 278 Ca -0.15 -1.42 -0.10 0.00 0.05 0.00 0.00 55.36 53.74 3gtq s GLN 278 Cb 0.02 -2.49 -0.05 0.00 1.10 0.00 0.00 33.01 31.58 3gtq s GLN 278 CO 0.33 -1.17 0.36 -0.51 -0.55 0.00 0.00 175.29 173.74 3gtq s ASP 279 N -4.72 6.62 -0.19 6.67 1.01 -1.26 -4.65 116.67 120.15 3gtq s ASP 279 Ca 0.64 0.75 0.00 0.00 0.71 0.00 0.00 52.55 54.65 3gtq s ASP 279 Cb -0.05 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.73 3gtq s ASP 279 CO 0.42 0.23 -0.17 -0.63 0.21 0.00 0.00 175.17 175.23 3gtq s ILE 280 N -1.30 2.32 0.21 0.77 1.09 -0.33 -4.91 121.20 119.06 3gtq s ILE 280 Ca 0.29 -0.88 -0.30 0.00 -1.10 0.00 0.00 60.65 58.67 3gtq s ILE 280 Cb -0.14 -2.01 -0.16 0.00 -1.06 0.00 0.00 42.46 39.09 3gtq s ILE 280 CO 0.16 0.49 0.80 -2.65 -0.10 0.00 0.00 174.94 173.65 3gtq n PRO 281 N 4.65 0.59 0.22 2.79 -0.02 -1.26 -2.89 135.00 139.07 3gtq n PRO 281 Ca -0.20 0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3gtq n PRO 281 Cb 0.50 -1.43 0.46 0.00 -0.02 0.00 0.00 33.50 33.01 3gtq n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gtq h ILE 282 N 1.69 0.70 -0.51 4.25 3.07 -1.89 -1.72 117.51 123.10 3gtq h ILE 282 Ca -0.35 -1.15 0.05 0.00 1.55 0.00 0.00 64.86 64.95 3gtq h ILE 282 Cb 1.39 1.74 -0.05 0.00 -0.27 0.00 0.00 36.82 39.63 3gtq h ILE 282 CO 0.61 0.26 0.25 0.58 -1.05 0.00 0.00 178.15 178.79 3gtq h VAL 283 N 0.00 0.94 -0.54 0.16 2.07 -1.88 -0.91 116.25 116.09 3gtq h VAL 283 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3gtq h VAL 283 Cb 0.71 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gtq h VAL 283 CO 0.03 0.09 0.27 0.40 0.02 0.00 0.00 177.57 178.38 3gtq h ILE 284 N 0.49 1.18 -0.14 4.57 1.08 -1.65 0.50 117.51 123.54 3gtq h ILE 284 Ca 0.23 -0.49 -0.23 0.00 -0.39 0.00 0.00 64.86 63.97 3gtq h ILE 284 Cb 0.15 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3gtq h ILE 284 CO -0.17 0.21 -0.82 0.40 -0.69 0.00 0.00 178.15 177.08 3gtq h ILE 285 N 0.76 1.27 -0.80 -0.67 1.08 -1.45 0.37 117.51 118.07 3gtq h ILE 285 Ca 0.19 -2.00 0.01 0.00 -0.39 0.00 0.00 64.86 62.67 3gtq h ILE 285 Cb 0.07 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 3gtq h ILE 285 CO -0.03 0.64 0.53 -0.26 -0.69 0.00 0.00 178.15 178.33 3gtq h PHE 286 N 0.53 0.99 0.00 1.37 0.05 -0.62 -2.26 116.94 117.01 3gtq h PHE 286 Ca -0.06 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.70 3gtq h PHE 286 Cb 1.45 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 39.06 3gtq h PHE 286 CO 0.09 0.61 -0.24 0.00 -0.18 0.00 0.00 178.31 178.59 3gtq h ARG 287 N 1.06 0.00 -0.03 1.51 3.08 0.28 -1.60 114.38 118.69 3gtq h ARG 287 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3gtq h ARG 287 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gtq h ARG 287 CO -0.08 0.24 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 3gtq n ALA 288 N -2.37 2.61 0.01 0.04 0.00 0.13 -3.82 120.51 117.10 3gtq n ALA 288 Ca -0.02 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.14 3gtq n ALA 288 Cb 0.33 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 3gtq n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtq n LEU 289 N -0.26 0.01 0.00 0.00 4.77 -0.63 -4.84 117.00 116.05 3gtq n LEU 289 Ca 0.20 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3gtq n LEU 289 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3gtq n LEU 289 CO 0.16 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3gtq n GLY 290 N 1.72 2.44 3.61 -0.72 0.00 -1.00 -4.81 105.19 106.44 3gtq n GLY 290 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3gtq n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtq s ILE 291 N -0.06 4.13 -0.23 -0.61 1.01 -1.03 -4.90 121.20 119.50 3gtq s ILE 291 Ca 0.00 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.78 3gtq s ILE 291 Cb 0.00 -4.40 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 3gtq s ILE 291 CO 0.00 -0.81 -0.26 -0.38 0.00 0.00 0.00 174.94 173.50 3gtq n ILE 292 N 6.74 1.30 -2.45 2.92 5.41 -1.26 -2.52 119.36 129.50 3gtq n ILE 292 Ca 0.14 -0.41 -0.41 0.00 1.00 0.00 0.00 62.75 63.07 3gtq n ILE 292 Cb 0.48 -1.57 -0.04 0.00 -0.71 0.00 0.00 39.64 37.80 3gtq n ILE 292 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gtq s PRO 293 N -2.44 4.56 0.51 0.38 0.04 -1.26 -4.89 135.00 131.89 3gtq s PRO 293 Ca -0.32 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 3gtq s PRO 293 Cb 0.10 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.29 3gtq s PRO 293 CO 0.47 0.04 0.44 -0.25 0.04 0.00 0.00 177.00 177.74 3gtq n ASP 294 N 2.17 -1.34 0.00 6.66 10.43 -1.26 -0.91 116.55 132.31 3gtq n ASP 294 Ca 0.03 0.79 0.00 0.00 2.57 0.00 0.00 54.79 58.17 3gtq n ASP 294 Cb 0.45 -1.11 0.00 0.00 1.84 0.00 0.00 41.12 42.30 3gtq n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gtq n GLY 295 N 1.88 2.80 0.09 0.44 0.00 -1.26 -4.30 105.19 104.84 3gtq n GLY 295 Ca 0.11 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 3gtq n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gtq h GLU 296 N 0.00 0.00 0.34 1.61 4.22 -1.95 -1.49 114.58 117.32 3gtq h GLU 296 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3gtq h GLU 296 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3gtq h GLU 296 CO 0.00 0.85 -0.48 0.82 -2.18 0.00 0.00 179.01 178.02 3gtq h ILE 297 N 0.00 0.00 0.00 2.32 1.08 -1.21 -3.08 117.51 116.62 3gtq h ILE 297 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3gtq h ILE 297 Cb 1.53 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3gtq h ILE 297 CO 0.11 0.00 0.00 -0.07 -0.69 0.00 0.00 178.15 177.50 3gtq h LEU 298 N -0.86 0.00 -1.12 1.44 3.38 -1.83 -2.55 115.31 113.77 3gtq h LEU 298 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3gtq h LEU 298 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3gtq h LEU 298 CO -0.14 0.00 -0.04 -0.33 0.09 0.00 0.00 178.44 178.02 3gtq h GLU 299 N 0.00 0.57 0.00 1.13 4.39 -1.18 0.57 114.58 120.06 3gtq h GLU 299 Ca 0.00 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 3gtq h GLU 299 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3gtq h GLU 299 CO 0.00 0.63 -0.18 0.45 -1.16 0.00 0.00 179.01 178.75 3gtq h HIS 300 N 0.54 0.00 0.00 4.33 3.86 -1.42 -3.40 115.15 119.05 3gtq h HIS 300 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3gtq h HIS 300 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3gtq h HIS 300 CO 0.02 0.18 0.00 -0.89 0.86 0.00 0.00 177.93 178.09 3gtq n ILE 301 N -3.23 0.00 -2.12 2.45 5.41 -0.87 -4.06 119.36 116.93 3gtq n ILE 301 Ca 0.01 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.34 3gtq n ILE 301 Cb 0.48 -0.35 -0.03 0.00 -0.71 0.00 0.00 39.64 39.03 3gtq n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtq n TYR 303 N 4.59 1.82 -3.15 0.00 0.53 -1.26 -4.39 117.16 115.29 3gtq n TYR 303 Ca 0.13 -0.85 0.05 0.00 -1.02 0.00 0.00 57.90 56.21 3gtq n TYR 303 Cb 0.42 -0.49 -0.01 0.00 -1.03 0.00 0.00 39.34 38.23 3gtq n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3gtq s ASP 304 N -1.16 -0.74 0.00 7.72 2.15 -1.26 -4.76 116.67 118.62 3gtq s ASP 304 Ca 0.51 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.85 3gtq s ASP 304 Cb 0.40 1.58 0.00 0.00 -0.30 0.00 0.00 42.92 44.60 3gtq s ASP 304 CO 0.13 -0.14 0.41 0.52 -0.17 0.00 0.00 175.17 175.92 3gtq n VAL 305 N 5.40 0.00 0.03 1.11 0.31 -1.26 -1.04 118.33 122.88 3gtq n VAL 305 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.11 3gtq n VAL 305 Cb 0.54 -0.26 -0.14 0.00 -0.91 0.00 0.00 33.84 33.07 3gtq n VAL 305 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3gtq h ASN 306 N 0.14 0.41 0.00 4.52 2.35 -1.99 -3.43 115.58 117.58 3gtq h ASN 306 Ca 0.00 -0.91 -0.58 0.00 -0.55 0.00 0.00 56.30 54.26 3gtq h ASN 306 Cb 0.06 -0.13 0.11 0.00 0.05 0.00 0.00 38.32 38.41 3gtq h ASN 306 CO 0.00 1.46 1.63 -0.67 -1.65 0.00 0.00 177.43 178.20 3gtq n ASP 307 N -4.08 1.44 -0.29 5.81 2.03 -0.20 -4.69 116.55 116.56 3gtq n ASP 307 Ca -0.18 -2.53 0.03 0.00 0.52 0.00 0.00 54.79 52.64 3gtq n ASP 307 Cb 0.84 -0.68 0.17 0.00 -0.72 0.00 0.00 41.12 40.73 3gtq n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3gtq h TRP 308 N 9.28 0.82 -0.06 -0.67 5.08 -1.86 -2.13 115.95 126.41 3gtq h TRP 308 Ca 0.30 0.03 0.03 0.00 1.08 0.00 0.00 58.89 60.32 3gtq h TRP 308 Cb 0.65 -0.25 -0.06 0.00 -3.00 0.00 0.00 29.16 26.51 3gtq h TRP 308 CO 1.13 0.32 -0.53 1.96 -1.28 0.00 0.00 178.44 180.04 3gtq h GLN 309 N 0.75 -0.60 -0.98 0.12 4.20 -1.98 1.23 115.11 117.85 3gtq h GLN 309 Ca 0.40 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.33 3gtq h GLN 309 Cb 0.39 0.14 -0.18 0.00 0.30 0.00 0.00 27.48 28.13 3gtq h GLN 309 CO -0.26 -0.40 -0.29 -0.12 -0.67 0.00 0.00 178.83 177.09 3gtq n MET 310 N -5.45 -0.13 -0.08 1.46 1.56 -0.84 -0.37 117.12 113.27 3gtq n MET 310 Ca -0.07 1.52 -0.12 0.00 -0.27 0.00 0.00 57.70 58.76 3gtq n MET 310 Cb 0.39 -2.27 -0.05 0.00 2.15 0.00 0.00 33.22 33.44 3gtq n MET 310 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3gtq h LEU 311 N 0.00 0.49 -0.96 -0.89 3.38 -0.24 -2.88 115.31 114.21 3gtq h LEU 311 Ca 0.43 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3gtq h LEU 311 Cb 0.67 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3gtq h LEU 311 CO -1.00 0.78 0.60 -0.08 0.09 0.00 0.00 178.44 178.83 3gtq h GLU 312 N 0.19 1.00 -0.53 1.13 4.57 0.33 0.38 114.58 121.65 3gtq h GLU 312 Ca 0.05 -0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 3gtq h GLU 312 Cb 0.59 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3gtq h GLU 312 CO 0.03 0.66 0.38 0.52 -1.18 0.00 0.00 179.01 179.42 3gtq h MET 313 N 1.03 0.04 0.00 1.92 2.86 -0.48 -2.17 114.93 118.13 3gtq h MET 313 Ca 0.44 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 3gtq h MET 313 Cb 0.30 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3gtq h MET 313 CO -0.22 0.03 -1.14 1.28 1.06 0.00 0.00 176.91 177.92 3gtq n LEU 314 N -4.39 0.67 -0.33 1.22 4.77 0.13 -4.34 117.00 114.73 3gtq n LEU 314 Ca 0.10 0.23 0.19 0.00 -0.03 0.00 0.00 56.01 56.49 3gtq n LEU 314 Cb 0.58 -0.06 0.37 0.00 -2.33 0.00 0.00 43.42 41.97 3gtq n LEU 314 CO 0.36 -0.12 0.90 0.11 -1.33 0.00 0.00 177.39 177.32 3gtq h LYS 315 N 0.00 0.06 0.00 3.23 1.57 -0.68 0.39 116.57 121.13 3gtq h LYS 315 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3gtq h LYS 315 Cb 0.95 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3gtq h LYS 315 CO 0.00 0.04 -0.12 -1.35 -0.57 0.00 0.00 179.45 177.45 3gtq h PRO 316 N 0.06 0.00 0.59 3.15 0.11 -1.77 -3.08 132.00 131.07 3gtq h PRO 316 Ca 0.65 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.74 3gtq h PRO 316 Cb 1.47 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.58 3gtq h PRO 316 CO -0.82 0.12 -0.28 0.00 -0.21 0.00 0.00 178.00 176.81 3gtq n VAL 318 N -5.31 -0.40 0.00 0.00 0.31 -1.19 -0.31 118.33 111.44 3gtq n VAL 318 Ca -0.10 2.03 0.01 0.00 -0.01 0.00 0.00 64.34 66.27 3gtq n VAL 318 Cb 0.32 -3.13 0.35 0.00 -0.91 0.00 0.00 33.84 30.47 3gtq n VAL 318 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gtq h GLU 319 N 0.00 0.52 0.00 5.55 4.39 -1.45 0.40 114.58 123.99 3gtq h GLU 319 Ca 0.70 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.32 3gtq h GLU 319 Cb 1.70 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 3gtq h GLU 319 CO -0.82 0.47 0.00 -3.47 -1.16 0.00 0.00 179.01 174.04 3gtq n ASP 320 N -4.35 0.00 -0.13 1.42 -0.08 0.58 -4.09 116.55 109.90 3gtq n ASP 320 Ca 0.02 -0.02 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 3gtq n ASP 320 Cb 0.17 -0.32 -0.11 0.00 2.34 0.00 0.00 41.12 43.20 3gtq n ASP 320 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtq n GLY 321 N 1.16 -0.44 1.07 0.27 0.00 0.09 -4.50 105.19 102.84 3gtq n GLY 321 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3gtq n GLY 321 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gtq n PHE 322 N -3.81 0.00 0.45 1.61 1.16 -0.95 0.15 117.46 116.07 3gtq n PHE 322 Ca -0.49 -0.24 0.11 0.00 -1.87 0.00 0.00 57.45 54.96 3gtq n PHE 322 Cb 0.93 -0.18 0.01 0.00 -1.61 0.00 0.00 39.48 38.63 3gtq n PHE 322 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3gtq n VAL 323 N 0.87 0.24 -3.59 1.97 0.31 -1.26 -4.88 118.33 111.99 3gtq n VAL 323 Ca 0.00 -0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 3gtq n VAL 323 Cb 0.22 0.08 -0.14 0.00 -0.91 0.00 0.00 33.84 33.09 3gtq n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtq s ILE 324 N -3.25 -0.29 -0.13 2.52 1.01 0.38 -5.05 121.20 116.39 3gtq s ILE 324 Ca 0.02 0.09 0.20 0.00 0.00 0.00 0.00 60.65 60.96 3gtq s ILE 324 Cb 0.14 -0.50 0.45 0.00 0.01 0.00 0.00 42.46 42.55 3gtq s ILE 324 CO 0.80 -0.05 1.17 1.67 0.00 0.00 0.00 174.94 178.53 3gtq n GLN 325 N 5.32 1.13 -3.50 2.79 -0.06 -1.26 -4.92 117.38 116.88 3gtq n GLN 325 Ca -0.05 -2.86 -0.15 0.00 -2.00 0.00 0.00 57.00 51.94 3gtq n GLN 325 Cb 0.50 -0.96 -0.05 0.00 -4.06 0.00 0.00 30.24 25.67 3gtq n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3gtq s ASP 326 N -2.84 -0.59 0.03 1.69 -4.77 -1.26 -4.97 116.67 103.96 3gtq s ASP 326 Ca 0.35 0.38 -0.06 0.00 -3.30 0.00 0.00 52.55 49.93 3gtq s ASP 326 Cb 0.37 0.55 -0.01 0.00 -1.09 0.00 0.00 42.92 42.74 3gtq s ASP 326 CO -0.10 -0.75 0.96 0.54 0.70 0.00 0.00 175.17 176.52 3gtq n ARG 327 N 0.40 -0.08 -0.28 2.11 5.12 -1.26 -2.82 116.66 119.84 3gtq n ARG 327 Ca -0.18 0.95 -0.04 0.00 -1.93 0.00 0.00 57.85 56.65 3gtq n ARG 327 Cb 0.60 -1.42 0.10 0.00 -1.16 0.00 0.00 32.46 30.58 3gtq n ARG 327 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3gtq h GLU 328 N 0.00 1.16 0.00 5.56 3.07 -1.99 -2.80 114.58 119.58 3gtq h GLU 328 Ca 0.03 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3gtq h GLU 328 Cb 0.08 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3gtq h GLU 328 CO -0.18 0.91 0.00 0.25 -1.40 0.00 0.00 179.01 178.59 3gtq n THR 329 N -4.30 0.00 0.12 1.13 -2.24 -1.13 -2.69 114.28 105.18 3gtq n THR 329 Ca 0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.61 3gtq n THR 329 Cb 0.16 -0.50 -0.16 0.00 -2.10 0.00 0.00 70.33 67.73 3gtq n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtq h ALA 330 N 3.63 -0.10 -0.26 6.98 0.00 -1.49 -3.19 119.26 124.83 3gtq h ALA 330 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 54.91 53.94 3gtq h ALA 330 Cb 0.18 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gtq h ALA 330 CO 0.00 0.72 -0.15 -0.07 0.00 0.00 0.00 179.25 179.75 3gtq h LEU 331 N 0.08 0.44 -0.76 0.00 -0.00 -1.66 -3.19 115.31 110.22 3gtq h LEU 331 Ca -0.27 -0.12 0.17 0.00 -0.00 0.00 0.00 57.88 57.67 3gtq h LEU 331 Cb 2.11 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 42.53 3gtq h LEU 331 CO 0.25 0.62 0.19 -0.78 -0.00 0.00 0.00 178.44 178.71 3gtq h ASP 332 N 0.42 0.02 0.27 -0.43 3.58 -1.50 -0.53 116.42 118.25 3gtq h ASP 332 Ca 0.08 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3gtq h ASP 332 Cb 0.51 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 3gtq h ASP 332 CO 0.03 -0.05 -0.12 0.15 -2.88 0.00 0.00 179.24 176.37 3gtq h PHE 333 N 0.27 0.00 -1.62 0.28 3.57 -1.57 -3.38 116.94 114.49 3gtq h PHE 333 Ca 0.44 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 61.43 3gtq h PHE 333 Cb 0.76 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 3gtq h PHE 333 CO -0.26 0.12 1.20 0.42 -2.23 0.00 0.00 178.31 177.55 3gtq s ILE 334 N -4.37 3.67 0.00 1.41 -1.09 -0.21 -5.14 121.20 115.47 3gtq s ILE 334 Ca -0.03 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 3gtq s ILE 334 Cb 0.14 -4.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 3gtq s ILE 334 CO 0.61 -1.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.37 3gtq n GLY 335 N 6.16 1.08 3.42 6.18 0.00 -1.26 -4.60 105.19 116.18 3gtq n GLY 335 Ca 0.22 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3gtq n GLY 335 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtq s LYS 345 N 0.00 2.70 -0.42 1.61 2.20 -1.26 -5.10 119.74 119.48 3gtq s LYS 345 Ca 0.00 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 3gtq s LYS 345 Cb 0.00 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 3gtq s LYS 345 CO 0.00 0.50 0.00 -0.85 -0.36 0.00 0.00 175.35 174.64 3gtq n GLU 346 N 2.68 -1.83 -0.05 4.03 0.28 -1.26 -4.51 120.64 119.98 3gtq n GLU 346 Ca -0.17 0.51 -0.07 0.00 -0.16 0.00 0.00 57.16 57.26 3gtq n GLU 346 Cb 0.52 -4.57 -0.05 0.00 1.43 0.00 0.00 31.44 28.77 3gtq n GLU 346 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3gtq n LYS 347 N 0.04 0.25 0.19 3.44 4.01 -1.26 -4.46 118.16 120.36 3gtq n LYS 347 Ca -0.04 0.06 0.12 0.00 -0.51 0.00 0.00 58.31 57.94 3gtq n LYS 347 Cb 0.41 -1.17 0.13 0.00 -0.51 0.00 0.00 35.03 33.89 3gtq n LYS 347 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 3gtq h ARG 348 N -0.03 0.00 -0.33 1.97 0.11 -1.92 -1.56 114.38 112.61 3gtq h ARG 348 Ca -0.23 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.70 3gtq h ARG 348 Cb 1.34 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 3gtq h ARG 348 CO -0.05 0.00 -0.40 0.82 0.10 0.00 0.00 179.97 180.44 3gtq h ILE 349 N 0.00 1.28 0.50 0.08 5.03 -1.84 -2.47 117.51 120.09 3gtq h ILE 349 Ca 0.00 -1.58 -0.02 0.00 -0.12 0.00 0.00 64.86 63.14 3gtq h ILE 349 Cb 0.99 1.46 0.00 0.00 -3.03 0.00 0.00 36.82 36.24 3gtq h ILE 349 CO 0.00 0.52 -0.24 1.56 -0.68 0.00 0.00 178.15 179.31 3gtq h GLN 350 N 0.65 -0.64 -0.76 2.37 1.08 -1.73 0.20 115.11 116.27 3gtq h GLN 350 Ca 0.05 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.43 3gtq h GLN 350 Cb 0.96 0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 28.40 3gtq h GLN 350 CO 0.09 -0.43 -0.24 0.98 -0.95 0.00 0.00 178.83 178.29 3gtq n TYR 351 N -4.17 0.16 -0.15 2.96 9.36 -0.61 -0.04 117.16 124.68 3gtq n TYR 351 Ca -0.08 0.93 -0.11 0.00 3.32 0.00 0.00 57.90 61.96 3gtq n TYR 351 Cb 0.26 -0.87 -0.01 0.00 -0.63 0.00 0.00 39.34 38.09 3gtq n TYR 351 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gtq h ALA 352 N 1.31 0.60 0.00 2.98 0.00 -1.31 -2.75 119.26 120.10 3gtq h ALA 352 Ca 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gtq h ALA 352 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gtq h ALA 352 CO -0.77 0.47 0.00 1.17 0.00 0.00 0.00 179.25 180.12 3gtq n LYS 353 N -4.30 0.17 0.05 0.00 4.81 0.94 -2.03 118.16 117.80 3gtq n LYS 353 Ca -0.00 0.41 -0.10 0.00 -0.87 0.00 0.00 58.31 57.75 3gtq n LYS 353 Cb 0.36 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.51 3gtq n LYS 353 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3gtq h ASP 354 N 0.00 -0.19 0.03 3.14 3.32 -0.68 -3.36 116.42 118.69 3gtq h ASP 354 Ca 0.00 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 3gtq h ASP 354 Cb 0.34 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3gtq h ASP 354 CO 0.00 0.37 -0.13 0.40 -1.72 0.00 0.00 179.24 178.17 3gtq h ILE 355 N -0.90 1.17 0.00 0.35 2.04 -1.22 2.03 117.51 120.98 3gtq h ILE 355 Ca -0.02 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3gtq h ILE 355 Cb 0.51 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3gtq h ILE 355 CO 0.04 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3gtq n LEU 356 N -4.29 0.00 0.00 1.44 7.99 -0.86 -1.36 117.00 119.93 3gtq n LEU 356 Ca -0.01 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 3gtq n LEU 356 Cb 0.26 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 3gtq n LEU 356 CO 0.38 -0.14 -0.38 0.00 -1.51 0.00 0.00 177.39 175.74 3gtq n GLN 357 N -1.30 0.00 -0.12 3.23 6.02 0.51 -4.68 117.38 121.03 3gtq n GLN 357 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 3gtq n GLN 357 Cb 0.14 -0.66 0.24 0.00 1.02 0.00 0.00 30.24 30.97 3gtq n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtq n LYS 358 N -2.53 2.29 0.00 -1.09 4.76 0.66 -4.36 118.16 117.89 3gtq n LYS 358 Ca 0.00 -1.93 0.00 0.00 -2.87 0.00 0.00 58.31 53.51 3gtq n LYS 358 Cb 0.38 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3gtq n LYS 358 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3gtq n GLU 359 N 1.19 0.00 -3.24 1.97 0.28 -1.16 -4.95 120.64 114.72 3gtq n GLU 359 Ca 0.18 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.79 3gtq n GLU 359 Cb 0.54 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.35 3gtq n GLU 359 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3gtq s PHE 360 N 0.00 3.39 -0.61 -1.84 5.36 -0.46 -4.41 117.98 119.41 3gtq s PHE 360 Ca 0.00 0.81 -0.11 0.00 -0.96 0.00 0.00 56.93 56.68 3gtq s PHE 360 Cb 0.00 -2.67 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 3gtq s PHE 360 CO 0.00 -0.07 0.38 1.28 -1.46 0.00 0.00 175.22 175.35 3gtq n LEU 361 N 4.65 -0.57 0.00 6.12 4.32 -1.26 -4.73 117.00 125.53 3gtq n LEU 361 Ca -0.05 -0.69 0.01 0.00 -0.02 0.00 0.00 56.01 55.26 3gtq n LEU 361 Cb 0.50 -0.95 0.03 0.00 -1.62 0.00 0.00 43.42 41.38 3gtq n LEU 361 CO 0.42 0.38 0.48 -2.65 -1.22 0.00 0.00 177.39 174.79 3gtq n PRO 362 N -2.60 0.01 -1.80 3.23 -0.02 -1.26 -4.46 135.00 128.09 3gtq n PRO 362 Ca -0.13 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 3gtq n PRO 362 Cb 0.38 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.56 3gtq n PRO 362 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3gtq s HIS 363 N -2.82 1.32 0.00 6.00 -3.43 -1.26 -3.83 115.29 111.27 3gtq s HIS 363 Ca 0.01 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3gtq s HIS 363 Cb 0.01 -4.05 0.00 0.00 -1.43 0.00 0.00 32.58 27.10 3gtq s HIS 363 CO 0.02 -2.91 0.00 -0.89 -2.00 0.00 0.00 174.74 168.96 3gtq n ILE 364 N -3.96 0.00 0.00 -5.38 2.08 -1.26 -4.80 119.36 106.04 3gtq n ILE 364 Ca 0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3gtq n ILE 364 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 3gtq n ILE 364 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3gtq n THR 365 N 0.00 0.00 -3.32 1.39 5.66 -1.25 -5.07 114.28 111.70 3gtq n THR 365 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 3gtq n THR 365 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 3gtq n THR 365 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gtq n GLN 366 N -0.90 1.69 0.00 1.09 6.02 -1.26 -4.69 117.38 119.34 3gtq n GLN 366 Ca 0.00 -4.01 0.00 0.00 -0.01 0.00 0.00 57.00 52.98 3gtq n GLN 366 Cb 0.00 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.48 3gtq n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3gtq n LEU 367 N 1.11 0.00 0.00 1.08 4.77 -1.26 -4.87 117.00 117.83 3gtq n LEU 367 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3gtq n LEU 367 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3gtq n LEU 367 CO 0.30 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.57 3gtq n GLU 368 N 0.00 0.00 -2.17 3.23 2.13 -1.26 -4.87 120.64 117.70 3gtq n GLU 368 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 3gtq n GLU 368 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3gtq n GLU 368 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3gtq s GLY 369 N 0.00 0.48 -0.38 8.31 0.00 -1.26 -4.66 107.32 109.81 3gtq s GLY 369 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.10 3gtq s GLY 369 CO 0.00 3.19 1.26 0.69 0.00 0.00 0.00 173.10 178.23 3gtq n PHE 370 N 11.48 -1.46 0.30 1.90 3.01 -1.26 -5.06 117.46 126.36 3gtq n PHE 370 Ca 0.17 -1.27 0.08 0.00 1.01 0.00 0.00 57.45 57.44 3gtq n PHE 370 Cb 0.51 1.35 -0.12 0.00 -0.01 0.00 0.00 39.48 41.21 3gtq n PHE 370 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gtq n GLU 371 N 0.64 0.95 0.06 -1.08 4.71 -1.26 -3.48 120.64 121.18 3gtq n GLU 371 Ca -0.00 -0.09 0.11 0.00 -0.01 0.00 0.00 57.16 57.17 3gtq n GLU 371 Cb 0.72 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 3gtq n GLU 371 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3gtq n SER 372 N -1.81 0.65 -0.02 1.62 3.41 -1.26 -2.72 113.62 113.49 3gtq n SER 372 Ca -0.01 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 3gtq n SER 372 Cb 0.36 0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 64.94 3gtq n SER 372 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gtq h ARG 373 N 0.00 0.08 -0.26 4.33 2.47 -1.91 -2.29 114.38 116.81 3gtq h ARG 373 Ca 0.00 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.54 3gtq h ARG 373 Cb 0.90 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 3gtq h ARG 373 CO 0.00 0.52 -0.41 0.87 0.56 0.00 0.00 179.97 181.51 3gtq h LYS 374 N -0.35 0.63 0.52 0.04 1.57 -1.70 -3.03 116.57 114.24 3gtq h LYS 374 Ca 0.01 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3gtq h LYS 374 Cb 0.50 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3gtq h LYS 374 CO 0.01 0.93 -0.25 0.00 -0.57 0.00 0.00 179.45 179.56 3gtq h ALA 375 N 1.03 -0.89 -0.95 3.86 0.00 -1.62 -2.84 119.26 117.85 3gtq h ALA 375 Ca 0.04 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.99 3gtq h ALA 375 Cb 0.94 0.27 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 3gtq h ALA 375 CO 0.08 -0.84 -0.23 1.19 0.00 0.00 0.00 179.25 179.46 3gtq n PHE 376 N -4.50 0.35 0.21 0.00 3.01 -0.86 -0.15 117.46 115.53 3gtq n PHE 376 Ca -0.09 1.16 -0.14 0.00 1.01 0.00 0.00 57.45 59.38 3gtq n PHE 376 Cb 0.28 -1.06 -0.08 0.00 -0.01 0.00 0.00 39.48 38.61 3gtq n PHE 376 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3gtq h PHE 377 N 0.00 -0.48 -0.63 1.38 3.57 -1.58 0.38 116.94 119.58 3gtq h PHE 377 Ca 0.46 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.13 3gtq h PHE 377 Cb 0.71 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3gtq h PHE 377 CO -0.72 -0.19 0.54 1.25 -2.23 0.00 0.00 178.31 176.96 3gtq h LEU 378 N -0.73 0.00 0.00 0.59 5.85 -0.98 1.74 115.31 121.78 3gtq h LEU 378 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gtq h LEU 378 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3gtq h LEU 378 CO 0.09 0.00 -0.19 0.61 -0.34 0.00 0.00 178.44 178.60 3gtq n GLY 379 N -1.60 -1.56 0.08 3.75 0.00 0.79 -2.57 105.19 104.08 3gtq n GLY 379 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3gtq n GLY 379 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gtq n TYR 380 N -2.03 0.46 -0.07 1.61 9.36 0.56 -3.21 117.16 123.85 3gtq n TYR 380 Ca 0.05 0.16 -0.09 0.00 3.32 0.00 0.00 57.90 61.34 3gtq n TYR 380 Cb 0.41 -0.99 -0.02 0.00 -0.63 0.00 0.00 39.34 38.11 3gtq n TYR 380 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3gtq h MET 381 N 0.00 0.29 0.00 2.98 2.86 -0.73 -1.24 114.93 119.09 3gtq h MET 381 Ca -0.32 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 3gtq h MET 381 Cb 1.85 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 3gtq h MET 381 CO 0.04 0.19 -0.08 0.82 1.06 0.00 0.00 176.91 178.94 3gtq h ILE 382 N 0.30 0.35 0.07 -1.22 1.08 -1.61 0.22 117.51 116.70 3gtq h ILE 382 Ca 0.10 -0.49 -0.24 0.00 -0.39 0.00 0.00 64.86 63.85 3gtq h ILE 382 Cb 0.01 1.36 0.02 0.00 -3.07 0.00 0.00 36.82 35.14 3gtq h ILE 382 CO -0.06 0.08 -0.98 -1.13 -0.69 0.00 0.00 178.15 175.37 3gtq h ASN 383 N 0.00 0.74 0.09 1.72 -1.24 -1.41 -2.99 115.58 112.49 3gtq h ASN 383 Ca -0.00 -0.81 -0.12 0.00 0.71 0.00 0.00 56.30 56.08 3gtq h ASN 383 Cb 0.35 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3gtq h ASN 383 CO 0.01 1.47 -0.41 0.03 -1.29 0.00 0.00 177.43 177.23 3gtq h ARG 384 N 0.11 0.41 -0.87 6.67 2.47 -0.46 -1.20 114.38 121.51 3gtq h ARG 384 Ca -0.14 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.41 3gtq h ARG 384 Cb 1.68 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.95 3gtq h ARG 384 CO 0.19 0.76 0.57 1.25 0.56 0.00 0.00 179.97 183.30 3gtq h LEU 385 N 0.34 0.93 0.00 3.04 5.85 -0.64 -2.97 115.31 121.87 3gtq h LEU 385 Ca 0.03 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.50 3gtq h LEU 385 Cb 0.87 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3gtq h LEU 385 CO 0.07 0.64 -1.58 0.18 -0.34 0.00 0.00 178.44 177.42 3gtq n LEU 386 N -4.44 0.88 0.30 2.25 4.77 -1.10 -2.40 117.00 117.26 3gtq n LEU 386 Ca 0.11 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3gtq n LEU 386 Cb 0.10 0.13 0.70 0.00 -2.33 0.00 0.00 43.42 42.02 3gtq n LEU 386 CO 0.35 0.29 1.05 -0.07 -1.33 0.00 0.00 177.39 177.68 3gtq h LEU 387 N 0.00 0.00 0.00 2.23 4.07 -1.06 -0.74 115.31 119.81 3gtq h LEU 387 Ca -0.23 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.28 3gtq h LEU 387 Cb 1.84 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.51 3gtq h LEU 387 CO 0.07 0.00 -2.51 0.00 -1.08 0.00 0.00 178.44 174.92 3gtq h ALA 389 N -0.90 2.08 -0.14 0.00 0.00 -1.08 0.23 119.26 119.45 3gtq h ALA 389 Ca -0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gtq h ALA 389 Cb 1.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gtq h ALA 389 CO -0.39 -0.60 0.00 1.28 0.00 0.00 0.00 179.25 179.54 3gtq n LEU 390 N -3.75 2.96 -2.39 0.00 4.77 -0.33 -4.97 117.00 113.29 3gtq n LEU 390 Ca 0.06 -1.09 -0.20 0.00 -0.03 0.00 0.00 56.01 54.75 3gtq n LEU 390 Cb 0.57 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3gtq n LEU 390 CO 0.28 0.55 -0.26 0.47 -1.33 0.00 0.00 177.39 177.10 3gtq n ASP 391 N 1.25 -5.77 -0.36 -1.43 10.43 0.81 -4.84 116.55 116.64 3gtq n ASP 391 Ca 0.16 0.01 0.09 0.00 2.57 0.00 0.00 54.79 57.62 3gtq n ASP 391 Cb 0.57 -4.82 -0.02 0.00 1.84 0.00 0.00 41.12 38.70 3gtq n ASP 391 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3gtq n ARG 392 N -2.99 1.46 -3.72 -1.24 1.85 -1.13 -4.91 116.66 105.99 3gtq n ARG 392 Ca -0.24 -0.77 -0.12 0.00 -1.00 0.00 0.00 57.85 55.73 3gtq n ARG 392 Cb 0.68 -1.35 -0.11 0.00 -1.05 0.00 0.00 32.46 30.63 3gtq n ARG 392 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3gtq s LYS 393 N -2.19 0.36 1.05 2.89 2.47 -0.68 -5.05 119.74 118.59 3gtq s LYS 393 Ca 0.14 0.64 -0.15 0.00 -1.56 0.00 0.00 55.97 55.04 3gtq s LYS 393 Cb 0.15 0.02 0.10 0.00 -1.46 0.00 0.00 37.83 36.63 3gtq s LYS 393 CO 0.50 -0.13 0.32 -0.25 0.16 0.00 0.00 175.35 175.95 3gtq n ASP 394 N 3.86 -2.06 -4.81 1.43 8.00 -1.26 -4.17 116.55 117.54 3gtq n ASP 394 Ca -0.21 0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 3gtq n ASP 394 Cb 0.55 -1.11 0.10 0.00 -0.02 0.00 0.00 41.12 40.64 3gtq n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3gtq s GLN 395 N -3.67 1.96 -0.32 -1.24 0.74 -1.26 -4.86 119.66 111.01 3gtq s GLN 395 Ca 0.58 0.55 -0.24 0.00 0.05 0.00 0.00 55.36 56.30 3gtq s GLN 395 Cb -0.17 -1.91 0.00 0.00 1.10 0.00 0.00 33.01 32.03 3gtq s GLN 395 CO 0.66 -1.69 0.81 -0.51 -0.55 0.00 0.00 175.29 174.02 3gtq s ASP 396 N -3.98 6.67 0.11 6.67 1.01 -0.71 -5.00 116.67 121.43 3gtq s ASP 396 Ca 0.61 0.64 -0.31 0.00 0.71 0.00 0.00 52.55 54.20 3gtq s ASP 396 Cb -0.14 -2.42 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 3gtq s ASP 396 CO 0.54 -0.66 1.72 -0.62 0.21 0.00 0.00 175.17 176.36 3gtq s ASP 397 N 1.66 6.52 0.38 0.27 -1.08 -1.26 -4.88 116.67 118.28 3gtq s ASP 397 Ca 0.33 2.63 0.25 0.00 -0.52 0.00 0.00 52.55 55.24 3gtq s ASP 397 Cb -0.14 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.30 3gtq s ASP 397 CO 0.14 -0.94 1.68 0.03 0.52 0.00 0.00 175.17 176.60 3gtq h ARG 398 N 8.24 0.00 -0.21 4.34 -0.00 -1.99 -3.34 114.38 121.41 3gtq h ARG 398 Ca -0.44 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 58.95 3gtq h ARG 398 Cb 1.21 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.12 3gtq h ARG 398 CO 0.94 0.00 -0.16 -0.25 0.00 0.00 0.00 179.97 180.49 3gtq n ASP 399 N -2.85 2.45 -4.69 7.04 8.00 -1.26 -4.93 116.55 120.30 3gtq n ASP 399 Ca 0.04 -3.63 -0.42 0.00 0.71 0.00 0.00 54.79 51.49 3gtq n ASP 399 Cb 0.48 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 3gtq n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gtq s HIS 400 N -3.15 3.07 -0.60 1.24 2.46 -1.26 -4.75 115.29 112.30 3gtq s HIS 400 Ca 0.41 1.03 0.25 0.00 0.47 0.00 0.00 55.06 57.22 3gtq s HIS 400 Cb 0.37 -3.55 0.59 0.00 -0.13 0.00 0.00 32.58 29.86 3gtq s HIS 400 CO -0.00 -1.90 1.68 0.35 -2.47 0.00 0.00 174.74 172.39 3gtq h PHE 401 N 7.50 0.00 -0.53 3.88 3.57 -1.92 -2.94 116.94 126.50 3gtq h PHE 401 Ca -0.37 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.80 3gtq h PHE 401 Cb 1.18 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.76 3gtq h PHE 401 CO 0.73 0.00 0.42 0.41 -2.23 0.00 0.00 178.31 177.64 3gtq n GLY 402 N 1.23 3.89 0.32 2.40 0.00 -1.26 -3.30 105.19 108.47 3gtq n GLY 402 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3gtq n GLY 402 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtq n LYS 403 N -0.04 0.00 -4.33 1.61 4.81 -1.11 -4.35 118.16 114.75 3gtq n LYS 403 Ca 0.33 -0.47 -0.18 0.00 -0.87 0.00 0.00 58.31 57.13 3gtq n LYS 403 Cb 0.81 -0.28 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 3gtq n LYS 403 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3gtq s LYS 404 N 0.00 1.29 0.07 1.64 0.00 -1.21 -2.59 119.74 118.94 3gtq s LYS 404 Ca 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 55.97 54.47 3gtq s LYS 404 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 37.83 36.83 3gtq s LYS 404 CO 0.00 0.12 -0.23 1.03 0.00 0.00 0.00 175.35 176.27 3gtq s ARG 405 N -3.70 1.81 -0.03 1.78 1.81 0.96 -4.70 118.95 116.88 3gtq s ARG 405 Ca 0.22 -1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 52.94 3gtq s ARG 405 Cb 0.01 -2.05 -0.05 0.00 -0.45 0.00 0.00 34.95 32.41 3gtq s ARG 405 CO 0.06 0.51 0.46 -0.51 -0.68 0.00 0.00 175.30 175.14 3gtq s LEU 406 N -1.56 4.42 -0.35 2.53 1.43 0.28 -1.78 118.68 123.65 3gtq s LEU 406 Ca 0.14 0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 3gtq s LEU 406 Cb -0.10 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.48 3gtq s LEU 406 CO 0.05 0.20 0.13 -1.81 0.23 0.00 0.00 176.35 175.15 3gtq s ASP 407 N -0.49 5.40 0.70 2.29 1.01 0.26 -4.22 116.67 121.62 3gtq s ASP 407 Ca 0.25 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.36 3gtq s ASP 407 Cb -0.17 -1.90 0.13 0.00 1.01 0.00 0.00 42.92 41.99 3gtq s ASP 407 CO 0.13 -0.36 0.97 -0.76 0.21 0.00 0.00 175.17 175.37 3gtq s LEU 408 N 1.42 2.97 0.16 1.23 2.01 -1.26 -0.90 118.68 124.31 3gtq s LEU 408 Ca -0.01 -0.54 -0.25 0.00 0.01 0.00 0.00 54.13 53.35 3gtq s LEU 408 Cb -0.20 -1.77 -0.00 0.00 0.01 0.00 0.00 46.19 44.23 3gtq s LEU 408 CO 0.03 -1.82 1.37 0.00 1.01 0.00 0.00 176.35 176.94 3gtq n ALA 409 N -2.74 -0.47 0.13 4.21 0.00 -1.26 -1.32 120.51 119.06 3gtq n ALA 409 Ca 0.16 0.78 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 3gtq n ALA 409 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3gtq n ALA 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gtq h GLY 410 N 0.00 -0.69 1.78 0.00 0.00 -1.88 -1.27 103.07 101.02 3gtq h GLY 410 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3gtq h GLY 410 CO -0.84 -0.24 0.00 -1.05 0.00 0.00 0.00 176.54 174.41 3gtq n PRO 411 N -3.26 0.04 -0.04 4.80 -0.02 -1.18 -0.78 135.00 134.54 3gtq n PRO 411 Ca -0.05 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 3gtq n PRO 411 Cb 0.16 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 3gtq n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3gtq h LEU 412 N 0.00 -0.03 -1.81 2.45 3.38 -0.84 -3.29 115.31 115.17 3gtq h LEU 412 Ca 0.00 -0.67 0.15 0.00 0.09 0.00 0.00 57.88 57.46 3gtq h LEU 412 Cb 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3gtq h LEU 412 CO 0.00 0.76 0.44 -0.07 0.09 0.00 0.00 178.44 179.66 3gtq h LEU 413 N -0.94 0.17 -0.34 1.67 3.38 0.24 -2.49 115.31 117.02 3gtq h LEU 413 Ca -0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3gtq h LEU 413 Cb 0.69 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3gtq h LEU 413 CO 0.01 0.09 0.09 0.00 0.09 0.00 0.00 178.44 178.72 3gtq h ALA 414 N 1.69 0.37 -0.04 1.53 0.00 -1.08 0.70 119.26 122.43 3gtq h ALA 414 Ca 0.30 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3gtq h ALA 414 Cb 0.94 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3gtq h ALA 414 CO -0.05 -0.32 -0.23 1.96 0.00 0.00 0.00 179.25 180.61 3gtq h GLN 415 N 0.21 -0.33 0.35 0.00 4.20 -1.51 -1.07 115.11 116.98 3gtq h GLN 415 Ca 0.16 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3gtq h GLN 415 Cb 0.16 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3gtq h GLN 415 CO -0.19 -0.22 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.29 3gtq h LEU 416 N -0.34 -1.09 -1.84 1.46 3.38 -1.42 -1.37 115.31 114.08 3gtq h LEU 416 Ca 0.07 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3gtq h LEU 416 Cb 0.44 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3gtq h LEU 416 CO -0.24 -0.54 -0.08 0.15 0.09 0.00 0.00 178.44 177.83 3gtq h PHE 417 N -0.79 0.00 -0.09 1.13 3.57 0.67 1.24 116.94 122.67 3gtq h PHE 417 Ca -0.02 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3gtq h PHE 417 Cb 0.72 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3gtq h PHE 417 CO -0.24 0.08 -0.06 0.87 -2.23 0.00 0.00 178.31 176.74 3gtq h LYS 418 N 0.00 0.20 0.55 1.11 1.57 -1.06 0.29 116.57 119.22 3gtq h LYS 418 Ca -0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3gtq h LYS 418 Cb 0.15 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3gtq h LYS 418 CO 0.01 0.58 -0.26 1.15 -0.57 0.00 0.00 179.45 180.35 3gtq h THR 419 N -0.19 0.45 -0.68 -0.16 2.02 0.41 -0.81 112.91 113.95 3gtq h THR 419 Ca 0.02 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.19 3gtq h THR 419 Cb 0.53 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3gtq h THR 419 CO 0.02 0.01 0.42 -0.07 0.37 0.00 0.00 175.52 176.26 3gtq h LEU 420 N -0.77 0.67 -0.82 2.58 3.38 0.13 -0.51 115.31 119.98 3gtq h LEU 420 Ca -0.08 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3gtq h LEU 420 Cb 0.58 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gtq h LEU 420 CO 0.12 0.46 -0.29 0.15 0.09 0.00 0.00 178.44 178.97 3gtq h PHE 421 N 0.81 0.63 0.00 1.13 3.57 -0.85 -1.58 116.94 120.64 3gtq h PHE 421 Ca 0.28 -0.15 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 3gtq h PHE 421 Cb 0.06 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3gtq h PHE 421 CO -0.05 0.78 -0.67 -0.22 -2.23 0.00 0.00 178.31 175.93 3gtq h LYS 422 N 0.47 0.00 -0.68 1.11 3.64 -0.60 0.49 116.57 121.01 3gtq h LYS 422 Ca 0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3gtq h LYS 422 Cb 0.75 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3gtq h LYS 422 CO 0.06 0.67 0.24 -0.22 -2.27 0.00 0.00 179.45 177.92 3gtq h LYS 423 N 0.00 1.04 -0.00 1.90 1.63 -0.82 -1.96 116.57 118.36 3gtq h LYS 423 Ca -0.01 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 3gtq h LYS 423 Cb 1.29 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3gtq h LYS 423 CO 0.09 0.88 0.00 1.25 -3.45 0.00 0.00 179.45 178.22 3gtq h LEU 424 N 0.98 0.00 -0.88 5.20 6.46 -0.80 -2.56 115.31 123.71 3gtq h LEU 424 Ca 0.22 -0.30 0.23 0.00 -0.12 0.00 0.00 57.88 57.92 3gtq h LEU 424 Cb 0.26 -0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.04 3gtq h LEU 424 CO -0.01 0.30 0.18 0.74 -0.62 0.00 0.00 178.44 179.03 3gtq h THR 425 N -0.30 0.27 0.00 1.05 2.02 0.09 -0.06 112.91 115.99 3gtq h THR 425 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gtq h THR 425 Cb 0.30 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3gtq h THR 425 CO 0.00 0.03 -0.10 0.07 0.37 0.00 0.00 175.52 175.89 3gtq h LYS 426 N 0.16 0.00 0.00 6.66 2.10 -1.28 -2.64 116.57 121.58 3gtq h LYS 426 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3gtq h LYS 426 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3gtq h LYS 426 CO -0.69 0.00 -0.01 -0.44 -2.00 0.00 0.00 179.45 176.30 3gtq h ASP 427 N 0.00 0.00 -0.18 7.07 3.32 -0.60 -3.09 116.42 122.94 3gtq h ASP 427 Ca 0.00 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3gtq h ASP 427 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3gtq h ASP 427 CO 0.00 0.00 -0.44 0.40 -1.72 0.00 0.00 179.24 177.48 3gtq h ILE 428 N 0.00 1.33 -0.12 0.35 1.08 -1.01 -2.45 117.51 116.70 3gtq h ILE 428 Ca 0.00 -1.69 0.04 0.00 -0.39 0.00 0.00 64.86 62.83 3gtq h ILE 428 Cb 0.88 1.94 -0.06 0.00 -3.07 0.00 0.00 36.82 36.51 3gtq h ILE 428 CO 0.00 0.52 -0.35 -0.26 -0.69 0.00 0.00 178.15 177.37 3gtq h PHE 429 N 0.27 -0.98 -0.12 1.37 0.05 -1.56 -2.09 116.94 113.88 3gtq h PHE 429 Ca -0.01 0.04 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 3gtq h PHE 429 Cb 1.05 0.45 -0.01 0.00 2.00 0.00 0.00 35.95 39.44 3gtq h PHE 429 CO 0.09 -0.43 -0.15 0.00 -0.18 0.00 0.00 178.31 177.65 3gtq h ARG 430 N -0.44 0.18 -0.25 1.51 3.08 -1.52 0.69 114.38 117.64 3gtq h ARG 430 Ca 0.09 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3gtq h ARG 430 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3gtq h ARG 430 CO -0.36 0.34 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.51 3gtq h TYR 431 N 0.17 0.78 0.00 3.04 3.20 -1.35 -3.13 116.97 119.69 3gtq h TYR 431 Ca 0.03 -0.24 -0.16 0.00 3.14 0.00 0.00 58.73 61.50 3gtq h TYR 431 Cb 0.38 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3gtq h TYR 431 CO 0.00 0.98 -1.02 1.98 -1.64 0.00 0.00 178.16 178.46 3gtq h MET 432 N 0.52 0.00 0.00 1.82 4.05 -0.48 -2.97 114.93 117.87 3gtq h MET 432 Ca 0.03 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.26 3gtq h MET 432 Cb 0.98 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.80 3gtq h MET 432 CO 0.09 0.52 -0.77 1.96 0.23 0.00 0.00 176.91 178.95 3gtq h GLN 433 N 0.00 0.52 -0.00 0.39 4.20 0.26 -3.09 115.11 117.38 3gtq h GLN 433 Ca -0.09 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.07 3gtq h GLN 433 Cb 1.59 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.53 3gtq h GLN 433 CO 0.07 1.19 -0.00 0.54 -0.67 0.00 0.00 178.83 179.96 3gtq n ARG 434 N -4.09 0.81 -0.03 1.46 1.74 -1.18 -3.18 116.66 112.19 3gtq n ARG 434 Ca -0.11 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.80 3gtq n ARG 434 Cb 0.75 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.57 3gtq n ARG 434 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gtq h THR 435 N 0.06 1.62 0.00 0.55 2.02 -1.44 -3.47 112.91 112.24 3gtq h THR 435 Ca 0.00 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.09 3gtq h THR 435 Cb 0.12 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3gtq h THR 435 CO 0.00 0.56 0.00 1.33 0.37 0.00 0.00 175.52 177.78 3gtq n VAL 436 N -4.52 0.00 0.00 3.16 0.24 -1.19 -5.10 118.33 110.92 3gtq n VAL 436 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3gtq n VAL 436 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3gtq n VAL 436 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gtq n GLU 437 N 0.00 0.00 -3.85 7.34 1.02 -1.26 -5.12 120.64 118.77 3gtq n GLU 437 Ca 0.00 0.30 -0.33 0.00 -0.02 0.00 0.00 57.16 57.11 3gtq n GLU 437 Cb 0.00 -1.17 -0.12 0.00 -0.02 0.00 0.00 31.44 30.13 3gtq n GLU 437 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gtq s LEU 446 N -2.80 4.84 0.00 -4.62 0.20 -1.26 -5.26 118.68 109.78 3gtq s LEU 446 Ca 0.00 -2.69 0.00 0.00 0.69 0.00 0.00 54.13 52.13 3gtq s LEU 446 Cb 0.00 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 3gtq s LEU 446 CO 0.00 -0.35 0.00 0.00 -0.29 0.00 0.00 176.35 175.71 3gtq n ALA 447 N 3.62 0.00 -1.60 5.97 0.00 -1.26 -4.88 120.51 122.36 3gtq n ALA 447 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.02 3gtq n ALA 447 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 3gtq n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtq n ILE 448 N 0.00 0.45 0.29 0.00 2.08 -1.26 -4.88 119.36 116.04 3gtq n ILE 448 Ca 0.00 -0.25 0.16 0.00 0.56 0.00 0.00 62.75 63.22 3gtq n ILE 448 Cb 0.00 -2.08 0.60 0.00 -0.75 0.00 0.00 39.64 37.41 3gtq n ILE 448 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3gtq h ASN 449 N 11.82 0.00 0.00 4.38 -1.24 -1.93 -3.46 115.58 125.15 3gtq h ASN 449 Ca -0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.59 3gtq h ASN 449 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 3gtq h ASN 449 CO 0.97 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.11 3gtq n ALA 450 N -2.05 0.00 -0.16 1.57 0.00 -1.26 -3.70 120.51 114.91 3gtq n ALA 450 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 3gtq n ALA 450 Cb 0.33 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.43 3gtq n ALA 450 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gtq h LYS 451 N 0.00 0.13 -0.58 0.00 3.11 -1.93 -1.30 116.57 116.00 3gtq h LYS 451 Ca 0.00 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.89 3gtq h LYS 451 Cb 0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 31.11 3gtq h LYS 451 CO 0.00 0.09 -0.56 1.15 -2.81 0.00 0.00 179.45 177.32 3gtq h THR 452 N 0.14 0.00 -0.60 1.00 2.02 -1.97 0.33 112.91 113.83 3gtq h THR 452 Ca 0.40 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.51 3gtq h THR 452 Cb 1.36 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3gtq h THR 452 CO -0.06 0.00 0.09 0.40 0.37 0.00 0.00 175.52 176.32 3gtq h ILE 453 N -0.27 1.26 0.00 3.11 2.04 -1.61 -3.27 117.51 118.77 3gtq h ILE 453 Ca 0.10 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3gtq h ILE 453 Cb 0.53 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3gtq h ILE 453 CO -0.69 0.37 0.00 0.41 0.00 0.00 0.00 178.15 178.24 3gtq n THR 454 N -4.30 0.00 0.04 -0.27 -1.04 0.20 -2.35 114.28 106.56 3gtq n THR 454 Ca 0.03 0.78 0.21 0.00 -2.04 0.00 0.00 64.05 63.03 3gtq n THR 454 Cb 0.28 -1.60 0.64 0.00 -1.82 0.00 0.00 70.33 67.83 3gtq n THR 454 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3gtq h SER 455 N 0.00 0.00 -0.05 8.00 4.64 -0.67 0.24 113.55 125.71 3gtq h SER 455 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3gtq h SER 455 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3gtq h SER 455 CO 0.00 0.00 -0.78 1.23 -0.87 0.00 0.00 176.83 176.41 3gtq h GLY 456 N 0.00 0.78 -0.43 -0.77 0.00 -1.60 0.27 103.07 101.31 3gtq h GLY 456 Ca 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.48 3gtq h GLY 456 CO -0.00 0.99 0.00 1.04 0.00 0.00 0.00 176.54 178.56 3gtq n LEU 457 N -3.91 0.58 -0.05 3.11 4.77 0.05 -2.67 117.00 118.90 3gtq n LEU 457 Ca -0.07 -0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 55.53 3gtq n LEU 457 Cb 0.75 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3gtq n LEU 457 CO 0.52 0.14 -0.59 0.29 -1.33 0.00 0.00 177.39 176.41 3gtq n LYS 458 N -0.21 0.32 0.23 3.23 5.02 -0.81 -4.07 118.16 121.87 3gtq n LYS 458 Ca 0.03 0.13 0.15 0.00 -2.02 0.00 0.00 58.31 56.59 3gtq n LYS 458 Cb 0.10 -1.05 0.79 0.00 -0.02 0.00 0.00 35.03 34.86 3gtq n LYS 458 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3gtq h TYR 459 N -0.58 0.00 0.06 2.13 -0.00 -0.58 2.33 116.97 120.33 3gtq h TYR 459 Ca -0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.46 3gtq h TYR 459 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.54 3gtq h TYR 459 CO -0.19 0.00 -0.74 0.00 -0.00 0.00 0.00 178.16 177.23 3gtq h ALA 460 N 1.89 0.07 0.00 1.82 0.00 -1.74 -3.25 119.26 118.05 3gtq h ALA 460 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3gtq h ALA 460 Cb 0.27 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gtq h ALA 460 CO -0.00 0.40 0.00 1.25 0.00 0.00 0.00 179.25 180.90 3gtq h LEU 461 N -0.70 0.00 -0.09 0.00 5.85 -1.40 -0.88 115.31 118.09 3gtq h LEU 461 Ca -0.17 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.33 3gtq h LEU 461 Cb 1.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3gtq h LEU 461 CO 0.01 0.00 -1.01 0.00 -0.34 0.00 0.00 178.44 177.10 3gtq h ALA 462 N 2.40 0.36 0.00 1.25 0.00 0.38 -3.43 119.26 120.22 3gtq h ALA 462 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3gtq h ALA 462 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gtq h ALA 462 CO 0.00 1.05 -0.79 0.25 0.00 0.00 0.00 179.25 179.76 3gtq n THR 463 N -3.52 0.00 -0.31 0.00 -2.24 -1.15 -5.01 114.28 102.05 3gtq n THR 463 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3gtq n THR 463 Cb 0.91 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3gtq n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gtq n GLY 464 N 2.75 0.84 2.29 3.38 0.00 -0.35 -4.25 105.19 109.85 3gtq n GLY 464 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3gtq n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtq n ASN 465 N 0.13 7.85 -4.22 1.61 3.02 -1.26 -2.63 115.26 119.76 3gtq n ASN 465 Ca 0.00 -2.69 -0.07 0.00 -0.03 0.00 0.00 54.58 51.79 3gtq n ASN 465 Cb 0.00 -1.48 -0.06 0.00 -0.61 0.00 0.00 39.78 37.63 3gtq n ASN 465 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3gtq n TRP 466 N 2.88 0.26 0.00 3.10 -0.00 -1.26 -3.76 117.44 118.66 3gtq n TRP 466 Ca 0.67 -0.04 0.00 0.00 -0.00 0.00 0.00 57.50 58.14 3gtq n TRP 466 Cb 0.38 -1.08 0.00 0.00 -0.00 0.00 0.00 31.31 30.61 3gtq n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtq n GLY 467 N 5.11 -0.09 7.00 5.87 0.00 -1.26 -4.86 105.19 116.96 3gtq n GLY 467 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3gtq n GLY 467 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gtq n GLU 468 N 0.00 0.00 -0.52 1.61 4.07 -1.25 -4.02 120.64 120.53 3gtq n GLU 468 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 3gtq n GLU 468 Cb 0.00 0.00 0.35 0.00 -0.06 0.00 0.00 31.44 31.73 3gtq n GLU 468 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtq n GLN 469 N 11.62 3.37 0.03 5.31 -0.00 -1.26 -4.73 117.38 131.72 3gtq n GLN 469 Ca 0.00 -2.81 -0.13 0.00 -0.00 0.00 0.00 57.00 54.06 3gtq n GLN 469 Cb 0.00 -1.77 -0.09 0.00 -0.00 0.00 0.00 30.24 28.38 3gtq n GLN 469 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3gtq h LYS 470 N 4.15 -0.08 0.00 2.61 1.57 -1.89 -3.47 116.57 119.47 3gtq h LYS 470 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gtq h LYS 470 Cb 1.28 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3gtq h LYS 470 CO 0.15 0.27 0.00 0.36 -0.57 0.00 0.00 179.45 179.65 3gtq n LYS 471 N -4.96 0.00 -0.14 3.15 -0.00 -1.26 -4.69 118.16 110.25 3gtq n LYS 471 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.20 3gtq n LYS 471 Cb 0.20 -1.90 0.05 0.00 -0.00 0.00 0.00 35.03 33.38 3gtq n LYS 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gtq h ALA 472 N 0.00 0.45 -1.99 0.58 0.00 -1.97 -2.79 119.26 113.55 3gtq h ALA 472 Ca 0.00 0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.47 3gtq h ALA 472 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gtq h ALA 472 CO 0.00 -0.37 1.09 -1.64 0.00 0.00 0.00 179.25 178.33 3gtq s MET 473 N -6.17 3.79 1.41 0.00 -1.94 -1.26 -4.88 119.30 110.25 3gtq s MET 473 Ca -0.13 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.33 3gtq s MET 473 Cb 0.15 -4.00 0.00 0.00 2.01 0.00 0.00 34.83 32.99 3gtq s MET 473 CO 0.72 -1.30 0.00 -1.13 -0.01 0.00 0.00 175.02 173.30 3gtq n SER 474 N 8.34 -3.18 0.00 3.03 3.41 -1.06 -4.74 113.62 119.42 3gtq n SER 474 Ca 0.18 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3gtq n SER 474 Cb 0.46 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3gtq n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gtq n SER 475 N -1.18 0.00 0.00 4.04 3.41 -1.26 -4.44 113.62 114.19 3gtq n SER 475 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gtq n SER 475 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3gtq n SER 475 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtq n ARG 476 N 0.00 0.00 -0.26 4.33 1.74 -1.24 -4.57 116.66 116.66 3gtq n ARG 476 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3gtq n ARG 476 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3gtq n ARG 476 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtq n ALA 477 N 5.63 0.00 -3.65 7.54 0.00 -1.26 -2.75 120.51 126.02 3gtq n ALA 477 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3gtq n ALA 477 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.02 3gtq n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtq n GLY 478 N 0.13 -1.20 2.88 0.00 0.00 -1.08 -4.64 105.19 101.28 3gtq n GLY 478 Ca 0.00 0.52 -0.00 0.00 0.00 0.00 0.00 46.02 46.54 3gtq n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtq n VAL 479 N -2.97 0.02 0.00 1.61 0.31 -1.11 -3.01 118.33 113.18 3gtq n VAL 479 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3gtq n VAL 479 Cb 0.62 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3gtq n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gtq n SER 480 N 4.53 0.00 -4.53 4.52 2.88 -0.91 -4.44 113.62 115.67 3gtq n SER 480 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 3gtq n SER 480 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.62 3gtq n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gtq n GLN 481 N 0.00 -0.55 -1.52 -1.46 6.02 -0.32 -4.26 117.38 115.29 3gtq n GLN 481 Ca 0.00 -0.11 -0.40 0.00 -0.01 0.00 0.00 57.00 56.49 3gtq n GLN 481 Cb 0.00 -2.11 -0.02 0.00 1.02 0.00 0.00 30.24 29.12 3gtq n GLN 481 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3gtq n VAL 482 N -4.03 4.49 0.00 5.09 0.24 -1.26 0.68 118.33 123.55 3gtq n VAL 482 Ca 0.09 -3.06 0.00 0.00 -2.04 0.00 0.00 64.34 59.33 3gtq n VAL 482 Cb 0.53 -2.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.42 3gtq n VAL 482 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3gtq n LEU 483 N 3.30 0.00 -3.28 1.34 0.00 -1.25 -4.74 117.00 112.37 3gtq n LEU 483 Ca 0.73 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.76 3gtq n LEU 483 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.65 3gtq n LEU 483 CO 0.82 0.00 0.31 0.21 0.00 0.00 0.00 177.39 178.73 3gtq s ASN 484 N -2.44 -1.09 -0.69 1.96 2.47 -1.26 -4.96 114.94 108.94 3gtq s ASN 484 Ca 0.00 0.91 0.05 0.00 0.42 0.00 0.00 52.86 54.25 3gtq s ASN 484 Cb 0.00 2.00 0.19 0.00 -1.45 0.00 0.00 41.25 41.99 3gtq s ASN 484 CO 0.00 -0.20 0.54 0.54 -3.72 0.00 0.00 177.10 174.26 3gtq n ARG 485 N 5.39 1.93 -0.06 0.43 3.00 -1.26 -2.51 116.66 123.58 3gtq n ARG 485 Ca -0.05 -4.49 -0.12 0.00 -0.01 0.00 0.00 57.85 53.18 3gtq n ARG 485 Cb 0.51 -2.26 -0.04 0.00 0.00 0.00 0.00 32.46 30.67 3gtq n ARG 485 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 3gtq n TYR 486 N 1.75 0.00 -3.84 -1.55 9.36 -1.26 -4.82 117.16 116.79 3gtq n TYR 486 Ca 0.22 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.25 3gtq n TYR 486 Cb 0.37 -0.47 -0.17 0.00 -0.63 0.00 0.00 39.34 38.44 3gtq n TYR 486 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3gtq s THR 487 N -2.48 0.16 0.00 2.97 2.01 -1.26 -4.20 115.64 112.85 3gtq s THR 487 Ca -0.22 0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3gtq s THR 487 Cb 0.06 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.27 3gtq s THR 487 CO 0.30 0.18 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 3gtq n TYR 488 N 4.58 0.00 0.40 4.92 9.36 -1.26 0.24 117.16 135.40 3gtq n TYR 488 Ca -0.18 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.09 3gtq n TYR 488 Cb 0.50 -0.19 0.22 0.00 -0.63 0.00 0.00 39.34 39.24 3gtq n TYR 488 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gtq n SER 489 N -2.24 0.00 0.09 2.98 3.41 -1.26 -1.07 113.62 115.52 3gtq n SER 489 Ca 0.00 0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.82 3gtq n SER 489 Cb 0.00 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 3gtq n SER 489 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3gtq h SER 490 N 0.00 -0.27 -0.63 4.04 4.64 0.28 -1.72 113.55 119.90 3gtq h SER 490 Ca 0.00 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3gtq h SER 490 Cb 0.11 0.07 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 3gtq h SER 490 CO 0.00 0.20 -0.37 0.74 -0.87 0.00 0.00 176.83 176.53 3gtq h THR 491 N -1.08 0.13 -0.54 2.95 2.02 -0.80 1.20 112.91 116.80 3gtq h THR 491 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 3gtq h THR 491 Cb 0.26 0.13 -0.10 0.00 -1.74 0.00 0.00 68.15 66.69 3gtq h THR 491 CO 0.05 0.00 -0.14 -0.07 0.37 0.00 0.00 175.52 175.73 3gtq h LEU 492 N -0.16 -0.52 0.00 2.58 3.38 -1.46 -1.25 115.31 117.88 3gtq h LEU 492 Ca 0.23 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 3gtq h LEU 492 Cb 0.56 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3gtq h LEU 492 CO -0.71 -0.18 -0.00 0.28 0.09 0.00 0.00 178.44 177.91 3gtq h SER 493 N -0.01 -0.00 0.00 -0.43 0.02 -0.46 -3.28 113.55 109.38 3gtq h SER 493 Ca 0.26 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3gtq h SER 493 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3gtq h SER 493 CO -0.56 0.47 0.05 -0.74 -1.14 0.00 0.00 176.83 174.90 3gtq h HIS 494 N -0.48 0.00 0.00 3.45 -0.00 0.22 0.31 115.15 118.66 3gtq h HIS 494 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gtq h HIS 494 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3gtq h HIS 494 CO 0.09 0.00 -0.25 -0.07 -0.00 0.00 0.00 177.93 177.70 3gtq h LEU 495 N 0.00 0.00 -3.19 0.26 3.38 -1.32 -3.32 115.31 111.12 3gtq h LEU 495 Ca 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3gtq h LEU 495 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gtq h LEU 495 CO 0.00 0.04 -0.04 0.54 0.09 0.00 0.00 178.44 179.07 3gtq n ARG 496 N -2.25 2.19 -3.22 1.13 1.74 0.11 -4.89 116.66 111.47 3gtq n ARG 496 Ca 0.05 -2.85 -0.31 0.00 -0.77 0.00 0.00 57.85 53.97 3gtq n ARG 496 Cb 0.44 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3gtq n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gtq s ARG 497 N -2.94 3.78 -0.23 5.56 3.52 -1.18 -2.59 118.95 124.88 3gtq s ARG 497 Ca 0.39 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3gtq s ARG 497 Cb 0.34 -2.56 0.07 0.00 -1.56 0.00 0.00 34.95 31.24 3gtq s ARG 497 CO 0.05 0.18 0.02 0.99 -0.81 0.00 0.00 175.30 175.73 3gtq s THR 498 N -2.05 0.91 0.40 4.11 2.01 0.81 -2.85 115.64 118.98 3gtq s THR 498 Ca 0.48 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3gtq s THR 498 Cb -0.11 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.00 3gtq s THR 498 CO 0.25 -0.27 0.57 0.54 -0.69 0.00 0.00 174.62 175.02 3gtq s ASN 499 N 1.66 5.84 -0.06 3.53 2.20 -0.65 -0.52 114.94 126.94 3gtq s ASN 499 Ca -0.00 -0.04 -0.02 0.00 -0.94 0.00 0.00 52.86 51.86 3gtq s ASN 499 Cb -0.18 -1.25 0.04 0.00 -2.00 0.00 0.00 41.25 37.86 3gtq s ASN 499 CO -0.11 -0.61 0.12 -0.89 -2.94 0.00 0.00 177.10 172.67 3gtq s THR 500 N -2.37 -0.12 0.00 0.54 2.01 -1.22 -1.75 115.64 112.74 3gtq s THR 500 Ca 0.48 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.75 3gtq s THR 500 Cb -0.10 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.19 3gtq s THR 500 CO 0.34 0.11 0.00 -0.81 -0.69 0.00 0.00 174.62 173.57 3gtq n PRO 501 N 4.69 -1.25 0.00 4.92 -0.04 -1.26 -4.83 135.00 137.23 3gtq n PRO 501 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3gtq n PRO 501 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3gtq n PRO 501 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3gtq n ILE 502 N -2.61 0.00 0.00 0.52 3.06 -1.26 -5.13 119.36 113.94 3gtq n ILE 502 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3gtq n ILE 502 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3gtq n ILE 502 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3gtq n ALA 509 N 10.39 0.00 -3.90 1.51 0.00 -1.26 -5.22 120.51 122.03 3gtq n ALA 509 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3gtq n ALA 509 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3gtq n ALA 509 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gtq s LYS 510 N 0.00 2.26 0.00 0.00 3.01 -1.26 -4.97 119.74 118.78 3gtq s LYS 510 Ca 0.00 -2.92 0.28 0.00 -1.01 0.00 0.00 55.97 52.32 3gtq s LYS 510 Cb 0.00 -3.41 1.08 0.00 -1.01 0.00 0.00 37.83 34.48 3gtq s LYS 510 CO 0.00 -1.19 1.77 -0.35 0.51 0.00 0.00 175.35 176.09 3gtq n PRO 511 N 2.67 0.60 -0.08 -1.68 -0.05 -1.26 -3.58 135.00 131.62 3gtq n PRO 511 Ca 0.11 -0.24 -0.11 0.00 -0.05 0.00 0.00 63.50 63.21 3gtq n PRO 511 Cb 0.34 -1.50 -0.15 0.00 -0.05 0.00 0.00 33.50 32.14 3gtq n PRO 511 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3gtq n ARG 512 N -0.99 0.67 -1.65 0.54 1.74 -1.26 -4.65 116.66 111.06 3gtq n ARG 512 Ca 0.13 0.10 -0.44 0.00 -0.77 0.00 0.00 57.85 56.87 3gtq n ARG 512 Cb 0.30 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3gtq n ARG 512 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3gtq n GLN 513 N -2.93 1.80 -2.26 5.56 -0.06 -1.24 -4.61 117.38 113.64 3gtq n GLN 513 Ca -0.31 0.63 -0.43 0.00 -2.00 0.00 0.00 57.00 54.90 3gtq n GLN 513 Cb 1.11 -2.14 -0.02 0.00 -4.06 0.00 0.00 30.24 25.12 3gtq n GLN 513 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3gtq s LEU 514 N -0.31 4.13 0.02 1.69 2.96 -1.26 -5.02 118.68 120.91 3gtq s LEU 514 Ca 0.58 1.76 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3gtq s LEU 514 Cb -0.64 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.48 3gtq s LEU 514 CO 0.60 -0.92 0.06 -2.28 -1.32 0.00 0.00 176.35 172.49 3gtq s HIS 515 N 4.02 3.21 0.38 5.38 5.65 -1.26 -5.01 115.29 127.66 3gtq s HIS 515 Ca 0.62 0.14 0.18 0.00 0.25 0.00 0.00 55.06 56.25 3gtq s HIS 515 Cb -0.25 -1.68 1.12 0.00 -1.18 0.00 0.00 32.58 30.59 3gtq s HIS 515 CO 0.22 0.52 1.72 -0.91 -0.65 0.00 0.00 174.74 175.64 3gtq h ASN 516 N 3.89 0.46 0.68 9.88 -0.26 -1.95 0.66 115.58 128.94 3gtq h ASN 516 Ca -0.48 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 3gtq h ASN 516 Cb 1.17 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3gtq h ASN 516 CO 0.62 0.01 0.00 0.35 -1.06 0.00 0.00 177.43 177.35 3gtq n THR 517 N -4.75 0.19 0.43 2.81 -2.24 -1.26 -2.28 114.28 107.17 3gtq n THR 517 Ca 0.29 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 3gtq n THR 517 Cb 0.97 -0.61 0.48 0.00 -2.10 0.00 0.00 70.33 69.08 3gtq n THR 517 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gtq n HIS 518 N -1.39 0.81 -1.50 4.78 8.25 0.23 -4.66 115.22 121.74 3gtq n HIS 518 Ca 0.10 0.31 -0.48 0.00 -0.26 0.00 0.00 57.72 57.38 3gtq n HIS 518 Cb 0.25 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 3gtq n HIS 518 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3gtq n TRP 519 N -2.23 1.74 -2.02 4.41 -0.00 -0.96 -0.83 117.44 117.54 3gtq n TRP 519 Ca 0.03 0.14 -0.11 0.00 -0.00 0.00 0.00 57.50 57.55 3gtq n TRP 519 Cb 0.25 -2.60 -0.01 0.00 -0.00 0.00 0.00 31.31 28.95 3gtq n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtq n GLY 520 N 6.22 0.19 1.44 5.87 0.00 -1.26 -4.81 105.19 112.84 3gtq n GLY 520 Ca 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3gtq n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtq n LEU 521 N -1.55 0.00 -4.90 0.99 4.77 -0.01 -4.56 117.00 111.73 3gtq n LEU 521 Ca -0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.52 3gtq n LEU 521 Cb 0.55 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3gtq n LEU 521 CO 0.16 -0.22 -0.14 -0.69 -1.33 0.00 0.00 177.39 175.17 3gtq s VAL 522 N -2.00 5.40 0.03 4.08 1.01 -0.31 -0.65 120.40 127.95 3gtq s VAL 522 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3gtq s VAL 522 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3gtq s VAL 522 CO 0.00 0.29 1.24 0.00 0.00 0.00 0.00 175.10 176.63 3gtq h PRO 524 N 7.13 0.82 0.15 0.00 0.13 -1.91 -3.35 132.00 134.97 3gtq h PRO 524 Ca -0.39 -0.40 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 3gtq h PRO 524 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gtq h PRO 524 CO 0.85 1.03 -0.07 0.00 -0.23 0.00 0.00 178.00 179.58 3gtq h ALA 525 N 0.77 -0.20 -1.56 -0.56 0.00 -1.93 -3.44 119.26 112.34 3gtq h ALA 525 Ca 0.07 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.28 3gtq h ALA 525 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3gtq h ALA 525 CO 0.07 -0.25 1.48 -2.00 0.00 0.00 0.00 179.25 178.55 3gtq s GLU 526 N -2.99 2.41 -0.19 0.00 2.12 -1.26 -4.44 118.70 114.35 3gtq s GLU 526 Ca -0.11 1.01 -0.26 0.00 0.36 0.00 0.00 54.97 55.96 3gtq s GLU 526 Cb 0.00 -4.47 0.07 0.00 0.26 0.00 0.00 34.13 29.99 3gtq s GLU 526 CO 0.39 -2.95 0.69 -0.08 -0.54 0.00 0.00 175.26 172.77 3gtq s THR 527 N 10.43 0.00 0.51 -1.70 -1.32 -1.26 -3.81 115.64 118.49 3gtq s THR 527 Ca 0.81 -0.01 -0.22 0.00 -1.21 0.00 0.00 61.69 61.07 3gtq s THR 527 Cb -0.15 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 3gtq s THR 527 CO 0.24 -0.00 1.28 -2.16 -2.21 0.00 0.00 174.62 171.76 3gtq s PRO 528 N -0.18 3.40 0.16 7.08 0.04 -1.26 -4.85 135.00 139.39 3gtq s PRO 528 Ca -0.04 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 3gtq s PRO 528 Cb -0.03 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 3gtq s PRO 528 CO 0.04 -0.92 0.95 -1.21 0.04 0.00 0.00 177.00 175.90 3gtq s GLU 529 N -2.81 4.76 1.44 4.56 2.02 -1.26 -4.05 118.70 123.35 3gtq s GLU 529 Ca 0.68 1.46 0.00 0.00 0.02 0.00 0.00 54.97 57.13 3gtq s GLU 529 Cb -0.36 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.54 3gtq s GLU 529 CO 0.43 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.45 3gtq n GLY 530 N 1.95 -0.17 6.20 -1.39 0.00 -1.26 -4.77 105.19 105.75 3gtq n GLY 530 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3gtq n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtq n GLN 531 N -0.88 0.00 -1.86 1.61 6.02 -1.26 -0.74 117.38 120.27 3gtq n GLN 531 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3gtq n GLN 531 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 3gtq n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtq n ALA 532 N 6.99 6.31 -1.98 -1.58 0.00 -1.26 -5.03 120.51 123.96 3gtq n ALA 532 Ca 0.00 -4.01 -0.43 0.00 0.00 0.00 0.00 53.44 49.00 3gtq n ALA 532 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3gtq n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtq n GLY 534 N 4.60 2.68 0.29 0.00 0.00 -1.26 -4.81 105.19 106.70 3gtq n GLY 534 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 3gtq n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gtq h LEU 535 N 0.00 0.81 -9.67 0.99 3.38 -1.74 -3.39 115.31 105.69 3gtq h LEU 535 Ca 0.00 -0.20 -0.54 0.00 0.09 0.00 0.00 57.88 57.23 3gtq h LEU 535 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3gtq h LEU 535 CO 0.00 0.87 0.11 -0.69 0.09 0.00 0.00 178.44 178.82 3gtq s VAL 536 N -4.99 4.56 0.03 1.22 1.01 -1.17 -3.37 120.40 117.69 3gtq s VAL 536 Ca -0.10 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 3gtq s VAL 536 Cb 0.14 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3gtq s VAL 536 CO 0.82 0.49 -0.01 -1.59 0.00 0.00 0.00 175.10 174.81 3gtq s LYS 537 N -0.85 0.45 0.01 2.72 0.00 0.32 -4.69 119.74 117.70 3gtq s LYS 537 Ca 0.34 -0.82 -0.02 0.00 0.00 0.00 0.00 55.97 55.48 3gtq s LYS 537 Cb -0.21 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 37.74 3gtq s LYS 537 CO 0.23 -0.08 0.17 -0.80 0.00 0.00 0.00 175.35 174.87 3gtq s ASN 538 N -2.01 6.24 0.28 0.03 0.01 -1.25 -0.13 114.94 118.11 3gtq s ASN 538 Ca -0.07 0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 52.07 3gtq s ASN 538 Cb -0.03 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.61 3gtq s ASN 538 CO -0.04 0.24 1.12 -0.76 -1.51 0.00 0.00 177.10 176.15 3gtq s LEU 539 N -2.07 4.54 0.91 0.60 1.43 -1.07 -0.80 118.68 122.22 3gtq s LEU 539 Ca 0.29 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.59 3gtq s LEU 539 Cb -0.13 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.61 3gtq s LEU 539 CO 0.20 -0.19 1.12 -0.94 0.23 0.00 0.00 176.35 176.77 3gtq s SER 540 N -0.80 3.08 0.40 2.29 1.04 0.17 -4.39 113.70 115.49 3gtq s SER 540 Ca 0.45 1.97 0.11 0.00 0.48 0.00 0.00 55.95 58.96 3gtq s SER 540 Cb -0.33 -2.49 0.91 0.00 0.10 0.00 0.00 66.02 64.21 3gtq s SER 540 CO 0.42 -2.97 1.94 -0.07 0.98 0.00 0.00 173.24 173.55 3gtq h LEU 541 N -1.77 0.51 -0.75 2.42 3.38 -0.69 -2.93 115.31 115.47 3gtq h LEU 541 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3gtq h LEU 541 Cb 1.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gtq h LEU 541 CO 0.46 0.30 -0.50 0.23 0.09 0.00 0.00 178.44 179.02 3gtq n MET 542 N -4.49 1.36 -2.24 1.13 2.81 -1.26 -4.96 117.12 109.48 3gtq n MET 542 Ca 0.12 -0.72 -0.41 0.00 -1.81 0.00 0.00 57.70 54.88 3gtq n MET 542 Cb 0.38 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 3gtq n MET 542 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3gtq s SER 543 N -2.29 6.94 0.00 7.83 1.04 -1.11 -4.35 113.70 121.76 3gtq s SER 543 Ca 0.14 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3gtq s SER 543 Cb 0.15 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3gtq s SER 543 CO 0.54 -0.44 0.00 0.00 0.98 0.00 0.00 173.24 174.32 3gtq s ILE 545 N -1.17 0.60 0.27 0.00 1.01 -1.26 -3.11 121.20 117.53 3gtq s ILE 545 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 3gtq s ILE 545 Cb 0.00 -0.61 -0.15 0.00 0.01 0.00 0.00 42.46 41.71 3gtq s ILE 545 CO 0.00 0.24 0.91 -0.24 0.00 0.00 0.00 174.94 175.85 3gtq n SER 546 N 4.04 0.77 -0.07 3.58 2.88 -0.14 -4.87 113.62 119.82 3gtq n SER 546 Ca -0.24 1.17 -0.09 0.00 -1.33 0.00 0.00 58.87 58.38 3gtq n SER 546 Cb 0.51 -1.22 -0.08 0.00 -0.75 0.00 0.00 64.21 62.67 3gtq n SER 546 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3gtq n VAL 547 N 0.21 0.85 0.00 2.46 3.14 -1.26 -1.26 118.33 122.47 3gtq n VAL 547 Ca 0.11 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3gtq n VAL 547 Cb 0.30 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 3gtq n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gtq n GLY 548 N 2.60 0.96 0.00 7.55 0.00 -1.26 -4.54 105.19 110.50 3gtq n GLY 548 Ca -0.24 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3gtq n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gtq n THR 549 N 0.00 0.00 -5.17 2.61 -1.04 -1.26 -4.91 114.28 104.50 3gtq n THR 549 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3gtq n THR 549 Cb 0.00 -0.82 -0.16 0.00 -1.82 0.00 0.00 70.33 67.53 3gtq n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtq s ASP 550 N -1.59 3.21 0.08 8.00 2.15 -1.26 -5.00 116.67 122.25 3gtq s ASP 550 Ca 0.00 -0.52 -0.14 0.00 0.43 0.00 0.00 52.55 52.33 3gtq s ASP 550 Cb 0.00 -1.29 -0.23 0.00 -0.30 0.00 0.00 42.92 41.10 3gtq s ASP 550 CO 0.00 0.18 1.20 1.55 -0.17 0.00 0.00 175.17 177.93 3gtq h PRO 551 N 6.54 0.71 0.00 4.34 0.13 -1.97 -3.38 132.00 138.37 3gtq h PRO 551 Ca -0.23 -0.76 -0.06 0.00 -0.87 0.00 0.00 66.00 64.08 3gtq h PRO 551 Cb 1.22 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 3gtq h PRO 551 CO 0.48 1.33 -0.29 0.00 -0.23 0.00 0.00 178.00 179.30 3gtq h MET 552 N 0.41 0.00 -0.84 0.86 -0.00 -1.98 -1.36 114.93 112.01 3gtq h MET 552 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 3gtq h MET 552 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.29 3gtq h MET 552 CO 0.20 0.29 0.00 -0.35 -0.00 0.00 0.00 176.91 177.05 3gtq n PRO 553 N -4.08 0.96 -0.04 -0.10 -0.04 -1.26 -0.84 135.00 129.60 3gtq n PRO 553 Ca -0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 3gtq n PRO 553 Cb 0.34 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 3gtq n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3gtq n ILE 554 N -0.05 1.08 -0.26 0.52 2.08 -0.55 -4.31 119.36 117.87 3gtq n ILE 554 Ca 0.00 0.08 0.12 0.00 0.56 0.00 0.00 62.75 63.51 3gtq n ILE 554 Cb 0.21 -1.83 0.23 0.00 -0.75 0.00 0.00 39.64 37.50 3gtq n ILE 554 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3gtq n ILE 555 N -3.79 -0.32 0.13 1.39 -0.00 -0.99 -0.02 119.36 115.77 3gtq n ILE 555 Ca -0.15 1.66 0.06 0.00 -0.00 0.00 0.00 62.75 64.32 3gtq n ILE 555 Cb 0.44 -2.43 0.03 0.00 -0.00 0.00 0.00 39.64 37.68 3gtq n ILE 555 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3gtq h THR 556 N 0.00 0.37 -0.04 1.39 1.03 -1.25 -2.77 112.91 111.64 3gtq h THR 556 Ca 0.47 -1.58 -0.06 0.00 -0.01 0.00 0.00 66.41 65.23 3gtq h THR 556 Cb 0.97 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 70.07 3gtq h THR 556 CO -0.71 0.21 -0.21 0.15 -0.01 0.00 0.00 175.52 174.95 3gtq h PHE 557 N 0.00 0.29 0.24 0.00 3.57 -0.63 -3.11 116.94 117.30 3gtq h PHE 557 Ca -0.04 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.34 3gtq h PHE 557 Cb 1.24 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 3gtq h PHE 557 CO 0.00 0.85 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.49 3gtq h LEU 558 N -0.36 -1.05 -1.58 0.59 3.38 -0.57 -2.37 115.31 113.36 3gtq h LEU 558 Ca -0.01 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3gtq h LEU 558 Cb 0.87 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 3gtq h LEU 558 CO 0.04 -0.48 0.54 0.77 0.09 0.00 0.00 178.44 179.40 3gtq h SER 559 N -0.68 0.38 -0.24 -0.43 4.64 -1.62 0.38 113.55 115.97 3gtq h SER 559 Ca 0.00 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3gtq h SER 559 Cb 0.66 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.64 3gtq h SER 559 CO -0.14 0.18 0.14 -0.62 -0.87 0.00 0.00 176.83 175.51 3gtq n GLU 560 N -4.48 1.51 0.00 4.77 1.02 -0.90 -3.95 120.64 118.61 3gtq n GLU 560 Ca 0.16 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 3gtq n GLU 560 Cb 0.60 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 3gtq n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3gtq n TRP 561 N 0.08 0.00 0.00 -0.32 7.02 0.13 -5.02 117.44 119.33 3gtq n TRP 561 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 3gtq n TRP 561 Cb 0.75 0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.69 3gtq n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gtq n GLY 562 N 0.00 2.73 0.00 6.99 0.00 -1.03 -5.03 105.19 108.86 3gtq n GLY 562 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3gtq n GLY 562 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gtq n MET 563 N 0.00 0.00 -1.76 1.61 0.00 -1.20 -4.83 117.12 110.94 3gtq n MET 563 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 3gtq n MET 563 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 3gtq n MET 563 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3gtq s GLU 564 N 0.00 4.13 0.84 2.12 2.02 -0.34 -4.48 118.70 122.98 3gtq s GLU 564 Ca 0.00 2.58 -0.12 0.00 0.02 0.00 0.00 54.97 57.45 3gtq s GLU 564 Cb 0.00 -3.06 0.09 0.00 0.10 0.00 0.00 34.13 31.26 3gtq s GLU 564 CO 0.00 -0.70 1.15 -1.25 0.02 0.00 0.00 175.26 174.48 3gtq s PRO 565 N 0.52 1.76 0.15 0.39 0.04 -1.26 -1.39 135.00 135.22 3gtq s PRO 565 Ca 0.70 0.28 -0.06 0.00 0.04 0.00 0.00 61.00 61.96 3gtq s PRO 565 Cb -0.49 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 3gtq s PRO 565 CO 0.38 -1.77 1.40 1.25 0.04 0.00 0.00 177.00 178.30 3gtq h LEU 566 N -1.19 0.67 0.20 -3.56 5.85 -1.63 -3.12 115.31 112.53 3gtq h LEU 566 Ca -0.48 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 57.83 3gtq h LEU 566 Cb 1.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3gtq h LEU 566 CO 0.63 1.18 -0.39 1.05 -0.34 0.00 0.00 178.44 180.58 3gtq h GLU 567 N 0.40 -0.65 -2.40 1.25 9.09 -1.88 -3.11 114.58 117.28 3gtq h GLU 567 Ca -0.03 0.04 -0.11 0.00 0.05 0.00 0.00 59.36 59.32 3gtq h GLU 567 Cb 1.30 0.15 -0.04 0.00 -1.65 0.00 0.00 28.75 28.51 3gtq h GLU 567 CO 0.13 -0.43 -0.02 -0.25 0.05 0.00 0.00 179.01 178.49 3gtq n ASP 568 N -5.46 3.06 -4.10 3.06 9.92 -1.18 -4.82 116.55 117.04 3gtq n ASP 568 Ca -0.08 -2.07 -0.29 0.00 -0.53 0.00 0.00 54.79 51.83 3gtq n ASP 568 Cb 0.37 -0.83 -0.17 0.00 -0.64 0.00 0.00 41.12 39.86 3gtq n ASP 568 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3gtq s TYR 569 N 1.80 2.06 -0.35 1.24 5.04 -1.18 -4.77 117.35 121.20 3gtq s TYR 569 Ca 0.38 -0.91 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 3gtq s TYR 569 Cb 0.18 -1.45 0.10 0.00 0.35 0.00 0.00 41.96 41.14 3gtq s TYR 569 CO 0.00 -0.44 0.07 0.14 -1.34 0.00 0.00 175.55 173.98 3gtq s VAL 570 N 0.76 2.11 0.40 3.14 -7.23 -1.26 -5.00 120.40 113.32 3gtq s VAL 570 Ca -0.11 -2.28 0.07 0.00 -1.81 0.00 0.00 61.98 57.85 3gtq s VAL 570 Cb -0.16 -2.56 0.25 0.00 0.56 0.00 0.00 36.38 34.47 3gtq s VAL 570 CO 0.02 -0.62 2.03 1.55 -0.31 0.00 0.00 175.10 177.77 3gtq h PRO 571 N 7.60 0.50 0.00 4.82 0.13 -1.85 -0.14 132.00 143.06 3gtq h PRO 571 Ca -0.05 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 3gtq h PRO 571 Cb 1.01 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3gtq h PRO 571 CO 0.52 0.37 -0.22 1.12 -0.23 0.00 0.00 178.00 179.57 3gtq h HIS 572 N 0.51 0.00 0.08 1.56 2.07 -1.91 -2.99 115.15 114.47 3gtq h HIS 572 Ca 0.13 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.34 3gtq h HIS 572 Cb 0.01 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.97 3gtq h HIS 572 CO 0.00 0.22 -1.69 0.37 -3.07 0.00 0.00 177.93 173.77 3gtq h GLN 573 N 0.00 0.16 -2.35 5.12 4.15 -1.51 -3.40 115.11 117.29 3gtq h GLN 573 Ca -0.00 -0.28 -0.60 0.00 0.77 0.00 0.00 58.65 58.55 3gtq h GLN 573 Cb 0.71 0.10 -0.41 0.00 0.21 0.00 0.00 27.48 28.09 3gtq h GLN 573 CO 0.03 0.93 -0.69 0.43 -1.93 0.00 0.00 178.83 177.60 3gtq n SER 574 N -3.32 2.83 0.09 -0.69 7.64 -0.30 -4.88 113.62 115.00 3gtq n SER 574 Ca -0.20 -3.23 -0.04 0.00 1.01 0.00 0.00 58.87 56.42 3gtq n SER 574 Cb 1.04 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 3gtq n SER 574 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3gtq h PRO 575 N 4.46 0.00 0.00 1.43 0.11 -1.75 -3.27 132.00 132.98 3gtq h PRO 575 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gtq h PRO 575 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gtq h PRO 575 CO 0.73 0.82 0.00 -0.25 -0.21 0.00 0.00 178.00 179.09 3gtq n ASP 576 N -3.41 0.42 -4.67 -2.05 8.00 -1.26 -4.82 116.55 108.75 3gtq n ASP 576 Ca 0.00 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 3gtq n ASP 576 Cb 0.83 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 3gtq n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtq s ALA 577 N -3.06 3.55 0.27 2.24 0.00 -1.24 -4.87 121.76 118.65 3gtq s ALA 577 Ca 0.12 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3gtq s ALA 577 Cb 0.15 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 3gtq s ALA 577 CO 0.54 -0.85 1.53 0.99 0.00 0.00 0.00 175.76 177.98 3gtq s THR 578 N 2.63 2.33 0.37 0.00 2.01 0.63 -4.73 115.64 118.88 3gtq s THR 578 Ca 0.48 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 3gtq s THR 578 Cb -0.18 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 3gtq s THR 578 CO 0.13 0.04 0.85 -0.13 -0.69 0.00 0.00 174.62 174.82 3gtq s ARG 579 N -0.43 4.14 -0.04 4.92 0.52 -1.16 0.06 118.95 126.96 3gtq s ARG 579 Ca 0.62 0.91 0.07 0.00 -0.52 0.00 0.00 55.73 56.81 3gtq s ARG 579 Cb -0.45 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 3gtq s ARG 579 CO 0.46 0.08 -0.24 0.08 0.02 0.00 0.00 175.30 175.69 3gtq s VAL 580 N -2.05 1.95 -0.06 3.52 1.01 -0.77 -0.97 120.40 123.03 3gtq s VAL 580 Ca 0.57 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3gtq s VAL 580 Cb -0.10 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3gtq s VAL 580 CO 0.16 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.32 3gtq s PHE 581 N -0.32 1.44 -0.23 5.22 0.40 -0.75 -3.43 117.98 120.31 3gtq s PHE 581 Ca 0.02 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3gtq s PHE 581 Cb -0.12 -1.04 0.06 0.00 0.51 0.00 0.00 43.02 42.44 3gtq s PHE 581 CO 0.02 -0.24 -0.03 0.08 0.70 0.00 0.00 175.22 175.75 3gtq s VAL 582 N 0.52 1.36 -1.18 -0.44 1.01 0.17 -0.92 120.40 120.92 3gtq s VAL 582 Ca -0.12 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 3gtq s VAL 582 Cb -0.14 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3gtq s VAL 582 CO 0.03 -0.16 0.76 0.59 0.00 0.00 0.00 175.10 176.32 3gtq n ASN 583 N 4.73 -4.23 -2.43 3.32 4.13 -0.99 -2.84 115.26 116.93 3gtq n ASN 583 Ca -0.11 -0.92 -0.18 0.00 1.68 0.00 0.00 54.58 55.05 3gtq n ASN 583 Cb 0.44 -3.80 0.02 0.00 -1.54 0.00 0.00 39.78 34.91 3gtq n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gtq n GLY 584 N -1.61 -0.33 3.02 7.41 0.00 -1.26 -4.98 105.19 107.45 3gtq n GLY 584 Ca -0.15 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3gtq n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtq s VAL 585 N -3.03 0.67 -0.47 1.61 1.01 -1.13 -4.89 120.40 114.17 3gtq s VAL 585 Ca 0.20 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 3gtq s VAL 585 Cb -0.09 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.80 3gtq s VAL 585 CO 0.25 0.10 0.36 0.86 0.00 0.00 0.00 175.10 176.67 3gtq s TRP 586 N -0.37 3.30 -0.77 5.22 -0.00 -1.26 -0.66 118.94 124.40 3gtq s TRP 586 Ca 0.02 -1.30 0.25 0.00 -0.00 0.00 0.00 56.10 55.07 3gtq s TRP 586 Cb -0.04 -3.25 0.42 0.00 -0.00 0.00 0.00 33.47 30.60 3gtq s TRP 586 CO -0.00 -0.88 1.36 0.72 -0.00 0.00 0.00 176.95 178.16 3gtq n HIS 587 N 5.08 0.35 0.00 5.86 8.25 -1.22 -4.88 115.22 128.66 3gtq n HIS 587 Ca -0.11 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3gtq n HIS 587 Cb 0.42 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3gtq n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtq n GLY 588 N 1.40 0.96 3.42 -1.41 0.00 -1.26 -1.57 105.19 106.72 3gtq n GLY 588 Ca 0.04 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 3gtq n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtq s VAL 589 N -2.64 2.25 0.02 1.61 1.01 -0.48 -1.84 120.40 120.32 3gtq s VAL 589 Ca 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 61.98 59.83 3gtq s VAL 589 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3gtq s VAL 589 CO 0.00 -0.30 -0.06 -2.28 0.00 0.00 0.00 175.10 172.47 3gtq s HIS 590 N -2.16 0.49 -0.10 5.22 5.04 0.11 -1.20 115.29 122.68 3gtq s HIS 590 Ca 0.23 -0.33 -0.01 0.00 -1.54 0.00 0.00 55.06 53.42 3gtq s HIS 590 Cb -0.06 -0.30 -0.03 0.00 0.04 0.00 0.00 32.58 32.23 3gtq s HIS 590 CO 0.11 -0.07 -0.07 -0.98 -2.34 0.00 0.00 174.74 171.39 3gtq s ARG 591 N -0.96 3.11 -0.84 2.88 1.70 -1.26 -0.27 118.95 123.31 3gtq s ARG 591 Ca -0.06 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.61 3gtq s ARG 591 Cb -0.07 -2.69 -0.03 0.00 -0.57 0.00 0.00 34.95 31.59 3gtq s ARG 591 CO -0.00 0.48 0.76 0.09 -1.08 0.00 0.00 175.30 175.54 3gtq n ASN 592 N 2.79 -6.84 0.00 -2.89 3.02 -1.26 -4.94 115.26 105.13 3gtq n ASN 592 Ca -0.18 -0.38 0.15 0.00 -0.03 0.00 0.00 54.58 54.14 3gtq n ASN 592 Cb 0.53 -4.95 0.77 0.00 -0.61 0.00 0.00 39.78 35.52 3gtq n ASN 592 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3gtq n PRO 593 N -2.44 0.53 0.02 3.52 -0.04 -1.26 -3.55 135.00 131.77 3gtq n PRO 593 Ca -0.03 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 3gtq n PRO 593 Cb 0.56 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.70 3gtq n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtq h ALA 594 N 3.49 1.06 0.00 0.55 0.00 -1.99 0.35 119.26 122.72 3gtq h ALA 594 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 3gtq h ALA 594 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3gtq h ALA 594 CO 0.00 0.58 -1.53 0.00 0.00 0.00 0.00 179.25 178.30 3gtq h ARG 595 N 0.41 0.00 -0.38 0.00 3.08 -1.97 -3.33 114.38 112.19 3gtq h ARG 595 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3gtq h ARG 595 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3gtq h ARG 595 CO 0.06 0.43 -0.17 1.25 -1.07 0.00 0.00 179.97 180.46 3gtq h LEU 596 N 0.00 0.82 0.71 3.04 5.85 -1.53 -2.94 115.31 121.26 3gtq h LEU 596 Ca -0.22 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 3gtq h LEU 596 Cb 1.82 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.63 3gtq h LEU 596 CO 0.07 1.03 -0.34 -0.03 -0.34 0.00 0.00 178.44 178.83 3gtq h MET 597 N 0.60 -0.92 -0.97 1.25 4.05 -1.11 0.14 114.93 117.97 3gtq h MET 597 Ca 0.09 0.06 0.31 0.00 -0.28 0.00 0.00 59.70 59.88 3gtq h MET 597 Cb 0.72 0.21 -0.17 0.00 -0.80 0.00 0.00 31.60 31.56 3gtq h MET 597 CO 0.05 -0.59 0.25 1.49 0.23 0.00 0.00 176.91 178.34 3gtq h GLU 598 N -1.04 0.06 -0.28 0.39 4.57 -1.66 1.50 114.58 118.11 3gtq h GLU 598 Ca -0.10 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3gtq h GLU 598 Cb 0.75 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3gtq h GLU 598 CO 0.16 0.04 -0.22 1.15 -1.18 0.00 0.00 179.01 178.96 3gtq h THR 599 N 0.06 1.30 0.42 0.32 2.02 -1.31 -2.57 112.91 113.16 3gtq h THR 599 Ca 0.68 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 3gtq h THR 599 Cb 1.55 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3gtq h THR 599 CO -0.81 0.44 -0.28 -0.07 0.37 0.00 0.00 175.52 175.16 3gtq h LEU 600 N 0.39 -0.72 -0.91 2.58 3.38 0.48 -2.43 115.31 118.08 3gtq h LEU 600 Ca 0.05 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3gtq h LEU 600 Cb 0.78 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 3gtq h LEU 600 CO 0.06 -0.42 -0.52 0.54 0.09 0.00 0.00 178.44 178.19 3gtq n ARG 601 N -4.09 -0.39 -0.06 1.13 3.00 0.42 -0.18 116.66 116.49 3gtq n ARG 601 Ca -0.08 1.37 0.24 0.00 -0.01 0.00 0.00 57.85 59.37 3gtq n ARG 601 Cb 0.28 -2.01 0.71 0.00 0.00 0.00 0.00 32.46 31.44 3gtq n ARG 601 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3gtq h THR 602 N 0.00 0.59 0.00 0.55 2.02 -1.41 0.28 112.91 114.93 3gtq h THR 602 Ca 0.16 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.20 3gtq h THR 602 Cb 0.38 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3gtq h THR 602 CO -0.85 0.00 -0.66 -0.07 0.37 0.00 0.00 175.52 174.30 3gtq h LEU 603 N 0.00 0.00 0.11 2.58 3.38 -0.06 -2.41 115.31 118.91 3gtq h LEU 603 Ca 0.32 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.04 3gtq h LEU 603 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3gtq h LEU 603 CO -0.00 0.66 -1.22 -0.09 0.09 0.00 0.00 178.44 177.88 3gtq h ARG 604 N 0.00 0.23 0.00 1.13 2.43 -0.31 1.33 114.38 119.20 3gtq h ARG 604 Ca -0.01 -0.40 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 3gtq h ARG 604 Cb 1.37 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3gtq h ARG 604 CO 0.09 1.19 -0.16 0.00 -1.51 0.00 0.00 179.97 179.57 3gtq h ARG 605 N -0.39 0.00 0.00 0.20 3.08 -0.66 -0.16 114.38 116.45 3gtq h ARG 605 Ca -0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.61 3gtq h ARG 605 Cb 1.68 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.70 3gtq h ARG 605 CO 0.06 0.16 -1.05 -0.22 -1.07 0.00 0.00 179.97 177.85 3gtq h LYS 606 N 0.00 0.00 0.00 0.04 3.64 -1.60 -2.97 116.57 115.68 3gtq h LYS 606 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gtq h LYS 606 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3gtq h LYS 606 CO 0.02 0.62 0.00 0.41 -2.27 0.00 0.00 179.45 178.23 3gtq n GLY 607 N 1.36 1.66 0.35 5.01 0.00 -0.07 -4.67 105.19 108.82 3gtq n GLY 607 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 3gtq n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtq h ASP 608 N 0.00 1.05 -3.29 1.61 3.32 -0.94 -3.40 116.42 114.77 3gtq h ASP 608 Ca 0.00 -0.12 -0.64 0.00 0.02 0.00 0.00 57.03 56.29 3gtq h ASP 608 Cb 0.00 -0.27 -0.18 0.00 0.22 0.00 0.00 39.33 39.10 3gtq h ASP 608 CO 0.00 0.88 -0.61 -0.63 -1.72 0.00 0.00 179.24 177.16 3gtq s ILE 609 N -5.65 4.36 -0.11 0.35 -1.09 0.43 -4.95 121.20 114.54 3gtq s ILE 609 Ca -0.12 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 3gtq s ILE 609 Cb 0.16 -2.92 -0.08 0.00 -1.58 0.00 0.00 42.46 38.04 3gtq s ILE 609 CO 0.82 0.50 2.07 -3.20 -1.23 0.00 0.00 174.94 173.91 3gtq n ASN 610 N 3.24 3.55 0.30 3.58 2.85 -1.26 -4.15 115.26 123.37 3gtq n ASN 610 Ca -0.17 0.62 0.01 0.00 -0.11 0.00 0.00 54.58 54.92 3gtq n ASN 610 Cb 0.53 -1.49 0.06 0.00 1.24 0.00 0.00 39.78 40.12 3gtq n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gtq h PRO 611 N 12.17 0.00 -0.10 1.20 0.11 -1.87 0.33 132.00 143.84 3gtq h PRO 611 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3gtq h PRO 611 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gtq h PRO 611 CO 0.96 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.55 3gtq h GLU 612 N 0.00 0.15 -6.82 1.05 5.08 -1.91 -3.40 114.58 108.73 3gtq h GLU 612 Ca 0.00 -0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.82 3gtq h GLU 612 Cb 1.81 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 31.07 3gtq h GLU 612 CO 0.00 0.29 0.53 0.08 -1.00 0.00 0.00 179.01 178.90 3gtq s VAL 613 N -4.74 3.26 -0.11 3.13 1.01 0.12 -4.90 120.40 118.16 3gtq s VAL 613 Ca -0.05 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.20 3gtq s VAL 613 Cb 0.16 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3gtq s VAL 613 CO 0.72 0.30 -0.13 -0.94 0.00 0.00 0.00 175.10 175.05 3gtq s SER 614 N -0.72 4.07 -0.31 3.32 1.04 0.57 -4.97 113.70 116.70 3gtq s SER 614 Ca 0.46 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3gtq s SER 614 Cb -0.34 -1.46 0.09 0.00 0.10 0.00 0.00 66.02 64.41 3gtq s SER 614 CO 0.44 0.21 0.04 -0.04 0.98 0.00 0.00 173.24 174.87 3gtq s MET 615 N 0.11 1.32 -0.64 4.02 -1.94 -1.26 -0.54 119.30 120.37 3gtq s MET 615 Ca -0.06 -1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 52.39 3gtq s MET 615 Cb -0.15 -2.78 0.16 0.00 2.01 0.00 0.00 34.83 34.08 3gtq s MET 615 CO 0.04 -0.89 0.44 0.42 -0.01 0.00 0.00 175.02 175.03 3gtq s ILE 616 N 1.17 3.51 -0.07 2.53 1.01 0.80 -4.99 121.20 125.15 3gtq s ILE 616 Ca 0.08 -3.22 -0.30 0.00 0.00 0.00 0.00 60.65 57.21 3gtq s ILE 616 Cb -0.19 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 3gtq s ILE 616 CO -0.12 -0.89 1.10 -0.60 0.00 0.00 0.00 174.94 174.43 3gtq s ARG 617 N -0.34 4.39 -0.89 2.79 3.52 -1.26 -1.63 118.95 125.54 3gtq s ARG 617 Ca 0.19 1.54 -0.03 0.00 -0.13 0.00 0.00 55.73 57.29 3gtq s ARG 617 Cb -0.19 -3.54 0.22 0.00 -1.56 0.00 0.00 34.95 29.88 3gtq s ARG 617 CO -0.04 -0.37 0.78 0.34 -0.81 0.00 0.00 175.30 175.20 3gtq s ASP 618 N 1.27 6.06 0.20 -2.12 -1.08 -0.25 -4.96 116.67 115.80 3gtq s ASP 618 Ca 0.52 -3.62 -0.21 0.00 -0.52 0.00 0.00 52.55 48.72 3gtq s ASP 618 Cb -0.22 -1.94 0.13 0.00 -1.46 0.00 0.00 42.92 39.44 3gtq s ASP 618 CO 0.20 -0.22 1.51 -0.38 0.52 0.00 0.00 175.17 176.81 3gtq n ILE 619 N 2.49 -0.56 -0.02 4.11 2.08 -1.26 -1.72 119.36 124.48 3gtq n ILE 619 Ca 0.20 2.31 -0.13 0.00 0.56 0.00 0.00 62.75 65.69 3gtq n ILE 619 Cb 0.37 -2.98 -0.01 0.00 -0.75 0.00 0.00 39.64 36.27 3gtq n ILE 619 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3gtq h ARG 620 N 0.00 0.70 0.00 0.38 3.08 -1.95 -2.84 114.38 113.75 3gtq h ARG 620 Ca 0.28 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3gtq h ARG 620 Cb 0.52 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3gtq h ARG 620 CO -0.95 1.12 0.00 -1.91 -1.07 0.00 0.00 179.97 177.16 3gtq n GLU 621 N -3.94 0.27 -3.71 0.04 4.07 -0.73 -4.92 120.64 111.71 3gtq n GLU 621 Ca -0.05 0.02 -0.30 0.00 -0.06 0.00 0.00 57.16 56.77 3gtq n GLU 621 Cb 0.67 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.58 3gtq n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtq n LYS 622 N -1.36 -1.10 -4.05 5.31 4.01 -0.70 -4.97 118.16 115.31 3gtq n LYS 622 Ca 0.11 0.53 -0.08 0.00 -0.51 0.00 0.00 58.31 58.37 3gtq n LYS 622 Cb 0.25 -3.69 -0.09 0.00 -0.51 0.00 0.00 35.03 30.99 3gtq n LYS 622 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3gtq s GLU 623 N -5.80 0.73 -0.36 1.97 2.02 -1.18 -2.99 118.70 113.10 3gtq s GLU 623 Ca 0.36 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3gtq s GLU 623 Cb -0.15 0.25 0.15 0.00 0.10 0.00 0.00 34.13 34.49 3gtq s GLU 623 CO 0.88 -0.18 0.37 -1.17 0.02 0.00 0.00 175.26 175.18 3gtq s LEU 624 N -2.93 -0.14 -0.45 1.80 2.96 -0.14 -1.09 118.68 118.70 3gtq s LEU 624 Ca 0.10 -1.40 -0.22 0.00 -0.22 0.00 0.00 54.13 52.38 3gtq s LEU 624 Cb 0.07 0.60 0.03 0.00 0.50 0.00 0.00 46.19 47.38 3gtq s LEU 624 CO -0.08 -0.28 0.75 -0.54 -1.32 0.00 0.00 176.35 174.88 3gtq s LYS 625 N 1.62 3.37 -0.34 1.98 1.02 -0.64 -1.81 119.74 124.93 3gtq s LYS 625 Ca 0.15 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 3gtq s LYS 625 Cb -0.15 -3.94 0.01 0.00 -0.52 0.00 0.00 37.83 33.23 3gtq s LYS 625 CO -0.09 -1.09 0.19 0.42 -0.92 0.00 0.00 175.35 173.86 3gtq s ILE 626 N 3.16 4.72 -0.12 2.17 1.01 -0.10 -0.14 121.20 131.91 3gtq s ILE 626 Ca 0.28 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3gtq s ILE 626 Cb -0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3gtq s ILE 626 CO 0.22 -0.08 -0.03 -0.36 0.00 0.00 0.00 174.94 174.69 3gtq s PHE 627 N 1.61 3.06 -0.37 3.97 0.40 0.30 -2.36 117.98 124.59 3gtq s PHE 627 Ca 0.04 -0.08 0.12 0.00 -0.60 0.00 0.00 56.93 56.41 3gtq s PHE 627 Cb -0.18 -1.87 0.34 0.00 0.51 0.00 0.00 43.02 41.82 3gtq s PHE 627 CO 0.07 0.19 0.72 -2.37 0.70 0.00 0.00 175.22 174.53 3gtq n THR 628 N 2.89 -0.15 -4.40 0.64 5.66 -1.26 -0.31 114.28 117.35 3gtq n THR 628 Ca -0.18 -4.57 -0.35 0.00 -3.05 0.00 0.00 64.05 55.90 3gtq n THR 628 Cb 0.53 -0.36 -0.10 0.00 -1.55 0.00 0.00 70.33 68.84 3gtq n THR 628 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3gtq s ASP 629 N -2.38 5.13 0.13 1.09 3.68 -1.26 -4.28 116.67 118.78 3gtq s ASP 629 Ca 0.40 0.10 -0.31 0.00 2.13 0.00 0.00 52.55 54.86 3gtq s ASP 629 Cb 0.34 -1.48 -0.10 0.00 -1.45 0.00 0.00 42.92 40.23 3gtq s ASP 629 CO -0.08 0.35 1.70 0.00 0.13 0.00 0.00 175.17 177.27 3gtq s ALA 630 N -0.71 3.77 0.00 3.66 0.00 -1.26 -3.43 121.76 123.79 3gtq s ALA 630 Ca 0.11 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3gtq s ALA 630 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3gtq s ALA 630 CO 0.02 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.15 3gtq n GLY 631 N 4.02 0.96 3.81 0.00 0.00 -0.39 -4.84 105.19 108.76 3gtq n GLY 631 Ca 0.16 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3gtq n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtq s ARG 632 N -0.48 3.11 0.20 1.61 0.52 -1.22 0.10 118.95 122.79 3gtq s ARG 632 Ca 0.00 1.07 0.06 0.00 -0.52 0.00 0.00 55.73 56.34 3gtq s ARG 632 Cb 0.00 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 3gtq s ARG 632 CO 0.00 -0.97 0.14 0.08 0.02 0.00 0.00 175.30 174.57 3gtq s VAL 633 N -2.78 4.34 -0.06 3.52 1.01 -1.26 -0.97 120.40 124.21 3gtq s VAL 633 Ca 0.60 -1.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 3gtq s VAL 633 Cb -0.15 -3.26 0.11 0.00 0.00 0.00 0.00 36.38 33.08 3gtq s VAL 633 CO 0.47 -0.20 1.08 -0.72 0.00 0.00 0.00 175.10 175.72 3gtq s TYR 634 N -1.91 -0.19 0.20 5.22 -0.85 -1.18 -3.79 117.35 114.85 3gtq s TYR 634 Ca 0.31 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.95 3gtq s TYR 634 Cb -0.09 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 3gtq s TYR 634 CO 0.23 -0.41 0.23 2.89 -1.52 0.00 0.00 175.55 176.98 3gtq n ARG 635 N -0.25 0.33 0.00 -3.49 1.85 -0.89 -1.62 116.66 112.59 3gtq n ARG 635 Ca -0.05 -1.84 0.00 0.00 -1.00 0.00 0.00 57.85 54.96 3gtq n ARG 635 Cb 0.60 1.63 0.00 0.00 -1.05 0.00 0.00 32.46 33.64 3gtq n ARG 635 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3gtq n PRO 636 N -0.36 0.00 -4.07 2.89 -0.02 -1.26 -2.52 135.00 129.66 3gtq n PRO 636 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 3gtq n PRO 636 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.73 3gtq n PRO 636 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtq s LEU 637 N 0.00 2.40 0.70 2.45 0.20 0.22 -3.58 118.68 121.07 3gtq s LEU 637 Ca 0.00 -0.81 -0.14 0.00 0.69 0.00 0.00 54.13 53.87 3gtq s LEU 637 Cb 0.00 0.08 0.02 0.00 -0.43 0.00 0.00 46.19 45.86 3gtq s LEU 637 CO 0.00 -0.45 1.13 -0.36 -0.29 0.00 0.00 176.35 176.38 3gtq s PHE 638 N -2.90 2.46 -0.04 5.38 2.99 -0.78 -1.52 117.98 123.58 3gtq s PHE 638 Ca -0.00 1.57 0.01 0.00 0.00 0.00 0.00 56.93 58.52 3gtq s PHE 638 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 43.02 39.78 3gtq s PHE 638 CO -0.05 -1.93 -0.06 0.42 -0.00 0.00 0.00 175.22 173.60 3gtq s ILE 639 N -2.38 3.76 -0.25 0.64 1.01 -0.57 -2.14 121.20 121.27 3gtq s ILE 639 Ca 0.67 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 3gtq s ILE 639 Cb -0.22 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.74 3gtq s ILE 639 CO 0.45 0.52 0.00 -0.69 0.00 0.00 0.00 174.94 175.22 3gtq s VAL 640 N -0.89 1.23 0.28 2.92 1.01 -0.92 0.17 120.40 124.19 3gtq s VAL 640 Ca 0.14 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 61.04 3gtq s VAL 640 Cb -0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3gtq s VAL 640 CO 0.04 -0.26 0.01 -0.70 0.00 0.00 0.00 175.10 174.19 3gtq s GLU 641 N 1.51 2.29 0.00 2.72 2.56 -0.44 -4.43 118.70 122.91 3gtq s GLU 641 Ca -0.01 -1.45 0.17 0.00 0.00 0.00 0.00 54.97 53.68 3gtq s GLU 641 Cb -0.18 -2.15 0.99 0.00 2.00 0.00 0.00 34.13 34.78 3gtq s GLU 641 CO -0.10 0.33 1.60 -0.40 -0.56 0.00 0.00 175.26 176.13 3gtq n ASP 642 N -0.92 0.00 -3.80 -1.70 5.68 -1.26 -1.81 116.55 112.74 3gtq n ASP 642 Ca -0.06 -1.40 -0.25 0.00 -0.50 0.00 0.00 54.79 52.58 3gtq n ASP 642 Cb 0.59 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.50 3gtq n ASP 642 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gtq n ASP 643 N -0.77 0.22 -3.76 -1.12 10.43 -1.26 -4.66 116.55 115.63 3gtq n ASP 643 Ca 0.12 -1.81 -0.20 0.00 2.57 0.00 0.00 54.79 55.48 3gtq n ASP 643 Cb 0.06 -0.47 -0.17 0.00 1.84 0.00 0.00 41.12 42.37 3gtq n ASP 643 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3gtq s GLU 644 N 5.78 0.28 0.30 -1.24 0.41 -1.26 -4.95 118.70 118.03 3gtq s GLU 644 Ca 0.45 0.17 0.10 0.00 -0.41 0.00 0.00 54.97 55.28 3gtq s GLU 644 Cb 0.07 -0.63 0.47 0.00 -1.78 0.00 0.00 34.13 32.27 3gtq s GLU 644 CO 0.20 -0.24 1.69 1.03 -0.49 0.00 0.00 175.26 177.45 3gtq h SER 645 N 7.89 0.06 -1.42 -0.19 0.87 -1.94 -3.22 113.55 115.60 3gtq h SER 645 Ca -0.27 -0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.60 3gtq h SER 645 Cb 1.13 -0.02 -0.35 0.00 -0.44 0.00 0.00 62.40 62.72 3gtq h SER 645 CO 0.32 0.56 0.13 0.18 -0.53 0.00 0.00 176.83 177.50 3gtq n LEU 646 N -3.93 6.23 0.00 2.23 4.32 -1.26 -5.06 117.00 119.53 3gtq n LEU 646 Ca -0.02 -4.83 0.00 0.00 -0.02 0.00 0.00 56.01 51.15 3gtq n LEU 646 Cb 0.53 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 3gtq n LEU 646 CO 0.41 1.91 0.00 0.61 -1.22 0.00 0.00 177.39 179.10 3gtq n GLY 647 N -0.63 1.96 1.44 -0.72 0.00 -1.22 -5.13 105.19 100.89 3gtq n GLY 647 Ca 0.49 -1.81 0.19 0.00 0.00 0.00 0.00 46.02 44.90 3gtq n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gtq n HIS 648 N 1.80 -3.67 -2.68 1.61 1.44 -1.26 -4.60 115.22 107.86 3gtq n HIS 648 Ca 0.00 1.87 -0.35 0.00 -2.01 0.00 0.00 57.72 57.24 3gtq n HIS 648 Cb 0.00 -3.33 -0.05 0.00 0.12 0.00 0.00 29.99 26.72 3gtq n HIS 648 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3gtq s LYS 649 N -2.74 4.19 0.08 -1.40 3.01 -1.26 -4.38 119.74 117.25 3gtq s LYS 649 Ca 0.00 1.32 -0.07 0.00 -1.01 0.00 0.00 55.97 56.20 3gtq s LYS 649 Cb 0.00 -2.38 -0.01 0.00 -1.01 0.00 0.00 37.83 34.43 3gtq s LYS 649 CO 0.00 -0.08 0.15 -2.00 0.51 0.00 0.00 175.35 173.93 3gtq s GLU 650 N -2.78 0.81 0.64 1.68 2.56 -0.75 -4.98 118.70 115.87 3gtq s GLU 650 Ca 0.60 -1.01 -0.17 0.00 0.00 0.00 0.00 54.97 54.38 3gtq s GLU 650 Cb -0.16 0.32 -0.01 0.00 2.00 0.00 0.00 34.13 36.28 3gtq s GLU 650 CO 0.20 -0.24 1.18 -0.51 -0.56 0.00 0.00 175.26 175.33 3gtq s LEU 651 N -2.88 3.53 0.03 2.70 2.01 -1.26 -1.33 118.68 121.48 3gtq s LEU 651 Ca 0.06 2.27 -0.07 0.00 0.01 0.00 0.00 54.13 56.39 3gtq s LEU 651 Cb 0.05 -4.58 -0.30 0.00 0.01 0.00 0.00 46.19 41.37 3gtq s LEU 651 CO -0.10 -1.72 0.96 0.11 1.01 0.00 0.00 176.35 176.61 3gtq h LYS 652 N 0.44 0.34 -6.94 1.70 1.57 -0.56 -3.44 116.57 109.68 3gtq h LYS 652 Ca -0.49 -0.59 -0.54 0.00 -1.87 0.00 0.00 60.65 57.17 3gtq h LYS 652 Cb 1.28 0.22 0.10 0.00 0.08 0.00 0.00 32.23 33.91 3gtq h LYS 652 CO 0.54 1.25 0.76 0.08 -0.57 0.00 0.00 179.45 181.51 3gtq s VAL 653 N -2.62 2.12 0.00 0.50 1.01 -1.26 -5.00 120.40 115.14 3gtq s VAL 653 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3gtq s VAL 653 Cb 0.06 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3gtq s VAL 653 CO 0.89 0.03 0.00 0.54 0.00 0.00 0.00 175.10 176.55 3gtq n ARG 654 N 0.44 2.55 0.09 2.72 5.12 -1.26 -4.35 116.66 121.97 3gtq n ARG 654 Ca 0.01 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.05 3gtq n ARG 654 Cb 0.40 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.73 3gtq n ARG 654 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3gtq h LYS 655 N 0.00 0.00 -0.35 5.56 3.64 -1.51 -3.20 116.57 120.71 3gtq h LYS 655 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3gtq h LYS 655 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3gtq h LYS 655 CO 0.00 0.00 -0.32 0.78 -2.27 0.00 0.00 179.45 177.64 3gtq h GLY 656 N 4.14 0.92 0.94 5.01 0.00 -1.50 -3.19 103.07 109.39 3gtq h GLY 656 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.38 3gtq h GLY 656 CO 0.00 0.83 0.15 0.45 0.00 0.00 0.00 176.54 177.98 3gtq h HIS 657 N 0.63 0.61 0.00 5.60 3.86 -1.77 -2.53 115.15 121.55 3gtq h HIS 657 Ca 0.06 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3gtq h HIS 657 Cb 0.90 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.19 3gtq h HIS 657 CO 0.07 0.55 0.00 1.51 0.86 0.00 0.00 177.93 180.92 3gtq n ILE 658 N -4.64 1.47 -0.09 2.45 0.13 -1.21 -1.55 119.36 115.92 3gtq n ILE 658 Ca -0.00 0.59 -0.15 0.00 -1.10 0.00 0.00 62.75 62.09 3gtq n ILE 658 Cb 0.15 -1.58 -0.07 0.00 -0.84 0.00 0.00 39.64 37.30 3gtq n ILE 658 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gtq h ALA 659 N 2.03 0.15 -0.58 1.51 0.00 -1.44 -3.00 119.26 117.93 3gtq h ALA 659 Ca 0.00 -0.90 0.17 0.00 0.00 0.00 0.00 54.91 54.18 3gtq h ALA 659 Cb 0.03 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gtq h ALA 659 CO 0.00 0.60 0.55 0.87 0.00 0.00 0.00 179.25 181.26 3gtq h LYS 660 N -1.00 0.00 -0.02 0.00 1.57 -1.42 0.59 116.57 116.29 3gtq h LYS 660 Ca -0.20 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3gtq h LYS 660 Cb 0.96 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.28 3gtq h LYS 660 CO -0.12 0.00 -0.35 1.25 -0.57 0.00 0.00 179.45 179.66 3gtq h LEU 661 N 0.00 0.35 -0.58 2.94 6.46 -1.38 -3.10 115.31 120.00 3gtq h LEU 661 Ca 0.27 -0.73 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 3gtq h LEU 661 Cb 1.37 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 3gtq h LEU 661 CO -0.00 1.03 0.00 0.23 -0.62 0.00 0.00 178.44 179.07 3gtq n MET 662 N -4.42 1.38 0.26 1.25 2.81 -0.62 -3.24 117.12 114.53 3gtq n MET 662 Ca -0.09 -0.57 0.15 0.00 -1.81 0.00 0.00 57.70 55.37 3gtq n MET 662 Cb 0.54 -1.33 0.56 0.00 -0.71 0.00 0.00 33.22 32.27 3gtq n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtq h ALA 663 N 3.80 1.00 0.00 3.04 0.00 -0.84 -3.26 119.26 123.00 3gtq h ALA 663 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gtq h ALA 663 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gtq h ALA 663 CO 0.00 0.07 -1.18 1.15 0.00 0.00 0.00 179.25 179.28 3gtq h THR 664 N 0.00 0.24 0.00 0.00 2.02 -1.70 -3.24 112.91 110.23 3gtq h THR 664 Ca -0.00 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3gtq h THR 664 Cb 0.64 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 3gtq h THR 664 CO 0.01 0.13 0.00 -0.62 0.37 0.00 0.00 175.52 175.41 3gtq n GLU 665 N -2.78 0.00 -0.24 6.66 1.02 -1.23 -3.69 120.64 120.37 3gtq n GLU 665 Ca -0.04 0.36 0.23 0.00 -0.02 0.00 0.00 57.16 57.68 3gtq n GLU 665 Cb 0.69 -1.16 0.42 0.00 -0.02 0.00 0.00 31.44 31.37 3gtq n GLU 665 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3gtq n TYR 666 N -1.58 0.84 -0.92 -0.32 9.36 -1.25 0.15 117.16 123.44 3gtq n TYR 666 Ca 0.00 0.90 -0.15 0.00 3.32 0.00 0.00 57.90 61.97 3gtq n TYR 666 Cb 0.00 -1.29 0.00 0.00 -0.63 0.00 0.00 39.34 37.42 3gtq n TYR 666 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3gtq n GLN 667 N -4.75 1.76 0.00 2.98 6.02 -1.22 -5.16 117.38 117.00 3gtq n GLN 667 Ca 0.28 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 3gtq n GLN 667 Cb 0.93 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.59 3gtq n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtq n ASP 668 N 0.78 0.00 0.07 1.08 8.00 0.12 -4.96 116.55 121.64 3gtq n ASP 668 Ca 0.28 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.90 3gtq n ASP 668 Cb 0.58 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.76 3gtq n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3gtq n GLU 678 N 0.00 0.41 -3.60 -1.24 0.00 -1.26 -5.03 120.64 109.92 3gtq n GLU 678 Ca 0.00 0.08 -0.40 0.00 0.00 0.00 0.00 57.16 56.84 3gtq n GLU 678 Cb 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 31.44 29.64 3gtq n GLU 678 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3gtq s TYR 679 N -3.25 3.50 0.00 -1.84 5.04 -1.26 -4.95 117.35 114.59 3gtq s TYR 679 Ca 0.03 -2.36 0.00 0.00 -2.44 0.00 0.00 57.07 52.30 3gtq s TYR 679 Cb 0.12 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3gtq s TYR 679 CO 0.76 -0.91 0.00 2.41 -1.34 0.00 0.00 175.55 176.47 3gtq n THR 680 N 3.95 0.00 0.07 4.34 -1.04 -1.26 -4.68 114.28 115.67 3gtq n THR 680 Ca 0.05 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.95 3gtq n THR 680 Cb 0.41 -0.67 -0.01 0.00 -1.82 0.00 0.00 70.33 68.24 3gtq n THR 680 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3gtq h TRP 681 N 0.30 0.49 0.04 -1.42 2.91 -1.98 -3.06 115.95 113.23 3gtq h TRP 681 Ca 0.00 -0.25 -0.00 0.00 1.13 0.00 0.00 58.89 59.77 3gtq h TRP 681 Cb 0.00 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3gtq h TRP 681 CO 0.00 1.05 -0.03 0.77 -1.03 0.00 0.00 178.44 179.20 3gtq h SER 682 N 0.20 -0.08 -1.01 2.65 0.02 -1.95 -2.30 113.55 111.08 3gtq h SER 682 Ca -0.06 0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.13 3gtq h SER 682 Cb 1.48 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.93 3gtq h SER 682 CO 0.14 -0.05 0.60 0.77 -1.14 0.00 0.00 176.83 177.15 3gtq h SER 683 N -0.08 0.72 -0.30 3.07 4.64 -1.93 0.29 113.55 119.96 3gtq h SER 683 Ca -0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3gtq h SER 683 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3gtq h SER 683 CO -0.00 0.17 0.20 -0.07 -0.87 0.00 0.00 176.83 176.26 3gtq h LEU 684 N 0.65 0.34 -0.71 5.97 3.38 -1.34 0.18 115.31 123.79 3gtq h LEU 684 Ca 0.62 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.57 3gtq h LEU 684 Cb 1.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3gtq h LEU 684 CO -0.44 0.25 -0.03 0.25 0.09 0.00 0.00 178.44 178.57 3gtq h LEU 685 N 0.40 0.00 0.12 1.67 5.85 -0.49 -0.25 115.31 122.61 3gtq h LEU 685 Ca 0.11 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.49 3gtq h LEU 685 Cb -0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3gtq h LEU 685 CO -0.02 0.03 -1.82 0.78 -0.34 0.00 0.00 178.44 177.07 3gtq h ASN 686 N 0.00 0.40 0.37 1.25 2.35 -0.31 -3.19 115.58 116.45 3gtq h ASN 686 Ca -0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 3gtq h ASN 686 Cb 0.78 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3gtq h ASN 686 CO 0.00 1.64 0.00 -0.62 -1.65 0.00 0.00 177.43 176.81 3gtq n GLU 687 N -3.44 0.56 -3.05 0.81 1.02 0.03 -4.32 120.64 112.26 3gtq n GLU 687 Ca -0.25 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 56.77 3gtq n GLU 687 Cb 1.05 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 31.04 3gtq n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtq n GLY 688 N 1.03 -0.47 0.00 0.62 0.00 -0.48 -4.94 105.19 100.96 3gtq n GLY 688 Ca 0.16 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.47 3gtq n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtq n LEU 689 N -3.24 0.45 -3.97 0.99 4.77 -0.23 -4.91 117.00 110.86 3gtq n LEU 689 Ca -0.15 -0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.39 3gtq n LEU 689 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 3gtq n LEU 689 CO 0.49 0.11 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.55 3gtq s VAL 690 N -3.09 0.60 0.12 4.08 1.01 -1.24 -1.52 120.40 120.37 3gtq s VAL 690 Ca -0.00 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3gtq s VAL 690 Cb 0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 3gtq s VAL 690 CO 0.80 0.20 -0.14 -1.83 0.00 0.00 0.00 175.10 174.13 3gtq s GLU 691 N 0.21 1.02 -0.41 2.72 -1.05 -0.57 -4.41 118.70 116.21 3gtq s GLU 691 Ca -0.03 -1.24 -0.22 0.00 -0.15 0.00 0.00 54.97 53.33 3gtq s GLU 691 Cb -0.07 -0.90 0.02 0.00 -0.44 0.00 0.00 34.13 32.74 3gtq s GLU 691 CO 0.00 0.17 0.75 0.71 0.95 0.00 0.00 175.26 177.84 3gtq s TYR 692 N -2.16 3.06 -0.21 4.83 4.12 -1.24 0.73 117.35 126.49 3gtq s TYR 692 Ca 0.09 0.29 -0.07 0.00 0.02 0.00 0.00 57.07 57.39 3gtq s TYR 692 Cb -0.05 -3.47 -0.04 0.00 -1.52 0.00 0.00 41.96 36.89 3gtq s TYR 692 CO 0.03 -0.84 0.06 0.42 0.02 0.00 0.00 175.55 175.24 3gtq s ILE 693 N 3.09 4.60 0.37 2.71 -1.09 -1.05 -4.87 121.20 124.97 3gtq s ILE 693 Ca 0.29 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 3gtq s ILE 693 Cb -0.13 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3gtq s ILE 693 CO 0.19 0.41 0.57 1.51 -1.23 0.00 0.00 174.94 176.40 3gtq s ASP 694 N 0.84 6.20 0.30 3.58 -4.77 -1.26 -2.10 116.67 119.46 3gtq s ASP 694 Ca 0.04 0.41 0.04 0.00 -3.30 0.00 0.00 52.55 49.74 3gtq s ASP 694 Cb -0.14 -1.92 0.68 0.00 -1.09 0.00 0.00 42.92 40.45 3gtq s ASP 694 CO 0.02 -0.38 1.81 0.00 0.70 0.00 0.00 175.17 177.32 3gtq h ALA 695 N 0.68 1.63 -0.46 2.11 0.00 -1.90 0.42 119.26 121.74 3gtq h ALA 695 Ca -0.49 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3gtq h ALA 695 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3gtq h ALA 695 CO 0.60 0.06 0.00 1.49 0.00 0.00 0.00 179.25 181.40 3gtq h GLU 696 N 0.85 0.76 0.00 0.00 4.57 -1.92 -2.30 114.58 116.54 3gtq h GLU 696 Ca 0.53 -0.20 -0.18 0.00 -1.18 0.00 0.00 59.36 58.34 3gtq h GLU 696 Cb 0.72 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 3gtq h GLU 696 CO -0.32 0.77 -0.85 1.49 -1.18 0.00 0.00 179.01 178.93 3gtq h GLU 697 N 0.71 0.01 -0.88 1.92 4.81 -0.92 -2.80 114.58 117.43 3gtq h GLU 697 Ca 0.14 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.58 3gtq h GLU 697 Cb 0.43 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.69 3gtq h GLU 697 CO 0.02 0.85 0.33 1.49 -0.73 0.00 0.00 179.01 180.97 3gtq h GLU 698 N 0.00 0.32 0.00 1.92 4.81 0.19 -1.86 114.58 119.97 3gtq h GLU 698 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gtq h GLU 698 Cb 1.49 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.80 3gtq h GLU 698 CO 0.11 0.21 0.64 0.93 -0.73 0.00 0.00 179.01 180.18 3gtq h GLU 699 N 0.33 0.00 -0.58 1.92 4.39 -1.17 -1.60 114.58 117.88 3gtq h GLU 699 Ca 0.55 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.91 3gtq h GLU 699 Cb 1.05 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.30 3gtq h GLU 699 CO -0.56 0.00 -1.04 -1.13 -1.16 0.00 0.00 179.01 175.12 3gtq n SER 700 N -2.27 2.53 -4.32 1.42 3.41 -0.70 -5.08 113.62 108.62 3gtq n SER 700 Ca -0.01 -2.56 -0.17 0.00 -0.26 0.00 0.00 58.87 55.87 3gtq n SER 700 Cb 0.66 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 3gtq n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gtq s ILE 701 N -4.02 1.09 -0.17 -1.33 -0.00 -0.60 -5.07 121.20 111.10 3gtq s ILE 701 Ca 0.34 -2.05 -0.01 0.00 -0.00 0.00 0.00 60.65 58.93 3gtq s ILE 701 Cb 0.35 -2.24 -0.01 0.00 -0.00 0.00 0.00 42.46 40.56 3gtq s ILE 701 CO -0.02 -0.41 -0.11 -0.22 -0.00 0.00 0.00 174.94 174.18 3gtq s LEU 702 N -3.28 2.72 0.10 0.37 2.96 -1.26 -4.98 118.68 115.30 3gtq s LEU 702 Ca 0.26 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 3gtq s LEU 702 Cb 0.05 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3gtq s LEU 702 CO 0.07 0.08 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.42 3gtq s ILE 703 N 0.83 3.14 -0.15 6.68 1.01 -1.25 -1.58 121.20 129.88 3gtq s ILE 703 Ca -0.03 -1.32 -0.00 0.00 0.00 0.00 0.00 60.65 59.30 3gtq s ILE 703 Cb -0.15 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3gtq s ILE 703 CO 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 174.94 174.96 3gtq s ALA 704 N -1.15 2.57 0.06 9.38 0.00 -1.20 -4.92 121.76 126.51 3gtq s ALA 704 Ca 0.19 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 3gtq s ALA 704 Cb -0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 23.12 21.61 3gtq s ALA 704 CO 0.11 0.01 1.40 0.52 0.00 0.00 0.00 175.76 177.80 3gtq h MET 705 N 7.21 -0.68 -5.79 0.00 2.86 -1.95 0.62 114.93 117.19 3gtq h MET 705 Ca -0.32 0.05 -0.67 0.00 -2.06 0.00 0.00 59.70 56.70 3gtq h MET 705 Cb 1.19 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 32.87 3gtq h MET 705 CO 0.57 -0.45 -0.59 -0.65 1.06 0.00 0.00 176.91 176.84 3gtq s GLN 706 N -5.03 3.22 0.00 1.72 -0.21 -1.26 -4.38 119.66 113.72 3gtq s GLN 706 Ca -0.13 -0.36 0.21 0.00 0.02 0.00 0.00 55.36 55.11 3gtq s GLN 706 Cb 0.03 -2.92 0.78 0.00 1.00 0.00 0.00 33.01 31.90 3gtq s GLN 706 CO 0.43 0.63 1.56 -0.35 -2.12 0.00 0.00 175.29 175.45 3gtq n PRO 707 N 2.37 1.72 0.00 2.91 -0.04 -1.26 -3.97 135.00 136.73 3gtq n PRO 707 Ca -0.19 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 3gtq n PRO 707 Cb 0.54 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3gtq n PRO 707 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3gtq n GLU 708 N 0.30 0.00 0.00 0.54 0.28 -1.26 -4.59 120.64 115.91 3gtq n GLU 708 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3gtq n GLU 708 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 3gtq n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3gtq n ASP 709 N 0.00 0.40 -0.06 -1.84 8.00 -1.26 -2.07 116.55 119.72 3gtq n ASP 709 Ca 0.00 -0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.10 3gtq n ASP 709 Cb 0.00 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 3gtq n ASP 709 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3gtq n LEU 710 N 0.81 2.76 -2.43 0.64 0.00 -1.26 -4.81 117.00 112.71 3gtq n LEU 710 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 56.01 55.81 3gtq n LEU 710 Cb 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 43.42 43.14 3gtq n LEU 710 CO 0.00 0.67 0.09 -1.84 0.00 0.00 0.00 177.39 176.31 3gtq n GLU 711 N -2.82 2.69 -1.51 1.96 0.28 -0.88 -4.76 120.64 115.60 3gtq n GLU 711 Ca -0.21 -3.88 -0.05 0.00 -0.16 0.00 0.00 57.16 52.86 3gtq n GLU 711 Cb 0.74 -1.94 0.02 0.00 1.43 0.00 0.00 31.44 31.68 3gtq n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3gtq n PRO 712 N -0.60 0.92 -2.27 3.44 -0.04 -1.24 -4.97 135.00 130.24 3gtq n PRO 712 Ca 0.27 -0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 62.55 3gtq n PRO 712 Cb 0.87 -0.05 -0.03 0.00 -0.04 0.00 0.00 33.50 34.24 3gtq n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtq s ALA 713 N -2.17 3.47 -0.37 0.55 0.00 -1.26 -5.03 121.76 116.95 3gtq s ALA 713 Ca 0.15 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.96 3gtq s ALA 713 Cb -0.01 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3gtq s ALA 713 CO 0.09 -0.45 0.79 -1.21 0.00 0.00 0.00 175.76 174.99 3gtq s GLU 714 N -1.17 3.73 0.28 0.00 2.02 -1.26 -5.15 118.70 117.14 3gtq s GLU 714 Ca 0.50 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.78 3gtq s GLU 714 Cb -0.36 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.05 3gtq s GLU 714 CO 0.45 -0.88 0.00 0.00 0.02 0.00 0.00 175.26 174.85 3gtq n ALA 715 N 6.46 2.04 0.00 5.21 0.00 -1.26 -5.30 120.51 127.67 3gtq n ALA 715 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3gtq n ALA 715 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3gtq n ALA 715 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gtq n ASP 722 N -3.26 0.00 -3.10 0.00 3.85 -1.26 -5.34 116.55 107.44 3gtq n ASP 722 Ca 0.00 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.69 3gtq n ASP 722 Cb 0.00 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3gtq n ASP 722 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3gtq n VAL 723 N 0.00 4.22 0.00 2.12 0.31 -1.26 -5.00 118.33 118.72 3gtq n VAL 723 Ca 0.00 -4.91 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 3gtq n VAL 723 Cb 0.00 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3gtq n VAL 723 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gtq n ASP 724 N -0.38 0.00 0.23 4.52 2.03 -1.26 -4.57 116.55 117.11 3gtq n ASP 724 Ca 0.50 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.89 3gtq n ASP 724 Cb 0.28 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.10 3gtq n ASP 724 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gtq h PRO 725 N 0.00 0.00 0.00 -0.67 0.11 -2.02 -1.29 132.00 128.13 3gtq h PRO 725 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3gtq h PRO 725 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3gtq h PRO 725 CO 0.00 0.00 -1.02 0.00 -0.21 0.00 0.00 178.00 176.77 3gtq h ALA 726 N 1.00 0.62 -2.47 -0.75 0.00 -2.03 -3.45 119.26 112.18 3gtq h ALA 726 Ca 0.00 -0.77 -0.53 0.00 0.00 0.00 0.00 54.91 53.61 3gtq h ALA 726 Cb 0.83 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.73 3gtq h ALA 726 CO 0.00 0.93 0.88 0.15 0.00 0.00 0.00 179.25 181.21 3gtq s LYS 727 N -2.87 4.25 1.00 0.00 -0.14 -0.49 -4.94 119.74 116.55 3gtq s LYS 727 Ca 0.00 2.18 -0.16 0.00 -1.36 0.00 0.00 55.97 56.63 3gtq s LYS 727 Cb 0.08 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.74 3gtq s LYS 727 CO 0.79 -0.61 -0.21 2.89 -0.76 0.00 0.00 175.35 177.44 3gtq n ARG 728 N 4.99 -0.39 -3.50 1.68 1.85 -1.26 -4.92 116.66 115.10 3gtq n ARG 728 Ca 0.14 -0.09 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 3gtq n ARG 728 Cb 0.41 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.25 3gtq n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3gtq s ILE 729 N -2.21 4.53 0.02 8.89 -1.09 -1.26 -5.06 121.20 125.02 3gtq s ILE 729 Ca 0.50 -1.52 -0.18 0.00 -2.23 0.00 0.00 60.65 57.21 3gtq s ILE 729 Cb -0.15 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 3gtq s ILE 729 CO 0.72 -0.68 0.52 -0.13 -1.23 0.00 0.00 174.94 174.14 3gtq s ARG 730 N 1.46 4.16 0.00 2.79 0.52 -1.26 -5.06 118.95 121.56 3gtq s ARG 730 Ca 0.04 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 3gtq s ARG 730 Cb -0.26 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 31.94 3gtq s ARG 730 CO 0.02 0.56 0.23 1.33 0.02 0.00 0.00 175.30 177.45 3gtq n VAL 731 N 2.11 0.00 -3.62 3.52 0.24 -1.26 -5.01 118.33 114.31 3gtq n VAL 731 Ca -0.10 0.73 0.01 0.00 -2.04 0.00 0.00 64.34 62.93 3gtq n VAL 731 Cb 0.51 -1.41 -0.01 0.00 -1.47 0.00 0.00 33.84 31.46 3gtq n VAL 731 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gtq s SER 732 N -2.63 -0.07 0.51 -1.34 0.15 -1.26 -5.02 113.70 104.05 3gtq s SER 732 Ca 0.00 -0.14 0.18 0.00 0.70 0.00 0.00 55.95 56.69 3gtq s SER 732 Cb 0.00 0.18 1.29 0.00 -1.71 0.00 0.00 66.02 65.77 3gtq s SER 732 CO 0.00 -0.32 2.13 0.45 1.20 0.00 0.00 173.24 176.70 3gtq h HIS 733 N 2.00 0.00 0.00 3.44 -0.00 -1.90 -3.47 115.15 115.22 3gtq h HIS 733 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3gtq h HIS 733 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3gtq h HIS 733 CO 0.32 0.04 0.00 0.72 -0.00 0.00 0.00 177.93 179.01 3gtq n HIS 734 N -4.39 0.00 0.00 2.45 8.25 -1.26 -4.75 115.22 115.53 3gtq n HIS 734 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3gtq n HIS 734 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3gtq n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtq n ALA 735 N 0.00 0.00 -0.20 -1.41 0.00 -1.26 -5.09 120.51 112.54 3gtq n ALA 735 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtq n ALA 735 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtq n ALA 735 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3gtq n THR 736 N -0.13 0.00 -0.09 0.00 5.66 -1.26 -4.85 114.28 113.61 3gtq n THR 736 Ca 0.00 -0.34 -0.09 0.00 -3.05 0.00 0.00 64.05 60.57 3gtq n THR 736 Cb 0.00 1.20 -0.13 0.00 -1.55 0.00 0.00 70.33 69.86 3gtq n THR 736 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3gtq n THR 737 N -0.26 1.15 -0.02 1.09 -1.04 -1.26 -4.97 114.28 108.98 3gtq n THR 737 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 3gtq n THR 737 Cb 0.05 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 3gtq n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3gtq n PHE 738 N -2.69 0.00 0.06 -1.42 3.01 -1.26 -4.91 117.46 110.25 3gtq n PHE 738 Ca -0.29 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.96 3gtq n PHE 738 Cb 1.02 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 40.34 3gtq n PHE 738 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3gtq h THR 739 N 2.09 1.32 -2.37 4.37 1.35 -1.51 -3.44 112.91 114.72 3gtq h THR 739 Ca 0.00 -2.54 -0.08 0.00 -0.55 0.00 0.00 66.41 63.24 3gtq h THR 739 Cb 0.00 3.03 -0.20 0.00 -1.73 0.00 0.00 68.15 69.25 3gtq h THR 739 CO 0.00 0.74 0.02 -1.38 -0.25 0.00 0.00 175.52 174.65 3gtq s HIS 740 N -2.48 -0.51 0.33 4.73 0.00 -1.07 -2.16 115.29 114.12 3gtq s HIS 740 Ca -0.14 0.92 0.03 0.00 -3.00 0.00 0.00 55.06 52.86 3gtq s HIS 740 Cb 0.03 0.29 -0.02 0.00 -4.00 0.00 0.00 32.58 28.87 3gtq s HIS 740 CO 0.84 -0.50 0.49 0.00 -1.00 0.00 0.00 174.74 174.57 3gtq s GLU 742 N -4.22 4.28 0.00 0.00 2.56 0.22 -1.86 118.70 119.68 3gtq s GLU 742 Ca 0.40 0.86 -0.24 0.00 0.00 0.00 0.00 54.97 55.99 3gtq s GLU 742 Cb -0.09 -3.07 -0.14 0.00 2.00 0.00 0.00 34.13 32.82 3gtq s GLU 742 CO 0.33 0.51 1.03 0.82 -0.56 0.00 0.00 175.26 177.39 3gtq h ILE 743 N 3.10 0.16 -1.75 -3.70 1.08 -1.86 -3.41 117.51 111.13 3gtq h ILE 743 Ca -0.48 -0.44 0.05 0.00 -0.39 0.00 0.00 64.86 63.60 3gtq h ILE 743 Cb 1.20 0.23 -0.24 0.00 -3.07 0.00 0.00 36.82 34.94 3gtq h ILE 743 CO 0.65 0.03 0.27 -2.28 -0.69 0.00 0.00 178.15 176.13 3gtq s HIS 744 N -4.37 -0.71 -0.01 1.37 2.46 -1.26 -4.82 115.29 107.95 3gtq s HIS 744 Ca -0.13 1.54 0.22 0.00 0.47 0.00 0.00 55.06 57.16 3gtq s HIS 744 Cb 0.01 0.41 0.65 0.00 -0.13 0.00 0.00 32.58 33.52 3gtq s HIS 744 CO 0.41 -0.35 1.71 -1.35 -2.47 0.00 0.00 174.74 172.70 3gtq h PRO 745 N 5.54 0.00 -0.88 2.88 0.11 -1.90 -2.23 132.00 135.52 3gtq h PRO 745 Ca -0.29 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.08 3gtq h PRO 745 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3gtq h PRO 745 CO 0.13 0.26 0.78 0.66 -0.21 0.00 0.00 178.00 179.63 3gtq h SER 746 N 0.00 0.00 0.00 -2.05 4.64 -1.97 0.14 113.55 114.31 3gtq h SER 746 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtq h SER 746 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3gtq h SER 746 CO 0.03 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.22 3gtq n MET 747 N -3.83 0.68 0.01 4.77 2.81 -0.84 -1.51 117.12 119.21 3gtq n MET 747 Ca 0.19 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.21 3gtq n MET 747 Cb 1.08 -1.04 0.45 0.00 -0.71 0.00 0.00 33.22 33.01 3gtq n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3gtq n ILE 748 N -0.43 0.05 -2.91 2.02 -6.64 0.48 -3.81 119.36 108.12 3gtq n ILE 748 Ca 0.00 -0.03 -0.26 0.00 -1.77 0.00 0.00 62.75 60.69 3gtq n ILE 748 Cb 0.02 -0.22 -0.00 0.00 -1.44 0.00 0.00 39.64 37.99 3gtq n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 3gtq s LEU 749 N -3.15 3.75 0.00 7.28 1.43 -0.57 -4.28 118.68 123.15 3gtq s LEU 749 Ca 0.12 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 3gtq s LEU 749 Cb 0.18 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3gtq s LEU 749 CO 0.60 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3gtq n GLY 750 N -2.09 0.35 0.01 -3.19 0.00 -1.26 -0.21 105.19 98.79 3gtq n GLY 750 Ca -0.01 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.62 3gtq n GLY 750 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtq n VAL 751 N -0.01 0.00 -0.06 1.61 0.31 -1.26 -4.03 118.33 114.89 3gtq n VAL 751 Ca 0.00 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 3gtq n VAL 751 Cb 0.00 0.36 -0.14 0.00 -0.91 0.00 0.00 33.84 33.15 3gtq n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtq n ALA 752 N -1.95 1.36 0.18 3.52 0.00 -1.26 -4.46 120.51 117.89 3gtq n ALA 752 Ca -0.01 -0.95 0.12 0.00 0.00 0.00 0.00 53.44 52.59 3gtq n ALA 752 Cb 0.45 -0.49 0.09 0.00 0.00 0.00 0.00 19.45 19.50 3gtq n ALA 752 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtq h ALA 753 N 0.63 0.73 -0.00 0.00 0.00 -1.89 -2.97 119.26 115.76 3gtq h ALA 753 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gtq h ALA 753 Cb 2.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3gtq h ALA 753 CO 0.04 0.00 -0.08 -1.13 0.00 0.00 0.00 179.25 178.08 3gtq n SER 754 N -2.84 0.44 0.03 0.00 3.41 -1.26 -2.77 113.62 110.64 3gtq n SER 754 Ca 0.02 -0.63 0.13 0.00 -0.26 0.00 0.00 58.87 58.13 3gtq n SER 754 Cb 0.54 -0.08 0.50 0.00 -0.26 0.00 0.00 64.21 64.90 3gtq n SER 754 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtq n ILE 755 N -0.92 0.18 -2.57 -1.33 0.13 -1.12 -4.29 119.36 109.43 3gtq n ILE 755 Ca 0.16 -0.09 -0.42 0.00 -1.10 0.00 0.00 62.75 61.29 3gtq n ILE 755 Cb 0.26 -0.42 -0.03 0.00 -0.84 0.00 0.00 39.64 38.61 3gtq n ILE 755 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3gtq s ILE 756 N -3.04 4.50 -0.06 9.51 1.01 -1.12 -4.89 121.20 127.12 3gtq s ILE 756 Ca 0.12 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.29 3gtq s ILE 756 Cb 0.17 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3gtq s ILE 756 CO 0.58 0.08 0.90 -2.16 0.00 0.00 0.00 174.94 174.34 3gtq s PRO 757 N 1.47 4.47 -1.22 2.79 0.04 -1.26 -4.14 135.00 137.14 3gtq s PRO 757 Ca 0.54 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 3gtq s PRO 757 Cb -0.24 -3.49 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 3gtq s PRO 757 CO 0.25 -0.11 0.93 1.19 0.04 0.00 0.00 177.00 179.30 3gtq n PHE 758 N 4.27 -2.13 0.28 0.56 3.01 -0.46 -4.77 117.46 118.22 3gtq n PHE 758 Ca 0.05 0.91 0.12 0.00 1.01 0.00 0.00 57.45 59.54 3gtq n PHE 758 Cb 0.50 -4.91 0.78 0.00 -0.01 0.00 0.00 39.48 35.84 3gtq n PHE 758 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gtq h PRO 759 N -1.88 0.00 0.00 -1.08 0.13 -1.84 -0.45 132.00 126.87 3gtq h PRO 759 Ca -0.60 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 3gtq h PRO 759 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 3gtq h PRO 759 CO 0.51 0.04 -0.09 0.38 -0.23 0.00 0.00 178.00 178.62 3gtq h ASP 760 N 0.00 0.00 -0.27 1.44 2.03 -1.90 -1.21 116.42 116.50 3gtq h ASP 760 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gtq h ASP 760 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 3gtq h ASP 760 CO 0.01 0.09 0.00 1.41 -1.03 0.00 0.00 179.24 179.71 3gtq n HIS 761 N -3.43 0.36 -4.15 4.15 8.25 -0.18 -4.98 115.22 115.24 3gtq n HIS 761 Ca -0.01 -0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 3gtq n HIS 761 Cb 0.24 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 3gtq n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3gtq s ASN 762 N -1.36 5.11 0.04 0.41 0.02 -0.46 -3.73 114.94 114.98 3gtq s ASN 762 Ca 0.31 -0.27 -0.31 0.00 -1.02 0.00 0.00 52.86 51.57 3gtq s ASN 762 Cb 0.17 -1.21 -0.06 0.00 0.02 0.00 0.00 41.25 40.17 3gtq s ASN 762 CO 0.24 0.08 1.36 -1.58 0.02 0.00 0.00 177.10 177.22 3gtq s GLN 763 N -2.99 4.32 0.13 -0.60 0.74 -1.26 -4.94 119.66 115.05 3gtq s GLN 763 Ca 0.29 1.95 -0.27 0.00 0.05 0.00 0.00 55.36 57.38 3gtq s GLN 763 Cb -0.10 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3gtq s GLN 763 CO 0.21 -0.48 1.61 1.03 -0.55 0.00 0.00 175.29 177.11 3gtq h SER 764 N 7.35 -0.99 -0.04 6.67 0.87 -1.97 -0.87 113.55 124.58 3gtq h SER 764 Ca -0.40 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3gtq h SER 764 Cb 1.19 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 63.55 3gtq h SER 764 CO 0.88 -0.39 0.04 1.55 -0.53 0.00 0.00 176.83 178.37 3gtq h PRO 765 N -0.47 0.00 0.45 2.24 0.13 -1.98 -1.31 132.00 131.06 3gtq h PRO 765 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3gtq h PRO 765 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3gtq h PRO 765 CO -0.28 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.07 3gtq h ARG 766 N 0.00 -0.85 -0.86 0.86 2.47 -1.49 0.17 114.38 114.68 3gtq h ARG 766 Ca 0.02 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.92 3gtq h ARG 766 Cb 0.09 0.19 -0.13 0.00 -1.65 0.00 0.00 29.97 28.47 3gtq h ARG 766 CO -0.00 -0.57 -0.36 0.09 0.56 0.00 0.00 179.97 179.69 3gtq n ASN 767 N -5.52 -0.61 -0.25 7.04 3.02 -0.54 0.62 115.26 119.03 3gtq n ASN 767 Ca -0.11 1.51 0.03 0.00 -0.03 0.00 0.00 54.58 55.98 3gtq n ASN 767 Cb 0.41 -0.32 0.16 0.00 -0.61 0.00 0.00 39.78 39.42 3gtq n ASN 767 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gtq h THR 768 N 0.00 0.76 0.04 3.41 2.02 -0.83 0.02 112.91 118.32 3gtq h THR 768 Ca 0.28 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3gtq h THR 768 Cb 0.49 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3gtq h THR 768 CO -0.85 0.09 -0.04 1.88 0.37 0.00 0.00 175.52 176.98 3gtq h TYR 769 N 0.52 -0.09 -0.69 3.16 -1.99 0.31 0.19 116.97 118.38 3gtq h TYR 769 Ca 0.38 0.00 0.15 0.00 2.00 0.00 0.00 58.73 61.26 3gtq h TYR 769 Cb 0.49 0.04 -0.12 0.00 2.00 0.00 0.00 36.73 39.13 3gtq h TYR 769 CO -0.14 -0.06 0.01 0.37 -0.00 0.00 0.00 178.16 178.34 3gtq h GLN 770 N -0.08 0.11 0.00 4.88 5.75 -0.51 0.11 115.11 125.37 3gtq h GLN 770 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3gtq h GLN 770 Cb 0.08 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.60 3gtq h GLN 770 CO -0.01 0.07 0.00 1.03 -2.65 0.00 0.00 178.83 177.27 3gtq h SER 771 N 0.12 0.00 -0.02 -0.69 0.87 0.13 0.90 113.55 114.86 3gtq h SER 771 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3gtq h SER 771 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3gtq h SER 771 CO -0.59 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 175.64 3gtq n ALA 772 N -1.87 2.61 0.39 6.23 0.00 -0.04 -4.43 120.51 123.39 3gtq n ALA 772 Ca -0.02 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.90 3gtq n ALA 772 Cb 0.06 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 3gtq n ALA 772 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3gtq n MET 773 N 0.60 1.56 0.07 0.00 0.00 0.29 -4.20 117.12 115.44 3gtq n MET 773 Ca 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 57.70 57.66 3gtq n MET 773 Cb 0.35 -1.24 0.08 0.00 0.00 0.00 0.00 33.22 32.41 3gtq n MET 773 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3gtq h GLY 774 N 3.05 0.32 -0.68 -5.12 0.00 -1.19 -2.42 103.07 97.03 3gtq h GLY 774 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3gtq h GLY 774 CO 0.00 0.38 0.00 0.58 0.00 0.00 0.00 176.54 177.50 3gtq n LYS 775 N -3.84 1.19 0.00 4.80 2.85 -1.26 -3.11 118.16 118.79 3gtq n LYS 775 Ca -0.03 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 3gtq n LYS 775 Cb 0.66 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 3gtq n LYS 775 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3gtq n GLN 776 N -0.15 -0.27 -2.93 -1.58 6.02 -1.05 -4.85 117.38 112.56 3gtq n GLN 776 Ca 0.02 -0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 3gtq n GLN 776 Cb 0.18 -0.64 -0.05 0.00 1.02 0.00 0.00 30.24 30.75 3gtq n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtq s ALA 777 N -0.00 3.23 0.39 -1.58 0.00 -0.94 -0.91 121.76 121.94 3gtq s ALA 777 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 3gtq s ALA 777 Cb 0.00 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 3gtq s ALA 777 CO 0.00 -2.29 0.88 -1.33 0.00 0.00 0.00 175.76 173.02 3gtq n MET 778 N 7.09 1.11 -3.22 0.00 2.81 0.13 -4.73 117.12 120.31 3gtq n MET 778 Ca -0.01 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 3gtq n MET 778 Cb 0.47 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3gtq n MET 778 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gtq n GLY 779 N 1.36 -0.91 3.55 3.03 0.00 -1.26 -3.38 105.19 107.59 3gtq n GLY 779 Ca 0.10 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 3gtq n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtq s VAL 780 N -3.00 3.36 -0.11 1.61 1.01 -1.17 -4.13 120.40 117.98 3gtq s VAL 780 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3gtq s VAL 780 Cb 0.00 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 3gtq s VAL 780 CO 0.00 -0.90 0.42 2.22 0.00 0.00 0.00 175.10 176.84 3gtq n PHE 781 N 13.09 0.98 -3.81 5.22 1.16 -1.26 -4.24 117.46 128.60 3gtq n PHE 781 Ca 0.25 0.27 -0.12 0.00 -1.87 0.00 0.00 57.45 55.97 3gtq n PHE 781 Cb 0.51 -1.15 -0.10 0.00 -1.61 0.00 0.00 39.48 37.13 3gtq n PHE 781 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtq s LEU 782 N -6.52 1.19 0.33 5.98 1.43 -1.26 -4.12 118.68 115.72 3gtq s LEU 782 Ca -0.15 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3gtq s LEU 782 Cb 0.07 0.94 0.59 0.00 0.03 0.00 0.00 46.19 47.82 3gtq s LEU 782 CO 0.78 -0.35 1.82 0.74 0.23 0.00 0.00 176.35 179.57 3gtq h THR 783 N 4.19 1.23 0.00 5.49 2.02 -1.95 -2.80 112.91 121.08 3gtq h THR 783 Ca -0.29 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3gtq h THR 783 Cb 1.19 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3gtq h THR 783 CO 0.39 0.33 0.00 -0.46 0.37 0.00 0.00 175.52 176.15 3gtq n ASN 784 N -4.19 0.51 0.29 4.18 0.23 -1.26 -4.35 115.26 110.66 3gtq n ASN 784 Ca -0.00 -1.84 0.17 0.00 -0.53 0.00 0.00 54.58 52.38 3gtq n ASN 784 Cb 0.33 -0.26 0.90 0.00 -2.08 0.00 0.00 39.78 38.68 3gtq n ASN 784 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3gtq h TYR 785 N 0.04 0.00 -0.01 -2.53 -0.00 -1.87 0.14 116.97 112.75 3gtq h TYR 785 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 3gtq h TYR 785 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.98 3gtq h TYR 785 CO 0.00 0.00 -0.27 -0.97 -0.00 0.00 0.00 178.16 176.92 3gtq h ASN 786 N 0.00 0.02 0.00 0.10 -1.24 -1.88 -3.32 115.58 109.26 3gtq h ASN 786 Ca 0.00 -0.01 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 3gtq h ASN 786 Cb 0.26 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 3gtq h ASN 786 CO 0.00 0.30 -1.78 0.52 -1.29 0.00 0.00 177.43 175.18 3gtq n VAL 787 N -4.20 0.43 -2.41 2.57 0.31 0.48 -4.97 118.33 110.54 3gtq n VAL 787 Ca -0.02 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 3gtq n VAL 787 Cb 0.33 -0.21 -0.02 0.00 -0.91 0.00 0.00 33.84 33.03 3gtq n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtq s ARG 788 N -2.69 3.71 -0.52 5.55 0.52 -1.03 -5.01 118.95 119.48 3gtq s ARG 788 Ca -0.06 1.53 -0.04 0.00 -0.52 0.00 0.00 55.73 56.64 3gtq s ARG 788 Cb 0.07 -2.19 0.14 0.00 0.52 0.00 0.00 34.95 33.49 3gtq s ARG 788 CO 0.58 -0.54 0.34 -1.64 0.02 0.00 0.00 175.30 174.06 3gtq s MET 789 N -3.05 2.35 -0.13 3.54 -1.94 -1.26 -4.96 119.30 113.85 3gtq s MET 789 Ca 0.67 -2.14 0.02 0.00 -1.71 0.00 0.00 55.69 52.53 3gtq s MET 789 Cb -0.22 -3.71 0.00 0.00 2.01 0.00 0.00 34.83 32.91 3gtq s MET 789 CO 0.26 -1.14 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.41 3gtq s ASP 790 N 1.45 3.25 -0.25 3.03 1.01 -1.26 -4.98 116.67 118.90 3gtq s ASP 790 Ca 0.12 -0.55 -0.33 0.00 0.71 0.00 0.00 52.55 52.49 3gtq s ASP 790 Cb -0.22 -1.46 -0.10 0.00 1.01 0.00 0.00 42.92 42.15 3gtq s ASP 790 CO -0.04 0.11 2.11 0.35 0.21 0.00 0.00 175.17 177.91 3gtq n THR 791 N 3.87 0.32 -1.75 -1.27 -2.24 -1.26 -3.75 114.28 108.20 3gtq n THR 791 Ca -0.19 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3gtq n THR 791 Cb 0.52 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 3gtq n THR 791 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gtq n MET 792 N 7.87 -3.15 -3.67 -0.78 2.81 -1.21 -4.89 117.12 114.10 3gtq n MET 792 Ca 0.34 2.48 -0.14 0.00 -1.81 0.00 0.00 57.70 58.57 3gtq n MET 792 Cb 0.29 -2.97 -0.13 0.00 -0.71 0.00 0.00 33.22 29.71 3gtq n MET 792 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtq s ALA 793 N -0.35 -0.53 0.02 3.04 0.00 -0.63 -4.98 121.76 118.33 3gtq s ALA 793 Ca 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 3gtq s ALA 793 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 3gtq s ALA 793 CO 0.00 -0.62 0.26 -0.80 0.00 0.00 0.00 175.76 174.60 3gtq s ASN 794 N 2.38 6.46 0.04 0.00 0.01 -1.26 -1.82 114.94 120.74 3gtq s ASN 794 Ca 0.01 0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 52.55 3gtq s ASN 794 Cb -0.12 -2.06 0.01 0.00 0.41 0.00 0.00 41.25 39.49 3gtq s ASN 794 CO -0.08 0.23 0.24 0.27 -1.51 0.00 0.00 177.10 176.24 3gtq s ILE 795 N -1.36 0.10 -0.00 0.60 -5.25 -1.07 -4.48 121.20 109.73 3gtq s ILE 795 Ca 0.30 -0.80 -0.23 0.00 -0.99 0.00 0.00 60.65 58.93 3gtq s ILE 795 Cb -0.13 -0.89 -0.05 0.00 2.95 0.00 0.00 42.46 44.34 3gtq s ILE 795 CO 0.18 -0.44 0.67 -0.22 -1.79 0.00 0.00 174.94 173.35 3gtq s LEU 796 N -2.03 4.40 0.09 0.37 2.96 -1.26 -1.25 118.68 121.97 3gtq s LEU 796 Ca -0.06 1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 3gtq s LEU 796 Cb -0.01 -3.06 -0.14 0.00 0.50 0.00 0.00 46.19 43.48 3gtq s LEU 796 CO -0.03 0.02 1.61 1.88 -1.32 0.00 0.00 176.35 178.52 3gtq h TYR 797 N 5.90 -0.95 -2.08 5.38 -1.99 -1.29 -3.35 116.97 118.60 3gtq h TYR 797 Ca -0.44 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 59.74 3gtq h TYR 797 Cb 1.20 0.37 -0.40 0.00 2.00 0.00 0.00 36.73 39.89 3gtq h TYR 797 CO 0.65 -0.50 -0.94 0.66 -0.00 0.00 0.00 178.16 178.03 3gtq n TYR 798 N -5.46 1.20 -2.10 4.88 4.02 -1.26 -5.09 117.16 113.34 3gtq n TYR 798 Ca -0.10 -3.80 -0.42 0.00 -0.01 0.00 0.00 57.90 53.57 3gtq n TYR 798 Cb 0.36 -0.43 -0.03 0.00 -0.02 0.00 0.00 39.34 39.22 3gtq n TYR 798 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3gtq s PRO 799 N -1.94 4.30 0.06 -0.72 0.02 -1.26 -4.84 135.00 130.62 3gtq s PRO 799 Ca 0.38 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3gtq s PRO 799 Cb 0.20 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 3gtq s PRO 799 CO -0.08 -0.45 0.01 -0.65 -0.33 0.00 0.00 177.00 175.50 3gtq s GLN 800 N 0.78 2.65 0.71 5.54 -0.21 -1.12 -4.91 119.66 123.11 3gtq s GLN 800 Ca 0.64 -0.75 -0.15 0.00 0.02 0.00 0.00 55.36 55.12 3gtq s GLN 800 Cb -0.39 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.05 3gtq s GLN 800 CO 0.33 0.57 1.19 -1.59 -2.12 0.00 0.00 175.29 173.67 3gtq s LYS 801 N -2.09 2.26 0.92 2.91 -2.85 -1.26 -4.57 119.74 115.06 3gtq s LYS 801 Ca 0.24 1.72 -0.11 0.00 -1.00 0.00 0.00 55.97 56.82 3gtq s LYS 801 Cb -0.12 -1.85 0.14 0.00 -2.06 0.00 0.00 37.83 33.95 3gtq s LYS 801 CO 0.16 -1.73 1.10 -1.25 0.10 0.00 0.00 175.35 173.73 3gtq s PRO 802 N -3.90 1.04 0.04 1.78 0.04 -1.26 -4.77 135.00 127.95 3gtq s PRO 802 Ca 0.74 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3gtq s PRO 802 Cb -0.28 -1.76 -0.25 0.00 0.04 0.00 0.00 34.50 32.26 3gtq s PRO 802 CO 0.44 -2.50 0.98 -0.07 0.04 0.00 0.00 177.00 175.89 3gtq h LEU 803 N -1.75 0.20 -8.14 -3.56 3.38 -1.95 -3.43 115.31 100.06 3gtq h LEU 803 Ca -0.48 -0.26 -0.70 0.00 0.09 0.00 0.00 57.88 56.53 3gtq h LEU 803 Cb 1.27 -0.06 -0.30 0.00 0.09 0.00 0.00 40.66 41.66 3gtq h LEU 803 CO 0.48 1.22 -0.61 -0.83 0.09 0.00 0.00 178.44 178.79 3gtq s GLY 804 N -4.88 1.84 0.49 0.83 0.00 -1.26 -0.88 107.32 103.46 3gtq s GLY 804 Ca -0.05 -1.83 0.08 0.00 0.00 0.00 0.00 44.72 42.92 3gtq s GLY 804 CO 0.84 0.79 0.52 -0.51 0.00 0.00 0.00 173.10 174.74 3gtq s THR 805 N 1.36 2.33 0.21 0.90 -4.23 -0.02 -4.78 115.64 111.41 3gtq s THR 805 Ca -0.01 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 3gtq s THR 805 Cb -0.20 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3gtq s THR 805 CO 0.02 0.00 0.20 -0.89 -0.54 0.00 0.00 174.62 173.41 3gtq s THR 806 N -2.58 4.62 -0.08 3.99 2.01 -1.26 -1.59 115.64 120.75 3gtq s THR 806 Ca 0.49 -1.20 0.31 0.00 0.31 0.00 0.00 61.69 61.60 3gtq s THR 806 Cb -0.05 -3.45 0.36 0.00 0.01 0.00 0.00 72.50 69.38 3gtq s THR 806 CO 0.30 -0.25 1.89 0.03 -0.69 0.00 0.00 174.62 175.90 3gtq h ARG 807 N 1.80 0.00 0.15 4.92 2.47 -1.93 -3.12 114.38 118.67 3gtq h ARG 807 Ca -0.49 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 57.90 3gtq h ARG 807 Cb 1.22 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3gtq h ARG 807 CO 0.62 0.00 -1.66 0.00 0.56 0.00 0.00 179.97 179.49 3gtq h ALA 808 N 2.05 0.24 0.00 0.04 0.00 -1.94 -3.36 119.26 116.29 3gtq h ALA 808 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3gtq h ALA 808 Cb 0.56 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gtq h ALA 808 CO 0.00 1.10 0.00 -0.12 0.00 0.00 0.00 179.25 180.23 3gtq n MET 809 N -3.51 0.00 -0.06 0.00 0.00 -1.18 -2.39 117.12 109.99 3gtq n MET 809 Ca -0.21 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.38 3gtq n MET 809 Cb 1.06 -0.69 -0.04 0.00 0.00 0.00 0.00 33.22 33.55 3gtq n MET 809 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3gtq n GLU 810 N 0.03 0.25 0.01 2.12 4.07 -1.26 -3.90 120.64 121.96 3gtq n GLU 810 Ca 0.00 0.09 0.12 0.00 -0.06 0.00 0.00 57.16 57.32 3gtq n GLU 810 Cb 0.00 -0.99 0.29 0.00 -0.06 0.00 0.00 31.44 30.68 3gtq n GLU 810 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3gtq n TYR 811 N -3.32 0.10 1.07 4.31 4.02 -1.01 -2.95 117.16 119.40 3gtq n TYR 811 Ca -0.21 0.03 0.13 0.00 -0.01 0.00 0.00 57.90 57.83 3gtq n TYR 811 Cb 0.67 -0.36 0.61 0.00 -0.02 0.00 0.00 39.34 40.23 3gtq n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gtq n LEU 812 N -1.61 0.00 -0.01 7.72 7.99 -1.15 -4.89 117.00 125.04 3gtq n LEU 812 Ca 0.05 0.38 -0.00 0.00 -0.01 0.00 0.00 56.01 56.43 3gtq n LEU 812 Cb 0.35 -0.38 -0.00 0.00 -0.11 0.00 0.00 43.42 43.28 3gtq n LEU 812 CO 0.34 -0.05 -0.00 0.29 -1.51 0.00 0.00 177.39 176.46 3gtq n LYS 813 N -1.38 -1.99 -0.18 3.23 4.76 -1.15 -4.82 118.16 116.63 3gtq n LYS 813 Ca 0.10 0.35 -0.05 0.00 -2.87 0.00 0.00 58.31 55.83 3gtq n LYS 813 Cb 0.25 -4.22 0.04 0.00 -1.84 0.00 0.00 35.03 29.26 3gtq n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3gtq h PHE 814 N 0.00 0.58 0.00 2.13 3.57 -1.85 -2.77 116.94 118.60 3gtq h PHE 814 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3gtq h PHE 814 Cb 0.69 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3gtq h PHE 814 CO 0.43 0.33 0.00 2.89 -2.23 0.00 0.00 178.31 179.73 3gtq n ARG 815 N -4.80 0.77 0.00 1.11 1.85 -1.25 -0.84 116.66 113.51 3gtq n ARG 815 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 3gtq n ARG 815 Cb 0.08 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.13 3gtq n ARG 815 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3gtq n GLU 816 N 0.16 2.50 -3.16 2.89 4.71 -1.06 -4.78 120.64 121.90 3gtq n GLU 816 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.94 3gtq n GLU 816 Cb 0.21 -0.62 -0.04 0.00 -1.01 0.00 0.00 31.44 29.98 3gtq n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gtq n LEU 817 N -0.66 1.41 -4.43 -4.62 4.77 -0.89 -5.09 117.00 107.49 3gtq n LEU 817 Ca 0.00 -5.08 -0.30 0.00 -0.03 0.00 0.00 56.01 50.60 3gtq n LEU 817 Cb 0.07 0.45 0.22 0.00 -2.33 0.00 0.00 43.42 41.83 3gtq n LEU 817 CO 0.00 2.25 0.18 -0.81 -1.33 0.00 0.00 177.39 177.68 3gtq n PRO 818 N 0.42 -1.88 -3.28 3.23 -0.04 -0.02 -4.62 135.00 128.80 3gtq n PRO 818 Ca 0.25 -0.52 -0.24 0.00 -0.04 0.00 0.00 63.50 62.95 3gtq n PRO 818 Cb 0.58 -2.03 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 3gtq n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtq n ALA 819 N -4.66 2.30 0.00 0.55 0.00 -1.26 -3.03 120.51 114.41 3gtq n ALA 819 Ca 0.03 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.50 3gtq n ALA 819 Cb 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3gtq n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtq n GLY 820 N 2.49 4.46 3.95 0.00 0.00 -1.22 -4.71 105.19 110.17 3gtq n GLY 820 Ca 0.27 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 3gtq n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtq s GLN 821 N -4.17 3.37 -1.08 1.61 -0.21 -1.05 -2.80 119.66 115.33 3gtq s GLN 821 Ca 0.00 -0.80 -0.03 0.00 0.02 0.00 0.00 55.36 54.54 3gtq s GLN 821 Cb 0.00 -2.85 0.30 0.00 1.00 0.00 0.00 33.01 31.46 3gtq s GLN 821 CO 0.00 0.41 1.63 -1.71 -2.12 0.00 0.00 175.29 173.50 3gtq n ASN 822 N -1.39 6.68 -4.76 5.90 2.85 -1.26 -2.20 115.26 121.08 3gtq n ASN 822 Ca -0.09 -3.47 -0.40 0.00 -0.11 0.00 0.00 54.58 50.52 3gtq n ASN 822 Cb 0.57 -1.26 -0.05 0.00 1.24 0.00 0.00 39.78 40.28 3gtq n ASN 822 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtq s ALA 823 N -3.03 3.35 0.01 5.20 0.00 -1.25 -4.59 121.76 121.45 3gtq s ALA 823 Ca 0.34 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3gtq s ALA 823 Cb 0.10 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3gtq s ALA 823 CO 0.03 0.03 1.31 0.42 0.00 0.00 0.00 175.76 177.55 3gtq s ILE 824 N -1.23 3.85 -0.12 0.00 -1.09 -1.26 -2.66 121.20 118.70 3gtq s ILE 824 Ca 0.44 1.26 0.03 0.00 -2.23 0.00 0.00 60.65 60.14 3gtq s ILE 824 Cb -0.28 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3gtq s ILE 824 CO 0.35 0.03 -0.21 0.54 -1.23 0.00 0.00 174.94 174.42 3gtq s VAL 825 N 1.96 2.28 -0.17 2.92 0.11 0.67 -0.71 120.40 127.47 3gtq s VAL 825 Ca 0.61 -0.93 -0.23 0.00 -2.93 0.00 0.00 61.98 58.50 3gtq s VAL 825 Cb -0.30 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 3gtq s VAL 825 CO 0.26 0.55 0.72 0.00 -3.33 0.00 0.00 175.10 173.30 3gtq s ALA 826 N 0.52 3.50 -0.39 1.54 0.00 0.12 -2.53 121.76 124.52 3gtq s ALA 826 Ca -0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 3gtq s ALA 826 Cb -0.17 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3gtq s ALA 826 CO 0.05 -0.53 0.25 0.42 0.00 0.00 0.00 175.76 175.95 3gtq s ILE 827 N 1.85 4.88 -0.16 0.00 1.01 -0.88 -0.83 121.20 127.07 3gtq s ILE 827 Ca 0.34 -0.76 -0.34 0.00 0.00 0.00 0.00 60.65 59.88 3gtq s ILE 827 Cb -0.16 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.72 3gtq s ILE 827 CO 0.12 -0.27 1.19 0.00 0.00 0.00 0.00 174.94 175.99 3gtq s ALA 828 N 1.61 -2.07 0.24 9.38 0.00 -0.27 -3.71 121.76 126.94 3gtq s ALA 828 Ca 0.03 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3gtq s ALA 828 Cb -0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 3gtq s ALA 828 CO 0.08 -0.65 1.15 0.00 0.00 0.00 0.00 175.76 176.35 3gtq n TYR 830 N 1.73 0.00 1.32 0.00 9.36 -1.26 -4.92 117.16 123.39 3gtq n TYR 830 Ca 0.01 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.36 3gtq n TYR 830 Cb 0.45 0.00 0.40 0.00 -0.63 0.00 0.00 39.34 39.55 3gtq n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3gtq n SER 831 N 0.00 1.94 -2.24 2.98 3.41 -1.26 -4.92 113.62 113.53 3gtq n SER 831 Ca 0.00 -1.65 -0.19 0.00 -0.26 0.00 0.00 58.87 56.77 3gtq n SER 831 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3gtq n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtq n GLY 832 N 1.22 -0.39 0.14 5.00 0.00 -1.26 -4.88 105.19 105.02 3gtq n GLY 832 Ca 0.18 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3gtq n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gtq h TYR 833 N -0.31 0.00 -0.30 1.61 -1.99 -1.97 -3.34 116.97 110.67 3gtq h TYR 833 Ca -0.44 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.26 3gtq h TYR 833 Cb 1.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.04 3gtq h TYR 833 CO 0.48 0.29 0.04 0.27 -0.00 0.00 0.00 178.16 179.24 3gtq n ASN 834 N -2.99 3.31 -4.78 3.88 6.94 -1.26 -4.51 115.26 115.86 3gtq n ASN 834 Ca -0.01 -2.49 -0.36 0.00 -0.02 0.00 0.00 54.58 51.70 3gtq n ASN 834 Cb 0.67 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 3gtq n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3gtq s GLN 835 N -1.83 3.70 -0.64 -3.83 -0.21 -1.26 -3.31 119.66 112.29 3gtq s GLN 835 Ca 0.27 1.65 -0.07 0.00 0.02 0.00 0.00 55.36 57.22 3gtq s GLN 835 Cb 0.21 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.95 3gtq s GLN 835 CO 0.07 -0.57 0.66 0.39 -2.12 0.00 0.00 175.29 173.72 3gtq n GLU 836 N -0.72 -1.71 -1.82 2.91 -0.58 -1.26 -3.42 120.64 114.05 3gtq n GLU 836 Ca 0.08 1.60 0.00 0.00 -0.42 0.00 0.00 57.16 58.42 3gtq n GLU 836 Cb 0.50 -5.10 0.00 0.00 -0.57 0.00 0.00 31.44 26.26 3gtq n GLU 836 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3gtq n ASP 837 N -1.32 0.00 -4.45 1.62 3.85 -1.26 -4.94 116.55 110.05 3gtq n ASP 837 Ca -0.01 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.80 3gtq n ASP 837 Cb 0.52 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.25 3gtq n ASP 837 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3gtq n SER 838 N 0.40 3.01 -3.66 -1.12 3.41 -1.21 -3.65 113.62 110.81 3gtq n SER 838 Ca 0.00 -2.89 -0.10 0.00 -0.26 0.00 0.00 58.87 55.62 3gtq n SER 838 Cb 0.00 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3gtq n SER 838 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtq s MET 839 N -3.78 1.04 -0.19 4.33 0.23 0.92 -4.38 119.30 117.47 3gtq s MET 839 Ca 0.10 -0.72 -0.06 0.00 -1.03 0.00 0.00 55.69 53.98 3gtq s MET 839 Cb -0.01 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 3gtq s MET 839 CO 0.06 -0.40 0.03 0.42 -2.03 0.00 0.00 175.02 173.11 3gtq s ILE 840 N -3.75 4.39 -0.10 3.16 1.01 -0.96 0.01 121.20 124.97 3gtq s ILE 840 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3gtq s ILE 840 Cb 0.02 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3gtq s ILE 840 CO -0.12 0.44 -0.24 -0.32 0.00 0.00 0.00 174.94 174.71 3gtq s MET 841 N 0.64 2.99 -0.40 2.79 1.75 -0.86 0.03 119.30 126.25 3gtq s MET 841 Ca 0.01 -0.86 -0.27 0.00 -1.25 0.00 0.00 55.69 53.32 3gtq s MET 841 Cb -0.14 -2.26 -0.06 0.00 2.84 0.00 0.00 34.83 35.21 3gtq s MET 841 CO 0.02 0.17 2.35 -1.71 -0.65 0.00 0.00 175.02 175.20 3gtq n ASN 842 N 3.53 2.64 -0.11 1.11 5.15 -1.15 -2.18 115.26 124.25 3gtq n ASN 842 Ca -0.19 -0.25 -0.05 0.00 -0.60 0.00 0.00 54.58 53.49 3gtq n ASN 842 Cb 0.53 -1.57 0.01 0.00 -0.53 0.00 0.00 39.78 38.22 3gtq n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3gtq h GLN 843 N 17.91 -0.05 0.00 1.20 5.75 0.71 0.47 115.11 141.10 3gtq h GLN 843 Ca -0.30 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3gtq h GLN 843 Cb 1.26 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3gtq h GLN 843 CO 1.09 -0.03 0.14 0.77 -2.65 0.00 0.00 178.83 178.14 3gtq h SER 844 N -0.05 0.00 0.62 -0.69 0.02 -1.88 0.50 113.55 112.08 3gtq h SER 844 Ca 0.18 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.86 3gtq h SER 844 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3gtq h SER 844 CO -0.41 0.00 -1.39 0.77 -1.14 0.00 0.00 176.83 174.66 3gtq h SER 845 N 0.00 0.22 -0.92 3.07 4.64 -1.26 -3.28 113.55 116.03 3gtq h SER 845 Ca 0.00 -0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 3gtq h SER 845 Cb 0.27 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 3gtq h SER 845 CO 0.00 1.25 0.59 0.40 -0.87 0.00 0.00 176.83 178.19 3gtq h ILE 846 N 0.04 1.11 -0.29 0.95 1.08 0.52 -2.12 117.51 118.80 3gtq h ILE 846 Ca -0.18 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 3gtq h ILE 846 Cb 1.94 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 3gtq h ILE 846 CO 0.14 0.20 -0.07 0.44 -0.69 0.00 0.00 178.15 178.18 3gtq h ASP 847 N 1.11 0.45 0.33 1.72 3.32 -1.48 0.49 116.42 122.36 3gtq h ASP 847 Ca 0.38 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3gtq h ASP 847 Cb 0.07 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3gtq h ASP 847 CO -0.14 0.57 0.00 0.54 -1.72 0.00 0.00 179.24 178.48 3gtq n ARG 848 N -4.25 0.30 0.00 3.56 1.74 -0.85 -4.86 116.66 112.30 3gtq n ARG 848 Ca 0.01 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3gtq n ARG 848 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3gtq n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gtq n GLY 849 N 0.32 1.03 3.67 -0.13 0.00 0.16 -5.07 105.19 105.16 3gtq n GLY 849 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3gtq n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gtq s LEU 850 N 0.00 4.38 -0.87 0.99 0.20 -0.86 -2.80 118.68 119.72 3gtq s LEU 850 Ca 0.00 2.52 0.00 0.00 0.69 0.00 0.00 54.13 57.34 3gtq s LEU 850 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 3gtq s LEU 850 CO 0.00 -0.97 0.00 0.49 -0.29 0.00 0.00 176.35 175.58 3gtq n PHE 851 N 6.59 -0.40 -2.43 5.38 0.99 -1.26 -4.58 117.46 121.74 3gtq n PHE 851 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.31 3gtq n PHE 851 Cb 0.41 -2.33 -0.04 0.00 -1.00 0.00 0.00 39.48 36.52 3gtq n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3gtq s ARG 852 N -4.26 3.96 -0.03 -1.08 0.52 -1.12 -4.40 118.95 112.53 3gtq s ARG 852 Ca 0.00 0.95 -0.09 0.00 -0.52 0.00 0.00 55.73 56.07 3gtq s ARG 852 Cb 0.00 -2.14 0.01 0.00 0.52 0.00 0.00 34.95 33.34 3gtq s ARG 852 CO 0.00 -0.25 0.20 -1.54 0.02 0.00 0.00 175.30 173.74 3gtq s SER 853 N -3.01 -0.11 -0.19 0.23 1.04 -0.96 -0.76 113.70 109.93 3gtq s SER 853 Ca 0.59 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.95 3gtq s SER 853 Cb -0.10 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3gtq s SER 853 CO 0.30 -0.29 0.35 -0.76 0.98 0.00 0.00 173.24 173.82 3gtq s LEU 854 N -0.87 4.18 -0.22 2.42 1.43 -0.38 -0.13 118.68 125.09 3gtq s LEU 854 Ca -0.10 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3gtq s LEU 854 Cb -0.05 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3gtq s LEU 854 CO 0.02 -0.02 -0.09 0.12 0.23 0.00 0.00 176.35 176.61 3gtq s PHE 855 N 1.05 2.97 -0.00 0.29 5.36 0.39 -2.61 117.98 125.43 3gtq s PHE 855 Ca 0.18 -1.39 0.01 0.00 -0.96 0.00 0.00 56.93 54.76 3gtq s PHE 855 Cb -0.14 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3gtq s PHE 855 CO 0.07 -0.69 0.04 -0.06 -1.46 0.00 0.00 175.22 173.11 3gtq s PHE 856 N 1.36 3.17 -0.29 10.12 0.40 -0.76 -0.64 117.98 131.35 3gtq s PHE 856 Ca 0.03 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3gtq s PHE 856 Cb -0.15 -1.70 0.13 0.00 0.51 0.00 0.00 43.02 41.81 3gtq s PHE 856 CO -0.06 0.50 0.29 0.50 0.70 0.00 0.00 175.22 177.15 3gtq s ARG 857 N -1.62 0.32 0.26 0.44 3.52 -0.79 -1.60 118.95 119.48 3gtq s ARG 857 Ca 0.21 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 3gtq s ARG 857 Cb -0.12 -0.69 -0.09 0.00 -1.56 0.00 0.00 34.95 32.49 3gtq s ARG 857 CO 0.12 -1.03 1.05 -1.12 -0.81 0.00 0.00 175.30 173.50 3gtq s SER 858 N 2.34 7.39 -0.07 -2.12 0.01 -1.25 -2.09 113.70 117.90 3gtq s SER 858 Ca 0.09 2.16 0.05 0.00 1.31 0.00 0.00 55.95 59.56 3gtq s SER 858 Cb -0.14 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 3gtq s SER 858 CO -0.33 -0.05 -0.23 -0.31 0.41 0.00 0.00 173.24 172.73 3gtq s TYR 859 N -1.11 2.52 0.18 2.43 1.51 0.19 -4.68 117.35 118.39 3gtq s TYR 859 Ca 0.44 -0.72 0.11 0.00 -1.01 0.00 0.00 57.07 55.89 3gtq s TYR 859 Cb -0.30 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3gtq s TYR 859 CO 0.38 -0.21 -0.24 1.41 -1.11 0.00 0.00 175.55 175.78 3gtq s MET 860 N -0.08 1.45 -0.08 -0.62 1.75 -1.26 -0.50 119.30 119.97 3gtq s MET 860 Ca -0.06 -1.47 -0.30 0.00 -1.25 0.00 0.00 55.69 52.61 3gtq s MET 860 Cb -0.14 -1.76 0.09 0.00 2.84 0.00 0.00 34.83 35.86 3gtq s MET 860 CO 0.04 0.39 0.80 0.34 -0.65 0.00 0.00 175.02 175.94 3gtq s ASP 861 N -2.55 -0.54 0.30 1.11 -1.08 -0.88 -5.00 116.67 108.04 3gtq s ASP 861 Ca 0.18 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 52.82 3gtq s ASP 861 Cb -0.08 0.45 -0.03 0.00 -1.46 0.00 0.00 42.92 41.80 3gtq s ASP 861 CO 0.09 -0.53 0.25 -1.10 0.52 0.00 0.00 175.17 174.40 3gtq s GLN 862 N -1.34 1.65 -0.07 4.34 -0.21 -1.26 -2.17 119.66 120.59 3gtq s GLN 862 Ca -0.07 -1.94 0.04 0.00 0.02 0.00 0.00 55.36 53.42 3gtq s GLN 862 Cb -0.00 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.32 3gtq s GLN 862 CO 0.05 -0.60 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.21 3gtq s GLU 863 N -3.59 2.40 0.11 2.91 2.02 -1.23 -5.03 118.70 116.30 3gtq s GLU 863 Ca 0.40 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3gtq s GLU 863 Cb 0.03 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.34 3gtq s GLU 863 CO 0.24 0.20 0.00 0.36 0.02 0.00 0.00 175.26 176.08 3gtq n LYS 864 N 3.40 -0.79 0.00 1.61 2.85 -1.26 -4.82 118.16 119.16 3gtq n LYS 864 Ca -0.19 0.57 0.00 0.00 -1.05 0.00 0.00 58.31 57.64 3gtq n LYS 864 Cb 0.53 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 3gtq n LYS 864 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gtq n LYS 865 N -2.24 0.00 -2.90 -1.58 4.81 -1.26 -5.00 118.16 109.99 3gtq n LYS 865 Ca -0.01 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 3gtq n LYS 865 Cb 0.55 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.58 3gtq n LYS 865 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3gtq s TYR 866 N 2.93 3.22 -0.28 5.64 1.51 -1.26 -4.97 117.35 124.14 3gtq s TYR 866 Ca 0.00 -1.66 0.01 0.00 -1.01 0.00 0.00 57.07 54.40 3gtq s TYR 866 Cb 0.00 -4.34 0.06 0.00 -0.11 0.00 0.00 41.96 37.57 3gtq s TYR 866 CO 0.00 -1.49 -0.05 0.20 -1.11 0.00 0.00 175.55 173.10 3gtq s GLY 867 N 3.42 1.72 -0.09 0.71 0.00 -1.26 -4.93 107.32 106.90 3gtq s GLY 867 Ca 0.38 -1.80 0.09 0.00 0.00 0.00 0.00 44.72 43.38 3gtq s GLY 867 CO -0.05 0.67 1.19 1.03 0.00 0.00 0.00 173.10 175.94 3gtq n MET 868 N 4.52 2.73 0.00 2.90 2.81 -1.26 -4.17 117.12 124.65 3gtq n MET 868 Ca -0.13 -1.58 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 3gtq n MET 868 Cb 0.43 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3gtq n MET 868 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3gtq n SER 869 N 0.42 0.00 -4.13 7.83 3.41 -1.26 -5.10 113.62 114.79 3gtq n SER 869 Ca 0.14 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.42 3gtq n SER 869 Cb 0.63 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.43 3gtq n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gtq s ILE 870 N 0.00 2.46 -0.04 -1.33 1.09 -1.26 -5.09 121.20 117.04 3gtq s ILE 870 Ca 0.00 -1.34 -0.02 0.00 -1.10 0.00 0.00 60.65 58.19 3gtq s ILE 870 Cb 0.00 -2.33 0.03 0.00 -1.06 0.00 0.00 42.46 39.10 3gtq s ILE 870 CO 0.00 0.10 0.06 -0.89 -0.10 0.00 0.00 174.94 174.11 3gtq s THR 871 N 1.21 -0.11 0.70 2.92 2.01 -1.26 -4.02 115.64 117.09 3gtq s THR 871 Ca -0.04 0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 3gtq s THR 871 Cb -0.18 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.20 3gtq s THR 871 CO -0.05 0.16 1.08 -1.61 -0.69 0.00 0.00 174.62 173.50 3gtq s GLU 872 N 1.99 2.75 -0.03 4.92 2.02 -1.26 -4.73 118.70 124.36 3gtq s GLU 872 Ca 0.02 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.10 3gtq s GLU 872 Cb -0.12 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3gtq s GLU 872 CO -0.03 -1.25 0.07 0.95 0.02 0.00 0.00 175.26 175.01 3gtq s THR 873 N -2.83 -0.00 -0.04 3.63 -4.23 -1.11 -4.75 115.64 106.31 3gtq s THR 873 Ca 0.61 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.86 3gtq s THR 873 Cb -0.16 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 3gtq s THR 873 CO 0.51 0.00 0.82 -0.36 -0.54 0.00 0.00 174.62 175.05 3gtq s PHE 874 N 0.06 3.60 -0.23 3.99 2.99 -1.26 -1.10 117.98 126.04 3gtq s PHE 874 Ca -0.00 1.43 -0.34 0.00 0.00 0.00 0.00 56.93 58.01 3gtq s PHE 874 Cb -0.01 -2.94 0.15 0.00 0.00 0.00 0.00 43.02 40.23 3gtq s PHE 874 CO -0.00 0.04 1.25 -1.83 -0.00 0.00 0.00 175.22 174.68 3gtq s GLU 875 N 0.94 0.23 -0.84 0.44 -1.05 -0.70 -4.63 118.70 113.09 3gtq s GLU 875 Ca 0.43 -0.05 -0.25 0.00 -0.15 0.00 0.00 54.97 54.95 3gtq s GLU 875 Cb -0.19 0.11 -0.00 0.00 -0.44 0.00 0.00 34.13 33.60 3gtq s GLU 875 CO 0.22 -0.09 1.68 0.21 0.95 0.00 0.00 175.26 178.23 3gtq s LYS 876 N -1.94 2.95 0.61 -4.83 2.20 -1.26 -4.25 119.74 113.21 3gtq s LYS 876 Ca 0.09 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.30 3gtq s LYS 876 Cb -0.01 -4.84 -0.02 0.00 -1.51 0.00 0.00 37.83 31.45 3gtq s LYS 876 CO -0.04 -2.72 0.98 -1.25 -0.36 0.00 0.00 175.35 171.96 3gtq s PRO 877 N 6.27 3.30 -0.16 4.03 0.04 -1.26 -5.06 135.00 142.15 3gtq s PRO 877 Ca 0.57 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 3gtq s PRO 877 Cb -0.06 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3gtq s PRO 877 CO 0.04 -0.64 0.42 1.14 0.04 0.00 0.00 177.00 178.01 3gtq s GLN 878 N -5.11 0.49 7.41 4.56 1.03 -1.26 -5.06 119.66 121.71 3gtq s GLN 878 Ca 0.54 0.61 0.00 0.00 0.04 0.00 0.00 55.36 56.55 3gtq s GLN 878 Cb -0.11 0.21 0.00 0.00 0.03 0.00 0.00 33.01 33.15 3gtq s GLN 878 CO 0.50 -0.07 0.00 0.54 -2.54 0.00 0.00 175.29 173.72 3gtq n ARG 879 N 3.00 0.00 -3.91 9.60 5.12 -1.26 -4.93 116.66 124.28 3gtq n ARG 879 Ca -0.14 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.48 3gtq n ARG 879 Cb 0.57 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.71 3gtq n ARG 879 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3gtq s THR 880 N 0.00 1.29 0.00 0.55 2.01 -1.19 -4.62 115.64 113.68 3gtq s THR 880 Ca 0.00 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3gtq s THR 880 Cb 0.00 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.99 3gtq s THR 880 CO 0.00 0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.53 3gtq n ASN 881 N 4.78 -2.36 -0.08 3.53 4.13 -1.26 -0.92 115.26 123.08 3gtq n ASN 881 Ca -0.12 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.06 3gtq n ASN 881 Cb 0.46 -1.19 -0.12 0.00 -1.54 0.00 0.00 39.78 37.38 3gtq n ASN 881 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 3gtq n THR 882 N -2.40 1.09 -2.15 3.41 5.66 -1.26 -4.42 114.28 114.21 3gtq n THR 882 Ca 0.00 -0.66 -0.02 0.00 -3.05 0.00 0.00 64.05 60.32 3gtq n THR 882 Cb 0.10 -0.61 -0.00 0.00 -1.55 0.00 0.00 70.33 68.27 3gtq n THR 882 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3gtq n LEU 883 N -2.61 -0.14 -3.93 1.09 4.32 -1.26 -4.88 117.00 109.60 3gtq n LEU 883 Ca -0.26 0.36 -0.30 0.00 -0.02 0.00 0.00 56.01 55.79 3gtq n LEU 883 Cb 1.01 -1.03 -0.15 0.00 -1.62 0.00 0.00 43.42 41.62 3gtq n LEU 883 CO 0.33 -0.03 -0.38 -0.13 -1.22 0.00 0.00 177.39 175.96 3gtq s ARG 884 N -4.33 1.43 0.00 3.23 0.52 -1.26 -5.12 118.95 113.42 3gtq s ARG 884 Ca 0.00 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 3gtq s ARG 884 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3gtq s ARG 884 CO 0.00 -0.77 0.00 -1.33 0.02 0.00 0.00 175.30 173.22 3gtq n MET 885 N 4.58 2.08 -3.04 3.54 2.81 -1.26 -3.76 117.12 122.08 3gtq n MET 885 Ca -0.06 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.51 3gtq n MET 885 Cb 0.43 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.88 3gtq n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3gtq s LYS 886 N -1.87 4.05 0.58 0.03 3.01 -1.26 -4.97 119.74 119.31 3gtq s LYS 886 Ca 0.00 0.78 0.28 0.00 -1.01 0.00 0.00 55.97 56.02 3gtq s LYS 886 Cb 0.00 -2.36 1.69 0.00 -1.01 0.00 0.00 37.83 36.15 3gtq s LYS 886 CO 0.00 0.09 2.18 0.45 0.51 0.00 0.00 175.35 178.58 3gtq h HIS 887 N 2.11 0.00 -2.05 3.18 3.86 -2.00 -3.46 115.15 116.78 3gtq h HIS 887 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3gtq h HIS 887 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 3gtq h HIS 887 CO 0.62 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.82 3gtq n GLY 888 N -1.39 3.11 3.82 2.45 0.00 -1.26 -5.11 105.19 106.82 3gtq n GLY 888 Ca -0.01 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 3gtq n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtq s THR 889 N 2.21 5.07 -1.89 2.61 2.01 -1.26 -4.96 115.64 119.44 3gtq s THR 889 Ca 0.00 0.82 0.16 0.00 0.31 0.00 0.00 61.69 62.97 3gtq s THR 889 Cb 0.00 -3.71 0.15 0.00 0.01 0.00 0.00 72.50 68.96 3gtq s THR 889 CO 0.00 0.55 1.03 -1.22 -0.69 0.00 0.00 174.62 174.29 3gtq n TYR 890 N 2.05 0.06 0.22 4.92 4.02 -1.26 -2.65 117.16 124.52 3gtq n TYR 890 Ca -0.13 -0.05 0.14 0.00 -0.01 0.00 0.00 57.90 57.85 3gtq n TYR 890 Cb 0.52 -0.00 0.77 0.00 -0.02 0.00 0.00 39.34 40.62 3gtq n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3gtq h ASP 891 N 3.04 0.00 -0.00 7.72 3.32 -1.96 -2.57 116.42 125.96 3gtq h ASP 891 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtq h ASP 891 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3gtq h ASP 891 CO 0.00 0.00 -0.02 0.29 -1.72 0.00 0.00 179.24 177.79 3gtq n LYS 892 N -2.51 1.69 -2.35 3.56 5.02 -1.26 -4.87 118.16 117.44 3gtq n LYS 892 Ca -0.02 -1.04 -0.21 0.00 -2.02 0.00 0.00 58.31 55.02 3gtq n LYS 892 Cb 0.07 -1.48 0.11 0.00 -0.02 0.00 0.00 35.03 33.71 3gtq n LYS 892 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gtq n LEU 893 N 0.25 0.00 0.00 -0.35 4.32 -0.97 -4.23 117.00 116.02 3gtq n LEU 893 Ca 0.18 -1.88 0.00 0.00 -0.02 0.00 0.00 56.01 54.29 3gtq n LEU 893 Cb 0.38 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 3gtq n LEU 893 CO 0.17 -0.95 0.00 0.47 -1.22 0.00 0.00 177.39 175.86 3gtq n ASP 894 N -2.93 0.00 0.00 -1.43 8.00 -1.20 -4.91 116.55 114.07 3gtq n ASP 894 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3gtq n ASP 894 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3gtq n ASP 894 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gtq n ASP 895 N 0.00 1.09 0.13 -2.24 10.43 -1.26 -4.23 116.55 120.46 3gtq n ASP 895 Ca 0.00 -0.11 0.13 0.00 2.57 0.00 0.00 54.79 57.38 3gtq n ASP 895 Cb 0.00 0.43 0.43 0.00 1.84 0.00 0.00 41.12 43.82 3gtq n ASP 895 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 3gtq h ASP 896 N 0.00 0.00 -0.19 -2.24 3.04 -1.96 -3.40 116.42 111.67 3gtq h ASP 896 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3gtq h ASP 896 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3gtq h ASP 896 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3gtq n GLY 897 N 0.79 0.83 3.07 7.15 0.00 -1.26 -3.58 105.19 112.19 3gtq n GLY 897 Ca 0.04 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 3gtq n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtq s LEU 898 N -0.19 1.83 0.10 0.99 1.43 -1.26 -2.59 118.68 118.99 3gtq s LEU 898 Ca 0.00 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 3gtq s LEU 898 Cb 0.00 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.31 3gtq s LEU 898 CO 0.00 0.11 1.86 -0.38 0.23 0.00 0.00 176.35 178.17 3gtq n ILE 899 N 3.29 0.44 -2.27 -0.59 5.41 -1.16 -3.28 119.36 121.20 3gtq n ILE 899 Ca -0.19 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.06 3gtq n ILE 899 Cb 0.53 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.29 3gtq n ILE 899 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtq s ALA 900 N 3.06 3.62 0.01 -1.39 0.00 -1.26 -4.89 121.76 120.91 3gtq s ALA 900 Ca 0.83 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 3gtq s ALA 900 Cb -0.48 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 3gtq s ALA 900 CO 0.39 -1.14 0.03 -2.30 0.00 0.00 0.00 175.76 172.74 3gtq n PRO 901 N 6.33 0.00 0.00 0.00 -0.02 -1.26 -3.66 135.00 136.39 3gtq n PRO 901 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3gtq n PRO 901 Cb 0.44 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 3gtq n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtq n GLY 902 N 0.08 1.09 0.00 -1.23 0.00 -1.12 -5.03 105.19 98.99 3gtq n GLY 902 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3gtq n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtq n VAL 903 N 0.00 0.00 -2.75 1.61 0.31 -1.24 -2.42 118.33 113.84 3gtq n VAL 903 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3gtq n VAL 903 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3gtq n VAL 903 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtq s ARG 904 N 0.00 3.66 -0.03 5.55 0.52 -1.26 -2.61 118.95 124.77 3gtq s ARG 904 Ca 0.00 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3gtq s ARG 904 Cb 0.00 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 33.10 3gtq s ARG 904 CO 0.00 -0.11 -0.04 0.14 0.02 0.00 0.00 175.30 175.31 3gtq s VAL 905 N -2.55 0.46 0.03 3.52 -7.23 0.18 -4.95 120.40 109.86 3gtq s VAL 905 Ca 0.49 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.47 3gtq s VAL 905 Cb -0.10 -0.47 -0.00 0.00 0.56 0.00 0.00 36.38 36.36 3gtq s VAL 905 CO 0.38 0.19 0.15 -0.44 -0.31 0.00 0.00 175.10 175.07 3gtq s SER 906 N 0.69 0.07 0.68 4.85 0.01 -1.26 -0.74 113.70 118.01 3gtq s SER 906 Ca -0.09 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3gtq s SER 906 Cb -0.12 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3gtq s SER 906 CO -0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 3gtq n GLY 907 N 0.89 0.94 1.48 3.44 0.00 -1.25 -3.22 105.19 107.47 3gtq n GLY 907 Ca -0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3gtq n GLY 907 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gtq n GLU 908 N 0.00 0.75 -1.83 1.61 0.28 -1.26 -4.57 120.64 115.61 3gtq n GLU 908 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 3gtq n GLU 908 Cb 0.00 -1.12 0.02 0.00 1.43 0.00 0.00 31.44 31.76 3gtq n GLU 908 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3gtq s ASP 909 N 1.76 5.88 0.73 -1.84 1.11 -1.20 -4.28 116.67 118.83 3gtq s ASP 909 Ca 0.00 2.87 -0.12 0.00 0.18 0.00 0.00 52.55 55.48 3gtq s ASP 909 Cb 0.00 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.37 3gtq s ASP 909 CO 0.00 -1.17 1.11 -0.69 1.18 0.00 0.00 175.17 175.60 3gtq s VAL 910 N -1.22 3.26 0.00 -1.27 1.01 -1.09 -0.43 120.40 120.66 3gtq s VAL 910 Ca 0.61 0.41 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3gtq s VAL 910 Cb -0.43 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3gtq s VAL 910 CO 0.54 -0.54 0.00 -0.38 0.00 0.00 0.00 175.10 174.73 3gtq n ILE 911 N -3.10 0.00 -3.70 2.22 5.41 -1.09 -4.80 119.36 114.30 3gtq n ILE 911 Ca 0.07 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.59 3gtq n ILE 911 Cb 0.57 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.33 3gtq n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gtq s ILE 912 N -1.00 0.13 -0.23 1.39 1.01 -1.22 -2.99 121.20 118.28 3gtq s ILE 912 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 3gtq s ILE 912 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3gtq s ILE 912 CO 0.00 0.08 0.04 -0.83 0.00 0.00 0.00 174.94 174.22 3gtq s GLY 913 N 2.06 1.75 0.12 6.18 0.00 -1.07 -0.97 107.32 115.40 3gtq s GLY 913 Ca 0.04 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.76 3gtq s GLY 913 CO -0.05 0.39 -0.14 -1.59 0.00 0.00 0.00 173.10 171.71 3gtq s LYS 914 N 1.29 1.02 0.04 2.90 -2.85 -1.26 -1.73 119.74 119.16 3gtq s LYS 914 Ca 0.04 -1.25 0.07 0.00 -1.00 0.00 0.00 55.97 53.83 3gtq s LYS 914 Cb -0.15 -0.87 -0.03 0.00 -2.06 0.00 0.00 37.83 34.72 3gtq s LYS 914 CO 0.02 0.16 -0.19 0.95 0.10 0.00 0.00 175.35 176.39 3gtq s THR 915 N -2.24 2.69 -0.41 3.79 -4.23 -0.26 -2.05 115.64 112.94 3gtq s THR 915 Ca 0.09 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 3gtq s THR 915 Cb -0.04 -2.12 0.11 0.00 1.34 0.00 0.00 72.50 71.79 3gtq s THR 915 CO 0.03 0.35 0.16 0.28 -0.54 0.00 0.00 174.62 174.90 3gtq s THR 916 N -0.90 2.82 -0.56 3.99 -1.32 0.27 -2.74 115.64 117.21 3gtq s THR 916 Ca 0.14 -2.39 -0.26 0.00 -1.21 0.00 0.00 61.69 57.97 3gtq s THR 916 Cb -0.10 -2.98 -0.05 0.00 -1.51 0.00 0.00 72.50 67.85 3gtq s THR 916 CO 0.05 -0.68 2.19 -2.84 -2.21 0.00 0.00 174.62 171.13 3gtq s PRO 917 N 0.79 2.28 -0.07 7.08 0.02 -1.26 -0.43 135.00 143.41 3gtq s PRO 917 Ca 0.11 1.03 0.05 0.00 0.02 0.00 0.00 61.00 62.21 3gtq s PRO 917 Cb -0.21 -4.53 -0.00 0.00 0.02 0.00 0.00 34.50 29.77 3gtq s PRO 917 CO -0.05 -3.13 -0.22 0.42 -0.33 0.00 0.00 177.00 173.68 3gtq s ILE 918 N 11.12 1.88 -0.51 2.83 -1.09 -1.26 -4.90 121.20 129.27 3gtq s ILE 918 Ca 0.85 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3gtq s ILE 918 Cb -0.15 -1.61 0.13 0.00 -1.58 0.00 0.00 42.46 39.25 3gtq s ILE 918 CO 0.23 0.52 0.30 -0.94 -1.23 0.00 0.00 174.94 173.82 3gtq s SER 919 N 0.08 5.11 0.00 3.58 1.04 -1.26 -4.76 113.70 117.49 3gtq s SER 919 Ca -0.09 -2.50 0.00 0.00 0.48 0.00 0.00 55.95 53.84 3gtq s SER 919 Cb -0.15 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.17 3gtq s SER 919 CO 0.05 -0.42 0.00 -1.54 0.98 0.00 0.00 173.24 172.31 3gtq n SER 933 N 3.93 0.00 -4.70 7.02 3.41 -0.10 -5.27 113.62 117.91 3gtq n SER 933 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3gtq n SER 933 Cb 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 3gtq n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gtq s LYS 934 N 0.00 4.23 -0.11 4.33 1.02 -1.25 -4.18 119.74 123.77 3gtq s LYS 934 Ca 0.00 2.27 -0.02 0.00 0.02 0.00 0.00 55.97 58.24 3gtq s LYS 934 Cb 0.00 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3gtq s LYS 934 CO 0.00 -0.64 -0.03 0.50 -0.92 0.00 0.00 175.35 174.26 3gtq s ARG 935 N 1.96 3.19 0.57 1.68 3.52 0.43 -3.16 118.95 127.13 3gtq s ARG 935 Ca 0.71 -0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 55.61 3gtq s ARG 935 Cb -0.40 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3gtq s ARG 935 CO 0.31 0.51 1.25 0.34 -0.81 0.00 0.00 175.30 176.91 3gtq s ASP 936 N -0.38 5.30 0.00 -2.12 3.68 -1.25 0.95 116.67 122.86 3gtq s ASP 936 Ca 0.06 2.51 0.00 0.00 2.13 0.00 0.00 52.55 57.25 3gtq s ASP 936 Cb -0.12 -2.61 0.01 0.00 -1.45 0.00 0.00 42.92 38.74 3gtq s ASP 936 CO 0.02 -1.53 0.63 0.00 0.13 0.00 0.00 175.17 174.42 3gtq n ALA 937 N -1.30 2.13 -2.40 3.66 0.00 -0.87 -4.75 120.51 116.97 3gtq n ALA 937 Ca 0.12 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3gtq n ALA 937 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 3gtq n ALA 937 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gtq s SER 938 N -0.27 7.06 0.06 0.00 1.04 -1.24 -4.37 113.70 115.97 3gtq s SER 938 Ca 0.01 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.15 3gtq s SER 938 Cb 0.01 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 3gtq s SER 938 CO -0.00 -0.50 1.03 -0.89 0.98 0.00 0.00 173.24 173.86 3gtq s THR 939 N 1.20 4.52 0.51 2.02 2.01 -0.15 -4.95 115.64 120.79 3gtq s THR 939 Ca 0.59 1.90 0.09 0.00 0.31 0.00 0.00 61.69 64.58 3gtq s THR 939 Cb -0.30 -4.22 0.05 0.00 0.01 0.00 0.00 72.50 68.05 3gtq s THR 939 CO 0.29 0.20 0.69 -2.16 -0.69 0.00 0.00 174.62 172.95 3gtq s PRO 940 N 0.64 2.54 0.63 4.92 0.04 -1.26 -2.66 135.00 139.85 3gtq s PRO 940 Ca 0.52 -1.47 -0.11 0.00 0.04 0.00 0.00 61.00 59.98 3gtq s PRO 940 Cb -0.24 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 3gtq s PRO 940 CO 0.29 -0.60 1.03 -1.17 0.04 0.00 0.00 177.00 176.60 3gtq s LEU 941 N -4.53 3.23 0.12 -3.56 2.96 0.42 -4.87 118.68 112.45 3gtq s LEU 941 Ca 0.59 1.47 -0.35 0.00 -0.22 0.00 0.00 54.13 55.61 3gtq s LEU 941 Cb -0.08 -4.48 -0.15 0.00 0.50 0.00 0.00 46.19 41.99 3gtq s LEU 941 CO 0.36 -0.97 1.48 0.54 -1.32 0.00 0.00 176.35 176.44 3gtq n ARG 942 N -2.77 1.68 0.03 1.98 5.12 -1.26 -4.76 116.66 116.68 3gtq n ARG 942 Ca 0.06 0.61 0.02 0.00 -1.93 0.00 0.00 57.85 56.61 3gtq n ARG 942 Cb 0.54 -2.32 0.08 0.00 -1.16 0.00 0.00 32.46 29.60 3gtq n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3gtq n SER 943 N 3.08 0.08 -0.07 0.55 3.41 -1.26 -2.42 113.62 116.99 3gtq n SER 943 Ca 0.18 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.17 3gtq n SER 943 Cb 0.24 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 3gtq n SER 943 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gtq n THR 944 N -1.55 0.84 -1.77 6.66 -1.04 -1.26 -4.81 114.28 111.36 3gtq n THR 944 Ca -0.00 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.34 3gtq n THR 944 Cb 0.08 -0.94 0.07 0.00 -1.82 0.00 0.00 70.33 67.72 3gtq n THR 944 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gtq s GLU 945 N -2.30 2.46 -0.05 -2.82 2.02 -1.02 -4.93 118.70 112.08 3gtq s GLU 945 Ca -0.16 0.48 -0.24 0.00 0.02 0.00 0.00 54.97 55.06 3gtq s GLU 945 Cb 0.05 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.35 3gtq s GLU 945 CO 0.38 -1.32 0.53 0.54 0.02 0.00 0.00 175.26 175.41 3gtq s ASN 946 N -4.22 -0.48 0.00 -0.19 4.22 -1.26 -3.90 114.94 109.11 3gtq s ASN 946 Ca 0.60 0.50 0.00 0.00 -2.14 0.00 0.00 52.86 51.82 3gtq s ASN 946 Cb -0.12 0.49 0.00 0.00 1.28 0.00 0.00 41.25 42.90 3gtq s ASN 946 CO 0.52 -0.52 0.00 0.61 -2.04 0.00 0.00 177.10 175.67 3gtq n GLY 947 N 1.16 -0.55 2.83 0.45 0.00 0.08 -4.68 105.19 104.48 3gtq n GLY 947 Ca -0.20 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 3gtq n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtq s ILE 948 N -3.00 0.73 0.10 -0.61 1.01 -0.07 0.50 121.20 119.86 3gtq s ILE 948 Ca 0.00 -0.21 -0.35 0.00 0.00 0.00 0.00 60.65 60.09 3gtq s ILE 948 Cb 0.00 -0.88 -0.18 0.00 0.01 0.00 0.00 42.46 41.42 3gtq s ILE 948 CO 0.00 0.23 1.06 0.52 0.00 0.00 0.00 174.94 176.75 3gtq n VAL 949 N 5.03 0.60 -0.11 2.92 0.31 -1.02 -1.58 118.33 124.48 3gtq n VAL 949 Ca -0.10 -0.15 -0.23 0.00 -0.01 0.00 0.00 64.34 63.85 3gtq n VAL 949 Cb 0.49 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.94 3gtq n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3gtq n ASP 950 N 1.91 1.65 -3.56 4.52 2.03 -1.21 -2.79 116.55 119.10 3gtq n ASP 950 Ca 0.18 0.28 -0.14 0.00 0.52 0.00 0.00 54.79 55.63 3gtq n ASP 950 Cb 0.18 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.84 3gtq n ASP 950 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtq s GLN 951 N -2.46 0.80 0.47 -0.67 -2.07 -1.26 -4.77 119.66 109.69 3gtq s GLN 951 Ca -0.31 0.31 0.08 0.00 -1.82 0.00 0.00 55.36 53.62 3gtq s GLN 951 Cb 0.11 0.38 0.01 0.00 -1.09 0.00 0.00 33.01 32.43 3gtq s GLN 951 CO 0.40 -0.23 0.47 0.08 -1.32 0.00 0.00 175.29 174.69 3gtq s VAL 952 N -0.88 2.43 -0.15 3.63 1.01 -1.26 -2.81 120.40 122.37 3gtq s VAL 952 Ca -0.05 -1.28 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 3gtq s VAL 952 Cb -0.01 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.73 3gtq s VAL 952 CO 0.04 0.00 0.66 -1.48 0.00 0.00 0.00 175.10 174.33 3gtq s LEU 953 N -4.27 -0.56 -0.06 3.92 2.34 -1.20 -5.00 118.68 113.85 3gtq s LEU 953 Ca 0.48 1.02 0.02 0.00 0.06 0.00 0.00 54.13 55.71 3gtq s LEU 953 Cb -0.04 2.38 -0.03 0.00 -0.56 0.00 0.00 46.19 47.94 3gtq s LEU 953 CO 0.29 -0.42 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.36 3gtq s VAL 954 N -0.42 3.33 0.00 1.48 1.01 -1.26 -2.22 120.40 122.32 3gtq s VAL 954 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3gtq s VAL 954 Cb -0.03 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3gtq s VAL 954 CO 0.05 0.59 0.00 0.41 0.00 0.00 0.00 175.10 176.16 3gtq n THR 955 N 2.28 0.00 -4.46 3.92 -1.04 -0.25 -4.97 114.28 109.77 3gtq n THR 955 Ca -0.17 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.60 3gtq n THR 955 Cb 0.52 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.87 3gtq n THR 955 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gtq s THR 956 N -2.48 0.99 -0.40 12.58 2.01 -1.21 -1.29 115.64 125.83 3gtq s THR 956 Ca 0.00 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 3gtq s THR 956 Cb 0.00 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3gtq s THR 956 CO 0.00 0.32 0.40 0.21 -0.69 0.00 0.00 174.62 174.86 3gtq s ASN 957 N 0.76 6.18 0.00 3.53 3.04 -1.23 -4.80 114.94 122.42 3gtq s ASN 957 Ca -0.13 -0.60 0.00 0.00 0.04 0.00 0.00 52.86 52.17 3gtq s ASN 957 Cb -0.15 -2.21 0.00 0.00 -1.54 0.00 0.00 41.25 37.35 3gtq s ASN 957 CO 0.02 -0.50 0.00 1.67 -3.04 0.00 0.00 177.10 175.25 3gtq n GLN 958 N 5.48 0.00 -2.46 0.43 7.27 -1.26 -3.47 117.38 123.37 3gtq n GLN 958 Ca -0.08 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.58 3gtq n GLN 958 Cb 0.48 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.14 3gtq n GLN 958 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3gtq n ASP 959 N 0.00 7.49 -3.96 1.69 8.00 -1.26 -0.45 116.55 128.06 3gtq n ASP 959 Ca 0.00 -3.51 -0.29 0.00 0.71 0.00 0.00 54.79 51.70 3gtq n ASP 959 Cb 0.00 -1.24 0.01 0.00 -0.02 0.00 0.00 41.12 39.87 3gtq n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gtq n GLY 960 N 0.58 -0.40 3.86 0.44 0.00 -1.23 -4.95 105.19 103.49 3gtq n GLY 960 Ca 0.50 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 3gtq n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtq s LEU 961 N -7.12 4.40 -0.35 0.99 1.43 -1.24 -4.92 118.68 111.87 3gtq s LEU 961 Ca 0.45 0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 54.11 3gtq s LEU 961 Cb -0.23 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3gtq s LEU 961 CO 0.86 0.26 0.83 -0.75 0.23 0.00 0.00 176.35 177.79 3gtq s LYS 962 N -1.49 3.82 -0.02 1.70 2.20 -1.26 -3.29 119.74 121.41 3gtq s LYS 962 Ca 0.27 0.46 0.05 0.00 -0.36 0.00 0.00 55.97 56.39 3gtq s LYS 962 Cb -0.15 -3.79 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 3gtq s LYS 962 CO 0.15 -0.85 -0.17 0.12 -0.36 0.00 0.00 175.35 174.23 3gtq s PHE 963 N 3.20 1.56 -0.02 4.03 5.36 -0.41 -3.52 117.98 128.18 3gtq s PHE 963 Ca 0.34 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 3gtq s PHE 963 Cb -0.13 -1.01 0.02 0.00 -0.34 0.00 0.00 43.02 41.56 3gtq s PHE 963 CO 0.17 -0.05 0.01 0.08 -1.46 0.00 0.00 175.22 173.96 3gtq s VAL 964 N -0.32 0.09 -0.40 3.12 1.01 -0.92 -1.09 120.40 121.88 3gtq s VAL 964 Ca 0.05 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.13 3gtq s VAL 964 Cb -0.07 -0.16 0.12 0.00 0.00 0.00 0.00 36.38 36.26 3gtq s VAL 964 CO -0.00 0.10 0.17 -0.54 0.00 0.00 0.00 175.10 174.82 3gtq s LYS 965 N 0.74 1.27 -0.40 2.72 1.02 -0.94 -2.07 119.74 122.08 3gtq s LYS 965 Ca -0.07 -1.83 -0.18 0.00 0.02 0.00 0.00 55.97 53.91 3gtq s LYS 965 Cb -0.10 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3gtq s LYS 965 CO -0.02 -1.07 0.52 0.08 -0.92 0.00 0.00 175.35 173.94 3gtq s VAL 966 N 0.69 4.99 0.35 3.17 1.01 0.35 -3.26 120.40 127.70 3gtq s VAL 966 Ca 0.14 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3gtq s VAL 966 Cb -0.22 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 3gtq s VAL 966 CO -0.08 -0.38 0.49 0.00 0.00 0.00 0.00 175.10 175.13 3gtq s ARG 967 N 2.41 3.12 0.18 2.72 1.70 -1.12 0.54 118.95 128.50 3gtq s ARG 967 Ca 0.17 -0.94 0.04 0.00 -0.47 0.00 0.00 55.73 54.54 3gtq s ARG 967 Cb -0.16 -2.79 -0.05 0.00 -0.57 0.00 0.00 34.95 31.39 3gtq s ARG 967 CO 0.15 0.03 -0.07 0.08 -1.08 0.00 0.00 175.30 174.41 3gtq s VAL 968 N -2.22 1.18 -0.03 4.99 1.01 -0.89 -3.30 120.40 121.15 3gtq s VAL 968 Ca 0.45 -2.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.36 3gtq s VAL 968 Cb -0.10 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.28 3gtq s VAL 968 CO 0.32 -0.59 0.02 -0.60 0.00 0.00 0.00 175.10 174.24 3gtq s ARG 969 N -3.78 0.18 0.08 2.72 3.00 -0.62 -1.88 118.95 118.66 3gtq s ARG 969 Ca 0.21 0.16 0.09 0.00 -1.00 0.00 0.00 55.73 55.18 3gtq s ARG 969 Cb 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 34.95 34.47 3gtq s ARG 969 CO 0.04 -0.19 -0.21 0.99 0.00 0.00 0.00 175.30 175.93 3gtq s THR 970 N 1.31 2.62 -0.00 4.11 2.01 0.19 -0.89 115.64 124.98 3gtq s THR 970 Ca -0.06 -1.41 -0.23 0.00 0.31 0.00 0.00 61.69 60.30 3gtq s THR 970 Cb -0.13 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 3gtq s THR 970 CO -0.03 0.23 0.68 -0.89 -0.69 0.00 0.00 174.62 173.92 3gtq s THR 971 N -1.00 4.89 -0.14 -0.82 2.01 -1.26 0.15 115.64 119.47 3gtq s THR 971 Ca 0.15 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.59 3gtq s THR 971 Cb -0.10 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3gtq s THR 971 CO 0.06 0.35 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.66 3gtq s LYS 972 N 0.13 3.29 -0.12 4.92 1.02 0.81 -4.90 119.74 124.89 3gtq s LYS 972 Ca 0.35 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3gtq s LYS 972 Cb -0.19 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3gtq s LYS 972 CO 0.19 0.13 -0.04 0.42 -0.92 0.00 0.00 175.35 175.14 3gtq s ILE 973 N 0.54 3.92 -0.80 2.17 1.01 -1.26 -2.28 121.20 124.50 3gtq s ILE 973 Ca -0.10 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 3gtq s ILE 973 Cb -0.16 -2.68 -0.18 0.00 0.01 0.00 0.00 42.46 39.45 3gtq s ILE 973 CO 0.04 0.54 2.39 -2.65 0.00 0.00 0.00 174.94 175.26 3gtq n PRO 974 N 2.96 0.45 0.00 2.79 -0.02 -1.26 -4.85 135.00 135.07 3gtq n PRO 974 Ca -0.18 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 3gtq n PRO 974 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3gtq n PRO 974 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gtq n GLN 975 N 8.01 0.00 0.00 -0.52 7.27 -1.26 -5.03 117.38 125.85 3gtq n GLN 975 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.60 3gtq n GLN 975 Cb 0.33 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.98 3gtq n GLN 975 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3gtq n ILE 976 N 0.00 0.00 -1.27 1.69 3.06 -1.26 -4.85 119.36 116.73 3gtq n ILE 976 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3gtq n ILE 976 Cb 0.00 0.27 0.00 0.00 0.54 0.00 0.00 39.64 40.45 3gtq n ILE 976 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3gtq n GLY 977 N 0.00 -1.99 3.73 4.50 0.00 -1.26 -4.20 105.19 105.98 3gtq n GLY 977 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gtq n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtq s ASP 978 N -0.12 6.83 0.40 1.61 1.01 -1.26 -3.87 116.67 121.27 3gtq s ASP 978 Ca 0.00 2.43 -0.25 0.00 0.71 0.00 0.00 52.55 55.44 3gtq s ASP 978 Cb 0.00 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 3gtq s ASP 978 CO 0.00 -0.60 1.14 -0.75 0.21 0.00 0.00 175.17 175.18 3gtq s LYS 979 N 0.23 4.08 0.32 8.23 2.20 -0.90 -3.27 119.74 130.64 3gtq s LYS 979 Ca 0.60 1.77 0.05 0.00 -0.36 0.00 0.00 55.97 58.03 3gtq s LYS 979 Cb -0.38 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 3gtq s LYS 979 CO 0.36 -0.27 0.17 1.19 -0.36 0.00 0.00 175.35 176.44 3gtq n PHE 980 N 0.07 -0.22 -3.50 4.03 3.01 0.02 -3.42 117.46 117.45 3gtq n PHE 980 Ca 0.04 -2.31 -0.09 0.00 1.01 0.00 0.00 57.45 56.11 3gtq n PHE 980 Cb 0.47 0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 40.02 3gtq n PHE 980 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gtq s ALA 981 N -3.03 -1.80 0.44 4.37 0.00 0.11 -2.15 121.76 119.70 3gtq s ALA 981 Ca 0.25 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3gtq s ALA 981 Cb 0.01 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.53 3gtq s ALA 981 CO 0.17 -0.67 0.00 0.43 0.00 0.00 0.00 175.76 175.69 3gtq n SER 982 N -0.19 0.00 -0.55 0.00 7.64 -1.24 0.08 113.62 119.37 3gtq n SER 982 Ca -0.10 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.84 3gtq n SER 982 Cb 0.62 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.92 3gtq n SER 982 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gtq n ARG 983 N 0.00 1.64 -2.52 1.43 1.74 -1.25 -4.39 116.66 113.30 3gtq n ARG 983 Ca 0.00 -1.59 -0.09 0.00 -0.77 0.00 0.00 57.85 55.40 3gtq n ARG 983 Cb 0.00 -1.24 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3gtq n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gtq n HIS 984 N 0.59 1.84 -2.08 -1.55 8.25 -1.26 -4.78 115.22 116.24 3gtq n HIS 984 Ca 0.09 -2.17 -0.05 0.00 -0.26 0.00 0.00 57.72 55.33 3gtq n HIS 984 Cb 0.35 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 3gtq n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtq n GLY 985 N -0.64 0.18 2.71 -1.41 0.00 -1.26 -4.69 105.19 100.08 3gtq n GLY 985 Ca 0.21 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3gtq n GLY 985 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtq n GLN 986 N -1.46 3.65 -1.69 1.61 1.13 -1.26 -4.97 117.38 114.39 3gtq n GLN 986 Ca -0.06 -3.61 -0.43 0.00 -1.94 0.00 0.00 57.00 50.96 3gtq n GLN 986 Cb 0.54 -2.34 -0.03 0.00 0.11 0.00 0.00 30.24 28.51 3gtq n GLN 986 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3gtq n LYS 987 N 0.13 2.68 -4.20 -1.09 2.85 -1.26 -3.61 118.16 113.66 3gtq n LYS 987 Ca 0.52 0.97 -0.12 0.00 -1.05 0.00 0.00 58.31 58.64 3gtq n LYS 987 Cb 0.30 -2.85 -0.10 0.00 -0.65 0.00 0.00 35.03 31.73 3gtq n LYS 987 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gtq s GLY 988 N 2.64 1.23 0.07 2.58 0.00 -0.91 -4.84 107.32 108.08 3gtq s GLY 988 Ca 0.82 -1.60 0.09 0.00 0.00 0.00 0.00 44.72 44.04 3gtq s GLY 988 CO 0.38 -1.43 -0.26 -1.08 0.00 0.00 0.00 173.10 170.72 3gtq s THR 989 N -3.97 2.09 0.25 0.90 -1.32 -1.24 -0.80 115.64 111.55 3gtq s THR 989 Ca 0.29 -1.46 -0.31 0.00 -1.21 0.00 0.00 61.69 59.00 3gtq s THR 989 Cb 0.07 -1.81 -0.13 0.00 -1.51 0.00 0.00 72.50 69.12 3gtq s THR 989 CO 0.06 0.27 1.45 -0.38 -2.21 0.00 0.00 174.62 173.81 3gtq n ILE 990 N 1.56 0.91 -0.01 5.08 5.41 -1.20 -0.05 119.36 131.06 3gtq n ILE 990 Ca -0.17 -0.23 0.01 0.00 1.00 0.00 0.00 62.75 63.36 3gtq n ILE 990 Cb 0.52 -1.57 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 3gtq n ILE 990 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtq n GLY 991 N 2.23 -0.19 3.48 7.39 0.00 0.10 -4.07 105.19 114.13 3gtq n GLY 991 Ca 0.11 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3gtq n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gtq s ILE 992 N -2.25 0.01 -0.22 -0.61 1.10 -1.22 -5.03 121.20 112.99 3gtq s ILE 992 Ca -0.02 -0.07 -0.02 0.00 -0.51 0.00 0.00 60.65 60.04 3gtq s ILE 992 Cb 0.02 -0.94 0.01 0.00 0.15 0.00 0.00 42.46 41.71 3gtq s ILE 992 CO 0.17 -0.04 -0.09 0.28 -2.11 0.00 0.00 174.94 173.15 3gtq s THR 993 N -1.14 2.85 0.01 4.00 -1.32 -1.26 -2.03 115.64 116.76 3gtq s THR 993 Ca -0.11 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.60 3gtq s THR 993 Cb -0.01 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 3gtq s THR 993 CO 0.09 0.38 -0.01 -0.31 -2.21 0.00 0.00 174.62 172.55 3gtq s TYR 994 N 1.38 3.04 0.79 9.09 4.12 -0.93 -4.79 117.35 130.04 3gtq s TYR 994 Ca 0.04 0.05 -0.11 0.00 0.02 0.00 0.00 57.07 57.06 3gtq s TYR 994 Cb -0.15 -1.64 0.06 0.00 -1.52 0.00 0.00 41.96 38.71 3gtq s TYR 994 CO -0.06 0.45 1.09 0.50 0.02 0.00 0.00 175.55 177.55 3gtq s ARG 995 N -1.65 2.19 0.64 -0.62 6.06 -1.26 0.39 118.95 124.70 3gtq s ARG 995 Ca 0.20 0.75 0.35 0.00 -2.50 0.00 0.00 55.73 54.53 3gtq s ARG 995 Cb -0.11 -1.92 1.92 0.00 0.06 0.00 0.00 34.95 34.89 3gtq s ARG 995 CO 0.11 -1.57 2.13 -0.09 -2.50 0.00 0.00 175.30 173.38 3gtq h ARG 996 N -1.06 0.00 0.00 5.12 2.43 -1.93 -2.87 114.38 116.08 3gtq h ARG 996 Ca -0.46 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 3gtq h ARG 996 Cb 1.26 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.76 3gtq h ARG 996 CO 0.58 0.00 -1.63 0.93 -1.51 0.00 0.00 179.97 178.34 3gtq h GLU 997 N 0.00 0.00 -0.00 0.20 3.07 -1.94 -3.31 114.58 112.59 3gtq h GLU 997 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3gtq h GLU 997 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3gtq h GLU 997 CO -0.00 0.51 -0.35 -0.25 -1.40 0.00 0.00 179.01 177.52 3gtq n ASP 998 N -3.06 0.72 -4.78 1.42 8.00 -1.10 -4.39 116.55 113.37 3gtq n ASP 998 Ca -0.15 -0.54 -0.36 0.00 0.71 0.00 0.00 54.79 54.45 3gtq n ASP 998 Cb 1.03 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 42.26 3gtq n ASP 998 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3gtq s MET 999 N -2.74 3.85 0.64 -1.24 1.75 -1.14 -4.11 119.30 116.31 3gtq s MET 999 Ca 0.18 1.63 -0.14 0.00 -1.25 0.00 0.00 55.69 56.10 3gtq s MET 999 Cb 0.18 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 3gtq s MET 999 CO 0.60 -0.44 1.07 -1.25 -0.65 0.00 0.00 175.02 174.35 3gtq s PRO 1000N -2.76 3.08 -0.12 4.11 0.04 -1.26 -3.81 135.00 134.28 3gtq s PRO 1000Ca 0.63 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 3gtq s PRO 1000Cb -0.25 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3gtq s PRO 1000CO 0.30 -1.00 0.38 -0.59 0.04 0.00 0.00 177.00 176.13 3gtq s PHE 1001N -2.56 -0.39 0.75 0.56 -0.12 -0.91 -4.06 117.98 111.25 3gtq s PHE 1001Ca 0.63 0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 58.31 3gtq s PHE 1001Cb -0.17 0.14 0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3gtq s PHE 1001CO 0.42 -0.24 1.08 -0.08 -0.05 0.00 0.00 175.22 176.35 3gtq s THR 1002N -0.08 3.57 -1.07 -4.49 -1.32 -0.94 -1.48 115.64 109.83 3gtq s THR 1002Ca -0.02 0.51 0.10 0.00 -1.21 0.00 0.00 61.69 61.06 3gtq s THR 1002Cb -0.03 -3.24 0.09 0.00 -1.51 0.00 0.00 72.50 67.81 3gtq s THR 1002CO 0.01 -0.67 1.29 0.00 -2.21 0.00 0.00 174.62 173.04 3gtq n ALA 1003N -3.29 1.47 0.56 11.08 0.00 -1.25 0.80 120.51 129.88 3gtq n ALA 1003Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3gtq n ALA 1003Cb 0.55 -1.15 0.27 0.00 0.00 0.00 0.00 19.45 19.11 3gtq n ALA 1003CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gtq n GLU 1004N -1.46 2.21 -0.40 0.00 1.02 -1.26 -4.97 120.64 115.77 3gtq n GLU 1004Ca 0.03 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.32 3gtq n GLU 1004Cb 0.11 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3gtq n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtq n GLY 1005N 1.36 0.90 3.67 0.62 0.00 0.24 -5.02 105.19 106.96 3gtq n GLY 1005Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gtq n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtq s ILE 1006N -2.91 3.59 0.41 -0.61 -1.09 -1.25 -4.77 121.20 114.57 3gtq s ILE 1006Ca 0.00 0.85 -0.14 0.00 -2.23 0.00 0.00 60.65 59.13 3gtq s ILE 1006Cb 0.00 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 37.26 3gtq s ILE 1006CO 0.00 -0.05 0.82 -0.69 -1.23 0.00 0.00 174.94 173.80 3gtq s VAL 1007N 3.36 4.67 -0.01 2.92 1.01 -1.26 -2.22 120.40 128.87 3gtq s VAL 1007Ca 0.69 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 3gtq s VAL 1007Cb -0.33 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3gtq s VAL 1007CO 0.28 -0.46 0.41 -2.16 0.00 0.00 0.00 175.10 173.17 3gtq s PRO 1008N -3.62 3.94 0.00 2.72 0.04 -1.26 -4.96 135.00 131.86 3gtq s PRO 1008Ca 0.54 0.41 0.11 0.00 0.04 0.00 0.00 61.00 62.10 3gtq s PRO 1008Cb -0.10 -3.23 0.55 0.00 0.04 0.00 0.00 34.50 31.76 3gtq s PRO 1008CO 0.26 0.66 1.23 -0.25 0.04 0.00 0.00 177.00 178.94 3gtq n ASP 1009N 1.93 0.00 -3.37 6.66 8.00 0.12 -4.30 116.55 125.59 3gtq n ASP 1009Ca -0.14 0.09 0.03 0.00 0.71 0.00 0.00 54.79 55.48 3gtq n ASP 1009Cb 0.52 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 3gtq n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gtq s LEU 1010N -2.52 -0.18 -0.35 0.64 2.96 -1.17 -2.95 118.68 115.11 3gtq s LEU 1010Ca 0.11 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3gtq s LEU 1010Cb 0.07 1.22 0.09 0.00 0.50 0.00 0.00 46.19 48.07 3gtq s LEU 1010CO 0.16 -0.04 0.09 -0.63 -1.32 0.00 0.00 176.35 174.62 3gtq s ILE 1011N 1.80 2.90 0.17 6.68 1.09 0.10 0.12 121.20 134.06 3gtq s ILE 1011Ca -0.03 -1.91 -0.15 0.00 -1.10 0.00 0.00 60.65 57.46 3gtq s ILE 1011Cb -0.02 -2.91 -0.07 0.00 -1.06 0.00 0.00 42.46 38.39 3gtq s ILE 1011CO -0.15 -0.47 0.59 0.27 -0.10 0.00 0.00 174.94 175.09 3gtq s ILE 1012N 1.11 4.80 -0.18 2.92 -4.36 -0.01 -2.27 121.20 123.21 3gtq s ILE 1012Ca 0.04 0.90 -0.14 0.00 -0.26 0.00 0.00 60.65 61.19 3gtq s ILE 1012Cb -0.21 -3.75 -0.05 0.00 1.25 0.00 0.00 42.46 39.71 3gtq s ILE 1012CO -0.04 0.21 0.28 0.21 0.24 0.00 0.00 174.94 175.84 3gtq s ASN 1013N -1.76 6.38 0.00 4.36 2.47 -1.26 -1.11 114.94 124.03 3gtq s ASN 1013Ca 0.40 0.45 0.00 0.00 0.42 0.00 0.00 52.86 54.12 3gtq s ASN 1013Cb -0.15 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 3gtq s ASN 1013CO 0.20 0.07 0.44 -0.81 -3.72 0.00 0.00 177.10 173.28 3gtq n PRO 1014N 3.80 0.56 0.19 0.43 -0.04 -1.26 -1.51 135.00 137.17 3gtq n PRO 1014Ca -0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3gtq n PRO 1014Cb 0.52 -1.12 0.18 0.00 -0.04 0.00 0.00 33.50 33.03 3gtq n PRO 1014CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gtq h HIS 1015N 0.19 0.00 0.00 0.54 3.86 -1.95 -3.32 115.15 114.46 3gtq h HIS 1015Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gtq h HIS 1015Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gtq h HIS 1015CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 3gtq h ALA 1016N 2.07 1.00 0.18 2.45 0.00 -1.67 -3.37 119.26 119.91 3gtq h ALA 1016Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gtq h ALA 1016Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gtq h ALA 1016CO 0.00 0.00 -0.09 0.82 0.00 0.00 0.00 179.25 179.98 3gtq h ILE 1017N 0.00 0.90 -0.01 0.00 1.08 -1.80 -3.40 117.51 114.28 3gtq h ILE 1017Ca 0.00 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3gtq h ILE 1017Cb 0.88 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 3gtq h ILE 1017CO 0.00 0.19 -0.33 -0.81 -0.69 0.00 0.00 178.15 176.51 3gtq n PRO 1018N -4.99 0.80 -0.36 2.37 -0.05 -1.26 -3.11 135.00 128.40 3gtq n PRO 1018Ca -0.09 -0.51 0.12 0.00 -0.05 0.00 0.00 63.50 62.97 3gtq n PRO 1018Cb 0.26 -1.49 0.32 0.00 -0.05 0.00 0.00 33.50 32.54 3gtq n PRO 1018CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3gtq n SER 1019N -0.65 3.91 -0.69 3.54 3.41 -1.26 -4.20 113.62 117.67 3gtq n SER 1019Ca 0.11 -2.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.73 3gtq n SER 1019Cb 0.36 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3gtq n SER 1019CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3gtq n ARG 1020N 1.65 0.00 -1.01 4.33 1.85 -1.23 -5.03 116.66 117.21 3gtq n ARG 1020Ca 0.24 -1.11 -0.05 0.00 -1.00 0.00 0.00 57.85 55.94 3gtq n ARG 1020Cb 0.62 -0.35 -0.02 0.00 -1.05 0.00 0.00 32.46 31.66 3gtq n ARG 1020CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3gtq n MET 1021N 0.09 -1.83 -2.32 2.89 2.81 -1.18 -4.69 117.12 112.90 3gtq n MET 1021Ca 0.01 0.58 -0.35 0.00 -1.81 0.00 0.00 57.70 56.12 3gtq n MET 1021Cb 0.77 -4.77 -0.03 0.00 -0.71 0.00 0.00 33.22 28.47 3gtq n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3gtq s THR 1022N -1.28 3.82 0.07 2.03 -1.32 -1.25 -4.25 115.64 113.46 3gtq s THR 1022Ca 0.00 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.07 3gtq s THR 1022Cb 0.00 -4.88 -0.27 0.00 -1.51 0.00 0.00 72.50 65.85 3gtq s THR 1022CO 0.00 -1.50 1.11 0.58 -2.21 0.00 0.00 174.62 172.60 3gtq h VAL 1023N 5.90 1.46 0.03 5.08 2.07 -1.87 -3.28 116.25 125.63 3gtq h VAL 1023Ca 0.33 -3.08 0.02 0.00 0.82 0.00 0.00 66.70 64.78 3gtq h VAL 1023Cb 0.91 2.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 3gtq h VAL 1023CO 1.34 0.89 -0.48 0.00 0.02 0.00 0.00 177.57 179.33 3gtq h ALA 1024N 0.67 -0.92 -0.39 1.67 0.00 -1.84 -1.36 119.26 117.09 3gtq h ALA 1024Ca -0.13 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gtq h ALA 1024Cb 1.94 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 20.58 3gtq h ALA 1024CO 0.18 -1.06 -0.23 1.58 0.00 0.00 0.00 179.25 179.72 3gtq n HIS 1025N -5.16 -0.17 -0.08 0.00 -0.00 -1.24 0.28 115.22 108.84 3gtq n HIS 1025Ca -0.07 0.49 -0.07 0.00 -0.00 0.00 0.00 57.72 58.07 3gtq n HIS 1025Cb 0.36 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 3gtq n HIS 1025CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3gtq h LEU 1026N 0.00 -0.08 0.63 0.27 3.38 -1.61 -2.63 115.31 115.26 3gtq h LEU 1026Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3gtq h LEU 1026Cb 0.16 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3gtq h LEU 1026CO -0.37 -0.01 -0.51 0.40 0.09 0.00 0.00 178.44 178.05 3gtq h ILE 1027N 0.11 0.00 -0.62 1.22 2.04 0.51 -1.91 117.51 118.86 3gtq h ILE 1027Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 3gtq h ILE 1027Cb 0.18 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.16 3gtq h ILE 1027CO -0.23 0.00 -0.22 1.21 0.00 0.00 0.00 178.15 178.91 3gtq n GLU 1028N -5.58 -0.13 -0.17 2.37 2.13 0.18 0.98 120.64 120.43 3gtq n GLU 1028Ca -0.13 0.95 -0.02 0.00 0.66 0.00 0.00 57.16 58.63 3gtq n GLU 1028Cb 0.48 -1.42 0.07 0.00 0.27 0.00 0.00 31.44 30.84 3gtq n GLU 1028CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtq h LEU 1030N 0.14 0.60 -0.01 0.00 5.85 0.10 -2.23 115.31 119.76 3gtq h LEU 1030Ca 0.26 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gtq h LEU 1030Cb 0.40 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3gtq h LEU 1030CO -0.42 0.96 -0.02 0.25 -0.34 0.00 0.00 178.44 178.88 3gtq h LEU 1031N 0.46 0.03 -0.48 2.25 5.85 -0.72 -3.05 115.31 119.65 3gtq h LEU 1031Ca 0.03 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.33 3gtq h LEU 1031Cb 0.94 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 3gtq h LEU 1031CO 0.08 0.54 -0.29 0.28 -0.34 0.00 0.00 178.44 178.72 3gtq h SER 1032N -0.47 -0.98 -0.56 1.25 0.02 -0.52 0.45 113.55 112.74 3gtq h SER 1032Ca 0.00 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 3gtq h SER 1032Cb 0.53 0.49 -0.10 0.00 0.14 0.00 0.00 62.40 63.46 3gtq h SER 1032CO 0.00 -0.29 -0.42 0.50 -1.14 0.00 0.00 176.83 175.48 3gtq h LYS 1033N -0.18 -0.23 0.00 3.45 3.64 -1.46 1.01 116.57 122.81 3gtq h LYS 1033Ca 0.21 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3gtq h LYS 1033Cb 0.52 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3gtq h LYS 1033CO -0.58 -0.15 -0.14 0.28 -2.27 0.00 0.00 179.45 176.59 3gtq h VAL 1034N -0.23 0.92 0.02 2.00 2.07 -0.50 -1.36 116.25 119.16 3gtq h VAL 1034Ca 0.18 -0.51 -0.24 0.00 0.82 0.00 0.00 66.70 66.95 3gtq h VAL 1034Cb 0.56 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3gtq h VAL 1034CO -0.67 0.14 -0.96 0.00 0.02 0.00 0.00 177.57 176.10 3gtq h ALA 1035N 1.86 0.09 0.00 1.67 0.00 0.43 0.28 119.26 123.59 3gtq h ALA 1035Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3gtq h ALA 1035Cb 0.28 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gtq h ALA 1035CO 0.02 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.71 3gtq h ALA 1036N 0.36 1.65 0.00 0.00 0.00 0.16 0.93 119.26 122.36 3gtq h ALA 1036Ca -0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3gtq h ALA 1036Cb 1.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3gtq h ALA 1036CO 0.19 0.19 -0.82 -0.07 0.00 0.00 0.00 179.25 178.74 3gtq h LEU 1037N 0.00 0.00 0.00 0.00 3.38 -1.27 -3.36 115.31 114.06 3gtq h LEU 1037Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gtq h LEU 1037Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3gtq h LEU 1037CO 0.02 1.10 0.00 -1.54 0.09 0.00 0.00 178.44 178.11 3gtq n SER 1038N -4.54 0.00 -3.35 -0.43 3.41 0.98 -4.89 113.62 104.81 3gtq n SER 1038Ca -0.19 0.20 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 3gtq n SER 1038Cb 0.46 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3gtq n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtq n GLY 1039N -0.07 -1.14 3.29 5.00 0.00 0.24 -5.00 105.19 107.51 3gtq n GLY 1039Ca 0.06 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 3gtq n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtq s ASN 1040N -3.33 0.11 0.03 1.61 0.01 -0.72 -5.05 114.94 107.59 3gtq s ASN 1040Ca 0.38 -1.24 -0.30 0.00 -0.71 0.00 0.00 52.86 50.99 3gtq s ASN 1040Cb -0.08 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 3gtq s ASN 1040CO 0.78 -0.90 1.24 -0.70 -1.51 0.00 0.00 177.10 176.01 3gtq s GLU 1041N -4.11 4.38 -0.09 -0.60 2.56 -1.26 -4.72 118.70 114.87 3gtq s GLU 1041Ca 0.32 1.80 -0.30 0.00 0.00 0.00 0.00 54.97 56.80 3gtq s GLU 1041Cb 0.05 -3.42 -0.02 0.00 2.00 0.00 0.00 34.13 32.74 3gtq s GLU 1041CO 0.10 -0.36 1.11 0.20 -0.56 0.00 0.00 175.26 175.75 3gtq s GLY 1042N 1.27 2.16 -0.68 -1.50 0.00 -0.06 -4.95 107.32 103.55 3gtq s GLY 1042Ca 0.59 0.49 -0.17 0.00 0.00 0.00 0.00 44.72 45.63 3gtq s GLY 1042CO 0.27 2.10 0.72 -0.35 0.00 0.00 0.00 173.10 175.85 3gtq s ASP 1043N 1.33 6.40 0.00 1.64 2.15 -1.26 -0.84 116.67 126.08 3gtq s ASP 1043Ca 0.52 -1.93 0.17 0.00 0.43 0.00 0.00 52.55 51.73 3gtq s ASP 1043Cb -0.21 -2.27 0.29 0.00 -0.30 0.00 0.00 42.92 40.43 3gtq s ASP 1043CO 0.19 -0.90 1.20 0.00 -0.17 0.00 0.00 175.17 175.49 3gtq n ALA 1044N 5.46 2.38 -1.47 3.66 0.00 -0.62 -4.97 120.51 124.95 3gtq n ALA 1044Ca -0.00 -0.91 -0.48 0.00 0.00 0.00 0.00 53.44 52.05 3gtq n ALA 1044Cb 0.44 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 3gtq n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gtq n SER 1045N 1.00 -0.32 -0.00 0.00 7.64 -1.24 -1.35 113.62 119.34 3gtq n SER 1045Ca 0.14 1.15 -0.00 0.00 1.01 0.00 0.00 58.87 61.16 3gtq n SER 1045Cb 0.47 -1.06 -0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3gtq n SER 1045CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3gtq h PRO 1046N 1.54 -0.01 -4.03 1.43 0.11 -1.95 -3.39 132.00 125.69 3gtq h PRO 1046Ca -0.33 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.02 3gtq h PRO 1046Cb 1.41 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.25 3gtq h PRO 1046CO 0.59 -0.01 -0.19 -0.06 -0.21 0.00 0.00 178.00 178.12 3gtq s PHE 1047N -3.07 3.45 0.24 0.65 0.40 -1.26 -4.70 117.98 113.69 3gtq s PHE 1047Ca -0.00 -1.76 -0.01 0.00 -0.60 0.00 0.00 56.93 54.56 3gtq s PHE 1047Cb 0.00 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.83 3gtq s PHE 1047CO 0.02 -0.99 0.23 0.95 0.70 0.00 0.00 175.22 176.12 3gtq s THR 1048N 1.01 0.00 -0.45 0.64 -4.23 -1.26 -5.01 115.64 106.34 3gtq s THR 1048Ca 0.09 -1.89 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3gtq s THR 1048Cb -0.23 -2.47 0.19 0.00 1.34 0.00 0.00 72.50 71.34 3gtq s THR 1048CO -0.02 0.00 2.31 0.47 -0.54 0.00 0.00 174.62 176.84 3gtq n ASP 1049N -0.58 6.69 -4.41 3.99 8.00 -1.26 -4.86 116.55 124.12 3gtq n ASP 1049Ca 0.02 -3.26 -0.40 0.00 0.71 0.00 0.00 54.79 51.87 3gtq n ASP 1049Cb 0.64 -1.12 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 3gtq n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gtq s ILE 1050N -2.76 4.68 0.16 0.53 1.09 -1.26 -5.02 121.20 118.61 3gtq s ILE 1050Ca 0.47 -0.66 0.08 0.00 -1.10 0.00 0.00 60.65 59.44 3gtq s ILE 1050Cb 0.34 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.18 3gtq s ILE 1050CO -0.11 -0.13 -0.08 -0.89 -0.10 0.00 0.00 174.94 173.63 3gtq s THR 1051N 1.59 3.35 0.30 2.92 2.01 -1.26 -5.00 115.64 119.55 3gtq s THR 1051Ca 0.03 -1.50 0.10 0.00 0.31 0.00 0.00 61.69 60.64 3gtq s THR 1051Cb -0.18 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3gtq s THR 1051CO 0.07 -0.04 1.67 0.58 -0.69 0.00 0.00 174.62 176.21 3gtq h VAL 1052N 2.84 1.38 0.00 3.82 2.07 -1.98 0.18 116.25 124.56 3gtq h VAL 1052Ca -0.47 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.12 3gtq h VAL 1052Cb 1.19 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3gtq h VAL 1052CO 0.54 0.53 -0.46 -0.33 0.02 0.00 0.00 177.57 177.87 3gtq h GLU 1053N 0.04 0.00 0.09 1.57 4.39 -1.94 -0.96 114.58 117.77 3gtq h GLU 1053Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3gtq h GLU 1053Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3gtq h GLU 1053CO 0.07 0.46 -0.05 0.78 -1.16 0.00 0.00 179.01 179.12 3gtq h GLY 1054N 2.52 -0.13 0.65 -3.84 0.00 -1.85 -3.24 103.07 97.18 3gtq h GLY 1054Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.40 3gtq h GLY 1054CO 0.06 -0.05 -0.08 -2.22 0.00 0.00 0.00 176.54 174.25 3gtq h ILE 1055N -0.88 0.75 -0.58 2.60 1.08 -0.68 -3.09 117.51 116.73 3gtq h ILE 1055Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3gtq h ILE 1055Cb 0.57 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 3gtq h ILE 1055CO 0.02 0.00 0.35 0.28 -0.69 0.00 0.00 178.15 178.11 3gtq h SER 1056N -0.10 0.56 -0.45 1.72 0.02 -1.34 -1.69 113.55 112.26 3gtq h SER 1056Ca 0.07 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 3gtq h SER 1056Cb 0.20 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.53 3gtq h SER 1056CO -0.16 0.39 -0.17 0.11 -1.14 0.00 0.00 176.83 175.86 3gtq h LYS 1057N 0.68 -0.07 -0.79 3.45 1.57 -1.57 -1.96 116.57 117.88 3gtq h LYS 1057Ca 0.23 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.20 3gtq h LYS 1057Cb 0.04 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.24 3gtq h LYS 1057CO -0.11 -0.04 0.17 -0.07 -0.57 0.00 0.00 179.45 178.83 3gtq h LEU 1058N -0.07 -0.06 -1.17 2.94 3.38 -1.23 0.42 115.31 119.52 3gtq h LEU 1058Ca 0.22 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3gtq h LEU 1058Cb 0.40 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3gtq h LEU 1058CO -0.50 -0.10 0.00 0.00 0.09 0.00 0.00 178.44 177.93 3gtq n LEU 1059N -5.21 1.73 -0.04 1.67 -0.00 -0.87 -3.10 117.00 111.17 3gtq n LEU 1059Ca 0.16 -0.80 -0.11 0.00 -0.00 0.00 0.00 56.01 55.26 3gtq n LEU 1059Cb 0.53 -0.17 -0.10 0.00 -0.00 0.00 0.00 43.42 43.69 3gtq n LEU 1059CO 0.09 0.40 0.36 -0.09 -0.00 0.00 0.00 177.39 178.15 3gtq h ARG 1060N 2.09 -0.03 0.00 1.47 9.65 0.56 -3.00 114.38 125.12 3gtq h ARG 1060Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3gtq h ARG 1060Cb 0.47 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3gtq h ARG 1060CO 0.00 0.69 0.00 0.39 2.80 0.00 0.00 179.97 183.85 3gtq n GLU 1061N -4.70 0.04 0.03 0.20 1.02 -1.07 -2.02 120.64 114.14 3gtq n GLU 1061Ca -0.08 0.49 -0.22 0.00 -0.02 0.00 0.00 57.16 57.33 3gtq n GLU 1061Cb 0.35 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 3gtq n GLU 1061CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3gtq h HIS 1062N 0.00 0.54 0.00 -0.32 3.86 -1.65 -3.49 115.15 114.09 3gtq h HIS 1062Ca 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3gtq h HIS 1062Cb 0.05 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3gtq h HIS 1062CO 0.00 1.59 0.00 0.41 0.86 0.00 0.00 177.93 180.79 3gtq n GLY 1063N 1.78 0.37 2.74 2.45 0.00 -0.86 -5.11 105.19 106.56 3gtq n GLY 1063Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 3gtq n GLY 1063CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gtq n TYR 1064N 0.00 -1.58 -3.40 1.61 4.02 -1.14 -5.06 117.16 111.62 3gtq n TYR 1064Ca 0.00 -1.59 -0.38 0.00 -0.01 0.00 0.00 57.90 55.92 3gtq n TYR 1064Cb 0.00 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 38.90 3gtq n TYR 1064CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3gtq s GLN 1065N -3.72 4.23 0.00 -0.72 1.03 -1.26 -4.34 119.66 114.88 3gtq s GLN 1065Ca 0.31 0.24 0.00 0.00 0.04 0.00 0.00 55.36 55.95 3gtq s GLN 1065Cb -0.02 -3.49 0.00 0.00 0.03 0.00 0.00 33.01 29.52 3gtq s GLN 1065CO 0.20 0.06 0.00 -1.13 -2.54 0.00 0.00 175.29 171.88 3gtq n SER 1066N 4.11 0.00 -0.77 12.60 3.41 -1.26 -1.26 113.62 130.45 3gtq n SER 1066Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.53 3gtq n SER 1066Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3gtq n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtq n ARG 1067N 0.21 0.00 0.00 4.33 5.12 -1.26 -4.46 116.66 120.60 3gtq n ARG 1067Ca 0.00 -1.11 0.00 0.00 -1.93 0.00 0.00 57.85 54.81 3gtq n ARG 1067Cb 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 32.46 31.04 3gtq n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gtq n GLY 1068N 0.12 2.91 3.64 -0.13 0.00 -0.39 -4.98 105.19 106.37 3gtq n GLY 1068Ca -0.00 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.28 3gtq n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtq n PHE 1069N 0.00 1.81 -3.72 1.61 3.01 -1.25 -3.60 117.46 115.32 3gtq n PHE 1069Ca 0.00 0.55 -0.18 0.00 1.01 0.00 0.00 57.45 58.83 3gtq n PHE 1069Cb 0.00 -2.38 -0.17 0.00 -0.01 0.00 0.00 39.48 36.92 3gtq n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3gtq s GLU 1070N -0.69 -0.05 -0.08 -1.08 2.02 -0.02 -4.23 118.70 114.57 3gtq s GLU 1070Ca 0.67 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.65 3gtq s GLU 1070Cb -0.70 -0.39 -0.07 0.00 0.10 0.00 0.00 34.13 33.07 3gtq s GLU 1070CO 0.53 -0.25 2.01 0.08 0.02 0.00 0.00 175.26 177.65 3gtq s VAL 1071N 1.64 3.10 0.39 2.63 1.01 -1.26 -3.13 120.40 124.77 3gtq s VAL 1071Ca -0.02 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.15 3gtq s VAL 1071Cb -0.12 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3gtq s VAL 1071CO -0.03 -0.03 0.29 -0.04 0.00 0.00 0.00 175.10 175.29 3gtq s MET 1072N 5.11 2.50 -0.03 2.72 1.00 -1.26 -3.88 119.30 125.46 3gtq s MET 1072Ca 0.90 -1.54 0.05 0.00 0.00 0.00 0.00 55.69 55.11 3gtq s MET 1072Cb -0.37 -2.31 -0.01 0.00 0.00 0.00 0.00 34.83 32.14 3gtq s MET 1072CO 0.38 -0.08 -0.18 0.71 0.00 0.00 0.00 175.02 175.85 3gtq s TYR 1073N -2.45 1.76 0.83 -0.03 1.51 -0.55 -1.70 117.35 116.72 3gtq s TYR 1073Ca 0.44 -0.44 -0.14 0.00 -1.01 0.00 0.00 57.07 55.92 3gtq s TYR 1073Cb -0.03 -1.16 0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3gtq s TYR 1073CO 0.26 -0.12 0.80 -1.71 -1.11 0.00 0.00 175.55 173.68 3gtq n ASN 1074N 2.92 -0.44 0.00 2.29 5.15 -0.99 -2.13 115.26 122.06 3gtq n ASN 1074Ca -0.17 0.51 -0.15 0.00 -0.60 0.00 0.00 54.58 54.17 3gtq n ASN 1074Cb 0.53 -1.35 -0.14 0.00 -0.53 0.00 0.00 39.78 38.29 3gtq n ASN 1074CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3gtq h GLY 1075N -0.97 0.17 1.71 8.20 0.00 -1.71 -2.28 103.07 108.19 3gtq h GLY 1075Ca -0.45 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.24 3gtq h GLY 1075CO 0.42 0.38 -0.84 0.45 0.00 0.00 0.00 176.54 176.95 3gtq h HIS 1076N 0.04 0.38 0.00 5.60 3.86 -1.77 -3.42 115.15 119.84 3gtq h HIS 1076Ca -0.33 -0.20 -0.17 0.00 -1.16 0.00 0.00 60.37 58.51 3gtq h HIS 1076Cb 2.02 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 30.42 3gtq h HIS 1076CO 0.04 0.99 -1.41 2.41 0.86 0.00 0.00 177.93 180.82 3gtq n THR 1077N -3.72 1.08 -0.40 2.45 -1.04 -1.26 -5.00 114.28 106.39 3gtq n THR 1077Ca -0.04 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3gtq n THR 1077Cb 0.78 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3gtq n THR 1077CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gtq n GLY 1078N 2.10 0.71 3.77 3.41 0.00 -0.86 -5.03 105.19 109.29 3gtq n GLY 1078Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3gtq n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtq s LYS 1079N -0.60 4.35 0.72 1.61 2.20 -1.26 -4.78 119.74 121.97 3gtq s LYS 1079Ca 0.00 2.23 -0.16 0.00 -0.36 0.00 0.00 55.97 57.68 3gtq s LYS 1079Cb 0.00 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 3gtq s LYS 1079CO 0.00 -0.20 1.06 1.63 -0.36 0.00 0.00 175.35 177.48 3gtq n LYS 1080N 0.83 0.57 -2.95 4.03 5.02 -1.26 -2.35 118.16 122.06 3gtq n LYS 1080Ca 0.00 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 3gtq n LYS 1080Cb 0.42 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.07 3gtq n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtq s LEU 1081N -3.70 4.10 0.24 -0.35 1.43 -0.69 -4.74 118.68 114.97 3gtq s LEU 1081Ca 0.75 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 3gtq s LEU 1081Cb -0.34 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 42.83 3gtq s LEU 1081CO 0.48 -0.66 0.70 0.23 0.23 0.00 0.00 176.35 177.33 3gtq n MET 1082N 6.30 0.01 -3.65 1.70 2.81 -1.26 -4.28 117.12 118.74 3gtq n MET 1082Ca 0.03 0.35 -0.07 0.00 -1.81 0.00 0.00 57.70 56.21 3gtq n MET 1082Cb 0.48 -2.20 -0.07 0.00 -0.71 0.00 0.00 33.22 30.72 3gtq n MET 1082CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtq s ALA 1083N -2.74 -1.71 1.19 3.04 0.00 -1.26 -5.16 121.76 115.12 3gtq s ALA 1083Ca -0.00 2.20 -0.13 0.00 0.00 0.00 0.00 51.96 54.03 3gtq s ALA 1083Cb 0.00 -1.37 0.30 0.00 0.00 0.00 0.00 23.12 22.05 3gtq s ALA 1083CO 0.00 -0.45 1.02 -0.65 0.00 0.00 0.00 175.76 175.68 3gtq s GLN 1084N 1.80 -1.14 0.05 0.00 1.11 -1.26 -4.84 119.66 115.38 3gtq s GLN 1084Ca -0.09 0.82 0.04 0.00 0.01 0.00 0.00 55.36 56.14 3gtq s GLN 1084Cb -0.07 -1.53 -0.02 0.00 -1.01 0.00 0.00 33.01 30.38 3gtq s GLN 1084CO -0.18 -3.87 -0.12 0.42 0.01 0.00 0.00 175.29 171.55 3gtq s ILE 1085N -2.42 0.88 -0.03 1.08 1.01 -1.18 -4.93 121.20 115.61 3gtq s ILE 1085Ca 0.69 -1.11 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 3gtq s ILE 1085Cb -0.25 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3gtq s ILE 1085CO 0.65 -0.22 0.72 0.12 0.00 0.00 0.00 174.94 176.22 3gtq s PHE 1086N -1.17 3.63 0.03 3.97 5.36 -1.24 -0.84 117.98 127.72 3gtq s PHE 1086Ca -0.04 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.28 3gtq s PHE 1086Cb -0.09 -2.81 -0.02 0.00 -0.34 0.00 0.00 43.02 39.76 3gtq s PHE 1086CO 0.01 0.15 -0.08 0.12 -1.46 0.00 0.00 175.22 173.97 3gtq s PHE 1087N 0.52 0.66 0.00 10.12 5.36 -1.24 -2.06 117.98 131.34 3gtq s PHE 1087Ca 0.38 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 3gtq s PHE 1087Cb -0.19 -0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 3gtq s PHE 1087CO 0.20 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 3gtq n GLY 1088N 1.76 2.13 3.74 13.12 0.00 -1.05 -4.87 105.19 120.02 3gtq n GLY 1088Ca -0.21 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3gtq n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gtq s PRO 1089N -2.00 2.90 -0.30 1.61 0.04 -1.26 -0.24 135.00 135.75 3gtq s PRO 1089Ca 0.00 2.17 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 3gtq s PRO 1089Cb 0.00 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.64 3gtq s PRO 1089CO 0.00 -1.36 0.79 0.99 0.04 0.00 0.00 177.00 177.46 3gtq s THR 1090N -1.34 -0.71 0.07 1.26 2.01 -1.09 -4.33 115.64 111.52 3gtq s THR 1090Ca 0.76 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.43 3gtq s THR 1090Cb -0.39 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.07 3gtq s THR 1090CO 0.45 0.00 1.79 0.00 -0.69 0.00 0.00 174.62 176.17 3gtq n TYR 1091N 5.42 2.45 -4.32 4.92 9.36 -1.26 -3.82 117.16 129.91 3gtq n TYR 1091Ca -0.01 -0.02 -0.23 0.00 3.32 0.00 0.00 57.90 60.96 3gtq n TYR 1091Cb 0.53 -2.67 -0.13 0.00 -0.63 0.00 0.00 39.34 36.44 3gtq n TYR 1091CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3gtq s TYR 1092N 2.73 1.69 -0.08 2.98 1.51 -0.93 -3.92 117.35 121.33 3gtq s TYR 1092Ca 0.84 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.52 3gtq s TYR 1092Cb -0.59 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3gtq s TYR 1092CO 0.42 0.16 -0.17 -0.65 -1.11 0.00 0.00 175.55 174.19 3gtq s GLN 1093N -1.76 2.24 -0.46 -0.62 -0.21 0.11 -2.52 119.66 116.45 3gtq s GLN 1093Ca 0.05 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.61 3gtq s GLN 1093Cb -0.10 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.17 3gtq s GLN 1093CO 0.04 0.11 0.62 0.50 -2.12 0.00 0.00 175.29 174.44 3gtq s ARG 1094N 0.46 3.21 0.85 2.91 3.52 -1.26 -0.71 118.95 127.93 3gtq s ARG 1094Ca -0.15 -0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 3gtq s ARG 1094Cb -0.16 -4.00 0.18 0.00 -1.56 0.00 0.00 34.95 29.40 3gtq s ARG 1094CO 0.06 -1.08 1.17 -0.51 -0.81 0.00 0.00 175.30 174.13 3gtq s LEU 1095N 2.72 2.86 0.00 -0.88 1.43 -1.22 -0.70 118.68 122.89 3gtq s LEU 1095Ca 0.19 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3gtq s LEU 1095Cb -0.16 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3gtq s LEU 1095CO 0.16 -2.38 0.00 -1.14 0.23 0.00 0.00 176.35 173.22 3gtq n ARG 1096N -3.31 2.57 -3.29 1.70 0.63 -0.09 -4.65 116.66 110.22 3gtq n ARG 1096Ca 0.17 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.88 3gtq n ARG 1096Cb 0.60 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.53 3gtq n ARG 1096CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3gtq n HIS 1097N 0.00 -2.88 -4.34 -0.14 -0.00 -1.26 -4.04 115.22 102.56 3gtq n HIS 1097Ca 0.00 1.17 -0.33 0.00 -0.00 0.00 0.00 57.72 58.56 3gtq n HIS 1097Cb 0.00 -3.02 -0.09 0.00 -0.00 0.00 0.00 29.99 26.88 3gtq n HIS 1097CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3gtq s MET 1098N -3.02 2.77 0.27 -0.41 -1.94 -1.26 -2.12 119.30 113.59 3gtq s MET 1098Ca 0.22 -0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 53.56 3gtq s MET 1098Cb -0.04 -2.66 0.54 0.00 2.01 0.00 0.00 34.83 34.69 3gtq s MET 1098CO 0.83 0.63 1.60 -0.39 -0.01 0.00 0.00 175.02 177.69 3gtq h VAL 1099N 3.68 0.18 -0.01 -6.03 -1.51 -1.94 -2.38 116.25 108.24 3gtq h VAL 1099Ca -0.49 -0.02 -0.11 0.00 -1.23 0.00 0.00 66.70 64.85 3gtq h VAL 1099Cb 1.18 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 3gtq h VAL 1099CO 0.56 0.01 -0.50 0.44 -1.23 0.00 0.00 177.57 176.85 3gtq h ASP 1100N 0.05 0.02 0.00 4.19 3.32 -1.94 0.15 116.42 122.22 3gtq h ASP 1100Ca 0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3gtq h ASP 1100Cb 0.89 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gtq h ASP 1100CO -0.80 0.52 0.00 0.47 -1.72 0.00 0.00 179.24 177.70 3gtq n ASP 1101N -3.95 0.04 -0.02 6.45 8.00 -0.89 -3.73 116.55 122.44 3gtq n ASP 1101Ca -0.02 -1.56 -0.04 0.00 0.71 0.00 0.00 54.79 53.88 3gtq n ASP 1101Cb 0.52 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 3gtq n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtq n LYS 1102N -0.47 0.09 -1.60 -1.24 4.76 -0.03 -5.00 118.16 114.67 3gtq n LYS 1102Ca 0.00 0.04 -0.57 0.00 -2.87 0.00 0.00 58.31 54.90 3gtq n LYS 1102Cb 0.01 -0.71 -0.08 0.00 -1.84 0.00 0.00 35.03 32.41 3gtq n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gtq n ILE 1103N -3.10 0.22 -3.72 -0.18 2.08 -0.80 -4.93 119.36 108.93 3gtq n ILE 1103Ca -0.08 -0.09 -0.16 0.00 0.56 0.00 0.00 62.75 62.98 3gtq n ILE 1103Cb 0.56 -1.17 -0.16 0.00 -0.75 0.00 0.00 39.64 38.12 3gtq n ILE 1103CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3gtq s HIS 1104N 4.64 -0.06 0.20 1.39 5.65 -1.26 -5.04 115.29 120.81 3gtq s HIS 1104Ca 1.04 0.35 0.08 0.00 0.25 0.00 0.00 55.06 56.78 3gtq s HIS 1104Cb -1.11 -0.25 -0.04 0.00 -1.18 0.00 0.00 32.58 29.99 3gtq s HIS 1104CO 0.64 -0.17 -0.16 0.00 -0.65 0.00 0.00 174.74 174.40 3gtq s ALA 1105N 1.56 2.07 -0.19 1.58 0.00 -1.26 -5.13 121.76 120.38 3gtq s ALA 1105Ca -0.04 -1.61 -0.08 0.00 0.00 0.00 0.00 51.96 50.24 3gtq s ALA 1105Cb -0.12 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.94 3gtq s ALA 1105CO -0.04 0.15 0.42 0.50 0.00 0.00 0.00 175.76 176.79 3gtq s ARG 1106N -3.29 0.35 -0.56 0.00 3.52 -1.26 -4.95 118.95 112.76 3gtq s ARG 1106Ca 0.20 0.98 0.04 0.00 -0.13 0.00 0.00 55.73 56.83 3gtq s ARG 1106Cb -0.03 0.25 0.15 0.00 -1.56 0.00 0.00 34.95 33.75 3gtq s ARG 1106CO 0.07 -0.23 0.33 0.00 -0.81 0.00 0.00 175.30 174.67 3gtq s ALA 1107N 2.30 3.13 0.31 6.12 0.00 -1.26 -4.99 121.76 127.38 3gtq s ALA 1107Ca -0.04 -3.27 0.00 0.00 0.00 0.00 0.00 51.96 48.65 3gtq s ALA 1107Cb -0.11 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.93 3gtq s ALA 1107CO -0.13 -2.05 0.00 -2.13 0.00 0.00 0.00 175.76 171.45 3gtq n ARG 1108N 2.82 -1.81 -2.92 0.00 0.63 -1.26 -5.10 116.66 109.03 3gtq n ARG 1108Ca 0.12 1.42 0.00 0.00 -0.92 0.00 0.00 57.85 58.47 3gtq n ARG 1108Cb 0.34 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.12 3gtq n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtq n GLY 1109N -3.41 -0.40 3.69 5.14 0.00 -1.26 -5.09 105.19 103.86 3gtq n GLY 1109Ca -0.04 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3gtq n GLY 1109CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gtq s PRO 1110N -2.00 4.20 0.46 1.61 0.04 -1.26 -4.98 135.00 133.07 3gtq s PRO 1110Ca 0.00 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.37 3gtq s PRO 1110Cb 0.00 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3gtq s PRO 1110CO 0.00 -0.71 0.66 -1.64 0.04 0.00 0.00 177.00 175.35 3gtq s MET 1111N 2.48 2.94 0.74 4.56 -1.94 -1.26 -2.83 119.30 123.98 3gtq s MET 1111Ca 0.73 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 54.01 3gtq s MET 1111Cb -0.40 -2.59 0.12 0.00 2.01 0.00 0.00 34.83 33.98 3gtq s MET 1111CO 0.32 -0.33 1.03 1.14 -0.01 0.00 0.00 175.02 177.16 3gtq s GLN 1112N -4.54 1.67 -0.15 2.03 -2.07 0.10 -4.78 119.66 111.92 3gtq s GLN 1112Ca 0.50 -0.85 -0.26 0.00 -1.82 0.00 0.00 55.36 52.92 3gtq s GLN 1112Cb -0.10 -2.25 -0.25 0.00 -1.09 0.00 0.00 33.01 29.33 3gtq s GLN 1112CO 0.37 -1.50 0.63 0.28 -1.32 0.00 0.00 175.29 173.75 3gtq h VAL 1113N -0.65 1.54 -0.71 3.63 2.07 -1.99 -3.19 116.25 116.95 3gtq h VAL 1113Ca -0.39 -2.32 0.08 0.00 0.82 0.00 0.00 66.70 64.89 3gtq h VAL 1113Cb 1.27 3.08 -0.06 0.00 -1.52 0.00 0.00 31.29 34.05 3gtq h VAL 1113CO 0.44 0.54 0.38 0.25 0.02 0.00 0.00 177.57 179.20 3gtq h LEU 1114N -0.95 0.54 -1.99 2.57 7.12 -1.96 -3.26 115.31 117.37 3gtq h LEU 1114Ca -0.10 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.95 3gtq h LEU 1114Cb 1.13 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 3gtq h LEU 1114CO -0.04 0.33 -0.23 0.35 -0.13 0.00 0.00 178.44 178.71 3gtq n THR 1115N -4.81 0.41 -3.36 1.05 -2.24 -1.26 -5.02 114.28 99.05 3gtq n THR 1115Ca 0.10 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 3gtq n THR 1115Cb 0.23 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3gtq n THR 1115CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3gtq n ARG 1116N -0.29 -0.66 -4.30 -0.78 1.85 -1.20 -4.33 116.66 106.94 3gtq n ARG 1116Ca 0.03 -0.23 -0.24 0.00 -1.00 0.00 0.00 57.85 56.40 3gtq n ARG 1116Cb 0.59 0.16 -0.08 0.00 -1.05 0.00 0.00 32.46 32.08 3gtq n ARG 1116CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3gtq s GLN 1117N -4.23 2.20 0.61 2.89 -0.21 -1.26 -4.13 119.66 115.51 3gtq s GLN 1117Ca 0.04 -1.39 -0.17 0.00 0.02 0.00 0.00 55.36 53.86 3gtq s GLN 1117Cb -0.03 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 3gtq s GLN 1117CO 0.14 0.38 1.11 -1.25 -2.12 0.00 0.00 175.29 173.55 3gtq s PRO 1118N -3.42 3.09 0.08 2.91 0.04 -1.26 0.02 135.00 136.46 3gtq s PRO 1118Ca 0.30 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 3gtq s PRO 1118Cb -0.07 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3gtq s PRO 1118CO 0.18 -1.03 0.32 0.54 0.04 0.00 0.00 177.00 177.05 3gtq s VAL 1119N -2.15 5.24 1.09 -0.36 0.11 -1.13 -4.66 120.40 118.54 3gtq s VAL 1119Ca 0.68 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.66 3gtq s VAL 1119Cb -0.21 -3.61 0.24 0.00 -1.53 0.00 0.00 36.38 31.28 3gtq s VAL 1119CO 0.35 0.19 1.06 -0.70 -3.33 0.00 0.00 175.10 172.67 3gtq s GLU 1120N -2.26 -0.35 0.08 1.54 2.12 -1.26 -1.50 118.70 117.08 3gtq s GLU 1120Ca 0.35 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.70 3gtq s GLU 1120Cb -0.13 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.66 3gtq s GLU 1120CO 0.22 -3.39 0.00 0.41 -0.54 0.00 0.00 175.26 171.96 3gtq n GLY 1121N 0.55 -1.82 0.18 -1.50 0.00 -1.26 -4.37 105.19 96.97 3gtq n GLY 1121Ca 0.05 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.67 3gtq n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gtq n ARG 1122N -2.39 2.17 0.26 1.61 1.85 -1.26 -2.84 116.66 116.05 3gtq n ARG 1122Ca -0.00 -0.54 0.14 0.00 -1.00 0.00 0.00 57.85 56.44 3gtq n ARG 1122Cb 0.13 -1.02 0.65 0.00 -1.05 0.00 0.00 32.46 31.17 3gtq n ARG 1122CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3gtq h SER 1123N 0.89 0.00 -0.30 2.89 0.02 -1.97 -3.15 113.55 111.93 3gtq h SER 1123Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gtq h SER 1123Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3gtq h SER 1123CO 0.00 0.11 0.00 0.54 -1.14 0.00 0.00 176.83 176.34 3gtq n ARG 1124N -3.34 2.88 -2.97 3.45 3.00 -1.26 -4.90 116.66 113.52 3gtq n ARG 1124Ca -0.00 -2.05 -0.22 0.00 -0.01 0.00 0.00 57.85 55.56 3gtq n ARG 1124Cb 0.32 -1.28 0.02 0.00 0.00 0.00 0.00 32.46 31.52 3gtq n ARG 1124CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3gtq n ASP 1125N 0.32 -5.73 -3.15 0.55 2.03 -1.19 -4.77 116.55 104.61 3gtq n ASP 1125Ca 0.11 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.17 3gtq n ASP 1125Cb 0.44 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.18 3gtq n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtq n GLY 1126N -1.39 -2.59 3.21 0.27 0.00 -1.13 -4.49 105.19 99.06 3gtq n GLY 1126Ca -0.12 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 3gtq n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gtq s GLY 1127N -0.37 1.22 -0.16 -0.02 0.00 -0.56 -4.74 107.32 102.70 3gtq s GLY 1127Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 44.72 43.09 3gtq s GLY 1127CO 0.00 -1.33 0.08 1.08 0.00 0.00 0.00 173.10 172.92 3gtq s LEU 1128N -3.11 3.94 -0.14 0.66 1.43 -1.26 -4.67 118.68 115.53 3gtq s LEU 1128Ca 0.33 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 3gtq s LEU 1128Cb 0.07 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3gtq s LEU 1128CO 0.08 0.25 1.46 -0.60 0.23 0.00 0.00 176.35 177.77 3gtq s ARG 1129N -0.08 4.12 -0.60 1.70 3.52 -1.26 -4.91 118.95 121.44 3gtq s ARG 1129Ca 0.07 1.82 -0.02 0.00 -0.13 0.00 0.00 55.73 57.47 3gtq s ARG 1129Cb -0.12 -3.89 0.26 0.00 -1.56 0.00 0.00 34.95 29.64 3gtq s ARG 1129CO 0.01 -0.88 2.25 0.34 -0.81 0.00 0.00 175.30 176.21 3gtq n PHE 1130N 7.15 2.38 -0.91 5.12 7.35 -1.26 -5.01 117.46 132.28 3gtq n PHE 1130Ca 0.16 -2.31 -0.34 0.00 -0.76 0.00 0.00 57.45 54.20 3gtq n PHE 1130Cb 0.44 -1.27 0.03 0.00 0.35 0.00 0.00 39.48 39.04 3gtq n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gtq n GLY 1131N -0.06 -3.73 0.40 7.13 0.00 -1.26 -4.42 105.19 103.25 3gtq n GLY 1131Ca 0.50 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3gtq n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gtq h GLU 1132N -0.91 -0.01 -0.91 1.61 5.08 -2.00 -1.65 114.58 115.79 3gtq h GLU 1132Ca -0.39 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3gtq h GLU 1132Cb 1.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 3gtq h GLU 1132CO 0.20 -0.01 0.61 1.98 -1.00 0.00 0.00 179.01 180.79 3gtq h MET 1133N -0.01 0.34 -0.03 2.33 4.05 -2.01 0.31 114.93 119.92 3gtq h MET 1133Ca 0.27 -0.02 -0.24 0.00 -0.28 0.00 0.00 59.70 59.43 3gtq h MET 1133Cb 0.53 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.27 3gtq h MET 1133CO -0.96 0.22 -0.96 0.93 0.23 0.00 0.00 176.91 176.38 3gtq h GLU 1134N 0.35 0.61 -1.00 0.39 3.07 -1.57 -3.19 114.58 113.24 3gtq h GLU 1134Ca 0.47 -0.62 0.10 0.00 -0.50 0.00 0.00 59.36 58.81 3gtq h GLU 1134Cb 1.27 0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 29.27 3gtq h GLU 1134CO -0.16 1.23 0.64 -0.09 -1.40 0.00 0.00 179.01 179.23 3gtq h ARG 1135N 0.36 1.04 -0.48 2.33 2.43 -0.29 0.96 114.38 120.72 3gtq h ARG 1135Ca -0.10 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3gtq h ARG 1135Cb 1.60 -0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 30.82 3gtq h ARG 1135CO 0.18 0.69 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.74 3gtq h ASP 1136N 1.07 -0.52 1.01 -3.80 3.32 -1.36 1.29 116.42 117.43 3gtq h ASP 1136Ca 0.47 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.67 3gtq h ASP 1136Cb 0.36 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3gtq h ASP 1136CO -0.23 -0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.11 3gtq h MET 1138N 0.00 0.07 -0.31 0.00 2.86 0.15 -3.18 114.93 114.53 3gtq h MET 1138Ca 0.00 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 3gtq h MET 1138Cb 0.51 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3gtq h MET 1138CO 0.00 0.88 -0.13 0.82 1.06 0.00 0.00 176.91 179.53 3gtq h ILE 1139N 0.02 1.29 -0.65 -1.22 2.04 0.25 -2.90 117.51 116.34 3gtq h ILE 1139Ca -0.16 -1.23 0.13 0.00 1.00 0.00 0.00 64.86 64.60 3gtq h ILE 1139Cb 1.92 1.43 -0.10 0.00 -0.74 0.00 0.00 36.82 39.33 3gtq h ILE 1139CO 0.12 0.39 0.11 0.00 0.00 0.00 0.00 178.15 178.77 3gtq h ALA 1140N 0.77 0.75 0.00 1.87 0.00 -0.81 0.06 119.26 121.91 3gtq h ALA 1140Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gtq h ALA 1140Cb 0.65 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gtq h ALA 1140CO 0.04 -0.34 0.00 0.72 0.00 0.00 0.00 179.25 179.67 3gtq n HIS 1141N -5.18 0.03 -3.17 0.00 8.25 -1.20 -4.84 115.22 109.10 3gtq n HIS 1141Ca 0.10 0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.37 3gtq n HIS 1141Cb 0.37 -0.52 0.05 0.00 1.12 0.00 0.00 29.99 31.01 3gtq n HIS 1141CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtq n GLY 1142N -0.51 -0.39 3.46 -1.41 0.00 0.01 -4.94 105.19 101.41 3gtq n GLY 1142Ca 0.02 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3gtq n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtq s ALA 1143N -3.19 3.26 -0.08 4.61 0.00 -1.10 -4.91 121.76 120.35 3gtq s ALA 1143Ca 0.38 -2.50 -0.04 0.00 0.00 0.00 0.00 51.96 49.81 3gtq s ALA 1143Cb -0.17 -4.03 -0.02 0.00 0.00 0.00 0.00 23.12 18.90 3gtq s ALA 1143CO 0.47 -2.97 0.15 0.00 0.00 0.00 0.00 175.76 173.42 3gtq h ALA 1144N 9.09 -0.13 -0.16 0.00 0.00 -1.92 -3.11 119.26 123.03 3gtq h ALA 1144Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gtq h ALA 1144Cb 1.04 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3gtq h ALA 1144CO 1.15 -0.12 -0.04 1.03 0.00 0.00 0.00 179.25 181.26 3gtq h SER 1145N -0.99 -0.16 -0.62 0.00 0.87 -1.99 -2.46 113.55 108.20 3gtq h SER 1145Ca -0.01 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3gtq h SER 1145Cb 0.10 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3gtq h SER 1145CO 0.02 -0.06 0.41 0.15 -0.53 0.00 0.00 176.83 176.82 3gtq h PHE 1146N -0.01 0.71 -0.05 2.24 3.57 -1.98 0.15 116.94 121.57 3gtq h PHE 1146Ca 0.08 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3gtq h PHE 1146Cb 0.13 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3gtq h PHE 1146CO -0.19 0.42 -0.54 1.25 -2.23 0.00 0.00 178.31 177.02 3gtq h LEU 1147N 0.75 0.16 -0.74 0.59 6.46 -1.46 -2.58 115.31 118.49 3gtq h LEU 1147Ca 0.24 -0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 3gtq h LEU 1147Cb 0.05 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3gtq h LEU 1147CO -0.06 0.68 -0.29 0.50 -0.62 0.00 0.00 178.44 178.65 3gtq h LYS 1148N 0.11 0.65 -0.61 1.25 3.64 -0.34 -1.96 116.57 119.31 3gtq h LYS 1148Ca -0.00 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.07 3gtq h LYS 1148Cb 1.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 3gtq h LYS 1148CO 0.08 0.86 0.24 1.49 -2.27 0.00 0.00 179.45 179.85 3gtq h GLU 1149N 0.56 0.92 -0.61 1.90 4.81 -0.69 0.10 114.58 121.57 3gtq h GLU 1149Ca 0.07 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3gtq h GLU 1149Cb 0.77 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3gtq h GLU 1149CO 0.06 0.79 0.12 0.00 -0.73 0.00 0.00 179.01 179.25 3gtq h ARG 1150N 0.86 0.97 -0.63 1.92 2.47 -1.50 -2.96 114.38 115.50 3gtq h ARG 1150Ca 0.20 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3gtq h ARG 1150Cb 0.22 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 3gtq h ARG 1150CO -0.02 0.88 0.00 1.28 0.56 0.00 0.00 179.97 182.67 3gtq n LEU 1151N -4.24 5.24 0.00 3.04 4.32 -0.55 -4.61 117.00 120.19 3gtq n LEU 1151Ca 0.04 -2.65 0.00 0.00 -0.02 0.00 0.00 56.01 53.38 3gtq n LEU 1151Cb 0.26 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 3gtq n LEU 1151CO 0.41 0.72 0.00 0.23 -1.22 0.00 0.00 177.39 177.54 3gtq n MET 1152N 0.90 0.00 0.00 3.23 2.81 0.24 -4.68 117.12 119.62 3gtq n MET 1152Ca 0.27 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 3gtq n MET 1152Cb 1.04 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.55 3gtq n MET 1152CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gtq n GLU 1153N -1.64 0.00 -2.39 0.03 4.71 -1.14 -0.90 120.64 119.31 3gtq n GLU 1153Ca 0.00 0.37 -0.41 0.00 -0.01 0.00 0.00 57.16 57.11 3gtq n GLU 1153Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 3gtq n GLU 1153CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gtq s ALA 1154N -2.75 3.43 0.00 0.62 0.00 -1.13 -4.39 121.76 117.54 3gtq s ALA 1154Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3gtq s ALA 1154Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3gtq s ALA 1154CO 0.00 -0.38 0.00 0.45 0.00 0.00 0.00 175.76 175.83 3gtq n SER 1155N 2.90 0.00 0.00 0.00 2.88 -1.26 -4.47 113.62 113.67 3gtq n SER 1155Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3gtq n SER 1155Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3gtq n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gtq n ASP 1156N 4.30 0.00 -1.76 -3.46 10.43 -1.21 -4.78 116.55 120.07 3gtq n ASP 1156Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3gtq n ASP 1156Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3gtq n ASP 1156CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtq n ALA 1157N -3.00 -2.31 -3.08 2.24 0.00 -0.08 -4.72 120.51 109.56 3gtq n ALA 1157Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 3gtq n ALA 1157Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3gtq n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gtq s PHE 1158N -0.39 -0.06 -0.45 0.00 5.36 -0.46 -4.68 117.98 117.30 3gtq s PHE 1158Ca 0.00 0.14 -0.08 0.00 -0.96 0.00 0.00 56.93 56.03 3gtq s PHE 1158Cb 0.00 0.00 0.11 0.00 -0.34 0.00 0.00 43.02 42.79 3gtq s PHE 1158CO 0.00 -0.20 0.30 0.50 -1.46 0.00 0.00 175.22 174.36 3gtq s ARG 1159N -0.71 2.40 0.11 10.12 3.00 -1.26 -2.79 118.95 129.82 3gtq s ARG 1159Ca -0.08 -1.72 0.04 0.00 -1.00 0.00 0.00 55.73 52.97 3gtq s ARG 1159Cb -0.05 -3.82 -0.04 0.00 0.00 0.00 0.00 34.95 31.04 3gtq s ARG 1159CO 0.01 -1.12 0.09 0.08 0.00 0.00 0.00 175.30 174.36 3gtq s VAL 1160N 1.33 4.49 -0.08 7.11 1.01 -1.19 -5.01 120.40 128.05 3gtq s VAL 1160Ca 0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3gtq s VAL 1160Cb -0.25 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3gtq s VAL 1160CO -0.01 0.05 0.01 -1.00 0.00 0.00 0.00 175.10 174.14 3gtq s HIS 1161N -1.51 3.17 0.14 5.22 3.76 -1.26 -2.23 115.29 122.57 3gtq s HIS 1161Ca 0.30 0.20 0.06 0.00 -0.15 0.00 0.00 55.06 55.47 3gtq s HIS 1161Cb -0.11 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 3gtq s HIS 1161CO 0.22 0.48 -0.14 -1.50 -0.85 0.00 0.00 174.74 172.95 3gtq s ILE 1162N -0.90 1.37 0.16 0.60 1.10 -0.19 -4.47 121.20 118.87 3gtq s ILE 1162Ca 0.14 -1.83 -0.19 0.00 -0.51 0.00 0.00 60.65 58.25 3gtq s ILE 1162Cb -0.11 -1.64 -0.08 0.00 0.15 0.00 0.00 42.46 40.78 3gtq s ILE 1162CO 0.03 -0.48 0.66 0.00 -2.11 0.00 0.00 174.94 173.04 3gtq h GLY 1164N 3.87 0.00 0.00 0.00 0.00 -1.18 -3.23 103.07 102.53 3gtq h GLY 1164Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gtq h GLY 1164CO 0.65 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.58 3gtq n ILE 1165N -2.23 0.00 -0.11 2.60 5.41 -1.26 -4.89 119.36 118.88 3gtq n ILE 1165Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 3gtq n ILE 1165Cb 0.45 -0.66 0.02 0.00 -0.71 0.00 0.00 39.64 38.74 3gtq n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtq n GLY 1167N -1.27 0.98 0.00 0.00 0.00 -1.22 -4.93 105.19 98.75 3gtq n GLY 1167Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gtq n GLY 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtq n LEU 1168N 0.00 0.00 -2.98 0.99 4.77 -1.26 -1.43 117.00 117.09 3gtq n LEU 1168Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3gtq n LEU 1168Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3gtq n LEU 1168CO 0.00 -0.06 0.54 0.23 -1.33 0.00 0.00 177.39 176.77 3gtq n MET 1169N -0.12 3.69 0.02 3.23 2.81 -1.26 -1.85 117.12 123.65 3gtq n MET 1169Ca 0.00 -4.64 0.11 0.00 -1.81 0.00 0.00 57.70 51.36 3gtq n MET 1169Cb 0.00 -2.29 -0.10 0.00 -0.71 0.00 0.00 33.22 30.12 3gtq n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtq n THR 1170N -0.29 0.17 -1.29 2.03 -1.04 -1.26 -4.98 114.28 107.61 3gtq n THR 1170Ca 0.38 -0.43 -0.47 0.00 -2.04 0.00 0.00 64.05 61.49 3gtq n THR 1170Cb 0.41 0.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 3gtq n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3gtq n VAL 1171N -2.24 1.00 -3.27 12.58 0.31 -1.26 -4.85 118.33 120.60 3gtq n VAL 1171Ca -0.01 -0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 3gtq n VAL 1171Cb 0.52 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.40 3gtq n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtq s ILE 1172N -0.50 5.09 -0.55 2.52 1.01 0.30 -4.98 121.20 124.08 3gtq s ILE 1172Ca 0.68 1.07 -0.02 0.00 0.00 0.00 0.00 60.65 62.38 3gtq s ILE 1172Cb -0.97 -3.86 0.24 0.00 0.01 0.00 0.00 42.46 37.88 3gtq s ILE 1172CO 0.51 0.36 2.29 0.00 0.00 0.00 0.00 174.94 178.09 3gtq n ALA 1173N 3.32 6.14 -0.61 9.38 0.00 -1.26 -4.20 120.51 133.29 3gtq n ALA 1173Ca -0.07 -3.05 -0.22 0.00 0.00 0.00 0.00 53.44 50.10 3gtq n ALA 1173Cb 0.51 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 3gtq n ALA 1173CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtq n LYS 1174N 0.08 1.27 -2.93 0.00 5.02 -1.23 -4.87 118.16 115.50 3gtq n LYS 1174Ca 0.48 -1.25 -0.41 0.00 -2.02 0.00 0.00 58.31 55.12 3gtq n LYS 1174Cb 0.51 -2.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 3gtq n LYS 1174CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gtq s LEU 1175N 0.27 4.19 0.00 -0.35 0.20 -1.26 -3.49 118.68 118.24 3gtq s LEU 1175Ca 0.35 1.15 0.00 0.00 0.69 0.00 0.00 54.13 56.33 3gtq s LEU 1175Cb 0.09 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.66 3gtq s LEU 1175CO 0.04 -0.35 0.00 -3.20 -0.29 0.00 0.00 176.35 172.55 3gtq n ASN 1176N 5.01 0.00 -4.36 3.68 5.15 -1.26 -4.97 115.26 118.51 3gtq n ASN 1176Ca 0.03 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.55 3gtq n ASN 1176Cb 0.49 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.73 3gtq n ASN 1176CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3gtq s HIS 1177N 0.00 3.71 0.00 1.20 0.09 -1.24 -4.96 115.29 114.09 3gtq s HIS 1177Ca 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 55.06 53.07 3gtq s HIS 1177Cb 0.00 -3.94 0.00 0.00 -0.00 0.00 0.00 32.58 28.64 3gtq s HIS 1177CO 0.00 -1.10 0.93 0.09 -0.00 0.00 0.00 174.74 174.66 3gtq n ASN 1178N 4.36 -1.86 -3.70 1.40 5.03 -1.26 -4.81 115.26 114.42 3gtq n ASN 1178Ca 0.19 -1.28 -0.22 0.00 0.87 0.00 0.00 54.58 54.13 3gtq n ASN 1178Cb 0.46 -0.52 -0.18 0.00 -1.02 0.00 0.00 39.78 38.53 3gtq n ASN 1178CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gtq s GLN 1179N 4.72 0.25 -0.69 3.52 -0.21 -1.23 -5.07 119.66 120.96 3gtq s GLN 1179Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.58 3gtq s GLN 1179Cb 0.00 -0.99 0.22 0.00 1.00 0.00 0.00 33.01 33.25 3gtq s GLN 1179CO 0.00 -0.39 0.69 1.19 -2.12 0.00 0.00 175.29 174.65 3gtq n PHE 1180N 5.22 3.51 -2.03 0.91 3.01 -1.26 -3.53 117.46 123.29 3gtq n PHE 1180Ca -0.05 -4.17 -0.40 0.00 1.01 0.00 0.00 57.45 53.83 3gtq n PHE 1180Cb 0.50 -0.63 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 3gtq n PHE 1180CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3gtq s GLU 1181N -2.10 4.18 -0.11 -1.08 0.41 -1.26 -4.29 118.70 114.45 3gtq s GLU 1181Ca 0.34 2.27 0.06 0.00 -0.41 0.00 0.00 54.97 57.23 3gtq s GLU 1181Cb 0.07 -2.95 -0.11 0.00 -1.78 0.00 0.00 34.13 29.36 3gtq s GLU 1181CO -0.07 -0.35 -0.02 0.00 -0.49 0.00 0.00 175.26 174.33 3gtq n LYS 1183N -2.58 -0.14 0.00 0.00 -0.00 -1.26 -4.49 118.16 109.69 3gtq n LYS 1183Ca -0.20 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 3gtq n LYS 1183Cb 0.81 -0.62 0.00 0.00 -0.00 0.00 0.00 35.03 35.21 3gtq n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gtq n GLY 1184N -2.26 0.96 0.07 2.58 0.00 -1.26 -4.00 105.19 101.28 3gtq n GLY 1184Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3gtq n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtq n ASP 1186N -1.88 -5.36 -4.50 0.00 8.00 -1.26 -4.96 116.55 106.59 3gtq n ASP 1186Ca 0.01 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.23 3gtq n ASP 1186Cb 0.13 -4.49 -0.12 0.00 -0.02 0.00 0.00 41.12 36.62 3gtq n ASP 1186CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gtq s ASN 1187N -2.06 4.76 -0.03 -2.24 3.04 -1.26 -4.93 114.94 112.22 3gtq s ASN 1187Ca 0.00 -0.13 0.05 0.00 0.04 0.00 0.00 52.86 52.82 3gtq s ASN 1187Cb 0.00 -1.75 -0.08 0.00 -1.54 0.00 0.00 41.25 37.89 3gtq s ASN 1187CO 0.00 0.18 0.07 0.29 -3.04 0.00 0.00 177.10 174.60 3gtq n LYS 1188N 3.45 1.81 -0.03 0.43 4.01 -1.26 -1.58 118.16 124.99 3gtq n LYS 1188Ca -0.17 -0.03 -0.03 0.00 -0.51 0.00 0.00 58.31 57.57 3gtq n LYS 1188Cb 0.53 -1.14 -0.01 0.00 -0.51 0.00 0.00 35.03 33.90 3gtq n LYS 1188CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3gtq n ILE 1189N -1.98 0.61 -1.77 -0.18 -0.00 -1.26 -4.50 119.36 110.28 3gtq n ILE 1189Ca -0.05 0.36 -0.24 0.00 -0.00 0.00 0.00 62.75 62.82 3gtq n ILE 1189Cb 0.44 -1.86 -0.05 0.00 -0.00 0.00 0.00 39.64 38.17 3gtq n ILE 1189CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3gtq s ASP 1190N -4.65 4.50 -0.18 4.38 -0.00 -1.26 -4.86 116.67 114.60 3gtq s ASP 1190Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 52.55 52.30 3gtq s ASP 1190Cb 0.01 -2.54 0.05 0.00 -0.00 0.00 0.00 42.92 40.44 3gtq s ASP 1190CO 0.14 -3.22 0.48 -0.51 -0.00 0.00 0.00 175.17 172.06 3gtq s ILE 1191N 12.35 -0.00 -0.03 0.77 1.10 -1.26 -0.54 121.20 133.59 3gtq s ILE 1191Ca 0.84 0.02 0.03 0.00 -0.51 0.00 0.00 60.65 61.02 3gtq s ILE 1191Cb -0.11 -0.68 -0.00 0.00 0.15 0.00 0.00 42.46 41.81 3gtq s ILE 1191CO 0.09 0.01 -0.12 -0.31 -2.11 0.00 0.00 174.94 172.50 3gtq s TYR 1192N 0.54 1.17 -0.06 3.50 1.51 -0.56 -4.94 117.35 118.50 3gtq s TYR 1192Ca -0.02 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 3gtq s TYR 1192Cb -0.04 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 3gtq s TYR 1192CO -0.03 -0.09 1.00 -1.14 -1.11 0.00 0.00 175.55 174.18 3gtq s GLN 1193N 0.03 4.47 0.15 -0.62 0.74 -1.26 -1.02 119.66 122.16 3gtq s GLN 1193Ca -0.01 1.42 0.06 0.00 0.05 0.00 0.00 55.36 56.87 3gtq s GLN 1193Cb -0.08 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 3gtq s GLN 1193CO 0.01 -0.22 -0.12 0.96 -0.55 0.00 0.00 175.29 175.37 3gtq s ILE 1194N 1.62 1.33 -0.24 -2.34 -0.00 -0.95 -4.99 121.20 115.64 3gtq s ILE 1194Ca 0.50 -1.98 -0.05 0.00 -0.00 0.00 0.00 60.65 59.13 3gtq s ILE 1194Cb -0.20 -1.78 -0.01 0.00 -0.00 0.00 0.00 42.46 40.48 3gtq s ILE 1194CO 0.22 -0.61 -0.01 -1.00 -0.00 0.00 0.00 174.94 173.54 3gtq s HIS 1195N -2.87 3.01 0.06 1.37 3.76 -1.26 -3.17 115.29 116.19 3gtq s HIS 1195Ca 0.15 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 3gtq s HIS 1195Cb -0.01 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 3gtq s HIS 1195CO 0.03 -0.52 -0.05 0.96 -0.85 0.00 0.00 174.74 174.30 3gtq s ILE 1196N 1.50 0.41 0.36 0.60 -0.00 -1.12 -5.01 121.20 117.93 3gtq s ILE 1196Ca 0.05 -1.65 -0.28 0.00 -0.00 0.00 0.00 60.65 58.77 3gtq s ILE 1196Cb -0.15 -1.30 -0.11 0.00 -0.00 0.00 0.00 42.46 40.90 3gtq s ILE 1196CO -0.01 -0.82 1.49 -2.84 -0.00 0.00 0.00 174.94 172.76 3gtq s PRO 1197N -3.29 4.13 0.23 0.37 0.02 -1.26 -1.35 135.00 133.84 3gtq s PRO 1197Ca 0.04 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 3gtq s PRO 1197Cb 0.03 -2.99 0.34 0.00 0.02 0.00 0.00 34.50 31.89 3gtq s PRO 1197CO -0.06 -0.52 1.63 -0.92 -0.33 0.00 0.00 177.00 176.80 3gtq h TYR 1198N 3.39 -0.19 -0.84 6.54 3.20 -1.87 0.23 116.97 127.43 3gtq h TYR 1198Ca -0.50 0.06 0.33 0.00 3.14 0.00 0.00 58.73 61.76 3gtq h TYR 1198Cb 1.23 0.19 -0.15 0.00 1.54 0.00 0.00 36.73 39.55 3gtq h TYR 1198CO 0.54 -0.25 0.39 0.00 -1.64 0.00 0.00 178.16 177.20 3gtq n ALA 1199N -3.00 0.80 0.05 1.82 0.00 -1.26 -0.99 120.51 117.92 3gtq n ALA 1199Ca 0.11 0.86 -0.10 0.00 0.00 0.00 0.00 53.44 54.30 3gtq n ALA 1199Cb 0.40 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3gtq n ALA 1199CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtq h ALA 1200N 1.67 -0.22 -0.95 0.00 0.00 -0.90 -0.34 119.26 118.52 3gtq h ALA 1200Ca 0.68 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 55.65 3gtq h ALA 1200Cb 1.77 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.49 3gtq h ALA 1200CO -0.66 -0.29 0.41 -0.22 0.00 0.00 0.00 179.25 178.48 3gtq h LYS 1201N -0.87 0.25 -0.41 0.00 3.11 -1.13 0.47 116.57 117.99 3gtq h LYS 1201Ca -0.02 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 3gtq h LYS 1201Cb 0.52 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 3gtq h LYS 1201CO 0.04 0.17 0.05 1.25 -2.81 0.00 0.00 179.45 178.14 3gtq h LEU 1202N 0.26 0.67 -0.22 5.20 7.12 -0.91 0.31 115.31 127.73 3gtq h LEU 1202Ca 0.65 -0.28 0.02 0.00 0.13 0.00 0.00 57.88 58.41 3gtq h LEU 1202Cb 1.42 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 3gtq h LEU 1202CO -0.64 0.78 0.07 0.25 -0.13 0.00 0.00 178.44 178.77 3gtq h LEU 1203N 0.54 0.08 -0.33 2.25 5.85 0.98 -1.87 115.31 122.81 3gtq h LEU 1203Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gtq h LEU 1203Cb 0.41 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3gtq h LEU 1203CO 0.01 0.07 0.20 -0.26 -0.34 0.00 0.00 178.44 178.13 3gtq h PHE 1204N 0.18 0.43 -1.00 1.25 0.05 0.32 0.55 116.94 118.72 3gtq h PHE 1204Ca 0.10 0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.95 3gtq h PHE 1204Cb 0.07 -0.14 -0.06 0.00 2.00 0.00 0.00 35.95 37.81 3gtq h PHE 1204CO -0.13 0.31 0.65 1.96 -0.18 0.00 0.00 178.31 180.92 3gtq h GLN 1205N 0.43 1.16 0.40 1.51 4.20 -0.39 1.04 115.11 123.46 3gtq h GLN 1205Ca 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3gtq h GLN 1205Cb -0.00 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.52 3gtq h GLN 1205CO -0.02 0.77 -0.19 0.93 -0.67 0.00 0.00 178.83 179.65 3gtq h GLU 1206N 1.20 -0.51 -0.17 1.46 5.08 -0.40 0.37 114.58 121.61 3gtq h GLU 1206Ca 0.42 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.87 3gtq h GLU 1206Cb 0.12 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 3gtq h GLU 1206CO -0.16 -0.22 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.18 3gtq h LEU 1207N -0.80 -1.22 -0.83 1.33 -0.00 0.36 0.46 115.31 114.61 3gtq h LEU 1207Ca -0.05 0.17 0.07 0.00 -0.00 0.00 0.00 57.88 58.07 3gtq h LEU 1207Cb 0.53 0.51 -0.10 0.00 -0.00 0.00 0.00 40.66 41.60 3gtq h LEU 1207CO 0.09 -0.40 -0.49 0.80 -0.00 0.00 0.00 178.44 178.44 3gtq n MET 1208N -5.43 -0.37 0.25 1.13 1.56 0.36 -1.36 117.12 113.26 3gtq n MET 1208Ca -0.03 1.30 0.13 0.00 -0.27 0.00 0.00 57.70 58.83 3gtq n MET 1208Cb 0.35 -1.91 0.58 0.00 2.15 0.00 0.00 33.22 34.38 3gtq n MET 1208CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3gtq h ALA 1209N 0.37 1.04 -0.00 -5.12 0.00 0.14 0.28 119.26 115.97 3gtq h ALA 1209Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gtq h ALA 1209Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gtq h ALA 1209CO -0.78 0.17 -0.02 -0.12 0.00 0.00 0.00 179.25 178.49 3gtq n MET 1210N -3.31 0.78 -0.45 0.00 0.00 0.15 -4.92 117.12 109.37 3gtq n MET 1210Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.60 3gtq n MET 1210Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.08 3gtq n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtq n ASN 1211N -1.02 -1.34 -4.52 6.12 4.05 0.98 -5.05 115.26 114.48 3gtq n ASN 1211Ca 0.18 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.86 3gtq n ASN 1211Cb 0.20 -0.22 -0.12 0.00 1.23 0.00 0.00 39.78 40.88 3gtq n ASN 1211CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gtq s ILE 1212N -2.00 4.52 -0.35 -1.44 1.01 -0.72 -4.97 121.20 117.24 3gtq s ILE 1212Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 3gtq s ILE 1212Cb 0.00 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.40 3gtq s ILE 1212CO 0.00 0.38 1.16 0.42 0.00 0.00 0.00 174.94 176.90 3gtq s THR 1213N 1.17 4.32 -0.43 2.92 -4.23 -1.26 -2.72 115.64 115.42 3gtq s THR 1213Ca 0.05 1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 61.89 3gtq s THR 1213Cb -0.14 -4.39 0.04 0.00 1.34 0.00 0.00 72.50 69.35 3gtq s THR 1213CO 0.03 -0.61 0.33 -2.16 -0.54 0.00 0.00 174.62 171.67 3gtq s PRO 1214N 4.01 2.96 -0.36 3.99 0.04 -1.26 -5.06 135.00 139.33 3gtq s PRO 1214Ca 0.49 -1.14 -0.13 0.00 0.04 0.00 0.00 61.00 60.26 3gtq s PRO 1214Cb -0.12 -4.02 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 3gtq s PRO 1214CO 0.22 -0.84 0.24 1.03 0.04 0.00 0.00 177.00 177.68 3gtq s ARG 1215N 1.66 3.28 -0.33 4.56 0.52 -1.26 -4.75 118.95 122.62 3gtq s ARG 1215Ca 0.05 -0.79 -0.26 0.00 -0.52 0.00 0.00 55.73 54.20 3gtq s ARG 1215Cb -0.21 -3.81 0.01 0.00 0.52 0.00 0.00 34.95 31.46 3gtq s ARG 1215CO 0.09 -0.54 0.95 -0.51 0.02 0.00 0.00 175.30 175.31 3gtq s LEU 1216N 1.68 4.00 0.04 2.53 2.01 -0.51 -5.02 118.68 123.40 3gtq s LEU 1216Ca 0.05 0.80 0.06 0.00 0.01 0.00 0.00 54.13 55.06 3gtq s LEU 1216Cb -0.18 -3.33 -0.03 0.00 0.01 0.00 0.00 46.19 42.66 3gtq s LEU 1216CO 0.09 -0.80 -0.15 -0.31 1.01 0.00 0.00 176.35 176.19 3gtq s TYR 1217N 3.40 2.64 -1.64 0.29 1.51 -1.26 -4.78 117.35 117.51 3gtq s TYR 1217Ca 0.40 -0.21 0.17 0.00 -1.01 0.00 0.00 57.07 56.42 3gtq s TYR 1217Cb -0.13 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 3gtq s TYR 1217CO 0.15 0.29 0.91 0.25 -1.11 0.00 0.00 175.55 176.04 3gtq n THR 1218N 1.50 0.00 -4.99 -0.71 -2.24 -1.26 -4.92 114.28 101.65 3gtq n THR 1218Ca -0.16 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 3gtq n THR 1218Cb 0.52 1.22 -0.15 0.00 -2.10 0.00 0.00 70.33 69.83 3gtq n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtq s ASP 1219N -1.87 3.64 0.35 3.42 1.47 -1.26 -5.02 116.67 117.40 3gtq s ASP 1219Ca 0.15 -0.38 0.19 0.00 1.18 0.00 0.00 52.55 53.69 3gtq s ASP 1219Cb 0.14 -1.22 1.02 0.00 -0.34 0.00 0.00 42.92 42.51 3gtq s ASP 1219CO 0.39 0.22 1.52 0.03 0.68 0.00 0.00 175.17 178.01 3gtq h ARG 1220N 6.25 0.00 -6.30 2.11 2.47 -2.08 -3.44 114.38 113.40 3gtq h ARG 1220Ca -0.31 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.85 3gtq h ARG 1220Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.48 3gtq h ARG 1220CO 0.51 0.00 -0.20 -1.12 0.56 0.00 0.00 179.97 179.72 3gtq s SER 1221N -3.79 6.58 0.36 7.04 0.01 -1.26 -5.10 113.70 117.54 3gtq s SER 1221Ca -0.02 0.78 -0.25 0.00 1.31 0.00 0.00 55.95 57.77 3gtq s SER 1221Cb 0.05 -2.17 -0.10 0.00 0.21 0.00 0.00 66.02 64.02 3gtq s SER 1221CO 0.17 0.00 0.97 -0.13 0.41 0.00 0.00 173.24 174.67 3gtq s ARG 1222N -2.65 4.42 0.00 12.44 1.81 -1.26 -4.98 118.95 128.72 3gtq s ARG 1222Ca 0.43 1.34 0.09 0.00 -1.72 0.00 0.00 55.73 55.87 3gtq s ARG 1222Cb -0.12 -2.62 0.55 0.00 -0.45 0.00 0.00 34.95 32.30 3gtq s ARG 1222CO 0.22 0.12 0.97 -0.25 -0.68 0.00 0.00 175.30 175.68 3gtq n ASP 1223N 0.19 0.00 -0.10 0.23 9.92 -1.26 -5.24 116.55 120.28 3gtq n ASP 1223Ca 0.04 -0.47 0.16 0.00 -0.53 0.00 0.00 54.79 53.98 3gtq n ASP 1223Cb 0.51 0.00 0.86 0.00 -0.64 0.00 0.00 41.12 41.84 3gtq n ASP 1223CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66