#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9x s GLN 13 N 0.00 1.54 0.48 1.57 -2.07 -1.26 -5.13 119.66 114.79 1m9x s GLN 13 Ca 0.00 -0.29 -0.23 0.00 -1.82 0.00 0.00 55.36 53.02 1m9x s GLN 13 Cb 0.00 -1.50 -0.08 0.00 -1.09 0.00 0.00 33.01 30.34 1m9x s GLN 13 CO 0.00 -0.17 1.18 0.00 -1.32 0.00 0.00 175.29 174.97 1m9x n ALA 14 N 4.57 0.91 -1.09 2.60 0.00 -1.26 -4.88 120.51 121.36 1m9x n ALA 14 Ca -0.16 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1m9x n ALA 14 Cb 0.51 -2.22 0.08 0.00 0.00 0.00 0.00 19.45 17.81 1m9x n ALA 14 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1m9x n ILE 15 N -0.74 0.88 -3.61 0.00 -5.35 -1.26 -4.94 119.36 104.35 1m9x n ILE 15 Ca 0.09 -0.36 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 1m9x n ILE 15 Cb 0.42 -0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 37.73 1m9x n ILE 15 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1m9x s SER 16 N -1.52 6.59 0.51 7.28 1.04 -1.26 -4.95 113.70 121.39 1m9x s SER 16 Ca 0.59 0.73 0.31 0.00 0.48 0.00 0.00 55.95 58.06 1m9x s SER 16 Cb -0.30 -2.15 1.43 0.00 0.10 0.00 0.00 66.02 65.10 1m9x s SER 16 CO 0.65 0.15 1.84 -0.65 0.98 0.00 0.00 173.24 176.21 1m9x h PRO 17 N 3.52 0.08 -0.05 4.02 0.11 -1.99 0.10 132.00 137.78 1m9x h PRO 17 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1m9x h PRO 17 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1m9x h PRO 17 CO 0.68 0.05 0.01 0.00 -0.21 0.00 0.00 178.00 178.53 1m9x h ARG 18 N 0.08 0.09 -0.55 1.05 2.47 -2.00 -0.41 114.38 115.11 1m9x h ARG 18 Ca 0.50 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 59.18 1m9x h ARG 18 Cb 1.85 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 30.13 1m9x h ARG 18 CO -0.06 0.31 0.25 1.15 0.56 0.00 0.00 179.97 182.19 1m9x h THR 19 N -0.15 1.19 0.22 2.04 2.02 -1.21 -3.02 112.91 113.99 1m9x h THR 19 Ca 0.02 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1m9x h THR 19 Cb 0.27 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1m9x h THR 19 CO 0.00 0.22 -0.10 -0.07 0.37 0.00 0.00 175.52 175.94 1m9x h LEU 20 N 0.77 -0.25 -0.94 2.58 3.38 -1.30 -2.20 115.31 117.34 1m9x h LEU 20 Ca 0.19 -0.26 0.28 0.00 0.09 0.00 0.00 57.88 58.17 1m9x h LEU 20 Cb 0.10 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 40.75 1m9x h LEU 20 CO -0.02 0.18 0.19 -1.13 0.09 0.00 0.00 178.44 177.74 1m9x h ASN 21 N -0.73 -0.17 -0.40 -0.43 -0.73 -0.99 0.37 115.58 112.51 1m9x h ASN 21 Ca -0.03 0.24 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1m9x h ASN 21 Cb 0.49 0.36 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 1m9x h ASN 21 CO 0.05 -0.28 0.16 0.00 -0.37 0.00 0.00 177.43 176.99 1m9x h ALA 22 N 1.90 0.52 -0.32 1.57 0.00 -1.38 0.31 119.26 121.86 1m9x h ALA 22 Ca 0.61 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1m9x h ALA 22 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1m9x h ALA 22 CO -0.79 0.12 -0.02 2.35 0.00 0.00 0.00 179.25 180.92 1m9x h TRP 23 N 0.51 0.64 -0.48 0.00 2.91 -0.24 0.98 115.95 120.26 1m9x h TRP 23 Ca 0.13 -0.12 0.09 0.00 1.13 0.00 0.00 58.89 60.13 1m9x h TRP 23 Cb 0.18 -0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 28.58 1m9x h TRP 23 CO -0.00 0.72 -0.06 0.28 -1.03 0.00 0.00 178.44 178.34 1m9x h VAL 24 N 0.38 0.57 -0.80 2.65 2.07 0.13 -1.47 116.25 119.78 1m9x h VAL 24 Ca 0.09 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1m9x h VAL 24 Cb 0.47 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1m9x h VAL 24 CO 0.02 0.01 0.41 0.11 0.02 0.00 0.00 177.57 178.14 1m9x h LYS 25 N 0.05 1.13 0.06 1.57 1.79 -0.75 -1.59 116.57 118.83 1m9x h LYS 25 Ca 0.23 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1m9x h LYS 25 Cb 0.36 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1m9x h LYS 25 CO -0.45 0.86 -0.13 0.28 -1.08 0.00 0.00 179.45 178.93 1m9x h VAL 26 N 1.12 0.69 -0.20 0.50 2.07 -0.24 -2.40 116.25 117.79 1m9x h VAL 26 Ca 0.28 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.67 1m9x h VAL 26 Cb 0.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1m9x h VAL 26 CO -0.04 0.00 -0.43 0.58 0.02 0.00 0.00 177.57 177.70 1m9x h VAL 27 N -0.25 1.31 -0.49 2.57 2.07 -0.99 -1.32 116.25 119.15 1m9x h VAL 27 Ca 0.03 -1.60 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 1m9x h VAL 27 Cb 0.27 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1m9x h VAL 27 CO -0.09 0.50 -0.12 -0.08 0.02 0.00 0.00 177.57 177.80 1m9x h GLU 28 N 0.39 0.94 0.01 1.57 4.81 -1.31 -1.94 114.58 119.05 1m9x h GLU 28 Ca 0.03 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1m9x h GLU 28 Cb 0.91 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1m9x h GLU 28 CO 0.08 1.03 -0.01 1.49 -0.73 0.00 0.00 179.01 180.87 1m9x h GLU 29 N 0.80 -0.02 0.00 1.92 4.57 -1.31 -3.37 114.58 117.17 1m9x h GLU 29 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1m9x h GLU 29 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1m9x h GLU 29 CO 0.05 -0.01 0.00 1.63 -1.18 0.00 0.00 179.01 179.50 1m9x n LYS 30 N -2.24 0.69 0.00 1.92 4.01 -0.51 -4.90 118.16 117.14 1m9x n LYS 30 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1m9x n LYS 30 Cb 0.01 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 1m9x n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1m9x n ALA 31 N -0.90 0.00 -2.86 7.82 0.00 -0.73 -1.22 120.51 122.62 1m9x n ALA 31 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 1m9x n ALA 31 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1m9x n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9x n PHE 32 N 13.03 2.62 -2.69 0.00 3.72 -1.26 -4.73 117.46 128.14 1m9x n PHE 32 Ca 0.00 -3.60 -0.28 0.00 -0.05 0.00 0.00 57.45 53.52 1m9x n PHE 32 Cb 0.00 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 38.17 1m9x n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9x s SER 33 N -3.20 6.32 0.58 4.37 1.04 -0.36 -4.36 113.70 118.10 1m9x s SER 33 Ca 0.44 0.97 0.31 0.00 0.48 0.00 0.00 55.95 58.15 1m9x s SER 33 Cb 0.35 -2.26 1.36 0.00 0.10 0.00 0.00 66.02 65.56 1m9x s SER 33 CO -0.11 -0.53 1.69 -0.65 0.98 0.00 0.00 173.24 174.62 1m9x h PRO 34 N 0.47 0.00 0.00 4.02 0.11 -1.91 -2.38 132.00 132.30 1m9x h PRO 34 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1m9x h PRO 34 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1m9x h PRO 34 CO 0.62 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.22 1m9x h GLU 35 N 0.00 0.00 -0.28 1.05 3.07 -1.94 -2.23 114.58 114.25 1m9x h GLU 35 Ca 0.41 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.35 1m9x h GLU 35 Cb 2.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.96 1m9x h GLU 35 CO -0.00 0.12 0.21 -0.39 -1.40 0.00 0.00 179.01 177.54 1m9x h VAL 36 N 0.00 0.85 0.10 3.13 -1.51 -1.78 -3.02 116.25 114.02 1m9x h VAL 36 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1m9x h VAL 36 Cb 0.41 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1m9x h VAL 36 CO 0.02 0.00 -0.05 0.40 -1.23 0.00 0.00 177.57 176.71 1m9x h ILE 37 N 0.00 1.11 -0.75 7.19 2.04 -1.64 0.01 117.51 125.47 1m9x h ILE 37 Ca 0.13 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1m9x h ILE 37 Cb 0.55 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1m9x h ILE 37 CO -0.00 0.28 0.49 -0.65 0.00 0.00 0.00 178.15 178.27 1m9x h PRO 38 N -0.75 0.93 -0.26 2.37 0.11 -1.76 -1.18 132.00 131.45 1m9x h PRO 38 Ca -0.01 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1m9x h PRO 38 Cb 0.56 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1m9x h PRO 38 CO 0.02 0.61 0.17 0.52 -0.21 0.00 0.00 178.00 179.12 1m9x h MET 39 N 0.96 0.34 -0.96 1.05 2.86 -1.45 -1.78 114.93 115.95 1m9x h MET 39 Ca 0.29 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1m9x h MET 39 Cb -0.03 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 1m9x h MET 39 CO -0.07 0.22 0.63 0.35 1.06 0.00 0.00 176.91 179.10 1m9x h PHE 40 N 0.35 1.19 -0.63 -0.22 3.57 0.01 -2.17 116.94 119.05 1m9x h PHE 40 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1m9x h PHE 40 Cb -0.04 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.28 1m9x h PHE 40 CO -0.06 0.74 0.11 0.77 -2.23 0.00 0.00 178.31 177.64 1m9x h SER 41 N 1.28 0.96 -0.26 0.41 0.02 -0.90 -1.32 113.55 113.73 1m9x h SER 41 Ca 0.36 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1m9x h SER 41 Cb -0.12 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1m9x h SER 41 CO -0.09 0.96 0.02 0.00 -1.14 0.00 0.00 176.83 176.58 1m9x h ALA 42 N 1.16 0.35 0.00 3.77 0.00 -0.87 -3.12 119.26 120.56 1m9x h ALA 42 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1m9x h ALA 42 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1m9x h ALA 42 CO 0.01 0.07 -0.01 -0.07 0.00 0.00 0.00 179.25 179.25 1m9x h LEU 43 N 0.25 0.00 -3.05 0.00 3.38 -1.29 -3.08 115.31 111.52 1m9x h LEU 43 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1m9x h LEU 43 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1m9x h LEU 43 CO 0.01 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 1m9x n SER 44 N -3.10 4.66 -4.68 -0.43 3.41 -0.51 -4.97 113.62 108.00 1m9x n SER 44 Ca 0.01 -2.36 -0.42 0.00 -0.26 0.00 0.00 58.87 55.84 1m9x n SER 44 Cb 0.34 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1m9x n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9x s GLU 45 N -1.68 4.16 -0.89 4.33 2.02 -1.17 -1.61 118.70 123.86 1m9x s GLU 45 Ca 0.52 2.51 0.00 0.00 0.02 0.00 0.00 54.97 58.01 1m9x s GLU 45 Cb 0.32 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1m9x s GLU 45 CO 0.27 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 175.12 1m9x n GLY 46 N 4.23 1.01 3.78 -1.39 0.00 -1.26 -4.97 105.19 106.58 1m9x n GLY 46 Ca 0.18 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1m9x n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9x s ALA 47 N -2.24 2.84 0.56 4.61 0.00 -0.63 -5.04 121.76 121.86 1m9x s ALA 47 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 1m9x s ALA 47 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1m9x s ALA 47 CO 0.00 -0.65 0.92 0.95 0.00 0.00 0.00 175.76 176.98 1m9x s THR 48 N -1.69 4.71 0.30 0.00 -4.23 -1.26 -4.39 115.64 109.08 1m9x s THR 48 Ca 0.68 0.54 0.05 0.00 -1.18 0.00 0.00 61.69 61.77 1m9x s THR 48 Cb -0.25 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.05 1m9x s THR 48 CO 0.29 -0.98 1.67 -0.65 -0.54 0.00 0.00 174.62 174.42 1m9x h PRO 49 N -0.09 0.31 -0.81 3.99 0.11 -1.86 -0.74 132.00 132.92 1m9x h PRO 49 Ca -0.45 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1m9x h PRO 49 Cb 1.20 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1m9x h PRO 49 CO 0.62 0.21 0.53 0.37 -0.21 0.00 0.00 178.00 179.51 1m9x h GLN 50 N 0.32 1.02 -0.30 1.05 4.15 -1.91 -1.08 115.11 118.36 1m9x h GLN 50 Ca 0.58 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 1m9x h GLN 50 Cb 1.16 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1m9x h GLN 50 CO -0.58 0.67 0.10 -0.44 -1.93 0.00 0.00 178.83 176.65 1m9x h ASP 51 N 1.05 0.44 -0.93 -0.69 3.32 -1.77 0.19 116.42 118.02 1m9x h ASP 51 Ca 0.31 -0.20 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1m9x h ASP 51 Cb -0.05 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.30 1m9x h ASP 51 CO -0.09 0.52 0.54 -0.07 -1.72 0.00 0.00 179.24 178.42 1m9x h LEU 52 N 0.33 0.74 -0.55 1.55 3.38 -0.78 -1.44 115.31 118.54 1m9x h LEU 52 Ca 0.10 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1m9x h LEU 52 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1m9x h LEU 52 CO -0.00 0.35 -0.69 0.78 0.09 0.00 0.00 178.44 178.97 1m9x h ASN 53 N 0.81 0.20 -0.57 -0.43 2.35 -0.59 -1.70 115.58 115.64 1m9x h ASN 53 Ca 0.49 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1m9x h ASN 53 Cb 0.59 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1m9x h ASN 53 CO -0.31 0.83 0.06 0.71 -1.65 0.00 0.00 177.43 177.07 1m9x h THR 54 N 0.11 1.26 -0.19 2.81 1.35 -0.64 0.16 112.91 117.78 1m9x h THR 54 Ca -0.02 -1.02 0.03 0.00 -0.55 0.00 0.00 66.41 64.84 1m9x h THR 54 Cb 1.23 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1m9x h THR 54 CO 0.10 0.37 0.03 0.24 -0.25 0.00 0.00 175.52 176.01 1m9x h MET 55 N 0.85 0.10 -0.48 4.72 2.86 -1.11 -2.59 114.93 119.28 1m9x h MET 55 Ca 0.17 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1m9x h MET 55 Cb 0.46 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1m9x h MET 55 CO 0.02 0.06 0.09 -0.07 1.06 0.00 0.00 176.91 178.07 1m9x h LEU 56 N 0.10 0.68 -0.95 1.22 3.38 -0.83 -2.90 115.31 116.01 1m9x h LEU 56 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1m9x h LEU 56 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1m9x h LEU 56 CO -0.12 0.70 0.00 0.78 0.09 0.00 0.00 178.44 179.89 1m9x h ASN 57 N 0.71 0.00 1.16 -0.43 2.35 -0.44 -2.48 115.58 116.44 1m9x h ASN 57 Ca 0.15 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1m9x h ASN 57 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1m9x h ASN 57 CO 0.00 0.00 -0.37 0.00 -1.65 0.00 0.00 177.43 175.42 1m9x h THR 58 N 0.00 0.74 -2.46 2.81 1.03 -1.25 -3.42 112.91 110.37 1m9x h THR 58 Ca 0.00 -1.65 -0.54 0.00 -0.01 0.00 0.00 66.41 64.21 1m9x h THR 58 Cb 0.41 2.07 0.01 0.00 -1.07 0.00 0.00 68.15 69.57 1m9x h THR 58 CO 0.00 0.36 1.18 -0.69 -0.01 0.00 0.00 175.52 176.36 1m9x s VAL 59 N -3.36 3.22 0.11 0.00 1.01 -0.94 -4.99 120.40 115.46 1m9x s VAL 59 Ca 0.02 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1m9x s VAL 59 Cb 0.09 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1m9x s VAL 59 CO 0.69 -0.02 0.10 -0.83 0.00 0.00 0.00 175.10 175.04 1m9x s GLY 60 N 4.05 1.91 0.00 4.51 0.00 -1.26 -4.96 107.32 111.57 1m9x s GLY 60 Ca 0.83 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1m9x s GLY 60 CO 0.37 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1m9x n GLY 61 N 0.16 0.26 4.50 0.20 0.00 -1.26 -4.87 105.19 104.18 1m9x n GLY 61 Ca -0.08 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1m9x n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9x n HIS 62 N 0.00 -1.20 -0.32 1.61 8.25 -1.26 -4.87 115.22 117.43 1m9x n HIS 62 Ca 0.00 0.69 0.10 0.00 -0.26 0.00 0.00 57.72 58.24 1m9x n HIS 62 Cb 0.00 -2.04 0.27 0.00 1.12 0.00 0.00 29.99 29.34 1m9x n HIS 62 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1m9x h GLN 63 N -1.02 0.63 -0.52 -0.41 5.75 -1.97 -0.67 115.11 116.90 1m9x h GLN 63 Ca -0.61 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 57.77 1m9x h GLN 63 Cb 1.39 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 1m9x h GLN 63 CO 0.87 0.42 0.01 0.00 -2.65 0.00 0.00 178.83 177.48 1m9x h ALA 64 N 1.61 0.69 -0.12 3.38 0.00 -1.99 -1.09 119.26 121.74 1m9x h ALA 64 Ca 0.52 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1m9x h ALA 64 Cb 0.79 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1m9x h ALA 64 CO -0.39 0.50 -0.65 0.00 0.00 0.00 0.00 179.25 178.72 1m9x h ALA 65 N 0.95 0.65 0.00 0.00 0.00 -1.85 -1.78 119.26 117.23 1m9x h ALA 65 Ca 0.15 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1m9x h ALA 65 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1m9x h ALA 65 CO 0.02 0.72 -0.31 0.52 0.00 0.00 0.00 179.25 180.21 1m9x h MET 66 N 0.33 0.00 0.02 0.00 2.07 -0.79 -1.13 114.93 115.43 1m9x h MET 66 Ca -0.01 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.41 1m9x h MET 66 Cb 1.20 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.92 1m9x h MET 66 CO 0.11 0.31 -0.93 0.37 1.07 0.00 0.00 176.91 177.84 1m9x h GLN 67 N 0.00 0.15 -0.66 1.72 5.75 -0.78 -1.55 115.11 119.73 1m9x h GLN 67 Ca -0.00 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 1m9x h GLN 67 Cb 0.57 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1m9x h GLN 67 CO 0.04 0.97 0.22 0.52 -2.65 0.00 0.00 178.83 177.93 1m9x h MET 68 N 0.07 1.00 -0.27 1.69 2.86 -0.40 -1.57 114.93 118.31 1m9x h MET 68 Ca -0.05 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1m9x h MET 68 Cb 1.60 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1m9x h MET 68 CO 0.14 0.85 0.07 1.25 1.06 0.00 0.00 176.91 180.27 1m9x h LEU 69 N 0.97 0.41 -0.52 1.22 5.85 -0.94 -2.38 115.31 119.92 1m9x h LEU 69 Ca 0.22 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1m9x h LEU 69 Cb 0.25 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1m9x h LEU 69 CO -0.01 0.54 0.21 0.11 -0.34 0.00 0.00 178.44 178.94 1m9x h LYS 70 N 0.27 0.39 -0.94 1.25 1.57 -0.95 0.42 116.57 118.58 1m9x h LYS 70 Ca 0.08 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1m9x h LYS 70 Cb 0.29 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1m9x h LYS 70 CO 0.00 0.26 0.61 0.93 -0.57 0.00 0.00 179.45 180.68 1m9x h GLU 71 N 0.41 1.11 -0.51 3.15 5.08 -1.09 0.14 114.58 122.86 1m9x h GLU 71 Ca 0.25 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1m9x h GLU 71 Cb 0.25 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1m9x h GLU 71 CO -0.23 0.74 -0.07 1.15 -1.00 0.00 0.00 179.01 179.59 1m9x h THR 72 N 1.15 1.27 -0.50 1.13 2.02 -0.84 -0.85 112.91 116.29 1m9x h THR 72 Ca 0.39 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1m9x h THR 72 Cb 0.06 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1m9x h THR 72 CO -0.14 0.42 0.24 0.40 0.37 0.00 0.00 175.52 176.81 1m9x h ILE 73 N 0.82 1.19 -0.72 3.11 2.04 -0.25 0.10 117.51 123.80 1m9x h ILE 73 Ca 0.14 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1m9x h ILE 73 Cb 0.63 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1m9x h ILE 73 CO 0.04 0.21 0.29 0.78 0.00 0.00 0.00 178.15 179.48 1m9x h ASN 74 N 0.66 1.00 -0.29 1.72 -0.26 -0.58 -0.41 115.58 117.42 1m9x h ASN 74 Ca 0.17 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1m9x h ASN 74 Cb 0.12 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1m9x h ASN 74 CO -0.02 0.89 0.06 -0.33 -1.06 0.00 0.00 177.43 176.97 1m9x h GLU 75 N 1.04 0.48 -0.40 0.81 5.08 -0.65 -1.74 114.58 119.19 1m9x h GLU 75 Ca 0.24 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1m9x h GLU 75 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1m9x h GLU 75 CO -0.02 0.57 0.01 0.93 -1.00 0.00 0.00 179.01 179.50 1m9x h GLU 76 N 0.31 0.63 -0.27 2.33 4.39 -0.46 -2.06 114.58 119.44 1m9x h GLU 76 Ca 0.09 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1m9x h GLU 76 Cb 0.31 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1m9x h GLU 76 CO 0.00 0.64 -0.40 0.00 -1.16 0.00 0.00 179.01 178.10 1m9x h ALA 77 N 1.42 0.78 -0.05 3.43 0.00 -0.91 0.11 119.26 124.03 1m9x h ALA 77 Ca 0.13 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1m9x h ALA 77 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1m9x h ALA 77 CO 0.01 0.65 -0.66 0.00 0.00 0.00 0.00 179.25 179.26 1m9x h ALA 78 N 1.02 0.80 -0.38 0.00 0.00 -1.12 -1.94 119.26 117.63 1m9x h ALA 78 Ca 0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1m9x h ALA 78 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1m9x h ALA 78 CO 0.08 0.77 0.08 1.49 0.00 0.00 0.00 179.25 181.68 1m9x h GLU 79 N 0.15 0.62 -0.29 0.00 4.57 -1.07 -1.49 114.58 117.07 1m9x h GLU 79 Ca -0.01 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1m9x h GLU 79 Cb 1.19 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 1m9x h GLU 79 CO 0.10 0.66 0.16 2.35 -1.18 0.00 0.00 179.01 181.10 1m9x h TRP 80 N 0.48 0.29 -0.90 0.92 2.91 -0.63 -1.19 115.95 117.84 1m9x h TRP 80 Ca 0.12 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.22 1m9x h TRP 80 Cb 0.33 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.83 1m9x h TRP 80 CO 0.02 0.17 0.58 -0.44 -1.03 0.00 0.00 178.44 177.75 1m9x h ASP 81 N 0.33 0.90 -0.57 2.65 3.32 -1.07 -1.87 116.42 120.10 1m9x h ASP 81 Ca 0.11 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1m9x h ASP 81 Cb 0.01 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1m9x h ASP 81 CO -0.06 0.57 0.17 -0.09 -1.72 0.00 0.00 179.24 178.12 1m9x h ARG 82 N 1.02 0.89 -0.01 3.56 2.43 -0.78 -2.03 114.38 119.46 1m9x h ARG 82 Ca 0.39 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1m9x h ARG 82 Cb 0.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1m9x h ARG 82 CO -0.15 0.80 -0.06 1.28 -1.51 0.00 0.00 179.97 180.34 1m9x n LEU 83 N -4.43 0.80 -3.63 3.80 4.77 -0.49 -4.53 117.00 113.30 1m9x n LEU 83 Ca 0.03 -0.21 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 1m9x n LEU 83 Cb 0.21 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1m9x n LEU 83 CO 0.40 0.14 -0.23 -1.00 -1.33 0.00 0.00 177.39 175.37 1m9x s HIS 84 N -2.18 1.93 0.29 -1.77 3.76 -0.74 -5.08 115.29 111.49 1m9x s HIS 84 Ca 0.36 -2.52 -0.29 0.00 -0.15 0.00 0.00 55.06 52.46 1m9x s HIS 84 Cb 0.21 -1.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.12 1m9x s HIS 84 CO 0.40 -0.75 1.42 -2.14 -0.85 0.00 0.00 174.74 172.82 1m9x s PRO 85 N -0.07 4.26 0.23 8.40 0.02 -1.25 -4.79 135.00 141.79 1m9x s PRO 85 Ca 0.24 2.33 -0.31 0.00 0.02 0.00 0.00 61.00 63.27 1m9x s PRO 85 Cb -0.11 -3.08 -0.14 0.00 0.02 0.00 0.00 34.50 31.19 1m9x s PRO 85 CO -0.10 -0.38 1.24 0.28 -0.33 0.00 0.00 177.00 177.71 1m9x n VAL 86 N 1.71 1.15 -1.83 3.83 0.31 -1.26 -5.01 118.33 117.23 1m9x n VAL 86 Ca 0.04 -0.29 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 1m9x n VAL 86 Cb 0.40 -1.16 0.02 0.00 -0.91 0.00 0.00 33.84 32.20 1m9x n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m9x s ALA 87 N -0.33 3.00 0.28 3.52 0.00 -1.26 -4.99 121.76 121.99 1m9x s ALA 87 Ca 0.68 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1m9x s ALA 87 Cb -0.73 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.18 1m9x s ALA 87 CO 0.53 -0.79 1.36 -1.64 0.00 0.00 0.00 175.76 175.22 1m9x s MET 88 N -5.10 4.32 0.42 0.00 -1.94 -1.26 -5.02 119.30 110.73 1m9x s MET 88 Ca 0.56 2.23 -0.02 0.00 -1.71 0.00 0.00 55.69 56.74 1m9x s MET 88 Cb -0.12 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 1m9x s MET 88 CO 0.53 -0.29 0.67 0.00 -0.01 0.00 0.00 175.02 175.92 1m9x s ALA 89 N -0.49 3.56 0.32 3.03 0.00 -1.26 -4.61 121.76 122.30 1m9x s ALA 89 Ca 0.54 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 1m9x s ALA 89 Cb -0.40 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.29 1m9x s ALA 89 CO 0.47 -0.21 0.95 -1.25 0.00 0.00 0.00 175.76 175.72 1m9x s PRO 90 N -4.54 4.59 0.36 0.00 0.04 -1.26 -5.16 135.00 129.05 1m9x s PRO 90 Ca 0.44 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.56 1m9x s PRO 90 Cb -0.10 -2.84 -0.11 0.00 0.04 0.00 0.00 34.50 31.49 1m9x s PRO 90 CO 0.40 0.28 1.52 0.42 0.04 0.00 0.00 177.00 179.67 1m9x s ILE 91 N -1.57 2.00 0.45 0.56 1.01 -1.26 -4.98 121.20 117.41 1m9x s ILE 91 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.92 1m9x s ILE 91 Cb -0.20 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 1m9x s ILE 91 CO 0.25 0.00 1.09 0.00 0.00 0.00 0.00 174.94 176.27 1m9x s ALA 92 N -0.92 2.96 0.30 9.38 0.00 -1.26 -4.96 121.76 127.26 1m9x s ALA 92 Ca 0.55 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 1m9x s ALA 92 Cb -0.47 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.20 1m9x s ALA 92 CO 0.61 -0.41 0.86 -2.30 0.00 0.00 0.00 175.76 174.52 1m9x n PRO 93 N -0.53 1.00 0.00 0.00 -0.02 -1.26 -1.64 135.00 132.55 1m9x n PRO 93 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1m9x n PRO 93 Cb 0.50 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1m9x n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9x n GLY 94 N 1.43 1.51 3.77 -1.23 0.00 -1.26 -4.99 105.19 104.43 1m9x n GLY 94 Ca 0.11 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1m9x n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9x s GLN 95 N 0.00 3.73 -0.12 1.61 -1.52 -0.65 -5.04 119.66 117.67 1m9x s GLN 95 Ca 0.00 1.81 -0.07 0.00 -1.95 0.00 0.00 55.36 55.15 1m9x s GLN 95 Cb 0.00 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 1m9x s GLN 95 CO 0.00 -0.58 0.13 1.41 -0.25 0.00 0.00 175.29 176.00 1m9x s MET 96 N -2.69 3.44 0.84 2.91 -2.45 -1.26 -4.80 119.30 115.28 1m9x s MET 96 Ca 0.64 -0.15 -0.13 0.00 -1.25 0.00 0.00 55.69 54.80 1m9x s MET 96 Cb -0.30 -3.17 0.09 0.00 1.25 0.00 0.00 34.83 32.70 1m9x s MET 96 CO 0.36 0.76 1.14 2.89 1.05 0.00 0.00 175.02 181.21 1m9x n ARG 97 N 2.05 0.03 -2.65 4.11 1.85 -1.26 -4.97 116.66 115.81 1m9x n ARG 97 Ca -0.20 0.09 -0.40 0.00 -1.00 0.00 0.00 57.85 56.34 1m9x n ARG 97 Cb 0.55 -2.38 -0.05 0.00 -1.05 0.00 0.00 32.46 29.52 1m9x n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9x s GLU 98 N -4.16 4.77 0.30 2.89 0.41 -1.26 -5.00 118.70 116.66 1m9x s GLU 98 Ca 0.71 1.59 -0.29 0.00 -0.41 0.00 0.00 54.97 56.57 1m9x s GLU 98 Cb -0.28 -3.26 -0.10 0.00 -1.78 0.00 0.00 34.13 28.72 1m9x s GLU 98 CO 0.53 0.39 1.21 -1.25 -0.49 0.00 0.00 175.26 175.66 1m9x s PRO 99 N -1.16 4.49 0.76 0.39 0.04 -1.26 -5.04 135.00 133.22 1m9x s PRO 99 Ca 0.43 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 1m9x s PRO 99 Cb -0.28 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.24 1m9x s PRO 99 CO 0.35 -0.01 1.07 1.03 0.04 0.00 0.00 177.00 179.48 1m9x s ARG 100 N -1.56 1.73 0.15 4.56 1.81 -1.26 -4.92 118.95 119.46 1m9x s ARG 100 Ca 0.47 -0.53 -0.17 0.00 -1.72 0.00 0.00 55.73 53.78 1m9x s ARG 100 Cb -0.36 -2.15 0.03 0.00 -0.45 0.00 0.00 34.95 32.02 1m9x s ARG 100 CO 0.47 -1.54 1.73 0.78 -0.68 0.00 0.00 175.30 176.07 1m9x h GLY 101 N -0.79 0.35 2.00 -3.53 0.00 -1.91 -0.54 103.07 98.65 1m9x h GLY 101 Ca -0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1m9x h GLY 101 CO 0.50 -0.01 -0.12 1.76 0.00 0.00 0.00 176.54 178.66 1m9x h SER 102 N 0.18 0.00 -0.14 0.19 0.02 -1.95 -1.80 113.55 110.04 1m9x h SER 102 Ca 0.14 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1m9x h SER 102 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1m9x h SER 102 CO -0.18 0.12 -0.45 0.44 -1.14 0.00 0.00 176.83 175.62 1m9x h ASP 103 N 0.00 0.64 -0.33 3.07 3.32 -1.46 -1.84 116.42 119.83 1m9x h ASP 103 Ca -0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.41 1m9x h ASP 103 Cb 0.33 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1m9x h ASP 103 CO 0.02 1.13 0.10 0.40 -1.72 0.00 0.00 179.24 179.17 1m9x h ILE 104 N 0.19 1.18 -0.00 0.35 2.04 -0.79 -2.40 117.51 118.08 1m9x h ILE 104 Ca -0.02 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1m9x h ILE 104 Cb 1.08 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1m9x h ILE 104 CO 0.10 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.42 1m9x n ALA 105 N -2.47 2.70 -0.59 1.87 0.00 -0.72 -4.61 120.51 116.68 1m9x n ALA 105 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1m9x n ALA 105 Cb 0.19 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1m9x n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9x n GLY 106 N 1.20 0.96 0.16 0.00 0.00 -0.90 -4.91 105.19 101.70 1m9x n GLY 106 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1m9x n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1m9x h THR 107 N 0.00 1.35 -0.18 2.61 1.35 -1.59 -3.35 112.91 113.10 1m9x h THR 107 Ca 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1m9x h THR 107 Cb 0.00 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1m9x h THR 107 CO 0.00 0.75 0.00 0.35 -0.25 0.00 0.00 175.52 176.37 1m9x n THR 108 N -3.75 1.91 -4.31 6.82 -2.24 -1.00 -4.99 114.28 106.71 1m9x n THR 108 Ca -0.10 -1.81 -0.18 0.00 -2.27 0.00 0.00 64.05 59.69 1m9x n THR 108 Cb 0.92 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 1m9x n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9x s SER 109 N -2.01 2.34 0.68 3.42 1.04 -1.26 -4.82 113.70 113.10 1m9x s SER 109 Ca 0.34 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 1m9x s SER 109 Cb 0.27 -0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.38 1m9x s SER 109 CO 0.07 -0.20 0.95 0.42 0.98 0.00 0.00 173.24 175.47 1m9x s THR 110 N -2.90 2.29 0.05 2.02 -4.23 -1.26 -4.90 115.64 106.71 1m9x s THR 110 Ca 0.19 -0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 1m9x s THR 110 Cb -0.01 -2.75 -0.21 0.00 1.34 0.00 0.00 72.50 70.87 1m9x s THR 110 CO 0.05 0.00 1.19 0.25 -0.54 0.00 0.00 174.62 175.56 1m9x h LEU 111 N -0.43 0.76 -1.16 4.79 5.85 -1.99 -2.50 115.31 120.63 1m9x h LEU 111 Ca -0.39 -0.71 -0.06 0.00 0.84 0.00 0.00 57.88 57.55 1m9x h LEU 111 Cb 1.28 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1m9x h LEU 111 CO 0.46 1.37 -0.30 0.06 -0.34 0.00 0.00 178.44 179.69 1m9x h GLN 112 N 0.22 0.00 -0.46 1.25 3.07 -1.98 -0.63 115.11 116.58 1m9x h GLN 112 Ca -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1m9x h GLN 112 Cb 1.45 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.99 1m9x h GLN 112 CO 0.16 0.30 0.06 0.93 0.09 0.00 0.00 178.83 180.36 1m9x h GLU 113 N 0.00 0.76 -0.11 0.06 5.08 -1.93 0.32 114.58 118.76 1m9x h GLU 113 Ca -0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1m9x h GLU 113 Cb 0.75 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1m9x h GLU 113 CO 0.04 0.79 0.06 1.96 -1.00 0.00 0.00 179.01 180.85 1m9x h GLN 114 N 0.62 0.15 -0.09 2.33 4.20 -0.96 -0.57 115.11 120.79 1m9x h GLN 114 Ca 0.14 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1m9x h GLN 114 Cb 0.40 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1m9x h GLN 114 CO 0.01 0.19 -0.10 0.82 -0.67 0.00 0.00 178.83 179.08 1m9x h ILE 115 N 0.08 0.72 -0.66 2.54 2.04 -1.01 -0.97 117.51 120.24 1m9x h ILE 115 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1m9x h ILE 115 Cb 0.08 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1m9x h ILE 115 CO -0.01 0.00 0.27 1.23 0.00 0.00 0.00 178.15 179.65 1m9x h GLY 116 N -0.13 0.95 1.09 5.37 0.00 -0.03 0.25 103.07 110.58 1m9x h GLY 116 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1m9x h GLY 116 CO -0.17 -0.01 0.04 1.49 0.00 0.00 0.00 176.54 177.89 1m9x h TRP 117 N 0.46 1.18 0.00 5.60 6.55 -0.64 1.61 115.95 130.71 1m9x h TRP 117 Ca 0.34 -0.19 -0.08 0.00 0.95 0.00 0.00 58.89 59.91 1m9x h TRP 117 Cb 0.42 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.39 1m9x h TRP 117 CO -0.15 1.01 -0.38 0.52 -1.05 0.00 0.00 178.44 178.39 1m9x h MET 118 N 1.01 0.00 -0.15 0.49 2.86 -0.54 0.27 114.93 118.87 1m9x h MET 118 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1m9x h MET 118 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1m9x h MET 118 CO 0.02 0.38 0.00 0.25 1.06 0.00 0.00 176.91 178.63 1m9x n THR 119 N -3.62 1.50 -1.11 2.22 -2.24 0.82 -4.70 114.28 107.15 1m9x n THR 119 Ca -0.01 -1.50 -0.05 0.00 -2.27 0.00 0.00 64.05 60.23 1m9x n THR 119 Cb 0.49 0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.92 1m9x n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1m9x n HIS 120 N -0.46 -3.93 -3.87 4.78 -0.00 0.54 -4.94 115.22 107.35 1m9x n HIS 120 Ca 0.12 -0.20 -0.30 0.00 -0.00 0.00 0.00 57.72 57.33 1m9x n HIS 120 Cb 0.53 -0.18 -0.15 0.00 -0.00 0.00 0.00 29.99 30.19 1m9x n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1m9x s ASN 121 N -1.86 4.07 1.01 0.26 0.02 -1.26 -3.34 114.94 113.84 1m9x s ASN 121 Ca 0.13 -1.55 -0.01 0.00 -1.02 0.00 0.00 52.86 50.40 1m9x s ASN 121 Cb -0.00 -1.13 0.02 0.00 0.02 0.00 0.00 41.25 40.16 1m9x s ASN 121 CO 0.09 -0.34 0.08 -2.65 0.02 0.00 0.00 177.10 174.30 1m9x n PRO 122 N 4.66 -0.83 -2.76 -0.60 -0.02 -1.26 -5.09 135.00 129.10 1m9x n PRO 122 Ca -0.04 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 60.98 1m9x n PRO 122 Cb 0.43 -0.11 -0.06 0.00 -0.02 0.00 0.00 33.50 33.74 1m9x n PRO 122 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1m9x s PRO 123 N -3.18 4.19 -0.34 0.52 0.05 -1.21 -4.95 135.00 130.07 1m9x s PRO 123 Ca 0.05 1.10 -0.07 0.00 0.05 0.00 0.00 61.00 62.13 1m9x s PRO 123 Cb -0.00 -2.17 0.04 0.00 0.05 0.00 0.00 34.50 32.41 1m9x s PRO 123 CO 0.04 -0.07 0.11 0.42 0.05 0.00 0.00 177.00 177.55 1m9x s ILE 124 N -2.23 3.87 -1.22 0.56 1.09 0.96 -5.00 121.20 119.23 1m9x s ILE 124 Ca 0.62 -1.08 -0.13 0.00 -1.10 0.00 0.00 60.65 58.97 1m9x s ILE 124 Cb -0.09 -3.18 0.18 0.00 -1.06 0.00 0.00 42.46 38.31 1m9x s ILE 124 CO 0.15 -0.17 1.51 -0.81 -0.10 0.00 0.00 174.94 175.53 1m9x n PRO 125 N 4.83 3.44 0.22 2.79 -0.04 -1.26 -3.06 135.00 141.92 1m9x n PRO 125 Ca -0.13 -3.82 0.06 0.00 -0.04 0.00 0.00 63.50 59.57 1m9x n PRO 125 Cb 0.45 -3.00 0.48 0.00 -0.04 0.00 0.00 33.50 31.40 1m9x n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9x h VAL 126 N 4.42 1.08 -0.41 0.52 -1.51 -1.87 -1.17 116.25 117.30 1m9x h VAL 126 Ca 0.33 -0.87 -0.04 0.00 -1.23 0.00 0.00 66.70 64.89 1m9x h VAL 126 Cb 0.82 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 1m9x h VAL 126 CO 1.31 0.24 0.09 1.23 -1.23 0.00 0.00 177.57 179.21 1m9x h GLY 127 N 0.84 0.73 1.72 5.19 0.00 -1.86 -1.76 103.07 107.92 1m9x h GLY 127 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1m9x h GLY 127 CO 0.03 0.44 -0.10 0.83 0.00 0.00 0.00 176.54 177.74 1m9x h GLU 128 N 0.54 0.35 0.03 4.80 4.39 -1.51 -1.00 114.58 122.17 1m9x h GLU 128 Ca 0.13 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1m9x h GLU 128 Cb 0.34 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1m9x h GLU 128 CO 0.00 0.45 -0.02 0.82 -1.16 0.00 0.00 179.01 179.11 1m9x h ILE 129 N 0.33 1.35 -0.50 3.13 2.04 -1.11 -2.04 117.51 120.71 1m9x h ILE 129 Ca 0.07 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1m9x h ILE 129 Cb 0.38 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1m9x h ILE 129 CO 0.02 0.33 0.30 0.22 0.00 0.00 0.00 178.15 179.02 1m9x h TYR 130 N -0.63 0.56 -0.72 1.37 3.20 -1.20 -1.57 116.97 117.98 1m9x h TYR 130 Ca -0.00 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.01 1m9x h TYR 130 Cb 0.58 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1m9x h TYR 130 CO 0.12 0.33 0.48 -0.22 -1.64 0.00 0.00 178.16 177.23 1m9x h LYS 131 N 0.60 0.43 -0.34 1.82 3.64 -1.08 -0.73 116.57 120.91 1m9x h LYS 131 Ca 0.20 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1m9x h LYS 131 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1m9x h LYS 131 CO -0.09 0.28 -0.26 0.00 -2.27 0.00 0.00 179.45 177.11 1m9x h ARG 132 N 0.44 0.77 -0.51 1.90 3.08 -0.55 0.10 114.38 119.62 1m9x h ARG 132 Ca 0.34 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1m9x h ARG 132 Cb 0.73 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1m9x h ARG 132 CO -0.11 1.01 0.26 -1.49 -1.07 0.00 0.00 179.97 178.57 1m9x h TRP 133 N 0.55 0.49 -0.46 3.04 6.55 -0.90 -1.54 115.95 123.67 1m9x h TRP 133 Ca 0.06 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.95 1m9x h TRP 133 Cb 0.83 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.95 1m9x h TRP 133 CO 0.07 0.24 0.26 0.82 -1.05 0.00 0.00 178.44 178.78 1m9x h ILE 134 N 0.52 1.03 -0.82 1.49 2.04 -0.87 -0.70 117.51 120.20 1m9x h ILE 134 Ca 0.22 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1m9x h ILE 134 Cb 0.12 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1m9x h ILE 134 CO -0.15 0.10 0.50 0.40 0.00 0.00 0.00 178.15 179.00 1m9x h ILE 135 N 0.52 1.22 -0.65 -0.67 2.04 -0.73 0.28 117.51 119.53 1m9x h ILE 135 Ca 0.19 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1m9x h ILE 135 Cb 0.04 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1m9x h ILE 135 CO -0.10 0.23 0.07 -0.07 0.00 0.00 0.00 178.15 178.28 1m9x h LEU 136 N 1.12 1.06 -0.55 1.44 3.38 -0.63 -0.08 115.31 121.07 1m9x h LEU 136 Ca 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1m9x h LEU 136 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1m9x h LEU 136 CO -0.06 1.07 0.14 1.23 0.09 0.00 0.00 178.44 180.92 1m9x h GLY 137 N 1.02 0.94 1.21 0.83 0.00 0.26 -2.15 103.07 105.17 1m9x h GLY 137 Ca 0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1m9x h GLY 137 CO 0.02 0.54 0.39 1.41 0.00 0.00 0.00 176.54 178.90 1m9x h LEU 138 N 0.77 0.93 -1.31 3.11 3.38 -0.36 -1.59 115.31 120.24 1m9x h LEU 138 Ca 0.17 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1m9x h LEU 138 Cb 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1m9x h LEU 138 CO 0.00 0.76 0.50 0.78 0.09 0.00 0.00 178.44 180.57 1m9x h ASN 139 N 1.04 0.76 -0.30 -0.43 2.35 -0.73 -0.14 115.58 118.13 1m9x h ASN 139 Ca 0.26 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1m9x h ASN 139 Cb 0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1m9x h ASN 139 CO -0.04 0.50 0.15 0.50 -1.65 0.00 0.00 177.43 176.90 1m9x h LYS 140 N 0.87 0.42 -0.22 0.81 3.64 -0.68 -1.44 116.57 119.97 1m9x h LYS 140 Ca 0.32 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1m9x h LYS 140 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1m9x h LYS 140 CO -0.10 0.38 0.07 0.82 -2.27 0.00 0.00 179.45 178.35 1m9x h ILE 141 N 0.35 1.19 -0.92 2.00 2.04 -0.94 -2.53 117.51 118.70 1m9x h ILE 141 Ca 0.10 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1m9x h ILE 141 Cb 0.10 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1m9x h ILE 141 CO -0.01 0.19 0.61 0.58 0.00 0.00 0.00 178.15 179.51 1m9x h VAL 142 N 0.18 1.21 0.00 1.67 2.07 -0.89 -0.99 116.25 119.50 1m9x h VAL 142 Ca 0.07 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1m9x h VAL 142 Cb 0.22 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1m9x h VAL 142 CO -0.00 0.22 -0.39 0.08 0.02 0.00 0.00 177.57 177.50 1m9x h ARG 143 N 1.22 0.00 0.00 1.57 0.11 -1.20 0.60 114.38 116.68 1m9x h ARG 143 Ca 0.35 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.29 1m9x h ARG 143 Cb -0.10 0.00 0.01 0.00 1.11 0.00 0.00 29.97 30.99 1m9x h ARG 143 CO -0.08 0.39 -0.55 1.98 0.10 0.00 0.00 179.97 181.81 1m9x h MET 144 N 0.00 0.37 0.00 0.08 4.05 -0.83 -3.36 114.93 115.24 1m9x h MET 144 Ca -0.00 -0.40 -0.16 0.00 -0.28 0.00 0.00 59.70 58.85 1m9x h MET 144 Cb 0.85 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1m9x h MET 144 CO 0.05 1.08 -1.31 1.88 0.23 0.00 0.00 176.91 178.84 1m9x h TYR 145 N -0.17 0.00 0.00 1.39 0.05 -1.15 -3.52 116.97 113.57 1m9x h TYR 145 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1m9x h TYR 145 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1m9x h TYR 145 CO 0.15 0.58 0.00 -1.13 -1.05 0.00 0.00 178.16 176.72