#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9y s GLN 13 N 0.00 2.43 0.76 1.57 -0.21 -1.26 -5.11 119.66 117.84 1m9y s GLN 13 Ca 0.00 -0.87 -0.13 0.00 0.02 0.00 0.00 55.36 54.39 1m9y s GLN 13 Cb 0.00 -2.18 0.05 0.00 1.00 0.00 0.00 33.01 31.88 1m9y s GLN 13 CO 0.00 0.48 1.13 0.00 -2.12 0.00 0.00 175.29 174.78 1m9y s ALA 14 N -0.39 2.15 0.29 6.09 0.00 -1.26 -4.90 121.76 123.73 1m9y s ALA 14 Ca 0.03 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1m9y s ALA 14 Cb -0.12 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1m9y s ALA 14 CO 0.02 -1.83 1.54 -1.50 0.00 0.00 0.00 175.76 173.98 1m9y s ILE 15 N -2.52 2.22 0.27 0.00 1.10 -1.26 -4.94 121.20 116.07 1m9y s ILE 15 Ca 0.66 0.19 -0.29 0.00 -0.51 0.00 0.00 60.65 60.70 1m9y s ILE 15 Cb -0.21 -3.12 -0.10 0.00 0.15 0.00 0.00 42.46 39.18 1m9y s ILE 15 CO 0.50 0.03 1.32 -0.55 -2.11 0.00 0.00 174.94 174.13 1m9y s SER 16 N 0.36 6.83 0.53 4.50 0.15 -1.26 -4.95 113.70 119.87 1m9y s SER 16 Ca 0.61 2.55 0.24 0.00 0.70 0.00 0.00 55.95 60.05 1m9y s SER 16 Cb -0.46 -2.63 1.48 0.00 -1.71 0.00 0.00 66.02 62.70 1m9y s SER 16 CO 0.49 -0.53 2.15 -0.65 1.20 0.00 0.00 173.24 175.89 1m9y h PRO 17 N 4.41 0.00 -0.32 5.44 0.11 -1.99 -2.02 132.00 137.63 1m9y h PRO 17 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1m9y h PRO 17 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1m9y h PRO 17 CO 0.72 0.06 -0.26 0.00 -0.21 0.00 0.00 178.00 178.31 1m9y h ARG 18 N 0.00 0.64 -0.07 1.05 2.47 -2.00 -1.28 114.38 115.20 1m9y h ARG 18 Ca -0.00 -0.26 -0.21 0.00 -1.26 0.00 0.00 59.98 58.25 1m9y h ARG 18 Cb 0.13 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1m9y h ARG 18 CO 0.01 0.84 -0.81 1.15 0.56 0.00 0.00 179.97 181.71 1m9y h THR 19 N 0.56 1.36 -0.53 2.04 2.02 -1.78 -3.06 112.91 113.52 1m9y h THR 19 Ca 0.08 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 1m9y h THR 19 Cb 0.74 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1m9y h THR 19 CO 0.06 0.67 0.24 -0.07 0.37 0.00 0.00 175.52 176.78 1m9y h LEU 20 N 0.33 0.71 -1.09 2.58 3.38 -1.22 -2.52 115.31 117.47 1m9y h LEU 20 Ca -0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1m9y h LEU 20 Cb 1.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1m9y h LEU 20 CO 0.15 0.66 -0.17 -1.13 0.09 0.00 0.00 178.44 178.03 1m9y h ASN 21 N 0.71 0.42 -0.06 -0.43 -0.73 -1.25 -2.31 115.58 111.92 1m9y h ASN 21 Ca 0.18 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1m9y h ASN 21 Cb 0.15 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 1m9y h ASN 21 CO -0.02 0.62 -0.00 0.00 -0.37 0.00 0.00 177.43 177.66 1m9y h ALA 22 N 1.42 0.08 -0.95 1.57 0.00 -1.39 0.36 119.26 120.35 1m9y h ALA 22 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1m9y h ALA 22 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1m9y h ALA 22 CO 0.03 -0.24 0.63 2.35 0.00 0.00 0.00 179.25 182.02 1m9y h TRP 23 N -0.18 1.19 -0.33 0.00 -0.00 -1.38 0.06 115.95 115.31 1m9y h TRP 23 Ca 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1m9y h TRP 23 Cb 0.34 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 1m9y h TRP 23 CO 0.03 0.72 0.20 0.28 -0.00 0.00 0.00 178.44 179.67 1m9y h VAL 24 N 1.26 1.12 -0.90 2.65 2.07 -1.19 -1.87 116.25 119.39 1m9y h VAL 24 Ca 0.36 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1m9y h VAL 24 Cb -0.09 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1m9y h VAL 24 CO -0.09 0.12 0.55 0.11 0.02 0.00 0.00 177.57 178.28 1m9y h LYS 25 N 0.43 0.93 0.27 1.57 1.79 -0.34 -1.85 116.57 119.37 1m9y h LYS 25 Ca 0.12 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1m9y h LYS 25 Cb 0.02 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1m9y h LYS 25 CO -0.02 0.62 -0.13 0.28 -1.08 0.00 0.00 179.45 179.12 1m9y h VAL 26 N 0.96 0.77 -0.32 0.50 2.07 -0.74 -2.83 116.25 116.66 1m9y h VAL 26 Ca 0.41 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1m9y h VAL 26 Cb 0.28 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1m9y h VAL 26 CO -0.21 0.09 0.11 0.58 0.02 0.00 0.00 177.57 178.17 1m9y h VAL 27 N -0.60 1.14 -0.17 2.57 2.07 -1.21 -1.53 116.25 118.51 1m9y h VAL 27 Ca -0.04 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1m9y h VAL 27 Cb 0.43 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1m9y h VAL 27 CO 0.06 0.17 -0.40 -0.08 0.02 0.00 0.00 177.57 177.34 1m9y h GLU 28 N 0.46 0.40 0.02 1.57 4.81 -1.25 -2.83 114.58 117.75 1m9y h GLU 28 Ca 0.11 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1m9y h GLU 28 Cb 0.12 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1m9y h GLU 28 CO -0.01 0.74 -1.00 1.49 -0.73 0.00 0.00 179.01 179.49 1m9y h GLU 29 N 0.33 0.04 0.00 1.92 4.57 -1.25 -3.37 114.58 116.82 1m9y h GLU 29 Ca 0.03 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1m9y h GLU 29 Cb 0.85 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1m9y h GLU 29 CO 0.07 1.03 0.00 1.63 -1.18 0.00 0.00 179.01 180.56 1m9y n LYS 30 N -4.38 0.46 0.00 1.92 4.76 -0.60 -4.95 118.16 115.38 1m9y n LYS 30 Ca -0.26 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 1m9y n LYS 30 Cb 0.67 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1m9y n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m9y n ALA 31 N -1.22 0.00 -3.27 7.82 0.00 -1.07 -0.80 120.51 121.97 1m9y n ALA 31 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 1m9y n ALA 31 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1m9y n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9y n PHE 32 N 14.00 3.08 -3.02 0.00 3.72 -1.26 -4.75 117.46 129.23 1m9y n PHE 32 Ca 0.00 -4.03 -0.25 0.00 -0.05 0.00 0.00 57.45 53.12 1m9y n PHE 32 Cb 0.00 -0.51 -0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1m9y n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9y s SER 33 N -2.55 6.14 0.65 4.37 1.04 0.02 -4.41 113.70 118.95 1m9y s SER 33 Ca 0.41 0.57 0.28 0.00 0.48 0.00 0.00 55.95 57.69 1m9y s SER 33 Cb 0.19 -1.96 1.49 0.00 0.10 0.00 0.00 66.02 65.84 1m9y s SER 33 CO -0.06 -0.51 1.86 -0.65 0.98 0.00 0.00 173.24 174.86 1m9y h PRO 34 N 0.46 0.00 0.00 4.02 0.11 -1.92 -0.09 132.00 134.59 1m9y h PRO 34 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m9y h PRO 34 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1m9y h PRO 34 CO 0.60 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.32 1m9y h GLU 35 N 0.00 0.00 -0.56 1.05 3.07 -1.94 -2.58 114.58 113.63 1m9y h GLU 35 Ca 0.06 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 1m9y h GLU 35 Cb 0.89 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 1m9y h GLU 35 CO -0.00 0.00 0.37 -0.24 -1.40 0.00 0.00 179.01 177.74 1m9y h VAL 36 N 0.00 0.97 -0.01 3.13 3.04 -1.37 -3.19 116.25 118.81 1m9y h VAL 36 Ca 0.00 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1m9y h VAL 36 Cb 0.62 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1m9y h VAL 36 CO 0.00 0.09 -0.01 0.40 -1.01 0.00 0.00 177.57 177.04 1m9y h ILE 37 N 0.48 1.38 -0.75 3.17 2.04 -1.68 0.11 117.51 122.26 1m9y h ILE 37 Ca 0.24 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1m9y h ILE 37 Cb 0.34 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1m9y h ILE 37 CO -0.07 0.30 0.50 -0.65 0.00 0.00 0.00 178.15 178.23 1m9y h PRO 38 N -0.44 0.86 -0.34 2.37 0.11 -1.74 -1.44 132.00 131.38 1m9y h PRO 38 Ca 0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 1m9y h PRO 38 Cb 0.49 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1m9y h PRO 38 CO 0.00 0.57 -0.30 0.52 -0.21 0.00 0.00 178.00 178.58 1m9y h MET 39 N 0.88 0.80 -1.00 1.05 2.86 -1.49 -1.99 114.93 116.05 1m9y h MET 39 Ca 0.31 -0.41 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1m9y h MET 39 Cb 0.11 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.70 1m9y h MET 39 CO -0.09 1.04 0.64 0.35 1.06 0.00 0.00 176.91 179.90 1m9y h PHE 40 N 0.58 1.18 -0.03 -0.22 3.57 -0.22 -1.44 116.94 120.36 1m9y h PHE 40 Ca 0.06 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 1m9y h PHE 40 Cb 0.87 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1m9y h PHE 40 CO 0.07 0.54 -0.51 0.77 -2.23 0.00 0.00 178.31 176.95 1m9y h SER 41 N 1.09 0.07 0.45 0.41 0.02 -0.65 -2.30 113.55 112.64 1m9y h SER 41 Ca 0.46 -0.04 -0.27 0.00 -0.84 0.00 0.00 61.79 61.10 1m9y h SER 41 Cb 0.32 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1m9y h SER 41 CO -0.22 0.57 -1.20 0.00 -1.14 0.00 0.00 176.83 174.85 1m9y h ALA 42 N 1.43 0.12 0.00 3.77 0.00 -0.81 -3.16 119.26 120.61 1m9y h ALA 42 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1m9y h ALA 42 Cb 0.92 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1m9y h ALA 42 CO 0.07 0.86 0.00 1.28 0.00 0.00 0.00 179.25 181.46 1m9y n LEU 43 N -3.64 0.47 -0.80 0.00 4.77 -0.59 -3.29 117.00 113.92 1m9y n LEU 43 Ca -0.10 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 1m9y n LEU 43 Cb 0.98 -0.47 0.24 0.00 -2.33 0.00 0.00 43.42 41.84 1m9y n LEU 43 CO 0.55 -0.28 0.69 -1.54 -1.33 0.00 0.00 177.39 175.47 1m9y n SER 44 N -1.98 3.68 -4.68 -1.43 3.41 -0.88 -4.98 113.62 106.77 1m9y n SER 44 Ca 0.04 -2.95 -0.42 0.00 -0.26 0.00 0.00 58.87 55.28 1m9y n SER 44 Cb 0.30 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1m9y n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9y s GLU 45 N -2.70 4.14 -0.03 4.33 2.02 -1.21 -1.93 118.70 123.31 1m9y s GLU 45 Ca 0.40 2.62 0.00 0.00 0.02 0.00 0.00 54.97 58.01 1m9y s GLU 45 Cb 0.32 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.66 1m9y s GLU 45 CO 0.09 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.87 1m9y n GLY 46 N 4.41 0.46 3.77 -1.39 0.00 -1.26 -4.95 105.19 106.23 1m9y n GLY 46 Ca 0.19 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1m9y n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9y s ALA 47 N -1.93 3.39 0.58 4.61 0.00 -0.81 -5.00 121.76 122.60 1m9y s ALA 47 Ca 0.00 1.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1m9y s ALA 47 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1m9y s ALA 47 CO 0.00 -0.81 0.91 0.95 0.00 0.00 0.00 175.76 176.81 1m9y s THR 48 N -1.19 4.05 0.37 0.00 -4.23 -1.26 -4.35 115.64 109.03 1m9y s THR 48 Ca 0.53 0.20 0.14 0.00 -1.18 0.00 0.00 61.69 61.38 1m9y s THR 48 Cb -0.40 -3.60 0.36 0.00 1.34 0.00 0.00 72.50 70.20 1m9y s THR 48 CO 0.53 -0.65 1.79 -0.65 -0.54 0.00 0.00 174.62 175.10 1m9y h PRO 49 N -0.15 0.50 -0.90 3.99 0.11 -1.86 -0.48 132.00 133.22 1m9y h PRO 49 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1m9y h PRO 49 Cb 1.24 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1m9y h PRO 49 CO 0.61 0.33 0.49 0.37 -0.21 0.00 0.00 178.00 179.60 1m9y h GLN 50 N 0.52 1.25 -0.31 1.05 4.15 -1.90 -1.96 115.11 117.91 1m9y h GLN 50 Ca 0.56 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.78 1m9y h GLN 50 Cb 1.22 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1m9y h GLN 50 CO -0.30 0.92 -0.00 -0.44 -1.93 0.00 0.00 178.83 177.07 1m9y h ASP 51 N 1.26 0.55 -0.97 -0.69 3.32 -1.49 -1.87 116.42 116.51 1m9y h ASP 51 Ca 0.32 -0.31 0.09 0.00 0.02 0.00 0.00 57.03 57.15 1m9y h ASP 51 Cb 0.03 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.36 1m9y h ASP 51 CO -0.05 0.72 0.61 -0.07 -1.72 0.00 0.00 179.24 178.74 1m9y h LEU 52 N 0.35 0.93 -0.57 1.55 3.38 -1.17 -1.04 115.31 118.75 1m9y h LEU 52 Ca 0.09 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1m9y h LEU 52 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1m9y h LEU 52 CO 0.02 0.54 -0.30 0.78 0.09 0.00 0.00 178.44 179.58 1m9y h ASN 53 N 1.04 0.86 -0.69 -0.43 2.35 -1.15 -1.40 115.58 116.16 1m9y h ASN 53 Ca 0.45 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1m9y h ASN 53 Cb 0.33 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1m9y h ASN 53 CO -0.22 1.10 0.18 0.71 -1.65 0.00 0.00 177.43 177.55 1m9y h THR 54 N 0.71 1.26 -0.81 2.81 1.35 -0.95 0.62 112.91 117.90 1m9y h THR 54 Ca 0.08 -0.94 0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1m9y h THR 54 Cb 0.84 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1m9y h THR 54 CO 0.07 0.36 0.53 0.24 -0.25 0.00 0.00 175.52 176.48 1m9y h MET 55 N 1.05 1.05 -0.04 4.72 2.86 -1.01 -2.66 114.93 120.91 1m9y h MET 55 Ca 0.22 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1m9y h MET 55 Cb 0.35 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1m9y h MET 55 CO -0.00 0.69 -0.48 -0.07 1.06 0.00 0.00 176.91 178.11 1m9y h LEU 56 N 1.08 0.09 -0.62 1.22 3.38 -0.14 -3.26 115.31 117.07 1m9y h LEU 56 Ca 0.30 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 1m9y h LEU 56 Cb -0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1m9y h LEU 56 CO -0.07 0.57 -0.10 0.78 0.09 0.00 0.00 178.44 179.70 1m9y h ASN 57 N 0.07 0.98 -0.10 -0.43 2.35 -0.58 -2.40 115.58 115.47 1m9y h ASN 57 Ca 0.00 -0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 1m9y h ASN 57 Cb 0.88 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1m9y h ASN 57 CO 0.07 1.09 0.11 0.00 -1.65 0.00 0.00 177.43 177.05 1m9y h THR 58 N 0.88 0.53 -2.62 2.81 1.03 -1.54 -3.40 112.91 110.59 1m9y h THR 58 Ca 0.14 0.00 -0.54 0.00 -0.01 0.00 0.00 66.41 66.00 1m9y h THR 58 Cb 0.65 0.91 -0.05 0.00 -1.07 0.00 0.00 68.15 68.60 1m9y h THR 58 CO 0.05 0.00 1.19 -0.69 -0.01 0.00 0.00 175.52 176.06 1m9y s VAL 59 N -4.67 3.63 0.18 0.00 1.01 -0.90 -5.00 120.40 114.65 1m9y s VAL 59 Ca -0.05 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1m9y s VAL 59 Cb 0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1m9y s VAL 59 CO 0.56 -0.94 0.25 -0.83 0.00 0.00 0.00 175.10 174.14 1m9y s GLY 60 N 5.60 1.59 -0.05 4.51 0.00 -1.26 -4.66 107.32 113.04 1m9y s GLY 60 Ca 0.62 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1m9y s GLY 60 CO 0.26 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1m9y n GLY 61 N -0.72 0.40 2.68 0.20 0.00 -1.26 -4.89 105.19 101.61 1m9y n GLY 61 Ca -0.08 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1m9y n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9y n HIS 62 N -3.14 0.84 -0.21 1.61 8.25 -1.26 -5.02 115.22 116.28 1m9y n HIS 62 Ca -0.00 -2.64 -0.01 0.00 -0.26 0.00 0.00 57.72 54.80 1m9y n HIS 62 Cb 0.09 -0.18 0.10 0.00 1.12 0.00 0.00 29.99 31.11 1m9y n HIS 62 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1m9y h GLN 63 N 2.86 0.56 -0.25 -0.41 5.75 -1.92 -1.43 115.11 120.28 1m9y h GLN 63 Ca -0.12 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1m9y h GLN 63 Cb 1.20 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1m9y h GLN 63 CO 0.41 0.37 0.07 0.00 -2.65 0.00 0.00 178.83 177.03 1m9y h ALA 64 N 1.36 0.33 -0.91 3.38 0.00 -1.99 -0.96 119.26 120.47 1m9y h ALA 64 Ca 0.29 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1m9y h ALA 64 Cb 0.25 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1m9y h ALA 64 CO -0.22 -0.02 0.56 0.00 0.00 0.00 0.00 179.25 179.57 1m9y h ALA 65 N 0.89 1.29 -0.05 0.00 0.00 -1.94 -2.05 119.26 117.40 1m9y h ALA 65 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1m9y h ALA 65 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1m9y h ALA 65 CO 0.00 0.25 -0.29 0.52 0.00 0.00 0.00 179.25 179.73 1m9y h MET 66 N 0.96 0.08 0.00 0.00 2.07 -0.97 -1.24 114.93 115.84 1m9y h MET 66 Ca 0.42 -0.03 -0.15 0.00 -2.07 0.00 0.00 59.70 57.87 1m9y h MET 66 Cb 0.29 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 1m9y h MET 66 CO -0.21 0.37 -0.74 0.37 1.07 0.00 0.00 176.91 177.77 1m9y h GLN 67 N 0.08 0.00 -0.42 1.72 5.75 -0.79 -0.80 115.11 120.65 1m9y h GLN 67 Ca 0.01 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 1m9y h GLN 67 Cb 0.56 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1m9y h GLN 67 CO 0.04 0.74 -0.24 0.52 -2.65 0.00 0.00 178.83 177.24 1m9y h MET 68 N 0.00 0.86 0.00 1.69 2.86 -0.60 -1.61 114.93 118.13 1m9y h MET 68 Ca -0.01 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1m9y h MET 68 Cb 1.41 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.04 1m9y h MET 68 CO 0.10 1.00 -0.00 1.25 1.06 0.00 0.00 176.91 180.32 1m9y h LEU 69 N 0.74 -0.00 -1.50 1.22 5.85 -0.95 -2.20 115.31 118.48 1m9y h LEU 69 Ca 0.10 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1m9y h LEU 69 Cb 0.78 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1m9y h LEU 69 CO 0.06 0.16 0.41 0.11 -0.34 0.00 0.00 178.44 178.85 1m9y h LYS 70 N -0.17 0.60 -0.53 1.25 1.57 -1.07 -0.26 116.57 117.97 1m9y h LYS 70 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1m9y h LYS 70 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1m9y h LYS 70 CO 0.00 0.40 0.29 0.93 -0.57 0.00 0.00 179.45 180.50 1m9y h GLU 71 N 0.62 0.73 -0.41 3.15 5.08 -0.98 -0.14 114.58 122.62 1m9y h GLU 71 Ca 0.27 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1m9y h GLU 71 Cb 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1m9y h GLU 71 CO -0.08 0.56 0.24 1.15 -1.00 0.00 0.00 179.01 179.88 1m9y h THR 72 N 0.70 1.14 -0.52 1.13 2.02 -0.74 -1.15 112.91 115.49 1m9y h THR 72 Ca 0.19 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1m9y h THR 72 Cb 0.04 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1m9y h THR 72 CO -0.03 0.15 0.25 0.40 0.37 0.00 0.00 175.52 176.65 1m9y h ILE 73 N 0.54 0.93 -0.53 3.11 2.04 -0.91 0.74 117.51 123.42 1m9y h ILE 73 Ca 0.15 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1m9y h ILE 73 Cb 0.03 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1m9y h ILE 73 CO -0.03 0.09 0.12 0.78 0.00 0.00 0.00 178.15 179.12 1m9y h ASN 74 N 0.48 0.76 -0.08 1.72 -0.26 -0.76 0.03 115.58 117.47 1m9y h ASN 74 Ca 0.23 -0.14 -0.09 0.00 -0.56 0.00 0.00 56.30 55.75 1m9y h ASN 74 Cb 0.17 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1m9y h ASN 74 CO -0.18 0.75 -0.30 -0.33 -1.06 0.00 0.00 177.43 176.31 1m9y h GLU 75 N 0.78 0.35 -0.86 0.81 5.08 -0.70 -1.44 114.58 118.60 1m9y h GLU 75 Ca 0.17 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1m9y h GLU 75 Cb 0.30 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1m9y h GLU 75 CO -0.00 0.90 0.52 0.93 -1.00 0.00 0.00 179.01 180.36 1m9y h GLU 76 N -0.13 1.16 -0.33 2.33 4.39 -0.49 -1.95 114.58 119.56 1m9y h GLU 76 Ca -0.01 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1m9y h GLU 76 Cb 0.94 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1m9y h GLU 76 CO 0.06 0.80 -0.30 0.00 -1.16 0.00 0.00 179.01 178.42 1m9y h ALA 77 N 1.40 0.48 -0.44 3.43 0.00 -0.94 0.22 119.26 123.41 1m9y h ALA 77 Ca 0.31 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1m9y h ALA 77 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1m9y h ALA 77 CO -0.06 0.51 0.29 0.00 0.00 0.00 0.00 179.25 179.99 1m9y h ALA 78 N 0.74 1.75 -0.16 0.00 0.00 -1.10 -2.29 119.26 118.20 1m9y h ALA 78 Ca 0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1m9y h ALA 78 Cb 0.87 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1m9y h ALA 78 CO 0.08 0.22 -0.60 1.49 0.00 0.00 0.00 179.25 180.43 1m9y h GLU 79 N 0.54 0.69 -0.27 0.00 4.57 -0.86 -1.09 114.58 118.15 1m9y h GLU 79 Ca 0.17 -0.53 0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1m9y h GLU 79 Cb 0.02 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 1m9y h GLU 79 CO -0.04 1.14 -0.10 2.35 -1.18 0.00 0.00 179.01 181.19 1m9y h TRP 80 N 0.37 -0.23 -0.92 0.92 2.91 -0.34 -0.99 115.95 117.67 1m9y h TRP 80 Ca -0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1m9y h TRP 80 Cb 1.23 0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.98 1m9y h TRP 80 CO 0.10 -0.16 0.59 -0.44 -1.03 0.00 0.00 178.44 177.50 1m9y h ASP 81 N -0.05 1.08 -0.78 2.65 3.32 -1.18 -1.63 116.42 119.83 1m9y h ASP 81 Ca 0.14 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1m9y h ASP 81 Cb 0.25 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1m9y h ASP 81 CO -0.31 0.80 0.49 -0.09 -1.72 0.00 0.00 179.24 178.42 1m9y h ARG 82 N 1.26 0.92 -0.29 3.56 2.43 -0.29 -2.82 114.38 119.14 1m9y h ARG 82 Ca 0.34 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1m9y h ARG 82 Cb -0.11 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.23 1m9y h ARG 82 CO -0.07 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 1m9y n LEU 83 N -4.62 2.14 -3.35 3.80 4.77 -0.46 -4.60 117.00 114.66 1m9y n LEU 83 Ca 0.10 -0.97 -0.24 0.00 -0.03 0.00 0.00 56.01 54.87 1m9y n LEU 83 Cb 0.11 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1m9y n LEU 83 CO 0.33 0.48 -0.25 -1.00 -1.33 0.00 0.00 177.39 175.62 1m9y s HIS 84 N -1.62 0.46 0.65 -1.77 3.76 -0.73 -5.06 115.29 110.97 1m9y s HIS 84 Ca 0.32 -1.66 -0.16 0.00 -0.15 0.00 0.00 55.06 53.41 1m9y s HIS 84 Cb 0.17 -0.70 -0.00 0.00 1.11 0.00 0.00 32.58 33.16 1m9y s HIS 84 CO 0.24 -0.90 1.15 -2.14 -0.85 0.00 0.00 174.74 172.25 1m9y s PRO 85 N 0.71 2.74 0.39 8.40 0.02 -1.26 -4.78 135.00 141.23 1m9y s PRO 85 Ca 0.25 1.57 -0.22 0.00 0.02 0.00 0.00 61.00 62.62 1m9y s PRO 85 Cb -0.08 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 1m9y s PRO 85 CO -0.09 -1.33 0.92 0.14 -0.33 0.00 0.00 177.00 176.32 1m9y s VAL 86 N -2.08 4.38 0.54 3.83 -7.23 -1.26 -5.02 120.40 113.55 1m9y s VAL 86 Ca 0.71 1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 62.19 1m9y s VAL 86 Cb -0.24 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 1m9y s VAL 86 CO 0.39 -0.18 1.22 0.00 -0.31 0.00 0.00 175.10 176.22 1m9y s ALA 87 N -2.01 2.75 0.27 1.32 0.00 -1.26 -4.95 121.76 117.88 1m9y s ALA 87 Ca 0.58 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 53.28 1m9y s ALA 87 Cb -0.12 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 1m9y s ALA 87 CO 0.16 -1.03 1.56 0.00 0.00 0.00 0.00 175.76 176.46 1m9y n ALA 88 N -1.09 2.21 -2.70 0.00 0.00 -1.26 -5.01 120.51 112.65 1m9y n ALA 88 Ca 0.11 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.69 1m9y n ALA 88 Cb 0.48 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1m9y n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9y s ALA 89 N 0.10 3.74 0.21 0.00 0.00 -1.26 -4.60 121.76 119.93 1m9y s ALA 89 Ca 0.66 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1m9y s ALA 89 Cb -0.54 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1m9y s ALA 89 CO 0.47 0.09 0.88 -1.25 0.00 0.00 0.00 175.76 175.95 1m9y s PRO 90 N -4.09 4.74 0.49 0.00 0.04 -1.26 -5.15 135.00 129.76 1m9y s PRO 90 Ca 0.39 1.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.59 1m9y s PRO 90 Cb -0.10 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1m9y s PRO 90 CO 0.34 0.52 1.07 -1.50 0.04 0.00 0.00 177.00 177.47 1m9y s ILE 91 N -1.10 3.59 0.34 0.56 1.10 -1.26 -4.98 121.20 119.44 1m9y s ILE 91 Ca 0.39 1.03 -0.26 0.00 -0.51 0.00 0.00 60.65 61.29 1m9y s ILE 91 Cb -0.25 -3.43 -0.09 0.00 0.15 0.00 0.00 42.46 38.83 1m9y s ILE 91 CO 0.30 -0.18 1.04 0.00 -2.11 0.00 0.00 174.94 173.98 1m9y s ALA 92 N -1.87 3.22 0.55 1.50 0.00 -1.26 -4.96 121.76 118.94 1m9y s ALA 92 Ca 0.67 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.15 1m9y s ALA 92 Cb -0.20 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1m9y s ALA 92 CO 0.23 -0.09 0.83 -2.30 0.00 0.00 0.00 175.76 174.44 1m9y n PRO 93 N 0.54 0.87 0.00 0.00 -0.02 -1.26 -1.69 135.00 133.44 1m9y n PRO 93 Ca 0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1m9y n PRO 93 Cb 0.48 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1m9y n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9y n GLY 94 N 1.42 1.17 3.89 -1.23 0.00 -1.26 -4.98 105.19 104.21 1m9y n GLY 94 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1m9y n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m9y s GLN 95 N 0.00 3.25 0.34 1.61 0.74 -0.68 -5.09 119.66 119.83 1m9y s GLN 95 Ca 0.00 0.47 0.09 0.00 0.05 0.00 0.00 55.36 55.97 1m9y s GLN 95 Cb 0.00 -2.13 -0.07 0.00 1.10 0.00 0.00 33.01 31.92 1m9y s GLN 95 CO 0.00 -0.69 -0.07 0.00 -0.55 0.00 0.00 175.29 173.98 1m9y s MET 96 N -5.15 1.78 0.73 1.67 0.23 -1.26 -4.76 119.30 112.54 1m9y s MET 96 Ca 0.55 -1.93 -0.16 0.00 -1.03 0.00 0.00 55.69 53.12 1m9y s MET 96 Cb -0.11 -1.57 0.03 0.00 -1.53 0.00 0.00 34.83 31.64 1m9y s MET 96 CO 0.51 0.09 1.14 2.89 -2.03 0.00 0.00 175.02 177.61 1m9y n ARG 97 N -0.78 0.59 -2.86 3.16 1.85 -1.26 -4.97 116.66 112.39 1m9y n ARG 97 Ca -0.05 0.26 -0.37 0.00 -1.00 0.00 0.00 57.85 56.69 1m9y n ARG 97 Cb 0.64 -2.38 -0.06 0.00 -1.05 0.00 0.00 32.46 29.60 1m9y n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9y s GLU 98 N -3.58 4.53 0.29 2.89 0.41 -1.26 -4.98 118.70 116.99 1m9y s GLU 98 Ca 0.76 1.23 -0.29 0.00 -0.41 0.00 0.00 54.97 56.26 1m9y s GLU 98 Cb -0.34 -2.88 -0.10 0.00 -1.78 0.00 0.00 34.13 29.03 1m9y s GLU 98 CO 0.47 0.34 1.19 -1.25 -0.49 0.00 0.00 175.26 175.53 1m9y s PRO 99 N -1.91 4.51 0.79 0.39 0.04 -1.26 -5.05 135.00 132.51 1m9y s PRO 99 Ca 0.47 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.38 1m9y s PRO 99 Cb -0.19 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1m9y s PRO 99 CO 0.24 0.02 1.14 1.03 0.04 0.00 0.00 177.00 179.46 1m9y s ARG 100 N -1.38 1.79 0.16 4.56 1.81 -1.26 -4.93 118.95 119.69 1m9y s ARG 100 Ca 0.47 -0.19 -0.17 0.00 -1.72 0.00 0.00 55.73 54.13 1m9y s ARG 100 Cb -0.35 -2.03 0.08 0.00 -0.45 0.00 0.00 34.95 32.20 1m9y s ARG 100 CO 0.45 -1.61 1.69 0.78 -0.68 0.00 0.00 175.30 175.93 1m9y h GLY 101 N -0.97 0.33 2.00 -3.53 0.00 -1.92 0.01 103.07 98.99 1m9y h GLY 101 Ca -0.45 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1m9y h GLY 101 CO 0.57 -0.10 -0.04 1.48 0.00 0.00 0.00 176.54 178.45 1m9y h SER 102 N 0.06 0.00 0.07 0.19 4.64 -1.96 -1.56 113.55 115.00 1m9y h SER 102 Ca 0.18 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.21 1m9y h SER 102 Cb 0.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1m9y h SER 102 CO -0.32 0.04 -1.16 0.44 -0.87 0.00 0.00 176.83 174.97 1m9y h ASP 103 N 0.00 0.89 -0.27 4.97 3.32 -1.38 -2.08 116.42 121.87 1m9y h ASP 103 Ca -0.00 -0.79 -0.05 0.00 0.02 0.00 0.00 57.03 56.21 1m9y h ASP 103 Cb 0.48 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1m9y h ASP 103 CO 0.01 1.58 0.01 0.40 -1.72 0.00 0.00 179.24 179.51 1m9y h ILE 104 N 0.32 1.21 -0.00 0.35 2.04 -0.43 -2.24 117.51 118.75 1m9y h ILE 104 Ca -0.17 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1m9y h ILE 104 Cb 1.82 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1m9y h ILE 104 CO 0.22 0.29 -0.07 0.00 0.00 0.00 0.00 178.15 178.59 1m9y n ALA 105 N -2.48 2.68 -1.53 1.87 0.00 -0.66 -4.60 120.51 115.79 1m9y n ALA 105 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 1m9y n ALA 105 Cb 0.25 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1m9y n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9y n GLY 106 N 1.27 0.46 0.10 0.00 0.00 -0.84 -4.91 105.19 101.27 1m9y n GLY 106 Ca 0.15 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1m9y n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m9y n THR 107 N -3.39 1.41 -0.19 2.61 -2.24 -0.82 -4.56 114.28 107.11 1m9y n THR 107 Ca -0.04 -0.83 0.04 0.00 -2.27 0.00 0.00 64.05 60.96 1m9y n THR 107 Cb 0.30 -0.60 0.12 0.00 -2.10 0.00 0.00 70.33 68.05 1m9y n THR 107 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1m9y n THR 108 N -2.82 1.08 -4.55 4.28 -2.24 -1.12 -5.01 114.28 103.90 1m9y n THR 108 Ca -0.33 -1.07 -0.27 0.00 -2.27 0.00 0.00 64.05 60.11 1m9y n THR 108 Cb 1.14 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1m9y n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9y s SER 109 N -1.09 3.85 0.43 3.42 1.04 -1.26 -4.87 113.70 115.22 1m9y s SER 109 Ca 0.18 -1.26 0.08 0.00 0.48 0.00 0.00 55.95 55.42 1m9y s SER 109 Cb 0.10 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1m9y s SER 109 CO 0.11 -0.33 0.37 0.42 0.98 0.00 0.00 173.24 174.78 1m9y s THR 110 N -2.65 2.56 0.20 2.02 -4.23 -1.26 -4.93 115.64 107.35 1m9y s THR 110 Ca 0.34 -1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1m9y s THR 110 Cb 0.06 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.99 1m9y s THR 110 CO 0.18 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 176.12 1m9y h LEU 111 N 1.04 0.88 0.18 4.79 5.85 -2.00 0.33 115.31 126.38 1m9y h LEU 111 Ca -0.41 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.01 1m9y h LEU 111 Cb 1.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1m9y h LEU 111 CO 0.58 1.05 -0.28 1.56 -0.34 0.00 0.00 178.44 181.02 1m9y h GLN 112 N 0.77 -0.51 0.17 1.25 7.50 -1.99 0.18 115.11 122.48 1m9y h GLN 112 Ca 0.11 0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.29 1m9y h GLN 112 Cb 0.72 0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 1m9y h GLN 112 CO 0.06 -0.34 -0.12 0.93 -1.50 0.00 0.00 178.83 177.85 1m9y h GLU 113 N -0.53 -0.29 -0.50 1.46 5.08 -1.89 -0.73 114.58 117.17 1m9y h GLU 113 Ca 0.02 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1m9y h GLU 113 Cb 0.53 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 1m9y h GLU 113 CO -0.12 -0.19 -0.37 1.96 -1.00 0.00 0.00 179.01 179.28 1m9y h GLN 114 N -0.30 -0.22 -0.86 2.33 4.20 -0.09 -1.19 115.11 118.98 1m9y h GLN 114 Ca -0.01 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1m9y h GLN 114 Cb 0.26 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1m9y h GLN 114 CO -0.00 -0.15 0.52 0.82 -0.67 0.00 0.00 178.83 179.35 1m9y h ILE 115 N -0.23 0.99 -0.59 2.54 2.04 -0.34 -2.65 117.51 119.27 1m9y h ILE 115 Ca 0.19 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1m9y h ILE 115 Cb 0.56 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1m9y h ILE 115 CO -0.63 0.17 0.08 1.23 0.00 0.00 0.00 178.15 179.00 1m9y h GLY 116 N 0.91 1.05 1.47 5.37 0.00 0.01 -1.05 103.07 110.82 1m9y h GLY 116 Ca 0.39 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1m9y h GLY 116 CO -0.20 0.63 0.18 1.49 0.00 0.00 0.00 176.54 178.64 1m9y h TRP 117 N 0.91 0.68 0.00 5.60 6.55 -1.03 -0.71 115.95 127.95 1m9y h TRP 117 Ca 0.18 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1m9y h TRP 117 Cb 0.42 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 1m9y h TRP 117 CO 0.03 0.54 -0.01 0.52 -1.05 0.00 0.00 178.44 178.47 1m9y h MET 118 N 0.68 0.00 0.01 0.49 2.86 -1.07 1.22 114.93 119.12 1m9y h MET 118 Ca 0.16 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.39 1m9y h MET 118 Cb 0.15 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1m9y h MET 118 CO -0.02 0.00 -2.39 0.25 1.06 0.00 0.00 176.91 175.82 1m9y n THR 119 N -2.92 1.53 -1.29 2.22 -2.24 -0.45 -4.84 114.28 106.29 1m9y n THR 119 Ca 0.04 -0.44 -0.44 0.00 -2.27 0.00 0.00 64.05 60.94 1m9y n THR 119 Cb 0.51 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 1m9y n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1m9y n HIS 120 N -3.85 -0.59 -3.25 4.78 -0.00 -0.33 -4.71 115.22 107.27 1m9y n HIS 120 Ca -0.48 0.87 -0.44 0.00 -0.00 0.00 0.00 57.72 57.66 1m9y n HIS 120 Cb 0.92 -1.80 -0.07 0.00 -0.00 0.00 0.00 29.99 29.05 1m9y n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1m9y s ASN 121 N -0.92 6.19 0.57 0.26 3.04 -1.26 0.16 114.94 122.97 1m9y s ASN 121 Ca 0.59 -1.16 -0.07 0.00 0.04 0.00 0.00 52.86 52.26 1m9y s ASN 121 Cb -0.84 -2.25 -0.01 0.00 -1.54 0.00 0.00 41.25 36.62 1m9y s ASN 121 CO 0.52 -0.81 0.91 -2.84 -3.04 0.00 0.00 177.10 171.84 1m9y s PRO 122 N 2.20 3.21 0.66 0.43 0.02 -1.26 -5.13 135.00 135.13 1m9y s PRO 122 Ca 0.10 0.23 -0.13 0.00 0.02 0.00 0.00 61.00 61.22 1m9y s PRO 122 Cb -0.22 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1m9y s PRO 122 CO 0.09 -0.57 1.06 -1.25 -0.33 0.00 0.00 177.00 176.01 1m9y s PRO 123 N -4.99 3.04 -0.49 5.54 0.05 0.41 -5.00 135.00 133.56 1m9y s PRO 123 Ca 0.53 1.09 -0.15 0.00 0.05 0.00 0.00 61.00 62.52 1m9y s PRO 123 Cb -0.11 -2.00 0.10 0.00 0.05 0.00 0.00 34.50 32.54 1m9y s PRO 123 CO 0.47 -1.03 0.42 0.42 0.05 0.00 0.00 177.00 177.34 1m9y s ILE 124 N -2.76 5.08 -1.28 0.56 -1.09 0.42 -5.01 121.20 117.12 1m9y s ILE 124 Ca 0.61 -1.31 -0.14 0.00 -2.23 0.00 0.00 60.65 57.58 1m9y s ILE 124 Cb -0.15 -4.15 0.12 0.00 -1.58 0.00 0.00 42.46 36.70 1m9y s ILE 124 CO 0.47 -0.70 1.71 -0.81 -1.23 0.00 0.00 174.94 174.38 1m9y n PRO 125 N 5.18 3.29 -0.19 2.79 -0.04 -1.26 -3.23 135.00 141.55 1m9y n PRO 125 Ca -0.13 -3.45 -0.01 0.00 -0.04 0.00 0.00 63.50 59.87 1m9y n PRO 125 Cb 0.42 -3.20 0.21 0.00 -0.04 0.00 0.00 33.50 30.90 1m9y n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9y h VAL 126 N 4.69 1.21 -0.42 0.52 -1.51 -1.87 -0.82 116.25 118.06 1m9y h VAL 126 Ca 0.41 -0.56 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1m9y h VAL 126 Cb 0.80 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 1m9y h VAL 126 CO 1.46 0.24 0.21 1.23 -1.23 0.00 0.00 177.57 179.48 1m9y h GLY 127 N 1.00 0.64 1.13 5.19 0.00 -1.87 -1.75 103.07 107.42 1m9y h GLY 127 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1m9y h GLY 127 CO -0.03 0.29 0.32 0.83 0.00 0.00 0.00 176.54 177.95 1m9y h GLU 128 N 0.53 1.11 0.38 4.80 4.39 -1.64 -0.86 114.58 123.30 1m9y h GLU 128 Ca 0.14 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1m9y h GLU 128 Cb 0.10 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1m9y h GLU 128 CO -0.02 0.88 -0.18 0.82 -1.16 0.00 0.00 179.01 179.35 1m9y h ILE 129 N 1.09 0.61 -0.83 3.13 2.04 -0.97 -2.17 117.51 120.40 1m9y h ILE 129 Ca 0.26 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.86 1m9y h ILE 129 Cb 0.17 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1m9y h ILE 129 CO -0.03 0.07 0.45 0.22 0.00 0.00 0.00 178.15 178.86 1m9y h TYR 130 N -0.74 0.80 -0.61 1.37 3.20 -1.31 -1.36 116.97 118.33 1m9y h TYR 130 Ca -0.05 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1m9y h TYR 130 Cb 0.51 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1m9y h TYR 130 CO -0.00 0.26 0.41 -0.22 -1.64 0.00 0.00 178.16 176.97 1m9y h LYS 131 N 0.70 0.72 -0.03 1.82 3.64 -0.97 -0.38 116.57 122.07 1m9y h LYS 131 Ca 0.43 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.59 1m9y h LYS 131 Cb 0.51 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1m9y h LYS 131 CO -0.31 0.48 -0.74 -0.09 -2.27 0.00 0.00 179.45 176.52 1m9y h ARG 132 N 0.74 0.23 -0.60 1.90 2.43 -0.61 -1.01 114.38 117.47 1m9y h ARG 132 Ca 0.24 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1m9y h ARG 132 Cb 0.05 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1m9y h ARG 132 CO -0.06 0.87 0.31 -1.49 -1.51 0.00 0.00 179.97 178.09 1m9y h TRP 133 N 0.15 0.85 -0.49 2.20 6.55 -0.78 -1.88 115.95 122.54 1m9y h TRP 133 Ca -0.03 -0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.83 1m9y h TRP 133 Cb 1.31 -0.27 -0.05 0.00 -0.86 0.00 0.00 29.16 29.30 1m9y h TRP 133 CO 0.03 0.63 0.23 0.82 -1.05 0.00 0.00 178.44 179.10 1m9y h ILE 134 N 0.82 0.93 -0.37 1.49 2.04 -0.93 -1.55 117.51 119.94 1m9y h ILE 134 Ca 0.21 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 1m9y h ILE 134 Cb 0.08 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1m9y h ILE 134 CO -0.03 0.08 -0.28 0.40 0.00 0.00 0.00 178.15 178.32 1m9y h ILE 135 N 0.46 1.28 -0.87 -0.67 2.04 -0.90 -0.18 117.51 118.66 1m9y h ILE 135 Ca 0.22 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1m9y h ILE 135 Cb 0.15 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1m9y h ILE 135 CO -0.17 0.47 0.46 -0.07 0.00 0.00 0.00 178.15 178.84 1m9y h LEU 136 N 0.67 1.10 -0.59 1.44 3.38 -0.97 0.35 115.31 120.69 1m9y h LEU 136 Ca 0.08 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1m9y h LEU 136 Cb 0.81 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1m9y h LEU 136 CO 0.07 0.89 -0.01 1.23 0.09 0.00 0.00 178.44 180.71 1m9y h GLY 137 N 1.22 1.13 1.52 0.83 0.00 -0.56 -2.03 103.07 105.19 1m9y h GLY 137 Ca 0.30 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1m9y h GLY 137 CO -0.05 0.78 0.11 1.41 0.00 0.00 0.00 176.54 178.79 1m9y h LEU 138 N 0.95 0.56 -0.91 3.11 3.38 -0.70 -1.11 115.31 120.59 1m9y h LEU 138 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1m9y h LEU 138 Cb 0.57 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1m9y h LEU 138 CO 0.03 0.55 0.58 0.78 0.09 0.00 0.00 178.44 180.47 1m9y h ASN 139 N 0.60 1.07 -0.53 -0.43 2.35 -0.61 0.04 115.58 118.07 1m9y h ASN 139 Ca 0.14 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1m9y h ASN 139 Cb 0.21 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1m9y h ASN 139 CO -0.00 0.80 0.03 0.50 -1.65 0.00 0.00 177.43 177.10 1m9y h LYS 140 N 1.24 0.91 -0.26 0.81 3.64 -0.52 -0.88 116.57 121.52 1m9y h LYS 140 Ca 0.33 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1m9y h LYS 140 Cb -0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1m9y h LYS 140 CO -0.07 0.91 0.17 0.82 -2.27 0.00 0.00 179.45 179.02 1m9y h ILE 141 N 0.78 1.07 -0.88 2.00 2.04 -0.99 -2.14 117.51 119.39 1m9y h ILE 141 Ca 0.15 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1m9y h ILE 141 Cb 0.48 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1m9y h ILE 141 CO 0.02 0.07 0.51 0.58 0.00 0.00 0.00 178.15 179.33 1m9y h VAL 142 N 0.35 1.25 -0.02 1.67 2.07 -0.84 0.82 116.25 121.55 1m9y h VAL 142 Ca 0.09 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 1m9y h VAL 142 Cb -0.04 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1m9y h VAL 142 CO -0.02 0.27 -0.58 -0.09 0.02 0.00 0.00 177.57 177.17 1m9y h ARG 143 N 1.22 0.05 -0.14 1.57 2.43 -1.03 0.32 114.38 118.80 1m9y h ARG 143 Ca 0.31 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1m9y h ARG 143 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1m9y h ARG 143 CO -0.05 0.62 -0.24 1.98 -1.51 0.00 0.00 179.97 180.76 1m9y h MET 144 N 0.04 0.41 0.00 0.20 4.05 -0.66 -3.34 114.93 115.63 1m9y h MET 144 Ca -0.01 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1m9y h MET 144 Cb 1.03 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1m9y h MET 144 CO 0.08 0.85 -1.24 0.66 0.23 0.00 0.00 176.91 177.49 1m9y n TYR 145 N -4.45 0.65 -0.85 1.39 4.01 0.20 -5.11 117.16 113.00 1m9y n TYR 145 Ca -0.07 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1m9y n TYR 145 Cb 0.44 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1m9y n TYR 145 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27