#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bis s SER 57 N 0.00 4.45 0.59 0.00 0.15 -1.26 -5.02 113.70 112.61 1bis s SER 57 Ca 0.00 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 56.84 1bis s SER 57 Cb 0.00 -1.13 1.64 0.00 -1.71 0.00 0.00 66.02 64.83 1bis s SER 57 CO 0.00 0.34 2.10 -0.65 1.20 0.00 0.00 173.24 176.23 1bis h PRO 58 N 5.41 0.00 -0.58 5.44 0.11 -1.97 -2.80 132.00 137.61 1bis h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bis h PRO 58 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bis h PRO 58 CO 0.52 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 1bis n GLY 59 N -1.41 2.18 3.70 -0.55 0.00 -1.26 -4.93 105.19 102.93 1bis n GLY 59 Ca 0.02 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1bis n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bis s ILE 60 N -1.20 5.28 0.09 -0.61 1.01 -1.06 -1.12 121.20 123.60 1bis s ILE 60 Ca 0.44 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.69 1bis s ILE 60 Cb 0.24 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1bis s ILE 60 CO 0.32 0.34 -0.16 0.26 0.00 0.00 0.00 174.94 175.70 1bis s TRP 61 N 0.81 1.40 -0.06 3.97 0.52 -0.24 -2.55 118.94 122.80 1bis s TRP 61 Ca 0.16 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1bis s TRP 61 Cb -0.14 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1bis s TRP 61 CO 0.05 0.12 -0.16 -0.65 0.02 0.00 0.00 176.95 176.33 1bis s GLN 62 N -2.01 2.58 -0.03 4.98 -0.21 -0.26 -0.44 119.66 124.27 1bis s GLN 62 Ca 0.03 -0.73 0.03 0.00 0.02 0.00 0.00 55.36 54.71 1bis s GLN 62 Cb -0.09 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1bis s GLN 62 CO 0.03 0.55 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.46 1bis s LEU 63 N -0.55 1.84 0.16 2.90 2.96 0.19 -0.66 118.68 125.52 1bis s LEU 63 Ca 0.08 -0.25 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 1bis s LEU 63 Cb -0.11 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 45.90 1bis s LEU 63 CO 0.01 0.10 0.49 -0.62 -1.32 0.00 0.00 176.35 175.01 1bis s ASP 64 N 0.13 -0.31 -0.09 3.68 2.15 -0.53 -4.25 116.67 117.44 1bis s ASP 64 Ca -0.03 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.63 1bis s ASP 64 Cb -0.10 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.03 1bis s ASP 64 CO 0.01 -0.95 -0.05 0.00 -0.17 0.00 0.00 175.17 174.01 1bis s THR 66 N -0.54 0.93 0.01 0.00 -1.32 -0.11 -4.98 115.64 109.63 1bis s THR 66 Ca 0.08 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 1bis s THR 66 Cb -0.12 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1bis s THR 66 CO 0.02 0.00 -0.05 -1.00 -2.21 0.00 0.00 174.62 171.38 1bis s HIS 67 N -3.20 0.43 -0.20 9.09 3.76 -1.26 -1.64 115.29 122.28 1bis s HIS 67 Ca 0.27 -0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 54.85 1bis s HIS 67 Cb 0.05 -0.27 0.06 0.00 1.11 0.00 0.00 32.58 33.52 1bis s HIS 67 CO 0.14 -0.03 0.50 -0.51 -0.85 0.00 0.00 174.74 173.99 1bis s LEU 68 N -0.48 -0.13 -1.28 0.89 1.43 -1.02 -4.93 118.68 113.16 1bis s LEU 68 Ca -0.02 1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1bis s LEU 68 Cb -0.04 1.71 0.05 0.00 0.03 0.00 0.00 46.19 47.94 1bis s LEU 68 CO -0.00 -0.19 0.40 -0.62 0.23 0.00 0.00 176.35 176.17 1bis n GLU 69 N 3.48 -3.41 -1.71 1.70 1.02 -1.26 -0.38 120.64 120.09 1bis n GLU 69 Ca -0.18 0.57 -0.13 0.00 -0.02 0.00 0.00 57.16 57.41 1bis n GLU 69 Cb 0.56 -5.29 -0.04 0.00 -0.02 0.00 0.00 31.44 26.66 1bis n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bis n GLY 70 N -1.15 0.80 3.49 0.62 0.00 -1.26 -5.01 105.19 102.68 1bis n GLY 70 Ca -0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1bis n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bis s LYS 71 N -3.70 1.77 -0.23 1.61 -0.14 0.49 -5.13 119.74 114.41 1bis s LYS 71 Ca 0.00 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.15 1bis s LYS 71 Cb 0.00 -2.00 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 1bis s LYS 71 CO 0.00 0.42 0.07 0.54 -0.76 0.00 0.00 175.35 175.62 1bis s VAL 72 N -1.65 4.48 -0.21 3.17 0.11 -1.26 -2.44 120.40 122.61 1bis s VAL 72 Ca 0.22 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1bis s VAL 72 Cb -0.08 -3.07 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 1bis s VAL 72 CO 0.12 0.37 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.62 1bis s ILE 73 N 1.24 3.78 -0.22 7.04 1.01 -0.65 -0.45 121.20 132.95 1bis s ILE 73 Ca 0.05 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1bis s ILE 73 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1bis s ILE 73 CO 0.04 0.42 0.38 -0.22 0.00 0.00 0.00 174.94 175.56 1bis s LEU 74 N 1.16 4.12 -0.06 2.97 2.96 0.35 -0.94 118.68 129.25 1bis s LEU 74 Ca 0.03 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1bis s LEU 74 Cb -0.14 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1bis s LEU 74 CO 0.01 -0.10 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.03 1bis s VAL 75 N 1.51 2.41 -0.08 1.68 1.01 0.06 -1.05 120.40 125.94 1bis s VAL 75 Ca 0.18 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1bis s VAL 75 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1bis s VAL 75 CO 0.08 0.57 -0.15 0.00 0.00 0.00 0.00 175.10 175.60 1bis s ALA 76 N -0.34 1.52 -0.10 5.51 0.00 -0.22 -1.45 121.76 126.67 1bis s ALA 76 Ca 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1bis s ALA 76 Cb -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1bis s ALA 76 CO 0.02 0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.78 1bis s VAL 77 N 0.62 1.90 -0.66 0.00 1.01 0.17 -1.75 120.40 121.69 1bis s VAL 77 Ca -0.15 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1bis s VAL 77 Cb -0.16 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1bis s VAL 77 CO 0.05 0.52 1.04 -2.28 0.00 0.00 0.00 175.10 174.43 1bis s HIS 78 N 0.45 2.60 0.33 5.22 2.46 0.26 -1.11 115.29 125.50 1bis s HIS 78 Ca -0.17 -0.34 0.10 0.00 0.47 0.00 0.00 55.06 55.12 1bis s HIS 78 Cb -0.17 -4.34 0.98 0.00 -0.13 0.00 0.00 32.58 28.91 1bis s HIS 78 CO 0.07 -1.71 1.61 0.28 -2.47 0.00 0.00 174.74 172.53 1bis h VAL 79 N 6.00 0.16 0.00 0.89 2.07 -1.80 -1.44 116.25 122.13 1bis h VAL 79 Ca -0.28 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1bis h VAL 79 Cb 1.07 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1bis h VAL 79 CO 1.19 0.02 -0.48 0.00 0.02 0.00 0.00 177.57 178.33 1bis h ALA 80 N 1.90 1.10 0.00 1.67 0.00 -1.81 -3.36 119.26 118.76 1bis h ALA 80 Ca 0.69 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1bis h ALA 80 Cb 1.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1bis h ALA 80 CO -0.74 0.60 -1.69 -1.13 0.00 0.00 0.00 179.25 176.29 1bis n SER 81 N -3.81 1.99 0.00 0.00 3.41 -0.80 -5.00 113.62 109.41 1bis n SER 81 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1bis n SER 81 Cb 0.52 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 1bis n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bis n GLY 82 N 1.93 0.79 3.77 5.00 0.00 -0.61 -4.64 105.19 111.43 1bis n GLY 82 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1bis n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bis s TYR 83 N -3.01 2.90 0.11 1.61 6.14 -1.25 -4.81 117.35 119.05 1bis s TYR 83 Ca 0.00 1.52 0.00 0.00 0.64 0.00 0.00 57.07 59.23 1bis s TYR 83 Cb 0.00 -3.44 -0.04 0.00 0.42 0.00 0.00 41.96 38.90 1bis s TYR 83 CO 0.00 -1.59 -0.01 0.96 0.64 0.00 0.00 175.55 175.55 1bis s ILE 84 N -1.45 0.41 -0.00 3.14 -4.36 -1.26 -0.57 121.20 117.11 1bis s ILE 84 Ca 0.61 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1bis s ILE 84 Cb -0.31 -1.85 -0.00 0.00 1.25 0.00 0.00 42.46 41.54 1bis s ILE 84 CO 0.38 -0.69 0.01 -1.61 0.24 0.00 0.00 174.94 173.28 1bis s GLU 85 N -3.93 0.09 0.02 0.37 2.02 -0.72 -4.94 118.70 111.61 1bis s GLU 85 Ca 0.17 -0.11 -0.17 0.00 0.02 0.00 0.00 54.97 54.87 1bis s GLU 85 Cb 0.07 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.37 1bis s GLU 85 CO -0.02 -0.02 0.39 0.00 0.02 0.00 0.00 175.26 175.63 1bis s ALA 86 N -0.32 -0.95 -0.17 5.21 0.00 -1.26 -1.06 121.76 123.21 1bis s ALA 86 Ca -0.04 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.04 1bis s ALA 86 Cb -0.02 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1bis s ALA 86 CO -0.00 -0.39 0.59 -2.00 0.00 0.00 0.00 175.76 173.96 1bis s GLU 87 N -2.08 0.78 -0.13 0.00 2.12 -0.22 -4.84 118.70 114.33 1bis s GLU 87 Ca -0.08 0.62 -0.29 0.00 0.36 0.00 0.00 54.97 55.58 1bis s GLU 87 Cb -0.02 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1bis s GLU 87 CO 0.00 -0.14 1.00 0.08 -0.54 0.00 0.00 175.26 175.66 1bis s VAL 88 N -0.15 4.77 0.05 3.70 1.01 -1.26 -0.49 120.40 128.03 1bis s VAL 88 Ca -0.04 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.00 1bis s VAL 88 Cb -0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1bis s VAL 88 CO 0.03 -0.03 -0.03 0.27 0.00 0.00 0.00 175.10 175.34 1bis s ILE 89 N 2.26 3.86 0.55 2.22 -4.36 0.41 -4.96 121.20 121.17 1bis s ILE 89 Ca 0.47 -0.90 0.39 0.00 -0.26 0.00 0.00 60.65 60.34 1bis s ILE 89 Cb -0.17 -2.77 0.41 0.00 1.25 0.00 0.00 42.46 41.17 1bis s ILE 89 CO 0.15 0.23 2.27 1.55 0.24 0.00 0.00 174.94 179.39 1bis h PRO 90 N 3.90 0.00 -1.87 0.37 0.13 -1.96 -3.37 132.00 129.20 1bis h PRO 90 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1bis h PRO 90 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1bis h PRO 90 CO 0.57 0.01 0.28 0.00 -0.23 0.00 0.00 178.00 178.63 1bis s ALA 91 N -4.16 -1.83 -1.33 -0.56 0.00 -1.26 -4.99 121.76 107.62 1bis s ALA 91 Ca -0.04 1.61 -0.09 0.00 0.00 0.00 0.00 51.96 53.44 1bis s ALA 91 Cb 0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 1bis s ALA 91 CO 0.47 -0.34 2.99 -1.91 0.00 0.00 0.00 175.76 176.98 1bis n GLU 92 N 1.45 3.54 -3.30 0.00 2.13 -1.26 -4.73 120.64 118.46 1bis n GLU 92 Ca -0.15 -2.18 -0.19 0.00 0.66 0.00 0.00 57.16 55.30 1bis n GLU 92 Cb 0.57 -2.65 -0.00 0.00 0.27 0.00 0.00 31.44 29.62 1bis n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1bis s THR 93 N 1.50 3.30 0.19 6.31 -4.23 -1.26 -4.57 115.64 116.89 1bis s THR 93 Ca 0.67 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 1bis s THR 93 Cb 0.21 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.92 1bis s THR 93 CO -0.06 -0.06 1.58 1.23 -0.54 0.00 0.00 174.62 176.77 1bis h GLY 94 N 0.83 0.86 0.89 3.99 0.00 -1.86 -2.25 103.07 105.53 1bis h GLY 94 Ca -0.42 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.13 1bis h GLY 94 CO 0.50 0.72 0.26 -1.61 0.00 0.00 0.00 176.54 176.42 1bis h GLN 95 N 0.67 0.52 -0.40 4.80 4.15 -1.95 0.25 115.11 123.15 1bis h GLN 95 Ca 0.08 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.37 1bis h GLN 95 Cb 0.83 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1bis h GLN 95 CO 0.07 0.34 -0.15 0.93 -1.93 0.00 0.00 178.83 178.10 1bis h GLU 96 N 0.53 0.73 -0.43 1.69 4.39 -1.83 -1.08 114.58 118.58 1bis h GLU 96 Ca 0.18 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1bis h GLU 96 Cb 0.02 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1bis h GLU 96 CO -0.09 0.84 -0.18 1.15 -1.16 0.00 0.00 179.01 179.58 1bis h THR 97 N 0.65 1.28 -0.72 1.13 2.02 -0.85 -2.02 112.91 114.40 1bis h THR 97 Ca 0.11 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 1bis h THR 97 Cb 0.62 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1bis h THR 97 CO 0.04 0.45 0.24 0.00 0.37 0.00 0.00 175.52 176.62 1bis h ALA 98 N 0.84 0.94 -0.65 6.16 0.00 -0.31 -0.72 119.26 125.52 1bis h ALA 98 Ca 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1bis h ALA 98 Cb 0.74 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1bis h ALA 98 CO 0.06 0.61 0.30 -0.92 0.00 0.00 0.00 179.25 179.30 1bis h TYR 99 N 1.06 0.96 -0.50 0.00 3.20 -1.05 -1.76 116.97 118.87 1bis h TYR 99 Ca 0.23 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1bis h TYR 99 Cb 0.28 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1bis h TYR 99 CO 0.02 0.73 0.13 0.35 -1.64 0.00 0.00 178.16 177.76 1bis h PHE 100 N 0.91 0.83 -0.66 -3.82 3.57 -0.97 -2.65 116.94 114.15 1bis h PHE 100 Ca 0.22 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1bis h PHE 100 Cb 0.15 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1bis h PHE 100 CO 0.01 0.73 0.38 -0.07 -2.23 0.00 0.00 178.31 177.12 1bis h LEU 101 N 0.68 0.81 -0.84 0.59 3.38 -0.86 -1.47 115.31 117.61 1bis h LEU 101 Ca 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1bis h LEU 101 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1bis h LEU 101 CO -0.00 0.66 0.38 -0.07 0.09 0.00 0.00 178.44 179.49 1bis h LEU 102 N 0.90 1.12 -0.09 1.67 3.38 -1.22 0.84 115.31 121.91 1bis h LEU 102 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bis h LEU 102 Cb 0.01 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1bis h LEU 102 CO -0.04 0.96 0.05 0.11 0.09 0.00 0.00 178.44 179.61 1bis h LYS 103 N 1.20 0.13 -0.40 1.13 1.57 -1.18 -1.68 116.57 117.34 1bis h LYS 103 Ca 0.28 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1bis h LYS 103 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1bis h LYS 103 CO -0.03 0.15 0.19 1.25 -0.57 0.00 0.00 179.45 180.44 1bis h LEU 104 N 0.08 0.53 -1.80 2.94 5.85 -0.90 -2.44 115.31 119.56 1bis h LEU 104 Ca 0.03 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1bis h LEU 104 Cb 0.05 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1bis h LEU 104 CO -0.01 0.52 -0.14 0.00 -0.34 0.00 0.00 178.44 178.47 1bis h ALA 105 N 1.04 1.60 0.00 1.25 0.00 -0.73 -2.37 119.26 120.05 1bis h ALA 105 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1bis h ALA 105 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bis h ALA 105 CO -0.02 0.17 -0.13 0.78 0.00 0.00 0.00 179.25 180.06 1bis h GLY 106 N 0.53 0.00 0.00 0.00 0.00 -0.80 -3.34 103.07 99.46 1bis h GLY 106 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1bis h GLY 106 CO 0.02 0.00 -2.17 -0.96 0.00 0.00 0.00 176.54 173.43 1bis n ARG 107 N -3.20 1.14 -4.37 4.80 1.85 -0.95 -5.03 116.66 110.91 1bis n ARG 107 Ca 0.01 -0.02 -0.22 0.00 -1.00 0.00 0.00 57.85 56.62 1bis n ARG 107 Cb 0.45 -1.44 -0.11 0.00 -1.05 0.00 0.00 32.46 30.30 1bis n ARG 107 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1bis s TRP 108 N -2.46 1.94 -1.25 2.89 0.52 -0.93 -5.05 118.94 114.59 1bis s TRP 108 Ca -0.08 -0.45 -0.19 0.00 0.02 0.00 0.00 56.10 55.39 1bis s TRP 108 Cb 0.05 -0.94 0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1bis s TRP 108 CO 0.71 0.41 1.74 -1.25 0.02 0.00 0.00 176.95 178.58 1bis s PRO 109 N -3.00 3.72 -0.37 4.98 0.04 -1.26 -4.57 135.00 134.53 1bis s PRO 109 Ca 0.19 -1.76 -0.27 0.00 0.04 0.00 0.00 61.00 59.20 1bis s PRO 109 Cb -0.05 -5.47 0.02 0.00 0.04 0.00 0.00 34.50 29.03 1bis s PRO 109 CO 0.08 -2.51 0.98 0.08 0.04 0.00 0.00 177.00 175.68 1bis s VAL 110 N 5.34 4.52 -0.22 -0.36 1.01 -1.26 -4.44 120.40 124.99 1bis s VAL 110 Ca 0.55 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1bis s VAL 110 Cb 0.03 -4.39 -0.16 0.00 0.00 0.00 0.00 36.38 31.86 1bis s VAL 110 CO 0.07 -0.59 -0.16 1.17 0.00 0.00 0.00 175.10 175.59 1bis n LYS 111 N 6.94 0.66 -3.76 2.72 3.00 -0.28 -4.54 118.16 122.89 1bis n LYS 111 Ca 0.09 0.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 1bis n LYS 111 Cb 0.48 -1.46 -0.14 0.00 0.00 0.00 0.00 35.03 33.91 1bis n LYS 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1bis s THR 112 N -2.45 -0.04 -0.11 3.15 2.01 -0.77 -0.58 115.64 116.84 1bis s THR 112 Ca -0.27 0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1bis s THR 112 Cb 0.07 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1bis s THR 112 CO 0.56 0.06 -0.23 0.68 -0.69 0.00 0.00 174.62 175.00 1bis s VAL 113 N 0.96 2.11 -0.17 3.82 -7.23 0.10 -1.07 120.40 118.91 1bis s VAL 113 Ca -0.07 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1bis s VAL 113 Cb -0.09 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1bis s VAL 113 CO -0.05 0.56 0.11 -1.00 -0.31 0.00 0.00 175.10 174.40 1bis s HIS 114 N 0.40 3.39 0.16 2.82 3.76 0.42 -1.54 115.29 124.70 1bis s HIS 114 Ca -0.17 0.29 -0.06 0.00 -0.15 0.00 0.00 55.06 54.97 1bis s HIS 114 Cb -0.18 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1bis s HIS 114 CO 0.07 0.35 0.21 0.95 -0.85 0.00 0.00 174.74 175.47 1bis s THR 115 N 0.02 0.07 0.85 1.30 -4.23 -0.89 -0.63 115.64 112.13 1bis s THR 115 Ca 0.08 -1.60 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1bis s THR 115 Cb -0.12 -1.97 0.17 0.00 1.34 0.00 0.00 72.50 71.92 1bis s THR 115 CO -0.00 -0.31 1.17 1.51 -0.54 0.00 0.00 174.62 176.45 1bis s ASP 116 N -3.01 3.64 -0.15 3.99 1.47 -1.26 -4.37 116.67 116.98 1bis s ASP 116 Ca 0.21 -0.07 0.02 0.00 1.18 0.00 0.00 52.55 53.89 1bis s ASP 116 Cb 0.05 -0.10 0.25 0.00 -0.34 0.00 0.00 42.92 42.77 1bis s ASP 116 CO 0.02 -2.36 1.26 -0.46 0.68 0.00 0.00 175.17 174.31 1bis n ASN 117 N -3.34 3.17 -4.76 2.11 0.23 -1.26 -4.74 115.26 106.67 1bis n ASN 117 Ca 0.16 -2.53 -0.35 0.00 -0.53 0.00 0.00 54.58 51.33 1bis n ASN 117 Cb 0.60 -0.61 0.04 0.00 -2.08 0.00 0.00 39.78 37.73 1bis n ASN 117 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bis s GLY 118 N 0.10 2.49 0.42 4.83 0.00 -1.26 -4.69 107.32 109.20 1bis s GLY 118 Ca 0.20 0.82 0.16 0.00 0.00 0.00 0.00 44.72 45.90 1bis s GLY 118 CO 0.04 1.20 1.90 1.48 0.00 0.00 0.00 173.10 177.71 1bis h SER 119 N 0.50 0.42 -0.06 1.64 4.64 -1.95 0.15 113.55 118.90 1bis h SER 119 Ca -0.49 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 1bis h SER 119 Cb 1.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1bis h SER 119 CO 0.54 0.20 -0.26 -0.55 -0.87 0.00 0.00 176.83 175.89 1bis h ASN 120 N 0.44 0.50 0.89 4.97 -1.07 -1.88 -1.23 115.58 118.20 1bis h ASN 120 Ca 0.41 -0.17 -0.22 0.00 0.07 0.00 0.00 56.30 56.38 1bis h ASN 120 Cb 0.93 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 37.02 1bis h ASN 120 CO -0.14 0.75 -1.04 -0.26 0.07 0.00 0.00 177.43 176.81 1bis h PHE 121 N 0.43 0.13 -0.12 4.14 0.04 -1.09 -3.23 116.94 117.25 1bis h PHE 121 Ca 0.06 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bis h PHE 121 Cb 0.69 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1bis h PHE 121 CO 0.02 1.05 0.00 0.25 -0.60 0.00 0.00 178.31 179.04 1bis n THR 122 N -3.42 0.13 -1.36 -1.55 -2.24 -0.20 -4.75 114.28 100.90 1bis n THR 122 Ca -0.02 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1bis n THR 122 Cb 0.95 0.69 0.10 0.00 -2.10 0.00 0.00 70.33 69.97 1bis n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bis s SER 123 N -1.79 3.98 0.20 3.42 1.04 -0.47 -4.85 113.70 115.22 1bis s SER 123 Ca 0.35 2.46 -0.10 0.00 0.48 0.00 0.00 55.95 59.14 1bis s SER 123 Cb 0.20 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.85 1bis s SER 123 CO 0.30 -2.41 1.80 0.74 0.98 0.00 0.00 173.24 174.65 1bis h THR 124 N -0.35 1.23 -0.66 2.02 2.02 -1.91 -1.54 112.91 113.71 1bis h THR 124 Ca -0.48 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1bis h THR 124 Cb 1.31 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1bis h THR 124 CO 0.49 0.26 0.39 0.00 0.37 0.00 0.00 175.52 177.03 1bis h THR 125 N 1.00 1.20 -0.53 3.16 1.03 -1.92 0.19 112.91 117.03 1bis h THR 125 Ca 0.25 -0.45 -0.11 0.00 -0.01 0.00 0.00 66.41 66.09 1bis h THR 125 Cb 0.08 0.30 -0.02 0.00 -1.07 0.00 0.00 68.15 67.44 1bis h THR 125 CO -0.04 0.21 -0.09 0.58 -0.01 0.00 0.00 175.52 176.17 1bis h VAL 126 N 0.90 1.27 -0.58 0.00 2.07 -1.72 -0.22 116.25 117.96 1bis h VAL 126 Ca 0.24 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1bis h VAL 126 Cb -0.01 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1bis h VAL 126 CO -0.04 0.43 0.39 0.50 0.02 0.00 0.00 177.57 178.87 1bis h LYS 127 N 0.88 0.76 -0.55 1.57 3.64 -0.78 -1.58 116.57 120.52 1bis h LYS 127 Ca 0.14 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 1bis h LYS 127 Cb 0.64 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1bis h LYS 127 CO 0.04 0.51 -0.09 0.00 -2.27 0.00 0.00 179.45 177.64 1bis h ALA 128 N 1.21 0.80 -0.76 5.00 0.00 -0.63 -1.48 119.26 123.41 1bis h ALA 128 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1bis h ALA 128 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1bis h ALA 128 CO -0.05 0.67 0.41 0.00 0.00 0.00 0.00 179.25 180.29 1bis h ALA 129 N 0.97 0.97 -0.47 0.00 0.00 -0.73 -0.34 119.26 119.65 1bis h ALA 129 Ca 0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1bis h ALA 129 Cb 0.65 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bis h ALA 129 CO 0.04 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.63 1bis h GLU 131 N 0.80 -0.21 -0.75 0.00 4.22 -0.94 0.19 114.58 117.88 1bis h GLU 131 Ca 0.12 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.60 1bis h GLU 131 Cb 0.67 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1bis h GLU 131 CO 0.05 -0.04 0.49 2.35 -2.18 0.00 0.00 179.01 179.67 1bis h TRP 132 N -0.33 0.92 -0.00 0.92 7.01 -0.92 -2.51 115.95 121.04 1bis h TRP 132 Ca -0.02 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1bis h TRP 132 Cb 0.26 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1bis h TRP 132 CO -0.03 0.55 -0.11 0.00 -2.79 0.00 0.00 178.44 176.06 1bis n ALA 133 N -2.31 2.75 -2.61 2.65 0.00 -0.11 -4.94 120.51 115.94 1bis n ALA 133 Ca 0.08 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1bis n ALA 133 Cb 0.05 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1bis n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bis n GLY 134 N 1.29 0.14 3.59 0.00 0.00 0.24 -5.01 105.19 105.44 1bis n GLY 134 Ca 0.14 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1bis n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bis s ILE 135 N -2.83 4.30 -0.04 -0.61 1.01 0.40 -4.77 121.20 118.67 1bis s ILE 135 Ca 0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 1bis s ILE 135 Cb -0.06 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1bis s ILE 135 CO 0.17 0.51 0.58 -0.54 0.00 0.00 0.00 174.94 175.66 1bis s LYS 136 N 0.08 4.32 -0.12 2.79 1.02 0.25 -4.48 119.74 123.61 1bis s LYS 136 Ca 0.02 0.68 -0.06 0.00 0.02 0.00 0.00 55.97 56.64 1bis s LYS 136 Cb -0.13 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1bis s LYS 136 CO 0.02 0.29 0.08 -0.65 -0.92 0.00 0.00 175.35 174.17 1bis s GLN 137 N 0.10 3.40 -0.03 1.68 -0.21 -1.26 -0.72 119.66 122.61 1bis s GLN 137 Ca 0.31 -0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.48 1bis s GLN 137 Cb -0.17 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.75 1bis s GLN 137 CO 0.16 0.67 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.63 1bis s GLU 138 N -0.74 1.52 -0.02 2.91 0.41 -0.59 -4.96 118.70 117.23 1bis s GLU 138 Ca 0.13 -0.56 0.05 0.00 -0.41 0.00 0.00 54.97 54.17 1bis s GLU 138 Cb -0.12 -1.38 -0.07 0.00 -1.78 0.00 0.00 34.13 30.79 1bis s GLU 138 CO 0.03 0.27 0.07 1.19 -0.49 0.00 0.00 175.26 176.32 1bis n PHE 139 N 2.99 0.00 -3.63 1.61 3.01 -1.26 -2.10 117.46 118.07 1bis n PHE 139 Ca -0.17 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.32 1bis n PHE 139 Cb 0.54 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 1bis n PHE 139 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bis n GLY 140 N 2.43 -1.58 3.76 1.37 0.00 -1.26 -4.69 105.19 105.24 1bis n GLY 140 Ca -0.04 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1bis n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bis s ILE 141 N -0.44 3.08 0.00 -0.61 1.01 -1.26 -5.03 121.20 117.95 1bis s ILE 141 Ca 0.00 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 1bis s ILE 141 Cb 0.00 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.62 1bis s ILE 141 CO 0.00 0.26 0.94 -2.65 0.00 0.00 0.00 174.94 173.49 1bis n PRO 142 N 0.99 0.00 0.00 2.79 -0.02 -1.26 -5.00 135.00 132.49 1bis n PRO 142 Ca -0.01 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 1bis n PRO 142 Cb 0.43 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1bis n PRO 142 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1bis n ILE 151 N 4.95 0.00 0.15 4.25 3.06 -1.26 -5.11 119.36 125.40 1bis n ILE 151 Ca 0.19 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.57 1bis n ILE 151 Cb 0.29 0.00 0.34 0.00 0.54 0.00 0.00 39.64 40.81 1bis n ILE 151 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1bis h GLU 152 N 0.00 0.00 0.00 9.51 9.09 -2.01 1.27 114.58 132.44 1bis h GLU 152 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bis h GLU 152 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1bis h GLU 152 CO 0.00 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.51 1bis n SER 153 N -2.90 0.00 -0.05 3.06 2.88 -1.26 -2.51 113.62 112.85 1bis n SER 153 Ca 0.07 -0.94 -0.05 0.00 -1.33 0.00 0.00 58.87 56.62 1bis n SER 153 Cb 1.01 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.41 1bis n SER 153 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1bis n MET 154 N -0.89 1.78 0.02 -1.46 0.00 0.44 -4.09 117.12 112.93 1bis n MET 154 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 57.70 57.84 1bis n MET 154 Cb 0.07 -1.21 0.23 0.00 0.00 0.00 0.00 33.22 32.30 1bis n MET 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 1bis h ASN 155 N 0.00 0.45 0.10 6.12 4.21 -1.51 0.11 115.58 125.06 1bis h ASN 155 Ca -0.23 -0.14 -0.23 0.00 1.21 0.00 0.00 56.30 56.91 1bis h ASN 155 Cb 1.46 -0.12 0.01 0.00 -1.12 0.00 0.00 38.32 38.54 1bis h ASN 155 CO -0.01 0.67 -0.90 0.07 -1.29 0.00 0.00 177.43 175.97 1bis h LYS 156 N 0.41 0.60 -0.25 0.81 -0.00 -1.76 -2.28 116.57 114.11 1bis h LYS 156 Ca 0.07 -0.58 -0.04 0.00 -0.00 0.00 0.00 60.65 60.10 1bis h LYS 156 Cb 0.60 0.15 -0.01 0.00 -0.00 0.00 0.00 32.23 32.97 1bis h LYS 156 CO 0.04 1.19 -0.01 1.49 -0.00 0.00 0.00 179.45 182.17 1bis h GLU 157 N 0.37 0.44 -0.74 0.07 4.57 -1.64 -1.80 114.58 115.86 1bis h GLU 157 Ca -0.08 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1bis h GLU 157 Cb 1.53 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.05 1bis h GLU 157 CO 0.17 0.63 0.35 1.25 -1.18 0.00 0.00 179.01 180.23 1bis h LEU 158 N 0.21 0.97 -1.70 1.64 5.85 -0.84 -1.51 115.31 119.93 1bis h LEU 158 Ca 0.07 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1bis h LEU 158 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1bis h LEU 158 CO 0.01 0.83 -0.18 0.11 -0.34 0.00 0.00 178.44 178.88 1bis h LYS 159 N 1.04 0.00 0.04 1.25 1.57 -1.24 -0.37 116.57 118.86 1bis h LYS 159 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1bis h LYS 159 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1bis h LYS 159 CO -0.03 0.18 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.79 1bis h LYS 160 N 0.00 -0.06 -0.55 3.15 3.64 -0.40 -2.04 116.57 120.30 1bis h LYS 160 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1bis h LYS 160 Cb 0.35 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1bis h LYS 160 CO 0.02 0.43 0.23 0.82 -2.27 0.00 0.00 179.45 178.68 1bis h ILE 161 N -0.58 1.20 -0.29 2.00 2.04 -1.10 -0.95 117.51 119.83 1bis h ILE 161 Ca -0.01 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1bis h ILE 161 Cb 0.52 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1bis h ILE 161 CO 0.01 0.24 -0.11 0.40 0.00 0.00 0.00 178.15 178.70 1bis h ILE 162 N 0.79 1.22 -0.27 -0.67 2.04 -1.05 -1.60 117.51 117.97 1bis h ILE 162 Ca 0.19 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1bis h ILE 162 Cb 0.14 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1bis h ILE 162 CO -0.02 0.31 -0.14 1.23 0.00 0.00 0.00 178.15 179.53 1bis h GLY 163 N 0.90 0.62 0.77 5.37 0.00 -0.48 -0.55 103.07 109.69 1bis h GLY 163 Ca 0.09 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 46.91 1bis h GLY 163 CO 0.03 0.51 0.61 1.46 0.00 0.00 0.00 176.54 179.15 1bis h GLN 164 N 0.30 1.10 -0.32 4.80 4.20 -0.71 -3.03 115.11 121.44 1bis h GLN 164 Ca 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1bis h GLN 164 Cb 0.66 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1bis h GLN 164 CO 0.04 0.73 0.00 1.33 -0.67 0.00 0.00 178.83 180.26 1bis n VAL 165 N -4.53 0.67 -0.25 -0.54 0.24 -0.65 -4.72 118.33 108.54 1bis n VAL 165 Ca 0.14 -0.83 0.20 0.00 -2.04 0.00 0.00 64.34 61.81 1bis n VAL 165 Cb 0.16 0.77 0.52 0.00 -1.47 0.00 0.00 33.84 33.82 1bis n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1bis h ARG 166 N 2.84 0.38 -0.02 7.34 9.65 -0.96 -0.31 114.38 133.29 1bis h ARG 166 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1bis h ARG 166 Cb 0.75 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1bis h ARG 166 CO 0.00 0.25 0.00 -0.40 2.80 0.00 0.00 179.97 182.62 1bis n ASP 167 N -4.51 0.58 -0.17 -3.80 5.75 -1.26 -3.79 116.55 109.34 1bis n ASP 167 Ca 0.20 -1.27 0.14 0.00 -0.01 0.00 0.00 54.79 53.85 1bis n ASP 167 Cb 0.74 -0.01 0.60 0.00 -1.03 0.00 0.00 41.12 41.42 1bis n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bis n GLN 168 N -0.51 0.89 -3.60 0.11 1.13 -0.13 -4.87 117.38 110.39 1bis n GLN 168 Ca 0.20 -0.35 -0.11 0.00 -1.94 0.00 0.00 57.00 54.80 1bis n GLN 168 Cb 0.19 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 1bis n GLN 168 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bis s ALA 169 N -2.36 -1.08 0.09 -1.58 0.00 -1.25 -5.05 121.76 110.54 1bis s ALA 169 Ca 0.32 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1bis s ALA 169 Cb 0.20 0.65 -0.20 0.00 0.00 0.00 0.00 23.12 23.78 1bis s ALA 169 CO 0.45 -0.63 1.21 1.49 0.00 0.00 0.00 175.76 178.28 1bis h GLU 170 N 2.42 0.58 -6.12 0.00 4.81 -1.89 -3.47 114.58 110.91 1bis h GLU 170 Ca -0.33 -0.66 -0.66 0.00 -0.13 0.00 0.00 59.36 57.58 1bis h GLU 170 Cb 1.25 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.71 1bis h GLU 170 CO 0.45 1.26 -0.62 -1.01 -0.73 0.00 0.00 179.01 178.36 1bis s HIS 171 N -3.22 3.15 0.24 0.92 0.09 -1.26 -5.02 115.29 110.20 1bis s HIS 171 Ca -0.08 0.11 -0.05 0.00 -0.00 0.00 0.00 55.06 55.04 1bis s HIS 171 Cb 0.07 -1.68 0.34 0.00 -0.00 0.00 0.00 32.58 31.31 1bis s HIS 171 CO 0.90 0.50 1.85 1.25 -0.00 0.00 0.00 174.74 179.25 1bis h LEU 172 N 4.08 0.86 -1.30 0.89 5.85 -1.94 -1.86 115.31 121.88 1bis h LEU 172 Ca -0.49 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.37 1bis h LEU 172 Cb 1.18 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1bis h LEU 172 CO 0.60 0.55 0.55 0.07 -0.34 0.00 0.00 178.44 179.87 1bis h LYS 173 N 0.99 0.71 -0.11 1.25 2.10 -1.97 0.84 116.57 120.38 1bis h LYS 173 Ca 0.38 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.90 1bis h LYS 173 Cb 0.16 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1bis h LYS 173 CO -0.17 0.47 -0.25 1.15 -2.00 0.00 0.00 179.45 178.65 1bis h THR 174 N 0.73 1.38 -0.78 0.07 2.02 -1.77 -2.86 112.91 111.71 1bis h THR 174 Ca 0.41 -1.54 0.02 0.00 0.77 0.00 0.00 66.41 66.07 1bis h THR 174 Cb 0.57 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1bis h THR 174 CO -0.18 0.45 0.51 0.00 0.37 0.00 0.00 175.52 176.68 1bis h ALA 175 N 0.52 1.49 -0.42 6.16 0.00 -0.94 -1.46 119.26 124.61 1bis h ALA 175 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1bis h ALA 175 Cb 0.85 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bis h ALA 175 CO 0.06 0.45 0.27 0.28 0.00 0.00 0.00 179.25 180.31 1bis h VAL 176 N 1.00 1.09 -0.43 0.00 2.07 -0.80 0.69 116.25 119.88 1bis h VAL 176 Ca 0.30 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 1bis h VAL 176 Cb -0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1bis h VAL 176 CO -0.08 0.10 -0.17 1.56 0.02 0.00 0.00 177.57 179.00 1bis h GLN 177 N 0.55 0.82 -0.79 1.57 1.08 -1.19 -0.42 115.11 116.74 1bis h GLN 177 Ca 0.16 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 1bis h GLN 177 Cb -0.05 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 1bis h GLN 177 CO -0.04 0.94 0.33 0.52 -0.95 0.00 0.00 178.83 179.62 1bis h MET 178 N 0.73 1.17 -0.46 1.46 2.86 -0.84 -0.91 114.93 118.93 1bis h MET 178 Ca 0.11 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1bis h MET 178 Cb 0.69 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1bis h MET 178 CO 0.05 0.94 -0.07 0.00 1.06 0.00 0.00 176.91 178.89 1bis h ALA 179 N 1.17 1.01 -0.38 6.32 0.00 -0.52 0.05 119.26 126.91 1bis h ALA 179 Ca 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1bis h ALA 179 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bis h ALA 179 CO -0.02 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.17 1bis h VAL 180 N 0.74 1.24 0.19 0.00 2.07 -0.51 0.35 116.25 120.33 1bis h VAL 180 Ca 0.13 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1bis h VAL 180 Cb 0.55 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1bis h VAL 180 CO 0.03 0.28 -0.22 0.15 0.02 0.00 0.00 177.57 177.84 1bis h PHE 181 N 0.47 -0.58 -0.52 1.57 3.04 -0.92 -0.29 116.94 119.71 1bis h PHE 181 Ca 0.12 0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.13 1bis h PHE 181 Cb 0.35 0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.03 1bis h PHE 181 CO 0.02 -0.32 0.22 0.82 -2.02 0.00 0.00 178.31 177.03 1bis h ILE 182 N -0.45 0.87 -0.08 1.41 2.04 -0.84 -1.34 117.51 119.11 1bis h ILE 182 Ca 0.01 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1bis h ILE 182 Cb 0.44 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1bis h ILE 182 CO -0.07 0.08 0.00 -0.74 0.00 0.00 0.00 178.15 177.42 1bis h HIS 183 N 0.43 0.01 0.00 1.37 2.76 -0.37 -1.69 115.15 117.65 1bis h HIS 183 Ca 0.25 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1bis h HIS 183 Cb 0.23 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1bis h HIS 183 CO -0.14 -0.00 -0.31 -0.91 -1.30 0.00 0.00 177.93 175.27 1bis h ASN 184 N 0.04 0.00 0.96 3.26 2.35 -0.77 -3.16 115.58 118.26 1bis h ASN 184 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1bis h ASN 184 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1bis h ASN 184 CO -0.06 0.31 -1.05 0.29 -1.65 0.00 0.00 177.43 175.28 1bis n LYS 185 N -3.61 0.61 -1.78 0.81 4.76 -0.53 -1.47 118.16 116.95 1bis n LYS 185 Ca -0.01 0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 55.15 1bis n LYS 185 Cb 0.44 -1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1bis n LYS 185 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bis s LYS 186 N -3.33 4.10 0.00 1.97 2.20 -0.65 -4.78 119.74 119.26 1bis s LYS 186 Ca -0.01 2.60 0.04 0.00 -0.36 0.00 0.00 55.97 58.24 1bis s LYS 186 Cb 0.09 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1bis s LYS 186 CO 0.79 -0.58 -0.08 1.03 -0.36 0.00 0.00 175.35 176.15 1bis s ARG 187 N -1.72 2.51 -0.02 4.03 0.52 -1.26 -4.21 118.95 118.80 1bis s ARG 187 Ca 0.56 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 1bis s ARG 187 Cb -0.47 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 32.44 1bis s ARG 187 CO 0.60 0.60 2.01 1.17 0.02 0.00 0.00 175.30 179.69 1bis n LYS 188 N 1.58 2.64 -1.06 3.54 4.81 -1.26 -0.46 118.16 127.96 1bis n LYS 188 Ca -0.16 0.94 -0.02 0.00 -0.87 0.00 0.00 58.31 58.21 1bis n LYS 188 Cb 0.52 -3.00 -0.01 0.00 0.02 0.00 0.00 35.03 32.57 1bis n LYS 188 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bis n GLY 189 N 4.74 0.54 2.56 3.14 0.00 -1.26 -3.64 105.19 111.26 1bis n GLY 189 Ca 0.22 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1bis n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bis n GLY 190 N -2.10 1.45 2.74 -0.02 0.00 0.40 -4.95 105.19 102.71 1bis n GLY 190 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1bis n GLY 190 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bis s ILE 191 N -2.27 -0.24 0.11 -0.61 1.01 -1.24 -4.92 121.20 113.04 1bis s ILE 191 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1bis s ILE 191 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1bis s ILE 191 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1bis n GLY 192 N 5.31 -1.58 6.23 6.18 0.00 -1.26 -4.80 105.19 115.27 1bis n GLY 192 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1bis n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bis n GLY 193 N -1.55 -1.95 3.87 -0.02 0.00 -1.26 -4.40 105.19 99.88 1bis n GLY 193 Ca 0.00 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 1bis n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bis s TYR 194 N -0.14 3.31 0.43 1.61 1.51 -1.26 -5.01 117.35 117.81 1bis s TYR 194 Ca 0.00 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1bis s TYR 194 Cb 0.00 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1bis s TYR 194 CO 0.00 0.52 0.62 -1.54 -1.11 0.00 0.00 175.55 174.04 1bis s SER 195 N -3.14 5.72 0.33 2.29 1.04 -1.26 -4.57 113.70 114.11 1bis s SER 195 Ca 0.33 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1bis s SER 195 Cb -0.11 -1.15 0.57 0.00 0.10 0.00 0.00 66.02 65.43 1bis s SER 195 CO 0.26 -0.73 1.92 0.00 0.98 0.00 0.00 173.24 175.67 1bis h ALA 196 N 0.51 1.41 -0.17 5.32 0.00 -1.70 0.83 119.26 125.46 1bis h ALA 196 Ca -0.44 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1bis h ALA 196 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bis h ALA 196 CO 0.53 0.45 -0.07 0.78 0.00 0.00 0.00 179.25 180.94 1bis h GLY 197 N 0.86 0.27 1.42 0.00 0.00 -1.59 -1.74 103.07 102.30 1bis h GLY 197 Ca 0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 47.33 47.06 1bis h GLY 197 CO -0.02 0.14 -1.40 0.83 0.00 0.00 0.00 176.54 176.10 1bis h GLU 198 N 0.25 0.23 -0.61 4.80 5.08 -1.50 -3.28 114.58 119.54 1bis h GLU 198 Ca 0.05 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1bis h GLU 198 Cb 0.29 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1bis h GLU 198 CO 0.01 1.12 0.14 0.00 -1.00 0.00 0.00 179.01 179.29 1bis h ARG 199 N 0.06 0.95 -0.13 2.33 3.08 -0.35 -2.52 114.38 117.80 1bis h ARG 199 Ca -0.19 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1bis h ARG 199 Cb 1.98 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.90 1bis h ARG 199 CO 0.17 0.85 -0.07 0.97 -1.07 0.00 0.00 179.97 180.82 1bis h ILE 200 N 0.91 1.32 -0.12 2.04 2.10 -1.45 -1.55 117.51 120.76 1bis h ILE 200 Ca 0.19 -1.12 -0.06 0.00 1.08 0.00 0.00 64.86 64.96 1bis h ILE 200 Cb 0.33 1.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 1bis h ILE 200 CO 0.00 0.33 -0.18 -0.37 -1.08 0.00 0.00 178.15 176.85 1bis h VAL 201 N -0.06 1.19 -0.19 2.19 -1.51 -1.61 -1.26 116.25 114.99 1bis h VAL 201 Ca 0.03 -0.87 -0.06 0.00 -1.23 0.00 0.00 66.70 64.58 1bis h VAL 201 Cb 0.54 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1bis h VAL 201 CO 0.02 0.26 -0.10 -0.78 -1.23 0.00 0.00 177.57 175.74 1bis h ASP 202 N 0.18 0.42 -0.15 4.19 3.58 -1.41 0.79 116.42 124.02 1bis h ASP 202 Ca 0.03 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1bis h ASP 202 Cb 0.43 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1bis h ASP 202 CO 0.03 0.75 0.05 0.40 -2.88 0.00 0.00 179.24 177.59 1bis h ILE 203 N 0.10 1.17 -0.37 2.25 2.04 -0.99 -1.13 117.51 120.57 1bis h ILE 203 Ca 0.04 -0.52 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 1bis h ILE 203 Cb 0.59 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1bis h ILE 203 CO 0.03 0.16 -0.26 0.40 0.00 0.00 0.00 178.15 178.48 1bis h ILE 204 N 0.07 1.27 -0.24 -0.67 2.04 -1.28 -1.98 117.51 116.73 1bis h ILE 204 Ca 0.05 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 1bis h ILE 204 Cb 0.20 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1bis h ILE 204 CO -0.00 0.46 -0.08 0.00 0.00 0.00 0.00 178.15 178.52 1bis h ALA 205 N 1.05 0.33 0.00 1.87 0.00 -0.75 -1.37 119.26 120.38 1bis h ALA 205 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1bis h ALA 205 Cb 0.78 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bis h ALA 205 CO 0.06 0.15 -0.10 1.79 0.00 0.00 0.00 179.25 181.16 1bis h THR 206 N 0.20 0.29 0.14 0.00 1.35 -1.17 -3.01 112.91 110.72 1bis h THR 206 Ca 0.06 -0.72 -0.29 0.00 -0.55 0.00 0.00 66.41 64.91 1bis h THR 206 Cb 0.57 1.56 0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1bis h THR 206 CO 0.03 0.10 -1.26 -0.78 -0.25 0.00 0.00 175.52 173.36 1bis h ASP 207 N 0.00 0.68 0.06 5.36 3.58 -1.05 -3.25 116.42 121.79 1bis h ASP 207 Ca -0.00 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.78 1bis h ASP 207 Cb 0.55 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1bis h ASP 207 CO 0.01 1.50 0.00 2.30 -2.88 0.00 0.00 179.24 180.17 1bis n ILE 208 N -3.68 0.20 -1.24 2.25 -5.35 -0.54 -5.09 119.36 105.90 1bis n ILE 208 Ca -0.12 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1bis n ILE 208 Cb 1.01 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 1bis n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79