#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gta s PRO 79 N 0.00 4.15 0.14 1.61 0.04 -1.26 -4.88 135.00 134.79 3gta s PRO 79 Ca 0.00 2.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 3gta s PRO 79 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 3gta s PRO 79 CO 0.00 -0.68 1.65 0.00 0.04 0.00 0.00 177.00 178.01 3gta h ALA 80 N 6.34 0.56 -2.33 8.56 0.00 -0.71 -3.37 119.26 128.32 3gta h ALA 80 Ca -0.44 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.71 3gta h ALA 80 Cb 1.21 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.43 3gta h ALA 80 CO 0.91 0.22 -0.90 1.19 0.00 0.00 0.00 179.25 180.67 3gta n PHE 81 N -4.56 0.60 -0.36 0.00 3.01 0.51 -5.00 117.46 111.66 3gta n PHE 81 Ca 0.00 -3.68 0.10 0.00 1.01 0.00 0.00 57.45 54.89 3gta n PHE 81 Cb 0.19 -0.20 0.28 0.00 -0.01 0.00 0.00 39.48 39.74 3gta n PHE 81 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3gta h PRO 82 N 4.82 0.86 0.00 -1.08 0.11 -1.77 -0.40 132.00 134.54 3gta h PRO 82 Ca 0.17 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3gta h PRO 82 Cb 0.84 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 3gta h PRO 82 CO 0.53 0.57 -0.02 0.78 -0.21 0.00 0.00 178.00 179.64 3gta h GLY 83 N 0.88 0.00 -1.54 -0.55 0.00 -1.94 -1.83 103.07 98.09 3gta h GLY 83 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3gta h GLY 83 CO -0.32 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.25 3gta n MET 84 N -4.13 2.10 0.22 4.80 2.81 -0.16 -3.81 117.12 118.95 3gta n MET 84 Ca -0.03 -1.11 0.15 0.00 -1.81 0.00 0.00 57.70 54.90 3gta n MET 84 Cb 0.11 -1.53 0.63 0.00 -0.71 0.00 0.00 33.22 31.72 3gta n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3gta h GLY 85 N 4.98 0.00 -5.53 3.03 0.00 -1.42 -3.42 103.07 100.71 3gta h GLY 85 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3gta h GLY 85 CO 0.10 0.00 0.84 -0.45 0.00 0.00 0.00 176.54 177.03 3gta s SER 86 N -5.04 6.97 0.30 0.19 0.15 -1.25 -4.94 113.70 110.07 3gta s SER 86 Ca 0.02 1.14 -0.01 0.00 0.70 0.00 0.00 55.95 57.80 3gta s SER 86 Cb 0.09 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.35 3gta s SER 86 CO 0.47 -0.84 1.92 -0.08 1.20 0.00 0.00 173.24 175.92 3gta h GLU 87 N 7.97 1.05 -0.76 5.44 4.81 -1.91 -1.16 114.58 130.02 3gta h GLU 87 Ca -0.20 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 3gta h GLU 87 Cb 1.06 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.16 3gta h GLU 87 CO 1.02 0.69 0.47 1.49 -0.73 0.00 0.00 179.01 181.96 3gta h GLU 88 N 1.08 0.88 -0.25 1.92 4.57 -1.96 0.35 114.58 121.17 3gta h GLU 88 Ca 0.37 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 3gta h GLU 88 Cb 0.10 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3gta h GLU 88 CO -0.12 0.58 -0.52 1.25 -1.18 0.00 0.00 179.01 179.02 3gta h LEU 89 N 0.91 0.80 -0.53 1.64 5.85 -1.76 -1.26 115.31 120.96 3gta h LEU 89 Ca 0.31 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3gta h LEU 89 Cb 0.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3gta h LEU 89 CO -0.13 1.17 0.30 0.03 -0.34 0.00 0.00 178.44 179.48 3gta h ARG 90 N 0.57 0.58 -0.83 1.25 3.08 -0.89 -2.26 114.38 115.88 3gta h ARG 90 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gta h ARG 90 Cb 1.09 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3gta h ARG 90 CO 0.11 0.38 0.43 1.25 -1.07 0.00 0.00 179.97 181.07 3gta h LEU 91 N 0.60 1.06 -1.46 3.04 5.85 -0.68 -2.49 115.31 121.23 3gta h LEU 91 Ca 0.22 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3gta h LEU 91 Cb 0.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3gta h LEU 91 CO -0.11 0.88 0.43 0.00 -0.34 0.00 0.00 178.44 179.30 3gta h ALA 92 N 1.23 1.77 -0.00 1.25 0.00 -0.82 -2.16 119.26 120.52 3gta h ALA 92 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gta h ALA 92 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gta h ALA 92 CO -0.04 0.13 0.02 0.66 0.00 0.00 0.00 179.25 180.02 3gta h SER 93 N 0.66 0.00 -0.22 0.00 4.64 -0.93 -2.14 113.55 115.56 3gta h SER 93 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3gta h SER 93 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3gta h SER 93 CO -0.09 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.36 3gta n PHE 94 N -3.19 0.48 0.10 4.77 3.72 -0.81 -4.22 117.46 118.31 3gta n PHE 94 Ca -0.03 -0.19 0.16 0.00 -0.05 0.00 0.00 57.45 57.34 3gta n PHE 94 Cb 0.09 -0.10 0.68 0.00 -0.94 0.00 0.00 39.48 39.21 3gta n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3gta h TYR 95 N 1.35 0.00 -0.22 1.38 -0.00 -1.57 -2.01 116.97 115.89 3gta h TYR 95 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.63 3gta h TYR 95 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.28 3gta h TYR 95 CO 0.25 0.00 -0.19 -0.40 -0.00 0.00 0.00 178.16 177.81 3gta n ASP 96 N -4.40 2.34 -4.69 0.10 5.75 -1.26 -5.03 116.55 109.36 3gta n ASP 96 Ca 0.05 -3.72 -0.44 0.00 -0.01 0.00 0.00 54.79 50.66 3gta n ASP 96 Cb 0.41 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3gta n ASP 96 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3gta n TRP 97 N -1.10 2.31 -1.75 2.11 -0.00 -0.76 -4.89 117.44 113.35 3gta n TRP 97 Ca 0.27 0.38 -0.40 0.00 -0.00 0.00 0.00 57.50 57.75 3gta n TRP 97 Cb 0.90 -2.50 0.01 0.00 -0.00 0.00 0.00 31.31 29.73 3gta n TRP 97 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3gta n PRO 98 N 2.21 2.26 0.07 5.87 -0.02 -1.26 -4.86 135.00 139.27 3gta n PRO 98 Ca 0.12 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 3gta n PRO 98 Cb 0.32 -2.60 0.43 0.00 -0.02 0.00 0.00 33.50 31.64 3gta n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gta n LEU 99 N -0.04 0.41 -0.12 2.45 4.77 -1.26 -1.85 117.00 121.37 3gta n LEU 99 Ca 0.05 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3gta n LEU 99 Cb 0.41 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.39 3gta n LEU 99 CO 0.60 -0.36 0.66 0.35 -1.33 0.00 0.00 177.39 177.31 3gta n THR 100 N -1.94 0.00 -1.39 -5.08 -2.24 -1.26 -4.98 114.28 97.39 3gta n THR 100 Ca 0.03 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3gta n THR 100 Cb 0.25 0.17 0.08 0.00 -2.10 0.00 0.00 70.33 68.73 3gta n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gta s ALA 101 N -2.69 2.23 -0.32 6.98 0.00 -0.77 -4.98 121.76 122.21 3gta s ALA 101 Ca 0.20 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.65 3gta s ALA 101 Cb 0.19 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 20.01 3gta s ALA 101 CO 0.57 -1.71 0.66 0.39 0.00 0.00 0.00 175.76 175.67 3gta n GLU 102 N -3.13 -0.04 -4.28 0.00 1.02 -1.26 -4.98 120.64 107.97 3gta n GLU 102 Ca 0.10 -0.82 -0.20 0.00 -0.02 0.00 0.00 57.16 56.23 3gta n GLU 102 Cb 0.52 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.73 3gta n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gta s VAL 103 N -0.35 0.65 0.26 2.62 1.01 -1.26 -4.23 120.40 119.09 3gta s VAL 103 Ca 0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3gta s VAL 103 Cb 0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 3gta s VAL 103 CO 0.03 0.23 1.03 -2.16 0.00 0.00 0.00 175.10 174.23 3gta s PRO 104 N 0.51 4.73 0.30 2.72 0.04 -1.26 -4.96 135.00 137.07 3gta s PRO 104 Ca -0.07 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.68 3gta s PRO 104 Cb -0.11 -3.23 0.77 0.00 0.04 0.00 0.00 34.50 31.96 3gta s PRO 104 CO 0.01 0.33 1.67 -1.35 0.04 0.00 0.00 177.00 177.70 3gta h PRO 105 N 4.04 0.29 -0.51 0.56 0.11 -1.98 -2.50 132.00 132.00 3gta h PRO 105 Ca -0.46 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.72 3gta h PRO 105 Cb 1.21 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 3gta h PRO 105 CO 0.68 0.19 0.09 1.49 -0.21 0.00 0.00 178.00 180.23 3gta h GLU 106 N 0.30 0.21 -0.29 1.05 4.81 -1.95 0.10 114.58 118.80 3gta h GLU 106 Ca 0.58 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.63 3gta h GLU 106 Cb 1.16 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3gta h GLU 106 CO -0.60 0.14 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.27 3gta h LEU 107 N 0.22 0.87 -0.07 1.64 3.38 -1.86 -2.56 115.31 116.92 3gta h LEU 107 Ca 0.26 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gta h LEU 107 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gta h LEU 107 CO -0.35 1.20 0.03 -0.07 0.09 0.00 0.00 178.44 179.34 3gta h LEU 108 N 0.63 0.10 -1.15 1.67 3.38 -1.12 -2.67 115.31 116.14 3gta h LEU 108 Ca 0.03 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gta h LEU 108 Cb 1.06 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3gta h LEU 108 CO 0.10 0.24 0.57 0.00 0.09 0.00 0.00 178.44 179.45 3gta h ALA 109 N 0.86 1.40 0.00 1.53 0.00 -1.03 -1.98 119.26 120.04 3gta h ALA 109 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gta h ALA 109 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gta h ALA 109 CO -0.00 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.66 3gta h ALA 110 N 1.47 1.74 -0.39 0.00 0.00 -1.28 -2.39 119.26 118.40 3gta h ALA 110 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gta h ALA 110 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gta h ALA 110 CO -0.08 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3gta n ALA 111 N -2.50 2.94 -0.32 0.00 0.00 -0.80 -4.90 120.51 114.92 3gta n ALA 111 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3gta n ALA 111 Cb 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3gta n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gta n GLY 112 N 0.74 0.70 3.85 0.00 0.00 -0.90 -4.90 105.19 104.68 3gta n GLY 112 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3gta n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gta s PHE 113 N -2.66 3.61 0.12 1.61 0.08 -0.85 -1.60 117.98 118.30 3gta s PHE 113 Ca 0.00 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.01 3gta s PHE 113 Cb 0.00 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3gta s PHE 113 CO 0.00 0.50 -0.11 -0.59 -0.10 0.00 0.00 175.22 174.92 3gta s PHE 114 N -1.39 1.21 0.08 0.36 -0.12 -0.29 -3.58 117.98 114.25 3gta s PHE 114 Ca 0.34 -0.68 -0.28 0.00 -0.05 0.00 0.00 56.93 56.26 3gta s PHE 114 Cb -0.15 -0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 41.55 3gta s PHE 114 CO 0.18 0.06 0.88 -1.58 -0.05 0.00 0.00 175.22 174.71 3gta s HIS 115 N -2.76 3.78 -1.02 3.49 5.65 -1.26 -1.24 115.29 121.92 3gta s HIS 115 Ca 0.11 1.66 0.28 0.00 0.25 0.00 0.00 55.06 57.36 3gta s HIS 115 Cb -0.01 -2.95 1.11 0.00 -1.18 0.00 0.00 32.58 29.55 3gta s HIS 115 CO 0.01 0.23 1.84 0.25 -0.65 0.00 0.00 174.74 176.42 3gta n THR 116 N 2.82 0.00 -0.33 0.89 -2.24 -0.89 -4.87 114.28 109.67 3gta n THR 116 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gta n THR 116 Cb 0.50 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3gta n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gta n GLY 117 N 1.49 0.75 2.92 3.38 0.00 -1.26 -5.06 105.19 107.41 3gta n GLY 117 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3gta n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gta s HIS 118 N -2.33 1.29 0.00 1.61 3.76 -1.26 -5.08 115.29 113.28 3gta s HIS 118 Ca 0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 3gta s HIS 118 Cb 0.00 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.63 3gta s HIS 118 CO 0.00 -0.38 0.00 1.04 -0.85 0.00 0.00 174.74 174.55 3gta n GLN 119 N 4.52 0.00 -1.22 1.40 3.00 -1.26 -2.19 117.38 121.64 3gta n GLN 119 Ca -0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 3gta n GLN 119 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 30.24 30.90 3gta n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3gta n ASP 120 N -1.91 4.44 -4.71 1.08 5.75 -1.26 -4.44 116.55 115.50 3gta n ASP 120 Ca 0.00 -3.68 -0.42 0.00 -0.01 0.00 0.00 54.79 50.68 3gta n ASP 120 Cb 0.00 -0.83 -0.03 0.00 -1.03 0.00 0.00 41.12 39.23 3gta n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gta s LYS 121 N -3.41 4.49 0.20 0.11 1.02 -0.93 -4.43 119.74 116.79 3gta s LYS 121 Ca 0.57 1.63 0.07 0.00 0.02 0.00 0.00 55.97 58.25 3gta s LYS 121 Cb 0.47 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 3gta s LYS 121 CO 0.07 -0.15 -0.12 0.14 -0.92 0.00 0.00 175.35 174.36 3gta s VAL 122 N 0.97 1.56 0.05 3.17 -7.23 -0.10 -2.09 120.40 116.72 3gta s VAL 122 Ca 0.56 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3gta s VAL 122 Cb -0.26 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3gta s VAL 122 CO 0.29 -0.59 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.26 3gta s ARG 123 N -3.69 0.61 0.07 4.82 0.52 -0.38 -1.51 118.95 119.40 3gta s ARG 123 Ca 0.22 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 3gta s ARG 123 Cb 0.01 -0.45 -0.06 0.00 0.52 0.00 0.00 34.95 34.97 3gta s ARG 123 CO 0.06 0.09 1.15 0.00 0.02 0.00 0.00 175.30 176.62 3gta h PHE 125 N 6.49 0.00 0.00 0.00 -0.00 -1.60 -2.17 116.94 119.65 3gta h PHE 125 Ca -0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.47 3gta h PHE 125 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3gta h PHE 125 CO 0.66 0.04 -0.85 0.34 -0.00 0.00 0.00 178.31 178.49 3gta n PHE 126 N -4.02 0.76 1.13 6.09 -0.00 -1.26 -0.36 117.46 119.80 3gta n PHE 126 Ca -0.03 0.33 0.12 0.00 -0.00 0.00 0.00 57.45 57.88 3gta n PHE 126 Cb 0.12 -0.82 0.24 0.00 -0.00 0.00 0.00 39.48 39.03 3gta n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gta n TYR 128 N -0.81 0.00 -1.66 0.00 4.19 -0.82 -4.95 117.16 113.11 3gta n TYR 128 Ca 0.09 0.00 -0.48 0.00 3.31 0.00 0.00 57.90 60.82 3gta n TYR 128 Cb 0.36 -0.03 -0.05 0.00 0.49 0.00 0.00 39.34 40.12 3gta n TYR 128 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3gta n GLY 129 N -1.99 1.06 3.70 2.98 0.00 -1.26 -4.32 105.19 105.35 3gta n GLY 129 Ca 0.00 0.73 -0.35 0.00 0.00 0.00 0.00 46.02 46.40 3gta n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gta s GLY 130 N 1.72 1.88 0.02 -0.02 0.00 -1.26 -1.43 107.32 108.23 3gta s GLY 130 Ca 0.84 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.78 3gta s GLY 130 CO 0.45 -0.52 -0.03 1.08 0.00 0.00 0.00 173.10 174.07 3gta s LEU 131 N -0.84 2.15 0.00 0.66 1.43 -0.57 -4.99 118.68 116.53 3gta s LEU 131 Ca 0.13 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3gta s LEU 131 Cb -0.11 -0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.09 3gta s LEU 131 CO 0.02 -0.16 0.29 0.00 0.23 0.00 0.00 176.35 176.73 3gta n GLN 132 N 2.14 0.42 -3.73 1.70 10.64 -1.26 -0.92 117.38 126.36 3gta n GLN 132 Ca -0.19 -1.99 -0.22 0.00 -1.83 0.00 0.00 57.00 52.77 3gta n GLN 132 Cb 0.57 1.83 0.03 0.00 -0.86 0.00 0.00 30.24 31.80 3gta n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3gta n SER 133 N -1.88 -1.23 -4.74 2.61 7.64 -1.26 -4.92 113.62 109.84 3gta n SER 133 Ca 0.02 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 3gta n SER 133 Cb 0.40 -3.96 -0.02 0.00 -1.01 0.00 0.00 64.21 59.62 3gta n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3gta s TRP 134 N -3.68 3.01 0.12 1.43 0.52 -1.26 -5.02 118.94 114.06 3gta s TRP 134 Ca 0.03 1.01 0.06 0.00 0.02 0.00 0.00 56.10 57.22 3gta s TRP 134 Cb -0.02 -3.83 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 3gta s TRP 134 CO 0.82 -2.71 -0.03 0.15 0.02 0.00 0.00 176.95 175.20 3gta s LYS 135 N -0.33 2.37 0.10 4.98 -0.14 -1.26 -4.34 119.74 121.10 3gta s LYS 135 Ca 0.60 -0.99 -0.36 0.00 -1.36 0.00 0.00 55.97 53.86 3gta s LYS 135 Cb -0.42 -2.41 -0.16 0.00 -1.68 0.00 0.00 37.83 33.17 3gta s LYS 135 CO 0.43 0.50 1.41 -2.13 -0.76 0.00 0.00 175.35 174.80 3gta n ARG 136 N 0.37 1.40 0.00 1.68 0.63 -1.26 -1.16 116.66 118.33 3gta n ARG 136 Ca -0.11 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3gta n ARG 136 Cb 0.53 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.26 3gta n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gta n GLY 137 N 2.78 1.68 3.74 5.14 0.00 -1.26 -5.04 105.19 112.24 3gta n GLY 137 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gta n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gta n ASP 138 N 0.00 3.59 -4.36 1.61 8.00 -0.31 -4.99 116.55 120.09 3gta n ASP 138 Ca 0.00 1.18 -0.37 0.00 0.71 0.00 0.00 54.79 56.31 3gta n ASP 138 Cb 0.00 -1.57 -0.12 0.00 -0.02 0.00 0.00 41.12 39.40 3gta n ASP 138 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gta s ASP 139 N 0.14 5.20 0.28 -2.24 2.15 -1.26 -4.99 116.67 115.94 3gta s ASP 139 Ca 0.59 -0.67 0.01 0.00 0.43 0.00 0.00 52.55 52.91 3gta s ASP 139 Cb -0.51 -1.90 0.64 0.00 -0.30 0.00 0.00 42.92 40.85 3gta s ASP 139 CO 0.56 -0.19 1.70 -0.65 -0.17 0.00 0.00 175.17 176.42 3gta h PRO 140 N 8.25 0.37 -0.54 4.34 0.11 -1.94 -0.97 132.00 141.62 3gta h PRO 140 Ca -0.32 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3gta h PRO 140 Cb 1.13 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3gta h PRO 140 CO 0.61 0.24 0.13 -1.49 -0.21 0.00 0.00 178.00 177.28 3gta h TRP 141 N 0.38 0.92 -0.43 0.65 -0.00 -1.90 -0.37 115.95 115.20 3gta h TRP 141 Ca 0.51 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 59.28 3gta h TRP 141 Cb 0.94 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.82 3gta h TRP 141 CO -0.17 0.80 0.23 1.15 -0.00 0.00 0.00 178.44 180.45 3gta h THR 142 N 0.77 1.16 -0.49 1.49 2.02 -1.73 -1.61 112.91 114.53 3gta h THR 142 Ca 0.17 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 3gta h THR 142 Cb 0.35 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3gta h THR 142 CO 0.00 0.17 -0.05 -0.33 0.37 0.00 0.00 175.52 175.69 3gta h GLU 143 N 0.56 0.85 -0.49 6.66 4.39 -1.06 0.38 114.58 125.88 3gta h GLU 143 Ca 0.15 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.64 3gta h GLU 143 Cb 0.06 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 3gta h GLU 143 CO -0.02 0.88 0.23 1.25 -1.16 0.00 0.00 179.01 180.18 3gta h HIS 144 N 0.78 0.42 -0.30 4.33 2.76 -0.73 -1.50 115.15 120.89 3gta h HIS 144 Ca 0.14 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 3gta h HIS 144 Cb 0.53 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 3gta h HIS 144 CO 0.03 0.19 -0.48 0.00 -1.30 0.00 0.00 177.93 176.37 3gta h ALA 145 N 1.28 0.57 -0.27 5.26 0.00 -0.94 -0.53 119.26 124.63 3gta h ALA 145 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gta h ALA 145 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gta h ALA 145 CO -0.17 0.68 0.17 0.87 0.00 0.00 0.00 179.25 180.80 3gta h LYS 146 N 0.65 0.34 0.00 0.00 1.57 -0.60 -3.18 116.57 115.36 3gta h LYS 146 Ca 0.03 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 3gta h LYS 146 Cb 1.06 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 3gta h LYS 146 CO 0.11 0.23 -2.07 0.91 -0.57 0.00 0.00 179.45 178.05 3gta n TRP 147 N -4.91 0.47 -3.00 -1.35 7.02 -0.59 -4.61 117.44 110.45 3gta n TRP 147 Ca -0.02 0.17 -0.21 0.00 -1.02 0.00 0.00 57.50 56.42 3gta n TRP 147 Cb 0.03 -1.09 -0.03 0.00 -2.42 0.00 0.00 31.31 27.81 3gta n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gta n PHE 148 N -2.89 1.94 0.27 -5.99 3.72 -0.21 -4.94 117.46 109.37 3gta n PHE 148 Ca -0.25 -3.75 0.14 0.00 -0.05 0.00 0.00 57.45 53.53 3gta n PHE 148 Cb 1.11 -0.42 0.67 0.00 -0.94 0.00 0.00 39.48 39.90 3gta n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gta h PRO 149 N 2.96 0.00 -0.01 -1.08 0.13 -1.69 -2.03 132.00 130.28 3gta h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gta h PRO 149 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3gta h PRO 149 CO 0.64 0.00 -0.05 0.41 -0.23 0.00 0.00 178.00 178.77 3gta n GLY 150 N -0.73 -0.44 3.70 1.56 0.00 -1.26 -4.89 105.19 103.13 3gta n GLY 150 Ca -0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3gta n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gta h GLN 152 N 7.95 0.12 -0.23 0.00 4.20 -1.91 -1.32 115.11 123.91 3gta h GLN 152 Ca -0.43 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 3gta h GLN 152 Cb 1.21 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3gta h GLN 152 CO 0.93 0.68 0.05 0.35 -0.67 0.00 0.00 178.83 180.17 3gta h PHE 153 N 0.09 0.40 -0.38 2.96 3.57 -1.97 -0.67 116.94 120.93 3gta h PHE 153 Ca -0.01 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3gta h PHE 153 Cb 1.08 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3gta h PHE 153 CO 0.01 0.49 0.07 1.25 -2.23 0.00 0.00 178.31 177.90 3gta h LEU 154 N 0.19 -0.00 -0.15 0.59 5.85 -1.91 -0.90 115.31 118.98 3gta h LEU 154 Ca 0.07 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3gta h LEU 154 Cb 0.30 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3gta h LEU 154 CO 0.00 0.03 0.09 0.25 -0.34 0.00 0.00 178.44 178.48 3gta h LEU 155 N 0.19 0.18 -1.28 2.25 5.85 -1.12 -0.13 115.31 121.25 3gta h LEU 155 Ca 0.18 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3gta h LEU 155 Cb 0.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3gta h LEU 155 CO -0.25 0.16 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.90 3gta h ARG 156 N 0.17 0.46 0.19 1.25 9.65 -0.98 -0.22 114.38 124.90 3gta h ARG 156 Ca 0.05 -0.10 -0.31 0.00 -1.10 0.00 0.00 59.98 58.52 3gta h ARG 156 Cb 0.02 -0.07 0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3gta h ARG 156 CO -0.01 0.51 -1.35 0.77 2.80 0.00 0.00 179.97 182.68 3gta h SER 157 N 0.44 0.76 0.00 -3.80 0.02 -0.85 -3.41 113.55 106.71 3gta h SER 157 Ca 0.09 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 3gta h SER 157 Cb 0.33 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3gta h SER 157 CO 0.01 1.60 -1.06 0.29 -1.14 0.00 0.00 176.83 176.53 3gta n LYS 158 N -3.70 1.16 0.00 3.45 4.76 -0.09 -5.09 118.16 118.65 3gta n LYS 158 Ca -0.14 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 3gta n LYS 158 Cb 1.05 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 3gta n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gta n GLY 159 N 2.58 -0.76 0.25 0.72 0.00 -0.10 -4.41 105.19 103.47 3gta n GLY 159 Ca -0.01 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 3gta n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gta h GLN 160 N 0.00 0.66 -0.81 1.61 5.75 -1.93 -3.11 115.11 117.28 3gta h GLN 160 Ca 0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 3gta h GLN 160 Cb 0.00 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3gta h GLN 160 CO 0.00 0.89 0.53 1.49 -2.65 0.00 0.00 178.83 179.09 3gta h GLU 161 N 0.56 1.05 -0.49 1.69 4.81 -1.99 0.17 114.58 120.39 3gta h GLU 161 Ca 0.06 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3gta h GLU 161 Cb 0.81 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 3gta h GLU 161 CO 0.07 0.70 0.21 -0.92 -0.73 0.00 0.00 179.01 178.33 3gta h TYR 162 N 1.08 0.38 0.02 0.92 3.20 -1.75 0.03 116.97 120.85 3gta h TYR 162 Ca 0.30 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3gta h TYR 162 Cb -0.11 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3gta h TYR 162 CO -0.02 0.16 -0.01 0.82 -1.64 0.00 0.00 178.16 177.47 3gta h ILE 163 N 0.41 1.23 -0.65 1.81 2.04 -1.39 -2.87 117.51 118.10 3gta h ILE 163 Ca 0.23 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3gta h ILE 163 Cb 0.19 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3gta h ILE 163 CO -0.20 0.20 0.38 0.78 0.00 0.00 0.00 178.15 179.32 3gta h ASN 164 N -0.37 0.60 -0.99 1.72 4.21 -0.85 -2.60 115.58 117.29 3gta h ASN 164 Ca -0.00 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.56 3gta h ASN 164 Cb 0.35 -0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.38 3gta h ASN 164 CO 0.01 0.41 0.65 -1.13 -1.29 0.00 0.00 177.43 176.08 3gta h ASN 165 N 0.73 1.08 -0.75 5.81 -1.24 -0.95 0.45 115.58 120.71 3gta h ASN 165 Ca 0.27 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.24 3gta h ASN 165 Cb 0.09 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 3gta h ASN 165 CO -0.13 0.74 0.33 0.40 -1.29 0.00 0.00 177.43 177.48 3gta h ILE 166 N 1.26 1.25 -0.02 2.57 2.04 -1.24 0.02 117.51 123.39 3gta h ILE 166 Ca 0.40 -0.74 -0.15 0.00 1.00 0.00 0.00 64.86 65.37 3gta h ILE 166 Cb 0.00 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3gta h ILE 166 CO -0.12 0.31 -0.68 0.45 0.00 0.00 0.00 178.15 178.11 3gta h HIS 167 N 1.07 0.13 -0.04 1.37 3.86 -1.07 -3.23 115.15 117.24 3gta h HIS 167 Ca 0.26 -0.05 -0.26 0.00 -1.16 0.00 0.00 60.37 59.16 3gta h HIS 167 Cb 0.17 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.63 3gta h HIS 167 CO 0.01 0.74 -0.97 -0.07 0.86 0.00 0.00 177.93 178.50 3gta h LEU 168 N 0.06 0.92 0.00 2.43 3.38 -0.70 -3.52 115.31 117.89 3gta h LEU 168 Ca -0.01 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3gta h LEU 168 Cb 1.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3gta h LEU 168 CO 0.09 1.50 0.00 0.35 0.09 0.00 0.00 178.44 180.48