#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7i s PRO 79 N 0.00 4.17 0.12 1.61 0.04 -1.26 -4.89 135.00 134.80 3f7i s PRO 79 Ca 0.00 2.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 3f7i s PRO 79 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 3f7i s PRO 79 CO 0.00 -0.64 1.59 0.00 0.04 0.00 0.00 177.00 177.99 3f7i h ALA 80 N 6.25 0.50 -2.54 8.56 0.00 -0.67 -3.37 119.26 128.01 3f7i h ALA 80 Ca -0.44 -0.22 -0.60 0.00 0.00 0.00 0.00 54.91 53.65 3f7i h ALA 80 Cb 1.21 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 3f7i h ALA 80 CO 0.89 0.23 -0.81 1.19 0.00 0.00 0.00 179.25 180.76 3f7i n PHE 81 N -4.52 1.18 -0.30 0.00 3.01 0.13 -5.00 117.46 111.95 3f7i n PHE 81 Ca -0.01 -3.80 0.07 0.00 1.01 0.00 0.00 57.45 54.72 3f7i n PHE 81 Cb 0.24 -0.23 0.23 0.00 -0.01 0.00 0.00 39.48 39.71 3f7i n PHE 81 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3f7i h PRO 82 N 5.13 0.63 -0.05 -1.08 0.11 -1.77 -0.48 132.00 134.49 3f7i h PRO 82 Ca 0.19 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.28 3f7i h PRO 82 Cb 0.82 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 3f7i h PRO 82 CO 0.56 0.42 0.04 0.78 -0.21 0.00 0.00 178.00 179.59 3f7i h GLY 83 N 0.65 0.00 -1.18 -0.55 0.00 -1.94 -1.17 103.07 98.88 3f7i h GLY 83 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3f7i h GLY 83 CO -0.35 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.22 3f7i n MET 84 N -4.44 1.72 0.25 4.80 2.81 -0.19 -3.54 117.12 118.53 3f7i n MET 84 Ca -0.02 -0.75 0.16 0.00 -1.81 0.00 0.00 57.70 55.29 3f7i n MET 84 Cb 0.14 -1.42 0.68 0.00 -0.71 0.00 0.00 33.22 31.91 3f7i n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3f7i h GLY 85 N 5.17 0.00 -5.64 3.03 0.00 -1.28 -3.42 103.07 100.93 3f7i h GLY 85 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3f7i h GLY 85 CO 0.06 0.00 0.89 -0.45 0.00 0.00 0.00 176.54 177.04 3f7i s SER 86 N -5.29 6.87 0.34 0.19 0.15 -1.23 -4.92 113.70 109.80 3f7i s SER 86 Ca 0.01 1.21 0.01 0.00 0.70 0.00 0.00 55.95 57.88 3f7i s SER 86 Cb 0.09 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.44 3f7i s SER 86 CO 0.49 -0.91 2.00 -0.08 1.20 0.00 0.00 173.24 175.94 3f7i h GLU 87 N 8.41 0.91 -0.74 5.44 4.81 -1.91 -0.98 114.58 130.51 3f7i h GLU 87 Ca -0.23 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3f7i h GLU 87 Cb 1.08 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3f7i h GLU 87 CO 1.02 0.60 0.41 1.49 -0.73 0.00 0.00 179.01 181.80 3f7i h GLU 88 N 0.93 1.03 -0.47 1.92 4.57 -1.96 -0.08 114.58 120.53 3f7i h GLU 88 Ca 0.26 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 3f7i h GLU 88 Cb -0.09 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.28 3f7i h GLU 88 CO -0.06 0.77 -0.16 1.25 -1.18 0.00 0.00 179.01 179.63 3f7i h LEU 89 N 1.02 0.91 -0.66 1.64 5.85 -1.78 -1.06 115.31 121.24 3f7i h LEU 89 Ca 0.26 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3f7i h LEU 89 Cb 0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3f7i h LEU 89 CO -0.04 1.06 0.42 0.03 -0.34 0.00 0.00 178.44 179.57 3f7i h ARG 90 N 0.80 0.82 -0.69 1.25 3.08 -0.84 -2.35 114.38 116.45 3f7i h ARG 90 Ca 0.12 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 3f7i h ARG 90 Cb 0.70 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3f7i h ARG 90 CO 0.05 0.54 0.15 1.25 -1.07 0.00 0.00 179.97 180.90 3f7i h LEU 91 N 0.85 1.06 -1.50 3.04 5.85 -0.73 -2.54 115.31 121.33 3f7i h LEU 91 Ca 0.26 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3f7i h LEU 91 Cb -0.03 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3f7i h LEU 91 CO -0.08 1.03 0.44 0.00 -0.34 0.00 0.00 178.44 179.49 3f7i h ALA 92 N 1.07 1.87 0.00 1.25 0.00 -0.83 -2.30 119.26 120.32 3f7i h ALA 92 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f7i h ALA 92 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f7i h ALA 92 CO 0.01 -0.00 -0.00 0.66 0.00 0.00 0.00 179.25 179.91 3f7i h SER 93 N 0.57 0.00 -0.24 0.00 4.64 -0.98 -2.15 113.55 115.39 3f7i h SER 93 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3f7i h SER 93 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3f7i h SER 93 CO -0.10 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.36 3f7i n PHE 94 N -3.29 0.47 0.00 4.77 3.72 -0.86 -4.25 117.46 118.02 3f7i n PHE 94 Ca -0.03 -0.20 0.20 0.00 -0.05 0.00 0.00 57.45 57.37 3f7i n PHE 94 Cb 0.09 -0.08 0.69 0.00 -0.94 0.00 0.00 39.48 39.24 3f7i n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3f7i h TYR 95 N 1.48 0.00 -0.22 1.38 -0.00 -1.57 -1.86 116.97 116.18 3f7i h TYR 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.62 3f7i h TYR 95 Cb 0.56 -0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.23 3f7i h TYR 95 CO 0.24 0.00 -0.20 -0.40 -0.00 0.00 0.00 178.16 177.80 3f7i n ASP 96 N -4.38 2.30 -4.69 0.10 5.75 -1.26 -5.04 116.55 109.33 3f7i n ASP 96 Ca 0.10 -3.75 -0.44 0.00 -0.01 0.00 0.00 54.79 50.68 3f7i n ASP 96 Cb 0.60 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 3f7i n ASP 96 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3f7i n TRP 97 N -1.11 2.38 -1.72 2.11 -0.00 -0.70 -4.89 117.44 113.51 3f7i n TRP 97 Ca 0.27 0.32 -0.40 0.00 -0.00 0.00 0.00 57.50 57.69 3f7i n TRP 97 Cb 0.90 -2.53 0.02 0.00 -0.00 0.00 0.00 31.31 29.70 3f7i n TRP 97 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3f7i n PRO 98 N 2.61 2.00 0.08 5.87 -0.02 -1.26 -4.86 135.00 139.42 3f7i n PRO 98 Ca 0.13 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 3f7i n PRO 98 Cb 0.32 -2.47 0.44 0.00 -0.02 0.00 0.00 33.50 31.77 3f7i n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3f7i n LEU 99 N -0.02 0.45 -0.07 2.45 4.77 -1.26 -1.90 117.00 121.43 3f7i n LEU 99 Ca 0.06 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 3f7i n LEU 99 Cb 0.41 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.40 3f7i n LEU 99 CO 0.59 -0.37 0.67 0.35 -1.33 0.00 0.00 177.39 177.29 3f7i n THR 100 N -1.98 0.00 -1.18 -5.08 -2.24 -1.26 -4.98 114.28 97.57 3f7i n THR 100 Ca 0.03 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3f7i n THR 100 Cb 0.25 0.06 0.11 0.00 -2.10 0.00 0.00 70.33 68.65 3f7i n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7i s ALA 101 N -2.81 2.07 0.00 6.98 0.00 -0.80 -4.99 121.76 122.21 3f7i s ALA 101 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3f7i s ALA 101 Cb 0.19 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3f7i s ALA 101 CO 0.59 -1.98 0.52 0.39 0.00 0.00 0.00 175.76 175.28 3f7i n GLU 102 N -3.54 -0.44 -4.37 0.00 1.02 -1.26 -5.00 120.64 107.05 3f7i n GLU 102 Ca 0.10 -0.58 -0.21 0.00 -0.02 0.00 0.00 57.16 56.45 3f7i n GLU 102 Cb 0.52 -0.96 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 3f7i n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f7i s VAL 103 N -0.12 0.79 0.27 2.62 1.01 -1.26 -4.19 120.40 119.52 3f7i s VAL 103 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 3f7i s VAL 103 Cb 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 3f7i s VAL 103 CO 0.00 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.28 3f7i s PRO 104 N 0.47 4.67 0.28 2.72 0.04 -1.26 -4.96 135.00 136.96 3f7i s PRO 104 Ca -0.08 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.73 3f7i s PRO 104 Cb -0.12 -3.21 0.67 0.00 0.04 0.00 0.00 34.50 31.89 3f7i s PRO 104 CO 0.01 0.24 1.67 -1.35 0.04 0.00 0.00 177.00 177.61 3f7i h PRO 105 N 3.95 0.27 -0.51 0.56 0.11 -1.98 -2.47 132.00 131.93 3f7i h PRO 105 Ca -0.46 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3f7i h PRO 105 Cb 1.21 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3f7i h PRO 105 CO 0.67 0.18 0.15 1.49 -0.21 0.00 0.00 178.00 180.29 3f7i h GLU 106 N 0.28 0.31 -0.41 1.05 4.22 -1.95 0.12 114.58 118.19 3f7i h GLU 106 Ca 0.53 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.81 3f7i h GLU 106 Cb 1.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3f7i h GLU 106 CO -0.59 0.20 -0.31 -0.07 -2.18 0.00 0.00 179.01 176.06 3f7i h LEU 107 N 0.32 0.97 -0.22 1.64 3.38 -1.87 -2.54 115.31 116.99 3f7i h LEU 107 Ca 0.25 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3f7i h LEU 107 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3f7i h LEU 107 CO -0.28 1.19 0.07 -0.07 0.09 0.00 0.00 178.44 179.45 3f7i h LEU 108 N 0.78 0.31 -0.92 1.67 3.38 -0.95 -2.69 115.31 116.89 3f7i h LEU 108 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3f7i h LEU 108 Cb 0.89 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3f7i h LEU 108 CO 0.08 0.42 0.59 0.00 0.09 0.00 0.00 178.44 179.62 3f7i h ALA 109 N 0.90 1.17 0.00 1.53 0.00 -0.80 -2.06 119.26 120.01 3f7i h ALA 109 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3f7i h ALA 109 Cb 0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3f7i h ALA 109 CO -0.00 0.59 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 3f7i h ALA 110 N 1.32 1.49 -0.47 0.00 0.00 -1.30 -2.11 119.26 118.20 3f7i h ALA 110 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f7i h ALA 110 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3f7i h ALA 110 CO -0.07 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3f7i n ALA 111 N -2.36 2.90 -0.29 0.00 0.00 -0.85 -4.91 120.51 114.99 3f7i n ALA 111 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3f7i n ALA 111 Cb 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3f7i n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7i n GLY 112 N 0.93 0.67 3.85 0.00 0.00 -0.79 -4.89 105.19 104.96 3f7i n GLY 112 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3f7i n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7i s PHE 113 N -2.60 3.62 0.12 1.61 0.08 -0.83 -1.61 117.98 118.36 3f7i s PHE 113 Ca 0.00 0.97 0.05 0.00 0.12 0.00 0.00 56.93 58.07 3f7i s PHE 113 Cb 0.00 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3f7i s PHE 113 CO 0.00 0.49 -0.12 -0.59 -0.10 0.00 0.00 175.22 174.90 3f7i s PHE 114 N -1.39 1.26 0.08 0.36 -0.12 -0.31 -3.50 117.98 114.36 3f7i s PHE 114 Ca 0.35 -0.62 -0.29 0.00 -0.05 0.00 0.00 56.93 56.31 3f7i s PHE 114 Cb -0.15 -0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 41.52 3f7i s PHE 114 CO 0.18 0.09 0.93 -1.58 -0.05 0.00 0.00 175.22 174.79 3f7i s HIS 115 N -2.44 3.78 -0.86 3.49 5.65 -1.26 -1.18 115.29 122.47 3f7i s HIS 115 Ca 0.09 1.73 0.27 0.00 0.25 0.00 0.00 55.06 57.41 3f7i s HIS 115 Cb -0.03 -3.03 1.00 0.00 -1.18 0.00 0.00 32.58 29.35 3f7i s HIS 115 CO 0.02 0.19 1.84 0.25 -0.65 0.00 0.00 174.74 176.38 3f7i n THR 116 N 2.95 0.30 -0.22 0.89 -2.24 -0.81 -4.85 114.28 110.30 3f7i n THR 116 Ca 0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3f7i n THR 116 Cb 0.50 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3f7i n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f7i n GLY 117 N 1.40 0.80 2.86 3.38 0.00 -1.26 -5.07 105.19 107.30 3f7i n GLY 117 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3f7i n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f7i s HIS 118 N -2.14 1.07 0.00 1.61 3.76 -1.26 -5.08 115.29 113.25 3f7i s HIS 118 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3f7i s HIS 118 Cb 0.00 -0.98 0.00 0.00 1.11 0.00 0.00 32.58 32.71 3f7i s HIS 118 CO 0.00 -0.38 0.00 1.04 -0.85 0.00 0.00 174.74 174.55 3f7i n GLN 119 N 4.81 0.00 -1.17 1.40 3.00 -1.26 -1.97 117.38 122.18 3f7i n GLN 119 Ca -0.13 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.65 3f7i n GLN 119 Cb 0.50 0.00 0.17 0.00 0.00 0.00 0.00 30.24 30.91 3f7i n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3f7i n ASP 120 N -1.47 4.01 -4.71 1.08 5.75 -1.26 -4.44 116.55 115.51 3f7i n ASP 120 Ca 0.00 -3.68 -0.42 0.00 -0.01 0.00 0.00 54.79 50.68 3f7i n ASP 120 Cb 0.00 -0.80 -0.03 0.00 -1.03 0.00 0.00 41.12 39.26 3f7i n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3f7i s LYS 121 N -3.37 4.42 0.17 0.11 1.02 -0.83 -4.44 119.74 116.83 3f7i s LYS 121 Ca 0.55 1.80 0.07 0.00 0.02 0.00 0.00 55.97 58.40 3f7i s LYS 121 Cb 0.47 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3f7i s LYS 121 CO 0.07 -0.27 -0.13 0.14 -0.92 0.00 0.00 175.35 174.23 3f7i s VAL 122 N 1.05 1.52 0.05 3.17 -7.23 0.03 -1.93 120.40 117.06 3f7i s VAL 122 Ca 0.59 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3f7i s VAL 122 Cb -0.30 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 3f7i s VAL 122 CO 0.29 -0.60 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.24 3f7i s ARG 123 N -3.48 0.71 0.08 4.82 0.52 -0.32 -1.30 118.95 119.98 3f7i s ARG 123 Ca 0.18 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.28 3f7i s ARG 123 Cb -0.01 -0.63 -0.06 0.00 0.52 0.00 0.00 34.95 34.77 3f7i s ARG 123 CO 0.04 0.14 1.13 0.00 0.02 0.00 0.00 175.30 176.64 3f7i h PHE 125 N 6.37 0.00 0.00 0.00 -0.00 -1.60 -1.75 116.94 119.97 3f7i h PHE 125 Ca -0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.46 3f7i h PHE 125 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3f7i h PHE 125 CO 0.66 0.06 -0.92 0.34 -0.00 0.00 0.00 178.31 178.45 3f7i n PHE 126 N -3.96 0.71 1.16 6.09 -0.00 -1.26 0.18 117.46 120.39 3f7i n PHE 126 Ca -0.03 0.31 0.12 0.00 -0.00 0.00 0.00 57.45 57.86 3f7i n PHE 126 Cb 0.15 -0.81 0.28 0.00 -0.00 0.00 0.00 39.48 39.10 3f7i n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3f7i n TYR 128 N -0.70 0.00 -1.66 0.00 4.19 -0.66 -4.95 117.16 113.38 3f7i n TYR 128 Ca 0.10 0.00 -0.51 0.00 3.31 0.00 0.00 57.90 60.80 3f7i n TYR 128 Cb 0.36 -0.09 -0.06 0.00 0.49 0.00 0.00 39.34 40.04 3f7i n TYR 128 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3f7i n GLY 129 N -1.98 0.96 3.67 2.98 0.00 -1.26 -4.33 105.19 105.22 3f7i n GLY 129 Ca 0.00 0.79 -0.35 0.00 0.00 0.00 0.00 46.02 46.46 3f7i n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f7i s GLY 130 N 2.25 1.87 0.01 -0.02 0.00 -1.26 -1.26 107.32 108.90 3f7i s GLY 130 Ca 0.89 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.83 3f7i s GLY 130 CO 0.51 -0.42 -0.04 1.08 0.00 0.00 0.00 173.10 174.23 3f7i s LEU 131 N -0.60 2.08 0.00 0.66 1.43 -0.42 -4.99 118.68 116.85 3f7i s LEU 131 Ca 0.10 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3f7i s LEU 131 Cb -0.12 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 3f7i s LEU 131 CO 0.02 -0.06 0.19 0.00 0.23 0.00 0.00 176.35 176.74 3f7i n GLN 132 N 2.54 0.28 -3.71 1.70 10.64 -1.26 -0.79 117.38 126.78 3f7i n GLN 132 Ca -0.16 -1.97 -0.22 0.00 -1.83 0.00 0.00 57.00 52.82 3f7i n GLN 132 Cb 0.58 1.66 0.03 0.00 -0.86 0.00 0.00 30.24 31.65 3f7i n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3f7i n SER 133 N -2.14 -1.58 -4.74 2.61 7.64 -1.26 -4.91 113.62 109.24 3f7i n SER 133 Ca 0.04 -0.80 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 3f7i n SER 133 Cb 0.36 -4.10 -0.02 0.00 -1.01 0.00 0.00 64.21 59.44 3f7i n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3f7i s TRP 134 N -3.62 3.06 0.12 1.43 0.52 -1.26 -5.02 118.94 114.17 3f7i s TRP 134 Ca 0.07 1.00 0.06 0.00 0.02 0.00 0.00 56.10 57.25 3f7i s TRP 134 Cb -0.03 -3.80 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 3f7i s TRP 134 CO 0.81 -2.65 -0.05 0.15 0.02 0.00 0.00 176.95 175.23 3f7i s LYS 135 N -0.09 2.31 0.06 4.98 -0.14 -1.26 -4.28 119.74 121.33 3f7i s LYS 135 Ca 0.61 -0.99 -0.37 0.00 -1.36 0.00 0.00 55.97 53.86 3f7i s LYS 135 Cb -0.41 -2.39 -0.17 0.00 -1.68 0.00 0.00 37.83 33.18 3f7i s LYS 135 CO 0.41 0.51 1.36 -2.13 -0.76 0.00 0.00 175.35 174.73 3f7i n ARG 136 N 0.48 1.14 0.00 1.68 0.63 -1.26 -1.07 116.66 118.26 3f7i n ARG 136 Ca -0.12 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 3f7i n ARG 136 Cb 0.53 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.38 3f7i n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f7i n GLY 137 N 2.61 1.44 3.75 5.14 0.00 -1.26 -5.04 105.19 111.83 3f7i n GLY 137 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3f7i n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f7i s ASP 138 N -2.51 6.37 -0.33 1.61 1.01 -0.23 -4.99 116.67 117.60 3f7i s ASP 138 Ca 0.00 2.94 -0.09 0.00 0.71 0.00 0.00 52.55 56.11 3f7i s ASP 138 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 3f7i s ASP 138 CO 0.00 -0.92 0.15 -0.62 0.21 0.00 0.00 175.17 173.99 3f7i s ASP 139 N 0.57 5.52 0.27 0.27 2.15 -1.26 -4.99 116.67 119.21 3f7i s ASP 139 Ca 0.64 -0.74 -0.00 0.00 0.43 0.00 0.00 52.55 52.89 3f7i s ASP 139 Cb -0.48 -1.98 0.62 0.00 -0.30 0.00 0.00 42.92 40.78 3f7i s ASP 139 CO 0.46 -0.26 1.67 -0.65 -0.17 0.00 0.00 175.17 176.22 3f7i h PRO 140 N 8.35 0.26 -0.58 4.34 0.11 -1.94 -0.54 132.00 142.00 3f7i h PRO 140 Ca -0.29 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3f7i h PRO 140 Cb 1.13 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3f7i h PRO 140 CO 0.63 0.17 0.17 -1.49 -0.21 0.00 0.00 178.00 177.27 3f7i h TRP 141 N 0.27 0.95 -0.37 0.65 -0.00 -1.90 0.01 115.95 115.55 3f7i h TRP 141 Ca 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 59.28 3f7i h TRP 141 Cb 0.94 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.82 3f7i h TRP 141 CO -0.24 0.80 0.18 1.15 -0.00 0.00 0.00 178.44 180.33 3f7i h THR 142 N 0.83 1.16 -0.51 1.49 2.02 -1.66 -1.73 112.91 114.51 3f7i h THR 142 Ca 0.19 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 3f7i h THR 142 Cb 0.31 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3f7i h THR 142 CO -0.00 0.17 -0.03 -0.33 0.37 0.00 0.00 175.52 175.70 3f7i h GLU 143 N 0.46 0.87 -0.50 6.66 4.39 -0.96 0.14 114.58 125.65 3f7i h GLU 143 Ca 0.13 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3f7i h GLU 143 Cb 0.10 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3f7i h GLU 143 CO -0.02 0.88 0.19 1.25 -1.16 0.00 0.00 179.01 180.16 3f7i h HIS 144 N 0.80 0.34 -0.25 4.33 2.76 -0.69 -1.71 115.15 120.74 3f7i h HIS 144 Ca 0.15 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.18 3f7i h HIS 144 Cb 0.52 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.40 3f7i h HIS 144 CO 0.03 0.12 -0.47 0.00 -1.30 0.00 0.00 177.93 176.32 3f7i h ALA 145 N 1.32 0.39 -0.34 5.26 0.00 -0.88 0.07 119.26 125.08 3f7i h ALA 145 Ca 0.24 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.73 3f7i h ALA 145 Cb 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3f7i h ALA 145 CO -0.23 0.54 -0.07 0.87 0.00 0.00 0.00 179.25 180.37 3f7i h LYS 146 N 0.49 0.02 0.00 0.00 1.57 -0.45 -3.19 116.57 115.00 3f7i h LYS 146 Ca 0.01 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 3f7i h LYS 146 Cb 1.07 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 3f7i h LYS 146 CO 0.10 0.01 -2.22 0.91 -0.57 0.00 0.00 179.45 177.69 3f7i n TRP 147 N -5.26 0.21 -2.97 -1.35 7.02 -0.67 -4.63 117.44 109.80 3f7i n TRP 147 Ca 0.01 0.07 -0.21 0.00 -1.02 0.00 0.00 57.50 56.35 3f7i n TRP 147 Cb 0.19 -1.01 -0.03 0.00 -2.42 0.00 0.00 31.31 28.05 3f7i n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3f7i n PHE 148 N -2.78 2.11 0.26 -5.99 3.72 0.01 -4.93 117.46 109.86 3f7i n PHE 148 Ca -0.28 -3.72 0.13 0.00 -0.05 0.00 0.00 57.45 53.53 3f7i n PHE 148 Cb 1.10 -0.41 0.61 0.00 -0.94 0.00 0.00 39.48 39.84 3f7i n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f7i h PRO 149 N 2.95 0.00 -0.01 -1.08 0.13 -1.69 -1.68 132.00 130.63 3f7i h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3f7i h PRO 149 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3f7i h PRO 149 CO 0.66 0.00 -0.08 0.41 -0.23 0.00 0.00 178.00 178.76 3f7i n GLY 150 N -0.75 -0.72 3.70 1.56 0.00 -1.26 -4.89 105.19 102.82 3f7i n GLY 150 Ca -0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3f7i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7i h GLN 152 N 7.89 0.23 -0.24 0.00 4.20 -1.91 -1.20 115.11 124.08 3f7i h GLN 152 Ca -0.42 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 3f7i h GLN 152 Cb 1.20 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3f7i h GLN 152 CO 0.92 0.79 0.11 0.35 -0.67 0.00 0.00 178.83 180.33 3f7i h PHE 153 N 0.17 0.35 -0.29 2.96 3.57 -1.97 -0.94 116.94 120.79 3f7i h PHE 153 Ca -0.01 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3f7i h PHE 153 Cb 1.15 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3f7i h PHE 153 CO 0.02 0.34 0.01 1.25 -2.23 0.00 0.00 178.31 177.70 3f7i h LEU 154 N 0.25 -0.10 -0.30 0.59 5.85 -1.90 -0.84 115.31 118.86 3f7i h LEU 154 Ca 0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3f7i h LEU 154 Cb 0.13 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3f7i h LEU 154 CO -0.01 -0.02 0.18 0.25 -0.34 0.00 0.00 178.44 178.50 3f7i h LEU 155 N 0.09 0.30 -1.10 2.25 5.85 -1.13 0.12 115.31 121.70 3f7i h LEU 155 Ca 0.14 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3f7i h LEU 155 Cb 0.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3f7i h LEU 155 CO -0.23 0.22 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.81 3f7i h ARG 156 N 0.37 0.41 0.15 1.25 9.65 -1.04 0.84 114.38 126.00 3f7i h ARG 156 Ca 0.11 -0.13 -0.30 0.00 -1.10 0.00 0.00 59.98 58.56 3f7i h ARG 156 Cb -0.02 -0.04 0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3f7i h ARG 156 CO -0.04 0.59 -1.29 0.77 2.80 0.00 0.00 179.97 182.80 3f7i h SER 157 N 0.37 0.80 0.00 -3.80 0.02 -0.67 -3.41 113.55 106.87 3f7i h SER 157 Ca 0.06 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.23 3f7i h SER 157 Cb 0.55 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3f7i h SER 157 CO 0.04 1.59 -1.11 0.29 -1.14 0.00 0.00 176.83 176.50 3f7i n LYS 158 N -3.74 1.10 0.00 3.45 4.76 0.37 -5.09 118.16 119.02 3f7i n LYS 158 Ca -0.13 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 3f7i n LYS 158 Cb 1.01 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 3f7i n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f7i n GLY 159 N 2.52 -0.87 0.24 0.72 0.00 0.28 -4.42 105.19 103.66 3f7i n GLY 159 Ca -0.01 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3f7i n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3f7i h GLN 160 N 0.00 0.66 -0.65 1.61 5.75 -1.93 -3.18 115.11 117.37 3f7i h GLN 160 Ca 0.00 -0.34 0.03 0.00 -0.15 0.00 0.00 58.65 58.19 3f7i h GLN 160 Cb 0.00 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3f7i h GLN 160 CO 0.00 0.95 0.39 1.49 -2.65 0.00 0.00 178.83 179.01 3f7i h GLU 161 N 0.54 0.73 -0.42 1.69 4.81 -1.98 0.10 114.58 120.04 3f7i h GLU 161 Ca 0.04 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3f7i h GLU 161 Cb 0.93 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3f7i h GLU 161 CO 0.08 0.49 0.23 -0.92 -0.73 0.00 0.00 179.01 178.16 3f7i h TYR 162 N 0.76 0.42 0.08 0.92 3.20 -1.76 -0.12 116.97 120.47 3f7i h TYR 162 Ca 0.27 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 3f7i h TYR 162 Cb 0.06 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3f7i h TYR 162 CO -0.06 0.23 -0.04 0.82 -1.64 0.00 0.00 178.16 177.47 3f7i h ILE 163 N 0.46 1.04 -0.51 1.81 2.04 -1.42 -2.74 117.51 118.20 3f7i h ILE 163 Ca 0.18 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3f7i h ILE 163 Cb 0.06 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3f7i h ILE 163 CO -0.11 0.11 0.27 0.78 0.00 0.00 0.00 178.15 179.20 3f7i h ASN 164 N -0.30 0.42 -0.76 1.72 4.21 -0.81 -2.53 115.58 117.52 3f7i h ASN 164 Ca -0.01 0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.58 3f7i h ASN 164 Cb 0.26 -0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 37.33 3f7i h ASN 164 CO 0.02 0.29 0.45 -1.13 -1.29 0.00 0.00 177.43 175.76 3f7i h ASN 165 N 0.54 0.67 -0.80 5.81 -1.24 -0.98 0.20 115.58 119.79 3f7i h ASN 165 Ca 0.22 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 3f7i h ASN 165 Cb 0.09 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 3f7i h ASN 165 CO -0.13 0.42 0.44 0.40 -1.29 0.00 0.00 177.43 177.27 3f7i h ILE 166 N 0.80 1.24 0.00 2.57 2.04 -1.16 0.15 117.51 123.15 3f7i h ILE 166 Ca 0.34 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 3f7i h ILE 166 Cb 0.22 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3f7i h ILE 166 CO -0.19 0.26 -0.38 0.45 0.00 0.00 0.00 178.15 178.29 3f7i h HIS 167 N 1.11 0.00 0.21 1.37 3.86 -0.94 -2.82 115.15 117.94 3f7i h HIS 167 Ca 0.28 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.16 3f7i h HIS 167 Cb 0.03 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.52 3f7i h HIS 167 CO 0.00 0.38 -1.51 -0.07 0.86 0.00 0.00 177.93 177.59 3f7i h LEU 168 N 0.00 0.69 -0.66 2.43 3.38 -0.16 -3.33 115.31 117.66 3f7i h LEU 168 Ca -0.00 -0.81 -0.14 0.00 0.09 0.00 0.00 57.88 57.01 3f7i h LEU 168 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3f7i h LEU 168 CO 0.05 1.65 -0.51 0.71 0.09 0.00 0.00 178.44 180.43 3f7i h THR 169 N 0.12 1.33 -0.01 0.22 1.35 -0.75 -3.51 112.91 111.67 3f7i h THR 169 Ca -0.26 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3f7i h THR 169 Cb 2.11 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 3f7i h THR 169 CO 0.23 0.53 0.00 1.41 -0.25 0.00 0.00 175.52 177.45