#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i3i s PRO 79 N 0.00 4.21 0.12 1.61 0.04 -1.26 -4.88 135.00 134.83 2i3i s PRO 79 Ca 0.00 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 2i3i s PRO 79 Cb 0.00 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 2i3i s PRO 79 CO 0.00 -0.57 1.57 0.00 0.04 0.00 0.00 177.00 178.04 2i3i h ALA 80 N 6.08 0.49 -2.56 8.56 0.00 -0.98 -3.36 119.26 127.49 2i3i h ALA 80 Ca -0.44 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 53.63 2i3i h ALA 80 Cb 1.21 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.47 2i3i h ALA 80 CO 0.87 0.24 -0.81 1.19 0.00 0.00 0.00 179.25 180.74 2i3i n PHE 81 N -4.51 1.09 -0.34 0.00 3.01 0.74 -5.00 117.46 112.46 2i3i n PHE 81 Ca -0.01 -3.78 0.07 0.00 1.01 0.00 0.00 57.45 54.74 2i3i n PHE 81 Cb 0.26 -0.21 0.24 0.00 -0.01 0.00 0.00 39.48 39.76 2i3i n PHE 81 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2i3i h PRO 82 N 5.20 0.87 -0.02 -1.08 0.11 -1.77 -0.97 132.00 134.34 2i3i h PRO 82 Ca 0.20 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.26 2i3i h PRO 82 Cb 0.82 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2i3i h PRO 82 CO 0.55 0.57 0.02 0.78 -0.21 0.00 0.00 178.00 179.72 2i3i h GLY 83 N 0.89 0.00 -1.56 -0.55 0.00 -1.94 -0.88 103.07 99.03 2i3i h GLY 83 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2i3i h GLY 83 CO -0.29 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.28 2i3i n MET 84 N -3.89 2.06 0.30 4.80 2.81 -0.37 -3.68 117.12 119.15 2i3i n MET 84 Ca -0.02 -1.44 0.18 0.00 -1.81 0.00 0.00 57.70 54.60 2i3i n MET 84 Cb 0.11 -1.38 0.94 0.00 -0.71 0.00 0.00 33.22 32.18 2i3i n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2i3i h GLY 85 N 5.06 0.00 -5.06 3.03 0.00 -1.21 -3.42 103.07 101.47 2i3i h GLY 85 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2i3i h GLY 85 CO 0.04 0.00 0.83 -0.45 0.00 0.00 0.00 176.54 176.95 2i3i s SER 86 N -5.70 7.03 0.24 0.19 0.15 -1.24 -4.94 113.70 109.43 2i3i s SER 86 Ca -0.03 1.58 -0.02 0.00 0.70 0.00 0.00 55.95 58.18 2i3i s SER 86 Cb 0.13 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.17 2i3i s SER 86 CO 0.51 -0.69 1.67 -0.08 1.20 0.00 0.00 173.24 175.84 2i3i h GLU 87 N 7.80 0.68 -0.42 5.44 4.81 -1.91 -1.28 114.58 129.70 2i3i h GLU 87 Ca -0.25 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2i3i h GLU 87 Cb 1.10 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 2i3i h GLU 87 CO 0.96 0.84 -0.04 0.93 -0.73 0.00 0.00 179.01 180.97 2i3i h GLU 88 N 0.60 0.07 -0.27 1.92 5.08 -1.95 0.39 114.58 120.42 2i3i h GLU 88 Ca 0.09 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2i3i h GLU 88 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2i3i h GLU 88 CO 0.05 0.04 -0.25 1.25 -1.00 0.00 0.00 179.01 179.10 2i3i h LEU 89 N 0.07 0.52 -0.63 1.33 5.85 -1.80 -0.89 115.31 119.75 2i3i h LEU 89 Ca 0.21 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2i3i h LEU 89 Cb 0.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2i3i h LEU 89 CO -0.38 0.76 0.09 0.03 -0.34 0.00 0.00 178.44 178.60 2i3i h ARG 90 N 0.45 1.05 -0.58 1.25 3.08 -0.75 -2.39 114.38 116.50 2i3i h ARG 90 Ca 0.07 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 2i3i h ARG 90 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2i3i h ARG 90 CO 0.05 0.98 0.02 1.25 -1.07 0.00 0.00 179.97 181.20 2i3i h LEU 91 N 0.96 0.98 -1.37 3.04 5.85 -0.51 -2.43 115.31 121.83 2i3i h LEU 91 Ca 0.19 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.69 2i3i h LEU 91 Cb 0.45 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2i3i h LEU 91 CO 0.02 1.04 0.50 0.00 -0.34 0.00 0.00 178.44 179.65 2i3i h ALA 92 N 0.98 1.74 -0.04 1.25 0.00 -0.97 -1.86 119.26 120.36 2i3i h ALA 92 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2i3i h ALA 92 Cb 0.52 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2i3i h ALA 92 CO 0.03 0.12 0.15 0.66 0.00 0.00 0.00 179.25 180.20 2i3i h SER 93 N 0.73 0.00 -0.26 0.00 4.64 -0.92 -2.23 113.55 115.51 2i3i h SER 93 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2i3i h SER 93 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2i3i h SER 93 CO -0.12 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.33 2i3i n PHE 94 N -3.22 0.35 -0.24 4.77 3.72 -0.70 -4.30 117.46 117.84 2i3i n PHE 94 Ca -0.02 -0.18 0.14 0.00 -0.05 0.00 0.00 57.45 57.35 2i3i n PHE 94 Cb 0.22 -0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.19 2i3i n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2i3i h TYR 95 N 1.53 0.70 -0.49 1.38 -0.00 -1.57 -1.92 116.97 116.60 2i3i h TYR 95 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 58.73 58.52 2i3i h TYR 95 Cb 0.35 -0.22 -0.14 0.00 0.00 0.00 0.00 36.73 36.73 2i3i h TYR 95 CO 0.18 0.24 0.10 -0.40 -0.00 0.00 0.00 178.16 178.27 2i3i n ASP 96 N -4.54 3.03 -4.73 0.10 5.75 -1.26 -5.03 116.55 109.86 2i3i n ASP 96 Ca 0.17 -3.62 -0.42 0.00 -0.01 0.00 0.00 54.79 50.91 2i3i n ASP 96 Cb 0.53 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 2i3i n ASP 96 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 2i3i n TRP 97 N -1.00 2.73 -1.89 2.11 -0.00 -0.72 -4.90 117.44 113.76 2i3i n TRP 97 Ca 0.38 0.28 -0.40 0.00 -0.00 0.00 0.00 57.50 57.76 2i3i n TRP 97 Cb 1.17 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 29.91 2i3i n TRP 97 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 2i3i s PRO 98 N -0.46 3.93 0.22 5.87 0.02 -1.26 -4.85 135.00 138.47 2i3i s PRO 98 Ca 0.65 2.37 0.22 0.00 0.02 0.00 0.00 61.00 64.26 2i3i s PRO 98 Cb -0.52 -2.80 0.93 0.00 0.02 0.00 0.00 34.50 32.13 2i3i s PRO 98 CO 0.48 -0.60 1.66 1.28 -0.33 0.00 0.00 177.00 179.49 2i3i n LEU 99 N 0.14 0.56 0.03 -5.54 4.77 -1.26 -1.49 117.00 114.21 2i3i n LEU 99 Ca 0.03 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 2i3i n LEU 99 Cb 0.42 -0.59 0.36 0.00 -2.33 0.00 0.00 43.42 41.28 2i3i n LEU 99 CO 0.59 -0.56 0.64 0.35 -1.33 0.00 0.00 177.39 177.08 2i3i n THR 100 N -2.13 0.18 -1.09 -5.08 -2.24 -1.26 -4.98 114.28 97.69 2i3i n THR 100 Ca 0.02 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 2i3i n THR 100 Cb 0.20 -0.18 0.12 0.00 -2.10 0.00 0.00 70.33 68.37 2i3i n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i3i s ALA 101 N -3.06 1.91 -0.37 6.98 0.00 -0.56 -4.98 121.76 121.69 2i3i s ALA 101 Ca 0.11 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2i3i s ALA 101 Cb 0.16 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.93 2i3i s ALA 101 CO 0.64 -2.18 0.69 0.39 0.00 0.00 0.00 175.76 175.30 2i3i n GLU 102 N -3.60 0.11 -4.35 0.00 1.02 -1.26 -4.99 120.64 107.57 2i3i n GLU 102 Ca 0.11 -0.87 -0.20 0.00 -0.02 0.00 0.00 57.16 56.18 2i3i n GLU 102 Cb 0.52 -1.06 -0.15 0.00 -0.02 0.00 0.00 31.44 30.72 2i3i n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i3i s VAL 103 N -0.40 0.72 0.28 2.62 1.01 -1.26 -4.13 120.40 119.23 2i3i s VAL 103 Ca 0.04 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 2i3i s VAL 103 Cb 0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 2i3i s VAL 103 CO 0.04 0.23 1.02 -2.16 0.00 0.00 0.00 175.10 174.23 2i3i s PRO 104 N 0.21 4.69 0.30 2.72 0.04 -1.26 -4.96 135.00 136.74 2i3i s PRO 104 Ca -0.03 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2i3i s PRO 104 Cb -0.08 -3.15 0.78 0.00 0.04 0.00 0.00 34.50 32.08 2i3i s PRO 104 CO 0.00 0.32 1.63 -1.35 0.04 0.00 0.00 177.00 177.65 2i3i h PRO 105 N 3.81 0.18 -0.52 0.56 0.11 -1.98 -2.50 132.00 131.66 2i3i h PRO 105 Ca -0.46 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 2i3i h PRO 105 Cb 1.21 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2i3i h PRO 105 CO 0.67 0.12 0.17 1.49 -0.21 0.00 0.00 178.00 180.23 2i3i h GLU 106 N 0.18 0.32 -0.27 1.05 4.81 -1.95 0.11 114.58 118.82 2i3i h GLU 106 Ca 0.59 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2i3i h GLU 106 Cb 1.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2i3i h GLU 106 CO -0.69 0.21 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.34 2i3i h LEU 107 N 0.33 0.68 0.11 1.64 3.38 -1.86 -2.67 115.31 116.92 2i3i h LEU 107 Ca 0.26 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2i3i h LEU 107 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2i3i h LEU 107 CO -0.28 0.99 -0.05 -0.07 0.09 0.00 0.00 178.44 179.12 2i3i h LEU 108 N 0.53 -0.13 -1.00 1.67 3.38 -0.89 -2.92 115.31 115.95 2i3i h LEU 108 Ca 0.05 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 57.81 2i3i h LEU 108 Cb 0.91 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 2i3i h LEU 108 CO 0.08 0.27 0.63 0.00 0.09 0.00 0.00 178.44 179.51 2i3i h ALA 109 N 0.27 1.51 -0.03 1.53 0.00 -0.84 -1.29 119.26 120.41 2i3i h ALA 109 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2i3i h ALA 109 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2i3i h ALA 109 CO 0.02 0.22 -0.08 0.00 0.00 0.00 0.00 179.25 179.42 2i3i h ALA 110 N 1.54 1.82 -0.50 0.00 0.00 -1.40 -2.58 119.26 118.14 2i3i h ALA 110 Ca 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2i3i h ALA 110 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2i3i h ALA 110 CO -0.27 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.12 2i3i n ALA 111 N -2.52 3.63 -0.18 0.00 0.00 -0.52 -4.89 120.51 116.03 2i3i n ALA 111 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.81 2i3i n ALA 111 Cb 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2i3i n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i3i n GLY 112 N 0.58 0.60 3.87 0.00 0.00 -0.97 -4.89 105.19 104.39 2i3i n GLY 112 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2i3i n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i3i s PHE 113 N -2.38 3.61 0.18 1.61 0.08 -0.98 -1.39 117.98 118.69 2i3i s PHE 113 Ca 0.00 0.70 0.04 0.00 0.12 0.00 0.00 56.93 57.79 2i3i s PHE 113 Cb 0.00 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2i3i s PHE 113 CO 0.00 0.60 -0.06 -0.59 -0.10 0.00 0.00 175.22 175.06 2i3i s PHE 114 N -1.27 1.36 -0.07 0.36 -0.12 0.32 -3.39 117.98 115.17 2i3i s PHE 114 Ca 0.28 -0.82 -0.16 0.00 -0.05 0.00 0.00 56.93 56.17 2i3i s PHE 114 Cb -0.14 -0.73 -0.05 0.00 -0.63 0.00 0.00 43.02 41.47 2i3i s PHE 114 CO 0.15 0.03 0.42 -1.58 -0.05 0.00 0.00 175.22 174.19 2i3i s HIS 115 N -3.37 3.61 -1.30 3.49 5.65 -1.26 -0.56 115.29 121.55 2i3i s HIS 115 Ca 0.21 0.90 0.28 0.00 0.25 0.00 0.00 55.06 56.70 2i3i s HIS 115 Cb 0.04 -2.39 0.99 0.00 -1.18 0.00 0.00 32.58 30.04 2i3i s HIS 115 CO 0.03 0.41 1.73 0.25 -0.65 0.00 0.00 174.74 176.52 2i3i n THR 116 N 2.74 0.00 -0.32 0.89 -2.24 -1.02 -4.84 114.28 109.49 2i3i n THR 116 Ca -0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2i3i n THR 116 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2i3i n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i3i n GLY 117 N 1.40 0.78 2.91 3.38 0.00 -1.26 -5.06 105.19 107.35 2i3i n GLY 117 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2i3i n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i3i s HIS 118 N -2.20 1.47 0.00 1.61 3.76 -1.26 -5.08 115.29 113.59 2i3i s HIS 118 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2i3i s HIS 118 Cb 0.00 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.48 2i3i s HIS 118 CO 0.00 -0.49 0.00 1.04 -0.85 0.00 0.00 174.74 174.44 2i3i n GLN 119 N 4.85 0.00 -1.21 1.40 3.00 -1.26 -2.07 117.38 122.08 2i3i n GLN 119 Ca -0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.62 2i3i n GLN 119 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 30.24 30.92 2i3i n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2i3i n ASP 120 N -2.80 3.75 -4.71 1.08 5.75 -1.26 -4.49 116.55 113.87 2i3i n ASP 120 Ca 0.00 -3.58 -0.42 0.00 -0.01 0.00 0.00 54.79 50.78 2i3i n ASP 120 Cb 0.00 -0.83 -0.03 0.00 -1.03 0.00 0.00 41.12 39.23 2i3i n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2i3i s LYS 121 N -3.25 4.32 0.16 0.11 1.02 -0.88 -4.41 119.74 116.81 2i3i s LYS 121 Ca 0.56 2.02 0.07 0.00 0.02 0.00 0.00 55.97 58.65 2i3i s LYS 121 Cb 0.47 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2i3i s LYS 121 CO 0.11 -0.47 -0.16 0.14 -0.92 0.00 0.00 175.35 174.05 2i3i s VAL 122 N 1.51 1.63 0.08 3.17 -7.23 -0.07 -2.43 120.40 117.05 2i3i s VAL 122 Ca 0.64 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2i3i s VAL 122 Cb -0.35 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2i3i s VAL 122 CO 0.29 -0.42 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.34 2i3i s ARG 123 N -2.98 1.09 -0.01 4.82 0.52 0.28 -1.91 118.95 120.75 2i3i s ARG 123 Ca 0.15 -1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 2i3i s ARG 123 Cb -0.04 -1.25 -0.05 0.00 0.52 0.00 0.00 34.95 34.14 2i3i s ARG 123 CO 0.05 0.30 1.26 0.00 0.02 0.00 0.00 175.30 176.93 2i3i h PHE 125 N 7.38 0.00 0.00 0.00 -0.00 -1.54 -1.79 116.94 120.99 2i3i h PHE 125 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.60 2i3i h PHE 125 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 2i3i h PHE 125 CO 0.72 0.00 -0.55 0.34 -0.00 0.00 0.00 178.31 178.82 2i3i n PHE 126 N -4.32 0.83 1.43 6.09 -0.00 -1.26 -0.18 117.46 120.05 2i3i n PHE 126 Ca 0.07 0.36 0.14 0.00 -0.00 0.00 0.00 57.45 58.01 2i3i n PHE 126 Cb 0.49 -0.74 0.48 0.00 -0.00 0.00 0.00 39.48 39.71 2i3i n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i3i n TYR 128 N 0.17 0.00 -1.68 0.00 4.19 -0.67 -4.95 117.16 114.22 2i3i n TYR 128 Ca 0.18 0.00 -0.46 0.00 3.31 0.00 0.00 57.90 60.93 2i3i n TYR 128 Cb 0.37 -0.53 -0.04 0.00 0.49 0.00 0.00 39.34 39.63 2i3i n TYR 128 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2i3i n GLY 129 N -2.00 1.43 3.62 2.98 0.00 -1.26 -4.45 105.19 105.50 2i3i n GLY 129 Ca 0.00 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.43 2i3i n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i3i s GLY 130 N 2.75 1.86 0.01 -0.02 0.00 -1.26 -1.51 107.32 109.15 2i3i s GLY 130 Ca 0.85 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2i3i s GLY 130 CO 0.43 -0.09 -0.05 1.08 0.00 0.00 0.00 173.10 174.47 2i3i s LEU 131 N 0.11 2.07 0.00 0.66 1.43 -0.80 -5.00 118.68 117.15 2i3i s LEU 131 Ca 0.03 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2i3i s LEU 131 Cb -0.13 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 2i3i s LEU 131 CO 0.01 -0.01 0.12 0.00 0.23 0.00 0.00 176.35 176.70 2i3i n GLN 132 N 2.57 0.22 -3.70 1.70 10.64 -1.26 -0.89 117.38 126.65 2i3i n GLN 132 Ca -0.15 -1.46 -0.21 0.00 -1.83 0.00 0.00 57.00 53.35 2i3i n GLN 132 Cb 0.57 1.17 0.03 0.00 -0.86 0.00 0.00 30.24 31.16 2i3i n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2i3i n SER 133 N -2.39 -1.15 -4.76 2.61 7.64 -1.26 -4.92 113.62 109.39 2i3i n SER 133 Ca 0.03 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 2i3i n SER 133 Cb 0.26 -4.06 -0.02 0.00 -1.01 0.00 0.00 64.21 59.39 2i3i n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2i3i s TRP 134 N -3.67 2.98 0.14 1.43 0.52 -1.26 -5.02 118.94 114.06 2i3i s TRP 134 Ca 0.00 1.21 0.07 0.00 0.02 0.00 0.00 56.10 57.40 2i3i s TRP 134 Cb -0.00 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.50 2i3i s TRP 134 CO 0.81 -2.35 -0.06 0.15 0.02 0.00 0.00 176.95 175.52 2i3i s LYS 135 N -1.16 2.24 -0.05 4.98 -0.14 -1.26 -4.33 119.74 120.01 2i3i s LYS 135 Ca 0.54 -1.08 -0.38 0.00 -1.36 0.00 0.00 55.97 53.69 2i3i s LYS 135 Cb -0.41 -2.32 -0.16 0.00 -1.68 0.00 0.00 37.83 33.26 2i3i s LYS 135 CO 0.50 0.48 1.50 -2.13 -0.76 0.00 0.00 175.35 174.94 2i3i n ARG 136 N 0.32 1.16 -0.55 1.68 0.63 -1.26 -1.18 116.66 117.46 2i3i n ARG 136 Ca -0.12 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 2i3i n ARG 136 Cb 0.54 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.36 2i3i n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2i3i n GLY 137 N 3.18 0.77 3.74 5.14 0.00 -1.26 -5.03 105.19 111.72 2i3i n GLY 137 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2i3i n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i3i s ASP 138 N -2.92 6.71 -0.41 1.61 1.01 -0.33 -5.00 116.67 117.34 2i3i s ASP 138 Ca 0.00 2.58 -0.15 0.00 0.71 0.00 0.00 52.55 55.69 2i3i s ASP 138 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.33 2i3i s ASP 138 CO 0.00 -0.68 0.32 -0.62 0.21 0.00 0.00 175.17 174.40 2i3i s ASP 139 N 0.53 6.12 0.30 0.27 2.15 -1.26 -4.98 116.67 119.80 2i3i s ASP 139 Ca 0.61 -0.82 0.05 0.00 0.43 0.00 0.00 52.55 52.81 2i3i s ASP 139 Cb -0.41 -2.17 0.78 0.00 -0.30 0.00 0.00 42.92 40.82 2i3i s ASP 139 CO 0.39 -0.45 1.67 -0.65 -0.17 0.00 0.00 175.17 175.96 2i3i h PRO 140 N 8.63 0.31 -0.46 4.34 0.11 -1.95 -0.66 132.00 142.33 2i3i h PRO 140 Ca -0.27 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 2i3i h PRO 140 Cb 1.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2i3i h PRO 140 CO 0.73 0.20 -0.04 -1.49 -0.21 0.00 0.00 178.00 177.20 2i3i h TRP 141 N 0.32 0.83 -0.53 0.65 -0.00 -1.90 -1.30 115.95 114.03 2i3i h TRP 141 Ca 0.58 -0.13 -0.09 0.00 -0.00 0.00 0.00 58.89 59.25 2i3i h TRP 141 Cb 1.18 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 30.09 2i3i h TRP 141 CO -0.16 0.79 -0.03 1.15 -0.00 0.00 0.00 178.44 180.18 2i3i h THR 142 N 0.72 1.27 -0.10 1.49 2.02 -1.57 -2.41 112.91 114.31 2i3i h THR 142 Ca 0.13 -1.15 -0.21 0.00 0.77 0.00 0.00 66.41 65.95 2i3i h THR 142 Cb 0.50 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2i3i h THR 142 CO 0.03 0.41 -0.78 -0.33 0.37 0.00 0.00 175.52 175.22 2i3i h GLU 143 N 0.82 0.59 -0.50 6.66 4.39 -1.26 0.25 114.58 125.52 2i3i h GLU 143 Ca 0.14 -0.49 0.08 0.00 0.34 0.00 0.00 59.36 59.43 2i3i h GLU 143 Cb 0.58 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 2i3i h GLU 143 CO 0.03 1.12 0.11 1.25 -1.16 0.00 0.00 179.01 180.36 2i3i h HIS 144 N 0.40 0.18 -0.30 4.33 2.76 -1.19 -1.14 115.15 120.17 2i3i h HIS 144 Ca -0.05 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 2i3i h HIS 144 Cb 1.38 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.33 2i3i h HIS 144 CO 0.07 0.00 -0.33 0.00 -1.30 0.00 0.00 177.93 176.37 2i3i h ALA 145 N 1.39 0.45 -0.18 5.26 0.00 -1.17 0.53 119.26 125.54 2i3i h ALA 145 Ca 0.25 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2i3i h ALA 145 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2i3i h ALA 145 CO -0.32 0.50 -0.05 0.87 0.00 0.00 0.00 179.25 180.25 2i3i h LYS 146 N 0.52 -0.01 0.01 0.00 1.57 -0.78 -3.15 116.57 114.72 2i3i h LYS 146 Ca 0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 2i3i h LYS 146 Cb 0.91 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 2i3i h LYS 146 CO 0.08 -0.01 -1.90 0.91 -0.57 0.00 0.00 179.45 177.96 2i3i n TRP 147 N -5.20 0.77 -3.11 -1.35 7.02 -0.45 -4.60 117.44 110.53 2i3i n TRP 147 Ca -0.03 0.27 -0.21 0.00 -1.02 0.00 0.00 57.50 56.51 2i3i n TRP 147 Cb 0.12 -1.14 -0.03 0.00 -2.42 0.00 0.00 31.31 27.84 2i3i n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2i3i n PHE 148 N -3.01 1.52 0.31 -5.99 3.72 0.17 -4.94 117.46 109.24 2i3i n PHE 148 Ca -0.22 -3.88 0.19 0.00 -0.05 0.00 0.00 57.45 53.49 2i3i n PHE 148 Cb 1.08 -0.44 0.92 0.00 -0.94 0.00 0.00 39.48 40.09 2i3i n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2i3i h PRO 149 N 3.00 0.00 -0.00 -1.08 0.13 -1.69 -1.87 132.00 130.49 2i3i h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2i3i h PRO 149 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2i3i h PRO 149 CO 0.61 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.78 2i3i n GLY 150 N -0.60 -0.89 3.71 1.56 0.00 -1.26 -4.87 105.19 102.83 2i3i n GLY 150 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2i3i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i3i h GLN 152 N 7.11 0.00 -0.11 0.00 4.20 -1.91 -0.59 115.11 123.81 2i3i h GLN 152 Ca -0.41 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.16 2i3i h GLN 152 Cb 1.20 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.99 2i3i h GLN 152 CO 0.88 0.58 -0.45 0.35 -0.67 0.00 0.00 178.83 179.52 2i3i h PHE 153 N 0.00 0.66 -0.20 2.96 3.57 -1.97 -1.46 116.94 120.50 2i3i h PHE 153 Ca -0.01 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.27 2i3i h PHE 153 Cb 1.10 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2i3i h PHE 153 CO 0.00 1.04 -0.21 1.25 -2.23 0.00 0.00 178.31 178.17 2i3i h LEU 154 N 0.08 -0.66 0.22 0.59 5.85 -1.90 -0.58 115.31 118.91 2i3i h LEU 154 Ca -0.03 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2i3i h LEU 154 Cb 1.08 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 2i3i h LEU 154 CO 0.09 -0.25 -0.27 0.25 -0.34 0.00 0.00 178.44 177.93 2i3i h LEU 155 N -0.23 -0.73 -1.33 2.25 5.85 -1.05 0.22 115.31 120.30 2i3i h LEU 155 Ca 0.12 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2i3i h LEU 155 Cb 0.41 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2i3i h LEU 155 CO -0.33 -0.37 0.47 -0.09 -0.34 0.00 0.00 178.44 177.77 2i3i h ARG 156 N -0.53 0.87 0.19 1.25 9.65 -1.20 0.47 114.38 125.08 2i3i h ARG 156 Ca 0.00 -0.05 -0.32 0.00 -1.10 0.00 0.00 59.98 58.51 2i3i h ARG 156 Cb 0.51 -0.20 0.03 0.00 -1.39 0.00 0.00 29.97 28.93 2i3i h ARG 156 CO -0.09 0.58 -1.37 0.77 2.80 0.00 0.00 179.97 182.66 2i3i h SER 157 N 0.90 0.87 0.00 -3.80 0.02 -0.53 -3.40 113.55 107.60 2i3i h SER 157 Ca 0.27 -0.86 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 2i3i h SER 157 Cb -0.01 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 2i3i h SER 157 CO -0.07 1.67 -1.41 0.29 -1.14 0.00 0.00 176.83 176.16 2i3i n LYS 158 N -3.75 0.37 0.00 3.45 4.76 0.71 -5.09 118.16 118.61 2i3i n LYS 158 Ca -0.15 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 2i3i n LYS 158 Cb 1.05 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 2i3i n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i3i n GLY 159 N 2.02 -1.90 0.16 0.72 0.00 0.16 -4.40 105.19 101.95 2i3i n GLY 159 Ca -0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 2i3i n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2i3i h GLN 160 N 0.00 0.12 -0.75 1.61 5.75 -1.94 -3.04 115.11 116.86 2i3i h GLN 160 Ca 0.00 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2i3i h GLN 160 Cb 0.00 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2i3i h GLN 160 CO 0.00 0.64 0.31 1.49 -2.65 0.00 0.00 178.83 178.62 2i3i h GLU 161 N 0.09 1.11 -0.24 1.69 4.81 -1.98 -1.15 114.58 118.91 2i3i h GLU 161 Ca -0.00 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2i3i h GLU 161 Cb 1.01 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2i3i h GLU 161 CO 0.08 0.90 0.15 -0.92 -0.73 0.00 0.00 179.01 178.49 2i3i h TYR 162 N 1.08 0.31 -0.01 0.92 3.20 -1.74 -1.12 116.97 119.61 2i3i h TYR 162 Ca 0.25 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 2i3i h TYR 162 Cb 0.20 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2i3i h TYR 162 CO 0.02 0.23 0.01 0.82 -1.64 0.00 0.00 178.16 177.59 2i3i h ILE 163 N 0.30 1.14 -0.74 1.81 2.04 -1.47 -2.77 117.51 117.82 2i3i h ILE 163 Ca 0.09 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.59 2i3i h ILE 163 Cb 0.01 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 2i3i h ILE 163 CO -0.02 0.11 0.44 0.78 0.00 0.00 0.00 178.15 179.46 2i3i h ASN 164 N -0.15 0.68 -0.74 1.72 4.21 -1.08 -2.60 115.58 117.62 2i3i h ASN 164 Ca 0.00 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 2i3i h ASN 164 Cb 0.17 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 2i3i h ASN 164 CO -0.00 0.44 0.31 -1.13 -1.29 0.00 0.00 177.43 175.75 2i3i h ASN 165 N 0.81 1.02 -0.68 5.81 -1.24 -1.14 0.16 115.58 120.32 2i3i h ASN 165 Ca 0.33 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.18 2i3i h ASN 165 Cb 0.17 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 2i3i h ASN 165 CO -0.17 0.90 0.45 0.40 -1.29 0.00 0.00 177.43 177.72 2i3i h ILE 166 N 1.07 1.17 -0.04 2.57 2.04 -1.18 0.24 117.51 123.37 2i3i h ILE 166 Ca 0.25 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 2i3i h ILE 166 Cb 0.19 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2i3i h ILE 166 CO -0.02 0.17 -0.64 0.45 0.00 0.00 0.00 178.15 178.11 2i3i h HIS 167 N 0.92 0.20 -0.11 1.37 3.86 -1.04 -2.52 115.15 117.83 2i3i h HIS 167 Ca 0.25 -0.08 -0.23 0.00 -1.16 0.00 0.00 60.37 59.14 2i3i h HIS 167 Cb -0.10 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 28.35 2i3i h HIS 167 CO -0.03 0.75 -0.85 -0.07 0.86 0.00 0.00 177.93 178.59 2i3i h LEU 168 N 0.11 0.93 -0.04 2.43 3.38 -0.38 -3.00 115.31 118.75 2i3i h LEU 168 Ca -0.01 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 2i3i h LEU 168 Cb 1.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2i3i h LEU 168 CO 0.09 1.45 -0.02 0.71 0.09 0.00 0.00 178.44 180.77 2i3i h THR 169 N 0.49 1.32 0.00 0.22 1.35 -0.93 -2.57 112.91 112.79 2i3i h THR 169 Ca -0.08 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2i3i h THR 169 Cb 1.49 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 2i3i h THR 169 CO 0.17 0.27 0.00 0.45 -0.25 0.00 0.00 175.52 176.16 2i3i h HIS 170 N -0.29 0.00 -0.01 4.73 3.86 -1.56 -2.53 115.15 119.34 2i3i h HIS 170 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2i3i h HIS 170 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2i3i h HIS 170 CO 0.06 0.00 -0.43 -1.13 0.86 0.00 0.00 177.93 177.29 2i3i n SER 171 N -2.85 1.87 -0.30 2.45 3.41 -0.99 -5.10 113.62 112.11 2i3i n SER 171 Ca -0.02 -1.43 0.15 0.00 -0.26 0.00 0.00 58.87 57.30 2i3i n SER 171 Cb 0.06 0.48 0.68 0.00 -0.26 0.00 0.00 64.21 65.18 2i3i n SER 171 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06