#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i s GLN 95 N 0.00 0.49 -0.04 1.09 2.00 -1.26 -5.17 119.66 116.76 2k2i s GLN 95 Ca 0.00 -0.91 -0.11 0.00 -2.00 0.00 0.00 55.36 52.34 2k2i s GLN 95 Cb 0.00 0.09 0.02 0.00 0.80 0.00 0.00 33.01 33.91 2k2i s GLN 95 CO 0.00 -0.06 0.25 -1.59 -0.50 0.00 0.00 175.29 173.39 2k2i s LYS 96 N -2.60 0.49 -0.01 1.67 -2.85 -1.26 -5.17 119.74 110.01 2k2i s LYS 96 Ca -0.04 -0.05 0.05 0.00 -1.00 0.00 0.00 55.97 54.92 2k2i s LYS 96 Cb -0.02 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2k2i s LYS 96 CO -0.05 -0.11 -0.16 1.41 0.10 0.00 0.00 175.35 176.54 2k2i s MET 97 N -0.83 1.34 -1.34 1.78 1.75 -1.26 -5.05 119.30 115.69 2k2i s MET 97 Ca -0.09 -0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 53.61 2k2i s MET 97 Cb -0.05 -1.29 0.08 0.00 2.84 0.00 0.00 34.83 36.42 2k2i s MET 97 CO 0.02 0.34 1.86 0.43 -0.65 0.00 0.00 175.02 177.02 2k2i n SER 98 N 2.70 4.67 -4.83 1.11 7.64 -1.26 -4.98 113.62 118.68 2k2i n SER 98 Ca -0.15 -2.91 -0.35 0.00 1.01 0.00 0.00 58.87 56.47 2k2i n SER 98 Cb 0.54 -1.69 -0.06 0.00 -1.01 0.00 0.00 64.21 61.99 2k2i n SER 98 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k2i s GLU 99 N 3.41 4.15 -0.08 1.43 -1.05 -1.26 -4.95 118.70 120.36 2k2i s GLU 99 Ca 0.50 0.79 0.19 0.00 -0.15 0.00 0.00 54.97 56.30 2k2i s GLU 99 Cb 0.07 -2.69 0.35 0.00 -0.44 0.00 0.00 34.13 31.41 2k2i s GLU 99 CO 0.02 0.29 1.15 0.36 0.95 0.00 0.00 175.26 178.04 2k2i n LYS 100 N 0.28 0.44 0.22 -4.83 0.00 -1.26 -4.93 118.16 108.07 2k2i n LYS 100 Ca 0.00 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.31 2k2i n LYS 100 Cb 0.52 -0.16 0.00 0.00 -0.00 0.00 0.00 35.03 35.39 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k2i n ASP 101 N 0.02 -3.57 -0.04 -5.58 5.68 -1.26 -4.78 116.55 107.02 2k2i n ASP 101 Ca -0.03 0.83 -0.10 0.00 -0.50 0.00 0.00 54.79 54.98 2k2i n ASP 101 Cb 0.96 3.35 -0.04 0.00 -1.14 0.00 0.00 41.12 44.26 2k2i n ASP 101 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2k2i h THR 102 N 0.00 1.09 -0.66 2.12 1.35 -1.98 0.12 112.91 114.95 2k2i h THR 102 Ca 0.00 -0.24 0.08 0.00 -0.55 0.00 0.00 66.41 65.70 2k2i h THR 102 Cb 0.00 0.91 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 2k2i h THR 102 CO 0.00 0.09 0.44 0.11 -0.25 0.00 0.00 175.52 175.91 2k2i h LYS 103 N 0.21 0.58 0.06 4.72 6.56 -1.93 0.38 116.57 127.14 2k2i h LYS 103 Ca 0.07 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2k2i h LYS 103 Cb 0.05 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 2k2i h LYS 103 CO -0.01 0.38 -0.03 1.49 -2.06 0.00 0.00 179.45 179.22 2k2i h GLU 104 N 0.59 -0.08 -1.00 3.15 4.57 -1.78 0.57 114.58 120.60 2k2i h GLU 104 Ca 0.30 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 2k2i h GLU 104 Cb 0.39 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 2k2i h GLU 104 CO -0.10 -0.03 0.66 1.49 -1.18 0.00 0.00 179.01 179.85 2k2i h GLU 105 N -0.11 1.27 -0.27 1.92 4.81 0.01 0.97 114.58 123.19 2k2i h GLU 105 Ca -0.01 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2k2i h GLU 105 Cb 0.09 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2k2i h GLU 105 CO 0.01 0.84 0.17 0.82 -0.73 0.00 0.00 179.01 180.12 2k2i h ILE 106 N 1.31 1.05 -0.70 2.32 2.04 -0.09 0.52 117.51 123.96 2k2i h ILE 106 Ca 0.38 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 2k2i h ILE 106 Cb -0.08 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2k2i h ILE 106 CO -0.10 0.06 0.43 0.25 0.00 0.00 0.00 178.15 178.79 2k2i h LEU 107 N 0.34 0.83 -0.53 1.44 7.12 -0.49 0.14 115.31 124.16 2k2i h LEU 107 Ca 0.10 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 2k2i h LEU 107 Cb -0.02 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 2k2i h LEU 107 CO -0.03 0.64 0.18 0.11 -0.13 0.00 0.00 178.44 179.20 2k2i h LYS 108 N 0.95 0.81 -0.81 1.25 6.56 -0.52 -2.18 116.57 122.63 2k2i h LYS 108 Ca 0.25 -0.17 0.01 0.00 -1.06 0.00 0.00 60.65 59.68 2k2i h LYS 108 Cb -0.05 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.45 2k2i h LYS 108 CO -0.05 0.74 0.54 0.00 -2.06 0.00 0.00 179.45 178.61 2k2i h ALA 109 N 1.04 1.03 -0.80 3.86 0.00 0.35 -0.71 119.26 124.02 2k2i h ALA 109 Ca 0.17 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2k2i h ALA 109 Cb 0.25 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2k2i h ALA 109 CO -0.01 0.44 0.42 0.35 0.00 0.00 0.00 179.25 180.44 2k2i h PHE 110 N 1.10 0.74 0.00 0.00 3.04 -0.61 -0.29 116.94 120.92 2k2i h PHE 110 Ca 0.30 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2k2i h PHE 110 Cb -0.13 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.17 2k2i h PHE 110 CO -0.02 0.23 0.00 1.17 -2.02 0.00 0.00 178.31 177.68 2k2i n LYS 111 N -4.84 0.16 0.13 1.11 4.81 -0.74 -0.40 118.16 118.38 2k2i n LYS 111 Ca 0.14 0.17 -0.21 0.00 -0.87 0.00 0.00 58.31 57.55 2k2i n LYS 111 Cb 0.34 -1.70 -0.15 0.00 0.02 0.00 0.00 35.03 33.55 2k2i n LYS 111 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k2i h LEU 112 N 0.00 0.66 0.85 3.14 3.38 0.04 -3.32 115.31 120.06 2k2i h LEU 112 Ca 0.00 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 2k2i h LEU 112 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k2i h LEU 112 CO 0.00 1.56 -0.45 -0.26 0.09 0.00 0.00 178.44 179.38 2k2i h PHE 113 N 0.12 -1.18 -1.12 1.13 0.04 -0.97 -3.42 116.94 111.53 2k2i h PHE 113 Ca -0.20 -0.02 -0.34 0.00 2.80 0.00 0.00 57.97 60.21 2k2i h PHE 113 Cb 2.09 0.40 -0.04 0.00 2.20 0.00 0.00 35.95 40.60 2k2i h PHE 113 CO 0.10 -0.70 0.90 0.34 -0.60 0.00 0.00 178.31 178.35 2k2i s ASP 114 N -3.87 5.00 0.28 2.17 -1.08 0.46 -4.72 116.67 114.91 2k2i s ASP 114 Ca -0.18 -0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 51.66 2k2i s ASP 114 Cb 0.02 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.40 2k2i s ASP 114 CO 0.55 -2.77 1.87 0.44 0.52 0.00 0.00 175.17 175.78 2k2i h ASP 115 N 13.09 1.00 1.11 -0.34 3.32 -1.82 -2.89 116.42 129.89 2k2i h ASP 115 Ca -0.04 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2k2i h ASP 115 Cb 1.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2k2i h ASP 115 CO 1.19 0.60 -0.92 -0.78 -1.72 0.00 0.00 179.24 177.61 2k2i h ASP 116 N 1.11 0.00 -3.55 6.45 3.58 -1.95 -3.48 116.42 118.58 2k2i h ASP 116 Ca 0.45 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.71 2k2i h ASP 116 Cb 0.28 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.40 2k2i h ASP 116 CO -0.20 0.19 -0.36 -0.62 -2.88 0.00 0.00 179.24 175.37 2k2i n GLU 117 N -2.84 -3.85 0.00 0.28 1.02 -1.09 -4.98 120.64 109.18 2k2i n GLU 117 Ca -0.02 0.42 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 2k2i n GLU 117 Cb 0.64 -4.21 -0.14 0.00 -0.02 0.00 0.00 31.44 27.71 2k2i n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2i h THR 118 N -1.26 0.75 0.00 2.62 1.03 -1.92 -3.48 112.91 110.64 2k2i h THR 118 Ca -0.29 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 63.59 2k2i h THR 118 Cb 1.18 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 70.76 2k2i h THR 118 CO 0.27 0.73 0.00 0.61 -0.01 0.00 0.00 175.52 177.13 2k2i n GLY 119 N 1.80 1.95 3.38 2.99 0.00 -1.26 -5.14 105.19 108.91 2k2i n GLY 119 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N -0.22 0.73 -0.58 1.61 1.02 -1.26 -4.59 119.74 116.45 2k2i s LYS 120 Ca 0.00 0.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.13 2k2i s LYS 120 Cb 0.00 0.34 0.10 0.00 -0.52 0.00 0.00 37.83 37.75 2k2i s LYS 120 CO 0.00 -0.17 0.69 0.42 -0.92 0.00 0.00 175.35 175.37 2k2i s ILE 121 N -0.57 4.85 0.72 2.17 1.01 0.16 -4.52 121.20 125.02 2k2i s ILE 121 Ca -0.07 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 2k2i s ILE 121 Cb -0.03 -4.47 0.09 0.00 0.01 0.00 0.00 42.46 38.05 2k2i s ILE 121 CO 0.04 -1.10 1.02 -0.55 0.00 0.00 0.00 174.94 174.36 2k2i s SER 122 N 3.58 4.56 0.27 3.58 0.15 -1.26 -0.16 113.70 124.42 2k2i s SER 122 Ca 0.11 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 2k2i s SER 122 Cb -0.24 -0.77 0.48 0.00 -1.71 0.00 0.00 66.02 63.78 2k2i s SER 122 CO 0.06 -1.74 1.83 0.15 1.20 0.00 0.00 173.24 174.74 2k2i h PHE 123 N -0.64 1.04 -0.29 3.44 3.57 -1.96 0.16 116.94 122.25 2k2i h PHE 123 Ca -0.43 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.17 2k2i h PHE 123 Cb 1.29 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 2k2i h PHE 123 CO 0.04 0.43 -0.17 0.87 -2.23 0.00 0.00 178.31 177.25 2k2i h LYS 124 N 0.93 -0.14 -0.32 1.11 1.57 -1.98 0.13 116.57 117.87 2k2i h LYS 124 Ca 0.45 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 59.10 2k2i h LYS 124 Cb 0.41 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2k2i h LYS 124 CO -0.25 -0.09 -0.36 -0.91 -0.57 0.00 0.00 179.45 177.27 2k2i h ASN 125 N -0.15 0.87 0.12 0.86 4.21 -1.64 0.71 115.58 120.56 2k2i h ASN 125 Ca 0.15 -0.48 0.01 0.00 1.21 0.00 0.00 56.30 57.19 2k2i h ASN 125 Cb 0.38 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 2k2i h ASN 125 CO -0.38 1.17 -0.20 0.25 -1.29 0.00 0.00 177.43 176.99 2k2i h LEU 126 N 0.58 -0.55 -1.06 1.61 7.12 -0.75 -0.44 115.31 121.82 2k2i h LEU 126 Ca 0.05 0.06 -0.08 0.00 0.13 0.00 0.00 57.88 58.04 2k2i h LEU 126 Cb 0.95 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2k2i h LEU 126 CO 0.09 -0.28 -0.18 0.50 -0.13 0.00 0.00 178.44 178.43 2k2i h LYS 127 N -0.38 0.45 0.01 1.25 3.64 -0.72 -2.64 116.57 118.18 2k2i h LYS 127 Ca 0.02 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2k2i h LYS 127 Cb 0.40 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2k2i h LYS 127 CO -0.10 0.62 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.48 2k2i h ARG 128 N 0.41 -0.21 -0.87 1.90 1.12 -0.54 -2.05 114.38 114.14 2k2i h ARG 128 Ca 0.07 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.99 2k2i h ARG 128 Cb 0.56 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.52 2k2i h ARG 128 CO 0.04 -0.14 0.56 0.28 -3.11 0.00 0.00 179.97 177.60 2k2i h VAL 129 N -0.22 1.15 -0.71 0.20 2.07 -0.93 -1.03 116.25 116.78 2k2i h VAL 129 Ca 0.04 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.31 2k2i h VAL 129 Cb 0.27 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 2k2i h VAL 129 CO -0.12 0.20 0.29 0.00 0.02 0.00 0.00 177.57 177.96 2k2i h ALA 130 N 1.36 0.97 -0.02 1.67 0.00 -1.31 -1.31 119.26 120.61 2k2i h ALA 130 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2k2i h ALA 130 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k2i h ALA 130 CO -0.11 -0.18 0.00 0.36 0.00 0.00 0.00 179.25 179.32 2k2i n LYS 131 N -4.98 1.21 -0.02 0.00 -0.00 -0.61 -0.28 118.16 113.48 2k2i n LYS 131 Ca 0.12 -0.31 -0.18 0.00 -0.00 0.00 0.00 58.31 57.94 2k2i n LYS 131 Cb 0.35 -1.43 -0.13 0.00 -0.00 0.00 0.00 35.03 33.82 2k2i n LYS 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2k2i h GLU 132 N 0.71 0.14 -0.28 -1.58 4.39 -0.13 -3.39 114.58 114.44 2k2i h GLU 132 Ca 0.00 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 2k2i h GLU 132 Cb 0.15 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k2i h GLU 132 CO 0.00 1.11 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.65 2k2i h LEU 133 N -0.67 0.70 0.00 1.33 3.38 -1.27 -3.48 115.31 115.30 2k2i h LEU 133 Ca -0.15 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2k2i h LEU 133 Cb 1.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k2i h LEU 133 CO 0.03 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2k2i n GLY 134 N 0.12 1.69 3.60 0.83 0.00 0.61 -5.08 105.19 106.96 2k2i n GLY 134 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2k2i n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 135 N -0.68 3.85 -0.58 1.61 2.02 -0.51 -4.96 118.70 119.45 2k2i s GLU 135 Ca 0.00 0.39 -0.07 0.00 0.02 0.00 0.00 54.97 55.31 2k2i s GLU 135 Cb 0.00 -3.77 -0.20 0.00 0.10 0.00 0.00 34.13 30.27 2k2i s GLU 135 CO 0.00 -0.74 3.29 0.27 0.02 0.00 0.00 175.26 178.11 2k2i n ASN 136 N 6.23 6.33 -4.82 -0.19 6.94 -1.26 -4.67 115.26 123.81 2k2i n ASN 136 Ca 0.02 -2.48 -0.34 0.00 -0.02 0.00 0.00 54.58 51.76 2k2i n ASN 136 Cb 0.48 -1.43 -0.06 0.00 -2.36 0.00 0.00 39.78 36.41 2k2i n ASN 136 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k2i s LEU 137 N 0.06 4.16 0.43 -4.53 1.02 -1.26 -5.07 118.68 113.49 2k2i s LEU 137 Ca 0.66 1.49 -0.14 0.00 0.02 0.00 0.00 54.13 56.16 2k2i s LEU 137 Cb 0.26 -4.03 -0.07 0.00 0.02 0.00 0.00 46.19 42.36 2k2i s LEU 137 CO -0.02 -0.15 0.84 -0.89 0.02 0.00 0.00 176.35 176.15 2k2i s THR 138 N -1.84 4.67 0.32 5.49 2.01 -1.26 -4.90 115.64 120.12 2k2i s THR 138 Ca 0.52 0.91 0.08 0.00 0.31 0.00 0.00 61.69 63.50 2k2i s THR 138 Cb -0.13 -3.70 0.31 0.00 0.01 0.00 0.00 72.50 68.99 2k2i s THR 138 CO 0.18 -0.51 1.77 0.44 -0.69 0.00 0.00 174.62 175.81 2k2i h ASP 139 N 1.33 0.73 -0.81 3.53 5.19 -1.99 0.34 116.42 124.74 2k2i h ASP 139 Ca -0.47 0.10 0.08 0.00 -0.62 0.00 0.00 57.03 56.12 2k2i h ASP 139 Cb 1.18 -0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.60 2k2i h ASP 139 CO 0.63 0.23 0.47 -0.08 -3.12 0.00 0.00 179.24 177.37 2k2i h GLU 140 N 0.70 0.79 -0.18 3.56 4.81 -1.98 0.14 114.58 122.41 2k2i h GLU 140 Ca 0.59 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.60 2k2i h GLU 140 Cb 1.01 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2k2i h GLU 140 CO -0.39 0.52 -0.59 0.93 -0.73 0.00 0.00 179.01 178.75 2k2i h GLU 141 N 0.81 0.60 -0.62 1.92 5.08 -1.34 0.12 114.58 121.16 2k2i h GLU 141 Ca 0.38 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2k2i h GLU 141 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k2i h GLU 141 CO -0.23 1.01 0.09 -0.07 -1.00 0.00 0.00 179.01 178.82 2k2i h LEU 142 N 0.45 0.98 -0.51 1.33 -0.00 -1.04 -2.84 115.31 113.69 2k2i h LEU 142 Ca -0.00 -0.26 -0.09 0.00 -0.00 0.00 0.00 57.88 57.52 2k2i h LEU 142 Cb 1.15 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 41.53 2k2i h LEU 142 CO 0.11 1.00 -0.05 -0.61 -0.00 0.00 0.00 178.44 178.90 2k2i h GLN 143 N 0.93 0.93 -0.55 1.13 5.75 -0.42 -2.52 115.11 120.36 2k2i h GLN 143 Ca 0.19 -0.32 0.11 0.00 -0.15 0.00 0.00 58.65 58.48 2k2i h GLN 143 Cb 0.44 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.82 2k2i h GLN 143 CO 0.01 0.97 -0.04 0.93 -2.65 0.00 0.00 178.83 178.06 2k2i h GLU 144 N 0.79 0.08 -0.30 1.69 4.39 -0.74 0.29 114.58 120.79 2k2i h GLU 144 Ca 0.14 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.89 2k2i h GLU 144 Cb 0.58 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 2k2i h GLU 144 CO 0.04 0.05 -0.00 0.52 -1.16 0.00 0.00 179.01 178.46 2k2i h MET 145 N 0.08 0.08 0.19 2.33 2.86 -1.34 0.10 114.93 119.24 2k2i h MET 145 Ca 0.28 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2k2i h MET 145 Cb 0.43 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2k2i h MET 145 CO -0.49 0.06 -0.22 0.82 1.06 0.00 0.00 176.91 178.13 2k2i h ILE 146 N 0.09 0.51 -0.34 -1.22 1.08 -0.91 -2.53 117.51 114.18 2k2i h ILE 146 Ca 0.14 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.55 2k2i h ILE 146 Cb 0.19 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 2k2i h ILE 146 CO -0.24 0.00 -0.05 0.44 -0.69 0.00 0.00 178.15 177.61 2k2i h ASP 147 N -0.46 0.53 -0.32 1.72 5.19 -0.26 0.36 116.42 123.17 2k2i h ASP 147 Ca 0.01 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2k2i h ASP 147 Cb 0.45 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2k2i h ASP 147 CO -0.08 0.64 0.20 -0.08 -3.12 0.00 0.00 179.24 176.80 2k2i h GLU 148 N 0.53 0.44 -0.02 3.56 4.81 -0.78 -3.29 114.58 119.83 2k2i h GLU 148 Ca 0.11 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2k2i h GLU 148 Cb 0.41 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2k2i h GLU 148 CO 0.02 0.33 -0.21 0.00 -0.73 0.00 0.00 179.01 178.41 2k2i h ALA 149 N 1.08 0.05 0.00 2.92 0.00 -0.96 -3.38 119.26 118.97 2k2i h ALA 149 Ca 0.12 -0.43 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 2k2i h ALA 149 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k2i h ALA 149 CO -0.02 0.06 2.92 -3.47 0.00 0.00 0.00 179.25 178.74 2k2i n ASP 150 N -4.54 3.89 0.22 0.00 2.03 0.12 -4.70 116.55 113.56 2k2i n ASP 150 Ca -0.09 -2.75 0.05 0.00 0.52 0.00 0.00 54.79 52.52 2k2i n ASP 150 Cb 0.47 -1.46 0.52 0.00 -0.72 0.00 0.00 41.12 39.92 2k2i n ASP 150 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2k2i h ARG 151 N 6.50 0.03 0.00 -0.67 2.43 -1.75 -3.08 114.38 117.83 2k2i h ARG 151 Ca 0.55 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.56 2k2i h ARG 151 Cb 0.60 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2k2i h ARG 151 CO 1.89 0.17 -1.79 -0.25 -1.51 0.00 0.00 179.97 178.47 2k2i n ASP 152 N -4.36 0.39 0.00 -3.80 9.92 -1.26 -5.04 116.55 112.41 2k2i n ASP 152 Ca -0.02 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2k2i n ASP 152 Cb 0.22 0.93 0.00 0.00 -0.64 0.00 0.00 41.12 41.63 2k2i n ASP 152 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2i n GLY 153 N 1.43 0.67 0.09 0.44 0.00 -1.16 -5.02 105.19 101.64 2k2i n GLY 153 Ca -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 2k2i n GLY 153 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k2i h ASP 154 N 0.00 0.00 0.00 1.61 3.58 -1.96 -3.48 116.42 116.17 2k2i h ASP 154 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k2i h ASP 154 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k2i h ASP 154 CO 0.00 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.71 2k2i n GLY 155 N 1.38 0.51 3.76 -0.78 0.00 -1.26 -4.98 105.19 103.82 2k2i n GLY 155 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2k2i n GLY 155 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2i s GLU 156 N -0.98 0.95 -0.23 1.61 -1.05 -1.26 -4.73 118.70 113.01 2k2i s GLU 156 Ca 0.00 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 2k2i s GLU 156 Cb 0.00 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2k2i s GLU 156 CO 0.00 -0.44 -0.11 0.08 0.95 0.00 0.00 175.26 175.74 2k2i s VAL 157 N -2.73 2.45 0.92 1.83 1.01 0.78 -4.77 120.40 119.89 2k2i s VAL 157 Ca 0.16 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2k2i s VAL 157 Cb 0.00 -2.25 0.21 0.00 0.00 0.00 0.00 36.38 34.34 2k2i s VAL 157 CO 0.01 0.22 1.26 -0.55 0.00 0.00 0.00 175.10 176.04 2k2i s SER 158 N 1.25 3.20 0.07 3.32 0.15 -1.26 0.38 113.70 120.81 2k2i s SER 158 Ca -0.01 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.35 2k2i s SER 158 Cb -0.17 0.03 -0.15 0.00 -1.71 0.00 0.00 66.02 64.02 2k2i s SER 158 CO -0.07 -2.65 1.65 -0.33 1.20 0.00 0.00 173.24 173.03 2k2i h GLU 159 N -1.43 0.03 -0.92 5.44 5.08 -1.99 0.26 114.58 121.04 2k2i h GLU 159 Ca -0.41 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.06 2k2i h GLU 159 Cb 1.23 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2k2i h GLU 159 CO 0.33 0.12 0.55 -0.56 -1.00 0.00 0.00 179.01 178.45 2k2i h GLN 160 N -0.07 0.87 -0.45 2.33 3.07 -1.97 0.21 115.11 119.10 2k2i h GLN 160 Ca 0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 58.65 58.57 2k2i h GLN 160 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2k2i h GLN 160 CO -0.00 0.57 -0.23 0.93 0.09 0.00 0.00 178.83 180.19 2k2i h GLU 161 N 0.89 0.92 -0.47 0.06 3.07 -1.73 0.29 114.58 117.61 2k2i h GLU 161 Ca 0.45 -0.39 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 2k2i h GLU 161 Cb 0.44 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2k2i h GLU 161 CO -0.26 1.05 0.01 0.35 -1.40 0.00 0.00 179.01 178.76 2k2i h PHE 162 N 0.79 0.89 -0.51 4.33 3.57 -0.42 -0.81 116.94 124.78 2k2i h PHE 162 Ca 0.10 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 2k2i h PHE 162 Cb 0.79 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2k2i h PHE 162 CO 0.05 0.85 0.05 -0.07 -2.23 0.00 0.00 178.31 176.96 2k2i h LEU 163 N 0.67 0.78 0.03 0.59 3.38 -0.41 0.10 115.31 120.46 2k2i h LEU 163 Ca 0.13 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k2i h LEU 163 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2k2i h LEU 163 CO 0.02 0.81 -0.10 0.03 0.09 0.00 0.00 178.44 179.29 2k2i h ARG 164 N 0.77 -0.19 -0.33 1.13 3.08 -0.28 0.24 114.38 118.81 2k2i h ARG 164 Ca 0.16 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2k2i h ARG 164 Cb 0.39 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2k2i h ARG 164 CO 0.01 -0.13 -0.29 0.97 -1.07 0.00 0.00 179.97 179.47 2k2i h ILE 165 N -0.20 1.28 0.00 2.04 -0.00 -0.96 -0.71 117.51 118.96 2k2i h ILE 165 Ca 0.03 -1.41 -0.04 0.00 -0.00 0.00 0.00 64.86 63.44 2k2i h ILE 165 Cb 0.23 1.34 -0.01 0.00 -0.00 0.00 0.00 36.82 38.38 2k2i h ILE 165 CO -0.08 0.46 -0.17 0.24 -0.00 0.00 0.00 178.15 178.60 2k2i h MET 166 N 0.58 0.00 -0.09 2.19 2.86 -0.76 -1.83 114.93 117.88 2k2i h MET 166 Ca 0.07 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 2k2i h MET 166 Cb 0.79 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2k2i h MET 166 CO 0.06 0.17 -0.74 -0.22 1.06 0.00 0.00 176.91 177.25 2k2i h LYS 167 N 0.00 0.46 0.09 1.72 3.64 -0.32 -3.29 116.57 118.86 2k2i h LYS 167 Ca -0.00 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2k2i h LYS 167 Cb 0.44 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2k2i h LYS 167 CO 0.02 1.01 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.76 2k2i h LYS 168 N 0.31 -0.40 -5.83 1.90 3.64 -0.51 -3.38 116.57 112.30 2k2i h LYS 168 Ca -0.03 0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.75 2k2i h LYS 168 Cb 1.32 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 33.11 2k2i h LYS 168 CO 0.13 -0.27 1.41 0.99 -2.27 0.00 0.00 179.45 179.44 2k2i s THR 169 N -6.08 4.13 -0.13 1.00 2.01 -0.75 -4.77 115.64 111.05 2k2i s THR 169 Ca -0.15 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2k2i s THR 169 Cb 0.08 -5.01 0.00 0.00 0.01 0.00 0.00 72.50 67.58 2k2i s THR 169 CO 0.65 -1.85 0.90 -1.54 -0.69 0.00 0.00 174.62 172.10 2k2i n SER 170 N 8.29 2.65 -2.30 3.53 3.41 -1.26 -4.59 113.62 123.35 2k2i n SER 170 Ca 0.32 -1.93 -0.16 0.00 -0.26 0.00 0.00 58.87 56.84 2k2i n SER 170 Cb 0.50 -0.48 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k2i n LEU 171 N 0.45 -2.49 0.00 1.04 7.94 -1.26 -5.16 117.00 117.52 2k2i n LEU 171 Ca 0.00 -0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 2k2i n LEU 171 Cb 0.45 -2.26 0.00 0.00 0.53 0.00 0.00 43.42 42.14 2k2i n LEU 171 CO 0.00 0.23 0.00 0.00 -1.11 0.00 0.00 177.39 176.51