#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 2.26 0.00 -0.78 -2.07 -1.26 -5.10 119.66 112.72 2k2i s GLN 95 Ca 0.00 0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 2k2i s GLN 95 Cb 0.00 -1.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.95 2k2i s GLN 95 CO 0.00 -1.43 0.00 1.63 -1.32 0.00 0.00 175.29 174.17 2k2i n LYS 96 N -3.24 0.53 0.00 9.60 5.02 -1.26 -5.16 118.16 123.64 2k2i n LYS 96 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k2i n LYS 96 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2k2i n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k2i n MET 97 N 0.00 0.00 -3.62 1.97 2.81 -1.26 -5.15 117.12 111.87 2k2i n MET 97 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 2k2i n MET 97 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 2k2i n MET 97 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2k2i s SER 98 N -2.42 -0.08 0.05 7.83 0.01 -1.26 -5.09 113.70 112.74 2k2i s SER 98 Ca 0.00 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2k2i s SER 98 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2k2i s SER 98 CO 0.00 -0.13 0.00 -0.62 0.41 0.00 0.00 173.24 172.90 2k2i n GLU 99 N -0.05 0.00 -0.03 12.44 1.02 -1.26 -4.94 120.64 127.82 2k2i n GLU 99 Ca 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 2k2i n GLU 99 Cb 0.57 -0.08 -0.11 0.00 -0.02 0.00 0.00 31.44 31.80 2k2i n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2i n LYS 100 N -2.76 0.89 0.18 3.49 5.02 -1.26 -4.69 118.16 119.03 2k2i n LYS 100 Ca 0.00 -0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.30 2k2i n LYS 100 Cb 0.00 -1.35 0.63 0.00 -0.02 0.00 0.00 35.03 34.29 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k2i h ASP 101 N 0.00 0.05 -0.83 4.39 5.19 -1.98 -2.30 116.42 120.94 2k2i h ASP 101 Ca -0.12 -0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2k2i h ASP 101 Cb 1.06 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.51 2k2i h ASP 101 CO 0.01 0.04 0.54 0.71 -3.12 0.00 0.00 179.24 177.41 2k2i h THR 102 N 0.06 1.05 -0.22 0.35 1.35 -1.97 0.14 112.91 113.67 2k2i h THR 102 Ca 0.07 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 2k2i h THR 102 Cb 0.20 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.67 2k2i h THR 102 CO -0.01 0.17 -0.00 0.50 -0.25 0.00 0.00 175.52 175.93 2k2i h LYS 103 N 0.92 0.40 -0.23 4.72 3.64 -1.78 0.54 116.57 124.78 2k2i h LYS 103 Ca 0.35 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 2k2i h LYS 103 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2k2i h LYS 103 CO -0.13 0.59 -0.49 1.05 -2.27 0.00 0.00 179.45 178.20 2k2i h GLU 104 N 0.16 0.61 -0.18 1.90 -0.00 -1.61 -1.14 114.58 114.32 2k2i h GLU 104 Ca 0.06 -0.36 0.04 0.00 -0.00 0.00 0.00 59.36 59.10 2k2i h GLU 104 Cb 0.41 0.03 -0.04 0.00 -0.00 0.00 0.00 28.75 29.15 2k2i h GLU 104 CO 0.01 0.97 -0.07 1.49 -0.00 0.00 0.00 179.01 181.41 2k2i h GLU 105 N 0.48 -0.04 -0.41 1.06 4.22 -0.67 0.34 114.58 119.57 2k2i h GLU 105 Ca 0.02 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.48 2k2i h GLU 105 Cb 1.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2k2i h GLU 105 CO 0.10 -0.03 0.24 0.82 -2.18 0.00 0.00 179.01 177.96 2k2i h ILE 106 N -0.04 1.05 -0.88 2.32 1.08 -0.79 0.27 117.51 120.52 2k2i h ILE 106 Ca 0.10 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2k2i h ILE 106 Cb 0.19 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 2k2i h ILE 106 CO -0.22 0.09 0.48 -0.07 -0.69 0.00 0.00 178.15 177.74 2k2i h LEU 107 N 0.50 1.10 -0.43 1.44 4.07 -0.88 0.12 115.31 121.22 2k2i h LEU 107 Ca 0.16 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 2k2i h LEU 107 Cb -0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 2k2i h LEU 107 CO -0.07 0.88 -0.01 0.11 -1.08 0.00 0.00 178.44 178.27 2k2i h LYS 108 N 1.23 0.77 -0.57 1.13 1.57 -0.08 -1.67 116.57 118.94 2k2i h LYS 108 Ca 0.31 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2k2i h LYS 108 Cb 0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2k2i h LYS 108 CO -0.05 0.84 0.31 0.00 -0.57 0.00 0.00 179.45 179.99 2k2i h ALA 109 N 0.89 0.74 -0.70 3.86 0.00 -0.15 0.83 119.26 124.73 2k2i h ALA 109 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2k2i h ALA 109 Cb 0.51 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2k2i h ALA 109 CO 0.02 -0.01 0.31 0.35 0.00 0.00 0.00 179.25 179.92 2k2i h PHE 110 N 0.60 0.54 0.00 0.00 3.57 -0.70 0.05 116.94 121.00 2k2i h PHE 110 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2k2i h PHE 110 Cb 0.12 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2k2i h PHE 110 CO -0.09 0.14 0.00 0.87 -2.23 0.00 0.00 178.31 177.01 2k2i h LYS 111 N 0.51 0.00 0.01 1.11 1.79 -0.60 -1.43 116.57 117.95 2k2i h LYS 111 Ca 0.36 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.62 2k2i h LYS 111 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2k2i h LYS 111 CO -0.32 0.00 -0.92 -0.07 -1.08 0.00 0.00 179.45 177.06 2k2i h LEU 112 N 0.00 0.38 0.88 2.94 3.38 -0.19 -3.28 115.31 119.42 2k2i h LEU 112 Ca 0.00 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2k2i h LEU 112 Cb 0.81 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2k2i h LEU 112 CO 0.00 1.12 -0.46 -0.26 0.09 0.00 0.00 178.44 178.93 2k2i h PHE 113 N 0.16 -1.20 -2.28 1.13 0.04 -0.83 -3.41 116.94 110.54 2k2i h PHE 113 Ca -0.06 -0.02 -0.67 0.00 2.80 0.00 0.00 57.97 60.01 2k2i h PHE 113 Cb 1.56 0.41 -0.16 0.00 2.20 0.00 0.00 35.95 39.95 2k2i h PHE 113 CO 0.04 -0.72 0.88 0.34 -0.60 0.00 0.00 178.31 178.25 2k2i s ASP 114 N -4.12 6.56 0.47 2.17 2.15 -0.55 -4.59 116.67 118.76 2k2i s ASP 114 Ca -0.19 -1.86 0.23 0.00 0.43 0.00 0.00 52.55 51.16 2k2i s ASP 114 Cb 0.03 -2.42 1.17 0.00 -0.30 0.00 0.00 42.92 41.40 2k2i s ASP 114 CO 0.61 -1.16 1.97 0.44 -0.17 0.00 0.00 175.17 176.86 2k2i h ASP 115 N 9.03 0.00 1.21 -0.34 3.32 -1.79 -3.32 116.42 124.54 2k2i h ASP 115 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2k2i h ASP 115 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2k2i h ASP 115 CO 1.15 0.20 -0.68 0.44 -1.72 0.00 0.00 179.24 178.63 2k2i h ASP 116 N 0.00 0.00 -4.38 6.45 3.32 -1.93 -3.48 116.42 116.39 2k2i h ASP 116 Ca -0.00 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 2k2i h ASP 116 Cb 0.48 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.14 2k2i h ASP 116 CO 0.03 0.02 -0.50 -0.62 -1.72 0.00 0.00 179.24 176.44 2k2i n GLU 117 N -2.66 -4.40 0.05 3.56 -0.58 -1.25 -4.95 120.64 110.42 2k2i n GLU 117 Ca 0.02 0.56 -0.12 0.00 -0.42 0.00 0.00 57.16 57.19 2k2i n GLU 117 Cb 0.52 -4.71 -0.13 0.00 -0.57 0.00 0.00 31.44 26.54 2k2i n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k2i h THR 118 N -1.28 1.32 0.00 2.62 1.03 -1.92 -3.48 112.91 111.20 2k2i h THR 118 Ca -0.39 -3.01 0.00 0.00 -0.01 0.00 0.00 66.41 63.00 2k2i h THR 118 Cb 1.22 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 71.05 2k2i h THR 118 CO 0.33 0.82 0.00 0.61 -0.01 0.00 0.00 175.52 177.27 2k2i n GLY 119 N 1.53 0.69 3.05 2.99 0.00 -1.26 -5.02 105.19 107.16 2k2i n GLY 119 Ca -0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.47 0.34 -0.60 1.61 1.02 -1.26 -4.16 119.74 116.22 2k2i s LYS 120 Ca 0.00 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.56 2k2i s LYS 120 Cb 0.00 0.14 0.08 0.00 -0.52 0.00 0.00 37.83 37.53 2k2i s LYS 120 CO 0.00 -0.07 0.83 0.42 -0.92 0.00 0.00 175.35 175.61 2k2i s ILE 121 N -0.87 4.57 0.87 2.17 1.01 0.17 -4.76 121.20 124.36 2k2i s ILE 121 Ca -0.10 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2k2i s ILE 121 Cb -0.06 -4.55 0.14 0.00 0.01 0.00 0.00 42.46 38.01 2k2i s ILE 121 CO 0.01 -1.22 1.23 -0.94 0.00 0.00 0.00 174.94 174.02 2k2i s SER 122 N 3.42 3.83 0.28 3.58 1.04 -1.26 0.05 113.70 124.64 2k2i s SER 122 Ca 0.19 0.45 0.02 0.00 0.48 0.00 0.00 55.95 57.09 2k2i s SER 122 Cb -0.19 -0.72 0.67 0.00 0.10 0.00 0.00 66.02 65.87 2k2i s SER 122 CO 0.10 -2.29 1.72 0.15 0.98 0.00 0.00 173.24 173.90 2k2i h PHE 123 N -1.29 0.69 -0.71 5.02 3.04 -1.92 0.67 116.94 122.44 2k2i h PHE 123 Ca -0.45 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.51 2k2i h PHE 123 Cb 1.28 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.59 2k2i h PHE 123 CO -0.44 0.03 0.31 0.87 -2.02 0.00 0.00 178.31 177.06 2k2i h LYS 124 N 0.47 1.05 -0.02 1.11 1.57 -1.99 0.79 116.57 119.56 2k2i h LYS 124 Ca 0.53 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 58.89 2k2i h LYS 124 Cb 0.93 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 33.08 2k2i h LYS 124 CO -0.47 0.85 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.41 2k2i h ASN 125 N 1.01 0.85 -0.66 0.86 4.21 -1.65 -3.00 115.58 117.21 2k2i h ASN 125 Ca 0.24 -0.73 0.04 0.00 1.21 0.00 0.00 56.30 57.06 2k2i h ASN 125 Cb 0.17 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.07 2k2i h ASN 125 CO -0.02 1.47 0.40 0.25 -1.29 0.00 0.00 177.43 178.23 2k2i h LEU 126 N 0.33 0.64 -1.85 1.61 6.46 -0.74 -2.69 115.31 119.06 2k2i h LEU 126 Ca -0.11 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2k2i h LEU 126 Cb 1.60 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 41.40 2k2i h LEU 126 CO 0.19 0.43 -0.04 0.50 -0.62 0.00 0.00 178.44 178.90 2k2i h LYS 127 N 0.77 0.05 -0.03 1.25 1.63 -0.81 -2.02 116.57 117.41 2k2i h LYS 127 Ca 0.27 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.10 2k2i h LYS 127 Cb 0.07 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2k2i h LYS 127 CO -0.13 0.09 -0.14 0.00 -3.45 0.00 0.00 179.45 175.82 2k2i h ARG 128 N 0.05 -0.22 -0.57 1.90 2.47 -1.33 -0.12 114.38 116.56 2k2i h ARG 128 Ca 0.01 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2k2i h ARG 128 Cb 0.10 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2k2i h ARG 128 CO 0.01 -0.15 0.00 0.28 0.56 0.00 0.00 179.97 180.67 2k2i h VAL 129 N -0.23 1.26 -0.94 2.04 2.07 -1.50 -0.27 116.25 118.69 2k2i h VAL 129 Ca 0.06 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.53 2k2i h VAL 129 Cb 0.30 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2k2i h VAL 129 CO -0.16 0.41 0.59 0.00 0.02 0.00 0.00 177.57 178.42 2k2i h ALA 130 N 0.97 1.33 0.29 1.67 0.00 -1.21 -1.14 119.26 121.16 2k2i h ALA 130 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k2i h ALA 130 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k2i h ALA 130 CO 0.03 0.31 -0.14 0.87 0.00 0.00 0.00 179.25 180.32 2k2i h LYS 131 N 1.03 -0.38 -0.02 0.00 1.57 -0.50 -0.18 116.57 118.09 2k2i h LYS 131 Ca 0.42 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2k2i h LYS 131 Cb 0.25 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2k2i h LYS 131 CO -0.20 -0.15 -0.51 0.93 -0.57 0.00 0.00 179.45 178.95 2k2i h GLU 132 N -0.54 0.06 0.23 3.15 4.39 -0.71 -2.24 114.58 118.91 2k2i h GLU 132 Ca -0.04 -0.03 -0.32 0.00 0.34 0.00 0.00 59.36 59.31 2k2i h GLU 132 Cb 0.40 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2k2i h GLU 132 CO 0.07 0.55 -1.38 -0.07 -1.16 0.00 0.00 179.01 177.02 2k2i h LEU 133 N 0.05 0.81 -1.54 1.33 -0.00 -1.34 -3.50 115.31 111.11 2k2i h LEU 133 Ca -0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.96 2k2i h LEU 133 Cb 0.91 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2k2i h LEU 133 CO 0.07 1.67 0.00 0.61 -0.00 0.00 0.00 178.44 180.79 2k2i n GLY 134 N 1.69 0.60 3.80 0.83 0.00 -0.15 -5.08 105.19 106.88 2k2i n GLY 134 Ca -0.16 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.51 1.67 0.19 1.61 0.41 -0.77 -4.99 118.70 114.30 2k2i s GLU 135 Ca 0.00 0.46 0.24 0.00 -0.41 0.00 0.00 54.97 55.25 2k2i s GLU 135 Cb 0.00 -1.89 0.26 0.00 -1.78 0.00 0.00 34.13 30.72 2k2i s GLU 135 CO 0.00 -1.87 1.29 -0.97 -0.49 0.00 0.00 175.26 173.22 2k2i h ASN 136 N -1.27 0.00 -3.49 -0.19 -0.00 -1.98 -3.47 115.58 105.18 2k2i h ASN 136 Ca -0.49 -0.10 -0.45 0.00 -0.00 0.00 0.00 56.30 55.26 2k2i h ASN 136 Cb 1.30 0.00 0.15 0.00 -0.00 0.00 0.00 38.32 39.77 2k2i h ASN 136 CO 0.61 0.05 0.35 -0.76 -0.00 0.00 0.00 177.43 177.68 2k2i s LEU 137 N -4.88 2.79 0.00 0.34 1.02 -1.26 -5.08 118.68 111.61 2k2i s LEU 137 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.24 2k2i s LEU 137 Cb 0.11 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2k2i s LEU 137 CO 0.73 -2.63 0.00 0.41 0.02 0.00 0.00 176.35 174.88 2k2i n THR 138 N -3.60 0.00 -1.51 5.49 -1.04 -1.26 -4.96 114.28 107.40 2k2i n THR 138 Ca 0.16 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 2k2i n THR 138 Cb 0.60 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 2k2i n THR 138 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k2i n ASP 139 N -2.15 0.00 -0.06 8.00 8.00 -1.26 -4.92 116.55 124.16 2k2i n ASP 139 Ca 0.00 -1.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.38 2k2i n ASP 139 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2k2i n ASP 139 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2k2i h GLU 140 N 0.00 0.32 -0.35 -1.24 3.07 -2.00 -3.23 114.58 111.15 2k2i h GLU 140 Ca 0.00 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 2k2i h GLU 140 Cb 0.60 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 2k2i h GLU 140 CO 0.00 0.52 -0.21 -0.85 -1.40 0.00 0.00 179.01 177.07 2k2i n GLU 141 N -4.72 -0.15 -0.06 2.33 0.28 -1.26 0.08 120.64 117.13 2k2i n GLU 141 Ca -0.05 0.68 -0.13 0.00 -0.16 0.00 0.00 57.16 57.50 2k2i n GLU 141 Cb 0.22 -1.01 -0.07 0.00 1.43 0.00 0.00 31.44 32.01 2k2i n GLU 141 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2k2i h LEU 142 N 0.00 0.44 -0.43 -1.84 -0.00 -1.95 0.46 115.31 111.99 2k2i h LEU 142 Ca 0.06 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2k2i h LEU 142 Cb 0.14 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 2k2i h LEU 142 CO -0.33 0.83 0.27 -0.61 -0.00 0.00 0.00 178.44 178.60 2k2i h GLN 143 N 0.05 0.57 0.09 1.13 4.15 -1.36 0.22 115.11 119.96 2k2i h GLN 143 Ca 0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k2i h GLN 143 Cb 0.71 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 2k2i h GLN 143 CO 0.04 0.40 -0.11 0.93 -1.93 0.00 0.00 178.83 178.16 2k2i h GLU 144 N 0.57 -0.23 -0.63 1.69 5.08 -0.32 0.18 114.58 120.92 2k2i h GLU 144 Ca 0.15 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2k2i h GLU 144 Cb -0.03 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2k2i h GLU 144 CO -0.03 -0.15 0.40 0.52 -1.00 0.00 0.00 179.01 178.74 2k2i h MET 145 N -0.24 0.77 0.21 2.33 2.86 -0.58 0.15 114.93 120.43 2k2i h MET 145 Ca 0.01 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k2i h MET 145 Cb 0.24 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2k2i h MET 145 CO -0.05 0.51 -0.23 0.82 1.06 0.00 0.00 176.91 179.02 2k2i h ILE 146 N 0.80 0.50 -0.49 -1.22 1.08 -0.45 -1.21 117.51 116.51 2k2i h ILE 146 Ca 0.25 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.66 2k2i h ILE 146 Cb -0.01 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2k2i h ILE 146 CO -0.09 0.00 0.05 -0.78 -0.69 0.00 0.00 178.15 176.64 2k2i h ASP 147 N -0.48 0.75 -0.24 1.72 3.58 -0.62 0.57 116.42 121.70 2k2i h ASP 147 Ca 0.00 -0.16 -0.17 0.00 0.42 0.00 0.00 57.03 57.13 2k2i h ASP 147 Cb 0.45 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k2i h ASP 147 CO -0.07 0.79 -0.50 -0.08 -2.88 0.00 0.00 179.24 176.50 2k2i h GLU 148 N 0.75 0.76 0.08 0.28 4.22 -0.69 -3.37 114.58 116.62 2k2i h GLU 148 Ca 0.15 -0.50 -0.00 0.00 0.08 0.00 0.00 59.36 59.09 2k2i h GLU 148 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k2i h GLU 148 CO 0.01 1.12 -0.04 0.00 -2.18 0.00 0.00 179.01 177.93 2k2i h ALA 149 N 0.63 -0.11 -1.41 2.92 0.00 -0.95 -3.43 119.26 116.91 2k2i h ALA 149 Ca 0.01 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 2k2i h ALA 149 Cb 1.11 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2k2i h ALA 149 CO 0.11 -0.19 1.08 0.34 0.00 0.00 0.00 179.25 180.59 2k2i s ASP 150 N -5.71 6.12 -0.11 0.00 2.15 0.17 -4.70 116.67 114.59 2k2i s ASP 150 Ca -0.14 -0.27 0.19 0.00 0.43 0.00 0.00 52.55 52.76 2k2i s ASP 150 Cb -0.00 -2.56 -0.25 0.00 -0.30 0.00 0.00 42.92 39.81 2k2i s ASP 150 CO 0.53 -1.83 0.32 0.54 -0.17 0.00 0.00 175.17 174.56 2k2i n ARG 151 N 9.20 0.67 0.02 4.34 5.12 -1.26 -4.21 116.66 130.54 2k2i n ARG 151 Ca 0.06 -0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.87 2k2i n ARG 151 Cb 0.49 -1.58 -0.14 0.00 -1.16 0.00 0.00 32.46 30.08 2k2i n ARG 151 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2k2i h ASP 152 N 0.00 0.11 -0.25 0.55 5.19 -1.99 -3.50 116.42 116.53 2k2i h ASP 152 Ca -0.34 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2k2i h ASP 152 Cb 1.82 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.29 2k2i h ASP 152 CO 0.03 1.15 0.00 0.61 -3.12 0.00 0.00 179.24 177.91 2k2i n GLY 153 N 1.55 0.67 0.11 2.75 0.00 -1.26 -5.06 105.19 103.95 2k2i n GLY 153 Ca -0.13 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N -0.07 1.92 0.00 1.61 -0.08 -1.26 -5.04 116.55 113.64 2k2i n ASP 154 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2k2i n ASP 154 Cb 0.02 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 42.66 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2i n GLY 155 N 1.39 3.46 3.87 0.27 0.00 -1.26 -5.07 105.19 107.85 2k2i n GLY 155 Ca -0.33 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2k2i n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 156 N 0.00 3.23 -0.55 1.61 2.02 -1.26 -4.77 118.70 118.98 2k2i s GLU 156 Ca 0.00 -0.55 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 2k2i s GLU 156 Cb 0.00 -2.91 0.05 0.00 0.10 0.00 0.00 34.13 31.37 2k2i s GLU 156 CO 0.00 0.58 0.84 0.08 0.02 0.00 0.00 175.26 176.78 2k2i s VAL 157 N -1.49 4.55 1.16 2.63 1.01 0.11 -4.74 120.40 123.62 2k2i s VAL 157 Ca 0.33 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 2k2i s VAL 157 Cb -0.12 -4.48 0.27 0.00 0.00 0.00 0.00 36.38 32.04 2k2i s VAL 157 CO 0.26 -1.06 1.10 -0.94 0.00 0.00 0.00 175.10 174.46 2k2i s SER 158 N 2.92 1.25 0.12 3.32 1.04 -1.26 0.44 113.70 121.53 2k2i s SER 158 Ca 0.24 0.79 -0.27 0.00 0.48 0.00 0.00 55.95 57.18 2k2i s SER 158 Cb -0.16 -1.15 -0.06 0.00 0.10 0.00 0.00 66.02 64.75 2k2i s SER 158 CO 0.15 -3.94 1.61 1.05 0.98 0.00 0.00 173.24 173.10 2k2i h GLU 159 N -2.45 -0.47 -0.39 4.02 -0.00 -1.96 0.27 114.58 113.60 2k2i h GLU 159 Ca -0.48 0.03 0.08 0.00 -0.00 0.00 0.00 59.36 58.99 2k2i h GLU 159 Cb 1.31 0.11 -0.08 0.00 -0.00 0.00 0.00 28.75 30.08 2k2i h GLU 159 CO 0.40 -0.31 -0.14 1.96 -0.00 0.00 0.00 179.01 180.92 2k2i h GLN 160 N -0.48 -0.06 -0.41 1.06 4.20 -1.95 0.24 115.11 117.70 2k2i h GLN 160 Ca 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2k2i h GLN 160 Cb 0.56 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2k2i h GLN 160 CO -0.26 -0.04 -0.14 0.93 -0.67 0.00 0.00 178.83 178.65 2k2i h GLU 161 N -0.06 0.74 -0.37 1.46 4.39 -1.80 0.29 114.58 119.24 2k2i h GLU 161 Ca 0.19 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2k2i h GLU 161 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2k2i h GLU 161 CO -0.44 0.85 0.05 0.35 -1.16 0.00 0.00 179.01 178.66 2k2i h PHE 162 N 0.67 0.66 -0.73 4.33 3.57 -0.24 0.16 116.94 125.37 2k2i h PHE 162 Ca 0.11 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k2i h PHE 162 Cb 0.62 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2k2i h PHE 162 CO 0.03 0.68 0.40 -0.07 -2.23 0.00 0.00 178.31 177.12 2k2i h LEU 163 N 0.45 0.91 -0.38 0.59 3.38 -0.26 -0.90 115.31 119.09 2k2i h LEU 163 Ca 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k2i h LEU 163 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k2i h LEU 163 CO 0.01 0.74 0.23 0.03 0.09 0.00 0.00 178.44 179.54 2k2i h ARG 164 N 1.00 0.52 -0.77 1.13 3.08 -0.24 0.33 114.38 119.43 2k2i h ARG 164 Ca 0.26 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 2k2i h ARG 164 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2k2i h ARG 164 CO -0.04 0.38 0.38 0.97 -1.07 0.00 0.00 179.97 180.59 2k2i h ILE 165 N 0.50 1.24 -0.19 2.04 -0.00 -0.51 -0.72 117.51 119.87 2k2i h ILE 165 Ca 0.14 -0.65 -0.15 0.00 -0.00 0.00 0.00 64.86 64.19 2k2i h ILE 165 Cb -0.00 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.08 2k2i h ILE 165 CO -0.03 0.28 -0.47 0.24 -0.00 0.00 0.00 178.15 178.18 2k2i h MET 166 N 1.07 0.66 0.00 2.19 2.86 -1.03 -3.20 114.93 117.48 2k2i h MET 166 Ca 0.27 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2k2i h MET 166 Cb 0.09 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2k2i h MET 166 CO -0.04 1.07 0.00 -0.22 1.06 0.00 0.00 176.91 178.78 2k2i h LYS 167 N 0.35 0.00 -0.86 1.72 1.63 -0.23 -3.15 116.57 116.02 2k2i h LYS 167 Ca -0.00 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.99 2k2i h LYS 167 Cb 1.08 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.55 2k2i h LYS 167 CO 0.10 0.00 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.79 2k2i h LYS 168 N 0.00 0.03 -3.98 1.90 3.64 -1.12 -2.86 116.57 114.19 2k2i h LYS 168 Ca 0.00 -0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 2k2i h LYS 168 Cb 0.47 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2k2i h LYS 168 CO 0.00 0.02 3.13 2.41 -2.27 0.00 0.00 179.45 182.74 2k2i n THR 169 N -5.48 3.47 1.01 1.00 -1.04 -1.19 -4.45 114.28 107.61 2k2i n THR 169 Ca 0.15 -3.02 0.12 0.00 -2.04 0.00 0.00 64.05 59.26 2k2i n THR 169 Cb 0.52 -2.61 0.26 0.00 -1.82 0.00 0.00 70.33 66.68 2k2i n THR 169 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k2i n SER 170 N 6.04 2.58 0.05 8.00 7.64 -1.08 -4.12 113.62 132.72 2k2i n SER 170 Ca 0.52 -1.85 0.11 0.00 1.01 0.00 0.00 58.87 58.66 2k2i n SER 170 Cb 0.39 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.45 2k2i n SER 170 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k2i n LEU 171 N 0.98 0.47 0.00 -3.43 -0.00 -1.26 -5.22 117.00 108.53 2k2i n LEU 171 Ca 0.16 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 2k2i n LEU 171 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2k2i n LEU 171 CO 0.15 -0.09 0.00 0.00 -0.00 0.00 0.00 177.39 177.45