#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 0.75 -0.53 1.43 7.50 -1.97 -3.39 115.11 118.89 2kkx h GLN 91 Ca 0.00 -0.67 0.11 0.00 0.50 0.00 0.00 58.65 58.59 2kkx h GLN 91 Cb 0.00 0.16 -0.10 0.00 0.05 0.00 0.00 27.48 27.59 2kkx h GLN 91 CO 0.00 1.27 -0.15 1.05 -1.50 0.00 0.00 178.83 179.50 2kkx h GLU 92 N 0.48 -0.02 -0.42 1.46 4.11 -2.00 0.20 114.58 118.39 2kkx h GLU 92 Ca -0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 2kkx h GLU 92 Cb 1.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2kkx h GLU 92 CO 0.17 -0.01 0.04 1.03 0.07 0.00 0.00 179.01 180.31 2kkx h SER 93 N -0.02 0.68 -0.28 3.06 0.87 -2.01 -2.88 113.55 112.97 2kkx h SER 93 Ca 0.26 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2kkx h SER 93 Cb 0.41 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2kkx h SER 93 CO -0.56 0.79 0.06 0.40 -0.53 0.00 0.00 176.83 176.99 2kkx h ILE 94 N 0.55 1.22 -0.31 2.23 2.04 -1.27 -1.30 117.51 120.67 2kkx h ILE 94 Ca 0.12 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.27 2kkx h ILE 94 Cb 0.41 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2kkx h ILE 94 CO 0.01 0.24 0.13 1.56 0.00 0.00 0.00 178.15 180.09 2kkx h GLN 95 N 0.28 0.27 -0.39 2.37 1.08 -1.02 0.93 115.11 118.63 2kkx h GLN 95 Ca 0.09 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2kkx h GLN 95 Cb 0.30 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2kkx h GLN 95 CO 0.00 0.18 -0.05 -0.91 -0.95 0.00 0.00 178.83 177.10 2kkx h ASN 96 N 0.28 0.63 -0.54 1.46 2.35 -1.43 -2.16 115.58 116.17 2kkx h ASN 96 Ca 0.13 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2kkx h ASN 96 Cb 0.08 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2kkx h ASN 96 CO -0.12 0.73 0.09 0.11 -1.65 0.00 0.00 177.43 176.60 2kkx h LYS 97 N 0.61 0.94 -0.60 0.81 6.56 -0.38 -1.80 116.57 122.70 2kkx h LYS 97 Ca 0.12 -0.23 -0.09 0.00 -1.06 0.00 0.00 60.65 59.39 2kkx h LYS 97 Cb 0.46 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 2kkx h LYS 97 CO 0.02 0.87 0.02 0.82 -2.06 0.00 0.00 179.45 179.13 2kkx h ILE 98 N 0.89 1.26 -0.35 1.86 2.04 -0.52 0.39 117.51 123.07 2kkx h ILE 98 Ca 0.18 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2kkx h ILE 98 Cb 0.39 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2kkx h ILE 98 CO 0.01 0.41 -0.03 -1.28 0.00 0.00 0.00 178.15 177.25 2kkx h SER 99 N 0.95 0.53 0.76 1.72 0.87 -1.18 -2.26 113.55 114.94 2kkx h SER 99 Ca 0.17 -0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 2kkx h SER 99 Cb 0.52 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 2kkx h SER 99 CO 0.03 0.63 -1.36 1.56 -0.53 0.00 0.00 176.83 177.15 2kkx h GLN 100 N 0.53 0.00 0.00 2.24 1.08 -0.86 -3.37 115.11 114.73 2kkx h GLN 100 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2kkx h GLN 100 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2kkx h GLN 100 CO 0.02 0.49 -0.78 0.00 -0.95 0.00 0.00 178.83 177.61 2kkx s LYS 102 N -3.07 1.32 0.09 0.00 -2.85 -0.85 -4.20 119.74 110.19 2kkx s LYS 102 Ca 0.08 0.45 -0.21 0.00 -1.00 0.00 0.00 55.97 55.29 2kkx s LYS 102 Cb 0.16 -1.85 0.05 0.00 -2.06 0.00 0.00 37.83 34.14 2kkx s LYS 102 CO 0.77 -2.11 0.52 -0.59 0.10 0.00 0.00 175.35 174.04 2kkx s PHE 103 N -3.18 -0.41 -0.64 1.78 -0.71 -0.55 -4.94 117.98 109.33 2kkx s PHE 103 Ca 0.63 0.32 -0.26 0.00 -1.04 0.00 0.00 56.93 56.57 2kkx s PHE 103 Cb -0.15 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 2kkx s PHE 103 CO 0.54 -0.71 1.93 -1.54 -1.34 0.00 0.00 175.22 174.10 2kkx s SER 104 N -2.36 5.16 -0.65 1.98 1.04 -1.26 -1.62 113.70 115.98 2kkx s SER 104 Ca -0.02 0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.42 2kkx s SER 104 Cb -0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2kkx s SER 104 CO -0.07 -2.49 1.72 -0.69 0.98 0.00 0.00 173.24 172.69 2kkx s VAL 105 N 9.57 3.45 -0.38 5.02 1.01 -0.29 -4.93 120.40 133.85 2kkx s VAL 105 Ca 0.71 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2kkx s VAL 105 Cb -0.12 -4.19 0.08 0.00 0.00 0.00 0.00 36.38 32.15 2kkx s VAL 105 CO 0.18 -1.15 0.16 0.00 0.00 0.00 0.00 175.10 174.29 2kkx h PRO 107 N 8.16 0.00 -0.04 0.00 0.13 -1.93 -0.54 132.00 137.78 2kkx h PRO 107 Ca -0.19 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.71 2kkx h PRO 107 Cb 1.06 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.20 2kkx h PRO 107 CO 0.67 0.00 -0.90 1.05 -0.23 0.00 0.00 178.00 178.58 2kkx h GLU 108 N 0.00 0.54 0.21 0.86 4.11 -1.94 -2.29 114.58 116.07 2kkx h GLU 108 Ca 0.22 -0.53 -0.35 0.00 0.07 0.00 0.00 59.36 58.77 2kkx h GLU 108 Cb 1.13 0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.54 2kkx h GLU 108 CO -0.00 1.16 -1.67 0.00 0.07 0.00 0.00 179.01 178.57 2kkx h ARG 109 N 0.33 0.44 0.00 1.06 3.08 -1.70 -3.28 114.38 114.31 2kkx h ARG 109 Ca -0.08 -0.76 -0.01 0.00 0.07 0.00 0.00 59.98 59.20 2kkx h ARG 109 Cb 1.53 0.28 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 2kkx h ARG 109 CO 0.17 1.36 -0.05 -0.07 -1.07 0.00 0.00 179.97 180.31 2kkx h LEU 110 N 0.12 0.00 0.44 3.04 3.38 -1.25 -3.47 115.31 117.57 2kkx h LEU 110 Ca -0.32 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.25 2kkx h LEU 110 Cb 2.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.85 2kkx h LEU 110 CO 0.21 0.05 -0.61 0.00 0.09 0.00 0.00 178.44 178.18 2kkx n GLN 111 N -3.16 -4.34 -5.00 1.13 1.13 -0.87 -5.01 117.38 101.26 2kkx n GLN 111 Ca 0.01 0.65 -0.32 0.00 -1.94 0.00 0.00 57.00 55.40 2kkx n GLN 111 Cb 0.34 -5.45 -0.14 0.00 0.11 0.00 0.00 30.24 25.11 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx s PRO 113 N -0.77 1.75 0.21 0.00 0.04 -1.26 -4.73 135.00 130.24 2kkx s PRO 113 Ca 0.11 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 2kkx s PRO 113 Cb -0.10 -1.81 0.28 0.00 0.04 0.00 0.00 34.50 32.91 2kkx s PRO 113 CO 0.01 -2.09 1.71 -0.07 0.04 0.00 0.00 177.00 176.60 2kkx h LEU 114 N -1.00 0.05 -1.16 -3.56 3.38 -1.96 -1.21 115.31 109.85 2kkx h LEU 114 Ca -0.45 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2kkx h LEU 114 Cb 1.27 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2kkx h LEU 114 CO 0.47 0.04 -0.36 1.05 0.09 0.00 0.00 178.44 179.72 2kkx h GLU 115 N 0.29 0.10 0.00 1.13 9.09 -1.96 0.24 114.58 123.47 2kkx h GLU 115 Ca 0.31 -0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.63 2kkx h GLU 115 Cb 0.44 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 2kkx h GLU 115 CO -0.37 0.45 -0.22 0.00 0.05 0.00 0.00 179.01 178.92 2kkx h ALA 116 N 1.55 1.35 -0.03 1.06 0.00 -1.58 -2.77 119.26 118.84 2kkx h ALA 116 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kkx h ALA 116 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2kkx h ALA 116 CO 0.05 0.27 0.00 0.44 0.00 0.00 0.00 179.25 180.01 2kkx n ILE 117 N -3.86 1.67 -1.89 0.00 -5.35 -1.02 -4.87 119.36 104.04 2kkx n ILE 117 Ca -0.02 -1.89 -0.42 0.00 -0.27 0.00 0.00 62.75 60.15 2kkx n ILE 117 Cb 0.31 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.14 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -2.36 4.20 -0.33 6.28 0.74 0.04 -4.31 119.66 123.92 2kkx s GLN 118 Ca 0.25 2.41 -0.28 0.00 0.05 0.00 0.00 55.36 57.78 2kkx s GLN 118 Cb 0.21 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 31.16 2kkx s GLN 118 CO 0.03 -0.64 1.81 0.00 -0.55 0.00 0.00 175.29 175.95 2kkx n PRO 120 N 8.44 0.91 -0.07 0.00 -0.04 -1.26 -0.61 135.00 142.37 2kkx n PRO 120 Ca 0.23 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2kkx n PRO 120 Cb 0.47 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 0.90 0.00 0.52 2.04 -1.92 -3.41 117.51 115.64 2kkx h ILE 121 Ca 0.00 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2kkx h ILE 121 Cb 0.00 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2kkx h ILE 121 CO 0.00 0.31 -0.84 0.35 0.00 0.00 0.00 178.15 177.96 2kkx n THR 122 N -4.62 0.01 -3.55 -0.27 -2.24 -1.09 -4.98 114.28 97.54 2kkx n THR 122 Ca -0.12 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 2kkx n THR 122 Cb 0.37 0.70 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N -1.53 -3.08 -3.77 3.22 7.99 0.21 -5.00 117.00 115.05 2kkx n LEU 123 Ca 0.04 -0.54 -0.09 0.00 -0.01 0.00 0.00 56.01 55.41 2kkx n LEU 123 Cb 0.34 -2.92 -0.06 0.00 -0.11 0.00 0.00 43.42 40.67 2kkx n LEU 123 CO 0.40 0.54 0.00 -1.83 -1.51 0.00 0.00 177.39 175.00 2kkx s GLU 124 N -6.26 0.93 -0.13 3.23 -1.05 -1.19 -4.99 118.70 109.23 2kkx s GLU 124 Ca 0.55 -0.85 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 2kkx s GLU 124 Cb -0.25 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2kkx s GLU 124 CO 0.68 -0.32 1.28 -1.14 0.95 0.00 0.00 175.26 176.71 2kkx s GLN 125 N -3.80 4.25 0.66 -4.83 -0.44 -1.26 -0.86 119.66 113.38 2kkx s GLN 125 Ca 0.04 1.71 -0.12 0.00 -2.50 0.00 0.00 55.36 54.49 2kkx s GLN 125 Cb 0.04 -3.73 -0.01 0.00 -1.64 0.00 0.00 33.01 27.66 2kkx s GLN 125 CO -0.11 -0.66 1.05 -1.25 0.50 0.00 0.00 175.29 174.82 2kkx s PRO 126 N 3.24 3.19 0.05 1.67 0.04 -1.26 -4.91 135.00 137.02 2kkx s PRO 126 Ca 0.56 0.93 0.16 0.00 0.04 0.00 0.00 61.00 62.70 2kkx s PRO 126 Cb -0.23 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 2kkx s PRO 126 CO 0.17 -0.90 0.81 -0.85 0.04 0.00 0.00 177.00 176.28 2kkx n GLU 127 N -2.84 0.62 -3.79 4.56 0.28 -1.26 -4.58 120.64 113.63 2kkx n GLU 127 Ca 0.07 0.23 -0.13 0.00 -0.16 0.00 0.00 57.16 57.17 2kkx n GLU 127 Cb 0.54 -1.81 -0.11 0.00 1.43 0.00 0.00 31.44 31.48 2kkx n GLU 127 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2kkx s LYS 128 N -2.90 0.31 -0.00 3.44 -2.85 -1.26 -1.14 119.74 115.34 2kkx s LYS 128 Ca -0.03 0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.98 2kkx s LYS 128 Cb 0.09 0.15 0.10 0.00 -2.06 0.00 0.00 37.83 36.10 2kkx s LYS 128 CO 0.81 -0.04 0.86 0.20 0.10 0.00 0.00 175.35 177.28 2kkx s GLY 129 N 0.08 -0.47 0.18 0.59 0.00 -0.64 -1.68 107.32 105.38 2kkx s GLY 129 Ca -0.01 1.07 0.07 0.00 0.00 0.00 0.00 44.72 45.85 2kkx s GLY 129 CO 0.00 0.41 0.00 -0.26 0.00 0.00 0.00 173.10 173.26 2kkx s ILE 130 N -2.92 3.72 -0.14 0.90 -4.36 0.36 -1.48 121.20 117.27 2kkx s ILE 130 Ca 0.03 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 58.80 2kkx s ILE 130 Cb -0.01 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2kkx s ILE 130 CO -0.08 -0.13 0.43 -0.36 0.24 0.00 0.00 174.94 175.04 2kkx s PHE 131 N -1.78 3.47 -0.12 1.37 0.08 -1.22 -1.05 117.98 118.74 2kkx s PHE 131 Ca 0.28 0.78 0.01 0.00 0.12 0.00 0.00 56.93 58.12 2kkx s PHE 131 Cb -0.09 -2.51 0.02 0.00 -0.57 0.00 0.00 43.02 39.86 2kkx s PHE 131 CO 0.19 0.14 -0.15 0.08 -0.10 0.00 0.00 175.22 175.38 2kkx s VAL 132 N 0.75 1.54 -0.42 -0.44 1.01 -0.41 -0.96 120.40 121.48 2kkx s VAL 132 Ca 0.23 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2kkx s VAL 132 Cb -0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2kkx s VAL 132 CO 0.08 0.45 2.05 -1.59 0.00 0.00 0.00 175.10 176.09 2kkx s LYS 133 N 1.08 2.81 -1.15 2.72 -2.85 -0.02 -1.73 119.74 120.60 2kkx s LYS 133 Ca -0.04 1.34 -0.22 0.00 -1.00 0.00 0.00 55.97 56.05 2kkx s LYS 133 Cb -0.14 -4.38 -0.08 0.00 -2.06 0.00 0.00 37.83 31.17 2kkx s LYS 133 CO -0.03 -2.48 1.91 -1.71 0.10 0.00 0.00 175.35 173.14 2kkx n ASN 134 N 12.59 3.25 -0.13 0.03 2.85 0.10 -4.76 115.26 129.20 2kkx n ASN 134 Ca 0.27 -2.73 -0.05 0.00 -0.11 0.00 0.00 54.58 51.96 2kkx n ASN 134 Cb 0.50 -1.66 0.13 0.00 1.24 0.00 0.00 39.78 39.99 2kkx n ASN 134 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2kkx h SER 135 N 9.13 0.82 -0.78 1.20 0.87 -1.87 -2.30 113.55 120.62 2kkx h SER 135 Ca 0.28 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 2kkx h SER 135 Cb 0.89 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 2kkx h SER 135 CO 1.36 0.88 0.51 -0.78 -0.53 0.00 0.00 176.83 178.27 2kkx h ASP 136 N 0.79 0.66 0.19 6.23 3.58 -1.96 -2.80 116.42 123.10 2kkx h ASP 136 Ca 0.15 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2kkx h ASP 136 Cb 0.48 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2kkx h ASP 136 CO 0.02 0.40 -0.09 1.23 -2.88 0.00 0.00 179.24 177.93 2kkx h GLY 137 N 0.74 -0.26 -1.73 -0.78 0.00 -1.94 -3.46 103.07 95.65 2kkx h GLY 137 Ca 0.35 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 2kkx h GLY 137 CO -0.13 -0.09 -0.15 -1.26 0.00 0.00 0.00 176.54 174.90 2kkx n SER 138 N -4.00 -0.54 -1.56 0.19 2.88 -1.20 -4.98 113.62 104.42 2kkx n SER 138 Ca -0.03 -1.09 -0.16 0.00 -1.33 0.00 0.00 58.87 56.26 2kkx n SER 138 Cb 0.10 0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 2kkx n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kkx n ASP 139 N -0.07 -4.76 -4.81 -3.46 2.03 -0.91 -4.98 116.55 99.60 2kkx n ASP 139 Ca -0.14 0.14 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2kkx n ASP 139 Cb 0.50 -3.79 -0.06 0.00 -0.72 0.00 0.00 41.12 37.05 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkx s VAL 140 N -2.70 4.56 -0.20 5.18 1.01 -0.96 -4.35 120.40 122.93 2kkx s VAL 140 Ca 0.00 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2kkx s VAL 140 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2kkx s VAL 140 CO 0.00 0.35 0.79 0.00 0.00 0.00 0.00 175.10 176.25 2kkx s THR 142 N 2.31 2.37 -0.36 0.00 2.01 -0.70 -4.76 115.64 116.50 2kkx s THR 142 Ca 0.35 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 61.20 2kkx s THR 142 Cb -0.16 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.47 2kkx s THR 142 CO 0.11 0.57 0.55 -0.22 -0.69 0.00 0.00 174.62 174.94 2kkx s LEU 143 N -0.38 4.35 0.10 4.42 2.96 -1.26 -1.28 118.68 127.58 2kkx s LEU 143 Ca 0.03 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2kkx s LEU 143 Cb -0.12 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2kkx s LEU 143 CO 0.02 -0.53 0.04 -0.36 -1.32 0.00 0.00 176.35 174.20 2kkx s PHE 144 N 2.49 3.07 0.28 5.38 0.40 -0.21 -3.87 117.98 125.51 2kkx s PHE 144 Ca 0.20 0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.25 2kkx s PHE 144 Cb -0.15 -1.56 -0.10 0.00 0.51 0.00 0.00 43.02 41.72 2kkx s PHE 144 CO 0.14 0.50 1.30 0.34 0.70 0.00 0.00 175.22 178.20 2kkx s ASP 145 N -2.46 6.85 0.14 1.36 -1.08 -1.26 -0.49 116.67 119.73 2kkx s ASP 145 Ca 0.28 2.56 -0.18 0.00 -0.52 0.00 0.00 52.55 54.69 2kkx s ASP 145 Cb -0.12 -2.63 -0.01 0.00 -1.46 0.00 0.00 42.92 38.70 2kkx s ASP 145 CO 0.20 -0.51 1.79 0.00 0.52 0.00 0.00 175.17 177.17 2kkx h ALA 146 N 4.21 0.38 -0.11 3.66 0.00 -1.62 -1.56 119.26 124.21 2kkx h ALA 146 Ca -0.47 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 2kkx h ALA 146 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kkx h ALA 146 CO 0.71 -0.19 -0.75 0.00 0.00 0.00 0.00 179.25 179.02 2kkx h ALA 147 N 1.13 0.49 -0.07 0.00 0.00 -1.93 -2.54 119.26 116.34 2kkx h ALA 147 Ca 0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2kkx h ALA 147 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kkx h ALA 147 CO -0.05 0.73 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 2kkx h ALA 148 N 0.79 0.10 -0.48 0.00 0.00 -1.92 -2.13 119.26 115.62 2kkx h ALA 148 Ca -0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2kkx h ALA 148 Cb 1.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2kkx h ALA 148 CO 0.14 -0.05 -0.14 0.35 0.00 0.00 0.00 179.25 179.55 2kkx h PHE 149 N -0.29 1.05 -0.59 0.00 3.57 -1.38 -2.16 116.94 117.15 2kkx h PHE 149 Ca 0.01 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 2kkx h PHE 149 Cb 0.65 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2kkx h PHE 149 CO 0.10 1.02 0.24 1.03 -2.23 0.00 0.00 178.31 178.48 2kkx h SER 150 N 0.78 0.77 -0.09 0.41 0.87 -1.51 -2.06 113.55 112.73 2kkx h SER 150 Ca 0.12 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2kkx h SER 150 Cb 0.70 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kkx h SER 150 CO 0.05 0.69 0.03 -0.09 -0.53 0.00 0.00 176.83 176.98 2kkx h ARG 151 N 0.84 0.14 -0.54 2.24 2.43 -1.16 -1.73 114.38 116.60 2kkx h ARG 151 Ca 0.20 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2kkx h ARG 151 Cb 0.15 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 2kkx h ARG 151 CO -0.02 0.26 0.15 -0.07 -1.51 0.00 0.00 179.97 178.79 2kkx h LEU 152 N -0.02 0.09 -0.22 3.80 3.38 -0.91 0.42 115.31 121.86 2kkx h LEU 152 Ca 0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2kkx h LEU 152 Cb 0.18 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2kkx h LEU 152 CO -0.00 0.07 0.10 0.58 0.09 0.00 0.00 178.44 179.29 2kkx h VAL 153 N 0.31 1.14 0.00 1.22 2.07 -1.38 -0.50 116.25 119.10 2kkx h VAL 153 Ca 0.27 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2kkx h VAL 153 Cb 0.35 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2kkx h VAL 153 CO -0.31 0.14 -0.19 1.23 0.02 0.00 0.00 177.57 178.45 2kkx h GLY 154 N 0.22 0.00 2.00 2.17 0.00 -0.42 -0.47 103.07 106.58 2kkx h GLY 154 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2kkx h GLY 154 CO -0.01 0.00 -0.35 0.83 0.00 0.00 0.00 176.54 177.01 2kkx h GLU 155 N 0.00 0.00 0.00 4.80 4.39 -0.79 -3.47 114.58 119.51 2kkx h GLU 155 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kkx h GLU 155 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2kkx h GLU 155 CO 0.02 0.35 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 2kkx n GLY 156 N 0.33 0.86 3.80 -3.84 0.00 -0.18 -5.09 105.19 101.07 2kkx n GLY 156 Ca 0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N 0.00 4.26 0.00 0.99 1.43 -0.22 -5.01 118.68 120.13 2kkx s LEU 157 Ca 0.00 1.68 -0.18 0.00 -1.03 0.00 0.00 54.13 54.60 2kkx s LEU 157 Cb 0.00 -4.00 0.25 0.00 0.03 0.00 0.00 46.19 42.47 2kkx s LEU 157 CO 0.00 -0.10 1.18 -0.81 0.23 0.00 0.00 176.35 176.86 2kkx n PRO 158 N 0.36 -2.09 -1.67 1.29 -0.04 -1.26 -4.28 135.00 127.30 2kkx n PRO 158 Ca 0.02 -1.85 -0.46 0.00 -0.04 0.00 0.00 63.50 61.17 2kkx n PRO 158 Cb 0.51 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2kkx n PRO 158 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2kkx n HIS 159 N -4.24 2.23 0.27 0.54 -0.00 -0.47 -4.83 115.22 108.72 2kkx n HIS 159 Ca 0.15 0.34 0.12 0.00 -0.00 0.00 0.00 57.72 58.34 2kkx n HIS 159 Cb 0.56 -2.51 0.78 0.00 -0.00 0.00 0.00 29.99 28.82 2kkx n HIS 159 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kkx h PRO 160 N 5.24 0.00 0.00 1.57 0.13 -1.93 -0.00 132.00 137.00 2kkx h PRO 160 Ca -0.45 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.37 2kkx h PRO 160 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2kkx h PRO 160 CO 0.84 0.06 -1.91 1.28 -0.23 0.00 0.00 178.00 178.03 2kkx n LEU 161 N -3.93 1.93 -0.01 1.56 4.77 -1.26 -4.74 117.00 115.32 2kkx n LEU 161 Ca -0.03 0.37 0.01 0.00 -0.03 0.00 0.00 56.01 56.33 2kkx n LEU 161 Cb 0.15 -0.83 -0.12 0.00 -2.33 0.00 0.00 43.42 40.28 2kkx n LEU 161 CO 0.30 0.30 -0.63 0.35 -1.33 0.00 0.00 177.39 176.38 2kkx n THR 162 N -4.34 0.89 -1.67 -5.08 -2.24 -1.23 -4.97 114.28 95.64 2kkx n THR 162 Ca -0.40 -0.68 -0.17 0.00 -2.27 0.00 0.00 64.05 60.53 2kkx n THR 162 Cb 0.74 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kkx n ARG 163 N -2.67 -1.20 -2.53 -0.78 5.12 -0.02 -4.96 116.66 109.61 2kkx n ARG 163 Ca -0.14 1.03 -0.34 0.00 -1.93 0.00 0.00 57.85 56.47 2kkx n ARG 163 Cb 0.83 -5.29 -0.03 0.00 -1.16 0.00 0.00 32.46 26.81 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -3.74 3.80 -0.24 5.56 0.41 -1.26 -4.50 118.70 118.73 2kkx s GLU 164 Ca 0.00 1.39 -0.28 0.00 -0.41 0.00 0.00 54.97 55.66 2kkx s GLU 164 Cb 0.00 -2.12 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 2kkx s GLU 164 CO 0.00 -0.43 1.97 -1.25 -0.49 0.00 0.00 175.26 175.06 2kkx s PRO 165 N -3.18 3.35 0.29 0.39 0.04 -1.26 -1.37 135.00 133.26 2kkx s PRO 165 Ca 0.67 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2kkx s PRO 165 Cb -0.17 -4.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.00 2kkx s PRO 165 CO 0.21 -1.85 1.57 0.42 0.04 0.00 0.00 177.00 177.39 2kkx s ILE 166 N 7.16 2.13 0.14 0.56 1.01 -1.26 -4.95 121.20 126.00 2kkx s ILE 166 Ca 0.89 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 2kkx s ILE 166 Cb -0.29 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2kkx s ILE 166 CO 0.34 0.02 0.30 0.28 0.00 0.00 0.00 174.94 175.89 2kkx s THR 167 N -0.06 0.08 0.41 2.92 -1.32 -1.26 -5.02 115.64 111.39 2kkx s THR 167 Ca 0.62 -1.15 0.30 0.00 -1.21 0.00 0.00 61.69 60.24 2kkx s THR 167 Cb -0.47 -1.59 0.32 0.00 -1.51 0.00 0.00 72.50 69.25 2kkx s THR 167 CO 0.48 -0.37 2.10 0.00 -2.21 0.00 0.00 174.62 174.62 2kkx h ALA 168 N 2.53 1.24 0.00 11.08 0.00 -1.92 -2.96 119.26 129.23 2kkx h ALA 168 Ca -0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2kkx h ALA 168 Cb 1.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kkx h ALA 168 CO 0.49 0.12 -0.31 0.77 0.00 0.00 0.00 179.25 180.32 2kkx h SER 169 N 0.00 0.00 0.00 0.00 0.02 -1.98 -3.14 113.55 108.44 2kkx h SER 169 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kkx h SER 169 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2kkx h SER 169 CO 0.01 0.31 -1.13 2.30 -1.14 0.00 0.00 176.83 177.18 2kkx n ILE 170 N -3.62 0.00 -3.49 3.27 -5.35 -1.12 -4.93 119.36 104.11 2kkx n ILE 170 Ca -0.01 -0.09 -0.37 0.00 -0.27 0.00 0.00 62.75 62.00 2kkx n ILE 170 Cb 0.43 0.84 -0.06 0.00 -1.74 0.00 0.00 39.64 39.11 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -3.02 5.20 0.29 7.28 2.07 -1.19 -0.84 121.20 130.99 2kkx s ILE 171 Ca 0.05 0.72 0.02 0.00 -1.41 0.00 0.00 60.65 60.04 2kkx s ILE 171 Cb 0.15 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 39.01 2kkx s ILE 171 CO 0.85 0.45 0.12 0.68 -1.91 0.00 0.00 174.94 175.12 2kkx s VAL 172 N -0.11 0.55 0.36 4.00 -7.23 -0.13 -4.95 120.40 112.90 2kkx s VAL 172 Ca 0.21 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2kkx s VAL 172 Cb -0.15 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2kkx s VAL 172 CO 0.09 0.00 0.40 -0.54 -0.31 0.00 0.00 175.10 174.73 2kkx s LYS 173 N -3.92 2.80 0.44 4.82 1.02 -1.26 -3.38 119.74 120.26 2kkx s LYS 173 Ca 0.36 -1.26 0.30 0.00 0.02 0.00 0.00 55.97 55.38 2kkx s LYS 173 Cb 0.07 -2.59 1.16 0.00 -0.52 0.00 0.00 37.83 35.95 2kkx s LYS 173 CO 0.15 -0.03 1.87 1.12 -0.92 0.00 0.00 175.35 177.54 2kkx h HIS 174 N 1.02 0.00 0.00 3.18 2.07 -1.87 -1.94 115.15 117.61 2kkx h HIS 174 Ca -0.44 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.02 2kkx h HIS 174 Cb 1.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.23 2kkx h HIS 174 CO 0.48 0.00 -1.06 0.93 -3.07 0.00 0.00 177.93 175.21 2kkx h GLU 175 N 0.00 0.00 -0.00 5.12 3.07 -1.96 -3.36 114.58 117.45 2kkx h GLU 175 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.61 2kkx h GLU 175 Cb 0.51 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2kkx h GLU 175 CO 0.00 0.11 -1.01 1.49 -1.40 0.00 0.00 179.01 178.21 2kkx h GLU 176 N 0.00 0.60 -5.98 2.33 4.57 -1.77 -3.44 114.58 110.90 2kkx h GLU 176 Ca -0.05 -0.65 -0.61 0.00 -1.18 0.00 0.00 59.36 56.86 2kkx h GLU 176 Cb 1.21 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.93 2kkx h GLU 176 CO 0.02 1.25 -0.25 0.00 -1.18 0.00 0.00 179.01 178.85 2kkx s ILE 178 N -1.13 0.50 0.12 0.00 -0.00 -0.52 -4.80 121.20 115.37 2kkx s ILE 178 Ca 0.24 -1.30 -0.31 0.00 -0.00 0.00 0.00 60.65 59.28 2kkx s ILE 178 Cb -0.16 -0.87 -0.09 0.00 -0.00 0.00 0.00 42.46 41.35 2kkx s ILE 178 CO 0.13 -0.55 1.52 -0.72 -0.00 0.00 0.00 174.94 175.32 2kkx s TYR 179 N -2.06 2.98 -0.12 1.37 1.13 -1.26 -1.38 117.35 118.02 2kkx s TYR 179 Ca -0.05 0.67 -0.03 0.00 -1.41 0.00 0.00 57.07 56.26 2kkx s TYR 179 Cb -0.05 -3.85 -0.03 0.00 -1.10 0.00 0.00 41.96 36.93 2kkx s TYR 179 CO -0.02 -3.15 -0.02 0.34 -2.51 0.00 0.00 175.55 170.20 2kkx s ASP 180 N 1.41 5.01 -0.09 -0.18 -1.08 -0.47 -4.90 116.67 116.37 2kkx s ASP 180 Ca 0.69 0.01 -0.27 0.00 -0.52 0.00 0.00 52.55 52.45 2kkx s ASP 180 Cb -0.40 -1.58 -0.24 0.00 -1.46 0.00 0.00 42.92 39.23 2kkx s ASP 180 CO 0.31 0.28 0.96 -0.78 0.52 0.00 0.00 175.17 176.46 2kkx h ASP 181 N 5.89 0.05 1.14 -0.34 3.58 -1.95 0.87 116.42 125.65 2kkx h ASP 181 Ca -0.42 -0.81 -0.05 0.00 0.42 0.00 0.00 57.03 56.17 2kkx h ASP 181 Cb 1.19 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2kkx h ASP 181 CO 0.59 0.85 -0.24 0.00 -2.88 0.00 0.00 179.24 177.56 2kkx h THR 182 N -0.75 0.51 0.06 2.25 1.03 -1.96 -2.53 112.91 111.53 2kkx h THR 182 Ca -0.01 -1.26 -0.27 0.00 -0.01 0.00 0.00 66.41 64.86 2kkx h THR 182 Cb 0.86 1.89 -0.02 0.00 -1.07 0.00 0.00 68.15 69.81 2kkx h THR 182 CO 0.01 0.23 -1.38 0.03 -0.01 0.00 0.00 175.52 174.40 2kkx h ARG 183 N 0.00 0.14 -0.15 0.00 2.47 -2.00 -3.49 114.38 111.35 2kkx h ARG 183 Ca -0.00 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 2kkx h ARG 183 Cb 0.87 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.27 2kkx h ARG 183 CO 0.03 0.98 -0.03 0.41 0.56 0.00 0.00 179.97 181.92 2kkx n GLY 184 N 1.54 0.38 3.59 0.04 0.00 0.24 -5.03 105.19 105.95 2kkx n GLY 184 Ca -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2kkx n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kkx s ASN 185 N -2.96 -0.21 0.06 1.61 3.84 -0.83 -4.96 114.94 111.50 2kkx s ASN 185 Ca 0.00 -0.08 -0.30 0.00 0.21 0.00 0.00 52.86 52.69 2kkx s ASN 185 Cb 0.00 0.28 -0.09 0.00 -0.55 0.00 0.00 41.25 40.88 2kkx s ASN 185 CO 0.00 -0.47 1.94 -0.36 -2.79 0.00 0.00 177.10 175.43 2kkx s PHE 186 N -2.78 1.46 0.40 0.43 0.40 -1.26 -1.36 117.98 115.27 2kkx s PHE 186 Ca 0.09 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 2kkx s PHE 186 Cb -0.00 -4.24 -0.04 0.00 0.51 0.00 0.00 43.02 39.25 2kkx s PHE 186 CO -0.05 -5.45 0.07 0.96 0.70 0.00 0.00 175.22 171.45 2kkx s ILE 187 N 4.08 1.00 0.56 0.64 -4.36 -0.48 -1.50 121.20 121.14 2kkx s ILE 187 Ca 0.87 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 59.07 2kkx s ILE 187 Cb -0.44 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 2kkx s ILE 187 CO 0.41 0.00 1.11 -0.63 0.24 0.00 0.00 174.94 176.06 2kkx s ILE 188 N -3.14 3.30 0.55 8.37 -1.09 -1.26 -1.44 121.20 126.49 2kkx s ILE 188 Ca 0.25 0.77 -0.20 0.00 -2.23 0.00 0.00 60.65 59.23 2kkx s ILE 188 Cb 0.05 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 2kkx s ILE 188 CO 0.13 -0.22 1.23 -0.54 -1.23 0.00 0.00 174.94 174.31 2kkx s LYS 189 N -3.45 3.22 -0.03 2.79 1.02 -0.64 -4.83 119.74 117.81 2kkx s LYS 189 Ca 0.71 1.90 0.05 0.00 0.02 0.00 0.00 55.97 58.64 2kkx s LYS 189 Cb -0.22 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.90 2kkx s LYS 189 CO 0.29 -1.03 0.06 0.41 -0.92 0.00 0.00 175.35 174.16 2kkx n GLY 190 N 0.53 -0.26 0.00 -3.33 0.00 -1.26 -5.09 105.19 95.78 2kkx n GLY 190 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31