#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 0.20 -0.62 4.33 7.50 -1.95 -2.94 115.11 121.63 2kkx h GLN 91 Ca 0.00 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.21 2kkx h GLN 91 Cb 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 27.48 27.43 2kkx h GLN 91 CO 0.00 0.13 0.31 1.05 -1.50 0.00 0.00 178.83 178.82 2kkx h GLU 92 N 0.21 0.55 -0.36 1.46 9.09 -2.00 0.08 114.58 123.60 2kkx h GLU 92 Ca 0.25 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.56 2kkx h GLU 92 Cb 0.35 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 2kkx h GLU 92 CO -0.35 0.36 -0.06 1.03 0.05 0.00 0.00 179.01 180.04 2kkx h SER 93 N 0.56 0.68 -0.40 3.06 0.87 -1.98 -2.82 113.55 113.52 2kkx h SER 93 Ca 0.29 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2kkx h SER 93 Cb 0.25 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2kkx h SER 93 CO -0.22 0.87 0.12 0.40 -0.53 0.00 0.00 176.83 177.47 2kkx h ILE 94 N 0.49 1.22 -0.63 2.23 2.04 -1.10 -1.17 117.51 120.58 2kkx h ILE 94 Ca 0.10 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2kkx h ILE 94 Cb 0.55 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2kkx h ILE 94 CO 0.03 0.26 0.39 1.56 0.00 0.00 0.00 178.15 180.39 2kkx h GLN 95 N 0.51 0.74 -0.64 2.37 1.08 -1.01 0.15 115.11 118.32 2kkx h GLN 95 Ca 0.13 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2kkx h GLN 95 Cb 0.28 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2kkx h GLN 95 CO -0.00 0.49 0.29 -0.91 -0.95 0.00 0.00 178.83 177.75 2kkx h ASN 96 N 0.77 0.84 -0.26 1.46 2.35 -1.33 -2.73 115.58 116.68 2kkx h ASN 96 Ca 0.25 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2kkx h ASN 96 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2kkx h ASN 96 CO -0.10 0.75 -0.05 0.11 -1.65 0.00 0.00 177.43 176.49 2kkx h LYS 97 N 0.88 0.62 -0.57 0.81 6.56 -0.16 -1.17 116.57 123.54 2kkx h LYS 97 Ca 0.22 -0.16 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 2kkx h LYS 97 Cb 0.14 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 2kkx h LYS 97 CO -0.03 0.68 0.07 0.82 -2.06 0.00 0.00 179.45 178.93 2kkx h ILE 98 N 0.58 1.26 -0.73 1.86 2.04 -0.62 0.21 117.51 122.11 2kkx h ILE 98 Ca 0.11 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 2kkx h ILE 98 Cb 0.44 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 2kkx h ILE 98 CO 0.02 0.37 0.21 -1.28 0.00 0.00 0.00 178.15 177.47 2kkx h SER 99 N 0.86 1.08 1.14 1.72 0.87 -1.16 -1.83 113.55 116.22 2kkx h SER 99 Ca 0.17 -0.22 -0.18 0.00 -1.23 0.00 0.00 61.79 60.33 2kkx h SER 99 Cb 0.45 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 2kkx h SER 99 CO 0.02 1.01 -0.87 1.56 -0.53 0.00 0.00 176.83 178.02 2kkx h GLN 100 N 1.09 0.00 0.00 2.24 1.08 -0.92 -3.34 115.11 115.25 2kkx h GLN 100 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2kkx h GLN 100 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2kkx h GLN 100 CO -0.00 0.83 -1.49 0.00 -0.95 0.00 0.00 178.83 177.21 2kkx s LYS 102 N -3.38 0.79 0.10 0.00 -2.85 -0.69 -4.14 119.74 109.58 2kkx s LYS 102 Ca -0.03 0.46 -0.20 0.00 -1.00 0.00 0.00 55.97 55.21 2kkx s LYS 102 Cb 0.13 -1.78 0.05 0.00 -2.06 0.00 0.00 37.83 34.17 2kkx s LYS 102 CO 0.86 -2.47 0.48 -0.59 0.10 0.00 0.00 175.35 173.73 2kkx s PHE 103 N -3.08 -0.35 -0.69 1.78 -0.71 -0.70 -4.94 117.98 109.29 2kkx s PHE 103 Ca 0.64 0.18 -0.26 0.00 -1.04 0.00 0.00 56.93 56.46 2kkx s PHE 103 Cb -0.17 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2kkx s PHE 103 CO 0.56 -0.71 1.98 -1.12 -1.34 0.00 0.00 175.22 174.60 2kkx s SER 104 N -2.48 5.05 -0.61 1.98 0.01 -1.26 -2.24 113.70 114.15 2kkx s SER 104 Ca -0.01 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.11 2kkx s SER 104 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2kkx s SER 104 CO -0.08 -2.64 1.84 -0.69 0.41 0.00 0.00 173.24 172.08 2kkx s VAL 105 N 10.10 3.37 -0.54 3.43 1.01 -0.31 -4.96 120.40 132.50 2kkx s VAL 105 Ca 0.73 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 2kkx s VAL 105 Cb -0.11 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.44 2kkx s VAL 105 CO 0.14 -0.92 0.48 0.00 0.00 0.00 0.00 175.10 174.81 2kkx h PRO 107 N 8.68 0.72 0.00 0.00 0.13 -1.92 -1.58 132.00 138.02 2kkx h PRO 107 Ca -0.25 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2kkx h PRO 107 Cb 1.09 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2kkx h PRO 107 CO 0.97 0.47 -0.18 1.05 -0.23 0.00 0.00 178.00 180.09 2kkx h GLU 108 N 0.74 0.00 0.08 0.86 4.11 -1.93 -3.15 114.58 115.29 2kkx h GLU 108 Ca 0.30 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.38 2kkx h GLU 108 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2kkx h GLU 108 CO -0.10 0.18 -1.94 0.54 0.07 0.00 0.00 179.01 177.76 2kkx n ARG 109 N -3.24 0.70 0.29 1.06 5.12 -0.81 -4.30 116.66 115.47 2kkx n ARG 109 Ca 0.01 0.31 0.19 0.00 -1.93 0.00 0.00 57.85 56.43 2kkx n ARG 109 Cb 0.47 -1.69 0.91 0.00 -1.16 0.00 0.00 32.46 30.99 2kkx n ARG 109 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2kkx h LEU 110 N -0.18 0.00 1.43 0.55 3.38 -1.35 -3.46 115.31 115.67 2kkx h LEU 110 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 2kkx h LEU 110 Cb 1.87 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.51 2kkx h LEU 110 CO -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.18 2kkx n GLN 111 N -2.96 -1.50 -3.62 1.13 1.13 -1.19 -4.99 117.38 105.38 2kkx n GLN 111 Ca -0.01 0.95 -0.37 0.00 -1.94 0.00 0.00 57.00 55.63 2kkx n GLN 111 Cb 0.17 -5.34 -0.06 0.00 0.11 0.00 0.00 30.24 25.13 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 -1.31 3.62 0.25 0.00 0.04 -1.26 -4.90 135.00 131.44 2kkx s PRO 113 Ca 0.24 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2kkx s PRO 113 Cb -0.15 -2.41 0.49 0.00 0.04 0.00 0.00 34.50 32.47 2kkx s PRO 113 CO 0.13 -0.71 1.74 -0.07 0.04 0.00 0.00 177.00 178.12 2kkx h LEU 114 N 1.97 0.34 -1.27 -3.56 3.38 -1.96 -0.91 115.31 113.30 2kkx h LEU 114 Ca -0.50 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kkx h LEU 114 Cb 1.26 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2kkx h LEU 114 CO 0.60 0.13 0.39 1.05 0.09 0.00 0.00 178.44 180.69 2kkx h GLU 115 N 0.49 0.89 0.00 1.13 4.11 -1.95 0.16 114.58 119.40 2kkx h GLU 115 Ca 0.43 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 59.69 2kkx h GLU 115 Cb 0.65 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kkx h GLU 115 CO -0.40 0.63 -0.44 0.00 0.07 0.00 0.00 179.01 178.87 2kkx h ALA 116 N 1.53 1.09 -0.27 1.06 0.00 -1.55 -2.81 119.26 118.31 2kkx h ALA 116 Ca 0.24 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2kkx h ALA 116 Cb -0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2kkx h ALA 116 CO -0.04 0.55 -0.12 0.44 0.00 0.00 0.00 179.25 180.08 2kkx n ILE 117 N -3.75 2.44 -2.99 0.00 -5.35 -0.93 -4.54 119.36 104.23 2kkx n ILE 117 Ca -0.01 -2.68 -0.40 0.00 -0.27 0.00 0.00 62.75 59.39 2kkx n ILE 117 Cb 0.51 -0.30 -0.04 0.00 -1.74 0.00 0.00 39.64 38.06 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 -3.17 4.44 -0.29 6.28 0.74 0.53 -4.04 119.66 124.14 2kkx s GLN 118 Ca 0.43 0.95 -0.29 0.00 0.05 0.00 0.00 55.36 56.50 2kkx s GLN 118 Cb 0.39 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 2kkx s GLN 118 CO 0.00 0.01 1.72 0.00 -0.55 0.00 0.00 175.29 176.47 2kkx n PRO 120 N 8.12 0.81 -0.07 0.00 -0.04 -1.26 -0.56 135.00 142.00 2kkx n PRO 120 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2kkx n PRO 120 Cb 0.46 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.64 -0.00 0.52 2.04 -1.92 -3.40 117.51 115.39 2kkx h ILE 121 Ca 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2kkx h ILE 121 Cb 0.00 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2kkx h ILE 121 CO 0.00 0.22 -0.57 0.35 0.00 0.00 0.00 178.15 178.15 2kkx n THR 122 N -4.62 0.00 -3.59 -0.27 -2.24 -1.16 -4.97 114.28 97.43 2kkx n THR 122 Ca -0.11 -0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 2kkx n THR 122 Cb 0.33 0.50 0.07 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.27 -3.32 -3.69 3.22 7.99 0.27 -5.00 117.00 115.21 2kkx n LEU 123 Ca 0.07 -0.54 -0.14 0.00 -0.01 0.00 0.00 56.01 55.39 2kkx n LEU 123 Cb 0.34 -3.01 -0.07 0.00 -0.11 0.00 0.00 43.42 40.58 2kkx n LEU 123 CO 0.35 0.63 0.13 -1.83 -1.51 0.00 0.00 177.39 175.15 2kkx s GLU 124 N -6.31 0.83 -0.12 3.23 -1.05 -1.17 -4.97 118.70 109.14 2kkx s GLU 124 Ca 0.58 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 2kkx s GLU 124 Cb -0.26 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2kkx s GLU 124 CO 0.72 -0.26 1.66 -1.14 0.95 0.00 0.00 175.26 177.18 2kkx s GLN 125 N -1.84 4.00 0.76 -4.83 -0.44 -1.26 -0.92 119.66 115.13 2kkx s GLN 125 Ca -0.09 1.99 -0.12 0.00 -2.50 0.00 0.00 55.36 54.64 2kkx s GLN 125 Cb -0.02 -4.01 0.05 0.00 -1.64 0.00 0.00 33.01 27.38 2kkx s GLN 125 CO 0.02 -1.05 1.12 -1.25 0.50 0.00 0.00 175.29 174.63 2kkx s PRO 126 N 4.34 2.37 0.07 1.67 0.04 -1.26 -4.92 135.00 137.32 2kkx s PRO 126 Ca 0.73 0.39 0.13 0.00 0.04 0.00 0.00 61.00 62.30 2kkx s PRO 126 Cb -0.30 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.11 2kkx s PRO 126 CO 0.29 -1.36 0.97 1.05 0.04 0.00 0.00 177.00 177.99 2kkx h GLU 127 N -0.89 0.00 -3.35 4.56 4.11 -1.95 -3.43 114.58 113.62 2kkx h GLU 127 Ca -0.46 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.81 2kkx h GLU 127 Cb 1.28 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.30 2kkx h GLU 127 CO 0.63 0.55 -0.47 -1.59 0.07 0.00 0.00 179.01 178.20 2kkx s LYS 128 N -2.77 0.39 -0.01 1.06 0.00 -1.26 -1.16 119.74 115.98 2kkx s LYS 128 Ca -0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 55.97 55.58 2kkx s LYS 128 Cb 0.09 0.17 0.11 0.00 0.00 0.00 0.00 37.83 38.19 2kkx s LYS 128 CO 0.81 -0.08 1.15 0.20 0.00 0.00 0.00 175.35 177.43 2kkx s GLY 129 N -0.70 -0.35 0.17 0.59 0.00 -0.95 -2.60 107.32 103.48 2kkx s GLY 129 Ca -0.08 0.78 0.09 0.00 0.00 0.00 0.00 44.72 45.51 2kkx s GLY 129 CO 0.01 0.20 -0.12 -0.26 0.00 0.00 0.00 173.10 172.93 2kkx s ILE 130 N -2.70 3.09 -0.25 0.90 -4.36 0.10 -1.72 121.20 116.25 2kkx s ILE 130 Ca 0.12 -1.66 -0.14 0.00 -0.26 0.00 0.00 60.65 58.71 2kkx s ILE 130 Cb 0.02 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 2kkx s ILE 130 CO -0.03 -0.08 0.30 -0.36 0.24 0.00 0.00 174.94 175.01 2kkx s PHE 131 N -1.63 3.28 -0.18 1.37 0.08 -1.23 -1.01 117.98 118.66 2kkx s PHE 131 Ca 0.24 0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 2kkx s PHE 131 Cb -0.09 -2.47 -0.00 0.00 -0.57 0.00 0.00 43.02 39.89 2kkx s PHE 131 CO 0.14 -0.11 -0.11 0.08 -0.10 0.00 0.00 175.22 175.12 2kkx s VAL 132 N 1.65 2.94 -0.41 -0.44 1.01 -0.55 -0.94 120.40 123.67 2kkx s VAL 132 Ca 0.13 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2kkx s VAL 132 Cb -0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2kkx s VAL 132 CO 0.09 0.49 1.78 -1.59 0.00 0.00 0.00 175.10 175.86 2kkx s LYS 133 N 1.02 3.18 -0.95 2.72 -2.85 0.11 -1.71 119.74 121.25 2kkx s LYS 133 Ca -0.01 1.19 -0.24 0.00 -1.00 0.00 0.00 55.97 55.91 2kkx s LYS 133 Cb -0.15 -4.23 -0.01 0.00 -2.06 0.00 0.00 37.83 31.38 2kkx s LYS 133 CO -0.02 -2.05 1.78 1.21 0.10 0.00 0.00 175.35 176.37 2kkx s ASN 134 N 6.41 5.62 0.29 0.03 3.84 0.03 -4.82 114.94 126.35 2kkx s ASN 134 Ca 0.75 -0.98 -0.01 0.00 0.21 0.00 0.00 52.86 52.83 2kkx s ASN 134 Cb -0.19 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.37 2kkx s ASN 134 CO 0.30 -2.31 1.84 -1.28 -2.79 0.00 0.00 177.10 172.86 2kkx h SER 135 N 10.70 0.74 0.50 -4.21 0.87 -1.88 -0.46 113.55 119.82 2kkx h SER 135 Ca 0.14 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2kkx h SER 135 Cb 1.00 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2kkx h SER 135 CO 1.29 0.73 -0.25 -0.78 -0.53 0.00 0.00 176.83 177.29 2kkx h ASP 136 N 0.77 0.00 -0.12 6.23 3.58 -1.97 -1.46 116.42 123.45 2kkx h ASP 136 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2kkx h ASP 136 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kkx h ASP 136 CO -0.00 0.25 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 2kkx n GLY 137 N -0.39 0.42 1.59 -0.78 0.00 -0.61 -4.86 105.19 100.56 2kkx n GLY 137 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2kkx n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkx n SER 138 N -0.04 -2.35 -1.87 1.61 7.64 -0.57 -4.00 113.62 114.04 2kkx n SER 138 Ca 0.04 -0.08 -0.20 0.00 1.01 0.00 0.00 58.87 59.65 2kkx n SER 138 Cb 0.22 -1.13 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kkx n ASP 139 N -0.05 -5.56 -4.69 6.43 8.00 -0.28 -4.94 116.55 115.46 2kkx n ASP 139 Ca -0.02 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 2kkx n ASP 139 Cb 0.51 -4.72 -0.03 0.00 -0.02 0.00 0.00 41.12 36.87 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kkx s VAL 140 N -2.86 4.78 -0.06 2.53 1.01 -0.95 -3.71 120.40 121.14 2kkx s VAL 140 Ca 0.00 2.04 -0.25 0.00 0.00 0.00 0.00 61.98 63.77 2kkx s VAL 140 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2kkx s VAL 140 CO 0.00 0.01 0.75 0.00 0.00 0.00 0.00 175.10 175.86 2kkx s THR 142 N 0.91 1.66 -0.42 0.00 2.01 -0.69 -4.59 115.64 114.52 2kkx s THR 142 Ca 0.40 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 2kkx s THR 142 Cb -0.18 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 70.96 2kkx s THR 142 CO 0.19 0.47 0.74 -0.22 -0.69 0.00 0.00 174.62 175.11 2kkx s LEU 143 N -0.47 4.28 -0.07 4.42 2.96 -1.26 -1.47 118.68 127.07 2kkx s LEU 143 Ca 0.07 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2kkx s LEU 143 Cb -0.08 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 2kkx s LEU 143 CO -0.01 -0.82 0.07 -0.36 -1.32 0.00 0.00 176.35 173.92 2kkx s PHE 144 N 3.09 3.35 0.22 5.38 0.40 -0.18 -3.38 117.98 126.86 2kkx s PHE 144 Ca 0.28 0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 56.61 2kkx s PHE 144 Cb -0.13 -1.82 -0.11 0.00 0.51 0.00 0.00 43.02 41.47 2kkx s PHE 144 CO 0.20 0.58 1.59 0.34 0.70 0.00 0.00 175.22 178.63 2kkx s ASP 145 N -1.20 6.49 0.31 1.36 2.15 -1.26 -0.73 116.67 123.79 2kkx s ASP 145 Ca 0.17 2.77 -0.01 0.00 0.43 0.00 0.00 52.55 55.91 2kkx s ASP 145 Cb -0.12 -2.61 0.49 0.00 -0.30 0.00 0.00 42.92 40.38 2kkx s ASP 145 CO 0.07 -0.86 1.98 0.00 -0.17 0.00 0.00 175.17 176.18 2kkx h ALA 146 N 5.97 1.45 0.04 3.66 0.00 -1.80 -0.52 119.26 128.05 2kkx h ALA 146 Ca -0.44 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 2kkx h ALA 146 Cb 1.21 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kkx h ALA 146 CO 0.87 0.51 -1.06 0.00 0.00 0.00 0.00 179.25 179.56 2kkx h ALA 147 N 1.51 0.20 -0.20 0.00 0.00 -1.91 -2.45 119.26 116.42 2kkx h ALA 147 Ca 0.29 -0.74 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 2kkx h ALA 147 Cb -0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kkx h ALA 147 CO -0.07 0.77 -0.63 0.00 0.00 0.00 0.00 179.25 179.33 2kkx h ALA 148 N 0.55 0.51 -0.10 0.00 0.00 -1.86 -0.87 119.26 117.50 2kkx h ALA 148 Ca -0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 2kkx h ALA 148 Cb 1.72 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.46 2kkx h ALA 148 CO 0.19 0.70 -0.84 0.35 0.00 0.00 0.00 179.25 179.65 2kkx h PHE 149 N 0.51 1.03 -0.04 0.00 3.57 -1.20 -2.64 116.94 118.17 2kkx h PHE 149 Ca -0.01 -0.49 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 2kkx h PHE 149 Cb 1.22 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2kkx h PHE 149 CO 0.06 1.33 -0.17 1.03 -2.23 0.00 0.00 178.31 178.33 2kkx h SER 150 N 0.45 0.06 0.20 0.41 0.87 -1.42 -1.26 113.55 112.86 2kkx h SER 150 Ca -0.08 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2kkx h SER 150 Cb 1.48 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2kkx h SER 150 CO 0.17 0.23 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.52 2kkx h ARG 151 N 0.06 -0.26 -0.34 2.24 9.65 -1.08 -1.42 114.38 123.23 2kkx h ARG 151 Ca 0.01 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2kkx h ARG 151 Cb 0.34 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 2kkx h ARG 151 CO 0.02 -0.08 0.13 -0.07 2.80 0.00 0.00 179.97 182.78 2kkx h LEU 152 N -0.39 0.16 -0.01 3.80 3.38 -1.03 -1.44 115.31 119.78 2kkx h LEU 152 Ca -0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kkx h LEU 152 Cb 0.30 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kkx h LEU 152 CO 0.04 0.13 0.01 0.58 0.09 0.00 0.00 178.44 179.29 2kkx h VAL 153 N 0.28 1.05 -0.62 1.22 2.07 -1.29 0.42 116.25 119.39 2kkx h VAL 153 Ca 0.15 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2kkx h VAL 153 Cb 0.11 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2kkx h VAL 153 CO -0.14 0.04 0.35 1.23 0.02 0.00 0.00 177.57 179.06 2kkx h GLY 154 N -0.04 0.90 2.00 2.17 0.00 -1.03 -1.00 103.07 106.06 2kkx h GLY 154 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2kkx h GLY 154 CO -0.00 0.37 -0.22 0.83 0.00 0.00 0.00 176.54 177.52 2kkx h GLU 155 N 0.85 0.00 0.00 4.80 4.39 -1.12 -3.47 114.58 120.03 2kkx h GLU 155 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2kkx h GLU 155 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kkx h GLU 155 CO -0.04 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.45 2kkx n GLY 156 N 0.39 0.79 3.82 -3.84 0.00 -0.38 -5.09 105.19 100.87 2kkx n GLY 156 Ca 0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 3.98 0.00 0.99 1.43 0.07 -5.01 118.68 120.15 2kkx s LEU 157 Ca 0.00 1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.73 2kkx s LEU 157 Cb 0.00 -4.48 0.11 0.00 0.03 0.00 0.00 46.19 41.85 2kkx s LEU 157 CO 0.00 -0.33 0.58 -0.81 0.23 0.00 0.00 176.35 176.02 2kkx n PRO 158 N -0.51 -0.88 -1.93 1.29 -0.04 -1.26 -4.36 135.00 127.30 2kkx n PRO 158 Ca 0.06 -0.90 -0.42 0.00 -0.04 0.00 0.00 63.50 62.20 2kkx n PRO 158 Cb 0.54 -0.65 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 2kkx n PRO 158 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kkx s HIS 159 N -2.23 2.74 0.00 0.54 5.65 -0.42 -4.85 115.29 116.72 2kkx s HIS 159 Ca 0.34 0.47 0.31 0.00 0.25 0.00 0.00 55.06 56.44 2kkx s HIS 159 Cb -0.01 -3.95 1.42 0.00 -1.18 0.00 0.00 32.58 28.87 2kkx s HIS 159 CO 0.24 -3.64 1.94 -1.00 -0.65 0.00 0.00 174.74 171.63 2kkx h PRO 160 N 7.57 0.00 0.00 2.88 0.13 -1.94 0.46 132.00 141.10 2kkx h PRO 160 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kkx h PRO 160 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kkx h PRO 160 CO 0.92 0.00 -0.55 1.28 -0.23 0.00 0.00 178.00 179.42 2kkx n LEU 161 N -2.76 1.35 0.01 1.56 4.77 -1.26 -4.67 117.00 116.00 2kkx n LEU 161 Ca 0.00 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 2kkx n LEU 161 Cb 0.21 -0.72 0.16 0.00 -2.33 0.00 0.00 43.42 40.75 2kkx n LEU 161 CO 0.22 -0.40 0.30 1.07 -1.33 0.00 0.00 177.39 177.25 2kkx n THR 162 N -3.93 0.09 -1.87 -5.08 5.66 -1.24 -4.95 114.28 102.96 2kkx n THR 162 Ca -0.08 -0.09 -0.21 0.00 -3.05 0.00 0.00 64.05 60.63 2kkx n THR 162 Cb 0.29 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N -1.69 -1.54 -3.28 1.09 5.12 0.15 -4.99 116.66 111.53 2kkx n ARG 163 Ca 0.04 1.14 -0.29 0.00 -1.93 0.00 0.00 57.85 56.82 2kkx n ARG 163 Cb 0.37 -5.62 -0.03 0.00 -1.16 0.00 0.00 32.46 26.02 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 -4.19 3.64 0.06 5.56 0.41 -1.26 -4.64 118.70 118.28 2kkx s GLU 164 Ca 0.00 0.04 -0.31 0.00 -0.41 0.00 0.00 54.97 54.30 2kkx s GLU 164 Cb 0.00 -2.62 -0.09 0.00 -1.78 0.00 0.00 34.13 29.64 2kkx s GLU 164 CO 0.00 0.18 1.76 -1.25 -0.49 0.00 0.00 175.26 175.47 2kkx s PRO 165 N -3.62 4.17 0.29 0.39 0.04 -1.26 -1.30 135.00 133.70 2kkx s PRO 165 Ca 0.45 2.45 -0.30 0.00 0.04 0.00 0.00 61.00 63.63 2kkx s PRO 165 Cb -0.11 -3.75 -0.11 0.00 0.04 0.00 0.00 34.50 30.58 2kkx s PRO 165 CO 0.30 -0.82 1.48 0.42 0.04 0.00 0.00 177.00 178.42 2kkx s ILE 166 N 3.19 2.40 0.11 0.56 1.01 -1.26 -4.86 121.20 122.34 2kkx s ILE 166 Ca 0.79 0.35 -0.09 0.00 0.00 0.00 0.00 60.65 61.69 2kkx s ILE 166 Cb -0.41 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2kkx s ILE 166 CO 0.35 0.06 0.22 0.28 0.00 0.00 0.00 174.94 175.85 2kkx s THR 167 N -0.26 0.12 0.18 2.92 -1.32 -1.26 -5.01 115.64 111.00 2kkx s THR 167 Ca 0.59 -1.22 0.35 0.00 -1.21 0.00 0.00 61.69 60.20 2kkx s THR 167 Cb -0.44 -1.48 0.40 0.00 -1.51 0.00 0.00 72.50 69.47 2kkx s THR 167 CO 0.48 -0.54 2.04 0.00 -2.21 0.00 0.00 174.62 174.39 2kkx h ALA 168 N 2.68 1.00 0.00 11.08 0.00 -1.92 -2.95 119.26 129.14 2kkx h ALA 168 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kkx h ALA 168 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kkx h ALA 168 CO 0.54 0.00 -0.24 0.77 0.00 0.00 0.00 179.25 180.32 2kkx h SER 169 N 0.00 0.00 -0.01 0.00 0.02 -1.99 -3.20 113.55 108.37 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 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kkx h SER 169 CO 0.00 0.24 -0.40 2.30 -1.14 0.00 0.00 176.83 177.82 2kkx n ILE 170 N -3.53 0.00 -3.60 3.27 -5.35 -1.12 -4.95 119.36 104.08 2kkx n ILE 170 Ca -0.01 -0.30 -0.36 0.00 -0.27 0.00 0.00 62.75 61.81 2kkx n ILE 170 Cb 0.39 1.17 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 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 -2.03 5.32 0.34 7.28 2.07 -1.21 -0.71 121.20 132.26 2kkx s ILE 171 Ca 0.13 0.48 0.04 0.00 -1.41 0.00 0.00 60.65 59.88 2kkx s ILE 171 Cb 0.13 -3.59 -0.04 0.00 0.13 0.00 0.00 42.46 39.10 2kkx s ILE 171 CO 0.45 0.44 0.15 0.68 -1.91 0.00 0.00 174.94 174.75 2kkx s VAL 172 N 0.14 0.49 0.41 4.00 -7.23 -0.11 -4.94 120.40 113.15 2kkx s VAL 172 Ca 0.16 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2kkx s VAL 172 Cb -0.13 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 2kkx s VAL 172 CO 0.04 0.00 0.58 -0.54 -0.31 0.00 0.00 175.10 174.87 2kkx s LYS 173 N -3.77 3.02 0.50 4.82 1.02 -1.26 -3.56 119.74 120.51 2kkx s LYS 173 Ca 0.32 -0.81 0.22 0.00 0.02 0.00 0.00 55.97 55.73 2kkx s LYS 173 Cb 0.04 -2.68 1.33 0.00 -0.52 0.00 0.00 37.83 36.00 2kkx s LYS 173 CO 0.17 -0.16 2.07 1.25 -0.92 0.00 0.00 175.35 177.76 2kkx h HIS 174 N 0.61 0.00 0.00 3.18 -0.00 -1.87 -2.38 115.15 114.68 2kkx h HIS 174 Ca -0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 59.78 2kkx h HIS 174 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.65 2kkx h HIS 174 CO 0.43 0.12 -0.64 0.93 -0.00 0.00 0.00 177.93 178.77 2kkx h GLU 175 N 0.00 0.00 0.00 5.26 4.39 -1.94 -3.29 114.58 119.00 2kkx h GLU 175 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kkx h GLU 175 Cb 0.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kkx h GLU 175 CO 0.02 0.64 -0.63 1.49 -1.16 0.00 0.00 179.01 179.37 2kkx h GLU 176 N 0.00 0.00 -6.73 2.33 4.81 -1.82 -3.46 114.58 109.71 2kkx h GLU 176 Ca -0.01 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.55 2kkx h GLU 176 Cb 1.39 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.58 2kkx h GLU 176 CO 0.08 0.04 -0.81 0.00 -0.73 0.00 0.00 179.01 177.59 2kkx s ILE 178 N -1.24 0.19 0.38 0.00 -0.00 -0.55 -4.79 121.20 115.17 2kkx s ILE 178 Ca 0.18 -1.73 -0.28 0.00 -0.00 0.00 0.00 60.65 58.82 2kkx s ILE 178 Cb -0.10 -1.58 -0.11 0.00 -0.00 0.00 0.00 42.46 40.67 2kkx s ILE 178 CO 0.10 -0.85 1.47 -0.47 -0.00 0.00 0.00 174.94 175.19 2kkx s TYR 179 N -3.93 2.61 -0.02 1.37 5.04 -1.26 -1.08 117.35 120.08 2kkx s TYR 179 Ca 0.10 1.19 0.06 0.00 -2.44 0.00 0.00 57.07 55.97 2kkx s TYR 179 Cb 0.07 -4.00 -0.01 0.00 0.35 0.00 0.00 41.96 38.37 2kkx s TYR 179 CO -0.08 -2.91 -0.19 0.34 -1.34 0.00 0.00 175.55 171.37 2kkx s ASP 180 N -0.18 2.24 -0.09 4.32 -1.08 -0.45 -4.86 116.67 116.56 2kkx s ASP 180 Ca 0.53 -0.35 -0.22 0.00 -0.52 0.00 0.00 52.55 51.99 2kkx s ASP 180 Cb -0.46 -0.30 -0.19 0.00 -1.46 0.00 0.00 42.92 40.52 2kkx s ASP 180 CO 0.62 0.23 0.77 -0.78 0.52 0.00 0.00 175.17 176.52 2kkx h ASP 181 N 5.74 -0.06 0.98 -0.34 3.58 -1.94 -1.22 116.42 123.16 2kkx h ASP 181 Ca -0.37 -0.60 -0.10 0.00 0.42 0.00 0.00 57.03 56.38 2kkx h ASP 181 Cb 1.15 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2kkx h ASP 181 CO 0.48 0.67 -0.49 0.00 -2.88 0.00 0.00 179.24 177.02 2kkx h THR 182 N -0.89 1.03 0.09 2.25 1.03 -1.97 -2.31 112.91 112.14 2kkx h THR 182 Ca -0.01 -1.94 -0.26 0.00 -0.01 0.00 0.00 66.41 64.20 2kkx h THR 182 Cb 0.65 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 69.88 2kkx h THR 182 CO 0.01 0.48 -1.23 0.03 -0.01 0.00 0.00 175.52 174.81 2kkx h ARG 183 N 0.00 0.19 0.00 0.00 2.47 -2.01 -3.48 114.38 111.54 2kkx h ARG 183 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2kkx h ARG 183 Cb 1.12 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2kkx h ARG 183 CO 0.06 1.13 0.00 0.41 0.56 0.00 0.00 179.97 182.13 2kkx n GLY 184 N 1.50 0.54 3.64 0.04 0.00 -0.58 -5.04 105.19 105.29 2kkx n GLY 184 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.86 -0.04 0.05 1.61 3.04 -0.57 -4.95 114.94 111.22 2kkx s ASN 185 Ca 0.00 -0.12 -0.30 0.00 0.04 0.00 0.00 52.86 52.48 2kkx s ASN 185 Cb 0.00 0.14 -0.09 0.00 -1.54 0.00 0.00 41.25 39.76 2kkx s ASN 185 CO 0.00 -0.25 1.84 -0.36 -3.04 0.00 0.00 177.10 175.29 2kkx s PHE 186 N -2.33 1.76 0.31 0.43 0.40 -1.26 -1.34 117.98 115.95 2kkx s PHE 186 Ca 0.15 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2kkx s PHE 186 Cb 0.05 -4.14 -0.04 0.00 0.51 0.00 0.00 43.02 39.40 2kkx s PHE 186 CO -0.04 -4.91 0.14 0.96 0.70 0.00 0.00 175.22 172.07 2kkx s ILE 187 N 3.70 0.42 0.37 0.64 -5.25 -0.24 -0.89 121.20 119.96 2kkx s ILE 187 Ca 0.82 -2.00 -0.26 0.00 -0.99 0.00 0.00 60.65 58.22 2kkx s ILE 187 Cb -0.42 -2.53 -0.09 0.00 2.95 0.00 0.00 42.46 42.38 2kkx s ILE 187 CO 0.37 0.00 1.10 -0.63 -1.79 0.00 0.00 174.94 173.99 2kkx s ILE 188 N -3.57 3.48 0.60 8.37 -1.09 -1.24 -1.49 121.20 126.25 2kkx s ILE 188 Ca 0.35 1.26 -0.18 0.00 -2.23 0.00 0.00 60.65 59.85 2kkx s ILE 188 Cb 0.05 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2kkx s ILE 188 CO 0.17 0.13 1.19 -0.54 -1.23 0.00 0.00 174.94 174.66 2kkx s LYS 189 N -2.14 2.98 -0.04 2.79 1.02 -0.45 -4.87 119.74 119.03 2kkx s LYS 189 Ca 0.54 1.76 0.17 0.00 0.02 0.00 0.00 55.97 58.46 2kkx s LYS 189 Cb -0.27 -1.94 -0.27 0.00 -0.52 0.00 0.00 37.83 34.83 2kkx s LYS 189 CO 0.35 -1.18 0.36 0.41 -0.92 0.00 0.00 175.35 174.36 2kkx n GLY 190 N 0.38 -0.80 0.00 -3.33 0.00 -1.26 -5.06 105.19 95.11 2kkx n GLY 190 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31