#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 0.88 -0.46 -1.46 7.50 -1.98 -3.15 115.11 116.44 2kkx h GLN 91 Ca 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 58.65 58.98 2kkx h GLN 91 Cb 0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 2kkx h GLN 91 CO 0.00 0.70 0.12 1.05 -1.50 0.00 0.00 178.83 179.21 2kkx h GLU 92 N 0.84 0.68 -0.31 1.46 9.09 -1.98 0.19 114.58 124.54 2kkx h GLU 92 Ca 0.21 -0.12 -0.09 0.00 0.05 0.00 0.00 59.36 59.41 2kkx h GLU 92 Cb 0.11 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2kkx h GLU 92 CO -0.03 0.61 -0.15 1.03 0.05 0.00 0.00 179.01 180.53 2kkx h SER 93 N 0.67 0.67 -0.21 3.06 0.87 -1.99 -1.49 113.55 115.14 2kkx h SER 93 Ca 0.15 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2kkx h SER 93 Cb 0.23 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2kkx h SER 93 CO -0.01 0.93 -0.01 0.40 -0.53 0.00 0.00 176.83 177.62 2kkx h ILE 94 N 0.41 1.26 -0.68 2.23 2.04 -1.39 -1.98 117.51 119.39 2kkx h ILE 94 Ca 0.07 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.07 2kkx h ILE 94 Cb 0.68 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 2kkx h ILE 94 CO 0.05 0.27 0.42 1.56 0.00 0.00 0.00 178.15 180.45 2kkx h GLN 95 N 0.12 0.80 -0.79 2.37 1.08 -0.94 0.19 115.11 117.95 2kkx h GLN 95 Ca 0.06 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kkx h GLN 95 Cb 0.41 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 2kkx h GLN 95 CO 0.01 0.53 0.48 -0.91 -0.95 0.00 0.00 178.83 178.00 2kkx h ASN 96 N 0.83 0.94 0.25 1.46 -0.26 -1.22 -2.14 115.58 115.45 2kkx h ASN 96 Ca 0.28 -0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.85 2kkx h ASN 96 Cb 0.03 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 2kkx h ASN 96 CO -0.11 0.73 -0.43 0.11 -1.06 0.00 0.00 177.43 176.66 2kkx h LYS 97 N 1.08 0.23 -0.57 0.81 6.56 -0.43 -1.58 116.57 122.66 2kkx h LYS 97 Ca 0.28 -0.11 -0.09 0.00 -1.06 0.00 0.00 60.65 59.68 2kkx h LYS 97 Cb -0.05 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 2kkx h LYS 97 CO -0.05 0.62 0.02 0.82 -2.06 0.00 0.00 179.45 178.79 2kkx h ILE 98 N 0.19 1.26 -0.76 1.86 2.04 -0.34 0.30 117.51 122.06 2kkx h ILE 98 Ca 0.02 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2kkx h ILE 98 Cb 0.84 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2kkx h ILE 98 CO 0.07 0.40 0.32 0.28 0.00 0.00 0.00 178.15 179.21 2kkx h SER 99 N 0.89 1.03 1.47 1.72 0.02 -1.18 -1.99 113.55 115.51 2kkx h SER 99 Ca 0.16 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2kkx h SER 99 Cb 0.52 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2kkx h SER 99 CO 0.03 0.92 -0.54 1.56 -1.14 0.00 0.00 176.83 177.65 2kkx h GLN 100 N 1.09 0.00 0.00 3.45 1.08 -0.96 -3.34 115.11 116.43 2kkx h GLN 100 Ca 0.25 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.36 2kkx h GLN 100 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2kkx h GLN 100 CO -0.02 0.23 -1.69 0.00 -0.95 0.00 0.00 178.83 176.40 2kkx s LYS 102 N -3.19 0.73 0.10 0.00 -2.85 -0.75 -3.78 119.74 110.00 2kkx s LYS 102 Ca -0.05 0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 55.30 2kkx s LYS 102 Cb 0.10 -1.77 0.05 0.00 -2.06 0.00 0.00 37.83 34.16 2kkx s LYS 102 CO 0.85 -2.54 0.49 -0.59 0.10 0.00 0.00 175.35 173.66 2kkx s PHE 103 N -2.98 -0.37 -0.65 1.78 -0.71 -0.68 -4.88 117.98 109.49 2kkx s PHE 103 Ca 0.65 0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 56.50 2kkx s PHE 103 Cb -0.18 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 2kkx s PHE 103 CO 0.57 -0.71 1.73 -1.54 -1.34 0.00 0.00 175.22 173.93 2kkx s SER 104 N -2.43 5.48 -0.39 1.98 1.04 -1.26 -1.75 113.70 116.37 2kkx s SER 104 Ca -0.01 0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.25 2kkx s SER 104 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 2kkx s SER 104 CO -0.08 -2.26 1.61 -0.69 0.98 0.00 0.00 173.24 172.81 2kkx s VAL 105 N 8.31 3.67 -0.39 5.02 1.01 -0.21 -4.95 120.40 132.86 2kkx s VAL 105 Ca 0.60 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 2kkx s VAL 105 Cb -0.11 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.40 2kkx s VAL 105 CO 0.19 -0.63 0.20 0.00 0.00 0.00 0.00 175.10 174.86 2kkx h PRO 107 N 8.23 0.00 -0.05 0.00 0.13 -1.94 -1.29 132.00 137.08 2kkx h PRO 107 Ca -0.20 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.82 2kkx h PRO 107 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2kkx h PRO 107 CO 0.70 0.00 -0.47 1.05 -0.23 0.00 0.00 178.00 179.05 2kkx h GLU 108 N 0.00 0.13 0.01 0.86 4.11 -1.94 -0.87 114.58 116.88 2kkx h GLU 108 Ca 0.00 -0.07 -0.30 0.00 0.07 0.00 0.00 59.36 59.07 2kkx h GLU 108 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2kkx h GLU 108 CO -0.00 0.58 -1.75 0.54 0.07 0.00 0.00 179.01 178.44 2kkx n ARG 109 N -3.98 0.64 0.21 1.06 1.74 -0.86 -3.81 116.66 111.66 2kkx n ARG 109 Ca -0.02 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.44 2kkx n ARG 109 Cb 0.51 -1.78 0.31 0.00 -1.02 0.00 0.00 32.46 30.48 2kkx n ARG 109 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kkx h LEU 110 N 0.00 0.00 1.52 0.55 3.38 -1.21 -3.47 115.31 116.07 2kkx h LEU 110 Ca -0.30 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.33 2kkx h LEU 110 Cb 2.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 2kkx h LEU 110 CO 0.08 0.23 -0.47 0.00 0.09 0.00 0.00 178.44 178.37 2kkx n GLN 111 N -3.26 -3.15 -4.88 1.13 1.13 -0.34 -5.00 117.38 103.01 2kkx n GLN 111 Ca 0.01 0.63 -0.32 0.00 -1.94 0.00 0.00 57.00 55.38 2kkx n GLN 111 Cb 0.52 -5.32 -0.13 0.00 0.11 0.00 0.00 30.24 25.42 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 -0.82 1.66 0.20 0.00 0.04 -1.26 -4.80 135.00 130.02 2kkx s PRO 113 Ca 0.12 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 2kkx s PRO 113 Cb -0.11 -1.81 0.26 0.00 0.04 0.00 0.00 34.50 32.89 2kkx s PRO 113 CO 0.01 -2.14 1.75 -0.07 0.04 0.00 0.00 177.00 176.59 2kkx h LEU 114 N -1.28 0.25 -1.11 -3.56 3.38 -1.97 -1.46 115.31 109.56 2kkx h LEU 114 Ca -0.44 0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.68 2kkx h LEU 114 Cb 1.26 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 2kkx h LEU 114 CO 0.46 0.15 0.61 1.05 0.09 0.00 0.00 178.44 180.80 2kkx h GLU 115 N 0.42 0.99 0.00 1.13 4.11 -1.96 0.12 114.58 119.40 2kkx h GLU 115 Ca 0.30 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 2kkx h GLU 115 Cb 0.34 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2kkx h GLU 115 CO -0.29 0.66 -0.15 0.00 0.07 0.00 0.00 179.01 179.30 2kkx h ALA 116 N 1.51 1.15 -0.09 1.06 0.00 -1.62 -2.76 119.26 118.51 2kkx h ALA 116 Ca 0.42 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2kkx h ALA 116 Cb 0.28 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 2kkx h ALA 116 CO -0.17 0.19 -0.75 0.44 0.00 0.00 0.00 179.25 178.96 2kkx n ILE 117 N -3.49 1.43 -2.42 0.00 -5.35 -0.95 -4.89 119.36 103.69 2kkx n ILE 117 Ca -0.01 -2.54 -0.42 0.00 -0.27 0.00 0.00 62.75 59.51 2kkx n ILE 117 Cb 0.31 0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 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 -2.19 4.34 -0.33 6.28 0.74 0.39 -4.24 119.66 124.64 2kkx s GLN 118 Ca 0.37 1.72 -0.28 0.00 0.05 0.00 0.00 55.36 57.22 2kkx s GLN 118 Cb 0.38 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 2kkx s GLN 118 CO -0.09 -0.48 1.77 0.00 -0.55 0.00 0.00 175.29 175.94 2kkx n PRO 120 N 8.40 0.46 -0.07 0.00 -0.04 -1.26 -0.27 135.00 142.22 2kkx n PRO 120 Ca 0.22 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2kkx n PRO 120 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.37 0.00 0.52 2.04 -1.91 -3.38 117.51 116.16 2kkx h ILE 121 Ca 0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.82 2kkx h ILE 121 Cb 0.12 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2kkx h ILE 121 CO 0.00 0.47 -0.58 0.35 0.00 0.00 0.00 178.15 178.38 2kkx n THR 122 N -4.65 0.04 -3.17 -0.27 -2.24 -1.07 -4.97 114.28 97.95 2kkx n THR 122 Ca -0.08 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 2kkx n THR 122 Cb 0.37 0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.57 -2.78 -3.52 3.22 7.99 0.63 -4.99 117.00 115.97 2kkx n LEU 123 Ca 0.05 -0.35 -0.16 0.00 -0.01 0.00 0.00 56.01 55.54 2kkx n LEU 123 Cb 0.35 -2.95 -0.05 0.00 -0.11 0.00 0.00 43.42 40.65 2kkx n LEU 123 CO 0.36 0.32 0.38 -1.83 -1.51 0.00 0.00 177.39 175.12 2kkx s GLU 124 N -5.87 1.08 -0.04 3.23 -1.05 -1.08 -4.94 118.70 110.02 2kkx s GLU 124 Ca 0.38 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.92 2kkx s GLU 124 Cb -0.17 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2kkx s GLU 124 CO 0.46 -0.37 1.57 -1.14 0.95 0.00 0.00 175.26 176.73 2kkx s GLN 125 N -1.88 4.20 0.74 -4.83 -0.44 -1.26 -1.20 119.66 114.99 2kkx s GLN 125 Ca -0.08 2.11 -0.11 0.00 -2.50 0.00 0.00 55.36 54.78 2kkx s GLN 125 Cb -0.01 -3.85 0.04 0.00 -1.64 0.00 0.00 33.01 27.55 2kkx s GLN 125 CO 0.03 -0.78 1.09 -1.25 0.50 0.00 0.00 175.29 174.89 2kkx s PRO 126 N 3.56 2.55 0.02 1.67 0.04 -1.26 -4.91 135.00 136.68 2kkx s PRO 126 Ca 0.70 0.58 0.11 0.00 0.04 0.00 0.00 61.00 62.42 2kkx s PRO 126 Cb -0.32 -1.98 -0.22 0.00 0.04 0.00 0.00 34.50 32.02 2kkx s PRO 126 CO 0.28 -1.28 0.90 1.05 0.04 0.00 0.00 177.00 177.99 2kkx h GLU 127 N -0.84 0.00 -3.49 4.56 4.11 -1.94 -3.41 114.58 113.58 2kkx h GLU 127 Ca -0.46 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.73 2kkx h GLU 127 Cb 1.26 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.20 2kkx h GLU 127 CO 0.61 0.67 -0.66 -1.59 0.07 0.00 0.00 179.01 178.11 2kkx s LYS 128 N -2.65 0.04 0.02 1.06 -2.85 -1.26 -1.05 119.74 113.06 2kkx s LYS 128 Ca -0.02 0.18 -0.28 0.00 -1.00 0.00 0.00 55.97 54.84 2kkx s LYS 128 Cb 0.09 -0.09 0.08 0.00 -2.06 0.00 0.00 37.83 35.85 2kkx s LYS 128 CO 0.82 -0.09 0.71 0.20 0.10 0.00 0.00 175.35 177.09 2kkx s GLY 129 N 0.57 -0.55 0.25 0.59 0.00 -0.71 -1.55 107.32 105.91 2kkx s GLY 129 Ca -0.04 1.05 0.08 0.00 0.00 0.00 0.00 44.72 45.81 2kkx s GLY 129 CO -0.02 0.60 0.07 -0.26 0.00 0.00 0.00 173.10 173.48 2kkx s ILE 130 N -2.36 3.84 -0.29 0.90 -4.36 0.29 -1.69 121.20 117.54 2kkx s ILE 130 Ca -0.04 -1.68 -0.10 0.00 -0.26 0.00 0.00 60.65 58.58 2kkx s ILE 130 Cb -0.01 -3.05 -0.03 0.00 1.25 0.00 0.00 42.46 40.63 2kkx s ILE 130 CO -0.02 -0.34 0.14 -0.36 0.24 0.00 0.00 174.94 174.61 2kkx s PHE 131 N -2.19 3.16 -0.19 1.37 0.08 -1.23 -1.25 117.98 117.73 2kkx s PHE 131 Ca 0.31 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 2kkx s PHE 131 Cb -0.07 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2kkx s PHE 131 CO 0.22 -0.34 -0.11 0.08 -0.10 0.00 0.00 175.22 174.97 2kkx s VAL 132 N 1.66 2.85 -0.42 -0.44 1.01 -0.71 -1.20 120.40 123.15 2kkx s VAL 132 Ca 0.06 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2kkx s VAL 132 Cb -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2kkx s VAL 132 CO 0.07 0.48 1.59 -1.59 0.00 0.00 0.00 175.10 175.65 2kkx s LYS 133 N 1.25 3.37 -1.06 2.72 -2.85 0.18 -1.64 119.74 121.71 2kkx s LYS 133 Ca 0.03 1.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.78 2kkx s LYS 133 Cb -0.14 -4.13 -0.12 0.00 -2.06 0.00 0.00 37.83 31.38 2kkx s LYS 133 CO -0.05 -1.82 2.03 1.21 0.10 0.00 0.00 175.35 176.82 2kkx s ASN 134 N 5.13 4.54 0.18 0.03 2.47 0.45 -4.79 114.94 122.94 2kkx s ASN 134 Ca 0.67 -1.11 -0.11 0.00 0.42 0.00 0.00 52.86 52.73 2kkx s ASN 134 Cb -0.16 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.14 2kkx s ASN 134 CO 0.31 -3.51 1.70 -1.28 -3.72 0.00 0.00 177.10 170.60 2kkx h SER 135 N 10.82 0.92 0.04 -4.21 0.87 -1.86 0.18 113.55 120.31 2kkx h SER 135 Ca 0.12 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 2kkx h SER 135 Cb 0.97 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2kkx h SER 135 CO 1.15 0.89 -0.17 -0.78 -0.53 0.00 0.00 176.83 177.39 2kkx h ASP 136 N 0.90 0.25 0.14 6.23 1.82 -1.99 -3.03 116.42 120.74 2kkx h ASP 136 Ca 0.20 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2kkx h ASP 136 Cb 0.31 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2kkx h ASP 136 CO -0.00 0.44 -0.07 1.23 -1.61 0.00 0.00 179.24 179.23 2kkx h GLY 137 N 0.84 -0.20 -1.25 -0.78 0.00 -1.93 -3.47 103.07 96.28 2kkx h GLY 137 Ca 0.05 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2kkx h GLY 137 CO 0.03 -0.07 -0.11 1.44 0.00 0.00 0.00 176.54 177.82 2kkx n SER 138 N -3.14 -0.39 -2.08 0.19 7.64 -0.85 -4.97 113.62 110.02 2kkx n SER 138 Ca -0.02 -0.97 -0.19 0.00 1.01 0.00 0.00 58.87 58.70 2kkx n SER 138 Cb 0.08 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.00 -5.36 -4.68 6.43 9.92 0.59 -4.94 116.55 118.50 2kkx n ASP 139 Ca -0.11 0.20 -0.42 0.00 -0.53 0.00 0.00 54.79 53.93 2kkx n ASP 139 Cb 0.44 -4.59 -0.03 0.00 -0.64 0.00 0.00 41.12 36.31 2kkx n ASP 139 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2kkx s VAL 140 N -2.83 4.77 -0.17 2.53 -7.23 -0.97 -4.36 120.40 112.13 2kkx s VAL 140 Ca 0.00 1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 61.89 2kkx s VAL 140 Cb 0.00 -4.29 -0.01 0.00 0.56 0.00 0.00 36.38 32.64 2kkx s VAL 140 CO 0.00 -0.04 0.91 0.00 -0.31 0.00 0.00 175.10 175.65 2kkx s THR 142 N 2.39 2.25 -0.37 0.00 2.01 -0.65 -4.17 115.64 117.09 2kkx s THR 142 Ca 0.41 -1.40 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 2kkx s THR 142 Cb -0.16 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.46 2kkx s THR 142 CO 0.12 0.33 0.82 -0.22 -0.69 0.00 0.00 174.62 174.98 2kkx s LEU 143 N -1.35 4.10 -0.09 4.42 2.96 -1.26 -1.74 118.68 125.73 2kkx s LEU 143 Ca 0.12 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 2kkx s LEU 143 Cb -0.10 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2kkx s LEU 143 CO 0.03 -0.77 -0.12 -0.36 -1.32 0.00 0.00 176.35 173.80 2kkx s PHE 144 N 3.20 2.79 0.33 5.38 0.08 -0.38 -3.64 117.98 125.75 2kkx s PHE 144 Ca 0.33 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 2kkx s PHE 144 Cb -0.13 -1.74 -0.11 0.00 -0.57 0.00 0.00 43.02 40.46 2kkx s PHE 144 CO 0.18 0.04 1.52 -3.47 -0.10 0.00 0.00 175.22 173.39 2kkx n ASP 145 N 2.84 3.72 -0.22 1.36 -0.08 -1.26 -0.55 116.55 122.37 2kkx n ASP 145 Ca -0.18 1.19 -0.04 0.00 -1.51 0.00 0.00 54.79 54.25 2kkx n ASP 145 Cb 0.52 -1.59 0.06 0.00 2.34 0.00 0.00 41.12 42.45 2kkx n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kkx h ALA 146 N 3.79 0.80 0.04 -1.67 0.00 -1.60 -0.64 119.26 119.99 2kkx h ALA 146 Ca -0.49 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2kkx h ALA 146 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kkx h ALA 146 CO 0.71 0.13 -1.04 0.00 0.00 0.00 0.00 179.25 179.05 2kkx h ALA 147 N 1.27 0.32 0.03 0.00 0.00 -1.91 -2.60 119.26 116.37 2kkx h ALA 147 Ca 0.25 -0.86 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 2kkx h ALA 147 Cb 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kkx h ALA 147 CO -0.10 1.08 -1.08 0.00 0.00 0.00 0.00 179.25 179.15 2kkx h ALA 148 N 0.87 0.13 -0.20 0.00 0.00 -1.88 -1.60 119.26 116.58 2kkx h ALA 148 Ca -0.06 -0.72 -0.19 0.00 0.00 0.00 0.00 54.91 53.94 2kkx h ALA 148 Cb 1.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2kkx h ALA 148 CO 0.15 0.71 -0.64 0.35 0.00 0.00 0.00 179.25 179.83 2kkx h PHE 149 N 0.34 0.92 -0.92 0.00 3.57 -1.23 -2.81 116.94 116.80 2kkx h PHE 149 Ca -0.14 -0.36 0.08 0.00 3.53 0.00 0.00 57.97 61.09 2kkx h PHE 149 Cb 1.74 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 40.25 2kkx h PHE 149 CO 0.10 1.16 0.60 1.03 -2.23 0.00 0.00 178.31 178.96 2kkx h SER 150 N 0.52 0.89 0.08 0.41 0.87 -1.47 -1.28 113.55 113.57 2kkx h SER 150 Ca -0.01 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2kkx h SER 150 Cb 1.23 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2kkx h SER 150 CO 0.13 0.55 -0.13 -0.09 -0.53 0.00 0.00 176.83 176.75 2kkx h ARG 151 N 1.00 -0.25 -0.46 2.24 9.65 -1.12 -0.99 114.38 124.45 2kkx h ARG 151 Ca 0.41 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.36 2kkx h ARG 151 Cb 0.29 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 2kkx h ARG 151 CO -0.17 -0.17 0.20 -0.07 2.80 0.00 0.00 179.97 182.56 2kkx h LEU 152 N -0.26 0.26 -0.25 3.80 3.38 -1.14 -1.68 115.31 119.42 2kkx h LEU 152 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kkx h LEU 152 Cb 0.28 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2kkx h LEU 152 CO -0.08 0.19 0.12 0.58 0.09 0.00 0.00 178.44 179.34 2kkx h VAL 153 N 0.40 1.14 -0.40 1.22 2.07 -1.16 0.54 116.25 120.06 2kkx h VAL 153 Ca 0.21 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2kkx h VAL 153 Cb 0.16 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2kkx h VAL 153 CO -0.18 0.14 0.18 1.23 0.02 0.00 0.00 177.57 178.97 2kkx h GLY 154 N 0.27 0.60 1.88 2.17 0.00 -0.87 -1.49 103.07 105.63 2kkx h GLY 154 Ca 0.09 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 2kkx h GLY 154 CO -0.01 0.26 -0.80 0.83 0.00 0.00 0.00 176.54 176.82 2kkx h GLU 155 N 0.56 0.11 0.00 4.80 4.39 -1.10 -3.48 114.58 119.86 2kkx h GLU 155 Ca 0.14 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kkx h GLU 155 Cb 0.08 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kkx h GLU 155 CO -0.02 0.85 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 2kkx n GLY 156 N 0.72 1.12 3.83 -3.84 0.00 -0.49 -5.10 105.19 101.43 2kkx n GLY 156 Ca -0.02 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 3.84 0.00 0.99 1.43 0.06 -5.02 118.68 119.99 2kkx s LEU 157 Ca 0.00 1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 2kkx s LEU 157 Cb 0.00 -4.48 0.21 0.00 0.03 0.00 0.00 46.19 41.95 2kkx s LEU 157 CO 0.00 -0.42 1.26 -0.81 0.23 0.00 0.00 176.35 176.61 2kkx n PRO 158 N -0.95 -1.17 -1.70 1.29 -0.04 -1.26 -4.54 135.00 126.63 2kkx n PRO 158 Ca 0.06 -2.03 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 2kkx n PRO 158 Cb 0.54 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.70 2.65 1.16 0.54 -0.00 -0.28 -4.88 115.22 110.71 2kkx n HIS 159 Ca 0.16 -0.02 0.11 0.00 -0.00 0.00 0.00 57.72 57.97 2kkx n HIS 159 Cb 0.56 -2.69 0.58 0.00 -0.00 0.00 0.00 29.99 28.44 2kkx n HIS 159 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2kkx n PRO 160 N 4.66 0.48 -0.07 1.57 -0.04 -1.26 -0.58 135.00 139.75 2kkx n PRO 160 Ca 0.17 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2kkx n PRO 160 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2kkx n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kkx n LEU 161 N -1.15 1.70 -0.00 1.53 4.77 -1.26 -4.83 117.00 117.77 2kkx n LEU 161 Ca 0.13 0.28 0.08 0.00 -0.03 0.00 0.00 56.01 56.47 2kkx n LEU 161 Cb 0.12 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 2kkx n LEU 161 CO 0.14 -0.15 -0.16 1.07 -1.33 0.00 0.00 177.39 176.97 2kkx n THR 162 N -4.18 0.00 -1.62 -5.08 5.66 -1.23 -5.00 114.28 102.83 2kkx n THR 162 Ca -0.20 -0.17 -0.15 0.00 -3.05 0.00 0.00 64.05 60.49 2kkx n THR 162 Cb 0.52 0.84 -0.05 0.00 -1.55 0.00 0.00 70.33 70.09 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 -1.50 -1.05 -2.43 1.09 5.12 0.25 -4.98 116.66 113.16 2kkx n ARG 163 Ca 0.02 0.95 -0.33 0.00 -1.93 0.00 0.00 57.85 56.56 2kkx n ARG 163 Cb 0.28 -5.11 -0.03 0.00 -1.16 0.00 0.00 32.46 26.44 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 -3.57 3.79 0.03 5.56 0.41 -1.26 -4.51 118.70 119.14 2kkx s GLU 164 Ca 0.00 1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 55.44 2kkx s GLU 164 Cb 0.00 -2.10 -0.08 0.00 -1.78 0.00 0.00 34.13 30.16 2kkx s GLU 164 CO 0.00 -0.42 1.85 -1.25 -0.49 0.00 0.00 175.26 174.95 2kkx s PRO 165 N -3.64 4.15 0.17 0.39 0.04 -1.26 -1.13 135.00 133.73 2kkx s PRO 165 Ca 0.63 2.49 -0.31 0.00 0.04 0.00 0.00 61.00 63.85 2kkx s PRO 165 Cb -0.13 -4.00 -0.10 0.00 0.04 0.00 0.00 34.50 30.31 2kkx s PRO 165 CO 0.26 -0.90 1.50 0.42 0.04 0.00 0.00 177.00 178.32 2kkx s ILE 166 N 4.00 2.80 0.17 0.56 1.01 -1.26 -4.89 121.20 123.59 2kkx s ILE 166 Ca 0.83 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.95 2kkx s ILE 166 Cb -0.41 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2kkx s ILE 166 CO 0.37 0.06 0.36 0.28 0.00 0.00 0.00 174.94 176.01 2kkx s THR 167 N 0.92 0.05 0.46 2.92 -1.32 -1.26 -5.03 115.64 112.38 2kkx s THR 167 Ca 0.67 -1.18 0.30 0.00 -1.21 0.00 0.00 61.69 60.27 2kkx s THR 167 Cb -0.42 -1.74 0.33 0.00 -1.51 0.00 0.00 72.50 69.16 2kkx s THR 167 CO 0.33 -0.24 2.14 0.00 -2.21 0.00 0.00 174.62 174.64 2kkx h ALA 168 N 2.43 1.29 -0.19 11.08 0.00 -1.92 -3.10 119.26 128.84 2kkx h ALA 168 Ca -0.31 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2kkx h ALA 168 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kkx h ALA 168 CO 0.45 0.09 -0.22 0.77 0.00 0.00 0.00 179.25 180.34 2kkx h SER 169 N 0.00 0.34 -0.01 0.00 0.02 -1.97 -3.17 113.55 108.76 2kkx h SER 169 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2kkx h SER 169 Cb 0.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kkx h SER 169 CO 0.01 0.57 -0.31 2.30 -1.14 0.00 0.00 176.83 178.26 2kkx n ILE 170 N -4.17 0.00 -3.95 3.27 -5.35 -1.17 -4.92 119.36 103.07 2kkx n ILE 170 Ca -0.00 -0.33 -0.35 0.00 -0.27 0.00 0.00 62.75 61.79 2kkx n ILE 170 Cb 0.36 1.29 -0.08 0.00 -1.74 0.00 0.00 39.64 39.46 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 -2.32 5.09 0.19 7.28 2.07 -1.20 -0.64 121.20 131.66 2kkx s ILE 171 Ca 0.22 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 2kkx s ILE 171 Cb 0.19 -3.26 -0.04 0.00 0.13 0.00 0.00 42.46 39.48 2kkx s ILE 171 CO 0.48 0.52 0.07 0.68 -1.91 0.00 0.00 174.94 174.78 2kkx s VAL 172 N -0.21 0.33 0.53 4.00 -7.23 -0.34 -4.97 120.40 112.51 2kkx s VAL 172 Ca 0.09 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2kkx s VAL 172 Cb -0.12 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2kkx s VAL 172 CO 0.01 -0.25 0.85 -0.54 -0.31 0.00 0.00 175.10 174.86 2kkx s LYS 173 N -4.04 3.36 0.51 4.82 1.02 -1.26 -3.53 119.74 120.63 2kkx s LYS 173 Ca 0.31 0.21 0.27 0.00 0.02 0.00 0.00 55.97 56.78 2kkx s LYS 173 Cb 0.07 -2.30 1.38 0.00 -0.52 0.00 0.00 37.83 36.46 2kkx s LYS 173 CO 0.07 -0.40 2.04 1.25 -0.92 0.00 0.00 175.35 177.39 2kkx h HIS 174 N 0.03 0.00 0.00 3.18 -0.00 -1.86 -1.95 115.15 114.55 2kkx h HIS 174 Ca -0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.85 2kkx h HIS 174 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.62 2kkx h HIS 174 CO 0.56 0.13 -0.75 0.93 -0.00 0.00 0.00 177.93 178.81 2kkx h GLU 175 N 0.00 0.00 0.00 5.26 3.07 -1.93 -3.34 114.58 117.64 2kkx h GLU 175 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2kkx h GLU 175 Cb 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2kkx h GLU 175 CO 0.02 0.16 -0.63 1.49 -1.40 0.00 0.00 179.01 178.65 2kkx h GLU 176 N 0.00 0.00 -6.37 2.33 4.81 -1.75 -3.45 114.58 110.15 2kkx h GLU 176 Ca -0.04 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.59 2kkx h GLU 176 Cb 1.20 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 2kkx h GLU 176 CO 0.02 0.36 -0.69 0.00 -0.73 0.00 0.00 179.01 177.97 2kkx s ILE 178 N -1.84 0.62 0.10 0.00 -0.00 -0.18 -4.78 121.20 115.12 2kkx s ILE 178 Ca 0.27 -1.68 -0.31 0.00 -0.00 0.00 0.00 60.65 58.93 2kkx s ILE 178 Cb -0.08 -1.36 -0.07 0.00 -0.00 0.00 0.00 42.46 40.94 2kkx s ILE 178 CO 0.17 -0.74 1.33 -0.72 -0.00 0.00 0.00 174.94 174.98 2kkx s TYR 179 N -3.00 3.29 -0.16 1.37 1.13 -1.26 -1.05 117.35 117.68 2kkx s TYR 179 Ca 0.05 1.05 -0.01 0.00 -1.41 0.00 0.00 57.07 56.75 2kkx s TYR 179 Cb 0.01 -3.61 -0.01 0.00 -1.10 0.00 0.00 41.96 37.25 2kkx s TYR 179 CO -0.04 -2.06 -0.11 0.34 -2.51 0.00 0.00 175.55 171.17 2kkx s ASP 180 N 1.10 4.05 0.14 -0.18 -1.08 -0.22 -4.92 116.67 115.56 2kkx s ASP 180 Ca 0.63 -0.36 -0.10 0.00 -0.52 0.00 0.00 52.55 52.20 2kkx s ASP 180 Cb -0.35 -1.64 -0.06 0.00 -1.46 0.00 0.00 42.92 39.41 2kkx s ASP 180 CO 0.30 0.11 1.42 -2.24 0.52 0.00 0.00 175.17 175.28 2kkx h ASP 181 N 7.15 0.93 1.26 -0.34 2.03 -1.94 0.69 116.42 126.20 2kkx h ASP 181 Ca -0.31 -0.50 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 2kkx h ASP 181 Cb 1.19 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 2kkx h ASP 181 CO 0.58 1.29 -0.32 0.00 -1.03 0.00 0.00 179.24 179.76 2kkx h THR 182 N 0.64 0.00 0.04 1.15 1.03 -1.96 -2.65 112.91 111.17 2kkx h THR 182 Ca 0.01 -0.58 -0.26 0.00 -0.01 0.00 0.00 66.41 65.57 2kkx h THR 182 Cb 1.15 1.38 -0.02 0.00 -1.07 0.00 0.00 68.15 69.58 2kkx h THR 182 CO 0.12 0.00 -1.31 0.03 -0.01 0.00 0.00 175.52 174.35 2kkx h ARG 183 N 0.00 0.09 0.00 0.00 2.47 -1.99 -3.48 114.38 111.47 2kkx h ARG 183 Ca 0.00 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2kkx h ARG 183 Cb 0.79 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2kkx h ARG 183 CO 0.00 0.95 0.00 0.41 0.56 0.00 0.00 179.97 181.89 2kkx n GLY 184 N 1.49 0.51 3.10 0.04 0.00 0.19 -5.01 105.19 105.51 2kkx n GLY 184 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2kkx n GLY 184 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kkx s ASN 185 N -2.20 0.76 0.12 1.61 -0.87 -0.90 -4.93 114.94 108.53 2kkx s ASN 185 Ca 0.00 -0.86 -0.31 0.00 -1.57 0.00 0.00 52.86 50.12 2kkx s ASN 185 Cb 0.00 0.12 -0.08 0.00 -0.02 0.00 0.00 41.25 41.27 2kkx s ASN 185 CO 0.00 -0.44 1.43 -0.36 -2.57 0.00 0.00 177.10 175.15 2kkx s PHE 186 N -3.06 3.18 0.30 2.20 0.40 -1.26 -1.06 117.98 118.68 2kkx s PHE 186 Ca 0.03 0.88 0.04 0.00 -0.60 0.00 0.00 56.93 57.28 2kkx s PHE 186 Cb 0.02 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.78 2kkx s PHE 186 CO -0.05 -2.59 0.20 0.96 0.70 0.00 0.00 175.22 174.44 2kkx s ILE 187 N 1.19 0.14 0.44 0.64 -5.25 -0.22 -0.12 121.20 118.02 2kkx s ILE 187 Ca 0.66 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 58.10 2kkx s ILE 187 Cb -0.38 -2.49 -0.09 0.00 2.95 0.00 0.00 42.46 42.45 2kkx s ILE 187 CO 0.30 0.00 1.02 -0.63 -1.79 0.00 0.00 174.94 173.84 2kkx s ILE 188 N -3.64 3.89 0.95 8.37 -1.09 -1.26 -1.01 121.20 127.40 2kkx s ILE 188 Ca 0.38 1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 59.96 2kkx s ILE 188 Cb 0.04 -3.57 0.16 0.00 -1.58 0.00 0.00 42.46 37.52 2kkx s ILE 188 CO 0.20 -0.16 1.09 -0.54 -1.23 0.00 0.00 174.94 174.30 2kkx s LYS 189 N -2.95 0.80 0.01 2.79 1.02 -0.81 -4.82 119.74 115.78 2kkx s LYS 189 Ca 0.63 1.10 -0.20 0.00 0.02 0.00 0.00 55.97 57.52 2kkx s LYS 189 Cb -0.17 -1.73 -0.20 0.00 -0.52 0.00 0.00 37.83 35.21 2kkx s LYS 189 CO 0.21 -2.64 1.18 0.78 -0.92 0.00 0.00 175.35 173.96 2kkx h GLY 190 N -1.85 0.42 1.00 -3.33 0.00 -1.96 -3.51 103.07 93.84 2kkx h GLY 190 Ca -0.49 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.22 2kkx h GLY 190 CO 0.49 0.55 0.00 -2.01 0.00 0.00 0.00 176.54 175.57