#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 0.72 -0.83 1.43 7.50 -1.99 -2.48 115.11 119.46 2kkx h GLN 91 Ca 0.00 -0.07 0.05 0.00 0.50 0.00 0.00 58.65 59.13 2kkx h GLN 91 Cb 0.00 -0.15 -0.06 0.00 0.05 0.00 0.00 27.48 27.32 2kkx h GLN 91 CO 0.00 0.52 0.52 1.05 -1.50 0.00 0.00 178.83 179.43 2kkx h GLU 92 N 0.71 0.94 0.03 1.46 9.09 -1.99 -0.98 114.58 123.86 2kkx h GLU 92 Ca 0.19 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 2kkx h GLU 92 Cb -0.01 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 26.88 2kkx h GLU 92 CO -0.04 0.63 -0.02 1.03 0.05 0.00 0.00 179.01 180.66 2kkx h SER 93 N 0.97 -0.04 -0.42 3.06 0.87 -1.96 -2.70 113.55 113.33 2kkx h SER 93 Ca 0.35 -0.58 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 2kkx h SER 93 Cb 0.11 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kkx h SER 93 CO -0.15 0.58 0.13 0.40 -0.53 0.00 0.00 176.83 177.26 2kkx h ILE 94 N -0.69 1.22 0.00 2.23 2.04 -1.24 -0.32 117.51 120.76 2kkx h ILE 94 Ca -0.00 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 2kkx h ILE 94 Cb 0.62 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2kkx h ILE 94 CO 0.01 0.26 -0.42 1.56 0.00 0.00 0.00 178.15 179.56 2kkx h GLN 95 N 0.55 0.00 -0.63 2.37 4.20 -1.31 0.25 115.11 120.54 2kkx h GLN 95 Ca 0.14 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2kkx h GLN 95 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2kkx h GLN 95 CO -0.00 0.42 0.15 -0.91 -0.67 0.00 0.00 178.83 177.81 2kkx h ASN 96 N 0.00 0.96 -0.17 1.46 2.35 -1.08 -1.61 115.58 117.50 2kkx h ASN 96 Ca -0.00 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 2kkx h ASN 96 Cb 0.86 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 2kkx h ASN 96 CO 0.05 0.94 -0.11 0.11 -1.65 0.00 0.00 177.43 176.78 2kkx h LYS 97 N 0.93 0.52 -0.42 0.81 6.56 -0.18 -0.75 116.57 124.05 2kkx h LYS 97 Ca 0.20 -0.15 -0.11 0.00 -1.06 0.00 0.00 60.65 59.53 2kkx h LYS 97 Cb 0.36 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 2kkx h LYS 97 CO 0.00 0.63 -0.19 0.82 -2.06 0.00 0.00 179.45 178.65 2kkx h ILE 98 N 0.49 1.27 -0.36 1.86 2.04 -0.87 -0.37 117.51 121.57 2kkx h ILE 98 Ca 0.09 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 2kkx h ILE 98 Cb 0.48 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2kkx h ILE 98 CO 0.03 0.44 -0.19 -1.28 0.00 0.00 0.00 178.15 177.14 2kkx h SER 99 N 0.71 0.68 0.11 1.72 0.87 -0.64 -2.68 113.55 114.32 2kkx h SER 99 Ca 0.10 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 99 Cb 0.70 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kkx h SER 99 CO 0.05 0.87 -0.05 1.56 -0.53 0.00 0.00 176.83 178.73 2kkx h GLN 100 N 0.61 -0.14 0.00 2.24 1.08 -1.01 -3.37 115.11 114.51 2kkx h GLN 100 Ca 0.09 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2kkx h GLN 100 Cb 0.66 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2kkx h GLN 100 CO 0.05 0.35 0.00 0.00 -0.95 0.00 0.00 178.83 178.27 2kkx s LYS 102 N -3.59 -0.17 0.09 0.00 -2.85 -1.01 -4.42 119.74 107.79 2kkx s LYS 102 Ca 0.02 0.47 -0.26 0.00 -1.00 0.00 0.00 55.97 55.20 2kkx s LYS 102 Cb 0.08 -1.67 0.07 0.00 -2.06 0.00 0.00 37.83 34.25 2kkx s LYS 102 CO 0.56 -3.13 0.63 -0.59 0.10 0.00 0.00 175.35 172.92 2kkx s PHE 103 N -2.87 -0.58 -0.51 1.78 -0.71 -0.51 -4.97 117.98 109.62 2kkx s PHE 103 Ca 0.67 0.59 -0.27 0.00 -1.04 0.00 0.00 56.93 56.88 2kkx s PHE 103 Cb -0.19 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 2kkx s PHE 103 CO 0.59 -0.77 1.72 -1.54 -1.34 0.00 0.00 175.22 173.88 2kkx s SER 104 N -2.23 5.69 -0.80 1.98 1.04 -1.26 -1.31 113.70 116.81 2kkx s SER 104 Ca -0.03 0.63 -0.26 0.00 0.48 0.00 0.00 55.95 56.78 2kkx s SER 104 Cb -0.01 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2kkx s SER 104 CO -0.05 -1.99 1.46 -0.69 0.98 0.00 0.00 173.24 172.94 2kkx s VAL 105 N 7.60 3.69 -0.45 5.02 1.01 -0.35 -4.90 120.40 132.02 2kkx s VAL 105 Ca 0.67 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 2kkx s VAL 105 Cb -0.15 -4.74 0.07 0.00 0.00 0.00 0.00 36.38 31.56 2kkx s VAL 105 CO 0.26 -1.67 0.35 0.00 0.00 0.00 0.00 175.10 174.04 2kkx h PRO 107 N 8.65 0.15 0.00 0.00 0.13 -1.91 -0.76 132.00 138.27 2kkx h PRO 107 Ca -0.27 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.65 2kkx h PRO 107 Cb 1.10 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2kkx h PRO 107 CO 0.84 0.18 -0.91 1.05 -0.23 0.00 0.00 178.00 178.92 2kkx h GLU 108 N 0.15 0.02 0.09 0.86 4.11 -1.94 -0.61 114.58 117.26 2kkx h GLU 108 Ca 0.04 -0.02 -0.26 0.00 0.07 0.00 0.00 59.36 59.18 2kkx h GLU 108 Cb 0.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kkx h GLU 108 CO 0.00 0.92 -1.15 -0.09 0.07 0.00 0.00 179.01 178.76 2kkx h ARG 109 N 0.01 0.30 0.00 1.06 1.12 -1.82 -3.19 114.38 111.87 2kkx h ARG 109 Ca -0.01 -0.45 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 2kkx h ARG 109 Cb 1.61 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.72 2kkx h ARG 109 CO 0.12 1.18 0.00 -0.07 -3.11 0.00 0.00 179.97 178.09 2kkx h LEU 110 N 0.11 0.00 1.44 3.80 3.38 -1.16 -3.48 115.31 119.41 2kkx h LEU 110 Ca -0.12 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.49 2kkx h LEU 110 Cb 1.85 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.49 2kkx h LEU 110 CO 0.19 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.35 2kkx n GLN 111 N -2.98 -1.51 -4.11 1.13 1.13 -0.25 -4.99 117.38 105.81 2kkx n GLN 111 Ca 0.04 1.02 -0.32 0.00 -1.94 0.00 0.00 57.00 55.80 2kkx n GLN 111 Cb 0.48 -5.43 -0.07 0.00 0.11 0.00 0.00 30.24 25.33 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 -1.86 2.56 0.27 0.00 0.04 -1.26 -4.77 135.00 129.98 2kkx s PRO 113 Ca 0.24 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kkx s PRO 113 Cb -0.12 -1.89 0.52 0.00 0.04 0.00 0.00 34.50 33.05 2kkx s PRO 113 CO 0.15 -1.51 1.82 -0.07 0.04 0.00 0.00 177.00 177.43 2kkx h LEU 114 N 0.21 0.81 -0.92 -3.56 3.38 -1.95 -1.37 115.31 111.91 2kkx h LEU 114 Ca -0.49 0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.59 2kkx h LEU 114 Cb 1.29 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 2kkx h LEU 114 CO 0.52 0.42 0.58 1.05 0.09 0.00 0.00 178.44 181.11 2kkx h GLU 115 N 0.89 1.05 0.00 1.13 4.11 -1.96 0.14 114.58 119.94 2kkx h GLU 115 Ca 0.47 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.80 2kkx h GLU 115 Cb 0.49 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kkx h GLU 115 CO -0.28 0.70 -0.20 0.00 0.07 0.00 0.00 179.01 179.30 2kkx h ALA 116 N 1.41 1.06 -0.24 1.06 0.00 -1.61 -2.85 119.26 118.08 2kkx h ALA 116 Ca 0.39 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 2kkx h ALA 116 Cb 0.12 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.64 2kkx h ALA 116 CO -0.16 0.25 -0.77 0.44 0.00 0.00 0.00 179.25 179.01 2kkx n ILE 117 N -3.41 1.73 -2.99 0.00 -5.35 -0.98 -4.82 119.36 103.54 2kkx n ILE 117 Ca -0.00 -3.00 -0.40 0.00 -0.27 0.00 0.00 62.75 59.08 2kkx n ILE 117 Cb 0.39 -0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.21 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 -2.74 4.53 -0.35 6.28 0.74 0.45 -4.04 119.66 124.53 2kkx s GLN 118 Ca 0.39 1.11 -0.29 0.00 0.05 0.00 0.00 55.36 56.62 2kkx s GLN 118 Cb 0.38 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 31.20 2kkx s GLN 118 CO -0.06 0.47 1.27 0.00 -0.55 0.00 0.00 175.29 176.41 2kkx n PRO 120 N 7.46 0.69 -0.08 0.00 -0.04 -1.26 -0.98 135.00 140.80 2kkx n PRO 120 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2kkx n PRO 120 Cb 0.47 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.70 0.00 0.52 2.04 -1.91 -3.40 117.51 115.45 2kkx h ILE 121 Ca 0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2kkx h ILE 121 Cb 0.00 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2kkx h ILE 121 CO 0.00 0.24 -0.59 0.71 0.00 0.00 0.00 178.15 178.50 2kkx h THR 122 N -1.00 0.00 -3.50 -0.27 1.35 -1.97 -3.48 112.91 104.04 2kkx h THR 122 Ca -0.10 -0.89 -0.28 0.00 -0.55 0.00 0.00 66.41 64.60 2kkx h THR 122 Cb 0.73 1.57 0.06 0.00 -1.73 0.00 0.00 68.15 68.79 2kkx h THR 122 CO -0.06 0.00 -0.43 0.18 -0.25 0.00 0.00 175.52 174.96 2kkx n LEU 123 N -2.69 -2.50 -3.68 3.87 7.99 -0.15 -5.03 117.00 114.81 2kkx n LEU 123 Ca 0.02 -0.24 -0.14 0.00 -0.01 0.00 0.00 56.01 55.64 2kkx n LEU 123 Cb 0.52 -2.20 -0.07 0.00 -0.11 0.00 0.00 43.42 41.55 2kkx n LEU 123 CO 0.37 0.24 0.15 -1.83 -1.51 0.00 0.00 177.39 174.81 2kkx s GLU 124 N -5.48 0.83 -0.26 3.23 -1.05 -1.18 -4.99 118.70 109.80 2kkx s GLU 124 Ca 0.26 -0.17 -0.29 0.00 -0.15 0.00 0.00 54.97 54.62 2kkx s GLU 124 Cb -0.11 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2kkx s GLU 124 CO 0.32 -0.26 1.65 -1.14 0.95 0.00 0.00 175.26 176.78 2kkx s GLN 125 N -1.72 3.66 0.80 -4.83 -0.44 -1.26 -1.07 119.66 114.80 2kkx s GLN 125 Ca -0.10 1.54 -0.11 0.00 -2.50 0.00 0.00 55.36 54.19 2kkx s GLN 125 Cb -0.03 -4.08 0.07 0.00 -1.64 0.00 0.00 33.01 27.34 2kkx s GLN 125 CO 0.03 -1.46 1.09 -1.25 0.50 0.00 0.00 175.29 174.20 2kkx s PRO 126 N 4.95 2.05 0.17 1.67 0.04 -1.26 -4.92 135.00 137.71 2kkx s PRO 126 Ca 0.73 0.76 0.23 0.00 0.04 0.00 0.00 61.00 62.76 2kkx s PRO 126 Cb -0.23 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.55 2kkx s PRO 126 CO 0.31 -1.67 1.17 1.05 0.04 0.00 0.00 177.00 177.90 2kkx h GLU 127 N -1.13 0.00 -2.59 4.56 -0.00 -1.95 -3.41 114.58 110.06 2kkx h GLU 127 Ca -0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 58.79 2kkx h GLU 127 Cb 1.26 0.00 -0.23 0.00 -0.00 0.00 0.00 28.75 29.78 2kkx h GLU 127 CO 0.57 0.00 -0.15 -1.59 -0.00 0.00 0.00 179.01 177.84 2kkx s LYS 128 N -3.27 0.58 0.07 1.06 0.00 -1.26 -1.21 119.74 115.71 2kkx s LYS 128 Ca 0.03 0.60 -0.27 0.00 0.00 0.00 0.00 55.97 56.32 2kkx s LYS 128 Cb 0.11 0.28 0.09 0.00 0.00 0.00 0.00 37.83 38.31 2kkx s LYS 128 CO 0.76 -0.08 1.06 0.20 0.00 0.00 0.00 175.35 177.29 2kkx s GLY 129 N 0.12 -0.31 0.22 0.59 0.00 -0.43 -2.48 107.32 105.03 2kkx s GLY 129 Ca -0.01 0.45 0.11 0.00 0.00 0.00 0.00 44.72 45.27 2kkx s GLY 129 CO 0.01 0.10 -0.22 -0.26 0.00 0.00 0.00 173.10 172.73 2kkx s ILE 130 N -2.97 2.29 -0.25 0.90 -4.36 0.31 -1.42 121.20 115.70 2kkx s ILE 130 Ca 0.12 -2.15 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 2kkx s ILE 130 Cb 0.01 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 2kkx s ILE 130 CO -0.01 -0.26 0.19 -0.36 0.24 0.00 0.00 174.94 174.74 2kkx s PHE 131 N -2.05 3.29 -0.14 1.37 0.08 -1.24 -1.08 117.98 118.22 2kkx s PHE 131 Ca 0.23 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.51 2kkx s PHE 131 Cb -0.06 -2.32 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 2kkx s PHE 131 CO 0.11 -0.01 -0.16 0.08 -0.10 0.00 0.00 175.22 175.14 2kkx s VAL 132 N 1.31 1.65 -0.17 -0.44 1.01 -0.63 -1.06 120.40 122.06 2kkx s VAL 132 Ca 0.08 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2kkx s VAL 132 Cb -0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2kkx s VAL 132 CO 0.07 0.47 1.57 -1.59 0.00 0.00 0.00 175.10 175.62 2kkx s LYS 133 N 1.25 3.96 -1.09 2.72 -2.85 0.23 -1.63 119.74 122.34 2kkx s LYS 133 Ca 0.00 1.79 -0.22 0.00 -1.00 0.00 0.00 55.97 56.54 2kkx s LYS 133 Cb -0.14 -3.98 -0.01 0.00 -2.06 0.00 0.00 37.83 31.64 2kkx s LYS 133 CO -0.07 -1.09 1.79 1.21 0.10 0.00 0.00 175.35 177.29 2kkx s ASN 134 N 3.65 5.75 0.19 0.03 3.84 -0.00 -4.81 114.94 123.58 2kkx s ASN 134 Ca 0.69 -1.48 -0.09 0.00 0.21 0.00 0.00 52.86 52.20 2kkx s ASN 134 Cb -0.26 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 37.94 2kkx s ASN 134 CO 0.27 -2.26 1.65 -1.28 -2.79 0.00 0.00 177.10 172.69 2kkx h SER 135 N 9.78 1.05 -0.33 -4.21 0.87 -1.89 0.69 113.55 119.52 2kkx h SER 135 Ca 0.22 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2kkx h SER 135 Cb 0.96 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2kkx h SER 135 CO 1.31 1.10 0.02 -0.78 -0.53 0.00 0.00 176.83 177.96 2kkx h ASP 136 N 0.98 0.63 0.26 6.23 3.58 -1.99 -3.15 116.42 122.97 2kkx h ASP 136 Ca 0.17 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2kkx h ASP 136 Cb 0.56 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2kkx h ASP 136 CO 0.03 0.69 -0.13 1.23 -2.88 0.00 0.00 179.24 178.19 2kkx h GLY 137 N 0.91 -0.37 -0.88 -0.78 0.00 -1.93 -3.46 103.07 96.56 2kkx h GLY 137 Ca 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2kkx h GLY 137 CO 0.01 -0.13 -0.06 -1.26 0.00 0.00 0.00 176.54 175.10 2kkx n SER 138 N -3.91 -0.19 -2.57 0.19 2.88 -1.02 -4.99 113.62 104.01 2kkx n SER 138 Ca -0.04 -0.70 -0.21 0.00 -1.33 0.00 0.00 58.87 56.59 2kkx n SER 138 Cb 0.14 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kkx n ASP 139 N 0.00 -5.85 -4.71 -3.46 9.92 0.21 -4.98 116.55 107.69 2kkx n ASP 139 Ca -0.05 -0.08 -0.37 0.00 -0.53 0.00 0.00 54.79 53.76 2kkx n ASP 139 Cb 0.34 -4.83 -0.07 0.00 -0.64 0.00 0.00 41.12 35.92 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kkx s VAL 140 N -3.05 5.23 -0.00 2.53 1.01 -1.10 -4.03 120.40 120.98 2kkx s VAL 140 Ca 0.08 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 2kkx s VAL 140 Cb -0.04 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kkx s VAL 140 CO 0.10 0.32 0.79 0.00 0.00 0.00 0.00 175.10 176.31 2kkx s THR 142 N 0.44 1.71 -0.34 0.00 2.01 -0.64 -4.70 115.64 114.12 2kkx s THR 142 Ca 0.41 -1.33 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 2kkx s THR 142 Cb -0.20 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2kkx s THR 142 CO 0.22 0.12 0.65 -0.22 -0.69 0.00 0.00 174.62 174.70 2kkx s LEU 143 N -1.43 4.22 -0.08 4.42 2.96 -1.26 -1.60 118.68 125.91 2kkx s LEU 143 Ca 0.07 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2kkx s LEU 143 Cb -0.09 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 2kkx s LEU 143 CO 0.03 -0.58 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.03 2kkx s PHE 144 N 2.71 2.86 0.25 5.38 0.08 -0.24 -3.60 117.98 125.43 2kkx s PHE 144 Ca 0.25 -0.13 -0.31 0.00 0.12 0.00 0.00 56.93 56.86 2kkx s PHE 144 Cb -0.14 -1.73 -0.13 0.00 -0.57 0.00 0.00 43.02 40.45 2kkx s PHE 144 CO 0.14 0.20 1.53 -3.47 -0.10 0.00 0.00 175.22 173.52 2kkx n ASP 145 N 2.51 3.37 -0.27 1.36 -0.08 -1.26 -0.53 116.55 121.65 2kkx n ASP 145 Ca -0.18 1.13 -0.01 0.00 -1.51 0.00 0.00 54.79 54.23 2kkx n ASP 145 Cb 0.53 -1.51 0.12 0.00 2.34 0.00 0.00 41.12 42.59 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 4.85 1.04 -0.01 -1.67 0.00 -1.77 -0.87 119.26 120.82 2kkx h ALA 146 Ca -0.46 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2kkx h ALA 146 Cb 1.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kkx h ALA 146 CO 0.80 0.18 -0.93 0.00 0.00 0.00 0.00 179.25 179.30 2kkx h ALA 147 N 1.37 0.36 -0.22 0.00 0.00 -1.90 -2.55 119.26 116.32 2kkx h ALA 147 Ca 0.33 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2kkx h ALA 147 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kkx h ALA 147 CO -0.17 0.80 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 2kkx h ALA 148 N 0.73 0.33 -0.19 0.00 0.00 -1.82 -0.04 119.26 118.27 2kkx h ALA 148 Ca -0.08 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2kkx h ALA 148 Cb 1.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kkx h ALA 148 CO 0.16 0.33 -0.58 0.35 0.00 0.00 0.00 179.25 179.51 2kkx h PHE 149 N 0.26 0.78 -0.55 0.00 3.57 -1.28 -2.62 116.94 117.10 2kkx h PHE 149 Ca 0.03 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 2kkx h PHE 149 Cb 0.85 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 2kkx h PHE 149 CO 0.08 1.05 0.18 1.03 -2.23 0.00 0.00 178.31 178.42 2kkx h SER 150 N 0.46 0.75 -0.41 0.41 0.87 -1.41 -2.45 113.55 111.77 2kkx h SER 150 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2kkx h SER 150 Cb 1.15 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2kkx h SER 150 CO 0.11 0.70 0.26 -0.09 -0.53 0.00 0.00 176.83 177.28 2kkx h ARG 151 N 0.79 0.54 -0.45 2.24 2.43 -0.78 -1.05 114.38 118.10 2kkx h ARG 151 Ca 0.18 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2kkx h ARG 151 Cb 0.22 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2kkx h ARG 151 CO -0.01 0.38 0.15 -0.07 -1.51 0.00 0.00 179.97 178.91 2kkx h LEU 152 N 0.54 0.14 -0.24 3.80 3.38 -1.10 -1.30 115.31 120.55 2kkx h LEU 152 Ca 0.15 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2kkx h LEU 152 Cb -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kkx h LEU 152 CO -0.03 0.11 0.01 0.58 0.09 0.00 0.00 178.44 179.20 2kkx h VAL 153 N 0.32 1.25 -0.27 1.22 2.07 -1.24 0.49 116.25 120.09 2kkx h VAL 153 Ca 0.21 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2kkx h VAL 153 Cb 0.22 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2kkx h VAL 153 CO -0.23 0.27 0.08 1.23 0.02 0.00 0.00 177.57 178.94 2kkx h GLY 154 N 0.19 0.41 1.82 2.17 0.00 -0.91 -1.02 103.07 105.73 2kkx h GLY 154 Ca 0.07 -0.19 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 2kkx h GLY 154 CO 0.01 0.19 -0.83 0.83 0.00 0.00 0.00 176.54 176.73 2kkx h GLU 155 N 0.39 0.16 0.00 4.80 4.39 -1.14 -3.48 114.58 119.69 2kkx h GLU 155 Ca 0.09 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2kkx h GLU 155 Cb 0.13 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2kkx h GLU 155 CO -0.01 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.15 2kkx n GLY 156 N 0.78 1.27 3.86 -3.84 0.00 -0.39 -5.11 105.19 101.76 2kkx n GLY 156 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.88 1.02 0.99 1.43 0.09 -5.01 118.68 121.08 2kkx s LEU 157 Ca 0.00 1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 2kkx s LEU 157 Cb 0.00 -4.11 0.20 0.00 0.03 0.00 0.00 46.19 42.32 2kkx s LEU 157 CO 0.00 -0.36 1.19 -2.16 0.23 0.00 0.00 176.35 175.25 2kkx s PRO 158 N -3.58 0.26 0.24 1.29 0.04 -1.26 -4.51 135.00 127.47 2kkx s PRO 158 Ca 0.53 -0.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 2kkx s PRO 158 Cb -0.10 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 2kkx s PRO 158 CO 0.26 -2.73 1.43 1.58 0.04 0.00 0.00 177.00 177.59 2kkx n HIS 159 N -4.07 2.22 0.25 0.56 -0.00 -0.35 -4.86 115.22 108.96 2kkx n HIS 159 Ca 0.11 0.41 0.10 0.00 -0.00 0.00 0.00 57.72 58.34 2kkx n HIS 159 Cb 0.59 -2.48 0.65 0.00 -0.00 0.00 0.00 29.99 28.76 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 4.39 0.00 0.00 1.57 0.13 -1.95 -0.93 132.00 135.21 2kkx h PRO 160 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kkx h PRO 160 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kkx h PRO 160 CO 0.77 0.15 -0.64 1.28 -0.23 0.00 0.00 178.00 179.33 2kkx n LEU 161 N -3.80 1.72 -0.41 1.56 4.77 -1.26 -4.73 117.00 114.86 2kkx n LEU 161 Ca -0.02 0.50 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 2kkx n LEU 161 Cb 0.26 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2kkx n LEU 161 CO 0.32 -0.41 0.29 1.07 -1.33 0.00 0.00 177.39 177.33 2kkx n THR 162 N -4.40 0.00 -2.25 -5.08 5.66 -1.25 -4.98 114.28 101.97 2kkx n THR 162 Ca -0.09 -0.35 -0.21 0.00 -3.05 0.00 0.00 64.05 60.36 2kkx n THR 162 Cb 0.33 1.21 -0.02 0.00 -1.55 0.00 0.00 70.33 70.30 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 0.00 -1.62 -1.88 1.09 5.12 -0.35 -4.95 116.66 114.06 2kkx n ARG 163 Ca 0.07 1.05 -0.31 0.00 -1.93 0.00 0.00 57.85 56.73 2kkx n ARG 163 Cb 0.36 -5.66 0.01 0.00 -1.16 0.00 0.00 32.46 26.01 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 -4.81 3.60 -0.25 5.56 0.41 -1.26 -4.52 118.70 117.44 2kkx s GLU 164 Ca 0.00 0.74 -0.29 0.00 -0.41 0.00 0.00 54.97 55.01 2kkx s GLU 164 Cb 0.00 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.24 2kkx s GLU 164 CO 0.00 -0.56 1.77 -1.25 -0.49 0.00 0.00 175.26 174.73 2kkx s PRO 165 N -5.17 3.57 0.21 0.39 0.04 -1.26 -1.21 135.00 131.56 2kkx s PRO 165 Ca 0.55 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 2kkx s PRO 165 Cb -0.11 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 2kkx s PRO 165 CO 0.54 -1.58 1.59 0.42 0.04 0.00 0.00 177.00 178.01 2kkx s ILE 166 N 6.14 2.36 0.13 0.56 1.01 -1.26 -4.95 121.20 125.19 2kkx s ILE 166 Ca 0.79 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 61.62 2kkx s ILE 166 Cb -0.26 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2kkx s ILE 166 CO 0.32 0.03 0.25 0.28 0.00 0.00 0.00 174.94 175.83 2kkx s THR 167 N 0.75 0.10 0.31 2.92 -1.32 -1.26 -5.03 115.64 112.11 2kkx s THR 167 Ca 0.68 -1.24 0.32 0.00 -1.21 0.00 0.00 61.69 60.25 2kkx s THR 167 Cb -0.46 -1.58 0.35 0.00 -1.51 0.00 0.00 72.50 69.30 2kkx s THR 167 CO 0.37 -0.45 2.06 0.00 -2.21 0.00 0.00 174.62 174.39 2kkx h ALA 168 N 2.61 1.09 -0.42 11.08 0.00 -1.93 -3.05 119.26 128.64 2kkx h ALA 168 Ca -0.33 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2kkx h ALA 168 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kkx h ALA 168 CO 0.51 0.09 -0.23 1.03 0.00 0.00 0.00 179.25 180.66 2kkx h SER 169 N 0.00 0.93 0.54 0.00 0.87 -1.98 -3.23 113.55 110.67 2kkx h SER 169 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2kkx h SER 169 Cb 0.39 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2kkx h SER 169 CO 0.01 1.14 -0.18 2.30 -0.53 0.00 0.00 176.83 179.57 2kkx n ILE 170 N -4.18 0.00 -3.66 2.23 -5.35 -1.16 -4.81 119.36 102.43 2kkx n ILE 170 Ca -0.01 -0.04 -0.36 0.00 -0.27 0.00 0.00 62.75 62.07 2kkx n ILE 170 Cb 0.45 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.19 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 -2.71 5.36 0.38 7.28 2.07 -1.22 -0.60 121.20 131.75 2kkx s ILE 171 Ca 0.21 0.39 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 2kkx s ILE 171 Cb 0.19 -3.54 -0.03 0.00 0.13 0.00 0.00 42.46 39.22 2kkx s ILE 171 CO 0.54 0.47 0.18 0.68 -1.91 0.00 0.00 174.94 174.90 2kkx s VAL 172 N 0.01 0.37 0.36 4.00 -7.23 -0.22 -4.96 120.40 112.72 2kkx s VAL 172 Ca 0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2kkx s VAL 172 Cb -0.12 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2kkx s VAL 172 CO 0.03 0.00 0.38 -0.54 -0.31 0.00 0.00 175.10 174.65 2kkx s LYS 173 N -3.64 2.79 0.33 4.82 3.01 -1.26 -3.62 119.74 122.18 2kkx s LYS 173 Ca 0.30 -1.27 0.26 0.00 -1.01 0.00 0.00 55.97 54.26 2kkx s LYS 173 Cb 0.03 -2.57 1.06 0.00 -1.01 0.00 0.00 37.83 35.34 2kkx s LYS 173 CO 0.19 -0.00 1.79 1.12 0.51 0.00 0.00 175.35 178.95 2kkx h HIS 174 N 1.07 0.00 0.13 3.18 2.07 -1.83 -0.48 115.15 119.28 2kkx h HIS 174 Ca -0.44 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.81 2kkx h HIS 174 Cb 1.26 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.25 2kkx h HIS 174 CO 0.49 0.00 -1.23 0.93 -3.07 0.00 0.00 177.93 175.05 2kkx h GLU 175 N 0.00 0.30 0.00 5.12 3.07 -1.95 -3.38 114.58 117.73 2kkx h GLU 175 Ca 0.00 -0.49 -0.07 0.00 -0.50 0.00 0.00 59.36 58.30 2kkx h GLU 175 Cb 0.43 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2kkx h GLU 175 CO 0.00 1.22 -0.65 1.49 -1.40 0.00 0.00 179.01 179.68 2kkx h GLU 176 N 0.09 0.00 -6.47 2.33 4.81 -1.72 -3.44 114.58 110.18 2kkx h GLU 176 Ca -0.14 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.40 2kkx h GLU 176 Cb 1.95 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 31.09 2kkx h GLU 176 CO 0.20 0.25 -0.80 0.00 -0.73 0.00 0.00 179.01 177.94 2kkx s ILE 178 N -0.80 0.32 0.23 0.00 -0.00 -0.24 -4.66 121.20 116.06 2kkx s ILE 178 Ca 0.13 -1.90 -0.30 0.00 -0.00 0.00 0.00 60.65 58.58 2kkx s ILE 178 Cb -0.10 -1.89 -0.09 0.00 -0.00 0.00 0.00 42.46 40.37 2kkx s ILE 178 CO 0.02 -0.64 1.22 -0.72 -0.00 0.00 0.00 174.94 174.82 2kkx s TYR 179 N -3.88 3.36 -0.08 1.37 1.13 -1.26 -0.77 117.35 117.22 2kkx s TYR 179 Ca 0.19 1.44 0.05 0.00 -1.41 0.00 0.00 57.07 57.33 2kkx s TYR 179 Cb 0.07 -3.47 -0.01 0.00 -1.10 0.00 0.00 41.96 37.45 2kkx s TYR 179 CO -0.01 -1.31 -0.24 0.34 -2.51 0.00 0.00 175.55 171.83 2kkx s ASP 180 N -0.15 3.17 -0.04 -0.18 -1.08 -0.44 -4.87 116.67 113.06 2kkx s ASP 180 Ca 0.51 -0.51 -0.25 0.00 -0.52 0.00 0.00 52.55 51.78 2kkx s ASP 180 Cb -0.34 -1.13 -0.20 0.00 -1.46 0.00 0.00 42.92 39.79 2kkx s ASP 180 CO 0.41 0.21 1.09 -0.78 0.52 0.00 0.00 175.17 176.62 2kkx h ASP 181 N 6.35 -0.06 1.10 -0.34 3.58 -1.96 -0.39 116.42 124.70 2kkx h ASP 181 Ca -0.26 -0.51 -0.04 0.00 0.42 0.00 0.00 57.03 56.63 2kkx h ASP 181 Cb 1.20 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2kkx h ASP 181 CO 0.48 0.51 -0.21 0.00 -2.88 0.00 0.00 179.24 177.13 2kkx h THR 182 N -0.67 0.48 0.10 2.25 1.03 -1.97 -1.94 112.91 112.19 2kkx h THR 182 Ca -0.01 -1.17 -0.27 0.00 -0.01 0.00 0.00 66.41 64.95 2kkx h THR 182 Cb 0.57 1.84 -0.01 0.00 -1.07 0.00 0.00 68.15 69.48 2kkx h THR 182 CO 0.01 0.21 -1.26 0.03 -0.01 0.00 0.00 175.52 174.50 2kkx h ARG 183 N 0.00 0.21 -1.01 0.00 2.47 -2.01 -3.48 114.38 110.56 2kkx h ARG 183 Ca -0.00 -0.35 -0.22 0.00 -1.26 0.00 0.00 59.98 58.14 2kkx h ARG 183 Cb 0.82 0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.22 2kkx h ARG 183 CO 0.03 1.14 -0.24 0.41 0.56 0.00 0.00 179.97 181.87 2kkx n GLY 184 N 1.52 0.59 3.14 0.04 0.00 -0.20 -5.02 105.19 105.26 2kkx n GLY 184 Ca -0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.71 -0.11 -0.14 1.61 0.02 -0.95 -4.97 114.94 107.68 2kkx s ASN 185 Ca 0.00 0.07 -0.29 0.00 -1.02 0.00 0.00 52.86 51.62 2kkx s ASN 185 Cb 0.00 0.31 -0.04 0.00 0.02 0.00 0.00 41.25 41.54 2kkx s ASN 185 CO 0.00 -0.30 1.74 -0.36 0.02 0.00 0.00 177.10 178.20 2kkx s PHE 186 N -0.91 1.86 0.45 2.20 0.08 -1.26 -1.33 117.98 119.07 2kkx s PHE 186 Ca -0.10 0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.30 2kkx s PHE 186 Cb -0.05 -3.99 -0.02 0.00 -0.57 0.00 0.00 43.02 38.39 2kkx s PHE 186 CO 0.02 -3.64 0.10 0.96 -0.10 0.00 0.00 175.22 172.56 2kkx s ILE 187 N 5.13 0.71 0.29 0.64 -4.36 0.05 -1.05 121.20 122.61 2kkx s ILE 187 Ca 0.77 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 59.00 2kkx s ILE 187 Cb -0.30 -2.25 -0.09 0.00 1.25 0.00 0.00 42.46 41.07 2kkx s ILE 187 CO 0.31 0.00 0.73 -0.63 0.24 0.00 0.00 174.94 175.59 2kkx s ILE 188 N -3.10 4.65 0.75 8.37 -1.09 -1.26 -1.08 121.20 128.45 2kkx s ILE 188 Ca 0.17 1.05 -0.15 0.00 -2.23 0.00 0.00 60.65 59.49 2kkx s ILE 188 Cb 0.02 -3.69 0.05 0.00 -1.58 0.00 0.00 42.46 37.26 2kkx s ILE 188 CO 0.11 -0.06 1.23 -0.54 -1.23 0.00 0.00 174.94 174.45 2kkx s LYS 189 N -2.67 1.95 -1.45 2.79 1.02 -0.76 -4.87 119.74 115.75 2kkx s LYS 189 Ca 0.51 1.85 -0.09 0.00 0.02 0.00 0.00 55.97 58.26 2kkx s LYS 189 Cb -0.12 -1.80 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2kkx s LYS 189 CO 0.18 -2.00 2.51 0.41 -0.92 0.00 0.00 175.35 175.53 2kkx n GLY 190 N 0.61 4.67 3.53 -3.33 0.00 -1.26 -5.08 105.19 104.33 2kkx n GLY 190 Ca 0.14 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31