#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1r n GLY 2 N 0.00 -1.67 3.23 3.03 0.00 -1.26 -5.10 105.19 103.42 2k1r n GLY 2 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 2k1r n GLY 2 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1r s VAL 3 N -1.87 0.01 -0.26 1.61 -7.23 -1.26 -4.74 120.40 106.66 2k1r s VAL 3 Ca 0.00 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 2k1r s VAL 3 Cb 0.00 -0.50 0.07 0.00 0.56 0.00 0.00 36.38 36.51 2k1r s VAL 3 CO 0.00 -0.05 -0.01 0.20 -0.31 0.00 0.00 175.10 174.93 2k1r s ASN 4 N -0.09 3.99 0.24 4.85 -0.87 -0.14 -4.98 114.94 117.94 2k1r s ASN 4 Ca -0.02 -1.39 -0.30 0.00 -1.57 0.00 0.00 52.86 49.57 2k1r s ASN 4 Cb -0.03 -1.17 -0.09 0.00 -0.02 0.00 0.00 41.25 39.94 2k1r s ASN 4 CO 0.01 -0.29 1.05 -0.94 -2.57 0.00 0.00 177.10 174.36 2k1r s SER 5 N 1.37 7.39 0.28 -1.22 1.04 -1.26 -1.08 113.70 120.23 2k1r s SER 5 Ca -0.00 2.11 -0.18 0.00 0.48 0.00 0.00 55.95 58.36 2k1r s SER 5 Cb -0.19 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.33 2k1r s SER 5 CO -0.10 -0.07 0.64 0.54 0.98 0.00 0.00 173.24 175.24 2k1r s VAL 6 N -0.90 0.00 0.12 5.02 0.11 0.19 -4.99 120.40 119.95 2k1r s VAL 6 Ca 0.45 -1.14 0.09 0.00 -2.93 0.00 0.00 61.98 58.44 2k1r s VAL 6 Cb -0.29 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2k1r s VAL 6 CO 0.36 0.00 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.03 2k1r s THR 7 N -3.79 1.87 -0.08 5.04 2.01 -0.74 -1.72 115.64 118.23 2k1r s THR 7 Ca 0.15 -1.67 -0.00 0.00 0.31 0.00 0.00 61.69 60.48 2k1r s THR 7 Cb -0.04 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.77 2k1r s THR 7 CO 0.08 -0.08 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.27 2k1r s ILE 8 N -1.32 0.65 -0.55 1.82 1.01 0.34 -0.58 121.20 122.57 2k1r s ILE 8 Ca 0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 2k1r s ILE 8 Cb -0.09 -0.72 -0.18 0.00 0.01 0.00 0.00 42.46 41.48 2k1r s ILE 8 CO 0.05 0.29 3.08 -1.20 0.00 0.00 0.00 174.94 177.16 2k1r n SER 9 N 4.71 5.85 -4.55 3.58 7.64 -0.89 -0.46 113.62 129.51 2k1r n SER 9 Ca -0.14 -2.42 -0.40 0.00 1.01 0.00 0.00 58.87 56.91 2k1r n SER 9 Cb 0.50 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.33 2k1r n SER 9 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k1r n VAL 10 N 3.01 0.09 -0.03 0.44 0.31 -1.20 -4.66 118.33 116.29 2k1r n VAL 10 Ca 0.50 -0.58 -0.15 0.00 -0.01 0.00 0.00 64.34 64.10 2k1r n VAL 10 Cb 0.58 -2.45 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k1r h GLU 11 N 16.85 0.31 -0.01 5.55 4.39 -1.52 -3.31 114.58 136.83 2k1r h GLU 11 Ca -0.29 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2k1r h GLU 11 Cb 1.27 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2k1r h GLU 11 CO 1.09 0.92 -0.03 0.41 -1.16 0.00 0.00 179.01 180.24 2k1r n GLY 12 N 0.77 -0.30 3.75 -3.84 0.00 -1.26 -4.85 105.19 99.46 2k1r n GLY 12 Ca -0.09 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2k1r n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k1r s MET 13 N -2.07 4.41 0.00 1.61 -2.45 -1.26 -4.94 119.30 114.59 2k1r s MET 13 Ca 0.38 0.89 0.00 0.00 -1.25 0.00 0.00 55.69 55.71 2k1r s MET 13 Cb 0.21 -3.36 0.00 0.00 1.25 0.00 0.00 34.83 32.93 2k1r s MET 13 CO 0.37 0.30 0.00 -2.37 1.05 0.00 0.00 175.02 174.37 2k1r n THR 14 N 2.86 0.00 0.00 10.11 5.66 -1.26 -4.71 114.28 126.94 2k1r n THR 14 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2k1r n THR 14 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1r h ASN 16 N 0.00 0.04 0.00 0.00 -0.73 -2.03 -3.46 115.58 109.41 2k1r h ASN 16 Ca 0.00 -0.64 0.00 0.00 1.87 0.00 0.00 56.30 57.53 2k1r h ASN 16 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.58 2k1r h ASN 16 CO 0.00 1.43 0.00 -1.54 -0.37 0.00 0.00 177.43 176.95 2k1r n SER 17 N -4.39 0.00 -0.10 1.15 3.41 -1.26 -4.69 113.62 107.74 2k1r n SER 17 Ca -0.28 -1.00 -0.08 0.00 -0.26 0.00 0.00 58.87 57.25 2k1r n SER 17 Cb 0.68 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2k1r n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k1r h VAL 19 N -0.27 0.26 -0.39 0.00 -1.51 -1.88 -1.46 116.25 111.00 2k1r h VAL 19 Ca 0.16 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.55 2k1r h VAL 19 Cb 0.54 0.26 -0.02 0.00 -2.13 0.00 0.00 31.29 29.94 2k1r h VAL 19 CO -0.51 0.00 -0.10 -0.25 -1.23 0.00 0.00 177.57 175.48 2k1r h TRP 20 N -0.03 0.74 -0.40 5.19 7.01 -1.76 -3.05 115.95 123.65 2k1r h TRP 20 Ca 0.33 -0.12 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 2k1r h TRP 20 Cb 0.53 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2k1r h TRP 20 CO -0.59 0.75 0.10 1.15 -2.79 0.00 0.00 178.44 177.06 2k1r h THR 21 N 0.62 1.18 -0.59 2.65 2.02 0.05 -2.46 112.91 116.38 2k1r h THR 21 Ca 0.11 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.69 2k1r h THR 21 Cb 0.53 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2k1r h THR 21 CO 0.03 0.23 0.34 0.40 0.37 0.00 0.00 175.52 176.89 2k1r h ILE 22 N 0.58 1.02 -0.20 3.11 1.08 -1.35 -0.56 117.51 121.20 2k1r h ILE 22 Ca 0.14 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 64.31 2k1r h ILE 22 Cb 0.22 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2k1r h ILE 22 CO -0.00 0.12 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.31 2k1r h GLU 23 N 0.66 0.33 0.26 2.37 4.22 -1.55 0.11 114.58 120.98 2k1r h GLU 23 Ca 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 2k1r h GLU 23 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k1r h GLU 23 CO -0.13 0.51 -0.12 1.96 -2.18 0.00 0.00 179.01 179.04 2k1r h GLN 24 N 0.31 -0.34 -0.14 1.92 1.08 -1.08 -2.22 115.11 114.64 2k1r h GLN 24 Ca 0.06 0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.09 2k1r h GLN 24 Cb 0.50 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2k1r h GLN 24 CO 0.03 0.01 -0.65 1.96 -0.95 0.00 0.00 178.83 179.23 2k1r h GLN 25 N -0.75 0.69 -0.10 1.46 1.08 -0.98 -2.64 115.11 113.87 2k1r h GLN 25 Ca -0.04 -0.55 -0.14 0.00 -1.45 0.00 0.00 58.65 56.47 2k1r h GLN 25 Cb 0.50 0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2k1r h GLN 25 CO 0.06 1.17 -0.49 0.97 -0.95 0.00 0.00 178.83 179.59 2k1r h ILE 26 N 0.37 1.37 -0.01 2.54 2.10 -1.14 -3.23 117.51 119.51 2k1r h ILE 26 Ca -0.04 -1.83 0.00 0.00 1.08 0.00 0.00 64.86 64.08 2k1r h ILE 26 Cb 1.28 2.22 -0.00 0.00 -1.09 0.00 0.00 36.82 39.23 2k1r h ILE 26 CO 0.13 0.55 0.09 1.23 -1.08 0.00 0.00 178.15 179.07 2k1r h GLY 27 N 0.09 0.00 2.00 8.18 0.00 -1.47 -1.63 103.07 110.25 2k1r h GLY 27 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2k1r h GLY 27 CO 0.10 0.00 -0.05 1.70 0.00 0.00 0.00 176.54 178.29 2k1r h LYS 28 N 0.00 0.00 0.00 4.80 1.63 -1.48 -3.24 116.57 118.28 2k1r h LYS 28 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2k1r h LYS 28 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2k1r h LYS 28 CO -0.00 0.05 -0.10 0.28 -3.45 0.00 0.00 179.45 176.23 2k1r n VAL 29 N -4.12 0.22 0.00 2.00 0.31 -0.61 -4.93 118.33 111.20 2k1r n VAL 29 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2k1r n VAL 29 Cb 0.13 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 2k1r n VAL 29 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2k1r n ASN 30 N -1.80 0.00 0.11 4.52 5.15 -1.22 -4.73 115.26 117.29 2k1r n ASN 30 Ca 0.06 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.17 2k1r n ASN 30 Cb 0.38 -0.12 0.28 0.00 -0.53 0.00 0.00 39.78 39.78 2k1r n ASN 30 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k1r h GLY 31 N 0.00 0.00 -5.19 8.20 0.00 -1.88 -3.44 103.07 100.76 2k1r h GLY 31 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2k1r h GLY 31 CO 0.00 0.00 0.96 0.14 0.00 0.00 0.00 176.54 177.64 2k1r s VAL 32 N -3.15 4.05 0.01 4.60 1.01 -1.26 -0.31 120.40 125.35 2k1r s VAL 32 Ca 0.08 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.36 2k1r s VAL 32 Cb 0.11 -3.82 -0.25 0.00 0.00 0.00 0.00 36.38 32.42 2k1r s VAL 32 CO 0.66 -0.11 0.89 -0.74 0.00 0.00 0.00 175.10 175.79 2k1r h HIS 33 N 8.64 0.24 -2.23 5.22 2.76 -0.89 -3.47 115.15 125.43 2k1r h HIS 33 Ca -0.31 -0.18 -0.04 0.00 -2.20 0.00 0.00 60.37 57.64 2k1r h HIS 33 Cb 1.13 -0.01 -0.22 0.00 1.55 0.00 0.00 27.41 29.85 2k1r h HIS 33 CO 0.83 1.22 -0.05 -1.58 -1.30 0.00 0.00 177.93 177.05 2k1r s HIS 34 N -2.63 -0.82 -0.10 5.26 2.46 -0.97 -4.99 115.29 113.51 2k1r s HIS 34 Ca -0.06 1.77 0.04 0.00 0.47 0.00 0.00 55.06 57.28 2k1r s HIS 34 Cb 0.08 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 2k1r s HIS 34 CO 0.84 -0.41 -0.23 -1.50 -2.47 0.00 0.00 174.74 170.97 2k1r s ILE 35 N 1.05 1.97 0.06 0.89 -1.16 -1.26 -1.03 121.20 121.72 2k1r s ILE 35 Ca -0.06 -0.97 0.06 0.00 -0.51 0.00 0.00 60.65 59.17 2k1r s ILE 35 Cb -0.05 -1.71 -0.03 0.00 0.61 0.00 0.00 42.46 41.28 2k1r s ILE 35 CO -0.10 0.54 -0.17 -0.75 -2.81 0.00 0.00 174.94 171.65 2k1r s LYS 36 N 0.36 1.04 0.00 3.50 2.20 -0.02 -5.03 119.74 121.79 2k1r s LYS 36 Ca -0.18 -0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 54.50 2k1r s LYS 36 Cb -0.18 -1.12 -0.01 0.00 -1.51 0.00 0.00 37.83 35.02 2k1r s LYS 36 CO 0.08 0.27 0.00 0.14 -0.36 0.00 0.00 175.35 175.49 2k1r s VAL 37 N -1.01 0.04 -0.17 4.02 -7.23 -1.26 -0.79 120.40 114.01 2k1r s VAL 37 Ca 0.03 -0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2k1r s VAL 37 Cb -0.09 -0.14 0.04 0.00 0.56 0.00 0.00 36.38 36.76 2k1r s VAL 37 CO 0.02 -0.20 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.11 2k1r s SER 38 N -0.60 2.93 0.02 4.85 0.01 -0.13 -5.00 113.70 115.78 2k1r s SER 38 Ca -0.07 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 56.54 2k1r s SER 38 Cb -0.04 -0.97 -0.24 0.00 0.21 0.00 0.00 66.02 64.98 2k1r s SER 38 CO -0.00 -0.18 0.90 0.17 0.41 0.00 0.00 173.24 174.54 2k1r h LEU 39 N 8.09 0.16 0.00 2.44 -0.00 -1.89 -1.34 115.31 122.78 2k1r h LEU 39 Ca -0.25 -0.23 -0.23 0.00 -0.00 0.00 0.00 57.88 57.17 2k1r h LEU 39 Cb 1.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.68 2k1r h LEU 39 CO 0.41 1.20 -1.40 -0.33 -0.00 0.00 0.00 178.44 178.32 2k1r h GLU 40 N 0.03 0.00 0.00 0.17 5.08 -1.90 -3.31 114.58 114.65 2k1r h GLU 40 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2k1r h GLU 40 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2k1r h GLU 40 CO 0.12 0.52 -0.03 0.93 -1.00 0.00 0.00 179.01 179.55 2k1r h GLU 41 N 0.00 0.00 -5.87 2.33 5.08 -1.97 -3.49 114.58 110.67 2k1r h GLU 41 Ca -0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.83 2k1r h GLU 41 Cb 1.79 0.00 0.13 0.00 0.50 0.00 0.00 28.75 31.17 2k1r h GLU 41 CO 0.08 0.00 -0.87 1.63 -1.00 0.00 0.00 179.01 178.85 2k1r n LYS 42 N -2.92 -2.97 -3.79 2.33 5.02 -0.55 -5.02 118.16 110.26 2k1r n LYS 42 Ca 0.04 0.68 -0.10 0.00 -2.02 0.00 0.00 58.31 56.91 2k1r n LYS 42 Cb 0.51 -5.14 -0.05 0.00 -0.02 0.00 0.00 35.03 30.33 2k1r n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k1r s ASN 43 N -3.75 -0.18 -0.09 4.39 2.20 -0.95 -3.22 114.94 113.34 2k1r s ASN 43 Ca 0.31 -0.57 0.01 0.00 -0.94 0.00 0.00 52.86 51.67 2k1r s ASN 43 Cb -0.07 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.74 2k1r s ASN 43 CO 0.80 -1.01 -0.09 0.00 -2.94 0.00 0.00 177.10 173.86 2k1r s ALA 44 N -3.89 1.24 -0.10 3.54 0.00 0.39 -0.95 121.76 121.98 2k1r s ALA 44 Ca 0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2k1r s ALA 44 Cb 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2k1r s ALA 44 CO -0.02 -0.15 -0.07 0.99 0.00 0.00 0.00 175.76 176.50 2k1r s THR 45 N 1.19 3.64 -0.17 0.00 2.01 0.03 -0.50 115.64 121.84 2k1r s THR 45 Ca -0.05 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 2k1r s THR 45 Cb -0.14 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 69.90 2k1r s THR 45 CO -0.02 0.56 0.56 -0.51 -0.69 0.00 0.00 174.62 174.51 2k1r s ILE 46 N -0.30 0.01 -0.21 1.82 2.07 -0.70 -0.84 121.20 123.04 2k1r s ILE 46 Ca 0.04 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 2k1r s ILE 46 Cb -0.13 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 2k1r s ILE 46 CO 0.02 -0.02 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.35 2k1r s ILE 47 N -0.06 3.42 0.07 2.00 1.01 -0.20 -0.63 121.20 126.82 2k1r s ILE 47 Ca -0.03 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.20 2k1r s ILE 47 Cb -0.04 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2k1r s ILE 47 CO 0.02 0.44 -0.12 -0.72 0.00 0.00 0.00 174.94 174.56 2k1r s TYR 48 N 1.28 2.72 -0.20 3.97 1.13 -0.24 -0.21 117.35 125.80 2k1r s TYR 48 Ca 0.03 -0.16 -0.28 0.00 -1.41 0.00 0.00 57.07 55.25 2k1r s TYR 48 Cb -0.14 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 39.25 2k1r s TYR 48 CO -0.02 0.38 0.98 0.34 -2.51 0.00 0.00 175.55 174.73 2k1r s ASP 49 N -1.89 7.09 0.01 -0.18 -1.08 0.58 -0.97 116.67 120.23 2k1r s ASP 49 Ca 0.19 1.35 0.10 0.00 -0.52 0.00 0.00 52.55 53.67 2k1r s ASP 49 Cb -0.11 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.27 2k1r s ASP 49 CO 0.10 -0.57 1.33 -0.81 0.52 0.00 0.00 175.17 175.74 2k1r n PRO 50 N 5.87 0.01 0.09 4.34 -0.04 -1.26 -2.37 135.00 141.63 2k1r n PRO 50 Ca 0.10 0.34 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 2k1r n PRO 50 Cb 0.47 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2k1r n PRO 50 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k1r h LYS 51 N 0.00 0.00 -0.03 0.54 1.57 -1.95 -3.39 116.57 113.31 2k1r h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k1r h LYS 51 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2k1r h LYS 51 CO 0.00 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.36 2k1r n LEU 52 N -2.88 1.51 -4.06 2.94 7.99 -1.00 -5.08 117.00 116.42 2k1r n LEU 52 Ca -0.04 -1.18 -0.10 0.00 -0.01 0.00 0.00 56.01 54.68 2k1r n LEU 52 Cb 0.71 -0.01 -0.07 0.00 -0.11 0.00 0.00 43.42 43.94 2k1r n LEU 52 CO 0.41 0.34 0.06 -1.10 -1.51 0.00 0.00 177.39 175.59 2k1r s GLN 53 N -0.45 1.47 0.09 3.23 -1.52 -1.09 -4.28 119.66 117.11 2k1r s GLN 53 Ca 0.05 -1.39 -0.15 0.00 -1.95 0.00 0.00 55.36 51.92 2k1r s GLN 53 Cb 0.03 0.41 0.03 0.00 -0.22 0.00 0.00 33.01 33.26 2k1r s GLN 53 CO 0.05 -0.58 0.36 0.95 -0.25 0.00 0.00 175.29 175.82 2k1r s THR 54 N -4.01 0.08 0.35 -0.19 -4.23 -1.26 -4.74 115.64 101.64 2k1r s THR 54 Ca 0.28 -0.64 0.09 0.00 -1.18 0.00 0.00 61.69 60.24 2k1r s THR 54 Cb 0.02 -1.10 0.32 0.00 1.34 0.00 0.00 72.50 73.08 2k1r s THR 54 CO 0.10 -0.35 1.84 -0.65 -0.54 0.00 0.00 174.62 175.02 2k1r h PRO 55 N 2.72 0.67 0.40 3.99 0.11 -2.01 -0.29 132.00 137.59 2k1r h PRO 55 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2k1r h PRO 55 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2k1r h PRO 55 CO 0.47 0.44 -0.39 -0.22 -0.21 0.00 0.00 178.00 178.09 2k1r h LYS 56 N 0.69 -0.78 0.00 1.05 3.64 -1.99 -2.32 116.57 116.86 2k1r h LYS 56 Ca 0.49 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.89 2k1r h LYS 56 Cb 0.84 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2k1r h LYS 56 CO -0.25 -0.52 -0.20 1.15 -2.27 0.00 0.00 179.45 177.35 2k1r h THR 57 N -0.81 1.05 0.51 1.00 2.02 -1.76 0.57 112.91 115.49 2k1r h THR 57 Ca -0.03 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 2k1r h THR 57 Cb 0.72 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2k1r h THR 57 CO -0.06 0.20 -0.31 -0.07 0.37 0.00 0.00 175.52 175.65 2k1r h LEU 58 N 0.00 -0.79 -1.36 2.58 4.07 -1.01 -1.29 115.31 117.51 2k1r h LEU 58 Ca -0.00 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2k1r h LEU 58 Cb 0.38 0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 2k1r h LEU 58 CO 0.03 -0.50 0.30 1.56 -1.08 0.00 0.00 178.44 178.75 2k1r h GLN 59 N -0.79 0.74 -0.07 1.13 4.20 -0.84 -2.93 115.11 116.55 2k1r h GLN 59 Ca -0.06 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 2k1r h GLN 59 Cb 0.64 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2k1r h GLN 59 CO 0.06 0.54 -0.46 0.93 -0.67 0.00 0.00 178.83 179.23 2k1r h GLU 60 N 0.75 0.17 0.00 1.46 4.39 -0.73 -1.65 114.58 118.98 2k1r h GLU 60 Ca 0.19 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2k1r h GLU 60 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2k1r h GLU 60 CO -0.03 0.60 -0.47 0.00 -1.16 0.00 0.00 179.01 177.94 2k1r h ALA 61 N 1.39 1.19 -0.04 3.43 0.00 -1.05 -2.18 119.26 122.00 2k1r h ALA 61 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2k1r h ALA 61 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k1r h ALA 61 CO 0.07 0.59 -0.24 0.82 0.00 0.00 0.00 179.25 180.48 2k1r h ILE 62 N 0.00 1.47 0.00 0.00 1.08 -1.43 -3.31 117.51 115.31 2k1r h ILE 62 Ca -0.00 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 2k1r h ILE 62 Cb 0.85 2.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 2k1r h ILE 62 CO 0.06 0.48 0.00 -0.67 -0.69 0.00 0.00 178.15 177.33 2k1r n ASP 63 N -4.51 0.00 -0.27 1.72 2.03 -0.64 -2.28 116.55 112.60 2k1r n ASP 63 Ca -0.09 -0.15 -0.03 0.00 0.52 0.00 0.00 54.79 55.04 2k1r n ASP 63 Cb 0.47 -0.19 0.13 0.00 -0.72 0.00 0.00 41.12 40.81 2k1r n ASP 63 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k1r h ASP 64 N 0.00 1.02 0.00 1.67 3.58 -1.48 -3.42 116.42 117.78 2k1r h ASP 64 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2k1r h ASP 64 Cb 0.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2k1r h ASP 64 CO 0.00 0.84 0.00 1.15 -2.88 0.00 0.00 179.24 178.35 2k1r n MET 65 N -4.33 0.00 -2.72 0.28 0.00 -0.96 -5.07 117.12 104.31 2k1r n MET 65 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.70 2k1r n MET 65 Cb 0.12 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.44 2k1r n MET 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k1r n GLY 66 N 5.00 0.65 3.25 3.17 0.00 -1.26 -5.14 105.19 110.86 2k1r n GLY 66 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2k1r n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k1r s PHE 67 N 0.24 1.53 0.17 1.61 0.08 -1.26 -4.92 117.98 115.43 2k1r s PHE 67 Ca 0.22 -0.49 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 2k1r s PHE 67 Cb 0.31 -0.81 -0.08 0.00 -0.57 0.00 0.00 43.02 41.87 2k1r s PHE 67 CO -0.06 0.17 0.73 -0.51 -0.10 0.00 0.00 175.22 175.45 2k1r s ASP 68 N -2.20 7.25 -0.26 1.36 1.01 -1.26 -4.45 116.67 118.12 2k1r s ASP 68 Ca 0.07 1.53 -0.08 0.00 0.71 0.00 0.00 52.55 54.78 2k1r s ASP 68 Cb -0.07 -2.46 0.12 0.00 1.01 0.00 0.00 42.92 41.52 2k1r s ASP 68 CO 0.04 0.17 0.54 0.00 0.21 0.00 0.00 175.17 176.13 2k1r s ALA 69 N -1.24 -1.66 -0.01 5.23 0.00 -1.26 -1.78 121.76 121.04 2k1r s ALA 69 Ca 0.36 1.90 0.03 0.00 0.00 0.00 0.00 51.96 54.26 2k1r s ALA 69 Cb -0.21 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2k1r s ALA 69 CO 0.24 -0.91 -0.11 0.08 0.00 0.00 0.00 175.76 175.05 2k1r s VAL 70 N 2.76 0.89 0.29 0.00 1.01 -1.26 -4.94 120.40 119.16 2k1r s VAL 70 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2k1r s VAL 70 Cb -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 2k1r s VAL 70 CO -0.16 0.25 1.11 -0.63 0.00 0.00 0.00 175.10 175.67 2k1r s ILE 71 N -0.24 3.45 0.30 2.22 -1.09 -1.26 -2.08 121.20 122.49 2k1r s ILE 71 Ca 0.04 1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 59.83 2k1r s ILE 71 Cb -0.05 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2k1r s ILE 71 CO -0.00 0.32 0.51 1.57 -1.23 0.00 0.00 174.94 176.10 2k1r n HIS 72 N 1.07 -1.66 -0.04 3.97 -0.00 0.25 -4.91 115.22 113.89 2k1r n HIS 72 Ca -0.01 -1.70 0.00 0.00 0.46 0.00 0.00 57.72 56.48 2k1r n HIS 72 Cb 0.45 0.59 0.00 0.00 -0.12 0.00 0.00 29.99 30.90 2k1r n HIS 72 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89