#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 3.25 3.13 -5.12 0.00 -1.26 -5.17 105.19 100.02 2k1r n GLY 2 Ca 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.98 0.04 0.03 1.61 -7.23 -1.26 -4.67 120.40 107.94 2k1r s VAL 3 Ca 0.06 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 59.98 2k1r s VAL 3 Cb -0.01 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 2k1r s VAL 3 CO 0.04 -0.16 -0.12 0.21 -0.31 0.00 0.00 175.10 174.75 2k1r s ASN 4 N -0.59 1.46 -0.09 4.85 3.84 -0.48 -4.90 114.94 119.02 2k1r s ASN 4 Ca -0.07 -0.43 -0.04 0.00 0.21 0.00 0.00 52.86 52.53 2k1r s ASN 4 Cb -0.04 -0.09 0.05 0.00 -0.55 0.00 0.00 41.25 40.62 2k1r s ASN 4 CO 0.01 0.01 0.19 -0.44 -2.79 0.00 0.00 177.10 174.09 2k1r s SER 5 N -1.08 0.39 0.01 -4.21 0.01 -1.26 -1.15 113.70 106.41 2k1r s SER 5 Ca 0.00 0.42 -0.21 0.00 1.31 0.00 0.00 55.95 57.47 2k1r s SER 5 Cb -0.07 0.38 0.04 0.00 0.21 0.00 0.00 66.02 66.58 2k1r s SER 5 CO 0.01 -0.22 0.46 0.54 0.41 0.00 0.00 173.24 174.44 2k1r s VAL 6 N 2.02 0.04 -0.02 3.43 0.11 -0.59 -5.02 120.40 120.37 2k1r s VAL 6 Ca -0.01 -0.32 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 2k1r s VAL 6 Cb -0.12 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2k1r s VAL 6 CO -0.07 -0.18 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.41 2k1r s THR 7 N -1.83 1.80 -0.07 5.04 2.01 -1.26 -1.28 115.64 120.05 2k1r s THR 7 Ca -0.09 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.95 2k1r s THR 7 Cb -0.02 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 71.01 2k1r s THR 7 CO 0.03 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.72 2k1r s ILE 8 N -0.53 1.07 -0.09 1.82 1.01 0.44 -1.03 121.20 123.89 2k1r s ILE 8 Ca 0.09 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2k1r s ILE 8 Cb -0.09 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2k1r s ILE 8 CO -0.01 0.34 1.49 -0.55 0.00 0.00 0.00 174.94 176.22 2k1r s SER 9 N 0.74 6.78 -0.91 3.58 0.15 0.69 -0.16 113.70 124.58 2k1r s SER 9 Ca -0.13 2.03 -0.13 0.00 0.70 0.00 0.00 55.95 58.41 2k1r s SER 9 Cb -0.15 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 61.84 2k1r s SER 9 CO 0.03 -0.85 0.90 -0.69 1.20 0.00 0.00 173.24 173.83 2k1r s VAL 10 N 3.69 5.59 0.50 4.45 1.01 0.61 -0.54 120.40 135.71 2k1r s VAL 10 Ca 0.66 -2.59 0.25 0.00 0.00 0.00 0.00 61.98 60.30 2k1r s VAL 10 Cb -0.29 -4.54 0.42 0.00 0.00 0.00 0.00 36.38 31.97 2k1r s VAL 10 CO 0.24 -1.13 1.93 -0.33 0.00 0.00 0.00 175.10 175.81 2k1r h GLU 11 N 7.63 0.11 -0.02 2.72 4.39 -1.44 -1.21 114.58 126.76 2k1r h GLU 11 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2k1r h GLU 11 Cb 1.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2k1r h GLU 11 CO 0.85 0.07 -0.06 0.41 -1.16 0.00 0.00 179.01 179.13 2k1r n GLY 12 N -1.63 -0.02 3.73 -3.84 0.00 -1.25 -4.95 105.19 97.23 2k1r n GLY 12 Ca 0.15 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.10 4.56 0.00 1.61 0.00 -0.46 -4.87 119.30 118.04 2k1r s MET 13 Ca 0.34 1.64 0.00 0.00 0.00 0.00 0.00 55.69 57.67 2k1r s MET 13 Cb 0.21 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.69 2k1r s MET 13 CO 0.37 -0.01 0.00 -2.37 0.00 0.00 0.00 175.02 173.01 2k1r n THR 14 N 3.11 0.00 -4.29 10.11 5.66 -1.26 -4.58 114.28 123.03 2k1r n THR 14 Ca 0.05 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.73 2k1r n THR 14 Cb 0.47 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.17 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1r n ASN 16 N 1.31 0.00 -0.00 0.00 5.15 -1.26 -2.67 115.26 117.79 2k1r n ASN 16 Ca -0.14 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 2k1r n ASN 16 Cb 0.53 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.77 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2k1r n SER 17 N -0.98 4.52 -0.29 1.20 3.41 -1.26 -4.37 113.62 115.85 2k1r n SER 17 Ca 0.18 -0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 2k1r n SER 17 Cb 0.08 1.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.15 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 0.93 1.09 -0.44 0.00 -1.51 -1.74 0.11 116.25 114.67 2k1r h VAL 19 Ca 0.34 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.50 2k1r h VAL 19 Cb 0.11 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 29.48 2k1r h VAL 19 CO -0.15 0.14 0.14 -0.25 -1.23 0.00 0.00 177.57 176.22 2k1r h TRP 20 N 0.78 0.72 -0.35 5.19 7.01 -1.65 -2.01 115.95 125.64 2k1r h TRP 20 Ca 0.27 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.24 2k1r h TRP 20 Cb 0.09 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2k1r h TRP 20 CO -0.00 0.65 0.11 1.15 -2.79 0.00 0.00 178.44 177.56 2k1r h THR 21 N 0.58 0.89 0.12 2.65 2.02 -0.36 -2.18 112.91 116.62 2k1r h THR 21 Ca 0.14 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.26 2k1r h THR 21 Cb 0.27 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2k1r h THR 21 CO -0.00 0.05 -0.31 0.40 0.37 0.00 0.00 175.52 176.02 2k1r h ILE 22 N 0.25 0.33 -1.01 3.11 1.08 -0.91 -1.05 117.51 119.32 2k1r h ILE 22 Ca 0.16 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.75 2k1r h ILE 22 Cb 0.14 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 34.14 2k1r h ILE 22 CO -0.17 0.00 0.63 -0.08 -0.69 0.00 0.00 178.15 177.84 2k1r h GLU 23 N -0.53 0.97 -0.02 2.37 4.81 -0.93 0.83 114.58 122.08 2k1r h GLU 23 Ca 0.03 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 2k1r h GLU 23 Cb 0.56 -0.22 0.02 0.00 0.63 0.00 0.00 28.75 29.74 2k1r h GLU 23 CO -0.19 0.64 -1.01 1.96 -0.73 0.00 0.00 179.01 179.69 2k1r h GLN 24 N 1.00 0.69 -0.04 1.92 1.08 -1.25 -1.44 115.11 117.07 2k1r h GLN 24 Ca 0.50 -0.72 -0.21 0.00 -1.45 0.00 0.00 58.65 56.76 2k1r h GLN 24 Cb 0.49 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2k1r h GLN 24 CO -0.27 1.30 -0.86 1.96 -0.95 0.00 0.00 178.83 180.01 2k1r h GLN 25 N 0.40 0.46 -0.07 1.46 1.08 -0.53 -2.57 115.11 115.34 2k1r h GLN 25 Ca -0.12 -0.44 -0.02 0.00 -1.45 0.00 0.00 58.65 56.62 2k1r h GLN 25 Cb 1.66 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 29.20 2k1r h GLN 25 CO 0.20 1.09 -0.04 0.82 -0.95 0.00 0.00 178.83 179.95 2k1r h ILE 26 N 0.28 1.33 0.00 2.54 1.08 -1.00 -3.04 117.51 118.70 2k1r h ILE 26 Ca -0.06 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 2k1r h ILE 26 Cb 1.48 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 2k1r h ILE 26 CO 0.15 0.29 0.00 0.61 -0.69 0.00 0.00 178.15 178.52 2k1r n GLY 27 N 0.03 -0.08 0.02 5.37 0.00 -0.54 -0.69 105.19 109.30 2k1r n GLY 27 Ca -0.07 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2k1r n GLY 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k1r n LYS 28 N -0.95 0.14 -3.25 1.61 4.81 -0.97 -4.72 118.16 114.83 2k1r n LYS 28 Ca 0.02 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.01 2k1r n LYS 28 Cb 0.01 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.45 2k1r n LYS 28 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k1r s VAL 29 N -3.09 5.04 0.42 3.15 1.01 0.13 -4.97 120.40 122.08 2k1r s VAL 29 Ca 0.07 -0.95 0.29 0.00 0.00 0.00 0.00 61.98 61.39 2k1r s VAL 29 Cb 0.16 -4.29 0.46 0.00 0.00 0.00 0.00 36.38 32.71 2k1r s VAL 29 CO 0.78 -0.81 1.59 -1.13 0.00 0.00 0.00 175.10 175.52 2k1r h ASN 30 N 8.94 0.24 0.35 3.32 -0.73 -1.84 -1.10 115.58 124.75 2k1r h ASN 30 Ca -0.29 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.06 2k1r h ASN 30 Cb 1.10 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.87 2k1r h ASN 30 CO 0.98 -0.29 0.00 0.61 -0.37 0.00 0.00 177.43 178.36 2k1r n GLY 31 N -1.45 -0.88 3.72 1.57 0.00 -1.26 -4.80 105.19 102.08 2k1r n GLY 31 Ca 0.39 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2k1r n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1r s VAL 32 N -2.59 3.85 -0.11 1.61 -7.23 -0.42 -0.63 120.40 114.89 2k1r s VAL 32 Ca 0.16 1.43 0.08 0.00 -1.81 0.00 0.00 61.98 61.84 2k1r s VAL 32 Cb 0.12 -3.91 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 2k1r s VAL 32 CO 0.27 0.17 0.01 1.41 -0.31 0.00 0.00 175.10 176.65 2k1r n HIS 33 N 3.27 0.00 -3.66 2.82 8.25 0.05 -4.93 115.22 121.02 2k1r n HIS 33 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2k1r n HIS 33 Cb 0.46 -0.50 -0.09 0.00 1.12 0.00 0.00 29.99 30.98 2k1r n HIS 33 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k1r s HIS 34 N -2.25 -0.87 -0.10 4.41 2.46 -0.85 -4.98 115.29 113.11 2k1r s HIS 34 Ca -0.07 1.79 -0.01 0.00 0.47 0.00 0.00 55.06 57.23 2k1r s HIS 34 Cb 0.03 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.93 2k1r s HIS 34 CO 0.40 -0.45 -0.06 -1.50 -2.47 0.00 0.00 174.74 170.66 2k1r s ILE 35 N 1.48 3.78 -0.01 0.89 -1.16 -1.26 -1.32 121.20 123.60 2k1r s ILE 35 Ca -0.09 -0.43 0.03 0.00 -0.51 0.00 0.00 60.65 59.64 2k1r s ILE 35 Cb -0.06 -2.58 -0.01 0.00 0.61 0.00 0.00 42.46 40.42 2k1r s ILE 35 CO -0.16 0.57 -0.08 -0.75 -2.81 0.00 0.00 174.94 171.70 2k1r s LYS 36 N -0.44 0.67 -0.20 3.50 2.20 0.07 -5.01 119.74 120.53 2k1r s LYS 36 Ca 0.07 -0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 2k1r s LYS 36 Cb -0.12 -0.65 0.08 0.00 -1.51 0.00 0.00 37.83 35.63 2k1r s LYS 36 CO 0.02 0.18 0.17 0.14 -0.36 0.00 0.00 175.35 175.50 2k1r s VAL 37 N -0.20 -0.23 -1.19 4.02 -7.23 -1.26 -0.71 120.40 113.60 2k1r s VAL 37 Ca 0.03 -0.18 -0.10 0.00 -1.81 0.00 0.00 61.98 59.92 2k1r s VAL 37 Cb -0.03 -0.67 0.21 0.00 0.56 0.00 0.00 36.38 36.45 2k1r s VAL 37 CO -0.00 -0.27 1.50 -1.20 -0.31 0.00 0.00 175.10 174.82 2k1r n SER 38 N 5.30 5.45 -0.10 4.85 7.64 0.37 -4.89 113.62 132.24 2k1r n SER 38 Ca -0.06 -3.10 0.17 0.00 1.01 0.00 0.00 58.87 56.89 2k1r n SER 38 Cb 0.49 -1.46 0.57 0.00 -1.01 0.00 0.00 64.21 62.80 2k1r n SER 38 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2k1r h LEU 39 N 7.88 0.24 -0.60 -3.43 -0.00 -1.90 0.31 115.31 117.81 2k1r h LEU 39 Ca 0.29 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.18 2k1r h LEU 39 Cb 0.76 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2k1r h LEU 39 CO 1.32 0.13 -0.03 -0.33 -0.00 0.00 0.00 178.44 179.53 2k1r h GLU 40 N 0.26 0.00 -0.02 0.17 5.08 -1.88 -3.21 114.58 114.98 2k1r h GLU 40 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2k1r h GLU 40 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k1r h GLU 40 CO -0.07 0.03 -0.01 0.39 -1.00 0.00 0.00 179.01 178.35 2k1r n GLU 41 N -3.11 1.24 0.00 2.33 1.02 -0.08 -5.01 120.64 117.03 2k1r n GLU 41 Ca 0.02 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 2k1r n GLU 41 Cb 0.45 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2k1r n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k1r n LYS 42 N 0.87 0.00 -3.22 3.49 4.01 -0.17 -4.97 118.16 118.17 2k1r n LYS 42 Ca 0.09 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.51 2k1r n LYS 42 Cb 0.40 -3.32 -0.06 0.00 -0.51 0.00 0.00 35.03 31.54 2k1r n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2k1r s ASN 43 N -2.16 7.00 -0.17 4.39 2.20 -1.17 -0.29 114.94 124.74 2k1r s ASN 43 Ca 0.00 1.19 -0.05 0.00 -0.94 0.00 0.00 52.86 53.07 2k1r s ASN 43 Cb 0.00 -2.37 -0.03 0.00 -2.00 0.00 0.00 41.25 36.86 2k1r s ASN 43 CO 0.00 0.15 -0.01 0.00 -2.94 0.00 0.00 177.10 174.30 2k1r s ALA 44 N -0.43 3.08 0.03 3.54 0.00 0.78 -0.47 121.76 128.29 2k1r s ALA 44 Ca 0.31 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2k1r s ALA 44 Cb -0.19 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 2k1r s ALA 44 CO 0.18 0.12 -0.18 0.99 0.00 0.00 0.00 175.76 176.87 2k1r s THR 45 N 0.51 1.45 -0.11 0.00 2.01 0.12 -0.42 115.64 119.20 2k1r s THR 45 Ca -0.02 -1.07 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 2k1r s THR 45 Cb -0.14 -1.27 0.04 0.00 0.01 0.00 0.00 72.50 71.14 2k1r s THR 45 CO 0.02 0.17 0.46 -0.51 -0.69 0.00 0.00 174.62 174.07 2k1r s ILE 46 N -0.75 0.02 -0.19 1.82 2.07 -0.40 -0.75 121.20 123.01 2k1r s ILE 46 Ca 0.06 -0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.09 2k1r s ILE 46 Cb -0.08 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 2k1r s ILE 46 CO 0.01 -0.07 0.06 -0.63 -1.91 0.00 0.00 174.94 172.40 2k1r s ILE 47 N -0.40 4.74 0.06 2.00 1.01 -0.44 -1.54 121.20 126.64 2k1r s ILE 47 Ca -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2k1r s ILE 47 Cb -0.03 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2k1r s ILE 47 CO 0.03 0.45 -0.08 -0.72 0.00 0.00 0.00 174.94 174.61 2k1r s TYR 48 N 0.49 0.81 -0.12 3.97 1.13 -0.30 -0.77 117.35 122.57 2k1r s TYR 48 Ca 0.03 -0.60 -0.29 0.00 -1.41 0.00 0.00 57.07 54.80 2k1r s TYR 48 Cb -0.13 -0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 40.23 2k1r s TYR 48 CO 0.01 -0.07 1.50 0.34 -2.51 0.00 0.00 175.55 174.81 2k1r s ASP 49 N -2.00 6.74 0.11 -0.18 -1.08 0.20 -1.38 116.67 119.08 2k1r s ASP 49 Ca -0.03 1.94 0.14 0.00 -0.52 0.00 0.00 52.55 54.08 2k1r s ASP 49 Cb -0.06 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.50 2k1r s ASP 49 CO -0.01 -0.90 1.43 -0.81 0.52 0.00 0.00 175.17 175.40 2k1r n PRO 50 N 7.00 0.07 -0.05 4.34 -0.04 -1.26 -1.34 135.00 143.72 2k1r n PRO 50 Ca 0.16 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 63.96 2k1r n PRO 50 Cb 0.44 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.02 -0.01 0.54 1.57 -1.95 -3.41 116.57 113.28 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 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2k1r h LYS 51 CO 0.00 0.44 -0.21 1.28 -0.57 0.00 0.00 179.45 180.40 2k1r n LEU 52 N -4.72 1.44 -4.14 2.94 4.32 -0.99 -4.95 117.00 110.90 2k1r n LEU 52 Ca -0.05 -0.45 -0.09 0.00 -0.02 0.00 0.00 56.01 55.40 2k1r n LEU 52 Cb 0.23 -0.06 -0.10 0.00 -1.62 0.00 0.00 43.42 41.87 2k1r n LEU 52 CO 0.17 0.26 -0.31 -1.10 -1.22 0.00 0.00 177.39 175.19 2k1r s GLN 53 N -2.33 0.88 0.03 3.23 -1.52 -0.45 -4.41 119.66 115.09 2k1r s GLN 53 Ca 0.27 -1.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.11 2k1r s GLN 53 Cb 0.20 0.23 0.03 0.00 -0.22 0.00 0.00 33.01 33.25 2k1r s GLN 53 CO 0.46 -0.24 0.38 0.95 -0.25 0.00 0.00 175.29 176.60 2k1r s THR 54 N -4.03 0.06 0.42 -0.19 -4.23 -1.26 -4.63 115.64 101.79 2k1r s THR 54 Ca 0.21 -0.50 0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2k1r s THR 54 Cb 0.08 -0.90 0.33 0.00 1.34 0.00 0.00 72.50 73.34 2k1r s THR 54 CO -0.00 -0.28 1.96 -0.65 -0.54 0.00 0.00 174.62 175.12 2k1r h PRO 55 N 3.18 0.43 -0.10 3.99 0.11 -2.00 -1.75 132.00 135.86 2k1r h PRO 55 Ca -0.31 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.80 2k1r h PRO 55 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2k1r h PRO 55 CO 0.43 0.29 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.23 2k1r h LYS 56 N 0.45 -0.06 0.00 1.05 3.64 -1.99 -1.84 116.57 117.81 2k1r h LYS 56 Ca 0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2k1r h LYS 56 Cb 0.58 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2k1r h LYS 56 CO -0.09 -0.04 -0.08 1.15 -2.27 0.00 0.00 179.45 178.12 2k1r h THR 57 N -0.07 0.72 -0.01 1.00 2.02 -1.75 -0.07 112.91 114.75 2k1r h THR 57 Ca 0.06 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2k1r h THR 57 Cb 0.16 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2k1r h THR 57 CO -0.14 0.08 -0.00 -0.07 0.37 0.00 0.00 175.52 175.75 2k1r h LEU 58 N 0.00 0.02 -0.60 2.58 3.38 -0.97 -2.87 115.31 116.85 2k1r h LEU 58 Ca -0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2k1r h LEU 58 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2k1r h LEU 58 CO 0.01 0.39 0.20 1.56 0.09 0.00 0.00 178.44 180.69 2k1r h GLN 59 N -0.35 0.93 0.00 1.13 4.20 -0.46 -2.91 115.11 117.65 2k1r h GLN 59 Ca 0.00 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2k1r h GLN 59 Cb 0.38 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2k1r h GLN 59 CO 0.00 0.82 -0.20 0.93 -0.67 0.00 0.00 178.83 179.71 2k1r h GLU 60 N 0.85 0.00 -0.08 1.46 4.39 -1.15 -1.32 114.58 118.73 2k1r h GLU 60 Ca 0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 2k1r h GLU 60 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k1r h GLU 60 CO -0.01 0.20 -0.21 0.00 -1.16 0.00 0.00 179.01 177.83 2k1r h ALA 61 N 1.80 1.50 -0.07 3.43 0.00 -1.30 -2.83 119.26 121.80 2k1r h ALA 61 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2k1r h ALA 61 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k1r h ALA 61 CO 0.03 0.36 -0.56 0.82 0.00 0.00 0.00 179.25 179.90 2k1r h ILE 62 N 0.13 1.37 0.00 0.00 1.08 -1.23 -2.96 117.51 115.90 2k1r h ILE 62 Ca 0.02 -1.88 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 2k1r h ILE 62 Cb 0.45 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2k1r h ILE 62 CO 0.03 0.55 0.00 -0.67 -0.69 0.00 0.00 178.15 177.37 2k1r n ASP 63 N -3.90 0.21 0.22 1.72 2.03 -1.08 -1.99 116.55 113.76 2k1r n ASP 63 Ca -0.02 0.55 0.06 0.00 0.52 0.00 0.00 54.79 55.90 2k1r n ASP 63 Cb 0.58 -0.59 0.51 0.00 -0.72 0.00 0.00 41.12 40.90 2k1r n ASP 63 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k1r h ASP 64 N 0.00 0.00 -0.92 1.67 3.32 -1.38 -3.45 116.42 115.66 2k1r h ASP 64 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k1r h ASP 64 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k1r h ASP 64 CO 0.00 0.22 0.00 0.23 -1.72 0.00 0.00 179.24 177.97 2k1r n MET 65 N -4.14 3.39 -2.87 3.56 2.81 -0.84 -5.07 117.12 113.95 2k1r n MET 65 Ca -0.02 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.62 2k1r n MET 65 Cb 0.28 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.77 2k1r n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k1r n GLY 66 N 5.00 5.10 3.28 3.03 0.00 -1.26 -5.06 105.19 115.27 2k1r n GLY 66 Ca 0.00 -2.50 -0.15 0.00 0.00 0.00 0.00 46.02 43.37 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 -3.29 1.35 0.25 1.61 0.08 -1.26 -5.01 117.98 111.71 2k1r s PHE 67 Ca 0.46 -1.01 0.10 0.00 0.12 0.00 0.00 56.93 56.60 2k1r s PHE 67 Cb 0.33 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.95 2k1r s PHE 67 CO -0.13 -0.18 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.12 2k1r s ASP 68 N -3.23 3.19 0.03 1.36 1.01 -1.26 -4.59 116.67 113.19 2k1r s ASP 68 Ca 0.27 -1.01 -0.13 0.00 0.71 0.00 0.00 52.55 52.39 2k1r s ASP 68 Cb 0.06 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.77 2k1r s ASP 68 CO 0.07 -0.03 0.28 0.00 0.21 0.00 0.00 175.17 175.69 2k1r s ALA 69 N -2.62 -0.63 -0.08 5.23 0.00 -1.26 -1.46 121.76 120.95 2k1r s ALA 69 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2k1r s ALA 69 Cb -0.04 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.40 2k1r s ALA 69 CO 0.12 -0.38 0.17 0.08 0.00 0.00 0.00 175.76 175.74 2k1r s VAL 70 N -2.38 -0.10 0.14 0.00 1.01 0.29 -4.98 120.40 114.39 2k1r s VAL 70 Ca -0.06 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2k1r s VAL 70 Cb -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 2k1r s VAL 70 CO -0.02 0.09 1.29 -0.63 0.00 0.00 0.00 175.10 175.82 2k1r s ILE 71 N 1.41 3.48 -0.07 2.22 1.01 -1.26 -0.22 121.20 127.77 2k1r s ILE 71 Ca -0.07 1.14 0.21 0.00 0.00 0.00 0.00 60.65 61.93 2k1r s ILE 71 Cb -0.12 -3.73 0.38 0.00 0.01 0.00 0.00 42.46 39.01 2k1r s ILE 71 CO -0.06 0.13 1.15 1.57 0.00 0.00 0.00 174.94 177.73 2k1r n HIS 72 N 3.28 0.15 0.64 3.97 -0.00 -0.20 -4.86 115.22 118.20 2k1r n HIS 72 Ca 0.08 -0.89 0.05 0.00 0.46 0.00 0.00 57.72 57.42 2k1r n HIS 72 Cb 0.44 0.02 0.30 0.00 -0.12 0.00 0.00 29.99 30.63 2k1r n HIS 72 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07