#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 0.44 3.00 -5.12 0.00 -1.26 -5.02 105.19 97.23 2k1r n GLY 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.78 -0.03 1.61 -7.23 -1.26 -3.57 120.40 110.71 2k1r s VAL 3 Ca 0.00 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 2k1r s VAL 3 Cb 0.00 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.27 2k1r s VAL 3 CO 0.00 0.24 -0.01 0.21 -0.31 0.00 0.00 175.10 175.24 2k1r s ASN 4 N 0.18 0.42 -0.10 4.85 2.47 -0.08 -4.95 114.94 117.73 2k1r s ASN 4 Ca -0.03 -0.04 -0.13 0.00 0.42 0.00 0.00 52.86 53.08 2k1r s ASN 4 Cb -0.08 -0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.47 2k1r s ASN 4 CO 0.00 -0.07 0.31 -0.55 -3.72 0.00 0.00 177.10 173.08 2k1r s SER 5 N 0.82 6.56 -0.00 -4.21 0.15 -1.26 -2.11 113.70 113.65 2k1r s SER 5 Ca -0.08 0.67 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 2k1r s SER 5 Cb -0.12 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2k1r s SER 5 CO -0.01 0.22 0.20 -0.69 1.20 0.00 0.00 173.24 174.16 2k1r s VAL 6 N -0.27 0.07 0.04 4.45 1.01 -0.61 -5.03 120.40 120.06 2k1r s VAL 6 Ca 0.19 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2k1r s VAL 6 Cb -0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2k1r s VAL 6 CO 0.07 -0.33 -0.20 -0.89 0.00 0.00 0.00 175.10 173.75 2k1r s THR 7 N -1.34 1.64 -0.08 3.92 2.01 -1.26 -1.31 115.64 119.23 2k1r s THR 7 Ca -0.14 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.71 2k1r s THR 7 Cb -0.07 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.05 2k1r s THR 7 CO 0.03 0.23 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.48 2k1r s ILE 8 N -0.76 0.82 0.01 1.82 1.01 -0.07 -1.41 121.20 122.61 2k1r s ILE 8 Ca 0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 2k1r s ILE 8 Cb -0.09 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 2k1r s ILE 8 CO 0.01 0.31 1.44 -0.44 0.00 0.00 0.00 174.94 176.26 2k1r s SER 9 N 1.26 6.81 -0.40 3.58 0.01 0.39 -0.20 113.70 125.15 2k1r s SER 9 Ca -0.05 2.17 -0.03 0.00 1.31 0.00 0.00 55.95 59.35 2k1r s SER 9 Cb -0.14 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.64 2k1r s SER 9 CO -0.02 -0.75 0.20 0.54 0.41 0.00 0.00 173.24 173.62 2k1r s VAL 10 N 2.45 3.32 0.20 3.43 0.11 0.91 -0.45 120.40 130.35 2k1r s VAL 10 Ca 0.65 -1.99 0.20 0.00 -2.93 0.00 0.00 61.98 57.91 2k1r s VAL 10 Cb -0.33 -3.25 0.17 0.00 -1.53 0.00 0.00 36.38 31.45 2k1r s VAL 10 CO 0.27 -0.65 1.79 -0.33 -3.33 0.00 0.00 175.10 172.85 2k1r h GLU 11 N 8.07 0.00 -0.03 1.54 4.39 -0.95 -3.33 114.58 124.27 2k1r h GLU 11 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2k1r h GLU 11 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2k1r h GLU 11 CO 0.69 0.32 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 2k1r n GLY 12 N 0.09 -0.30 3.72 -3.84 0.00 -1.24 -4.94 105.19 98.68 2k1r n GLY 12 Ca -0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.52 4.22 0.00 1.61 0.00 -1.25 -4.91 119.30 118.45 2k1r s MET 13 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.68 2k1r s MET 13 Cb 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.44 2k1r s MET 13 CO 0.06 0.25 0.00 0.25 0.00 0.00 0.00 175.02 175.59 2k1r n THR 14 N 3.60 0.00 -2.87 10.11 -2.24 -1.26 -4.68 114.28 116.94 2k1r n THR 14 Ca -0.14 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2k1r n THR 14 Cb 0.52 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1r h ASN 16 N 0.00 0.77 1.06 0.00 -1.24 -2.00 -1.06 115.58 113.11 2k1r h ASN 16 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.70 2k1r h ASN 16 Cb 0.00 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.84 2k1r h ASN 16 CO 0.00 0.90 -0.63 0.77 -1.29 0.00 0.00 177.43 177.18 2k1r h SER 17 N 0.63 0.00 0.71 1.15 4.64 -2.00 -3.25 113.55 115.42 2k1r h SER 17 Ca 0.12 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2k1r h SER 17 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2k1r h SER 17 CO 0.02 0.06 -0.34 0.00 -0.87 0.00 0.00 176.83 175.70 2k1r h VAL 19 N -1.10 1.07 -0.96 0.00 -1.51 -1.31 -1.72 116.25 110.72 2k1r h VAL 19 Ca -0.10 -0.32 0.16 0.00 -1.23 0.00 0.00 66.70 65.21 2k1r h VAL 19 Cb 0.73 0.06 -0.08 0.00 -2.13 0.00 0.00 31.29 29.86 2k1r h VAL 19 CO 0.16 0.17 0.60 -0.25 -1.23 0.00 0.00 177.57 177.02 2k1r h TRP 20 N 0.93 0.95 -0.67 5.19 7.01 -1.68 -2.89 115.95 124.78 2k1r h TRP 20 Ca 0.35 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.33 2k1r h TRP 20 Cb 0.18 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2k1r h TRP 20 CO -0.00 0.31 0.26 1.15 -2.79 0.00 0.00 178.44 177.37 2k1r h THR 21 N 0.77 1.24 -0.23 2.65 2.02 -1.40 -2.91 112.91 115.05 2k1r h THR 21 Ca 0.50 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 2k1r h THR 21 Cb 0.75 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2k1r h THR 21 CO -0.26 0.31 -0.02 0.40 0.37 0.00 0.00 175.52 176.31 2k1r h ILE 22 N 0.96 1.27 -0.21 3.11 5.03 -1.62 -2.03 117.51 124.02 2k1r h ILE 22 Ca 0.22 -0.96 -0.03 0.00 -0.12 0.00 0.00 64.86 63.98 2k1r h ILE 22 Cb 0.22 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 2k1r h ILE 22 CO -0.02 0.30 -0.01 -0.08 -0.68 0.00 0.00 178.15 177.66 2k1r h GLU 23 N 0.16 0.30 -0.13 2.37 4.81 -1.59 -0.04 114.58 120.47 2k1r h GLU 23 Ca 0.06 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2k1r h GLU 23 Cb 0.45 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2k1r h GLU 23 CO 0.02 0.33 -0.29 1.96 -0.73 0.00 0.00 179.01 180.30 2k1r h GLN 24 N 0.29 0.42 0.05 1.92 1.08 -1.38 -2.48 115.11 115.02 2k1r h GLN 24 Ca 0.07 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2k1r h GLN 24 Cb 0.21 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2k1r h GLN 24 CO 0.01 0.89 -0.03 0.37 -0.95 0.00 0.00 178.83 179.12 2k1r h GLN 25 N 0.01 -0.07 -0.11 1.46 5.75 -0.88 -2.98 115.11 118.29 2k1r h GLN 25 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 2k1r h GLN 25 Cb 0.89 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2k1r h GLN 25 CO 0.06 0.27 -0.27 0.82 -2.65 0.00 0.00 178.83 177.07 2k1r h ILE 26 N -0.41 1.38 0.00 2.39 2.04 -1.16 -2.97 117.51 118.78 2k1r h ILE 26 Ca -0.01 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2k1r h ILE 26 Cb 0.37 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2k1r h ILE 26 CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.23 2k1r n GLY 27 N 0.48 -0.82 0.17 5.37 0.00 -0.93 -1.24 105.19 108.23 2k1r n GLY 27 Ca -0.07 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2k1r n GLY 27 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k1r h LYS 28 N 0.00 0.00 0.00 1.61 3.64 -1.35 -3.34 116.57 117.12 2k1r h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k1r h LYS 28 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2k1r h LYS 28 CO 0.00 0.45 0.00 0.28 -2.27 0.00 0.00 179.45 177.91 2k1r n VAL 29 N -3.67 0.31 0.00 2.00 0.31 -0.37 -4.92 118.33 112.00 2k1r n VAL 29 Ca -0.01 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2k1r n VAL 29 Cb 0.53 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 -1.62 0.00 0.03 4.52 2.85 -1.26 -4.78 115.26 115.01 2k1r n ASN 30 Ca 0.06 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.54 2k1r n ASN 30 Cb 0.31 -0.10 -0.08 0.00 1.24 0.00 0.00 39.78 41.15 2k1r n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1r n GLY 31 N -1.77 -1.21 3.70 8.20 0.00 -1.26 -4.91 105.19 107.94 2k1r n GLY 31 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2k1r n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1r s VAL 32 N -2.98 3.24 -0.10 1.61 1.01 -1.26 -0.52 120.40 121.40 2k1r s VAL 32 Ca -0.03 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 2k1r s VAL 32 Cb 0.09 -3.51 -0.27 0.00 0.00 0.00 0.00 36.38 32.69 2k1r s VAL 32 CO 0.81 0.03 0.49 -0.74 0.00 0.00 0.00 175.10 175.69 2k1r h HIS 33 N 7.47 0.52 -2.43 5.22 2.76 -1.18 -3.47 115.15 124.04 2k1r h HIS 33 Ca -0.41 -0.38 -0.07 0.00 -2.20 0.00 0.00 60.37 57.31 2k1r h HIS 33 Cb 1.20 -0.02 -0.25 0.00 1.55 0.00 0.00 27.41 29.89 2k1r h HIS 33 CO 0.71 1.69 -0.24 -1.58 -1.30 0.00 0.00 177.93 177.21 2k1r s HIS 34 N -2.54 -0.81 -0.10 5.26 2.46 -0.79 -5.01 115.29 113.76 2k1r s HIS 34 Ca -0.20 1.61 0.01 0.00 0.47 0.00 0.00 55.06 56.95 2k1r s HIS 34 Cb 0.06 0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 32.89 2k1r s HIS 34 CO 0.78 -0.45 -0.14 -1.50 -2.47 0.00 0.00 174.74 170.97 2k1r s ILE 35 N 1.92 3.02 -0.02 0.89 -1.16 -1.26 -1.29 121.20 123.29 2k1r s ILE 35 Ca -0.07 -0.69 0.03 0.00 -0.51 0.00 0.00 60.65 59.40 2k1r s ILE 35 Cb -0.09 -2.24 -0.00 0.00 0.61 0.00 0.00 42.46 40.74 2k1r s ILE 35 CO -0.15 0.55 -0.11 -0.75 -2.81 0.00 0.00 174.94 171.67 2k1r s LYS 36 N 0.01 1.06 -0.06 3.50 2.20 -0.03 -5.03 119.74 121.40 2k1r s LYS 36 Ca -0.04 -0.38 -0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2k1r s LYS 36 Cb -0.14 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.21 2k1r s LYS 36 CO 0.04 0.17 -0.02 0.14 -0.36 0.00 0.00 175.35 175.32 2k1r s VAL 37 N 0.02 0.45 -0.52 4.02 -7.23 -1.26 -0.62 120.40 115.26 2k1r s VAL 37 Ca -0.01 -0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.08 2k1r s VAL 37 Cb -0.08 -0.54 0.13 0.00 0.56 0.00 0.00 36.38 36.46 2k1r s VAL 37 CO 0.00 0.24 0.38 -0.44 -0.31 0.00 0.00 175.10 174.97 2k1r s SER 38 N 1.39 5.67 0.47 4.85 0.01 0.03 -4.98 113.70 121.14 2k1r s SER 38 Ca -0.04 -2.14 0.16 0.00 1.31 0.00 0.00 55.95 55.24 2k1r s SER 38 Cb -0.13 -1.98 1.12 0.00 0.21 0.00 0.00 66.02 65.24 2k1r s SER 38 CO -0.03 -0.62 2.04 0.17 0.41 0.00 0.00 173.24 175.22 2k1r h LEU 39 N 8.12 0.00 -2.20 2.44 8.10 -1.87 -0.77 115.31 129.13 2k1r h LEU 39 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.85 2k1r h LEU 39 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2k1r h LEU 39 CO 0.81 0.13 0.00 -1.84 -4.11 0.00 0.00 178.44 173.43 2k1r n GLU 40 N -4.30 2.30 0.00 0.17 0.00 -1.26 -4.30 120.64 113.24 2k1r n GLU 40 Ca -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 57.16 55.04 2k1r n GLU 40 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.19 2k1r n GLU 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k1r n GLU 41 N 1.32 5.46 -3.44 3.44 1.02 -0.86 -5.05 120.64 122.53 2k1r n GLU 41 Ca 0.16 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 2k1r n GLU 41 Cb 0.56 -0.46 0.04 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.79 -5.77 -4.16 3.49 5.02 -0.35 -4.96 118.16 110.65 2k1r n LYS 42 Ca 0.00 0.76 -0.11 0.00 -2.02 0.00 0.00 58.31 56.94 2k1r n LYS 42 Cb 0.00 -5.67 -0.10 0.00 -0.02 0.00 0.00 35.03 29.24 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 -3.02 1.15 -0.22 4.39 2.20 -1.24 -0.06 114.94 118.14 2k1r s ASN 43 Ca 0.48 -0.93 0.00 0.00 -0.94 0.00 0.00 52.86 51.48 2k1r s ASN 43 Cb -0.23 0.07 0.06 0.00 -2.00 0.00 0.00 41.25 39.16 2k1r s ASN 43 CO 0.60 -0.41 -0.04 0.00 -2.94 0.00 0.00 177.10 174.31 2k1r s ALA 44 N -3.20 1.81 -0.17 3.54 0.00 0.72 -0.79 121.76 123.67 2k1r s ALA 44 Ca 0.08 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 2k1r s ALA 44 Cb 0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2k1r s ALA 44 CO -0.03 -1.15 0.04 0.99 0.00 0.00 0.00 175.76 175.60 2k1r s THR 45 N 1.47 4.56 -0.08 0.00 2.01 0.21 -0.90 115.64 122.91 2k1r s THR 45 Ca -0.05 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 2k1r s THR 45 Cb -0.18 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.33 2k1r s THR 45 CO -0.07 0.48 0.36 -0.51 -0.69 0.00 0.00 174.62 174.20 2k1r s ILE 46 N 0.26 0.03 -0.06 1.82 2.07 -0.43 -0.85 121.20 124.04 2k1r s ILE 46 Ca 0.02 -0.23 0.05 0.00 -1.41 0.00 0.00 60.65 59.08 2k1r s ILE 46 Cb -0.13 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 2k1r s ILE 46 CO 0.01 -0.13 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.07 2k1r s ILE 47 N -0.61 1.74 0.04 2.00 1.01 -0.41 -1.57 121.20 123.39 2k1r s ILE 47 Ca -0.07 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 2k1r s ILE 47 Cb -0.04 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2k1r s ILE 47 CO 0.03 0.49 0.14 -0.72 0.00 0.00 0.00 174.94 174.88 2k1r s TYR 48 N 0.02 0.15 -0.34 3.97 -0.85 -0.90 -0.59 117.35 118.81 2k1r s TYR 48 Ca -0.06 -0.43 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 2k1r s TYR 48 Cb -0.13 -0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.13 2k1r s TYR 48 CO 0.04 -0.41 1.10 0.34 -1.52 0.00 0.00 175.55 175.10 2k1r s ASP 49 N -2.19 6.87 0.19 -0.18 -1.08 0.32 -0.90 116.67 119.70 2k1r s ASP 49 Ca -0.04 0.98 0.20 0.00 -0.52 0.00 0.00 52.55 53.17 2k1r s ASP 49 Cb -0.00 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.77 2k1r s ASP 49 CO -0.05 -0.95 1.60 -0.81 0.52 0.00 0.00 175.17 175.48 2k1r n PRO 50 N 7.05 0.13 0.20 4.34 -0.04 -1.26 -1.82 135.00 143.59 2k1r n PRO 50 Ca 0.12 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 64.06 2k1r n PRO 50 Cb 0.47 -1.77 0.39 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.00 0.54 1.57 -1.96 -3.32 116.57 113.40 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k1r h LYS 51 CO 0.00 0.35 -0.88 1.28 -0.57 0.00 0.00 179.45 179.63 2k1r n LEU 52 N -3.67 0.11 -4.36 2.94 4.77 -0.94 -5.07 117.00 110.79 2k1r n LEU 52 Ca -0.01 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 2k1r n LEU 52 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2k1r n LEU 52 CO 0.36 0.03 -0.44 -1.10 -1.33 0.00 0.00 177.39 174.91 2k1r s GLN 53 N -2.08 1.36 0.03 3.23 -1.52 -0.76 -4.69 119.66 115.24 2k1r s GLN 53 Ca -0.00 -1.61 -0.09 0.00 -1.95 0.00 0.00 55.36 51.70 2k1r s GLN 53 Cb 0.04 -1.17 0.00 0.00 -0.22 0.00 0.00 33.01 31.67 2k1r s GLN 53 CO 0.25 0.19 0.19 0.95 -0.25 0.00 0.00 175.29 176.62 2k1r s THR 54 N -2.94 0.10 0.44 -0.19 -4.23 -1.26 -4.47 115.64 103.09 2k1r s THR 54 Ca 0.23 -0.86 0.12 0.00 -1.18 0.00 0.00 61.69 59.99 2k1r s THR 54 Cb -0.01 -0.84 0.21 0.00 1.34 0.00 0.00 72.50 73.21 2k1r s THR 54 CO 0.08 -0.48 2.02 1.55 -0.54 0.00 0.00 174.62 177.25 2k1r h PRO 55 N 3.59 0.20 -0.31 3.99 0.13 -1.99 -1.76 132.00 135.84 2k1r h PRO 55 Ca -0.32 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.84 2k1r h PRO 55 Cb 1.19 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2k1r h PRO 55 CO 0.47 0.24 -0.00 -0.22 -0.23 0.00 0.00 178.00 178.25 2k1r h LYS 56 N 0.19 0.08 -0.01 0.86 3.11 -1.99 -1.36 116.57 117.46 2k1r h LYS 56 Ca 0.05 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.80 2k1r h LYS 56 Cb 0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 2k1r h LYS 56 CO 0.01 0.05 -0.36 1.15 -2.81 0.00 0.00 179.45 177.49 2k1r h THR 57 N 0.08 1.26 0.02 1.00 2.02 -1.75 0.13 112.91 115.68 2k1r h THR 57 Ca 0.15 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2k1r h THR 57 Cb 0.20 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k1r h THR 57 CO -0.26 0.36 -0.01 -0.07 0.37 0.00 0.00 175.52 175.91 2k1r h LEU 58 N 0.01 -0.03 -0.34 2.58 4.07 -1.14 -2.35 115.31 118.11 2k1r h LEU 58 Ca -0.00 -0.26 0.04 0.00 0.08 0.00 0.00 57.88 57.74 2k1r h LEU 58 Cb 0.65 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 2k1r h LEU 58 CO 0.05 0.25 0.10 1.56 -1.08 0.00 0.00 178.44 179.32 2k1r h GLN 59 N -0.31 0.23 -0.35 1.13 4.20 -1.01 -2.85 115.11 116.15 2k1r h GLN 59 Ca -0.00 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2k1r h GLN 59 Cb 0.29 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2k1r h GLN 59 CO 0.01 0.15 0.25 1.49 -0.67 0.00 0.00 178.83 180.06 2k1r h GLU 60 N 0.24 0.05 -0.04 1.46 4.81 -0.92 -1.46 114.58 118.71 2k1r h GLU 60 Ca 0.16 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2k1r h GLU 60 Cb 0.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k1r h GLU 60 CO -0.17 0.03 -0.47 0.00 -0.73 0.00 0.00 179.01 177.67 2k1r h ALA 61 N 1.82 1.15 -0.10 2.92 0.00 -1.17 0.49 119.26 124.37 2k1r h ALA 61 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 2k1r h ALA 61 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k1r h ALA 61 CO -0.01 0.61 -0.74 0.82 0.00 0.00 0.00 179.25 179.92 2k1r h ILE 62 N 0.08 1.35 0.00 0.00 1.08 -1.33 -3.15 117.51 115.54 2k1r h ILE 62 Ca 0.00 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.38 2k1r h ILE 62 Cb 0.86 2.07 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 2k1r h ILE 62 CO 0.07 0.64 0.00 -0.78 -0.69 0.00 0.00 178.15 177.38 2k1r h ASP 63 N 0.35 0.00 -0.01 1.72 3.58 -1.24 -2.93 116.42 117.88 2k1r h ASP 63 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k1r h ASP 63 Cb 1.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 2k1r h ASP 63 CO 0.13 0.00 0.01 -0.78 -2.88 0.00 0.00 179.24 175.72 2k1r h ASP 64 N 0.00 0.00 0.00 2.28 3.58 -0.86 -3.40 116.42 118.03 2k1r h ASP 64 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k1r h ASP 64 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k1r h ASP 64 CO 0.00 0.00 0.00 1.15 -2.88 0.00 0.00 179.24 177.51 2k1r n MET 65 N -4.19 0.00 -2.86 0.28 0.00 -1.26 -5.10 117.12 103.99 2k1r n MET 65 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.56 2k1r n MET 65 Cb 0.10 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.36 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 1.87 3.82 3.17 0.00 -1.26 -5.10 105.19 112.69 2k1r n GLY 66 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.22 2.10 0.11 1.61 0.08 -1.11 -5.05 117.98 114.50 2k1r s PHE 67 Ca 0.29 -0.74 0.09 0.00 0.12 0.00 0.00 56.93 56.68 2k1r s PHE 67 Cb 0.36 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 2k1r s PHE 67 CO -0.05 -0.10 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.24 2k1r s ASP 68 N -4.07 2.72 0.08 1.36 1.01 -1.26 -4.40 116.67 112.11 2k1r s ASP 68 Ca 0.33 -0.71 -0.20 0.00 0.71 0.00 0.00 52.55 52.67 2k1r s ASP 68 Cb 0.01 -0.16 0.05 0.00 1.01 0.00 0.00 42.92 43.82 2k1r s ASP 68 CO 0.19 0.08 0.48 0.00 0.21 0.00 0.00 175.17 176.13 2k1r s ALA 69 N -1.20 -1.21 -0.09 5.23 0.00 -1.26 -0.43 121.76 122.79 2k1r s ALA 69 Ca 0.09 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 2k1r s ALA 69 Cb -0.10 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.57 2k1r s ALA 69 CO 0.05 -0.56 0.22 0.08 0.00 0.00 0.00 175.76 175.55 2k1r s VAL 70 N -2.90 -0.04 0.25 0.00 1.01 0.40 -4.97 120.40 114.15 2k1r s VAL 70 Ca -0.03 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2k1r s VAL 70 Cb -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 2k1r s VAL 70 CO -0.05 0.06 1.25 -0.63 0.00 0.00 0.00 175.10 175.73 2k1r s ILE 71 N 1.18 3.19 -0.18 2.22 1.01 -1.26 -0.46 121.20 126.90 2k1r s ILE 71 Ca -0.09 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.54 2k1r s ILE 71 Cb -0.10 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.74 2k1r s ILE 71 CO -0.07 0.21 0.43 -2.28 0.00 0.00 0.00 174.94 173.22 2k1r s HIS 72 N -0.48 -0.64 -2.45 3.97 2.46 -0.50 -4.83 115.29 112.82 2k1r s HIS 72 Ca 0.52 1.36 0.28 0.00 0.47 0.00 0.00 55.06 57.69 2k1r s HIS 72 Cb -0.36 0.30 1.14 0.00 -0.13 0.00 0.00 32.58 33.53 2k1r s HIS 72 CO 0.42 -0.36 1.80 -1.71 -2.47 0.00 0.00 174.74 172.42