#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 0.68 2.84 3.17 0.00 -1.26 -5.03 105.19 105.58 2k1r n GLY 2 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.07 -0.03 1.61 -7.23 -1.26 -3.82 120.40 109.74 2k1r s VAL 3 Ca 0.00 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 2k1r s VAL 3 Cb 0.00 -0.13 0.01 0.00 0.56 0.00 0.00 36.38 36.82 2k1r s VAL 3 CO 0.00 0.07 -0.06 0.21 -0.31 0.00 0.00 175.10 175.01 2k1r s ASN 4 N 0.51 0.92 -0.19 4.85 2.47 -0.21 -4.91 114.94 118.38 2k1r s ASN 4 Ca -0.05 -0.13 -0.08 0.00 0.42 0.00 0.00 52.86 53.02 2k1r s ASN 4 Cb -0.07 -0.33 -0.04 0.00 -1.45 0.00 0.00 41.25 39.36 2k1r s ASN 4 CO -0.01 0.00 0.08 -0.44 -3.72 0.00 0.00 177.10 173.01 2k1r s SER 5 N 0.50 5.71 0.02 -4.21 0.01 -1.26 -1.93 113.70 112.54 2k1r s SER 5 Ca -0.07 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.29 2k1r s SER 5 Cb -0.10 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 2k1r s SER 5 CO 0.00 0.16 -0.05 0.54 0.41 0.00 0.00 173.24 174.30 2k1r s VAL 6 N 0.48 0.36 -0.07 3.43 0.11 -0.34 -5.02 120.40 119.35 2k1r s VAL 6 Ca 0.04 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 2k1r s VAL 6 Cb -0.12 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 2k1r s VAL 6 CO 0.00 -0.25 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.49 2k1r s THR 7 N -0.95 3.04 -0.21 5.04 2.01 -1.24 -1.57 115.64 121.77 2k1r s THR 7 Ca -0.07 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2k1r s THR 7 Cb -0.07 -2.21 0.05 0.00 0.01 0.00 0.00 72.50 70.29 2k1r s THR 7 CO -0.00 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.84 2k1r s ILE 8 N -0.51 1.21 -0.80 1.82 1.01 0.50 -0.39 121.20 124.05 2k1r s ILE 8 Ca 0.07 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.55 2k1r s ILE 8 Cb -0.12 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.77 2k1r s ILE 8 CO 0.02 -0.05 2.19 -0.44 0.00 0.00 0.00 174.94 176.66 2k1r s SER 9 N 1.56 4.51 -1.29 3.58 0.01 0.63 -0.52 113.70 122.17 2k1r s SER 9 Ca -0.03 -0.13 -0.13 0.00 1.31 0.00 0.00 55.95 56.97 2k1r s SER 9 Cb -0.17 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2k1r s SER 9 CO -0.07 -3.26 2.35 1.33 0.41 0.00 0.00 173.24 173.99 2k1r n VAL 10 N 8.27 3.21 -0.42 3.43 0.24 -1.12 -0.91 118.33 131.04 2k1r n VAL 10 Ca 0.42 -2.39 0.35 0.00 -2.04 0.00 0.00 64.34 60.68 2k1r n VAL 10 Cb 0.46 -2.49 0.66 0.00 -1.47 0.00 0.00 33.84 31.01 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2k1r h GLU 11 N 6.15 0.13 -0.02 7.34 4.39 -1.43 -1.81 114.58 129.33 2k1r h GLU 11 Ca 0.61 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.30 2k1r h GLU 11 Cb 0.48 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k1r h GLU 11 CO 1.81 0.08 -0.19 0.41 -1.16 0.00 0.00 179.01 179.97 2k1r n GLY 12 N -1.63 0.17 3.85 -3.84 0.00 -0.62 -4.91 105.19 98.22 2k1r n GLY 12 Ca 0.32 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.24 3.77 0.00 1.61 -2.45 -0.68 -4.57 119.30 114.74 2k1r s MET 13 Ca 0.27 0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.93 2k1r s MET 13 Cb 0.20 -3.15 0.00 0.00 1.25 0.00 0.00 34.83 33.12 2k1r s MET 13 CO 0.43 0.67 0.00 -2.37 1.05 0.00 0.00 175.02 174.80 2k1r n THR 14 N 1.57 0.00 -4.33 10.11 5.66 -1.26 -4.79 114.28 121.24 2k1r n THR 14 Ca -0.13 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.68 2k1r n THR 14 Cb 0.53 0.15 -0.09 0.00 -1.55 0.00 0.00 70.33 69.37 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 2.18 0.23 1.49 0.00 -0.73 -2.01 -3.13 115.58 113.61 2k1r h ASN 16 Ca -0.32 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 56.95 2k1r h ASN 16 Cb 1.25 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.77 2k1r h ASN 16 CO 0.49 1.11 -0.26 0.28 -0.37 0.00 0.00 177.43 178.68 2k1r h SER 17 N -0.62 0.00 -0.18 1.15 0.02 -2.00 -3.33 113.55 108.59 2k1r h SER 17 Ca -0.05 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2k1r h SER 17 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2k1r h SER 17 CO 0.07 0.02 0.06 0.00 -1.14 0.00 0.00 176.83 175.84 2k1r h VAL 19 N 0.13 1.26 -0.80 0.00 -1.51 -1.66 -1.17 116.25 112.50 2k1r h VAL 19 Ca 0.06 -0.60 0.01 0.00 -1.23 0.00 0.00 66.70 64.94 2k1r h VAL 19 Cb 0.21 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.34 2k1r h VAL 19 CO -0.00 0.28 0.53 -0.25 -1.23 0.00 0.00 177.57 176.89 2k1r h TRP 20 N 1.26 1.00 -0.47 5.19 7.01 -1.61 -2.18 115.95 126.16 2k1r h TRP 20 Ca 0.32 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.30 2k1r h TRP 20 Cb -0.01 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.69 2k1r h TRP 20 CO 0.01 0.63 0.13 1.15 -2.79 0.00 0.00 178.44 177.57 2k1r h THR 21 N 1.08 1.23 -0.62 2.65 2.02 -0.16 -1.64 112.91 117.46 2k1r h THR 21 Ca 0.29 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.73 2k1r h THR 21 Cb -0.12 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2k1r h THR 21 CO -0.06 0.29 0.34 0.40 0.37 0.00 0.00 175.52 176.85 2k1r h ILE 22 N 0.63 0.97 -0.55 3.11 1.08 -0.88 -0.20 117.51 121.67 2k1r h ILE 22 Ca 0.15 -0.22 -0.07 0.00 -0.39 0.00 0.00 64.86 64.33 2k1r h ILE 22 Cb 0.31 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2k1r h ILE 22 CO -0.00 0.12 0.07 -0.08 -0.69 0.00 0.00 178.15 177.57 2k1r h GLU 23 N 0.64 0.88 -0.28 2.37 4.81 -1.00 0.46 114.58 122.45 2k1r h GLU 23 Ca 0.28 -0.22 -0.19 0.00 -0.13 0.00 0.00 59.36 59.10 2k1r h GLU 23 Cb 0.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2k1r h GLU 23 CO -0.17 0.83 -0.55 1.96 -0.73 0.00 0.00 179.01 180.35 2k1r h GLN 24 N 0.83 0.87 -0.12 1.92 1.08 -1.11 -2.88 115.11 115.70 2k1r h GLN 24 Ca 0.17 -0.56 -0.04 0.00 -1.45 0.00 0.00 58.65 56.77 2k1r h GLN 24 Cb 0.39 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2k1r h GLN 24 CO 0.01 1.20 -0.07 1.96 -0.95 0.00 0.00 178.83 180.97 2k1r h GLN 25 N 0.66 0.27 -0.26 1.46 1.08 -0.58 -3.08 115.11 114.65 2k1r h GLN 25 Ca 0.01 -0.12 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 2k1r h GLN 25 Cb 1.17 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2k1r h GLN 25 CO 0.12 0.62 -0.29 0.82 -0.95 0.00 0.00 178.83 179.15 2k1r h ILE 26 N -0.09 1.31 0.00 2.54 1.08 -1.07 -3.16 117.51 118.13 2k1r h ILE 26 Ca 0.03 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 2k1r h ILE 26 Cb 0.54 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 2k1r h ILE 26 CO 0.02 0.46 0.00 0.61 -0.69 0.00 0.00 178.15 178.55 2k1r n GLY 27 N 0.21 -0.74 0.16 5.37 0.00 -1.09 -0.58 105.19 108.52 2k1r n GLY 27 Ca -0.04 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.06 1.61 1.63 -1.49 -3.44 116.57 108.82 2k1r h LYS 28 Ca 0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 2k1r h LYS 28 Cb 0.04 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.57 2k1r h LYS 28 CO 0.00 0.37 0.93 0.08 -3.45 0.00 0.00 179.45 177.38 2k1r s VAL 29 N -3.02 3.92 0.09 2.00 1.01 0.25 -4.91 120.40 119.73 2k1r s VAL 29 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2k1r s VAL 29 Cb 0.07 -4.86 0.12 0.00 0.00 0.00 0.00 36.38 31.71 2k1r s VAL 29 CO 0.73 -1.74 0.44 -3.20 0.00 0.00 0.00 175.10 171.32 2k1r n ASN 30 N 8.83 -0.05 0.03 3.32 2.85 -1.26 -1.47 115.26 127.52 2k1r n ASN 30 Ca 0.03 0.48 0.11 0.00 -0.11 0.00 0.00 54.58 55.09 2k1r n ASN 30 Cb 0.48 -0.17 0.47 0.00 1.24 0.00 0.00 39.78 41.81 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 -1.15 -1.35 3.64 8.20 0.00 -1.26 -4.92 105.19 108.35 2k1r n GLY 31 Ca 0.06 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2k1r n GLY 31 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k1r n VAL 32 N -1.72 4.03 -0.03 1.61 0.24 -0.54 -0.83 118.33 121.08 2k1r n VAL 32 Ca 0.05 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 2k1r n VAL 32 Cb 0.29 -1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 31.40 2k1r n VAL 32 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2k1r n HIS 33 N -1.90 0.00 -3.65 6.34 -0.00 0.46 -4.78 115.22 111.69 2k1r n HIS 33 Ca 0.14 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.18 2k1r n HIS 33 Cb 0.48 -0.25 -0.08 0.00 -0.12 0.00 0.00 29.99 30.02 2k1r n HIS 33 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k1r s HIS 34 N -2.13 -0.65 -0.08 1.57 2.46 -0.89 -4.99 115.29 110.58 2k1r s HIS 34 Ca -0.09 1.51 0.04 0.00 0.47 0.00 0.00 55.06 56.99 2k1r s HIS 34 Cb 0.03 0.25 -0.01 0.00 -0.13 0.00 0.00 32.58 32.72 2k1r s HIS 34 CO 0.14 -0.38 -0.21 -1.50 -2.47 0.00 0.00 174.74 170.32 2k1r s ILE 35 N -0.00 2.36 0.04 0.89 -1.16 -1.26 -0.84 121.20 121.23 2k1r s ILE 35 Ca -0.02 -0.94 0.05 0.00 -0.51 0.00 0.00 60.65 59.22 2k1r s ILE 35 Cb -0.04 -1.90 -0.02 0.00 0.61 0.00 0.00 42.46 41.11 2k1r s ILE 35 CO 0.02 0.56 -0.13 -0.75 -2.81 0.00 0.00 174.94 171.84 2k1r s LYS 36 N -0.03 0.86 -0.02 3.50 2.20 -0.13 -5.02 119.74 121.09 2k1r s LYS 36 Ca -0.06 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 2k1r s LYS 36 Cb -0.15 -0.85 0.02 0.00 -1.51 0.00 0.00 37.83 35.34 2k1r s LYS 36 CO 0.05 0.20 0.05 0.14 -0.36 0.00 0.00 175.35 175.44 2k1r s VAL 37 N -0.93 -0.02 -0.32 4.02 -7.23 -1.26 -0.66 120.40 113.99 2k1r s VAL 37 Ca 0.00 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 2k1r s VAL 37 Cb -0.08 -0.10 0.05 0.00 0.56 0.00 0.00 36.38 36.81 2k1r s VAL 37 CO 0.01 0.04 0.04 -0.44 -0.31 0.00 0.00 175.10 174.43 2k1r s SER 38 N 0.48 5.00 0.17 4.85 0.01 0.04 -5.01 113.70 119.24 2k1r s SER 38 Ca -0.04 -1.30 0.08 0.00 1.31 0.00 0.00 55.95 55.99 2k1r s SER 38 Cb -0.05 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2k1r s SER 38 CO -0.02 -0.29 1.39 0.17 0.41 0.00 0.00 173.24 174.90 2k1r h LEU 39 N 8.04 0.02 0.00 2.44 8.10 -1.92 -1.61 115.31 130.39 2k1r h LEU 39 Ca -0.21 -0.02 -0.27 0.00 0.11 0.00 0.00 57.88 57.50 2k1r h LEU 39 Cb 1.06 -0.01 -0.05 0.00 -0.44 0.00 0.00 40.66 41.23 2k1r h LEU 39 CO 0.56 0.88 -1.59 1.05 -4.11 0.00 0.00 178.44 175.23 2k1r h GLU 40 N 0.01 0.00 0.00 0.17 9.09 -1.92 -3.30 114.58 118.63 2k1r h GLU 40 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2k1r h GLU 40 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.64 2k1r h GLU 40 CO 0.12 0.51 -0.46 0.39 0.05 0.00 0.00 179.01 179.61 2k1r n GLU 41 N -3.05 0.24 -3.16 1.06 1.02 -1.25 -5.00 120.64 110.49 2k1r n GLU 41 Ca -0.14 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2k1r n GLU 41 Cb 1.01 -1.67 0.07 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.03 -5.38 -3.84 3.49 4.01 -0.66 -5.04 118.16 108.71 2k1r n LYS 42 Ca 0.04 0.66 -0.12 0.00 -0.51 0.00 0.00 58.31 58.38 2k1r n LYS 42 Cb 0.42 -5.12 -0.11 0.00 -0.51 0.00 0.00 35.03 29.71 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 -3.87 -0.09 -0.10 4.39 2.20 -0.88 -2.77 114.94 113.81 2k1r s ASN 43 Ca 0.10 0.10 0.04 0.00 -0.94 0.00 0.00 52.86 52.16 2k1r s ASN 43 Cb -0.04 0.28 -0.00 0.00 -2.00 0.00 0.00 41.25 39.48 2k1r s ASN 43 CO 0.57 -0.19 -0.23 0.00 -2.94 0.00 0.00 177.10 174.31 2k1r s ALA 44 N -0.52 2.21 -0.10 3.54 0.00 0.32 -0.78 121.76 126.42 2k1r s ALA 44 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 2k1r s ALA 44 Cb -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.28 2k1r s ALA 44 CO 0.01 0.29 -0.02 0.99 0.00 0.00 0.00 175.76 177.03 2k1r s THR 45 N 0.32 0.60 -0.05 0.00 2.01 0.16 -0.37 115.64 118.32 2k1r s THR 45 Ca -0.18 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 2k1r s THR 45 Cb -0.18 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.58 2k1r s THR 45 CO 0.09 0.22 0.20 -0.51 -0.69 0.00 0.00 174.62 173.92 2k1r s ILE 46 N 1.87 0.03 -0.08 1.82 -1.16 -0.61 -0.95 121.20 122.12 2k1r s ILE 46 Ca 0.04 -0.27 0.05 0.00 -0.51 0.00 0.00 60.65 59.95 2k1r s ILE 46 Cb -0.13 -0.38 -0.01 0.00 0.61 0.00 0.00 42.46 42.56 2k1r s ILE 46 CO -0.06 -0.15 -0.23 -0.63 -2.81 0.00 0.00 174.94 171.05 2k1r s ILE 47 N -0.52 2.17 0.05 2.00 1.01 -0.02 -1.20 121.20 124.69 2k1r s ILE 47 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2k1r s ILE 47 Cb -0.04 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2k1r s ILE 47 CO 0.01 0.56 -0.06 -0.72 0.00 0.00 0.00 174.94 174.74 2k1r s TYR 48 N 0.11 0.62 -0.25 3.97 1.13 -0.81 -0.40 117.35 121.71 2k1r s TYR 48 Ca -0.11 -0.69 -0.29 0.00 -1.41 0.00 0.00 57.07 54.57 2k1r s TYR 48 Cb -0.16 -0.38 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 2k1r s TYR 48 CO 0.06 -0.16 1.18 0.34 -2.51 0.00 0.00 175.55 174.46 2k1r s ASP 49 N -2.10 6.91 0.00 -0.18 -1.08 -0.01 -1.04 116.67 119.16 2k1r s ASP 49 Ca -0.04 1.36 0.17 0.00 -0.52 0.00 0.00 52.55 53.52 2k1r s ASP 49 Cb -0.04 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.80 2k1r s ASP 49 CO -0.03 -0.85 1.60 -0.81 0.52 0.00 0.00 175.17 175.61 2k1r n PRO 50 N 6.78 1.15 0.06 4.34 -0.04 -1.26 -3.57 135.00 142.46 2k1r n PRO 50 Ca 0.13 -0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 2k1r n PRO 50 Cb 0.46 -1.28 -0.08 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 0.43 -0.20 -0.32 0.54 1.57 -1.96 -3.40 116.57 113.24 2k1r h LYS 51 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2k1r h LYS 51 Cb 0.10 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k1r h LYS 51 CO 0.00 0.22 0.00 1.47 -0.57 0.00 0.00 179.45 180.57 2k1r n LEU 52 N -4.96 3.01 -3.55 2.94 -0.00 -1.23 -5.01 117.00 108.19 2k1r n LEU 52 Ca -0.08 -2.15 -0.17 0.00 -0.00 0.00 0.00 56.01 53.61 2k1r n LEU 52 Cb 0.26 -0.27 -0.06 0.00 -0.00 0.00 0.00 43.42 43.35 2k1r n LEU 52 CO 0.30 0.71 0.37 -1.58 -0.00 0.00 0.00 177.39 177.19 2k1r s GLN 53 N -1.27 1.02 0.18 1.47 0.74 -1.23 -4.86 119.66 115.70 2k1r s GLN 53 Ca 0.25 0.13 -0.03 0.00 0.05 0.00 0.00 55.36 55.75 2k1r s GLN 53 Cb 0.15 0.48 -0.03 0.00 1.10 0.00 0.00 33.01 34.70 2k1r s GLN 53 CO 0.14 -0.32 0.16 0.95 -0.55 0.00 0.00 175.29 175.67 2k1r s THR 54 N -1.42 0.05 0.41 -0.34 -4.23 -1.26 -4.47 115.64 104.38 2k1r s THR 54 Ca -0.10 -1.82 0.14 0.00 -1.18 0.00 0.00 61.69 58.73 2k1r s THR 54 Cb -0.01 -2.21 0.34 0.00 1.34 0.00 0.00 72.50 71.96 2k1r s THR 54 CO 0.07 -0.21 1.92 -0.65 -0.54 0.00 0.00 174.62 175.22 2k1r h PRO 55 N 2.66 0.47 -0.99 3.99 0.11 -2.01 -1.79 132.00 134.44 2k1r h PRO 55 Ca -0.34 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.78 2k1r h PRO 55 Cb 1.23 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2k1r h PRO 55 CO 0.53 0.31 0.65 -0.22 -0.21 0.00 0.00 178.00 179.05 2k1r h LYS 56 N 0.48 1.21 -0.74 1.05 1.63 -1.98 0.94 116.57 119.16 2k1r h LYS 56 Ca 0.37 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2k1r h LYS 56 Cb 0.75 -0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 2k1r h LYS 56 CO -0.13 0.80 0.31 1.15 -3.45 0.00 0.00 179.45 178.13 2k1r h THR 57 N 1.25 1.25 -0.26 1.00 2.02 -1.73 -0.79 112.91 115.64 2k1r h THR 57 Ca 0.40 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 2k1r h THR 57 Cb 0.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2k1r h THR 57 CO -0.12 0.31 -0.17 -0.07 0.37 0.00 0.00 175.52 175.83 2k1r h LEU 58 N 1.06 0.60 -0.45 2.58 4.07 -1.09 -1.49 115.31 120.60 2k1r h LEU 58 Ca 0.25 -0.43 0.03 0.00 0.08 0.00 0.00 57.88 57.81 2k1r h LEU 58 Cb 0.18 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2k1r h LEU 58 CO -0.02 0.91 0.24 1.56 -1.08 0.00 0.00 178.44 180.04 2k1r h GLN 59 N 0.30 0.46 0.00 1.13 4.20 -0.67 -2.53 115.11 118.00 2k1r h GLN 59 Ca 0.05 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2k1r h GLN 59 Cb 0.70 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2k1r h GLN 59 CO 0.05 0.31 -0.24 1.49 -0.67 0.00 0.00 178.83 179.77 2k1r h GLU 60 N 0.48 0.00 0.00 1.46 4.81 -1.10 -2.40 114.58 117.83 2k1r h GLU 60 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2k1r h GLU 60 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2k1r h GLU 60 CO -0.12 0.24 -0.05 0.00 -0.73 0.00 0.00 179.01 178.35 2k1r h ALA 61 N 1.76 1.05 -0.14 2.92 0.00 -0.82 -2.02 119.26 122.01 2k1r h ALA 61 Ca -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2k1r h ALA 61 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k1r h ALA 61 CO 0.03 0.06 -0.62 0.82 0.00 0.00 0.00 179.25 179.54 2k1r h ILE 62 N 0.00 1.34 0.00 0.00 1.08 -1.33 -3.37 117.51 115.23 2k1r h ILE 62 Ca -0.00 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 2k1r h ILE 62 Cb 0.41 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 2k1r h ILE 62 CO 0.01 0.59 0.00 -0.78 -0.69 0.00 0.00 178.15 177.28 2k1r h ASP 63 N 0.36 0.00 -0.02 1.72 3.58 -1.36 -2.05 116.42 118.65 2k1r h ASP 63 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k1r h ASP 63 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k1r h ASP 63 CO 0.11 0.00 0.00 0.44 -2.88 0.00 0.00 179.24 176.91 2k1r h ASP 64 N 0.00 0.05 -1.70 2.28 3.32 -1.72 -3.44 116.42 115.20 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 0.46 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2k1r h ASP 64 CO 0.00 0.06 0.00 0.23 -1.72 0.00 0.00 179.24 177.81 2k1r n MET 65 N -4.51 3.18 -3.63 3.56 2.81 -0.77 -5.09 117.12 112.68 2k1r n MET 65 Ca -0.02 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.59 2k1r n MET 65 Cb 0.11 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.52 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 3.99 2.43 3.03 0.00 -1.26 -5.06 105.19 113.31 2k1r n GLY 66 Ca 0.00 -2.43 -0.18 0.00 0.00 0.00 0.00 46.02 43.41 2k1r n GLY 66 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k1r n PHE 67 N 1.64 0.07 -4.02 1.61 3.72 -1.26 -4.98 117.46 114.24 2k1r n PHE 67 Ca 0.25 -1.90 -0.12 0.00 -0.05 0.00 0.00 57.45 55.63 2k1r n PHE 67 Cb 0.40 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.82 2k1r n PHE 67 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k1r s ASP 68 N -2.81 0.48 0.02 4.37 1.01 -1.26 -4.91 116.67 113.57 2k1r s ASP 68 Ca 0.15 -0.40 -0.23 0.00 0.71 0.00 0.00 52.55 52.78 2k1r s ASP 68 Cb 0.01 0.04 0.05 0.00 1.01 0.00 0.00 42.92 44.03 2k1r s ASP 68 CO 0.11 -0.18 0.52 0.00 0.21 0.00 0.00 175.17 175.83 2k1r s ALA 69 N -1.08 -1.32 -0.04 5.23 0.00 -1.26 -1.42 121.76 121.86 2k1r s ALA 69 Ca -0.10 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 2k1r s ALA 69 Cb -0.08 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2k1r s ALA 69 CO -0.00 -0.44 0.14 0.08 0.00 0.00 0.00 175.76 175.53 2k1r s VAL 70 N -2.04 0.02 0.28 0.00 1.01 -0.09 -4.91 120.40 114.67 2k1r s VAL 70 Ca -0.08 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2k1r s VAL 70 Cb -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 2k1r s VAL 70 CO 0.01 -0.07 0.95 -0.63 0.00 0.00 0.00 175.10 175.36 2k1r s ILE 71 N -0.19 4.10 0.13 2.22 1.01 -1.26 -0.27 121.20 126.94 2k1r s ILE 71 Ca -0.03 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.55 2k1r s ILE 71 Cb -0.02 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2k1r s ILE 71 CO 0.00 0.32 0.17 1.57 0.00 0.00 0.00 174.94 177.00 2k1r n HIS 72 N 1.01 -0.72 -1.37 3.97 -0.00 0.48 -4.85 115.22 113.74 2k1r n HIS 72 Ca 0.00 -0.95 0.00 0.00 0.46 0.00 0.00 57.72 57.23 2k1r n HIS 72 Cb 0.48 0.19 0.00 0.00 -0.12 0.00 0.00 29.99 30.55 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09