#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 -0.63 3.74 -5.12 0.00 -1.26 -5.15 105.19 96.77 2k1r n GLY 2 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.00 3.00 0.04 1.61 -7.23 -1.26 -4.49 120.40 109.07 2k1r s VAL 3 Ca 0.00 0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.39 2k1r s VAL 3 Cb 0.00 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2k1r s VAL 3 CO 0.00 -0.42 0.22 0.21 -0.31 0.00 0.00 175.10 174.80 2k1r s ASN 4 N -3.21 -0.01 0.13 4.85 3.84 -0.92 -4.93 114.94 114.68 2k1r s ASN 4 Ca 0.63 -0.31 -0.14 0.00 0.21 0.00 0.00 52.86 53.24 2k1r s ASN 4 Cb -0.19 0.30 0.02 0.00 -0.55 0.00 0.00 41.25 40.84 2k1r s ASN 4 CO 0.57 -0.56 0.36 -0.94 -2.79 0.00 0.00 177.10 173.73 2k1r s SER 5 N -2.05 -0.13 -0.05 -4.21 1.04 -1.26 -0.69 113.70 106.35 2k1r s SER 5 Ca -0.05 -0.46 -0.25 0.00 0.48 0.00 0.00 55.95 55.67 2k1r s SER 5 Cb -0.01 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2k1r s SER 5 CO -0.03 -0.85 0.55 0.54 0.98 0.00 0.00 173.24 174.42 2k1r s VAL 6 N -3.84 0.02 -0.13 5.02 0.11 -0.34 -5.00 120.40 116.25 2k1r s VAL 6 Ca 0.05 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2k1r s VAL 6 Cb 0.02 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2k1r s VAL 6 CO -0.10 -0.09 0.05 -0.89 -3.33 0.00 0.00 175.10 170.74 2k1r s THR 7 N -1.15 4.67 -0.15 5.04 2.01 -1.26 -1.39 115.64 123.41 2k1r s THR 7 Ca -0.11 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 2k1r s THR 7 Cb -0.02 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.49 2k1r s THR 7 CO 0.08 0.56 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.85 2k1r s ILE 8 N -0.47 1.28 -0.73 1.82 1.01 0.67 -0.59 121.20 124.20 2k1r s ILE 8 Ca 0.09 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 2k1r s ILE 8 Cb -0.12 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2k1r s ILE 8 CO 0.02 0.28 2.00 -0.44 0.00 0.00 0.00 174.94 176.79 2k1r s SER 9 N 1.58 5.01 -1.51 3.58 0.01 0.33 -0.56 113.70 122.13 2k1r s SER 9 Ca 0.03 0.00 -0.12 0.00 1.31 0.00 0.00 55.95 57.17 2k1r s SER 9 Cb -0.14 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 2k1r s SER 9 CO -0.09 -2.71 2.52 0.55 0.41 0.00 0.00 173.24 173.93 2k1r n VAL 10 N 7.69 3.96 0.25 3.43 3.14 -0.86 -0.90 118.33 135.04 2k1r n VAL 10 Ca 0.32 -2.99 0.14 0.00 -2.96 0.00 0.00 64.34 58.85 2k1r n VAL 10 Cb 0.50 -2.57 0.76 0.00 -1.06 0.00 0.00 33.84 31.46 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2k1r h GLU 11 N 5.50 0.00 -0.02 1.45 4.22 -1.31 -1.24 114.58 123.19 2k1r h GLU 11 Ca 0.69 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.13 2k1r h GLU 11 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k1r h GLU 11 CO 1.81 0.00 -0.07 0.41 -2.18 0.00 0.00 179.01 178.98 2k1r n GLY 12 N -1.22 0.08 3.33 1.92 0.00 -0.81 -4.82 105.19 103.66 2k1r n GLY 12 Ca -0.02 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.11 2.47 0.00 1.61 -2.45 -0.47 -4.66 119.30 113.69 2k1r s MET 13 Ca 0.33 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 2k1r s MET 13 Cb 0.20 -2.20 0.00 0.00 1.25 0.00 0.00 34.83 34.09 2k1r s MET 13 CO 0.37 0.47 0.06 -2.37 1.05 0.00 0.00 175.02 174.60 2k1r n THR 14 N 2.72 0.00 -4.42 10.11 5.66 -1.26 -4.64 114.28 122.44 2k1r n THR 14 Ca -0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 2k1r n THR 14 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.75 0.63 -0.01 0.00 2.85 -1.26 -3.05 115.26 113.67 2k1r n ASN 16 Ca -0.02 0.13 0.09 0.00 -0.11 0.00 0.00 54.58 54.67 2k1r n ASN 16 Cb 0.66 0.02 -0.14 0.00 1.24 0.00 0.00 39.78 41.56 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2k1r n SER 17 N -1.97 0.77 -0.10 1.20 3.41 -1.26 -4.19 113.62 111.48 2k1r n SER 17 Ca 0.04 -0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2k1r n SER 17 Cb 0.41 1.80 -0.04 0.00 -0.26 0.00 0.00 64.21 66.12 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 0.42 0.97 -0.82 0.00 -1.51 -1.75 -1.21 116.25 112.35 2k1r h VAL 19 Ca 0.06 -0.34 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2k1r h VAL 19 Cb 0.76 -0.11 -0.04 0.00 -2.13 0.00 0.00 31.29 29.78 2k1r h VAL 19 CO 0.06 0.18 0.50 -0.25 -1.23 0.00 0.00 177.57 176.83 2k1r h TRP 20 N 0.99 1.07 -0.77 5.19 7.01 -1.70 -2.03 115.95 125.72 2k1r h TRP 20 Ca 0.45 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.45 2k1r h TRP 20 Cb 0.35 -0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 2k1r h TRP 20 CO -0.02 0.71 0.51 1.15 -2.79 0.00 0.00 178.44 178.00 2k1r h THR 21 N 1.12 1.20 0.07 2.65 2.02 -0.79 -1.21 112.91 117.97 2k1r h THR 21 Ca 0.29 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2k1r h THR 21 Cb -0.06 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2k1r h THR 21 CO -0.06 0.19 -0.06 0.40 0.37 0.00 0.00 175.52 176.36 2k1r h ILE 22 N 1.04 0.86 -0.98 3.11 1.08 -0.94 -1.13 117.51 120.55 2k1r h ILE 22 Ca 0.28 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.83 2k1r h ILE 22 Cb -0.12 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 2k1r h ILE 22 CO -0.06 0.00 0.64 -0.08 -0.69 0.00 0.00 178.15 177.95 2k1r h GLU 23 N -0.14 1.08 -0.12 2.37 4.81 -0.90 0.43 114.58 122.11 2k1r h GLU 23 Ca 0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2k1r h GLU 23 Cb 0.13 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2k1r h GLU 23 CO -0.01 0.72 -0.33 1.96 -0.73 0.00 0.00 179.01 180.61 2k1r h GLN 24 N 1.11 0.44 -0.05 1.92 1.08 -1.11 -2.55 115.11 115.95 2k1r h GLN 24 Ca 0.44 -0.31 -0.22 0.00 -1.45 0.00 0.00 58.65 57.11 2k1r h GLN 24 Cb 0.23 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2k1r h GLN 24 CO -0.18 0.93 -0.81 1.96 -0.95 0.00 0.00 178.83 179.77 2k1r h GLN 25 N 0.03 0.64 -0.35 1.46 1.08 -0.89 -3.16 115.11 113.93 2k1r h GLN 25 Ca -0.01 -0.62 -0.03 0.00 -1.45 0.00 0.00 58.65 56.55 2k1r h GLN 25 Cb 0.95 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2k1r h GLN 25 CO 0.07 1.23 0.12 0.82 -0.95 0.00 0.00 178.83 180.12 2k1r h ILE 26 N 0.29 1.20 0.00 2.54 1.08 -1.07 -2.44 117.51 119.12 2k1r h ILE 26 Ca -0.09 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2k1r h ILE 26 Cb 1.47 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 2k1r h ILE 26 CO 0.16 0.23 0.00 0.61 -0.69 0.00 0.00 178.15 178.46 2k1r n GLY 27 N -0.67 -0.27 0.00 5.37 0.00 -0.96 -0.56 105.19 108.10 2k1r n GLY 27 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.23 0.65 -2.63 1.61 4.81 -0.92 -4.83 118.16 115.61 2k1r n LYS 28 Ca 0.01 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.00 2k1r n LYS 28 Cb 0.01 -1.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.62 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 -2.87 4.06 0.32 3.15 1.01 0.27 -4.92 120.40 121.41 2k1r s VAL 29 Ca 0.06 0.72 0.08 0.00 0.00 0.00 0.00 61.98 62.83 2k1r s VAL 29 Cb 0.14 -4.71 0.39 0.00 0.00 0.00 0.00 36.38 32.20 2k1r s VAL 29 CO 0.79 -1.36 1.55 -3.20 0.00 0.00 0.00 175.10 172.88 2k1r n ASN 30 N 8.36 0.03 -0.85 3.32 5.15 -1.26 -1.73 115.26 128.27 2k1r n ASN 30 Ca 0.07 1.66 0.00 0.00 -0.60 0.00 0.00 54.58 55.71 2k1r n ASN 30 Cb 0.49 -0.67 0.07 0.00 -0.53 0.00 0.00 39.78 39.14 2k1r n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k1r n GLY 31 N -1.42 1.91 3.88 8.20 0.00 -1.26 -4.88 105.19 111.62 2k1r n GLY 31 Ca 0.28 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.20 4.82 0.00 1.61 -7.23 -0.71 -0.27 120.40 117.42 2k1r s VAL 32 Ca 0.10 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2k1r s VAL 32 Cb 0.08 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.31 2k1r s VAL 32 CO 0.03 -0.42 0.00 1.41 -0.31 0.00 0.00 175.10 175.81 2k1r n HIS 33 N -1.05 0.00 -3.71 2.82 8.25 0.30 -4.82 115.22 117.02 2k1r n HIS 33 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2k1r n HIS 33 Cb 0.54 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.92 -0.53 -0.11 4.41 2.46 -1.00 -5.00 115.29 113.59 2k1r s HIS 34 Ca 0.00 1.19 0.02 0.00 0.47 0.00 0.00 55.06 56.74 2k1r s HIS 34 Cb 0.00 0.21 -0.01 0.00 -0.13 0.00 0.00 32.58 32.65 2k1r s HIS 34 CO 0.00 -0.28 -0.18 -1.50 -2.47 0.00 0.00 174.74 170.31 2k1r s ILE 35 N 0.88 2.62 0.02 0.89 -1.16 -1.26 -0.49 121.20 122.69 2k1r s ILE 35 Ca -0.05 -0.82 0.09 0.00 -0.51 0.00 0.00 60.65 59.35 2k1r s ILE 35 Cb -0.06 -2.05 -0.03 0.00 0.61 0.00 0.00 42.46 40.93 2k1r s ILE 35 CO -0.07 0.54 -0.26 -0.75 -2.81 0.00 0.00 174.94 171.60 2k1r s LYS 36 N 0.25 1.93 -0.01 3.50 2.20 0.17 -5.02 119.74 122.78 2k1r s LYS 36 Ca -0.12 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2k1r s LYS 36 Cb -0.16 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.15 2k1r s LYS 36 CO 0.07 0.53 0.00 0.14 -0.36 0.00 0.00 175.35 175.73 2k1r s VAL 37 N -0.75 0.04 -0.11 4.02 -7.23 -1.26 -0.76 120.40 114.36 2k1r s VAL 37 Ca 0.11 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.31 2k1r s VAL 37 Cb -0.10 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.79 2k1r s VAL 37 CO 0.01 0.04 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.34 2k1r s SER 38 N 0.28 2.18 -0.01 4.85 0.01 -0.32 -5.01 113.70 115.68 2k1r s SER 38 Ca -0.02 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.01 2k1r s SER 38 Cb -0.04 -0.79 -0.23 0.00 0.21 0.00 0.00 66.02 65.17 2k1r s SER 38 CO -0.01 -0.14 0.79 0.17 0.41 0.00 0.00 173.24 174.47 2k1r h LEU 39 N 8.19 0.04 -0.94 2.44 8.10 -1.90 -1.19 115.31 130.07 2k1r h LEU 39 Ca -0.28 -0.08 -0.10 0.00 0.11 0.00 0.00 57.88 57.53 2k1r h LEU 39 Cb 1.13 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 41.32 2k1r h LEU 39 CO 0.38 1.07 -0.34 -0.33 -4.11 0.00 0.00 178.44 175.11 2k1r h GLU 40 N 0.01 0.36 -0.42 0.17 5.08 -1.94 -2.99 114.58 114.84 2k1r h GLU 40 Ca -0.23 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2k1r h GLU 40 Cb 1.96 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2k1r h GLU 40 CO 0.10 0.66 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 2k1r n GLU 41 N -4.07 2.93 -4.06 2.33 1.02 -1.25 -5.03 120.64 112.51 2k1r n GLU 41 Ca -0.01 -2.31 -0.31 0.00 -0.02 0.00 0.00 57.16 54.51 2k1r n GLU 41 Cb 0.45 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.63 -3.71 -3.89 3.49 5.02 -0.63 -4.96 118.16 114.11 2k1r n LYS 42 Ca 0.16 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.77 2k1r n LYS 42 Cb 0.55 -4.98 -0.12 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.70 0.03 -0.13 4.39 2.20 -0.55 -2.03 114.94 115.15 2k1r s ASN 43 Ca 0.45 -0.09 0.03 0.00 -0.94 0.00 0.00 52.86 52.30 2k1r s ASN 43 Cb -0.24 0.15 0.01 0.00 -2.00 0.00 0.00 41.25 39.16 2k1r s ASN 43 CO 0.89 -0.16 -0.22 0.00 -2.94 0.00 0.00 177.10 174.67 2k1r s ALA 44 N -0.63 2.20 -0.12 3.54 0.00 0.28 -1.17 121.76 125.85 2k1r s ALA 44 Ca -0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2k1r s ALA 44 Cb -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2k1r s ALA 44 CO 0.00 0.04 -0.09 0.99 0.00 0.00 0.00 175.76 176.71 2k1r s THR 45 N 0.71 1.12 -0.03 0.00 2.01 0.06 -0.24 115.64 119.29 2k1r s THR 45 Ca -0.10 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2k1r s THR 45 Cb -0.16 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.24 2k1r s THR 45 CO 0.01 0.38 0.07 -0.51 -0.69 0.00 0.00 174.62 173.87 2k1r s ILE 46 N 1.67 -0.02 -0.24 1.82 -1.16 -0.49 -0.65 121.20 122.13 2k1r s ILE 46 Ca 0.05 0.08 -0.09 0.00 -0.51 0.00 0.00 60.65 60.19 2k1r s ILE 46 Cb -0.13 -0.12 -0.04 0.00 0.61 0.00 0.00 42.46 42.79 2k1r s ILE 46 CO -0.09 0.03 0.11 -0.63 -2.81 0.00 0.00 174.94 171.56 2k1r s ILE 47 N 0.49 4.82 0.23 2.00 1.01 0.36 -1.19 121.20 128.91 2k1r s ILE 47 Ca -0.04 -0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.71 2k1r s ILE 47 Cb -0.05 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2k1r s ILE 47 CO -0.02 0.35 -0.19 -0.72 0.00 0.00 0.00 174.94 174.36 2k1r s TYR 48 N 1.26 2.06 -0.38 3.97 1.13 0.13 -0.54 117.35 124.98 2k1r s TYR 48 Ca 0.06 -0.42 -0.27 0.00 -1.41 0.00 0.00 57.07 55.02 2k1r s TYR 48 Cb -0.14 -0.95 0.02 0.00 -1.10 0.00 0.00 41.96 39.78 2k1r s TYR 48 CO 0.05 0.52 1.02 0.34 -2.51 0.00 0.00 175.55 174.97 2k1r s ASP 49 N -3.16 6.73 0.00 -0.18 -1.08 0.63 -2.18 116.67 117.43 2k1r s ASP 49 Ca 0.24 0.67 0.16 0.00 -0.52 0.00 0.00 52.55 53.10 2k1r s ASP 49 Cb -0.05 -2.51 0.87 0.00 -1.46 0.00 0.00 42.92 39.78 2k1r s ASP 49 CO 0.11 -0.97 1.45 -0.81 0.52 0.00 0.00 175.17 175.47 2k1r n PRO 50 N 7.07 0.32 0.08 4.34 -0.04 -1.26 -1.75 135.00 143.76 2k1r n PRO 50 Ca 0.10 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2k1r n PRO 50 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.25 0.00 0.54 1.57 -1.92 -3.39 116.57 113.62 2k1r h LYS 51 Ca 0.00 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 2k1r h LYS 51 Cb 0.10 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2k1r h LYS 51 CO 0.00 1.04 -2.01 1.28 -0.57 0.00 0.00 179.45 179.19 2k1r n LEU 52 N -3.64 0.00 -4.46 2.94 4.32 -0.81 -5.06 117.00 110.29 2k1r n LEU 52 Ca -0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.72 2k1r n LEU 52 Cb 0.86 0.23 -0.11 0.00 -1.62 0.00 0.00 43.42 42.78 2k1r n LEU 52 CO 0.50 0.23 -0.28 -1.10 -1.22 0.00 0.00 177.39 175.52 2k1r s GLN 53 N -2.78 1.67 0.12 3.23 -0.21 -0.72 -4.89 119.66 116.08 2k1r s GLN 53 Ca -0.08 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.38 2k1r s GLN 53 Cb 0.08 -0.95 -0.04 0.00 1.00 0.00 0.00 33.01 33.10 2k1r s GLN 53 CO 0.72 -0.16 0.00 0.95 -2.12 0.00 0.00 175.29 174.68 2k1r s THR 54 N -3.23 0.39 0.43 -0.19 -4.23 -1.26 -4.58 115.64 102.96 2k1r s THR 54 Ca 0.36 -1.91 0.22 0.00 -1.18 0.00 0.00 61.69 59.18 2k1r s THR 54 Cb 0.09 -1.89 0.42 0.00 1.34 0.00 0.00 72.50 72.45 2k1r s THR 54 CO 0.15 -0.65 1.79 -0.65 -0.54 0.00 0.00 174.62 174.72 2k1r h PRO 55 N 2.90 0.30 -0.70 3.99 0.11 -2.00 0.98 132.00 137.59 2k1r h PRO 55 Ca -0.35 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.87 2k1r h PRO 55 Cb 1.18 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2k1r h PRO 55 CO 0.62 0.20 0.24 -0.22 -0.21 0.00 0.00 178.00 178.63 2k1r h LYS 56 N 0.31 0.37 -0.67 1.05 1.63 -1.99 -0.18 116.57 117.10 2k1r h LYS 56 Ca 0.57 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.40 2k1r h LYS 56 Cb 1.61 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 33.11 2k1r h LYS 56 CO -0.23 0.25 0.38 1.15 -3.45 0.00 0.00 179.45 177.55 2k1r h THR 57 N 0.38 1.01 -0.64 1.00 2.02 -1.20 -0.32 112.91 115.16 2k1r h THR 57 Ca 0.37 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 2k1r h THR 57 Cb 0.56 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2k1r h THR 57 CO -0.40 0.13 0.08 -0.07 0.37 0.00 0.00 175.52 175.63 2k1r h LEU 58 N 0.73 1.04 -0.62 2.58 -0.00 -1.23 -1.61 115.31 116.20 2k1r h LEU 58 Ca 0.29 -0.26 -0.07 0.00 -0.00 0.00 0.00 57.88 57.84 2k1r h LEU 58 Cb 0.13 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.49 2k1r h LEU 58 CO -0.16 1.04 0.11 1.56 -0.00 0.00 0.00 178.44 181.00 2k1r h GLN 59 N 1.00 1.02 -0.00 1.13 4.20 -0.61 -3.17 115.11 118.68 2k1r h GLN 59 Ca 0.19 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 2k1r h GLN 59 Cb 0.47 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2k1r h GLN 59 CO 0.02 0.95 -0.55 0.93 -0.67 0.00 0.00 178.83 179.51 2k1r h GLU 60 N 0.93 0.00 -0.19 1.46 4.39 -0.84 -2.86 114.58 117.47 2k1r h GLU 60 Ca 0.19 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.91 2k1r h GLU 60 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k1r h GLU 60 CO 0.01 0.55 0.13 0.00 -1.16 0.00 0.00 179.01 178.54 2k1r h ALA 61 N 1.45 1.95 -0.04 3.43 0.00 -1.26 -2.22 119.26 122.57 2k1r h ALA 61 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2k1r h ALA 61 Cb 0.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k1r h ALA 61 CO 0.07 0.02 -0.56 0.82 0.00 0.00 0.00 179.25 179.61 2k1r h ILE 62 N 0.18 1.39 0.00 0.00 1.08 -1.56 -3.32 117.51 115.28 2k1r h ILE 62 Ca 0.08 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 2k1r h ILE 62 Cb 0.08 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2k1r h ILE 62 CO -0.01 0.55 0.00 -0.67 -0.69 0.00 0.00 178.15 177.33 2k1r n ASP 63 N -3.89 0.00 0.24 1.72 2.03 -0.83 -1.71 116.55 114.10 2k1r n ASP 63 Ca -0.02 0.01 0.12 0.00 0.52 0.00 0.00 54.79 55.42 2k1r n ASP 63 Cb 0.57 -0.28 0.56 0.00 -0.72 0.00 0.00 41.12 41.26 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 -4.51 1.67 5.19 -1.68 -3.45 116.42 113.64 2k1r h ASP 64 Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 2k1r h ASP 64 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2k1r h ASP 64 CO 0.00 0.18 -0.02 0.23 -3.12 0.00 0.00 179.24 176.50 2k1r n MET 65 N -3.42 0.96 -2.77 3.56 2.81 -0.69 -5.07 117.12 112.49 2k1r n MET 65 Ca -0.00 -0.71 -0.32 0.00 -1.81 0.00 0.00 57.70 54.86 2k1r n MET 65 Cb 0.36 -0.04 -0.02 0.00 -0.71 0.00 0.00 33.22 32.82 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 3.42 5.80 2.64 3.03 0.00 -1.26 -5.05 105.19 113.78 2k1r n GLY 66 Ca 0.03 -2.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.23 -1.60 -4.46 1.61 3.72 -1.26 -5.02 117.46 110.22 2k1r n PHE 67 Ca 0.37 -1.54 -0.23 0.00 -0.05 0.00 0.00 57.45 56.01 2k1r n PHE 67 Cb 0.37 -0.34 -0.13 0.00 -0.94 0.00 0.00 39.48 38.43 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 -3.33 2.12 -0.21 4.37 1.01 -1.26 -4.86 116.67 114.52 2k1r s ASP 68 Ca 0.30 -0.52 -0.16 0.00 0.71 0.00 0.00 52.55 52.88 2k1r s ASP 68 Cb -0.02 -0.15 0.06 0.00 1.01 0.00 0.00 42.92 43.81 2k1r s ASP 68 CO 0.19 0.09 0.54 0.00 0.21 0.00 0.00 175.17 176.20 2k1r s ALA 69 N -0.89 -1.36 -0.02 5.23 0.00 -1.26 -1.20 121.76 122.26 2k1r s ALA 69 Ca 0.05 1.67 0.01 0.00 0.00 0.00 0.00 51.96 53.69 2k1r s ALA 69 Cb -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2k1r s ALA 69 CO 0.02 -0.28 -0.02 0.08 0.00 0.00 0.00 175.76 175.56 2k1r s VAL 70 N 0.74 0.24 0.06 0.00 1.01 -0.08 -4.96 120.40 117.41 2k1r s VAL 70 Ca -0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2k1r s VAL 70 Cb -0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 2k1r s VAL 70 CO -0.05 0.12 1.37 -0.63 0.00 0.00 0.00 175.10 175.90 2k1r s ILE 71 N 0.57 3.59 0.00 2.22 -1.09 -1.26 -0.52 121.20 124.71 2k1r s ILE 71 Ca -0.06 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2k1r s ILE 71 Cb -0.09 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2k1r s ILE 71 CO -0.01 0.05 0.00 1.57 -1.23 0.00 0.00 174.94 175.32 2k1r n HIS 72 N 4.55 0.00 -0.93 3.97 -0.00 0.24 -4.87 115.22 118.19 2k1r n HIS 72 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2k1r n HIS 72 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09