#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 -1.74 3.76 3.03 0.00 -1.26 -4.98 105.19 103.99 2k1r n GLY 2 Ca 0.00 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2k1r n GLY 2 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k1r n VAL 3 N 0.00 1.31 -4.20 1.61 0.24 -1.26 -4.31 118.33 111.71 2k1r n VAL 3 Ca 0.00 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 2k1r n VAL 3 Cb 0.00 -1.98 -0.14 0.00 -1.47 0.00 0.00 33.84 30.25 2k1r n VAL 3 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2k1r s ASN 4 N 0.32 0.73 0.14 -1.34 3.04 -0.97 -4.98 114.94 111.87 2k1r s ASN 4 Ca 0.61 -0.13 -0.04 0.00 0.04 0.00 0.00 52.86 53.34 2k1r s ASN 4 Cb -0.49 -0.08 -0.03 0.00 -1.54 0.00 0.00 41.25 39.12 2k1r s ASN 4 CO 0.53 0.07 0.15 -0.94 -3.04 0.00 0.00 177.10 173.86 2k1r s SER 5 N -0.20 0.20 -0.09 -4.21 1.04 -1.26 -1.08 113.70 108.11 2k1r s SER 5 Ca 0.02 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.25 2k1r s SER 5 Cb -0.03 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.48 2k1r s SER 5 CO -0.00 -0.79 0.35 0.54 0.98 0.00 0.00 173.24 174.32 2k1r s VAL 6 N -4.01 0.02 -0.21 5.02 0.11 -0.34 -5.01 120.40 115.98 2k1r s VAL 6 Ca 0.21 -0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2k1r s VAL 6 Cb 0.06 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2k1r s VAL 6 CO 0.01 -0.10 0.09 -0.89 -3.33 0.00 0.00 175.10 170.87 2k1r s THR 7 N -0.45 4.88 -0.10 5.04 2.01 -1.26 -1.84 115.64 123.92 2k1r s THR 7 Ca -0.06 0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2k1r s THR 7 Cb -0.04 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.25 2k1r s THR 7 CO 0.02 0.41 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.53 2k1r s ILE 8 N 0.74 1.83 -0.35 1.82 1.01 0.24 -0.43 121.20 126.06 2k1r s ILE 8 Ca 0.05 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 2k1r s ILE 8 Cb -0.13 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.74 2k1r s ILE 8 CO 0.02 0.51 1.24 -0.55 0.00 0.00 0.00 174.94 176.16 2k1r s SER 9 N 0.59 6.68 -1.25 3.58 0.15 0.32 -0.38 113.70 123.38 2k1r s SER 9 Ca -0.14 1.00 -0.09 0.00 0.70 0.00 0.00 55.95 57.42 2k1r s SER 9 Cb -0.17 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.79 2k1r s SER 9 CO 0.04 -1.11 1.79 1.33 1.20 0.00 0.00 173.24 176.49 2k1r n VAL 10 N 6.36 4.45 -0.30 4.45 0.24 0.16 -0.44 118.33 133.25 2k1r n VAL 10 Ca 0.14 -4.60 0.34 0.00 -2.04 0.00 0.00 64.34 58.18 2k1r n VAL 10 Cb 0.47 -2.34 0.68 0.00 -1.47 0.00 0.00 33.84 31.18 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 5.82 0.00 0.00 7.34 4.39 -1.22 -1.00 114.58 129.91 2k1r h GLU 11 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2k1r h GLU 11 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2k1r h GLU 11 CO 1.56 0.00 -1.57 0.41 -1.16 0.00 0.00 179.01 178.26 2k1r n GLY 12 N -1.74 -1.09 3.50 -3.84 0.00 -1.01 -4.88 105.19 96.14 2k1r n GLY 12 Ca 0.26 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.37 3.26 -0.18 1.61 -2.45 -0.38 -4.82 119.30 112.97 2k1r s MET 13 Ca -0.03 -0.44 -0.14 0.00 -1.25 0.00 0.00 55.69 53.83 2k1r s MET 13 Cb 0.14 -4.11 0.05 0.00 1.25 0.00 0.00 34.83 32.16 2k1r s MET 13 CO 0.87 -1.61 0.47 -0.08 1.05 0.00 0.00 175.02 175.72 2k1r s THR 14 N 4.05 -0.01 0.00 10.11 -1.32 -1.26 -4.43 115.64 122.79 2k1r s THR 14 Ca 0.28 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2k1r s THR 14 Cb -0.14 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 2k1r s THR 14 CO 0.16 0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.58 2k1r n ASN 16 N 0.00 0.00 0.00 0.00 2.85 -1.26 -4.97 115.26 111.88 2k1r n ASN 16 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k1r n ASN 16 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2k1r n SER 17 N -0.18 0.05 0.14 1.20 7.64 -1.26 -4.84 113.62 116.36 2k1r n SER 17 Ca 0.00 -0.42 0.19 0.00 1.01 0.00 0.00 58.87 59.64 2k1r n SER 17 Cb 0.00 0.07 0.78 0.00 -1.01 0.00 0.00 64.21 64.05 2k1r n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1r h VAL 19 N 0.00 0.81 -0.68 0.00 -1.51 -1.93 -2.35 116.25 110.59 2k1r h VAL 19 Ca 0.15 -0.14 0.01 0.00 -1.23 0.00 0.00 66.70 65.49 2k1r h VAL 19 Cb 0.78 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.27 2k1r h VAL 19 CO -0.00 0.07 0.45 -0.25 -1.23 0.00 0.00 177.57 176.61 2k1r h TRP 20 N 0.41 0.85 0.07 5.19 7.01 -1.82 -2.79 115.95 124.87 2k1r h TRP 20 Ca 0.36 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.40 2k1r h TRP 20 Cb 0.81 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 2k1r h TRP 20 CO -0.00 0.53 -0.21 1.15 -2.79 0.00 0.00 178.44 177.12 2k1r h THR 21 N 0.91 0.53 -0.49 2.65 2.02 -1.63 -1.77 112.91 115.13 2k1r h THR 21 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 2k1r h THR 21 Cb -0.09 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2k1r h THR 21 CO -0.06 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.53 2k1r h ILE 22 N -0.37 1.15 -0.78 3.11 5.03 -1.60 -0.73 117.51 123.32 2k1r h ILE 22 Ca 0.04 -0.36 -0.03 0.00 -0.12 0.00 0.00 64.86 64.39 2k1r h ILE 22 Cb 0.41 0.50 -0.04 0.00 -3.03 0.00 0.00 36.82 34.67 2k1r h ILE 22 CO -0.14 0.16 0.38 -0.08 -0.68 0.00 0.00 178.15 177.79 2k1r h GLU 23 N 0.66 1.12 0.00 2.37 4.81 -1.33 0.99 114.58 123.19 2k1r h GLU 23 Ca 0.18 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2k1r h GLU 23 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2k1r h GLU 23 CO -0.03 0.86 -0.39 1.96 -0.73 0.00 0.00 179.01 180.67 2k1r h GLN 24 N 1.10 0.00 0.32 1.92 1.08 -0.92 -0.96 115.11 117.65 2k1r h GLN 24 Ca 0.27 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2k1r h GLN 24 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2k1r h GLN 24 CO -0.04 0.39 -0.16 1.96 -0.95 0.00 0.00 178.83 180.04 2k1r h GLN 25 N 0.00 -0.42 -0.20 1.46 4.20 -0.81 -3.40 115.11 115.94 2k1r h GLN 25 Ca -0.00 0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 2k1r h GLN 25 Cb 0.95 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 2k1r h GLN 25 CO 0.05 -0.24 -0.34 0.82 -0.67 0.00 0.00 178.83 178.46 2k1r h ILE 26 N -1.09 1.33 0.00 2.54 1.08 -0.87 -3.15 117.51 117.35 2k1r h ILE 26 Ca -0.04 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 2k1r h ILE 26 Cb 0.38 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 2k1r h ILE 26 CO 0.07 0.48 0.00 0.61 -0.69 0.00 0.00 178.15 178.62 2k1r n GLY 27 N 0.36 -0.50 0.46 5.37 0.00 -0.37 -0.41 105.19 110.10 2k1r n GLY 27 Ca -0.06 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2k1r n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k1r n LYS 28 N -1.43 1.40 -2.62 1.61 4.01 -1.19 -4.90 118.16 115.04 2k1r n LYS 28 Ca 0.01 -1.08 -0.42 0.00 -0.51 0.00 0.00 58.31 56.31 2k1r n LYS 28 Cb 0.02 -1.24 -0.03 0.00 -0.51 0.00 0.00 35.03 33.27 2k1r n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2k1r s VAL 29 N -1.44 4.05 0.27 -0.18 1.01 0.45 -4.93 120.40 119.64 2k1r s VAL 29 Ca 0.14 0.75 0.19 0.00 0.00 0.00 0.00 61.98 63.06 2k1r s VAL 29 Cb 0.12 -4.72 0.30 0.00 0.00 0.00 0.00 36.38 32.08 2k1r s VAL 29 CO 0.26 -1.36 0.99 -3.20 0.00 0.00 0.00 175.10 171.80 2k1r n ASN 30 N 8.37 0.15 0.08 3.32 2.85 -1.26 -1.20 115.26 127.57 2k1r n ASN 30 Ca 0.07 0.91 0.13 0.00 -0.11 0.00 0.00 54.58 55.58 2k1r n ASN 30 Cb 0.49 -0.45 0.29 0.00 1.24 0.00 0.00 39.78 41.35 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 -1.30 -1.56 3.72 8.20 0.00 -1.26 -4.96 105.19 108.03 2k1r n GLY 31 Ca 0.25 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.17 3.43 -0.01 1.61 0.24 -0.34 -0.59 118.33 120.50 2k1r n VAL 32 Ca 0.04 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.84 2k1r n VAL 32 Cb 0.43 -1.62 -0.01 0.00 -1.47 0.00 0.00 33.84 31.17 2k1r n VAL 32 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2k1r n HIS 33 N -0.83 0.00 -3.66 6.34 8.25 0.67 -4.84 115.22 121.16 2k1r n HIS 33 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 2k1r n HIS 33 Cb 0.43 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.03 -0.61 -0.08 4.41 2.46 -0.61 -4.98 115.29 113.85 2k1r s HIS 34 Ca -0.02 1.41 0.04 0.00 0.47 0.00 0.00 55.06 56.97 2k1r s HIS 34 Cb 0.01 0.23 -0.00 0.00 -0.13 0.00 0.00 32.58 32.69 2k1r s HIS 34 CO 0.05 -0.35 -0.22 -1.50 -2.47 0.00 0.00 174.74 170.25 2k1r s ILE 35 N 0.00 1.87 0.01 0.89 -1.16 -1.26 -0.94 121.20 120.61 2k1r s ILE 35 Ca -0.02 -0.93 0.04 0.00 -0.51 0.00 0.00 60.65 59.22 2k1r s ILE 35 Cb -0.04 -1.61 -0.01 0.00 0.61 0.00 0.00 42.46 41.41 2k1r s ILE 35 CO 0.02 0.52 -0.12 -0.75 -2.81 0.00 0.00 174.94 171.80 2k1r s LYS 36 N 0.19 0.89 -0.08 3.50 2.20 -0.40 -5.03 119.74 121.01 2k1r s LYS 36 Ca -0.12 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 2k1r s LYS 36 Cb -0.16 -0.86 0.05 0.00 -1.51 0.00 0.00 37.83 35.35 2k1r s LYS 36 CO 0.06 0.23 0.16 0.14 -0.36 0.00 0.00 175.35 175.57 2k1r s VAL 37 N -0.52 -0.24 -0.53 4.02 -7.23 -1.26 -0.81 120.40 113.83 2k1r s VAL 37 Ca 0.03 0.34 -0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2k1r s VAL 37 Cb -0.06 -0.29 0.14 0.00 0.56 0.00 0.00 36.38 36.73 2k1r s VAL 37 CO 0.00 0.14 0.34 -0.44 -0.31 0.00 0.00 175.10 174.83 2k1r s SER 38 N 2.17 5.28 0.54 4.85 0.01 0.21 -4.96 113.70 121.81 2k1r s SER 38 Ca 0.02 -2.45 0.25 0.00 1.31 0.00 0.00 55.95 55.08 2k1r s SER 38 Cb -0.12 -1.86 1.53 0.00 0.21 0.00 0.00 66.02 65.78 2k1r s SER 38 CO -0.06 -0.46 2.16 0.17 0.41 0.00 0.00 173.24 175.46 2k1r h LEU 39 N 7.55 0.00 -0.53 2.44 8.10 -1.83 -1.46 115.31 129.58 2k1r h LEU 39 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 2k1r h LEU 39 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 2k1r h LEU 39 CO 0.72 0.06 0.00 1.05 -4.11 0.00 0.00 178.44 176.15 2k1r h GLU 40 N 0.00 0.00 0.00 0.17 9.09 -1.93 -3.23 114.58 118.68 2k1r h GLU 40 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 2k1r h GLU 40 Cb 0.13 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.11 2k1r h GLU 40 CO 0.01 0.00 -0.58 0.39 0.05 0.00 0.00 179.01 178.88 2k1r n GLU 41 N -2.53 0.45 -3.28 1.06 1.02 -0.97 -5.05 120.64 111.34 2k1r n GLU 41 Ca 0.03 -1.91 -0.22 0.00 -0.02 0.00 0.00 57.16 55.05 2k1r n GLU 41 Cb 0.35 -0.68 -0.01 0.00 -0.02 0.00 0.00 31.44 31.08 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 -0.25 -3.09 -4.09 3.49 5.02 -0.59 -4.94 118.16 113.71 2k1r n LYS 42 Ca 0.07 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.68 2k1r n LYS 42 Cb 0.83 -5.10 -0.11 0.00 -0.02 0.00 0.00 35.03 30.62 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 -2.64 0.86 -0.07 4.39 2.20 -1.03 -0.67 114.94 117.99 2k1r s ASN 43 Ca 0.36 -0.69 0.02 0.00 -0.94 0.00 0.00 52.86 51.61 2k1r s ASN 43 Cb -0.19 0.07 0.01 0.00 -2.00 0.00 0.00 41.25 39.14 2k1r s ASN 43 CO 0.44 -0.30 -0.11 0.00 -2.94 0.00 0.00 177.10 174.18 2k1r s ALA 44 N -2.13 1.22 -0.12 3.54 0.00 0.49 -0.62 121.76 124.13 2k1r s ALA 44 Ca -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2k1r s ALA 44 Cb -0.05 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2k1r s ALA 44 CO -0.02 0.07 -0.03 0.99 0.00 0.00 0.00 175.76 176.78 2k1r s THR 45 N 0.75 0.77 -0.12 0.00 2.01 0.01 -0.59 115.64 118.46 2k1r s THR 45 Ca -0.13 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 2k1r s THR 45 Cb -0.15 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.46 2k1r s THR 45 CO 0.03 0.20 0.30 -0.51 -0.69 0.00 0.00 174.62 173.94 2k1r s ILE 46 N 1.80 -0.01 -0.11 1.82 -1.16 -0.76 -1.27 121.20 121.51 2k1r s ILE 46 Ca 0.03 0.05 0.03 0.00 -0.51 0.00 0.00 60.65 60.25 2k1r s ILE 46 Cb -0.14 -0.44 -0.01 0.00 0.61 0.00 0.00 42.46 42.49 2k1r s ILE 46 CO -0.07 0.02 -0.20 -0.63 -2.81 0.00 0.00 174.94 171.25 2k1r s ILE 47 N 0.59 2.47 0.12 2.00 1.01 -0.12 -1.20 121.20 126.08 2k1r s ILE 47 Ca -0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 2k1r s ILE 47 Cb -0.05 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2k1r s ILE 47 CO -0.04 0.55 0.13 -0.72 0.00 0.00 0.00 174.94 174.86 2k1r s TYR 48 N 0.25 0.54 -0.19 3.97 -0.85 -0.24 -0.24 117.35 120.60 2k1r s TYR 48 Ca -0.13 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.17 2k1r s TYR 48 Cb -0.17 -0.27 -0.00 0.00 0.38 0.00 0.00 41.96 41.90 2k1r s TYR 48 CO 0.07 -0.55 1.12 0.34 -1.52 0.00 0.00 175.55 175.00 2k1r s ASP 49 N -2.97 7.06 0.40 -0.18 -1.08 0.24 -2.30 116.67 117.85 2k1r s ASP 49 Ca 0.15 1.52 0.29 0.00 -0.52 0.00 0.00 52.55 53.99 2k1r s ASP 49 Cb 0.06 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.31 2k1r s ASP 49 CO -0.03 -0.67 1.87 1.55 0.52 0.00 0.00 175.17 178.40 2k1r h PRO 50 N 7.66 0.00 0.00 4.34 0.13 -1.77 -1.70 132.00 140.66 2k1r h PRO 50 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2k1r h PRO 50 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2k1r h PRO 50 CO 0.96 0.00 -0.31 0.87 -0.23 0.00 0.00 178.00 179.29 2k1r h LYS 51 N 0.00 0.00 0.00 0.86 1.57 -1.92 -3.35 116.57 113.73 2k1r h LYS 51 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2k1r h LYS 51 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2k1r h LYS 51 CO 0.00 0.31 -1.57 1.28 -0.57 0.00 0.00 179.45 178.90 2k1r n LEU 52 N -3.31 0.00 -3.98 2.94 7.99 -0.85 -5.08 117.00 114.71 2k1r n LEU 52 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.92 2k1r n LEU 52 Cb 0.56 0.05 -0.10 0.00 -0.11 0.00 0.00 43.42 43.81 2k1r n LEU 52 CO 0.36 0.05 -0.30 -1.10 -1.51 0.00 0.00 177.39 174.88 2k1r s GLN 53 N -2.72 0.47 0.24 3.23 -0.21 -0.70 -4.92 119.66 115.06 2k1r s GLN 53 Ca -0.04 -0.77 0.08 0.00 0.02 0.00 0.00 55.36 54.64 2k1r s GLN 53 Cb 0.07 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.20 2k1r s GLN 53 CO 0.48 -0.10 -0.12 0.95 -2.12 0.00 0.00 175.29 174.38 2k1r s THR 54 N -2.33 1.82 0.53 -0.19 -4.23 -1.26 -4.40 115.64 105.59 2k1r s THR 54 Ca -0.08 -2.21 0.26 0.00 -1.18 0.00 0.00 61.69 58.48 2k1r s THR 54 Cb -0.03 -2.22 0.40 0.00 1.34 0.00 0.00 72.50 71.99 2k1r s THR 54 CO -0.04 -0.46 1.99 -0.65 -0.54 0.00 0.00 174.62 174.91 2k1r h PRO 55 N 2.42 0.00 -0.68 3.99 0.11 -2.00 0.01 132.00 135.84 2k1r h PRO 55 Ca -0.39 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.75 2k1r h PRO 55 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2k1r h PRO 55 CO 0.64 0.00 0.43 -0.22 -0.21 0.00 0.00 178.00 178.63 2k1r h LYS 56 N 0.00 0.81 -0.86 1.05 3.64 -1.99 -1.13 116.57 118.09 2k1r h LYS 56 Ca 0.27 -0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.79 2k1r h LYS 56 Cb 1.07 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.60 2k1r h LYS 56 CO -0.00 0.54 0.39 1.15 -2.27 0.00 0.00 179.45 179.26 2k1r h THR 57 N 0.83 0.57 -0.20 1.00 2.02 -1.38 -0.67 112.91 115.08 2k1r h THR 57 Ca 0.27 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 2k1r h THR 57 Cb 0.02 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2k1r h THR 57 CO -0.11 0.09 -0.39 -0.07 0.37 0.00 0.00 175.52 175.41 2k1r h LEU 58 N 0.47 0.68 -0.66 2.58 -0.00 -1.33 -3.03 115.31 114.04 2k1r h LEU 58 Ca 0.51 -0.55 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 2k1r h LEU 58 Cb 0.88 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.31 2k1r h LEU 58 CO -0.46 1.11 0.29 1.56 -0.00 0.00 0.00 178.44 180.93 2k1r h GLN 59 N 0.29 0.96 0.00 1.13 1.08 -0.54 -3.13 115.11 114.90 2k1r h GLN 59 Ca 0.01 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 2k1r h GLN 59 Cb 0.99 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2k1r h GLN 59 CO 0.09 0.79 -0.35 0.93 -0.95 0.00 0.00 178.83 179.34 2k1r h GLU 60 N 0.92 0.00 -0.51 1.46 5.08 -1.18 -3.03 114.58 117.32 2k1r h GLU 60 Ca 0.22 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2k1r h GLU 60 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2k1r h GLU 60 CO -0.02 0.35 0.34 0.00 -1.00 0.00 0.00 179.01 178.68 2k1r h ALA 61 N 1.65 1.77 0.00 3.43 0.00 -1.46 -2.79 119.26 121.86 2k1r h ALA 61 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k1r h ALA 61 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k1r h ALA 61 CO 0.05 0.17 -0.24 0.82 0.00 0.00 0.00 179.25 180.04 2k1r h ILE 62 N 0.57 0.65 0.00 0.00 1.08 -1.66 -3.33 117.51 114.81 2k1r h ILE 62 Ca 0.21 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 2k1r h ILE 62 Cb 0.13 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2k1r h ILE 62 CO -0.05 0.24 0.00 -0.67 -0.69 0.00 0.00 178.15 176.97 2k1r n ASP 63 N -3.49 0.68 -0.09 1.72 2.03 -1.05 -2.76 116.55 113.59 2k1r n ASP 63 Ca -0.00 0.66 -0.11 0.00 0.52 0.00 0.00 54.79 55.86 2k1r n ASP 63 Cb 0.41 -0.81 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 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 0.44 0.00 1.67 3.58 -1.78 -3.44 116.42 116.89 2k1r h ASP 64 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k1r h ASP 64 Cb 0.38 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k1r h ASP 64 CO 0.00 0.58 0.00 0.23 -2.88 0.00 0.00 179.24 177.17 2k1r n MET 65 N -4.66 1.09 -3.00 0.28 2.81 -1.11 -5.03 117.12 107.49 2k1r n MET 65 Ca -0.03 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.60 2k1r n MET 65 Cb 0.20 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.67 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 3.75 5.43 2.77 3.03 0.00 -1.26 -5.07 105.19 113.84 2k1r n GLY 66 Ca 0.00 -2.73 -0.24 0.00 0.00 0.00 0.00 46.02 43.05 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 -0.11 0.78 -4.07 1.61 3.72 -1.26 -4.98 117.46 113.15 2k1r n PHE 67 Ca 0.31 -1.95 -0.13 0.00 -0.05 0.00 0.00 57.45 55.63 2k1r n PHE 67 Cb 0.41 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.12 0.89 -0.09 4.37 1.01 -1.26 -4.89 116.67 113.57 2k1r s ASP 68 Ca 0.03 -0.58 -0.22 0.00 0.71 0.00 0.00 52.55 52.49 2k1r s ASP 68 Cb 0.00 0.04 0.05 0.00 1.01 0.00 0.00 42.92 44.02 2k1r s ASP 68 CO 0.02 -0.22 0.52 0.00 0.21 0.00 0.00 175.17 175.71 2k1r s ALA 69 N -1.50 -1.33 -0.09 5.23 0.00 -1.26 -1.01 121.76 121.80 2k1r s ALA 69 Ca -0.09 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 2k1r s ALA 69 Cb -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2k1r s ALA 69 CO 0.00 -0.30 0.24 0.08 0.00 0.00 0.00 175.76 175.78 2k1r s VAL 70 N -0.73 -0.02 0.24 0.00 1.01 0.42 -4.92 120.40 116.40 2k1r s VAL 70 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2k1r s VAL 70 Cb -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.91 2k1r s VAL 70 CO 0.05 0.03 1.13 -0.63 0.00 0.00 0.00 175.10 175.68 2k1r s ILE 71 N 0.70 3.54 0.00 2.22 1.01 -1.26 -0.52 121.20 126.89 2k1r s ILE 71 Ca -0.05 1.45 0.11 0.00 0.00 0.00 0.00 60.65 62.17 2k1r s ILE 71 Cb -0.06 -3.92 0.19 0.00 0.01 0.00 0.00 42.46 38.67 2k1r s ILE 71 CO -0.04 0.31 1.05 1.57 0.00 0.00 0.00 174.94 177.82 2k1r n HIS 72 N 1.65 0.00 0.29 3.97 -0.00 0.43 -4.85 115.22 116.72 2k1r n HIS 72 Ca 0.01 -0.44 0.02 0.00 0.46 0.00 0.00 57.72 57.77 2k1r n HIS 72 Cb 0.45 0.17 0.14 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