#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 1.21 2.87 -5.12 0.00 -1.26 -5.12 105.19 97.77 2k1r n GLY 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.01 -0.04 -0.18 1.61 -7.23 -1.26 -4.51 120.40 107.77 2k1r s VAL 3 Ca 0.00 0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2k1r s VAL 3 Cb 0.00 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.85 2k1r s VAL 3 CO 0.00 0.06 -0.05 0.20 -0.31 0.00 0.00 175.10 175.00 2k1r s ASN 4 N 0.82 3.08 -0.03 4.85 -0.87 -0.75 -5.00 114.94 117.04 2k1r s ASN 4 Ca -0.07 -0.79 -0.27 0.00 -1.57 0.00 0.00 52.86 50.16 2k1r s ASN 4 Cb -0.09 -0.97 -0.03 0.00 -0.02 0.00 0.00 41.25 40.14 2k1r s ASN 4 CO -0.03 -0.20 0.87 -0.44 -2.57 0.00 0.00 177.10 174.73 2k1r s SER 5 N 1.59 7.21 0.03 -1.22 0.01 -1.26 -1.92 113.70 118.13 2k1r s SER 5 Ca -0.01 1.46 0.02 0.00 1.31 0.00 0.00 55.95 58.74 2k1r s SER 5 Cb -0.16 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2k1r s SER 5 CO -0.07 -0.22 -0.07 0.54 0.41 0.00 0.00 173.24 173.83 2k1r s VAL 6 N 0.99 0.53 -0.09 3.43 0.11 0.13 -5.00 120.40 120.49 2k1r s VAL 6 Ca 0.46 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 2k1r s VAL 6 Cb -0.20 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2k1r s VAL 6 CO 0.23 -0.19 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.84 2k1r s THR 7 N -0.92 3.52 -0.17 5.04 2.01 -1.25 -1.38 115.64 122.49 2k1r s THR 7 Ca -0.05 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2k1r s THR 7 Cb -0.07 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2k1r s THR 7 CO 0.00 0.57 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 2k1r s ILE 8 N -0.41 1.59 -1.13 1.82 1.01 0.25 -0.72 121.20 123.60 2k1r s ILE 8 Ca 0.06 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2k1r s ILE 8 Cb -0.12 -1.56 -0.14 0.00 0.01 0.00 0.00 42.46 40.65 2k1r s ILE 8 CO 0.02 0.35 2.01 -0.44 0.00 0.00 0.00 174.94 176.88 2k1r s SER 9 N 1.46 4.42 -0.96 3.58 0.01 0.80 -0.37 113.70 122.65 2k1r s SER 9 Ca 0.03 -1.33 -0.24 0.00 1.31 0.00 0.00 55.95 55.72 2k1r s SER 9 Cb -0.14 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.50 2k1r s SER 9 CO -0.10 -3.70 1.73 -0.69 0.41 0.00 0.00 173.24 170.89 2k1r s VAL 10 N 13.27 3.66 0.28 3.43 1.01 -1.23 -1.43 120.40 139.39 2k1r s VAL 10 Ca 0.74 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2k1r s VAL 10 Cb -0.03 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.89 2k1r s VAL 10 CO 0.14 -1.39 1.66 -0.33 0.00 0.00 0.00 175.10 175.19 2k1r h GLU 11 N 10.60 0.27 0.00 2.72 5.08 -1.40 -3.26 114.58 128.59 2k1r h GLU 11 Ca 0.15 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k1r h GLU 11 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2k1r h GLU 11 CO 1.31 0.67 0.00 0.41 -1.00 0.00 0.00 179.01 180.40 2k1r n GLY 12 N -0.08 -1.09 3.75 -3.84 0.00 -1.24 -4.88 105.19 97.80 2k1r n GLY 12 Ca -0.02 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2k1r n GLY 12 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k1r s MET 13 N -2.24 4.63 -0.32 1.61 -1.94 -1.25 -4.91 119.30 114.88 2k1r s MET 13 Ca 0.39 1.72 0.02 0.00 -1.71 0.00 0.00 55.69 56.11 2k1r s MET 13 Cb 0.21 -3.25 0.10 0.00 2.01 0.00 0.00 34.83 33.90 2k1r s MET 13 CO 0.40 0.16 1.10 -2.37 -0.01 0.00 0.00 175.02 174.30 2k1r n THR 14 N 1.91 0.00 -4.10 2.05 5.66 -1.26 -4.68 114.28 113.86 2k1r n THR 14 Ca 0.01 -0.73 -0.05 0.00 -3.05 0.00 0.00 64.05 60.23 2k1r n THR 14 Cb 0.46 0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 69.86 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 -1.85 0.00 0.00 0.00 5.15 -1.26 -4.98 115.26 112.32 2k1r n ASN 16 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2k1r n ASN 16 Cb 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 -0.45 0.00 -0.18 1.20 3.41 -1.26 -4.76 113.62 111.59 2k1r n SER 17 Ca 0.00 -0.71 -0.04 0.00 -0.26 0.00 0.00 58.87 57.86 2k1r n SER 17 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.11 0.33 -0.08 0.00 -1.51 -1.94 -1.33 116.25 111.62 2k1r h VAL 19 Ca 0.24 -0.02 -0.07 0.00 -1.23 0.00 0.00 66.70 65.63 2k1r h VAL 19 Cb 0.49 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 2k1r h VAL 19 CO -0.61 0.01 -0.27 -0.25 -1.23 0.00 0.00 177.57 175.22 2k1r h TRP 20 N 0.05 0.15 -0.02 5.19 7.01 -1.70 -2.83 115.95 123.80 2k1r h TRP 20 Ca 0.36 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.37 2k1r h TRP 20 Cb 0.60 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 2k1r h TRP 20 CO -0.49 0.40 -0.20 1.15 -2.79 0.00 0.00 178.44 176.51 2k1r h THR 21 N 0.12 0.53 -0.55 2.65 2.02 -0.52 -1.91 112.91 115.25 2k1r h THR 21 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2k1r h THR 21 Cb 0.55 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2k1r h THR 21 CO 0.04 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.62 2k1r h ILE 22 N -0.30 0.98 -0.76 3.11 5.03 -1.38 -0.22 117.51 123.96 2k1r h ILE 22 Ca 0.06 -0.20 0.01 0.00 -0.12 0.00 0.00 64.86 64.62 2k1r h ILE 22 Cb 0.39 0.36 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 2k1r h ILE 22 CO -0.20 0.10 0.50 -0.08 -0.68 0.00 0.00 178.15 177.80 2k1r h GLU 23 N 0.57 0.99 -0.08 2.37 4.81 -1.33 0.37 114.58 122.29 2k1r h GLU 23 Ca 0.24 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2k1r h GLU 23 Cb 0.12 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2k1r h GLU 23 CO -0.15 0.66 -0.16 1.96 -0.73 0.00 0.00 179.01 180.59 2k1r h GLN 24 N 1.02 0.24 -0.25 1.92 1.08 -0.87 -2.66 115.11 115.60 2k1r h GLN 24 Ca 0.28 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2k1r h GLN 24 Cb -0.10 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2k1r h GLN 24 CO -0.06 0.75 0.14 1.96 -0.95 0.00 0.00 178.83 180.67 2k1r h GLN 25 N -0.24 0.35 -0.22 1.46 4.20 -0.58 -2.35 115.11 117.73 2k1r h GLN 25 Ca 0.00 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 2k1r h GLN 25 Cb 0.75 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2k1r h GLN 25 CO 0.04 0.30 -0.49 0.82 -0.67 0.00 0.00 178.83 178.82 2k1r h ILE 26 N 0.30 1.31 0.00 2.54 1.08 -1.09 -2.68 117.51 118.96 2k1r h ILE 26 Ca 0.09 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 2k1r h ILE 26 Cb 0.05 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2k1r h ILE 26 CO -0.01 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 178.60 2k1r n GLY 27 N 0.45 -0.79 0.29 5.37 0.00 -1.00 -1.49 105.19 108.01 2k1r n GLY 27 Ca -0.06 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.07 0.85 0.22 1.61 3.00 -0.89 -4.57 118.16 116.31 2k1r n LYS 28 Ca -0.01 -0.58 -0.15 0.00 -0.00 0.00 0.00 58.31 57.57 2k1r n LYS 28 Cb 0.03 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.49 2k1r n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2k1r h VAL 29 N 1.41 0.60 0.00 3.15 2.07 -1.29 -3.48 116.25 118.71 2k1r h VAL 29 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k1r h VAL 29 Cb 0.58 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k1r h VAL 29 CO 0.00 0.05 0.00 -3.20 0.02 0.00 0.00 177.57 174.44 2k1r n ASN 30 N -5.27 0.00 -0.44 0.57 2.85 -1.26 -4.98 115.26 106.73 2k1r n ASN 30 Ca -0.11 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.42 2k1r n ASN 30 Cb 0.26 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.33 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 0.00 -0.31 3.75 8.20 0.00 -1.26 -5.02 105.19 110.55 2k1r n GLY 31 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.97 2.44 -0.23 1.61 1.01 -1.26 -2.11 120.40 120.88 2k1r s VAL 32 Ca 0.13 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2k1r s VAL 32 Cb 0.09 -3.24 -0.19 0.00 0.00 0.00 0.00 36.38 33.04 2k1r s VAL 32 CO 0.15 0.07 -0.12 1.41 0.00 0.00 0.00 175.10 176.60 2k1r n HIS 33 N 2.00 0.19 -3.75 5.22 8.25 0.28 -4.92 115.22 122.49 2k1r n HIS 33 Ca 0.06 0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 2k1r n HIS 33 Cb 0.39 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.37 2k1r n HIS 33 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k1r s HIS 34 N -2.52 -0.39 -0.04 4.41 3.76 -1.00 -4.98 115.29 114.51 2k1r s HIS 34 Ca -0.32 0.96 0.03 0.00 -0.15 0.00 0.00 55.06 55.58 2k1r s HIS 34 Cb 0.09 0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.91 2k1r s HIS 34 CO 0.64 -0.19 -0.14 -1.50 -0.85 0.00 0.00 174.74 172.70 2k1r s ILE 35 N 0.20 1.16 -0.01 0.60 -1.16 -1.26 -0.50 121.20 120.23 2k1r s ILE 35 Ca -0.00 -0.56 0.02 0.00 -0.51 0.00 0.00 60.65 59.59 2k1r s ILE 35 Cb -0.03 -1.02 0.00 0.00 0.61 0.00 0.00 42.46 42.03 2k1r s ILE 35 CO 0.00 0.35 -0.05 -0.75 -2.81 0.00 0.00 174.94 171.68 2k1r s LYS 36 N 0.16 0.54 -0.03 3.50 2.20 -0.14 -5.01 119.74 120.96 2k1r s LYS 36 Ca -0.05 -0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 2k1r s LYS 36 Cb -0.11 -0.54 0.03 0.00 -1.51 0.00 0.00 37.83 35.71 2k1r s LYS 36 CO 0.02 0.07 0.06 0.14 -0.36 0.00 0.00 175.35 175.28 2k1r s VAL 37 N 0.12 -0.08 -0.33 4.02 -7.23 -1.26 -0.90 120.40 114.74 2k1r s VAL 37 Ca -0.01 0.26 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 2k1r s VAL 37 Cb -0.05 -0.13 0.09 0.00 0.56 0.00 0.00 36.38 36.85 2k1r s VAL 37 CO -0.00 0.11 0.05 -0.44 -0.31 0.00 0.00 175.10 174.50 2k1r s SER 38 N 1.34 4.84 0.41 4.85 0.01 -0.10 -4.98 113.70 120.07 2k1r s SER 38 Ca -0.06 -1.86 0.22 0.00 1.31 0.00 0.00 55.95 55.56 2k1r s SER 38 Cb -0.13 -1.67 0.76 0.00 0.21 0.00 0.00 66.02 65.19 2k1r s SER 38 CO -0.04 -0.36 1.76 0.17 0.41 0.00 0.00 173.24 175.18 2k1r h LEU 39 N 7.80 0.00 0.00 2.44 8.10 -1.90 -0.99 115.31 130.76 2k1r h LEU 39 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 2k1r h LEU 39 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.26 2k1r h LEU 39 CO 0.55 0.27 -0.40 -0.08 -4.11 0.00 0.00 178.44 174.67 2k1r h GLU 40 N 0.00 0.00 0.00 0.17 4.57 -1.94 -3.36 114.58 114.01 2k1r h GLU 40 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k1r h GLU 40 Cb 0.86 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2k1r h GLU 40 CO 0.03 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.25 2k1r n GLU 41 N -2.41 -0.26 -3.82 1.92 1.02 -1.02 -5.04 120.64 111.02 2k1r n GLU 41 Ca 0.04 -0.55 -0.29 0.00 -0.02 0.00 0.00 57.16 56.33 2k1r n GLU 41 Cb 0.47 -0.90 0.03 0.00 -0.02 0.00 0.00 31.44 31.02 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 -0.07 -5.79 -3.89 3.49 4.01 -0.41 -4.95 118.16 110.56 2k1r n LYS 42 Ca 0.00 0.64 -0.09 0.00 -0.51 0.00 0.00 58.31 58.35 2k1r n LYS 42 Cb 0.09 -5.55 -0.04 0.00 -0.51 0.00 0.00 35.03 29.02 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 -3.26 -0.17 -0.04 4.39 2.20 -1.23 -3.48 114.94 113.35 2k1r s ASN 43 Ca 0.64 -0.72 -0.00 0.00 -0.94 0.00 0.00 52.86 51.84 2k1r s ASN 43 Cb -0.31 0.60 0.03 0.00 -2.00 0.00 0.00 41.25 39.56 2k1r s ASN 43 CO 0.79 -1.13 0.01 0.00 -2.94 0.00 0.00 177.10 173.82 2k1r s ALA 44 N -3.95 0.36 -0.19 3.54 0.00 0.51 -0.92 121.76 121.11 2k1r s ALA 44 Ca 0.16 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2k1r s ALA 44 Cb -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2k1r s ALA 44 CO 0.04 -0.20 -0.19 0.99 0.00 0.00 0.00 175.76 176.40 2k1r s THR 45 N 1.35 2.06 -0.02 0.00 2.01 -0.07 -0.59 115.64 120.38 2k1r s THR 45 Ca -0.05 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 2k1r s THR 45 Cb -0.13 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.50 2k1r s THR 45 CO -0.02 0.50 0.06 -0.51 -0.69 0.00 0.00 174.62 173.95 2k1r s ILE 46 N 1.28 -0.00 -0.26 1.82 -1.16 -0.48 -0.97 121.20 121.43 2k1r s ILE 46 Ca 0.04 0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.16 2k1r s ILE 46 Cb -0.14 -0.10 0.03 0.00 0.61 0.00 0.00 42.46 42.86 2k1r s ILE 46 CO -0.12 0.00 -0.03 -0.63 -2.81 0.00 0.00 174.94 171.35 2k1r s ILE 47 N 0.07 3.06 0.12 2.00 1.01 0.34 -0.70 121.20 127.10 2k1r s ILE 47 Ca -0.00 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.70 2k1r s ILE 47 Cb -0.01 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2k1r s ILE 47 CO -0.00 0.15 0.01 -0.72 0.00 0.00 0.00 174.94 174.38 2k1r s TYR 48 N 1.35 2.96 -0.11 3.97 1.13 -0.81 -0.56 117.35 125.28 2k1r s TYR 48 Ca 0.00 -0.06 -0.30 0.00 -1.41 0.00 0.00 57.07 55.31 2k1r s TYR 48 Cb -0.17 -1.49 -0.02 0.00 -1.10 0.00 0.00 41.96 39.18 2k1r s TYR 48 CO -0.03 0.49 1.09 0.34 -2.51 0.00 0.00 175.55 174.92 2k1r s ASP 49 N -2.52 7.15 0.49 -0.18 -1.08 -0.90 -1.80 116.67 117.83 2k1r s ASP 49 Ca 0.26 1.61 0.28 0.00 -0.52 0.00 0.00 52.55 54.18 2k1r s ASP 49 Cb -0.11 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 39.80 2k1r s ASP 49 CO 0.19 -0.54 1.85 1.55 0.52 0.00 0.00 175.17 178.74 2k1r h PRO 50 N 7.32 0.00 -0.10 4.34 0.13 -1.85 -2.98 132.00 138.86 2k1r h PRO 50 Ca -0.30 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 2k1r h PRO 50 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k1r h PRO 50 CO 0.89 0.08 -0.28 0.87 -0.23 0.00 0.00 178.00 179.33 2k1r h LYS 51 N 0.00 0.36 0.00 0.86 1.57 -1.97 -3.33 116.57 114.05 2k1r h LYS 51 Ca -0.00 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 2k1r h LYS 51 Cb 0.70 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2k1r h LYS 51 CO 0.01 0.88 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.38 2k1r h LEU 52 N -0.09 0.00 -7.71 2.94 -0.00 -1.94 -3.49 115.31 105.03 2k1r h LEU 52 Ca -0.01 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 2k1r h LEU 52 Cb 0.90 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.49 2k1r h LEU 52 CO 0.06 0.32 0.53 0.00 -0.00 0.00 0.00 178.44 179.35 2k1r s GLN 53 N -3.16 1.19 0.22 1.13 -2.07 -1.14 -4.94 119.66 110.90 2k1r s GLN 53 Ca 0.04 -0.69 -0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2k1r s GLN 53 Cb 0.07 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2k1r s GLN 53 CO 0.70 -0.55 0.18 0.95 -1.32 0.00 0.00 175.29 175.26 2k1r s THR 54 N -2.96 0.00 0.48 3.63 -4.23 -1.26 -4.34 115.64 106.96 2k1r s THR 54 Ca 0.15 -1.95 0.22 0.00 -1.18 0.00 0.00 61.69 58.93 2k1r s THR 54 Cb -0.01 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.74 2k1r s THR 54 CO 0.03 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.39 2k1r h PRO 55 N 2.52 0.19 -0.25 3.99 0.11 -1.99 -2.02 132.00 134.55 2k1r h PRO 55 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k1r h PRO 55 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k1r h PRO 55 CO 0.49 0.12 0.16 -0.22 -0.21 0.00 0.00 178.00 178.35 2k1r h LYS 56 N 0.19 0.33 -0.93 1.05 1.63 -1.99 -2.11 116.57 114.73 2k1r h LYS 56 Ca 0.36 -0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.31 2k1r h LYS 56 Cb 1.12 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 32.60 2k1r h LYS 56 CO -0.07 0.22 0.60 1.15 -3.45 0.00 0.00 179.45 177.90 2k1r h THR 57 N 0.33 0.74 -0.09 1.00 2.02 -1.76 -1.13 112.91 114.03 2k1r h THR 57 Ca 0.09 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2k1r h THR 57 Cb -0.03 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2k1r h THR 57 CO -0.02 0.11 -0.29 -0.07 0.37 0.00 0.00 175.52 175.62 2k1r h LEU 58 N 0.61 0.41 -0.85 2.58 4.07 -1.39 -3.21 115.31 117.52 2k1r h LEU 58 Ca 0.49 -0.61 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 2k1r h LEU 58 Cb 0.94 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 2k1r h LEU 58 CO -0.24 0.95 0.31 1.56 -1.08 0.00 0.00 178.44 179.94 2k1r h GLN 59 N -0.11 1.15 0.00 1.13 1.08 -0.72 -2.92 115.11 114.73 2k1r h GLN 59 Ca -0.01 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 2k1r h GLN 59 Cb 0.91 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2k1r h GLN 59 CO 0.06 0.93 -0.03 0.93 -0.95 0.00 0.00 178.83 179.77 2k1r h GLU 60 N 1.13 0.00 -0.26 1.46 4.39 -1.30 -1.16 114.58 118.84 2k1r h GLU 60 Ca 0.26 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.79 2k1r h GLU 60 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k1r h GLU 60 CO -0.02 0.03 -0.53 0.00 -1.16 0.00 0.00 179.01 177.33 2k1r h ALA 61 N 1.97 0.58 -0.05 3.43 0.00 -1.51 -2.85 119.26 120.81 2k1r h ALA 61 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2k1r h ALA 61 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k1r h ALA 61 CO 0.00 0.68 -0.49 0.82 0.00 0.00 0.00 179.25 180.26 2k1r h ILE 62 N 0.58 1.35 0.00 0.00 1.08 -1.28 -2.24 117.51 117.00 2k1r h ILE 62 Ca 0.02 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 2k1r h ILE 62 Cb 1.11 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 2k1r h ILE 62 CO 0.11 0.50 0.00 -0.67 -0.69 0.00 0.00 178.15 177.40 2k1r n ASP 63 N -3.95 0.00 -0.07 1.72 2.03 -0.85 -3.46 116.55 111.96 2k1r n ASP 63 Ca -0.02 0.13 -0.09 0.00 0.52 0.00 0.00 54.79 55.33 2k1r n ASP 63 Cb 0.53 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.78 0.00 1.67 3.58 -1.15 -3.45 116.42 117.85 2k1r h ASP 64 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2k1r h ASP 64 Cb 0.22 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k1r h ASP 64 CO 0.00 1.05 0.00 1.15 -2.88 0.00 0.00 179.24 178.56 2k1r n MET 65 N -4.06 0.00 -2.82 0.28 0.00 -1.22 -5.12 117.12 104.17 2k1r n MET 65 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.59 2k1r n MET 65 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.74 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 0.33 3.22 3.17 0.00 -1.25 -5.11 105.19 110.55 2k1r n GLY 66 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.48 0.93 -0.12 1.61 0.40 -1.25 -5.13 117.98 114.90 2k1r s PHE 67 Ca 0.32 -1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 2k1r s PHE 67 Cb 0.18 -0.43 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 2k1r s PHE 67 CO -0.20 -0.63 -0.08 0.34 0.70 0.00 0.00 175.22 175.35 2k1r s ASP 68 N -3.09 4.48 -0.20 1.36 2.15 -1.26 -4.80 116.67 115.30 2k1r s ASP 68 Ca 0.30 -0.16 -0.20 0.00 0.43 0.00 0.00 52.55 52.93 2k1r s ASP 68 Cb 0.06 -1.52 0.05 0.00 -0.30 0.00 0.00 42.92 41.22 2k1r s ASP 68 CO 0.07 0.23 0.55 0.00 -0.17 0.00 0.00 175.17 175.85 2k1r s ALA 69 N -0.01 -1.37 -0.01 3.66 0.00 -1.26 -1.51 121.76 121.25 2k1r s ALA 69 Ca -0.01 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2k1r s ALA 69 Cb -0.14 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.13 2k1r s ALA 69 CO 0.03 -0.27 0.02 0.08 0.00 0.00 0.00 175.76 175.62 2k1r s VAL 70 N 0.23 -0.02 0.35 0.00 1.01 -0.51 -4.95 120.40 116.51 2k1r s VAL 70 Ca -0.00 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 2k1r s VAL 70 Cb -0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 36.38 36.17 2k1r s VAL 70 CO 0.01 0.06 1.20 -0.63 0.00 0.00 0.00 175.10 175.75 2k1r s ILE 71 N 0.70 3.06 0.28 2.22 1.01 -1.26 -0.14 121.20 127.07 2k1r s ILE 71 Ca -0.06 0.99 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 2k1r s ILE 71 Cb -0.09 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2k1r s ILE 71 CO -0.02 0.18 0.33 -1.38 0.00 0.00 0.00 174.94 174.05 2k1r s HIS 72 N -1.26 1.10 -2.87 3.97 -3.43 0.10 -4.84 115.29 108.07 2k1r s HIS 72 Ca 0.51 -1.29 0.25 0.00 -0.80 0.00 0.00 55.06 53.74 2k1r s HIS 72 Cb -0.34 -0.30 0.42 0.00 -1.43 0.00 0.00 32.58 30.92 2k1r s HIS 72 CO 0.44 -0.91 1.39 -1.71 -2.00 0.00 0.00 174.74 171.95