#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1r s GLY 2 N 0.00 1.86 0.34 -5.12 0.00 -1.26 -5.07 107.32 98.07 2k1r s GLY 2 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 44.72 43.27 2k1r s GLY 2 CO 0.00 0.63 1.33 -1.34 0.00 0.00 0.00 173.10 173.72 2k1r s VAL 3 N 1.68 2.61 -0.09 1.40 -7.23 -1.26 -4.44 120.40 113.07 2k1r s VAL 3 Ca 0.06 0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2k1r s VAL 3 Cb -0.16 -3.39 0.03 0.00 0.56 0.00 0.00 36.38 33.42 2k1r s VAL 3 CO 0.08 0.14 -0.05 0.21 -0.31 0.00 0.00 175.10 175.17 2k1r s ASN 4 N -0.46 1.89 -0.20 4.85 3.84 -1.14 -5.03 114.94 118.69 2k1r s ASN 4 Ca 0.50 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 53.33 2k1r s ASN 4 Cb -0.41 -0.67 -0.00 0.00 -0.55 0.00 0.00 41.25 39.62 2k1r s ASN 4 CO 0.54 -0.14 -0.08 -0.55 -2.79 0.00 0.00 177.10 174.08 2k1r s SER 5 N 1.74 4.07 0.02 -4.21 0.15 -1.26 -1.63 113.70 112.59 2k1r s SER 5 Ca 0.04 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.30 2k1r s SER 5 Cb -0.13 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2k1r s SER 5 CO -0.06 0.00 -0.13 -0.69 1.20 0.00 0.00 173.24 173.56 2k1r s VAL 6 N 1.33 1.00 -0.08 4.45 1.01 -0.29 -4.97 120.40 122.84 2k1r s VAL 6 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k1r s VAL 6 Cb -0.14 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2k1r s VAL 6 CO -0.04 0.07 -0.07 -0.89 0.00 0.00 0.00 175.10 174.17 2k1r s THR 7 N -0.68 3.69 -0.10 3.92 2.01 -1.26 -1.15 115.64 122.08 2k1r s THR 7 Ca 0.02 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2k1r s THR 7 Cb -0.07 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.93 2k1r s THR 7 CO 0.01 0.58 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.76 2k1r s ILE 8 N -0.57 1.31 -1.15 1.82 1.01 0.37 -1.61 121.20 122.37 2k1r s ILE 8 Ca 0.09 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 2k1r s ILE 8 Cb -0.12 -1.22 -0.14 0.00 0.01 0.00 0.00 42.46 40.99 2k1r s ILE 8 CO 0.02 0.40 2.00 -1.20 0.00 0.00 0.00 174.94 176.16 2k1r n SER 9 N 4.31 2.48 -4.08 3.58 7.64 0.69 -0.61 113.62 127.62 2k1r n SER 9 Ca -0.18 -2.63 -0.39 0.00 1.01 0.00 0.00 58.87 56.68 2k1r n SER 9 Cb 0.51 -1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 2k1r n SER 9 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k1r n VAL 10 N 8.26 2.66 0.30 0.44 0.31 -1.08 -1.19 118.33 128.01 2k1r n VAL 10 Ca 0.44 -2.54 0.16 0.00 -0.01 0.00 0.00 64.34 62.39 2k1r n VAL 10 Cb 0.47 -2.36 0.74 0.00 -0.91 0.00 0.00 33.84 31.78 2k1r n VAL 10 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k1r h GLU 11 N 7.83 0.00 0.00 5.55 5.08 -1.39 -2.66 114.58 128.98 2k1r h GLU 11 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2k1r h GLU 11 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2k1r h GLU 11 CO 1.66 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 180.08 2k1r n GLY 12 N -0.57 -1.36 3.34 -3.84 0.00 -0.62 -4.79 105.19 97.36 2k1r n GLY 12 Ca -0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.06 3.07 0.00 1.61 -2.45 -1.00 -4.79 119.30 112.68 2k1r s MET 13 Ca 0.10 -0.87 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 2k1r s MET 13 Cb 0.14 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.86 2k1r s MET 13 CO 0.44 -0.44 0.51 0.25 1.05 0.00 0.00 175.02 176.83 2k1r n THR 14 N 4.86 0.11 -4.09 10.11 -2.24 -1.26 -4.54 114.28 117.22 2k1r n THR 14 Ca -0.15 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 2k1r n THR 14 Cb 0.48 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 2k1r n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1r n ASN 16 N -0.05 0.23 -0.02 0.00 4.13 -1.26 -3.02 115.26 115.28 2k1r n ASN 16 Ca -0.09 0.53 0.04 0.00 1.68 0.00 0.00 54.58 56.74 2k1r n ASN 16 Cb 0.63 -0.59 -0.11 0.00 -1.54 0.00 0.00 39.78 38.17 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2k1r n SER 17 N -1.72 1.64 -0.36 6.41 3.41 -1.26 -4.45 113.62 117.28 2k1r n SER 17 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2k1r n SER 17 Cb 0.34 1.50 0.14 0.00 -0.26 0.00 0.00 64.21 65.93 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 1.22 0.88 -0.13 0.00 -1.51 -1.77 -1.24 116.25 113.71 2k1r h VAL 19 Ca 0.39 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.76 2k1r h VAL 19 Cb 0.01 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2k1r h VAL 19 CO -0.13 0.00 -0.31 -0.25 -1.23 0.00 0.00 177.57 175.65 2k1r h TRP 20 N 0.00 0.57 -0.89 5.19 7.01 -1.55 -3.21 115.95 123.07 2k1r h TRP 20 Ca 0.05 -0.22 0.05 0.00 2.11 0.00 0.00 58.89 60.89 2k1r h TRP 20 Cb 0.21 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 2k1r h TRP 20 CO 0.00 0.93 0.56 1.15 -2.79 0.00 0.00 178.44 178.30 2k1r h THR 21 N 0.04 1.08 0.35 2.65 2.02 -0.73 -1.08 112.91 117.25 2k1r h THR 21 Ca -0.00 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2k1r h THR 21 Cb 0.92 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2k1r h THR 21 CO 0.07 0.19 -0.41 0.40 0.37 0.00 0.00 175.52 176.14 2k1r h ILE 22 N 1.05 0.18 -0.83 3.11 1.08 -1.37 -0.83 117.51 119.89 2k1r h ILE 22 Ca 0.38 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.94 2k1r h ILE 22 Cb 0.12 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 33.99 2k1r h ILE 22 CO -0.16 0.00 0.54 -0.08 -0.69 0.00 0.00 178.15 177.76 2k1r h GLU 23 N -0.80 0.78 -0.24 2.37 4.81 -1.45 0.10 114.58 120.15 2k1r h GLU 23 Ca -0.03 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 2k1r h GLU 23 Cb 0.73 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2k1r h GLU 23 CO -0.10 0.52 -0.55 0.37 -0.73 0.00 0.00 179.01 178.53 2k1r h GLN 24 N 0.81 0.73 -0.07 1.92 -0.00 -1.03 -2.70 115.11 114.76 2k1r h GLN 24 Ca 0.38 -0.46 -0.19 0.00 -0.00 0.00 0.00 58.65 58.37 2k1r h GLN 24 Cb 0.40 0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.95 2k1r h GLN 24 CO -0.15 1.08 -0.72 1.96 0.00 0.00 0.00 178.83 181.00 2k1r h GLN 25 N 0.56 0.60 -0.23 1.69 1.08 -0.18 -3.37 115.11 115.27 2k1r h GLN 25 Ca 0.01 -0.56 -0.09 0.00 -1.45 0.00 0.00 58.65 56.56 2k1r h GLN 25 Cb 1.13 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2k1r h GLN 25 CO 0.11 1.18 -0.20 0.82 -0.95 0.00 0.00 178.83 179.79 2k1r h ILE 26 N 0.23 1.32 0.00 2.54 5.03 -0.92 -3.12 117.51 122.59 2k1r h ILE 26 Ca -0.07 -1.35 0.00 0.00 -0.12 0.00 0.00 64.86 63.32 2k1r h ILE 26 Cb 1.38 1.69 0.00 0.00 -3.03 0.00 0.00 36.82 36.86 2k1r h ILE 26 CO 0.15 0.42 0.08 0.61 -0.68 0.00 0.00 178.15 178.72 2k1r n GLY 27 N 0.14 -0.58 0.17 5.37 0.00 -1.02 -0.47 105.19 108.80 2k1r n GLY 27 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2k1r n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1r h LYS 28 N 0.00 0.00 -5.10 1.61 1.57 -1.71 -3.42 116.57 109.52 2k1r h LYS 28 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 2k1r h LYS 28 Cb 0.15 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.29 2k1r h LYS 28 CO 0.00 0.20 0.69 0.08 -0.57 0.00 0.00 179.45 179.85 2k1r s VAL 29 N -3.12 4.64 0.21 0.50 1.01 0.39 -4.93 120.40 119.09 2k1r s VAL 29 Ca 0.04 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 60.87 2k1r s VAL 29 Cb 0.07 -4.73 0.24 0.00 0.00 0.00 0.00 36.38 31.96 2k1r s VAL 29 CO 0.72 -1.46 0.97 -3.20 0.00 0.00 0.00 175.10 172.13 2k1r n ASN 30 N 6.81 0.04 0.18 3.32 5.15 -1.26 -1.44 115.26 128.05 2k1r n ASN 30 Ca 0.14 1.04 0.14 0.00 -0.60 0.00 0.00 54.58 55.29 2k1r n ASN 30 Cb 0.48 -0.43 0.60 0.00 -0.53 0.00 0.00 39.78 39.90 2k1r n ASN 30 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k1r h GLY 31 N 0.00 0.00 -3.72 8.20 0.00 -1.90 -3.45 103.07 102.21 2k1r h GLY 31 Ca 0.43 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.24 2k1r h GLY 31 CO -0.54 0.00 0.63 -1.34 0.00 0.00 0.00 176.54 175.29 2k1r s VAL 32 N -3.50 2.70 -0.08 4.60 -7.23 -0.52 -0.51 120.40 115.85 2k1r s VAL 32 Ca 0.02 0.67 0.01 0.00 -1.81 0.00 0.00 61.98 60.87 2k1r s VAL 32 Cb 0.09 -3.42 -0.06 0.00 0.56 0.00 0.00 36.38 33.55 2k1r s VAL 32 CO 0.38 0.14 -0.07 1.57 -0.31 0.00 0.00 175.10 176.81 2k1r n HIS 33 N 0.57 0.00 -3.65 2.82 -0.00 0.63 -4.87 115.22 110.73 2k1r n HIS 33 Ca 0.01 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.10 2k1r n HIS 33 Cb 0.42 -0.33 -0.10 0.00 -0.12 0.00 0.00 29.99 29.87 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 -2.17 -0.77 -0.08 1.57 2.46 -0.83 -4.99 115.29 110.48 2k1r s HIS 34 Ca -0.11 1.46 -0.12 0.00 0.47 0.00 0.00 55.06 56.76 2k1r s HIS 34 Cb 0.03 0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 2k1r s HIS 34 CO 0.20 -0.48 0.29 -1.50 -2.47 0.00 0.00 174.74 170.78 2k1r s ILE 35 N 2.60 5.25 0.03 0.89 -1.16 -1.26 -1.28 121.20 126.26 2k1r s ILE 35 Ca -0.01 0.57 0.03 0.00 -0.51 0.00 0.00 60.65 60.72 2k1r s ILE 35 Cb -0.12 -3.59 -0.02 0.00 0.61 0.00 0.00 42.46 39.34 2k1r s ILE 35 CO -0.12 0.54 -0.09 -0.75 -2.81 0.00 0.00 174.94 171.71 2k1r s LYS 36 N -0.66 0.60 -0.06 3.50 2.20 -0.12 -5.02 119.74 120.18 2k1r s LYS 36 Ca 0.19 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 2k1r s LYS 36 Cb -0.14 -0.50 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 2k1r s LYS 36 CO 0.08 0.12 0.16 0.14 -0.36 0.00 0.00 175.35 175.48 2k1r s VAL 37 N -0.86 -0.01 -0.31 4.02 -7.23 -1.26 -0.89 120.40 113.85 2k1r s VAL 37 Ca -0.03 0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2k1r s VAL 37 Cb -0.07 -0.24 0.06 0.00 0.56 0.00 0.00 36.38 36.69 2k1r s VAL 37 CO 0.00 0.02 0.02 -0.44 -0.31 0.00 0.00 175.10 174.39 2k1r s SER 38 N 0.41 4.89 0.38 4.85 0.01 0.02 -5.01 113.70 119.25 2k1r s SER 38 Ca -0.03 -1.44 0.25 0.00 1.31 0.00 0.00 55.95 56.04 2k1r s SER 38 Cb -0.04 -1.71 0.64 0.00 0.21 0.00 0.00 66.02 65.13 2k1r s SER 38 CO -0.02 -0.30 1.71 0.17 0.41 0.00 0.00 173.24 175.22 2k1r h LEU 39 N 7.96 0.00 0.00 2.44 8.10 -1.87 0.00 115.31 131.94 2k1r h LEU 39 Ca -0.19 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.72 2k1r h LEU 39 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.26 2k1r h LEU 39 CO 0.55 0.00 -1.35 -0.62 -4.11 0.00 0.00 178.44 172.90 2k1r n GLU 40 N -2.80 0.62 0.04 0.17 1.02 -1.26 -4.22 120.64 114.21 2k1r n GLU 40 Ca 0.04 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 2k1r n GLU 40 Cb 0.45 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 2k1r n GLU 40 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k1r n GLU 41 N -2.70 0.63 -3.36 3.49 1.02 -1.20 -5.01 120.64 113.51 2k1r n GLU 41 Ca -0.06 -0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 2k1r n GLU 41 Cb 0.69 -1.67 0.08 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.46 -6.38 -4.13 3.49 4.01 -0.04 -5.01 118.16 107.63 2k1r n LYS 42 Ca -0.02 0.77 -0.09 0.00 -0.51 0.00 0.00 58.31 58.46 2k1r n LYS 42 Cb 0.57 -5.57 -0.10 0.00 -0.51 0.00 0.00 35.03 29.42 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 -3.97 0.38 -0.07 4.39 2.20 -1.02 -2.65 114.94 114.20 2k1r s ASN 43 Ca 0.15 -1.14 0.01 0.00 -0.94 0.00 0.00 52.86 50.94 2k1r s ASN 43 Cb -0.07 0.26 0.02 0.00 -2.00 0.00 0.00 41.25 39.46 2k1r s ASN 43 CO 0.66 -0.68 -0.09 0.00 -2.94 0.00 0.00 177.10 174.05 2k1r s ALA 44 N -4.00 1.07 -0.11 3.54 0.00 0.22 -0.80 121.76 121.68 2k1r s ALA 44 Ca 0.19 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2k1r s ALA 44 Cb 0.08 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2k1r s ALA 44 CO -0.02 -0.02 -0.18 0.99 0.00 0.00 0.00 175.76 176.53 2k1r s THR 45 N 0.93 1.67 -0.01 0.00 2.01 -0.07 -0.48 115.64 119.69 2k1r s THR 45 Ca -0.10 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 2k1r s THR 45 Cb -0.15 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.87 2k1r s THR 45 CO 0.01 0.47 0.02 -0.51 -0.69 0.00 0.00 174.62 173.92 2k1r s ILE 46 N 0.79 0.01 -0.16 1.82 2.07 -0.30 -0.95 121.20 124.49 2k1r s ILE 46 Ca -0.10 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 58.95 2k1r s ILE 46 Cb -0.16 -0.07 -0.05 0.00 0.13 0.00 0.00 42.46 42.32 2k1r s ILE 46 CO 0.01 -0.04 0.22 -0.63 -1.91 0.00 0.00 174.94 172.59 2k1r s ILE 47 N -0.12 5.36 0.05 2.00 1.01 -0.40 -1.14 121.20 127.96 2k1r s ILE 47 Ca -0.01 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2k1r s ILE 47 Cb -0.01 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2k1r s ILE 47 CO -0.00 0.46 -0.01 -0.72 0.00 0.00 0.00 174.94 174.66 2k1r s TYR 48 N 0.08 0.46 -0.33 3.97 1.13 -0.64 -0.27 117.35 121.76 2k1r s TYR 48 Ca 0.14 -0.96 -0.27 0.00 -1.41 0.00 0.00 57.07 54.56 2k1r s TYR 48 Cb -0.12 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 2k1r s TYR 48 CO 0.02 -0.37 0.98 0.34 -2.51 0.00 0.00 175.55 174.02 2k1r s ASP 49 N -2.72 6.82 0.14 -0.18 -1.08 0.33 -2.89 116.67 117.09 2k1r s ASP 49 Ca 0.04 0.87 0.17 0.00 -0.52 0.00 0.00 52.55 53.11 2k1r s ASP 49 Cb 0.05 -2.50 0.74 0.00 -1.46 0.00 0.00 42.92 39.76 2k1r s ASP 49 CO -0.09 -0.82 1.52 -0.81 0.52 0.00 0.00 175.17 175.49 2k1r n PRO 50 N 6.70 0.09 -0.06 4.34 -0.04 -1.26 -0.96 135.00 143.81 2k1r n PRO 50 Ca 0.09 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2k1r n PRO 50 Cb 0.47 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.78 0.00 0.54 1.57 -1.93 -3.37 116.57 114.16 2k1r h LYS 51 Ca 0.00 -0.46 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 2k1r h LYS 51 Cb 0.22 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2k1r h LYS 51 CO 0.00 1.09 -2.13 1.28 -0.57 0.00 0.00 179.45 179.12 2k1r n LEU 52 N -4.01 0.00 -4.40 2.94 7.99 -0.73 -5.04 117.00 113.75 2k1r n LEU 52 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.77 2k1r n LEU 52 Cb 0.59 0.21 -0.10 0.00 -0.11 0.00 0.00 43.42 44.00 2k1r n LEU 52 CO 0.49 0.21 -0.30 -1.10 -1.51 0.00 0.00 177.39 175.17 2k1r s GLN 53 N -3.05 1.51 0.07 3.23 -1.52 -0.13 -4.59 119.66 115.19 2k1r s GLN 53 Ca -0.09 -1.81 -0.19 0.00 -1.95 0.00 0.00 55.36 51.32 2k1r s GLN 53 Cb 0.10 -0.77 0.04 0.00 -0.22 0.00 0.00 33.01 32.16 2k1r s GLN 53 CO 0.85 -0.14 0.46 0.95 -0.25 0.00 0.00 175.29 177.16 2k1r s THR 54 N -3.34 0.05 0.39 -0.19 -4.23 -1.26 -4.41 115.64 102.65 2k1r s THR 54 Ca 0.33 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2k1r s THR 54 Cb 0.07 -1.01 0.31 0.00 1.34 0.00 0.00 72.50 73.20 2k1r s THR 54 CO 0.13 -0.21 1.97 -0.65 -0.54 0.00 0.00 174.62 175.31 2k1r h PRO 55 N 2.72 0.58 -0.54 3.99 0.11 -2.00 -1.13 132.00 135.72 2k1r h PRO 55 Ca -0.32 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.77 2k1r h PRO 55 Cb 1.23 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2k1r h PRO 55 CO 0.43 0.38 0.34 -0.22 -0.21 0.00 0.00 178.00 178.72 2k1r h LYS 56 N 0.59 0.67 0.00 1.05 1.63 -2.00 -2.10 116.57 116.41 2k1r h LYS 56 Ca 0.29 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.99 2k1r h LYS 56 Cb 0.38 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2k1r h LYS 56 CO -0.09 0.44 -0.30 1.15 -3.45 0.00 0.00 179.45 177.20 2k1r h THR 57 N 0.69 1.13 0.03 1.00 2.02 -1.64 -1.47 112.91 114.67 2k1r h THR 57 Ca 0.21 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 2k1r h THR 57 Cb -0.03 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2k1r h THR 57 CO -0.07 0.29 -0.02 -0.07 0.37 0.00 0.00 175.52 176.03 2k1r h LEU 58 N 0.00 -0.04 -0.97 2.58 3.38 -1.02 -2.65 115.31 116.59 2k1r h LEU 58 Ca -0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.81 2k1r h LEU 58 Cb 0.56 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 2k1r h LEU 58 CO 0.04 0.21 0.62 1.56 0.09 0.00 0.00 178.44 180.95 2k1r h GLN 59 N -0.28 1.08 0.00 1.13 1.08 -1.01 -2.38 115.11 114.73 2k1r h GLN 59 Ca -0.00 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 2k1r h GLN 59 Cb 0.26 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2k1r h GLN 59 CO 0.01 0.71 -0.29 1.49 -0.95 0.00 0.00 178.83 179.80 2k1r h GLU 60 N 1.11 0.00 0.00 1.46 4.81 -1.25 -2.64 114.58 118.07 2k1r h GLU 60 Ca 0.42 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 2k1r h GLU 60 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2k1r h GLU 60 CO -0.18 0.29 -0.14 0.00 -0.73 0.00 0.00 179.01 178.25 2k1r h ALA 61 N 1.71 1.05 0.00 2.92 0.00 -1.05 -2.76 119.26 121.13 2k1r h ALA 61 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2k1r h ALA 61 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k1r h ALA 61 CO 0.04 0.18 -0.17 0.82 0.00 0.00 0.00 179.25 180.12 2k1r h ILE 62 N 0.00 0.43 0.00 0.00 1.08 -1.49 -3.20 117.51 114.33 2k1r h ILE 62 Ca -0.00 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2k1r h ILE 62 Cb 0.61 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2k1r h ILE 62 CO 0.02 0.17 0.00 -0.67 -0.69 0.00 0.00 178.15 176.97 2k1r n ASP 63 N -3.33 0.00 -0.10 1.72 2.03 -1.04 -3.89 116.55 111.93 2k1r n ASP 63 Ca 0.00 0.39 -0.14 0.00 0.52 0.00 0.00 54.79 55.57 2k1r n ASP 63 Cb 0.40 -0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.87 0.00 1.67 1.82 -1.73 -3.44 116.42 115.60 2k1r h ASP 64 Ca 0.00 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 2k1r h ASP 64 Cb 0.27 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2k1r h ASP 64 CO 0.00 1.18 0.00 1.15 -1.61 0.00 0.00 179.24 179.96 2k1r n MET 65 N -4.16 0.00 -2.84 0.28 0.00 -1.25 -5.10 117.12 104.05 2k1r n MET 65 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.57 2k1r n MET 65 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.76 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 0.23 2.90 3.17 0.00 -1.26 -5.16 105.19 110.07 2k1r n GLY 66 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.16 0.11 -4.25 1.61 3.72 -1.26 -5.04 117.46 114.52 2k1r n PHE 67 Ca 0.15 -2.27 -0.19 0.00 -0.05 0.00 0.00 57.45 55.09 2k1r n PHE 67 Cb 0.59 -0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.00 2k1r n PHE 67 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k1r s ASP 68 N -3.17 1.57 -0.09 4.37 2.15 -1.26 -4.91 116.67 115.33 2k1r s ASP 68 Ca 0.18 -0.52 -0.19 0.00 0.43 0.00 0.00 52.55 52.45 2k1r s ASP 68 Cb 0.01 -0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.60 2k1r s ASP 68 CO 0.13 -0.03 0.46 0.00 -0.17 0.00 0.00 175.17 175.56 2k1r s ALA 69 N -1.05 -1.16 -0.01 3.66 0.00 -1.26 -1.58 121.76 120.36 2k1r s ALA 69 Ca -0.01 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2k1r s ALA 69 Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2k1r s ALA 69 CO 0.02 -0.27 -0.00 0.08 0.00 0.00 0.00 175.76 175.58 2k1r s VAL 70 N -0.67 0.07 0.02 0.00 1.01 -0.34 -4.96 120.40 115.53 2k1r s VAL 70 Ca -0.08 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2k1r s VAL 70 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2k1r s VAL 70 CO 0.04 0.05 0.94 -0.63 0.00 0.00 0.00 175.10 175.50 2k1r s ILE 71 N 0.32 4.79 -0.44 2.22 1.01 -1.26 -0.23 121.20 127.61 2k1r s ILE 71 Ca -0.03 1.98 0.07 0.00 0.00 0.00 0.00 60.65 62.67 2k1r s ILE 71 Cb -0.05 -4.28 0.24 0.00 0.01 0.00 0.00 42.46 38.38 2k1r s ILE 71 CO -0.01 0.22 0.67 1.57 0.00 0.00 0.00 174.94 177.39 2k1r n HIS 72 N 3.56 -1.91 0.02 3.97 -0.00 -0.64 -4.87 115.22 115.35 2k1r n HIS 72 Ca 0.04 -2.63 0.00 0.00 0.46 0.00 0.00 57.72 55.59 2k1r n HIS 72 Cb 0.51 0.63 0.00 0.00 -0.12 0.00 0.00 29.99 31.01 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09