#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 0.12 3.30 -5.12 0.00 -1.26 -5.16 105.19 97.08 2k1r n GLY 2 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 0.42 0.97 -0.05 1.61 -7.23 -1.26 -4.52 120.40 110.35 2k1r s VAL 3 Ca 0.00 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 2k1r s VAL 3 Cb 0.00 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.74 2k1r s VAL 3 CO 0.00 -0.41 0.11 0.21 -0.31 0.00 0.00 175.10 174.70 2k1r s ASN 4 N -3.26 -0.06 -0.04 4.85 3.84 -0.47 -4.82 114.94 114.99 2k1r s ASN 4 Ca 0.26 0.22 -0.07 0.00 0.21 0.00 0.00 52.86 53.48 2k1r s ASN 4 Cb 0.05 0.11 -0.04 0.00 -0.55 0.00 0.00 41.25 40.82 2k1r s ASN 4 CO 0.07 -0.14 0.23 -0.55 -2.79 0.00 0.00 177.10 173.91 2k1r s SER 5 N 1.10 6.47 0.03 -4.21 0.15 -1.26 -1.20 113.70 114.78 2k1r s SER 5 Ca -0.09 0.53 0.02 0.00 0.70 0.00 0.00 55.95 57.12 2k1r s SER 5 Cb -0.11 -2.08 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2k1r s SER 5 CO -0.05 0.31 -0.07 0.54 1.20 0.00 0.00 173.24 175.17 2k1r s VAL 6 N -1.20 0.51 -0.09 4.45 0.11 0.03 -5.00 120.40 119.21 2k1r s VAL 6 Ca 0.23 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2k1r s VAL 6 Cb -0.13 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2k1r s VAL 6 CO 0.12 -0.21 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.58 2k1r s THR 7 N -0.95 2.34 -0.05 5.04 2.01 -1.26 -1.26 115.64 121.51 2k1r s THR 7 Ca -0.06 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 2k1r s THR 7 Cb -0.07 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.56 2k1r s THR 7 CO 0.00 0.56 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.86 2k1r s ILE 8 N 0.13 0.28 -0.23 1.82 1.01 0.68 -0.26 121.20 124.63 2k1r s ILE 8 Ca -0.11 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2k1r s ILE 8 Cb -0.16 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2k1r s ILE 8 CO 0.06 0.20 1.46 -0.44 0.00 0.00 0.00 174.94 176.22 2k1r s SER 9 N 1.37 6.58 -0.90 3.58 0.01 0.56 -0.35 113.70 124.56 2k1r s SER 9 Ca -0.05 1.54 -0.09 0.00 1.31 0.00 0.00 55.95 58.66 2k1r s SER 9 Cb -0.13 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 63.79 2k1r s SER 9 CO -0.02 -1.10 0.83 -0.69 0.41 0.00 0.00 173.24 172.66 2k1r s VAL 10 N 4.60 5.28 0.63 3.43 1.01 0.91 -0.42 120.40 135.84 2k1r s VAL 10 Ca 0.64 -3.04 0.35 0.00 0.00 0.00 0.00 61.98 59.94 2k1r s VAL 10 Cb -0.22 -4.25 0.39 0.00 0.00 0.00 0.00 36.38 32.29 2k1r s VAL 10 CO 0.25 -1.06 2.23 -0.33 0.00 0.00 0.00 175.10 176.18 2k1r h GLU 11 N 7.08 0.00 0.00 2.72 5.08 -1.36 -1.97 114.58 126.13 2k1r h GLU 11 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k1r h GLU 11 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2k1r h GLU 11 CO 0.84 0.00 -0.89 0.41 -1.00 0.00 0.00 179.01 178.36 2k1r n GLY 12 N -1.24 -1.07 3.67 -3.84 0.00 -1.23 -4.95 105.19 96.52 2k1r n GLY 12 Ca -0.02 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.02 4.14 0.00 1.61 -2.45 -0.74 -4.93 119.30 113.91 2k1r s MET 13 Ca 0.08 0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.53 2k1r s MET 13 Cb 0.16 -3.53 0.00 0.00 1.25 0.00 0.00 34.83 32.71 2k1r s MET 13 CO 0.82 0.02 0.44 -2.37 1.05 0.00 0.00 175.02 174.98 2k1r n THR 14 N 4.26 0.00 -4.40 10.11 5.66 -1.26 -4.36 114.28 124.28 2k1r n THR 14 Ca -0.11 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.69 2k1r n THR 14 Cb 0.51 0.05 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.60 0.42 -0.06 0.00 6.94 -1.26 -2.98 115.26 117.72 2k1r n ASN 16 Ca -0.02 0.63 -0.07 0.00 -0.02 0.00 0.00 54.58 55.10 2k1r n ASN 16 Cb 0.66 -0.71 -0.09 0.00 -2.36 0.00 0.00 39.78 37.28 2k1r n ASN 16 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2k1r n SER 17 N -1.99 2.11 -0.04 0.53 3.41 -1.26 -4.20 113.62 112.17 2k1r n SER 17 Ca 0.02 -0.01 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2k1r n SER 17 Cb 0.16 0.66 0.17 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.57 1.18 -0.42 0.00 -1.51 -1.77 -1.71 116.25 112.59 2k1r h VAL 19 Ca 0.09 -0.42 -0.15 0.00 -1.23 0.00 0.00 66.70 64.99 2k1r h VAL 19 Cb 0.60 -0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.59 2k1r h VAL 19 CO 0.04 0.23 -0.31 -0.25 -1.23 0.00 0.00 177.57 176.04 2k1r h TRP 20 N 1.23 1.12 -0.69 5.19 7.01 -1.61 -2.71 115.95 125.50 2k1r h TRP 20 Ca 0.38 -0.31 0.09 0.00 2.11 0.00 0.00 58.89 61.16 2k1r h TRP 20 Cb -0.01 -0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 26.74 2k1r h TRP 20 CO -0.00 1.14 0.34 1.15 -2.79 0.00 0.00 178.44 178.27 2k1r h THR 21 N 0.79 0.84 0.10 2.65 2.02 -0.79 -1.04 112.91 117.48 2k1r h THR 21 Ca 0.08 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2k1r h THR 21 Cb 0.90 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k1r h THR 21 CO 0.08 0.11 -0.15 0.40 0.37 0.00 0.00 175.52 176.33 2k1r h ILE 22 N 0.58 0.66 -0.31 3.11 1.08 -1.13 -0.44 117.51 121.06 2k1r h ILE 22 Ca 0.34 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 2k1r h ILE 22 Cb 0.36 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2k1r h ILE 22 CO -0.27 0.00 0.15 -0.08 -0.69 0.00 0.00 178.15 177.26 2k1r h GLU 23 N -0.29 0.42 -0.03 2.37 4.81 -1.09 0.37 114.58 121.13 2k1r h GLU 23 Ca 0.02 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 2k1r h GLU 23 Cb 0.31 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.61 2k1r h GLU 23 CO -0.08 0.34 -0.64 1.96 -0.73 0.00 0.00 179.01 179.86 2k1r h GLN 24 N 0.43 0.49 -0.17 1.92 1.08 -1.04 -2.54 115.11 115.29 2k1r h GLN 24 Ca 0.11 -0.48 -0.11 0.00 -1.45 0.00 0.00 58.65 56.71 2k1r h GLN 24 Cb 0.05 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2k1r h GLN 24 CO -0.02 1.12 -0.34 0.37 -0.95 0.00 0.00 178.83 179.02 2k1r h GLN 25 N 0.05 0.52 -0.12 1.46 5.75 -0.75 -3.12 115.11 118.90 2k1r h GLN 25 Ca -0.07 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.04 2k1r h GLN 25 Cb 1.32 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.91 2k1r h GLN 25 CO 0.13 0.95 -0.13 0.82 -2.65 0.00 0.00 178.83 177.94 2k1r h ILE 26 N 0.17 1.36 0.00 2.39 1.08 -1.09 -3.00 117.51 118.42 2k1r h ILE 26 Ca 0.01 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 2k1r h ILE 26 Cb 0.93 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 2k1r h ILE 26 CO 0.07 0.38 0.00 0.61 -0.69 0.00 0.00 178.15 178.52 2k1r n GLY 27 N 0.24 -0.27 0.01 5.37 0.00 -0.95 -0.30 105.19 109.29 2k1r n GLY 27 Ca -0.07 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.13 0.08 -2.81 1.61 4.81 -1.13 -4.82 118.16 114.76 2k1r n LYS 28 Ca 0.03 -0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 57.03 2k1r n LYS 28 Cb 0.02 -1.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.52 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 -3.05 4.31 0.47 3.15 1.01 0.59 -4.94 120.40 121.94 2k1r s VAL 29 Ca 0.08 0.23 0.42 0.00 0.00 0.00 0.00 61.98 62.72 2k1r s VAL 29 Cb 0.16 -4.60 0.63 0.00 0.00 0.00 0.00 36.38 32.57 2k1r s VAL 29 CO 0.81 -1.23 1.32 -3.20 0.00 0.00 0.00 175.10 172.80 2k1r n ASN 30 N 7.68 0.00 0.08 3.32 2.85 -1.26 -1.85 115.26 126.08 2k1r n ASN 30 Ca 0.01 0.85 0.12 0.00 -0.11 0.00 0.00 54.58 55.45 2k1r n ASN 30 Cb 0.47 -0.42 0.13 0.00 1.24 0.00 0.00 39.78 41.20 2k1r n ASN 30 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2k1r h GLY 31 N 0.00 0.00 -3.75 8.20 0.00 -1.92 -3.49 103.07 102.11 2k1r h GLY 31 Ca 0.80 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.59 2k1r h GLY 31 CO -0.02 0.00 0.74 -1.34 0.00 0.00 0.00 176.54 175.92 2k1r s VAL 32 N -3.22 2.11 -0.11 4.60 -7.23 -0.77 -1.99 120.40 113.79 2k1r s VAL 32 Ca 0.05 0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.36 2k1r s VAL 32 Cb 0.12 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 2k1r s VAL 32 CO 0.73 0.02 -0.05 1.57 -0.31 0.00 0.00 175.10 177.06 2k1r n HIS 33 N 0.24 0.00 -3.67 2.82 -0.00 0.42 -4.87 115.22 110.16 2k1r n HIS 33 Ca 0.02 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.07 2k1r n HIS 33 Cb 0.40 -0.46 -0.08 0.00 -0.12 0.00 0.00 29.99 29.73 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 -2.23 -0.67 -0.04 1.57 2.46 -0.70 -4.98 115.29 110.69 2k1r s HIS 34 Ca -0.12 1.64 0.05 0.00 0.47 0.00 0.00 55.06 57.11 2k1r s HIS 34 Cb 0.04 0.23 -0.01 0.00 -0.13 0.00 0.00 32.58 32.71 2k1r s HIS 34 CO 0.32 -0.32 -0.21 -1.50 -2.47 0.00 0.00 174.74 170.56 2k1r s ILE 35 N 0.33 1.69 -0.00 0.89 -1.16 -1.26 -0.56 121.20 121.13 2k1r s ILE 35 Ca -0.00 -0.87 0.01 0.00 -0.51 0.00 0.00 60.65 59.28 2k1r s ILE 35 Cb -0.04 -1.43 -0.00 0.00 0.61 0.00 0.00 42.46 41.59 2k1r s ILE 35 CO 0.01 0.48 -0.04 -0.75 -2.81 0.00 0.00 174.94 171.83 2k1r s LYS 36 N -0.15 0.29 -0.00 3.50 2.47 -0.12 -5.02 119.74 120.72 2k1r s LYS 36 Ca -0.01 -0.16 0.01 0.00 -1.56 0.00 0.00 55.97 54.24 2k1r s LYS 36 Cb -0.11 -0.26 -0.00 0.00 -1.46 0.00 0.00 37.83 35.99 2k1r s LYS 36 CO 0.02 0.07 -0.02 0.14 0.16 0.00 0.00 175.35 175.72 2k1r s VAL 37 N -0.17 0.14 -0.20 4.02 -7.23 -1.26 -0.60 120.40 115.09 2k1r s VAL 37 Ca 0.00 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2k1r s VAL 37 Cb -0.02 -0.13 0.03 0.00 0.56 0.00 0.00 36.38 36.82 2k1r s VAL 37 CO -0.00 0.04 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.23 2k1r s SER 38 N -0.03 3.56 0.18 4.85 0.01 -0.23 -5.00 113.70 117.04 2k1r s SER 38 Ca 0.01 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.55 2k1r s SER 38 Cb -0.01 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.72 2k1r s SER 38 CO -0.00 -0.05 1.41 0.17 0.41 0.00 0.00 173.24 175.18 2k1r h LEU 39 N 7.93 0.10 -0.04 2.44 8.10 -1.89 -1.36 115.31 130.60 2k1r h LEU 39 Ca -0.40 -0.08 -0.19 0.00 0.11 0.00 0.00 57.88 57.31 2k1r h LEU 39 Cb 1.12 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 41.28 2k1r h LEU 39 CO 0.60 0.90 -0.92 1.05 -4.11 0.00 0.00 178.44 175.95 2k1r h GLU 40 N 0.04 0.00 0.00 0.17 9.09 -1.91 -3.19 114.58 118.79 2k1r h GLU 40 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2k1r h GLU 40 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 2k1r h GLU 40 CO 0.12 0.92 -0.76 0.39 0.05 0.00 0.00 179.01 179.73 2k1r n GLU 41 N -3.36 0.31 -2.05 1.06 1.02 -1.24 -5.00 120.64 111.38 2k1r n GLU 41 Ca 0.00 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 2k1r n GLU 41 Cb 0.90 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.10 -0.94 -4.09 3.49 5.02 -0.57 -4.95 118.16 114.02 2k1r n LYS 42 Ca 0.03 0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 56.74 2k1r n LYS 42 Cb 0.44 -4.79 -0.06 0.00 -0.02 0.00 0.00 35.03 30.60 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 -2.54 4.67 -0.14 4.39 2.20 -0.85 -0.06 114.94 122.61 2k1r s ASN 43 Ca 0.00 -0.78 -0.05 0.00 -0.94 0.00 0.00 52.86 51.08 2k1r s ASN 43 Cb 0.00 -0.72 0.07 0.00 -2.00 0.00 0.00 41.25 38.60 2k1r s ASN 43 CO 0.00 -0.31 0.29 0.00 -2.94 0.00 0.00 177.10 174.14 2k1r s ALA 44 N -2.43 -0.67 -0.09 3.54 0.00 0.53 -1.07 121.76 121.56 2k1r s ALA 44 Ca 0.38 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2k1r s ALA 44 Cb -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.08 2k1r s ALA 44 CO 0.23 -0.60 -0.18 0.99 0.00 0.00 0.00 175.76 176.19 2k1r s THR 45 N 2.29 1.63 -0.14 0.00 2.01 0.23 -0.23 115.64 121.43 2k1r s THR 45 Ca -0.01 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2k1r s THR 45 Cb -0.12 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.00 2k1r s THR 45 CO -0.09 0.46 0.36 -0.51 -0.69 0.00 0.00 174.62 174.15 2k1r s ILE 46 N 0.51 -0.01 -0.18 1.82 -1.16 -0.39 -0.94 121.20 120.85 2k1r s ILE 46 Ca -0.17 0.05 -0.03 0.00 -0.51 0.00 0.00 60.65 59.99 2k1r s ILE 46 Cb -0.17 -0.52 -0.02 0.00 0.61 0.00 0.00 42.46 42.37 2k1r s ILE 46 CO 0.06 0.02 -0.06 -0.63 -2.81 0.00 0.00 174.94 171.52 2k1r s ILE 47 N 0.71 3.46 0.24 2.00 1.01 0.28 -0.79 121.20 128.10 2k1r s ILE 47 Ca -0.04 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.22 2k1r s ILE 47 Cb -0.05 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2k1r s ILE 47 CO -0.05 0.46 -0.18 -0.72 0.00 0.00 0.00 174.94 174.46 2k1r s TYR 48 N 0.90 2.01 -0.20 3.97 1.13 -0.34 -0.44 117.35 124.39 2k1r s TYR 48 Ca -0.01 -0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 54.92 2k1r s TYR 48 Cb -0.15 -0.91 -0.02 0.00 -1.10 0.00 0.00 41.96 39.78 2k1r s TYR 48 CO 0.01 0.53 1.48 0.34 -2.51 0.00 0.00 175.55 175.40 2k1r s ASP 49 N -3.32 6.60 0.17 -0.18 2.15 -0.84 -1.36 116.67 119.88 2k1r s ASP 49 Ca 0.25 1.64 0.21 0.00 0.43 0.00 0.00 52.55 55.08 2k1r s ASP 49 Cb -0.03 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 40.92 2k1r s ASP 49 CO 0.11 -1.07 1.65 -0.81 -0.17 0.00 0.00 175.17 174.88 2k1r n PRO 50 N 7.29 0.13 -0.03 4.34 -0.04 -1.26 -1.92 135.00 143.50 2k1r n PRO 50 Ca 0.17 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2k1r n PRO 50 Cb 0.45 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.21 0.00 0.54 1.57 -1.92 -3.38 116.57 113.60 2k1r h LYS 51 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k1r h LYS 51 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2k1r h LYS 51 CO 0.00 0.31 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.91 2k1r h LEU 52 N 0.07 0.00-10.47 2.94 4.07 -1.93 -3.50 115.31 106.50 2k1r h LEU 52 Ca 0.05 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.57 2k1r h LEU 52 Cb 0.18 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.96 2k1r h LEU 52 CO -0.00 0.55 -0.06 -1.10 -1.08 0.00 0.00 178.44 176.74 2k1r s GLN 53 N -1.77 2.66 0.18 1.13 -0.21 -0.81 -5.12 119.66 115.72 2k1r s GLN 53 Ca -0.06 -0.75 -0.01 0.00 0.02 0.00 0.00 55.36 54.56 2k1r s GLN 53 Cb 0.01 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2k1r s GLN 53 CO 0.09 -0.60 0.11 0.95 -2.12 0.00 0.00 175.29 173.72 2k1r s THR 54 N -2.70 0.04 0.54 -0.19 -4.23 -1.26 -4.67 115.64 103.17 2k1r s THR 54 Ca 0.55 -1.96 0.24 0.00 -1.18 0.00 0.00 61.69 59.34 2k1r s THR 54 Cb -0.10 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.77 2k1r s THR 54 CO 0.38 -0.17 2.04 -0.65 -0.54 0.00 0.00 174.62 175.68 2k1r h PRO 55 N 2.70 0.00 -0.82 3.99 0.11 -2.00 -0.56 132.00 135.42 2k1r h PRO 55 Ca -0.36 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.90 2k1r h PRO 55 Cb 1.23 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.25 2k1r h PRO 55 CO 0.55 0.00 0.40 -0.22 -0.21 0.00 0.00 178.00 178.52 2k1r h LYS 56 N 0.00 0.55 -0.60 1.05 3.64 -1.99 -0.62 116.57 118.60 2k1r h LYS 56 Ca 0.17 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2k1r h LYS 56 Cb 0.73 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 2k1r h LYS 56 CO -0.00 0.36 0.16 1.15 -2.27 0.00 0.00 179.45 178.85 2k1r h THR 57 N 0.57 1.24 -0.12 1.00 2.02 -1.50 -1.89 112.91 114.22 2k1r h THR 57 Ca 0.45 -0.84 -0.16 0.00 0.77 0.00 0.00 66.41 66.63 2k1r h THR 57 Cb 0.66 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2k1r h THR 57 CO -0.38 0.32 -0.56 -0.07 0.37 0.00 0.00 175.52 175.20 2k1r h LEU 58 N 0.89 0.70 -1.47 2.58 -0.00 -1.27 -3.11 115.31 113.63 2k1r h LEU 58 Ca 0.20 -0.63 0.04 0.00 -0.00 0.00 0.00 57.88 57.48 2k1r h LEU 58 Cb 0.29 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2k1r h LEU 58 CO -0.00 1.22 0.40 1.56 -0.00 0.00 0.00 178.44 181.61 2k1r h GLN 59 N 0.22 0.67 0.00 1.13 4.20 -1.08 -3.03 115.11 117.21 2k1r h GLN 59 Ca -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2k1r h GLN 59 Cb 1.20 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2k1r h GLN 59 CO 0.12 0.44 0.00 1.49 -0.67 0.00 0.00 178.83 180.21 2k1r h GLU 60 N 0.69 0.00 0.00 1.46 4.81 -1.27 -1.23 114.58 119.04 2k1r h GLU 60 Ca 0.24 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 2k1r h GLU 60 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k1r h GLU 60 CO -0.07 0.00 -0.48 0.00 -0.73 0.00 0.00 179.01 177.74 2k1r h ALA 61 N 2.04 1.04 -0.12 2.92 0.00 -1.61 -3.07 119.26 120.46 2k1r h ALA 61 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 2k1r h ALA 61 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k1r h ALA 61 CO 0.00 0.60 -0.74 0.82 0.00 0.00 0.00 179.25 179.93 2k1r h ILE 62 N 0.00 1.30 0.00 0.00 1.08 -1.40 -3.21 117.51 115.28 2k1r h ILE 62 Ca -0.00 -1.97 -0.02 0.00 -0.39 0.00 0.00 64.86 62.47 2k1r h ILE 62 Cb 0.94 2.09 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 2k1r h ILE 62 CO 0.06 0.61 -0.11 -0.78 -0.69 0.00 0.00 178.15 177.24 2k1r h ASP 63 N 0.41 0.00 0.82 1.72 3.58 -1.57 -1.81 116.42 119.56 2k1r h ASP 63 Ca -0.06 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2k1r h ASP 63 Cb 1.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2k1r h ASP 63 CO 0.15 0.11 -0.24 -0.78 -2.88 0.00 0.00 179.24 175.60 2k1r h ASP 64 N 0.00 0.00 -1.64 2.28 1.82 -1.54 -3.44 116.42 113.90 2k1r h ASP 64 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k1r h ASP 64 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2k1r h ASP 64 CO 0.01 0.24 0.00 0.23 -1.61 0.00 0.00 179.24 178.12 2k1r n MET 65 N -3.46 1.47 -2.83 0.28 2.81 -0.68 -5.06 117.12 109.65 2k1r n MET 65 Ca -0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 2k1r n MET 65 Cb 0.42 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.90 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 5.73 2.10 3.03 0.00 -1.26 -5.01 105.19 114.78 2k1r n GLY 66 Ca 0.00 -2.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.26 -0.32 -3.85 1.61 3.72 -1.26 -5.05 117.46 112.05 2k1r n PHE 67 Ca 0.34 -1.77 -0.10 0.00 -0.05 0.00 0.00 57.45 55.87 2k1r n PHE 67 Cb 0.40 0.13 -0.08 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.54 0.05 0.22 4.37 2.15 -1.26 -4.77 116.67 114.88 2k1r s ASP 68 Ca 0.22 -0.40 -0.09 0.00 0.43 0.00 0.00 52.55 52.71 2k1r s ASP 68 Cb 0.01 0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.91 2k1r s ASP 68 CO 0.15 -0.57 0.36 0.00 -0.17 0.00 0.00 175.17 174.94 2k1r s ALA 69 N -2.67 0.10 -0.09 3.66 0.00 -1.26 -1.31 121.76 120.19 2k1r s ALA 69 Ca -0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2k1r s ALA 69 Cb -0.01 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.24 2k1r s ALA 69 CO -0.04 -0.75 0.22 0.08 0.00 0.00 0.00 175.76 175.27 2k1r s VAL 70 N -4.03 -0.04 0.11 0.00 1.01 0.44 -4.95 120.40 112.94 2k1r s VAL 70 Ca 0.24 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2k1r s VAL 70 Cb 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 2k1r s VAL 70 CO 0.07 0.05 1.17 -0.63 0.00 0.00 0.00 175.10 175.77 2k1r s ILE 71 N 1.06 3.91 -0.12 2.22 1.01 -1.26 -0.32 121.20 127.69 2k1r s ILE 71 Ca -0.08 1.47 0.17 0.00 0.00 0.00 0.00 60.65 62.21 2k1r s ILE 71 Cb -0.09 -3.94 0.34 0.00 0.01 0.00 0.00 42.46 38.78 2k1r s ILE 71 CO -0.07 0.17 1.18 1.57 0.00 0.00 0.00 174.94 177.79 2k1r n HIS 72 N 3.29 -0.03 1.97 3.97 -0.00 0.64 -4.90 115.22 120.16 2k1r n HIS 72 Ca 0.07 -1.10 0.16 0.00 0.46 0.00 0.00 57.72 57.30 2k1r n HIS 72 Cb 0.46 0.26 0.93 0.00 -0.12 0.00 0.00 29.99 31.52 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09