#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 3.56 3.09 3.17 0.00 -1.26 -5.14 105.19 108.61 2k1r n GLY 2 Ca 0.00 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 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 2.18 1.20 0.18 1.61 -7.23 -1.26 -4.56 120.40 112.52 2k1r s VAL 3 Ca 0.00 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.61 2k1r s VAL 3 Cb 0.00 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2k1r s VAL 3 CO 0.00 0.35 0.26 0.20 -0.31 0.00 0.00 175.10 175.60 2k1r s ASN 4 N 0.05 6.10 -0.00 4.85 0.01 -0.75 -4.98 114.94 120.21 2k1r s ASN 4 Ca -0.03 0.05 -0.09 0.00 -0.71 0.00 0.00 52.86 52.09 2k1r s ASN 4 Cb -0.10 -1.76 0.01 0.00 0.41 0.00 0.00 41.25 39.81 2k1r s ASN 4 CO 0.01 0.02 0.17 -0.55 -1.51 0.00 0.00 177.10 175.25 2k1r s SER 5 N -3.40 -0.03 0.04 -1.22 0.15 -1.26 -1.01 113.70 106.97 2k1r s SER 5 Ca 0.34 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.65 2k1r s SER 5 Cb -0.10 0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.49 2k1r s SER 5 CO 0.27 -0.37 0.48 0.54 1.20 0.00 0.00 173.24 175.36 2k1r s VAL 6 N -1.30 0.04 0.03 4.45 0.11 -0.27 -5.01 120.40 118.45 2k1r s VAL 6 Ca -0.14 -0.31 0.08 0.00 -2.93 0.00 0.00 61.98 58.68 2k1r s VAL 6 Cb -0.07 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2k1r s VAL 6 CO 0.02 -0.17 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.49 2k1r s THR 7 N -2.35 1.91 -0.06 5.04 2.01 -1.26 -1.14 115.64 119.79 2k1r s THR 7 Ca -0.06 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.74 2k1r s THR 7 Cb -0.01 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.89 2k1r s THR 7 CO -0.01 0.36 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.53 2k1r s ILE 8 N -0.73 1.10 -0.40 1.82 1.01 0.51 -0.56 121.20 123.96 2k1r s ILE 8 Ca 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2k1r s ILE 8 Cb -0.09 -1.01 -0.14 0.00 0.01 0.00 0.00 42.46 41.23 2k1r s ILE 8 CO 0.01 0.35 2.50 -1.20 0.00 0.00 0.00 174.94 176.59 2k1r n SER 9 N 3.77 4.38 -4.55 3.58 7.64 -0.64 -0.61 113.62 127.19 2k1r n SER 9 Ca -0.23 -2.24 -0.38 0.00 1.01 0.00 0.00 58.87 57.04 2k1r n SER 9 Cb 0.52 -1.05 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2k1r n SER 9 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2k1r s VAL 10 N 2.19 3.19 -0.05 0.44 1.01 -1.21 -4.57 120.40 121.40 2k1r s VAL 10 Ca 0.46 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 2k1r s VAL 10 Cb 0.18 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 2k1r s VAL 10 CO -0.01 -0.45 0.48 -0.33 0.00 0.00 0.00 175.10 174.79 2k1r h GLU 11 N 17.05 -0.39 -0.62 2.72 5.08 -1.72 -3.27 114.58 133.44 2k1r h GLU 11 Ca -0.26 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2k1r h GLU 11 Cb 1.21 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2k1r h GLU 11 CO 1.18 -0.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.34 2k1r n GLY 12 N 0.71 0.81 1.65 -3.84 0.00 -1.26 -4.63 105.19 98.63 2k1r n GLY 12 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2k1r n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k1r n MET 13 N 0.03 1.30 0.00 1.61 0.00 -1.26 -4.60 117.12 114.19 2k1r n MET 13 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 57.70 57.38 2k1r n MET 13 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.08 2k1r n MET 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2k1r n THR 14 N 1.75 0.00 -0.97 1.12 5.66 -1.26 -4.39 114.28 116.18 2k1r n THR 14 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2k1r n THR 14 Cb 0.62 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.99 0.00 0.00 0.00 5.15 -1.26 -4.91 115.26 112.25 2k1r n ASN 16 Ca 0.00 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 2k1r n ASN 16 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 1.74 0.21 1.20 3.41 -1.26 -4.71 113.62 114.21 2k1r n SER 17 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2k1r n SER 17 Cb 0.15 0.30 0.46 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.00 1.04 -0.19 0.00 -1.51 -1.91 -1.41 116.25 112.26 2k1r h VAL 19 Ca -0.00 -0.25 -0.18 0.00 -1.23 0.00 0.00 66.70 65.03 2k1r h VAL 19 Cb 0.43 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 29.84 2k1r h VAL 19 CO 0.03 0.13 -0.62 -0.25 -1.23 0.00 0.00 177.57 175.63 2k1r h TRP 20 N 0.72 0.87 -0.36 5.19 7.01 -1.55 -2.89 115.95 124.94 2k1r h TRP 20 Ca 0.29 -0.33 0.07 0.00 2.11 0.00 0.00 58.89 61.02 2k1r h TRP 20 Cb 0.21 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 2k1r h TRP 20 CO -0.00 1.12 -0.01 1.15 -2.79 0.00 0.00 178.44 177.91 2k1r h THR 21 N 0.50 0.71 -0.28 2.65 2.02 -0.71 -0.08 112.91 117.72 2k1r h THR 21 Ca -0.01 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2k1r h THR 21 Cb 1.21 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 2k1r h THR 21 CO 0.12 0.02 -0.15 0.40 0.37 0.00 0.00 175.52 176.27 2k1r h ILE 22 N 0.08 0.54 -0.49 3.11 1.08 -1.27 0.34 117.51 120.90 2k1r h ILE 22 Ca 0.18 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.59 2k1r h ILE 22 Cb 0.25 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2k1r h ILE 22 CO -0.31 0.00 0.08 -0.08 -0.69 0.00 0.00 178.15 177.15 2k1r h GLU 23 N -0.12 0.77 -0.02 2.37 4.81 -1.20 -0.66 114.58 120.52 2k1r h GLU 23 Ca 0.15 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 2k1r h GLU 23 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2k1r h GLU 23 CO -0.36 0.73 -0.85 1.96 -0.73 0.00 0.00 179.01 179.76 2k1r h GLN 24 N 0.73 0.30 0.18 1.92 1.08 -0.70 -2.59 115.11 116.03 2k1r h GLN 24 Ca 0.16 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2k1r h GLN 24 Cb 0.34 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2k1r h GLN 24 CO 0.01 0.98 -0.09 1.96 -0.95 0.00 0.00 178.83 180.74 2k1r h GLN 25 N 0.18 -0.23 -0.25 1.46 4.20 -0.64 -3.27 115.11 116.56 2k1r h GLN 25 Ca -0.05 0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 2k1r h GLN 25 Cb 1.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.29 2k1r h GLN 25 CO 0.14 0.17 -0.61 0.82 -0.67 0.00 0.00 178.83 178.67 2k1r h ILE 26 N -0.72 1.28 -0.93 2.54 5.03 -1.25 -2.95 117.51 120.51 2k1r h ILE 26 Ca -0.02 -1.80 0.15 0.00 -0.12 0.00 0.00 64.86 63.07 2k1r h ILE 26 Cb 0.50 1.73 -0.08 0.00 -3.03 0.00 0.00 36.82 35.94 2k1r h ILE 26 CO 0.04 0.58 0.59 1.23 -0.68 0.00 0.00 178.15 179.91 2k1r h GLY 27 N 0.68 1.31 2.00 5.37 0.00 -1.63 -1.36 103.07 109.45 2k1r h GLY 27 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k1r h GLY 27 CO 0.13 0.07 0.00 1.17 0.00 0.00 0.00 176.54 177.91 2k1r n LYS 28 N -4.59 0.06 0.22 4.80 3.00 -1.12 -4.32 118.16 116.22 2k1r n LYS 28 Ca 0.19 0.18 -0.17 0.00 -0.00 0.00 0.00 58.31 58.51 2k1r n LYS 28 Cb 0.50 -1.60 -0.09 0.00 0.00 0.00 0.00 35.03 33.84 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 0.00 0.08 0.00 3.15 2.07 -1.26 -3.48 116.25 116.82 2k1r h VAL 29 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k1r h VAL 29 Cb 0.43 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2k1r h VAL 29 CO 0.00 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.13 2k1r n ASN 30 N -5.52 0.00 -0.45 0.57 0.23 -1.26 -5.00 115.26 103.83 2k1r n ASN 30 Ca -0.10 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.00 2k1r n ASN 30 Cb 0.42 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.20 2k1r n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k1r n GLY 31 N 0.00 0.65 3.77 4.83 0.00 -1.26 -5.03 105.19 108.15 2k1r n GLY 31 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.87 3.56 0.00 1.61 -7.23 -1.26 -0.64 120.40 115.57 2k1r s VAL 32 Ca 0.14 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.67 2k1r s VAL 32 Cb 0.09 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.25 2k1r s VAL 32 CO 0.13 0.16 0.00 1.41 -0.31 0.00 0.00 175.10 176.49 2k1r n HIS 33 N 0.46 0.00 -3.65 2.82 8.25 0.53 -4.88 115.22 118.76 2k1r n HIS 33 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.40 2k1r n HIS 33 Cb 0.47 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.49 -0.95 -0.11 4.41 5.65 -0.55 -4.95 115.29 117.31 2k1r s HIS 34 Ca 0.00 1.94 0.01 0.00 0.25 0.00 0.00 55.06 57.26 2k1r s HIS 34 Cb 0.00 0.54 -0.01 0.00 -1.18 0.00 0.00 32.58 31.92 2k1r s HIS 34 CO 0.00 -0.48 -0.16 -1.50 -0.65 0.00 0.00 174.74 171.96 2k1r s ILE 35 N 1.49 2.85 -0.01 0.89 -1.16 -1.26 -0.72 121.20 123.29 2k1r s ILE 35 Ca -0.09 -0.75 0.03 0.00 -0.51 0.00 0.00 60.65 59.33 2k1r s ILE 35 Cb -0.06 -2.16 -0.01 0.00 0.61 0.00 0.00 42.46 40.84 2k1r s ILE 35 CO -0.17 0.54 -0.10 -0.75 -2.81 0.00 0.00 174.94 171.65 2k1r s LYS 36 N 0.14 0.80 -0.05 3.50 2.20 0.04 -5.02 119.74 121.35 2k1r s LYS 36 Ca -0.08 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 2k1r s LYS 36 Cb -0.15 -0.77 0.03 0.00 -1.51 0.00 0.00 37.83 35.43 2k1r s LYS 36 CO 0.05 0.21 0.04 0.14 -0.36 0.00 0.00 175.35 175.44 2k1r s VAL 37 N -0.27 0.04 -0.54 4.02 -7.23 -1.26 -0.75 120.40 114.40 2k1r s VAL 37 Ca 0.03 0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 60.36 2k1r s VAL 37 Cb -0.04 -0.27 0.10 0.00 0.56 0.00 0.00 36.38 36.73 2k1r s VAL 37 CO -0.00 0.20 0.56 -0.44 -0.31 0.00 0.00 175.10 175.10 2k1r s SER 38 N 2.11 6.18 0.33 4.85 0.01 -0.15 -4.95 113.70 122.09 2k1r s SER 38 Ca 0.05 -1.51 0.26 0.00 1.31 0.00 0.00 55.95 56.06 2k1r s SER 38 Cb -0.12 -2.24 0.97 0.00 0.21 0.00 0.00 66.02 64.84 2k1r s SER 38 CO -0.04 -0.91 1.78 0.17 0.41 0.00 0.00 173.24 174.66 2k1r h LEU 39 N 9.29 0.00 0.00 2.44 8.10 -1.85 -1.15 115.31 132.13 2k1r h LEU 39 Ca -0.29 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.51 2k1r h LEU 39 Cb 1.10 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.28 2k1r h LEU 39 CO 1.02 0.00 -1.90 -1.84 -4.11 0.00 0.00 178.44 171.62 2k1r n GLU 40 N -2.53 1.37 -0.24 0.17 0.00 -1.26 -4.39 120.64 113.77 2k1r n GLU 40 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 57.16 57.25 2k1r n GLU 40 Cb 0.32 -1.36 0.23 0.00 0.00 0.00 0.00 31.44 30.63 2k1r n GLU 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2k1r n GLU 41 N -2.39 2.52 -3.71 3.44 1.02 -1.22 -5.02 120.64 115.27 2k1r n GLU 41 Ca -0.18 -2.30 -0.23 0.00 -0.02 0.00 0.00 57.16 54.43 2k1r n GLU 41 Cb 0.81 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.33 -5.30 -3.73 3.49 5.02 -0.44 -4.98 118.16 113.55 2k1r n LYS 42 Ca 0.19 0.64 -0.14 0.00 -2.02 0.00 0.00 58.31 56.98 2k1r n LYS 42 Cb 0.56 -5.32 -0.08 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.12 -0.25 -0.17 4.39 2.20 -1.20 -3.32 114.94 112.46 2k1r s ASN 43 Ca 0.15 0.16 0.01 0.00 -0.94 0.00 0.00 52.86 52.24 2k1r s ASN 43 Cb -0.07 0.35 0.01 0.00 -2.00 0.00 0.00 41.25 39.53 2k1r s ASN 43 CO 0.81 -0.48 -0.18 0.00 -2.94 0.00 0.00 177.10 174.31 2k1r s ALA 44 N -1.38 2.40 0.01 3.54 0.00 0.22 -0.97 121.76 125.58 2k1r s ALA 44 Ca -0.13 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 50.78 2k1r s ALA 44 Cb -0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2k1r s ALA 44 CO 0.05 -0.19 -0.26 0.99 0.00 0.00 0.00 175.76 176.35 2k1r s THR 45 N 1.06 2.07 -0.19 0.00 2.01 0.07 -0.36 115.64 120.30 2k1r s THR 45 Ca -0.01 -1.24 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 2k1r s THR 45 Cb -0.14 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.67 2k1r s THR 45 CO -0.06 0.46 0.49 -0.51 -0.69 0.00 0.00 174.62 174.31 2k1r s ILE 46 N -0.71 -0.00 -0.13 1.82 2.07 -0.30 -0.78 121.20 123.17 2k1r s ILE 46 Ca 0.11 0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.31 2k1r s ILE 46 Cb -0.10 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 2k1r s ILE 46 CO 0.01 0.01 0.07 -0.63 -1.91 0.00 0.00 174.94 172.48 2k1r s ILE 47 N 0.57 4.86 0.08 2.00 1.01 0.10 -1.11 121.20 128.71 2k1r s ILE 47 Ca -0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 2k1r s ILE 47 Cb -0.04 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 2k1r s ILE 47 CO -0.03 0.56 0.18 -0.72 0.00 0.00 0.00 174.94 174.92 2k1r s TYR 48 N -0.48 0.17 0.03 3.97 -0.85 -0.18 -0.35 117.35 119.66 2k1r s TYR 48 Ca 0.10 -0.59 -0.30 0.00 -0.52 0.00 0.00 57.07 55.76 2k1r s TYR 48 Cb -0.12 -0.08 -0.07 0.00 0.38 0.00 0.00 41.96 42.07 2k1r s TYR 48 CO 0.02 -0.53 1.65 0.34 -1.52 0.00 0.00 175.55 175.52 2k1r s ASP 49 N -2.82 6.63 0.40 -0.18 2.15 0.19 -1.81 116.67 121.24 2k1r s ASP 49 Ca 0.04 2.40 0.11 0.00 0.43 0.00 0.00 52.55 55.53 2k1r s ASP 49 Cb 0.05 -2.55 0.92 0.00 -0.30 0.00 0.00 42.92 41.03 2k1r s ASP 49 CO -0.11 -0.90 1.96 -0.65 -0.17 0.00 0.00 175.17 175.31 2k1r h PRO 50 N 8.79 0.53 0.34 4.34 0.11 -1.86 -2.75 132.00 141.50 2k1r h PRO 50 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2k1r h PRO 50 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k1r h PRO 50 CO 0.94 0.35 -0.16 0.87 -0.21 0.00 0.00 178.00 179.78 2k1r h LYS 51 N 0.54 -0.44 0.00 1.05 1.57 -1.95 -3.39 116.57 113.95 2k1r h LYS 51 Ca 0.30 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2k1r h LYS 51 Cb 0.47 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2k1r h LYS 51 CO -0.10 -0.26 -0.99 1.28 -0.57 0.00 0.00 179.45 178.82 2k1r n LEU 52 N -5.08 0.84 -4.54 2.94 4.32 -1.24 -5.00 117.00 109.23 2k1r n LEU 52 Ca -0.06 0.32 -0.28 0.00 -0.02 0.00 0.00 56.01 55.97 2k1r n LEU 52 Cb 0.20 -0.07 -0.10 0.00 -1.62 0.00 0.00 43.42 41.83 2k1r n LEU 52 CO 0.16 -0.18 -0.44 -1.58 -1.22 0.00 0.00 177.39 174.13 2k1r s GLN 53 N -3.35 1.94 0.10 3.23 -0.44 -1.04 -4.86 119.66 115.25 2k1r s GLN 53 Ca -0.00 -1.24 0.03 0.00 -2.50 0.00 0.00 55.36 51.64 2k1r s GLN 53 Cb 0.10 -2.13 -0.04 0.00 -1.64 0.00 0.00 33.01 29.29 2k1r s GLN 53 CO 0.79 0.45 -0.08 0.95 0.50 0.00 0.00 175.29 177.90 2k1r s THR 54 N -1.50 0.79 0.36 -0.34 -4.23 -1.26 -4.79 115.64 104.67 2k1r s THR 54 Ca 0.22 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 2k1r s THR 54 Cb -0.09 -1.51 0.10 0.00 1.34 0.00 0.00 72.50 72.34 2k1r s THR 54 CO 0.13 -0.73 1.83 -0.65 -0.54 0.00 0.00 174.62 174.65 2k1r h PRO 55 N 3.24 0.16 -0.14 3.99 0.11 -2.00 -3.29 132.00 134.07 2k1r h PRO 55 Ca -0.36 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.74 2k1r h PRO 55 Cb 1.18 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2k1r h PRO 55 CO 0.59 0.44 -0.32 -0.22 -0.21 0.00 0.00 178.00 178.28 2k1r h LYS 56 N 0.15 -0.37 -0.96 1.05 3.64 -2.00 -2.29 116.57 115.78 2k1r h LYS 56 Ca 0.02 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.58 2k1r h LYS 56 Cb 0.59 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.41 2k1r h LYS 56 CO 0.04 -0.25 0.61 1.15 -2.27 0.00 0.00 179.45 178.73 2k1r h THR 57 N -0.39 0.81 -0.13 1.00 2.02 -1.99 -1.65 112.91 112.59 2k1r h THR 57 Ca 0.10 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 2k1r h THR 57 Cb 0.54 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2k1r h THR 57 CO -0.36 0.14 -0.55 -0.07 0.37 0.00 0.00 175.52 175.05 2k1r h LEU 58 N 0.78 0.41 0.07 2.58 4.07 -1.53 -1.48 115.31 120.22 2k1r h LEU 58 Ca 0.50 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 2k1r h LEU 58 Cb 0.74 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2k1r h LEU 58 CO -0.27 0.88 -0.03 1.56 -1.08 0.00 0.00 178.44 179.50 2k1r h GLN 59 N 0.29 -0.09 0.00 1.13 4.20 -1.06 -3.32 115.11 116.26 2k1r h GLN 59 Ca 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2k1r h GLN 59 Cb 1.06 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 2k1r h GLN 59 CO 0.09 0.41 -0.01 0.93 -0.67 0.00 0.00 178.83 179.58 2k1r h GLU 60 N -0.64 0.00 -0.42 1.46 5.08 -1.28 -1.31 114.58 117.47 2k1r h GLU 60 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2k1r h GLU 60 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k1r h GLU 60 CO 0.02 0.01 -0.23 0.00 -1.00 0.00 0.00 179.01 177.81 2k1r h ALA 61 N 1.99 0.81 -0.08 3.43 0.00 -1.38 -3.18 119.26 120.85 2k1r h ALA 61 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 2k1r h ALA 61 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k1r h ALA 61 CO 0.00 0.65 -0.45 0.82 0.00 0.00 0.00 179.25 180.27 2k1r h ILE 62 N 0.73 1.33 0.00 0.00 1.08 -1.33 -3.25 117.51 116.07 2k1r h ILE 62 Ca 0.10 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.95 2k1r h ILE 62 Cb 0.76 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 2k1r h ILE 62 CO 0.06 0.48 0.00 -0.67 -0.69 0.00 0.00 178.15 177.33 2k1r n ASP 63 N -3.99 0.11 0.14 1.72 2.03 -1.14 -1.41 116.55 114.00 2k1r n ASP 63 Ca -0.02 0.53 0.01 0.00 0.52 0.00 0.00 54.79 55.84 2k1r n ASP 63 Cb 0.50 -0.55 0.32 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.14 -1.62 1.67 3.32 -1.67 -3.45 116.42 114.82 2k1r h ASP 64 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2k1r h ASP 64 Cb 0.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2k1r h ASP 64 CO 0.00 0.47 0.00 0.23 -1.72 0.00 0.00 179.24 178.22 2k1r n MET 65 N -4.12 2.00 -3.49 3.56 2.81 -0.50 -5.08 117.12 112.30 2k1r n MET 65 Ca -0.01 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.61 2k1r n MET 65 Cb 0.39 0.00 -0.09 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 5.00 4.38 3.18 3.03 0.00 -1.26 -5.07 105.19 114.46 2k1r n GLY 66 Ca 0.00 -2.57 -0.23 0.00 0.00 0.00 0.00 46.02 43.22 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 1.18 -0.10 -5.10 1.61 3.72 -1.26 -5.01 117.46 112.50 2k1r n PHE 67 Ca 0.27 -2.56 -0.32 0.00 -0.05 0.00 0.00 57.45 54.79 2k1r n PHE 67 Cb 0.41 0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.36 3.41 -0.28 4.37 1.01 -1.26 -4.92 116.67 115.64 2k1r s ASP 68 Ca 0.25 -0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.05 2k1r s ASP 68 Cb 0.01 -1.14 0.12 0.00 1.01 0.00 0.00 42.92 42.92 2k1r s ASP 68 CO 0.17 0.22 0.24 0.00 0.21 0.00 0.00 175.17 176.02 2k1r s ALA 69 N -0.01 -0.15 -0.05 5.23 0.00 -1.26 -2.93 121.76 122.60 2k1r s ALA 69 Ca -0.07 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.46 2k1r s ALA 69 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2k1r s ALA 69 CO 0.05 -1.66 -0.23 0.08 0.00 0.00 0.00 175.76 174.00 2k1r s VAL 70 N 2.29 2.23 0.05 0.00 1.01 -1.26 -4.92 120.40 119.80 2k1r s VAL 70 Ca 0.09 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2k1r s VAL 70 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2k1r s VAL 70 CO -0.33 0.57 1.08 -0.63 0.00 0.00 0.00 175.10 175.80 2k1r s ILE 71 N -0.35 4.38 0.00 2.22 1.01 -1.26 -1.61 121.20 125.58 2k1r s ILE 71 Ca 0.02 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.43 2k1r s ILE 71 Cb -0.12 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2k1r s ILE 71 CO 0.02 0.17 0.00 1.57 0.00 0.00 0.00 174.94 176.70 2k1r n HIS 72 N 3.65 0.00 -1.31 3.97 -0.00 0.28 -4.94 115.22 116.87 2k1r n HIS 72 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2k1r n HIS 72 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2k1r n HIS 72 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09