#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r h LYS 2 N 0.00 -0.22 -6.99 2.12 1.63 -1.85 -3.37 116.57 107.89 1p6r h LYS 2 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.33 1p6r h LYS 2 Cb 0.00 0.05 0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1p6r h LYS 2 CO 0.00 0.00 0.42 0.15 -3.45 0.00 0.00 179.45 176.57 1p6r s LYS 3 N -5.38 4.02 -0.76 1.90 1.02 -1.26 -4.31 119.74 114.97 1p6r s LYS 3 Ca -0.15 1.54 -0.20 0.00 0.02 0.00 0.00 55.97 57.18 1p6r s LYS 3 Cb 0.04 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1p6r s LYS 3 CO 0.63 -0.28 0.44 0.44 -0.92 0.00 0.00 175.35 175.66 1p6r n ILE 4 N -0.31 -1.79 -2.03 2.17 -5.35 -1.26 -4.91 119.36 105.88 1p6r n ILE 4 Ca 0.06 -0.32 -0.33 0.00 -0.27 0.00 0.00 62.75 61.89 1p6r n ILE 4 Cb 0.50 -1.53 0.02 0.00 -1.74 0.00 0.00 39.64 36.88 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p6r s PRO 5 N -6.21 3.21 -1.13 6.28 0.04 -1.26 -4.83 135.00 131.10 1p6r s PRO 5 Ca 0.27 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.41 1p6r s PRO 5 Cb -0.15 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1p6r s PRO 5 CO 0.64 -0.92 1.94 0.94 0.04 0.00 0.00 177.00 179.64 1p6r n GLN 6 N -1.97 1.51 -4.24 4.56 -0.06 -1.25 -4.84 117.38 111.09 1p6r n GLN 6 Ca 0.10 -2.36 -0.30 0.00 -2.00 0.00 0.00 57.00 52.43 1p6r n GLN 6 Cb 0.52 -3.65 -0.09 0.00 -4.06 0.00 0.00 30.24 22.95 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1p6r s ILE 7 N 10.76 3.58 0.29 1.69 -1.09 -1.26 -4.65 121.20 130.52 1p6r s ILE 7 Ca 0.68 -1.11 -0.20 0.00 -2.23 0.00 0.00 60.65 57.79 1p6r s ILE 7 Cb 0.01 -2.66 0.02 0.00 -1.58 0.00 0.00 42.46 38.25 1p6r s ILE 7 CO 0.14 0.16 0.72 -0.94 -1.23 0.00 0.00 174.94 173.79 1p6r s SER 8 N -2.10 -0.22 0.07 3.58 1.04 -1.26 -5.00 113.70 109.81 1p6r s SER 8 Ca 0.22 -0.68 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 1p6r s SER 8 Cb -0.11 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 1p6r s SER 8 CO 0.14 -1.38 1.30 -0.78 0.98 0.00 0.00 173.24 173.50 1p6r h ASP 9 N 2.01 -0.99 -0.44 7.02 3.58 -1.99 0.27 116.42 125.87 1p6r h ASP 9 Ca -0.21 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.42 1p6r h ASP 9 Cb 1.25 0.40 -0.05 0.00 1.72 0.00 0.00 39.33 42.65 1p6r h ASP 9 CO 0.25 -0.24 0.17 0.00 -2.88 0.00 0.00 179.24 176.55 1p6r h ALA 10 N -0.69 0.53 -0.77 -0.78 0.00 -1.99 0.44 119.26 116.00 1p6r h ALA 10 Ca 0.03 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1p6r h ALA 10 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1p6r h ALA 10 CO -0.29 -0.21 0.50 0.93 0.00 0.00 0.00 179.25 180.19 1p6r h GLU 11 N 0.36 0.85 -0.19 0.00 5.08 -1.84 -0.61 114.58 118.23 1p6r h GLU 11 Ca 0.20 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 1p6r h GLU 11 Cb 0.17 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1p6r h GLU 11 CO -0.18 0.56 -0.48 1.25 -1.00 0.00 0.00 179.01 179.16 1p6r h LEU 12 N 0.87 0.75 -0.41 1.33 7.12 0.92 0.11 115.31 126.00 1p6r h LEU 12 Ca 0.32 -0.57 0.08 0.00 0.13 0.00 0.00 57.88 57.83 1p6r h LEU 12 Cb 0.15 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 39.99 1p6r h LEU 12 CO -0.10 1.19 -0.06 -0.33 -0.13 0.00 0.00 178.44 179.01 1p6r h GLU 13 N 0.34 0.04 0.25 1.25 4.39 -0.37 0.16 114.58 120.64 1p6r h GLU 13 Ca -0.01 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1p6r h GLU 13 Cb 1.09 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1p6r h GLU 13 CO 0.10 0.03 -0.46 0.28 -1.16 0.00 0.00 179.01 177.81 1p6r h VAL 14 N 0.05 0.10 -0.52 3.13 2.07 -1.02 -0.98 116.25 119.07 1p6r h VAL 14 Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 1p6r h VAL 14 Cb 0.30 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 1p6r h VAL 14 CO -0.38 0.00 -0.00 0.24 0.02 0.00 0.00 177.57 177.45 1p6r h MET 15 N -0.78 0.11 -0.25 1.57 2.86 -0.00 0.19 114.93 118.62 1p6r h MET 15 Ca -0.01 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1p6r h MET 15 Cb 0.75 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 1p6r h MET 15 CO -0.19 0.07 -0.16 -0.22 1.06 0.00 0.00 176.91 177.48 1p6r h LYS 16 N 0.11 -0.14 0.19 1.72 3.64 -0.48 0.12 116.57 121.73 1p6r h LYS 16 Ca 0.26 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1p6r h LYS 16 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1p6r h LYS 16 CO -0.44 -0.09 -0.14 0.28 -2.27 0.00 0.00 179.45 176.79 1p6r h VAL 17 N -0.14 0.69 -0.38 2.00 2.07 0.23 -3.03 116.25 117.70 1p6r h VAL 17 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1p6r h VAL 17 Cb 0.35 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1p6r h VAL 17 CO -0.34 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 177.53 1p6r h ILE 18 N -0.34 0.58 0.00 4.57 2.04 -0.18 -1.26 117.51 122.92 1p6r h ILE 18 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1p6r h ILE 18 Cb 0.30 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1p6r h ILE 18 CO -0.01 0.00 0.09 -0.50 0.00 0.00 0.00 178.15 177.73 1p6r h TRP 19 N -0.03 0.00 0.00 1.37 6.55 -0.65 0.53 115.95 123.71 1p6r h TRP 19 Ca 0.18 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.94 1p6r h TRP 19 Cb 0.31 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 1p6r h TRP 19 CO -0.36 0.00 -0.38 0.87 -1.05 0.00 0.00 178.44 177.52 1p6r h LYS 20 N 0.00 0.00 -6.33 0.49 1.79 -1.18 -3.45 116.57 107.89 1p6r h LYS 20 Ca 0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.02 1p6r h LYS 20 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1p6r h LYS 20 CO 0.00 0.38 -0.34 -1.58 -1.08 0.00 0.00 179.45 176.84 1p6r s HIS 21 N -3.61 3.28 0.03 -1.35 2.46 0.18 -5.05 115.29 111.22 1p6r s HIS 21 Ca 0.00 -0.06 -0.29 0.00 0.47 0.00 0.00 55.06 55.18 1p6r s HIS 21 Cb 0.11 -1.87 -0.17 0.00 -0.13 0.00 0.00 32.58 30.53 1p6r s HIS 21 CO 0.69 0.13 1.29 0.77 -2.47 0.00 0.00 174.74 175.15 1p6r h SER 22 N 0.93 -0.80 -0.32 9.88 0.02 -1.87 -3.46 113.55 117.93 1p6r h SER 22 Ca -0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1p6r h SER 22 Cb 1.24 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1p6r h SER 22 CO 0.57 -0.45 0.00 -1.20 -1.14 0.00 0.00 176.83 174.60 1p6r n SER 23 N -5.43 0.64 -3.72 3.07 7.64 -1.26 -4.80 113.62 109.76 1p6r n SER 23 Ca -0.13 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 1p6r n SER 23 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1p6r n SER 23 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1p6r s ILE 24 N 0.23 -0.01 0.55 0.44 2.07 -1.11 -5.00 121.20 118.38 1p6r s ILE 24 Ca 0.00 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.13 1p6r s ILE 24 Cb 0.00 -0.61 -0.06 0.00 0.13 0.00 0.00 42.46 41.92 1p6r s ILE 24 CO 0.00 0.01 0.97 0.54 -1.91 0.00 0.00 174.94 174.55 1p6r s ASN 25 N 0.49 6.40 0.23 4.50 2.20 -1.26 -0.95 114.94 126.54 1p6r s ASN 25 Ca -0.02 1.40 -0.07 0.00 -0.94 0.00 0.00 52.86 53.23 1p6r s ASN 25 Cb -0.04 -2.45 0.28 0.00 -2.00 0.00 0.00 41.25 37.04 1p6r s ASN 25 CO -0.02 -0.70 1.84 0.74 -2.94 0.00 0.00 177.10 176.01 1p6r h THR 26 N 0.30 1.02 0.05 0.54 2.02 -1.49 -0.44 112.91 114.92 1p6r h THR 26 Ca -0.46 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1p6r h THR 26 Cb 1.19 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1p6r h THR 26 CO 0.62 0.16 -0.14 -1.13 0.37 0.00 0.00 175.52 175.40 1p6r h ASN 27 N 0.85 -0.38 -0.44 4.18 -1.24 -1.94 0.49 115.58 117.10 1p6r h ASN 27 Ca 0.33 0.05 0.08 0.00 0.71 0.00 0.00 56.30 57.48 1p6r h ASN 27 Cb 0.16 0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.28 1p6r h ASN 27 CO -0.17 -0.20 -0.03 -0.33 -1.29 0.00 0.00 177.43 175.42 1p6r h GLU 28 N -0.26 0.08 0.37 6.67 5.08 -1.85 -0.25 114.58 124.42 1p6r h GLU 28 Ca 0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1p6r h GLU 28 Cb 0.29 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1p6r h GLU 28 CO -0.10 0.05 -0.21 -0.24 -1.00 0.00 0.00 179.01 177.52 1p6r h VAL 29 N 0.08 0.57 -0.16 3.13 3.04 -0.33 0.16 116.25 122.75 1p6r h VAL 29 Ca 0.22 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.93 1p6r h VAL 29 Cb 0.32 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.14 1p6r h VAL 29 CO -0.38 0.00 -0.02 0.40 -1.01 0.00 0.00 177.57 176.56 1p6r h ILE 30 N -0.54 0.87 0.25 3.17 2.04 -0.71 -0.22 117.51 122.37 1p6r h ILE 30 Ca -0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1p6r h ILE 30 Cb 0.43 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1p6r h ILE 30 CO 0.06 0.01 -0.24 0.50 0.00 0.00 0.00 178.15 178.48 1p6r h LYS 31 N 0.03 -0.49 -0.27 2.37 1.63 -0.89 0.88 116.57 119.82 1p6r h LYS 31 Ca 0.07 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1p6r h LYS 31 Cb 0.10 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1p6r h LYS 31 CO -0.14 -0.33 0.08 1.49 -3.45 0.00 0.00 179.45 177.10 1p6r h GLU 32 N -0.51 0.19 0.18 1.90 4.57 -0.45 0.58 114.58 121.04 1p6r h GLU 32 Ca -0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1p6r h GLU 32 Cb 0.47 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1p6r h GLU 32 CO -0.04 0.13 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.76 1p6r h LEU 33 N 0.20 -0.20 -1.00 1.64 -0.00 -0.95 -2.79 115.31 112.20 1p6r h LEU 33 Ca 0.12 -0.14 0.20 0.00 -0.00 0.00 0.00 57.88 58.07 1p6r h LEU 33 Cb 0.10 0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 40.71 1p6r h LEU 33 CO -0.14 0.02 0.61 0.28 -0.00 0.00 0.00 178.44 179.21 1p6r h SER 34 N -0.43 0.76 -0.17 -0.43 0.02 -0.39 0.59 113.55 113.49 1p6r h SER 34 Ca -0.02 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1p6r h SER 34 Cb 0.33 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1p6r h SER 34 CO 0.04 0.23 -0.01 0.11 -1.14 0.00 0.00 176.83 176.06 1p6r h LYS 35 N 0.72 0.44 0.00 3.45 1.57 -0.76 -3.33 116.57 118.66 1p6r h LYS 35 Ca 0.60 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1p6r h LYS 35 Cb 0.98 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1p6r h LYS 35 CO -0.41 0.48 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 1p6r n THR 36 N -4.30 0.00 -3.42 -0.16 -2.24 0.55 -4.89 114.28 99.82 1p6r n THR 36 Ca 0.01 0.50 -0.44 0.00 -2.27 0.00 0.00 64.05 61.85 1p6r n THR 36 Cb 0.23 -1.50 -0.08 0.00 -2.10 0.00 0.00 70.33 66.88 1p6r n THR 36 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1p6r s SER 37 N -3.91 6.13 -0.89 3.42 0.01 0.18 -5.00 113.70 113.63 1p6r s SER 37 Ca 0.00 -1.18 -0.21 0.00 1.31 0.00 0.00 55.95 55.87 1p6r s SER 37 Cb 0.00 -2.17 -0.13 0.00 0.21 0.00 0.00 66.02 63.93 1p6r s SER 37 CO 0.00 -0.58 1.97 0.35 0.41 0.00 0.00 173.24 175.39 1p6r n THR 38 N 5.18 2.07 -3.93 1.44 -2.24 -1.25 -3.59 114.28 111.96 1p6r n THR 38 Ca -0.12 -1.82 -0.33 0.00 -2.27 0.00 0.00 64.05 59.51 1p6r n THR 38 Cb 0.45 -2.35 -0.05 0.00 -2.10 0.00 0.00 70.33 66.27 1p6r n THR 38 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1p6r s TRP 39 N 4.99 3.51 0.72 4.78 0.51 -1.26 -5.06 118.94 127.13 1p6r s TRP 39 Ca 0.56 0.33 -0.13 0.00 -2.12 0.00 0.00 56.10 54.75 1p6r s TRP 39 Cb 0.14 -1.81 0.03 0.00 -0.81 0.00 0.00 33.47 31.01 1p6r s TRP 39 CO 0.09 0.63 1.11 -1.54 -0.51 0.00 0.00 176.95 176.74 1p6r s SER 40 N -1.91 4.70 0.28 2.95 1.04 -1.26 -4.68 113.70 114.81 1p6r s SER 40 Ca 0.27 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.69 1p6r s SER 40 Cb -0.13 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.04 1p6r s SER 40 CO 0.18 -1.91 1.78 -0.65 0.98 0.00 0.00 173.24 173.62 1p6r h PRO 41 N -0.51 0.72 -0.17 4.02 0.11 -1.99 0.49 132.00 134.68 1p6r h PRO 41 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1p6r h PRO 41 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1p6r h PRO 41 CO 0.52 0.48 0.01 -0.22 -0.21 0.00 0.00 178.00 178.58 1p6r h LYS 42 N 0.74 0.07 0.06 1.05 1.63 -1.98 0.17 116.57 118.30 1p6r h LYS 42 Ca 0.50 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.32 1p6r h LYS 42 Cb 0.67 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1p6r h LYS 42 CO -0.34 0.04 -0.21 1.15 -3.45 0.00 0.00 179.45 176.64 1p6r h THR 43 N 0.07 0.51 -0.23 1.00 2.02 -1.42 0.71 112.91 115.57 1p6r h THR 43 Ca 0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.31 1p6r h THR 43 Cb 0.09 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1p6r h THR 43 CO -0.12 0.00 -0.17 0.40 0.37 0.00 0.00 175.52 176.00 1p6r h ILE 44 N -0.37 0.53 -1.00 3.11 1.08 -0.67 -0.24 117.51 119.94 1p6r h ILE 44 Ca 0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.59 1p6r h ILE 44 Cb 0.42 0.53 -0.07 0.00 -3.07 0.00 0.00 36.82 34.63 1p6r h ILE 44 CO -0.16 0.00 0.64 1.56 -0.69 0.00 0.00 178.15 179.51 1p6r h GLN 45 N -0.17 1.09 -0.07 2.37 4.20 -0.36 0.17 115.11 122.35 1p6r h GLN 45 Ca 0.13 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1p6r h GLN 45 Cb 0.36 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1p6r h GLN 45 CO -0.33 0.72 0.03 1.15 -0.67 0.00 0.00 178.83 179.73 1p6r h THR 46 N 1.13 1.14 -0.38 -0.54 2.02 0.31 0.13 112.91 116.72 1p6r h THR 46 Ca 0.45 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1p6r h THR 46 Cb 0.25 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1p6r h THR 46 CO -0.20 0.12 0.16 0.24 0.37 0.00 0.00 175.52 176.22 1p6r h MET 47 N -0.05 0.33 -0.27 6.66 2.86 -0.28 -0.18 114.93 124.00 1p6r h MET 47 Ca 0.02 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1p6r h MET 47 Cb 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1p6r h MET 47 CO -0.00 0.22 0.11 -0.07 1.06 0.00 0.00 176.91 178.23 1p6r h LEU 48 N 0.34 0.14 -0.29 1.22 3.38 -0.56 0.33 115.31 119.87 1p6r h LEU 48 Ca 0.17 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1p6r h LEU 48 Cb 0.11 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1p6r h LEU 48 CO -0.14 0.12 -0.01 0.25 0.09 0.00 0.00 178.44 178.74 1p6r h LEU 49 N 0.24 -0.14 0.27 1.67 6.46 -0.20 0.13 115.31 123.75 1p6r h LEU 49 Ca 0.12 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1p6r h LEU 49 Cb 0.06 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1p6r h LEU 49 CO -0.10 -0.04 -0.33 0.03 -0.62 0.00 0.00 178.44 177.39 1p6r h ARG 50 N 0.07 -0.62 -0.56 1.25 3.08 -0.62 0.15 114.38 117.12 1p6r h ARG 50 Ca 0.14 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.35 1p6r h ARG 50 Cb 0.19 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.28 1p6r h ARG 50 CO -0.24 -0.42 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.14 1p6r h LEU 51 N -0.65 -0.31 0.18 3.04 3.38 -0.33 0.23 115.31 120.86 1p6r h LEU 51 Ca -0.01 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1p6r h LEU 51 Cb 0.61 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1p6r h LEU 51 CO -0.10 -0.12 -0.09 0.40 0.09 0.00 0.00 178.44 178.63 1p6r h ILE 52 N 0.09 0.55 -0.08 1.22 2.04 -0.53 0.30 117.51 121.09 1p6r h ILE 52 Ca 0.29 -1.06 -0.21 0.00 1.00 0.00 0.00 64.86 64.87 1p6r h ILE 52 Cb 0.45 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1p6r h ILE 52 CO -0.50 0.15 -0.81 0.50 0.00 0.00 0.00 178.15 177.49 1p6r h LYS 53 N -0.97 0.58 -0.83 2.37 3.64 -0.67 -3.33 116.57 117.36 1p6r h LYS 53 Ca -0.03 -0.51 -0.14 0.00 -1.27 0.00 0.00 60.65 58.71 1p6r h LYS 53 Cb 0.44 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1p6r h LYS 53 CO 0.04 1.13 0.18 1.17 -2.27 0.00 0.00 179.45 179.70 1p6r n LYS 54 N -3.86 2.97 0.00 1.90 3.00 0.79 -4.91 118.16 118.05 1p6r n LYS 54 Ca -0.06 -2.12 0.00 0.00 -0.00 0.00 0.00 58.31 56.12 1p6r n LYS 54 Cb 0.76 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.85 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p6r n GLY 55 N 0.02 0.70 0.00 3.14 0.00 -1.25 -4.25 105.19 103.54 1p6r n GLY 55 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1p6r n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6r n ALA 56 N -1.18 0.00 -2.43 4.61 0.00 0.88 0.38 120.51 122.77 1p6r n ALA 56 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1p6r n ALA 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1p6r n ALA 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1p6r s LEU 57 N -4.78 3.55 0.12 0.00 2.96 -0.10 -0.39 118.68 120.03 1p6r s LEU 57 Ca 0.00 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1p6r s LEU 57 Cb 0.00 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1p6r s LEU 57 CO 0.00 -0.43 -0.25 0.21 -1.32 0.00 0.00 176.35 174.56 1p6r s ASN 58 N -4.03 3.06 0.15 3.68 2.47 -1.06 -4.30 114.94 114.91 1p6r s ASN 58 Ca 0.43 -0.72 0.04 0.00 0.42 0.00 0.00 52.86 53.03 1p6r s ASN 58 Cb -0.05 -0.20 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 1p6r s ASN 58 CO 0.27 0.15 0.16 -2.28 -3.72 0.00 0.00 177.10 171.67 1p6r s HIS 59 N -1.08 3.22 -0.04 0.43 5.65 -1.26 -0.49 115.29 121.72 1p6r s HIS 59 Ca 0.11 0.02 -0.08 0.00 0.25 0.00 0.00 55.06 55.36 1p6r s HIS 59 Cb -0.10 -1.55 0.01 0.00 -1.18 0.00 0.00 32.58 29.76 1p6r s HIS 59 CO 0.05 0.52 0.19 -1.58 -0.65 0.00 0.00 174.74 173.27 1p6r s HIS 60 N -1.72 -0.12 -0.69 3.88 2.46 0.67 -4.85 115.29 114.93 1p6r s HIS 60 Ca 0.32 0.26 -0.17 0.00 0.47 0.00 0.00 55.06 55.94 1p6r s HIS 60 Cb -0.10 0.03 0.15 0.00 -0.13 0.00 0.00 32.58 32.53 1p6r s HIS 60 CO 0.24 -0.21 0.71 0.21 -2.47 0.00 0.00 174.74 173.22 1p6r s LYS 61 N -0.63 3.26 -1.28 2.88 2.20 -1.26 -0.20 119.74 124.72 1p6r s LYS 61 Ca -0.07 -1.84 -0.14 0.00 -0.36 0.00 0.00 55.97 53.56 1p6r s LYS 61 Cb -0.04 -4.40 0.13 0.00 -1.51 0.00 0.00 37.83 32.01 1p6r s LYS 61 CO 0.01 -1.43 1.70 -1.91 -0.36 0.00 0.00 175.35 173.37 1p6r n GLU 62 N 5.30 3.31 0.00 4.03 4.07 0.11 -4.83 120.64 132.64 1p6r n GLU 62 Ca 0.00 -3.48 0.00 0.00 -0.06 0.00 0.00 57.16 53.62 1p6r n GLU 62 Cb 0.44 -3.17 0.00 0.00 -0.06 0.00 0.00 31.44 28.65 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p6r n GLY 63 N 4.18 0.26 0.12 8.31 0.00 -1.26 -2.08 105.19 114.72 1p6r n GLY 63 Ca 0.43 0.65 -0.23 0.00 0.00 0.00 0.00 46.02 46.86 1p6r n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1p6r n ARG 64 N 0.00 0.60 -4.07 1.61 0.63 -1.26 -4.96 116.66 109.22 1p6r n ARG 64 Ca 0.00 0.45 -0.32 0.00 -0.92 0.00 0.00 57.85 57.06 1p6r n ARG 64 Cb 0.00 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.16 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1p6r s VAL 65 N -2.43 4.70 -0.11 5.15 -7.23 -0.88 -5.10 120.40 114.51 1p6r s VAL 65 Ca -0.30 -0.55 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 1p6r s VAL 65 Cb 0.08 -3.21 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 1p6r s VAL 65 CO 0.60 0.24 0.34 0.72 -0.31 0.00 0.00 175.10 176.70 1p6r s PHE 66 N -1.30 3.55 -0.07 2.82 -0.71 -1.26 0.05 117.98 121.06 1p6r s PHE 66 Ca 0.26 0.75 0.01 0.00 -1.04 0.00 0.00 56.93 56.91 1p6r s PHE 66 Cb -0.12 -2.34 -0.03 0.00 -1.21 0.00 0.00 43.02 39.32 1p6r s PHE 66 CO 0.18 0.37 -0.07 0.08 -1.34 0.00 0.00 175.22 174.44 1p6r s VAL 67 N -0.01 3.71 -0.26 -2.49 1.01 0.72 -1.09 120.40 121.98 1p6r s VAL 67 Ca 0.20 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1p6r s VAL 67 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1p6r s VAL 67 CO 0.07 0.60 0.28 -0.31 0.00 0.00 0.00 175.10 175.74 1p6r s TYR 68 N -0.81 3.26 -0.32 5.22 2.02 -0.12 -0.24 117.35 126.35 1p6r s TYR 68 Ca 0.12 0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 1p6r s TYR 68 Cb -0.11 -2.46 -0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1p6r s TYR 68 CO 0.01 -0.15 0.30 0.95 -1.57 0.00 0.00 175.55 175.10 1p6r s THR 69 N 1.76 5.23 -0.88 -0.71 -4.23 0.36 -2.74 115.64 114.42 1p6r s THR 69 Ca 0.11 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1p6r s THR 69 Cb -0.15 -3.72 -0.11 0.00 1.34 0.00 0.00 72.50 69.85 1p6r s THR 69 CO 0.09 0.02 2.18 -2.84 -0.54 0.00 0.00 174.62 173.54 1p6r s PRO 70 N 1.90 1.96 0.56 3.99 0.02 -1.26 -2.58 135.00 139.59 1p6r s PRO 70 Ca 0.10 0.01 0.28 0.00 0.02 0.00 0.00 61.00 61.41 1p6r s PRO 70 Cb -0.17 -4.93 1.48 0.00 0.02 0.00 0.00 34.50 30.90 1p6r s PRO 70 CO 0.11 -4.14 1.97 -0.97 -0.33 0.00 0.00 177.00 173.64 1p6r h ASN 71 N 11.88 0.00 -3.35 2.53 -0.73 -1.88 -3.37 115.58 120.66 1p6r h ASN 71 Ca 0.05 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.58 1p6r h ASN 71 Cb 1.00 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 39.36 1p6r h ASN 71 CO 1.09 0.00 -0.68 0.27 -0.37 0.00 0.00 177.43 177.74 1p6r s ILE 72 N -4.81 3.74 0.92 2.57 -0.00 -1.26 -4.61 121.20 117.75 1p6r s ILE 72 Ca -0.05 -0.40 -0.12 0.00 -0.00 0.00 0.00 60.65 60.08 1p6r s ILE 72 Cb 0.18 -2.65 0.14 0.00 -0.00 0.00 0.00 42.46 40.13 1p6r s ILE 72 CO 0.64 0.47 1.10 1.51 -0.00 0.00 0.00 174.94 178.67 1p6r s ASP 73 N 0.62 3.37 0.00 4.36 -4.77 -1.26 -4.89 116.67 114.10 1p6r s ASP 73 Ca -0.03 1.28 0.00 0.00 -3.30 0.00 0.00 52.55 50.51 1p6r s ASP 73 Cb -0.14 -1.95 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 1p6r s ASP 73 CO 0.02 -2.68 0.69 -0.62 0.70 0.00 0.00 175.17 173.29 1p6r n GLU 74 N -3.89 0.00 -0.69 2.11 4.71 -1.26 -0.74 120.64 120.89 1p6r n GLU 74 Ca 0.06 0.69 -0.13 0.00 -0.01 0.00 0.00 57.16 57.77 1p6r n GLU 74 Cb 0.57 -1.05 0.09 0.00 -1.01 0.00 0.00 31.44 30.03 1p6r n GLU 74 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1p6r n SER 75 N -2.57 3.84 -0.21 1.62 7.64 -1.26 -4.26 113.62 118.42 1p6r n SER 75 Ca 0.00 -2.88 -0.07 0.00 1.01 0.00 0.00 58.87 56.93 1p6r n SER 75 Cb 0.00 -0.73 0.03 0.00 -1.01 0.00 0.00 64.21 62.50 1p6r n SER 75 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1p6r h ASP 76 N 0.66 0.75 -0.58 6.43 3.58 -1.28 -3.44 116.42 122.54 1p6r h ASP 76 Ca 0.33 -0.09 -0.62 0.00 0.42 0.00 0.00 57.03 57.08 1p6r h ASP 76 Cb 1.83 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 42.61 1p6r h ASP 76 CO 0.62 0.62 -0.41 -0.47 -2.88 0.00 0.00 179.24 176.72 1p6r s TYR 77 N -5.88 1.81 -0.60 0.28 5.04 -1.26 -5.05 117.35 111.69 1p6r s TYR 77 Ca -0.13 -0.86 -0.28 0.00 -2.44 0.00 0.00 57.07 53.36 1p6r s TYR 77 Cb 0.13 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.67 1p6r s TYR 77 CO 0.77 -0.13 1.18 0.42 -1.34 0.00 0.00 175.55 176.45 1p6r s ILE 78 N -2.80 4.02 -0.69 3.14 1.01 -1.26 -4.95 121.20 119.67 1p6r s ILE 78 Ca 0.23 0.75 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 1p6r s ILE 78 Cb -0.00 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.73 1p6r s ILE 78 CO 0.14 -1.39 1.62 -1.61 0.00 0.00 0.00 174.94 173.70 1p6r s GLU 79 N 4.95 2.88 0.48 2.79 2.02 -1.26 -4.98 118.70 125.58 1p6r s GLU 79 Ca 0.40 0.17 -0.21 0.00 0.02 0.00 0.00 54.97 55.36 1p6r s GLU 79 Cb -0.08 -4.37 -0.08 0.00 0.10 0.00 0.00 34.13 29.70 1p6r s GLU 79 CO 0.23 -2.52 1.07 0.14 0.02 0.00 0.00 175.26 174.20 1p6r s VAL 80 N 7.67 3.60 0.00 2.63 -7.23 -1.26 -4.78 120.40 121.03 1p6r s VAL 80 Ca 0.54 1.05 0.00 0.00 -1.81 0.00 0.00 61.98 61.76 1p6r s VAL 80 Cb -0.10 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1p6r s VAL 80 CO 0.16 -0.17 0.00 0.29 -0.31 0.00 0.00 175.10 175.08 1p6r n LYS 81 N -0.85 0.00 0.00 4.82 5.02 -1.26 -5.09 118.16 120.81 1p6r n LYS 81 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1p6r n LYS 81 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31