#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 0.50 -6.65 0.03 3.64 -1.97 -3.38 116.57 108.73 1p6r h LYS 2 Ca 0.00 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.83 1p6r h LYS 2 Cb 0.00 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1p6r h LYS 2 CO 0.00 0.33 0.57 0.15 -2.27 0.00 0.00 179.45 178.22 1p6r s LYS 3 N -6.15 4.48 0.49 1.90 3.01 -1.26 -5.00 119.74 117.21 1p6r s LYS 3 Ca -0.13 1.88 -0.23 0.00 -1.01 0.00 0.00 55.97 56.48 1p6r s LYS 3 Cb 0.12 -3.25 -0.07 0.00 -1.01 0.00 0.00 37.83 33.62 1p6r s LYS 3 CO 0.73 -0.11 1.26 0.44 0.51 0.00 0.00 175.35 178.18 1p6r n ILE 4 N 2.64 3.14 -1.67 2.17 -5.35 -1.26 -4.82 119.36 114.21 1p6r n ILE 4 Ca 0.05 -0.50 -0.45 0.00 -0.27 0.00 0.00 62.75 61.58 1p6r n ILE 4 Cb 0.45 -1.55 -0.04 0.00 -1.74 0.00 0.00 39.64 36.76 1p6r n ILE 4 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1p6r n PRO 5 N -0.46 2.55 -1.97 6.28 -0.04 -1.26 -4.70 135.00 135.40 1p6r n PRO 5 Ca 0.09 0.93 -0.37 0.00 -0.04 0.00 0.00 63.50 64.11 1p6r n PRO 5 Cb 0.42 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 1p6r n PRO 5 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1p6r n GLN 6 N 6.81 2.11 -2.82 0.54 3.00 -1.26 -4.83 117.38 120.93 1p6r n GLN 6 Ca 0.21 -2.56 -0.34 0.00 -0.01 0.00 0.00 57.00 54.30 1p6r n GLN 6 Cb 0.35 -3.45 -0.07 0.00 0.00 0.00 0.00 30.24 27.07 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1p6r s ILE 7 N 7.23 4.35 0.20 5.09 -1.09 -1.26 -5.09 121.20 130.63 1p6r s ILE 7 Ca 0.60 1.56 0.07 0.00 -2.23 0.00 0.00 60.65 60.65 1p6r s ILE 7 Cb 0.05 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1p6r s ILE 7 CO 0.10 -0.20 0.11 -0.44 -1.23 0.00 0.00 174.94 173.27 1p6r s SER 8 N -2.04 5.24 0.19 3.58 0.01 -1.26 -4.95 113.70 114.47 1p6r s SER 8 Ca 0.59 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 57.40 1p6r s SER 8 Cb -0.11 -1.27 0.17 0.00 0.21 0.00 0.00 66.02 65.02 1p6r s SER 8 CO 0.16 0.04 1.62 -0.78 0.41 0.00 0.00 173.24 174.69 1p6r h ASP 9 N 2.18 -0.71 0.15 2.44 3.58 -1.98 0.17 116.42 122.24 1p6r h ASP 9 Ca -0.47 0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1p6r h ASP 9 Cb 1.22 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 42.68 1p6r h ASP 9 CO 0.61 -0.23 -0.01 0.00 -2.88 0.00 0.00 179.24 176.73 1p6r h ALA 10 N 1.37 1.06 0.00 -0.78 0.00 -2.01 -0.03 119.26 118.87 1p6r h ALA 10 Ca 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1p6r h ALA 10 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1p6r h ALA 10 CO -0.60 0.01 -0.62 0.93 0.00 0.00 0.00 179.25 178.96 1p6r h GLU 11 N 0.00 0.00 -0.93 0.00 5.08 -1.25 -3.39 114.58 114.09 1p6r h GLU 11 Ca -0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 1p6r h GLU 11 Cb 0.08 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.22 1p6r h GLU 11 CO 0.00 0.70 0.49 1.25 -1.00 0.00 0.00 179.01 180.45 1p6r h LEU 12 N -1.00 0.53 -1.42 1.33 5.85 -0.06 0.27 115.31 120.81 1p6r h LEU 12 Ca -0.15 0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.85 1p6r h LEU 12 Cb 0.92 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1p6r h LEU 12 CO -0.09 0.11 0.55 1.05 -0.34 0.00 0.00 178.44 179.72 1p6r h GLU 13 N 0.55 0.53 0.21 1.25 4.11 -1.21 -0.28 114.58 119.73 1p6r h GLU 13 Ca 0.57 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 59.64 1p6r h GLU 13 Cb 1.00 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.16 1p6r h GLU 13 CO -0.46 0.35 -1.49 -0.39 0.07 0.00 0.00 179.01 177.09 1p6r h VAL 14 N 0.55 1.25 -0.92 -1.06 -1.51 -1.17 -3.17 116.25 110.22 1p6r h VAL 14 Ca 0.42 -2.75 0.13 0.00 -1.23 0.00 0.00 66.70 63.28 1p6r h VAL 14 Cb 0.83 2.95 -0.09 0.00 -2.13 0.00 0.00 31.29 32.85 1p6r h VAL 14 CO -0.17 0.84 0.53 0.24 -1.23 0.00 0.00 177.57 177.78 1p6r h MET 15 N 0.12 0.78 -0.06 5.19 2.86 -0.50 -0.93 114.93 122.39 1p6r h MET 15 Ca -0.25 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1p6r h MET 15 Cb 2.11 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 33.55 1p6r h MET 15 CO 0.23 0.51 -0.19 -0.22 1.06 0.00 0.00 176.91 178.31 1p6r h LYS 16 N 0.80 -0.27 -0.80 1.72 1.63 -1.08 0.28 116.57 118.85 1p6r h LYS 16 Ca 0.48 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.42 1p6r h LYS 16 Cb 0.57 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 32.18 1p6r h LYS 16 CO -0.31 -0.18 0.41 0.28 -3.45 0.00 0.00 179.45 176.21 1p6r h VAL 17 N -0.28 0.79 0.38 2.00 2.07 -1.30 -1.11 116.25 118.80 1p6r h VAL 17 Ca 0.07 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1p6r h VAL 17 Cb 0.38 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1p6r h VAL 17 CO -0.22 0.12 -0.18 0.40 0.02 0.00 0.00 177.57 177.71 1p6r h ILE 18 N 0.64 0.50 -0.78 4.57 2.04 -0.16 -3.06 117.51 121.27 1p6r h ILE 18 Ca 0.42 -0.61 0.20 0.00 1.00 0.00 0.00 64.86 65.87 1p6r h ILE 18 Cb 0.52 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1p6r h ILE 18 CO -0.32 0.09 0.54 -0.50 0.00 0.00 0.00 178.15 177.97 1p6r h TRP 19 N -0.92 0.19 0.00 1.37 6.55 -0.25 0.23 115.95 123.12 1p6r h TRP 19 Ca -0.05 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1p6r h TRP 19 Cb 0.54 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 1p6r h TRP 19 CO 0.02 0.06 0.00 -0.22 -1.05 0.00 0.00 178.44 177.25 1p6r h LYS 20 N 0.15 0.00 0.00 0.49 1.63 -1.10 -3.46 116.57 114.28 1p6r h LYS 20 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1p6r h LYS 20 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1p6r h LYS 20 CO -0.06 0.00 0.00 -2.39 -3.45 0.00 0.00 179.45 173.55 1p6r n HIS 21 N -2.87 -3.02 -0.07 1.91 1.44 0.07 -5.07 115.22 107.61 1p6r n HIS 21 Ca -0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 1p6r n HIS 21 Cb 0.22 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.31 1p6r n HIS 21 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1p6r n SER 22 N -2.40 1.60 -0.18 4.39 3.41 -1.26 -5.05 113.62 114.12 1p6r n SER 22 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1p6r n SER 22 Cb 0.00 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1p6r n SER 22 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1p6r n SER 23 N -4.14 0.74 -3.64 4.04 2.88 -1.26 -4.97 113.62 107.27 1p6r n SER 23 Ca -0.11 -0.13 -0.16 0.00 -1.33 0.00 0.00 58.87 57.14 1p6r n SER 23 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 1p6r n SER 23 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1p6r s ILE 24 N -0.44 0.02 0.34 2.46 2.07 -1.17 -5.01 121.20 119.47 1p6r s ILE 24 Ca 0.00 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1p6r s ILE 24 Cb 0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 1p6r s ILE 24 CO 0.00 -0.10 0.53 0.54 -1.91 0.00 0.00 174.94 174.00 1p6r s ASN 25 N -1.05 6.23 0.16 4.50 2.20 -1.26 -0.77 114.94 124.96 1p6r s ASN 25 Ca -0.11 0.36 -0.21 0.00 -0.94 0.00 0.00 52.86 51.96 1p6r s ASN 25 Cb -0.03 -1.92 0.07 0.00 -2.00 0.00 0.00 41.25 37.37 1p6r s ASN 25 CO 0.06 -0.32 1.63 0.74 -2.94 0.00 0.00 177.10 176.28 1p6r h THR 26 N 0.77 0.39 -0.12 0.54 2.02 -1.27 -0.13 112.91 115.12 1p6r h THR 26 Ca -0.49 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.73 1p6r h THR 26 Cb 1.23 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1p6r h THR 26 CO 0.60 0.00 -0.24 -1.13 0.37 0.00 0.00 175.52 175.12 1p6r h ASN 27 N -0.19 -0.75 -0.87 4.18 -0.73 -1.96 0.77 115.58 116.03 1p6r h ASN 27 Ca 0.17 0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.51 1p6r h ASN 27 Cb 0.45 0.33 -0.06 0.00 0.27 0.00 0.00 38.32 39.32 1p6r h ASN 27 CO -0.45 -0.30 0.55 -0.33 -0.37 0.00 0.00 177.43 176.53 1p6r h GLU 28 N -0.32 0.99 -0.15 6.67 4.39 -1.87 0.42 114.58 124.72 1p6r h GLU 28 Ca 0.10 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.77 1p6r h GLU 28 Cb 0.46 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1p6r h GLU 28 CO -0.30 0.66 -0.07 -0.24 -1.16 0.00 0.00 179.01 177.90 1p6r h VAL 29 N 1.02 0.76 -0.29 3.13 3.04 0.40 0.79 116.25 125.11 1p6r h VAL 29 Ca 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 1p6r h VAL 29 Cb 0.10 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 1p6r h VAL 29 CO -0.15 0.00 0.19 0.40 -1.01 0.00 0.00 177.57 177.00 1p6r h ILE 30 N -0.06 1.07 -0.05 3.17 2.04 0.06 0.56 117.51 124.30 1p6r h ILE 30 Ca 0.08 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1p6r h ILE 30 Cb 0.18 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1p6r h ILE 30 CO -0.19 0.07 -0.27 0.11 0.00 0.00 0.00 178.15 177.87 1p6r h LYS 31 N 0.39 -0.37 0.38 2.37 1.79 -0.52 0.03 116.57 120.64 1p6r h LYS 31 Ca 0.11 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1p6r h LYS 31 Cb -0.04 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1p6r h LYS 31 CO -0.03 -0.25 -0.18 0.93 -1.08 0.00 0.00 179.45 178.84 1p6r h GLU 32 N -0.39 -0.50 -0.79 3.15 3.07 -0.60 -3.03 114.58 115.49 1p6r h GLU 32 Ca 0.08 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.08 1p6r h GLU 32 Cb 0.50 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.44 1p6r h GLU 32 CO -0.27 -0.27 0.42 -0.07 -1.40 0.00 0.00 179.01 177.42 1p6r h LEU 33 N -0.62 0.56 -1.42 1.33 4.07 -0.76 0.63 115.31 119.09 1p6r h LEU 33 Ca -0.05 0.06 0.19 0.00 0.08 0.00 0.00 57.88 58.16 1p6r h LEU 33 Cb 0.46 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 1p6r h LEU 33 CO 0.09 0.30 0.59 0.28 -1.08 0.00 0.00 178.44 178.61 1p6r h SER 34 N 0.68 0.49 -0.17 -0.43 0.02 -0.87 0.72 113.55 113.98 1p6r h SER 34 Ca 0.40 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 1p6r h SER 34 Cb 0.44 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1p6r h SER 34 CO -0.29 0.21 -0.03 0.11 -1.14 0.00 0.00 176.83 175.69 1p6r h LYS 35 N 0.50 0.33 -0.04 3.45 1.57 -0.76 -2.91 116.57 118.70 1p6r h LYS 35 Ca 0.47 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1p6r h LYS 35 Cb 1.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1p6r h LYS 35 CO -0.20 0.59 0.01 1.79 -0.57 0.00 0.00 179.45 181.07 1p6r h THR 36 N 0.04 1.20 -2.93 -0.16 1.35 -0.84 -3.43 112.91 108.14 1p6r h THR 36 Ca 0.04 -0.60 -0.23 0.00 -0.55 0.00 0.00 66.41 65.08 1p6r h THR 36 Cb 0.46 1.52 -0.33 0.00 -1.73 0.00 0.00 68.15 68.08 1p6r h THR 36 CO 0.02 0.16 -0.54 -0.44 -0.25 0.00 0.00 175.52 174.47 1p6r s SER 37 N -5.50 0.31 -1.12 5.36 0.01 0.10 -5.07 113.70 107.78 1p6r s SER 37 Ca -0.14 0.54 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 1p6r s SER 37 Cb 0.04 0.58 -0.07 0.00 0.21 0.00 0.00 66.02 66.78 1p6r s SER 37 CO 0.68 -0.23 2.28 0.35 0.41 0.00 0.00 173.24 176.73 1p6r n THR 38 N 5.14 2.86 -2.83 1.44 -2.24 -1.10 -3.84 114.28 113.71 1p6r n THR 38 Ca -0.09 -1.94 -0.28 0.00 -2.27 0.00 0.00 64.05 59.46 1p6r n THR 38 Cb 0.50 -2.34 -0.02 0.00 -2.10 0.00 0.00 70.33 66.37 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 3.45 3.52 0.60 4.78 0.51 -1.26 -5.07 118.94 125.46 1p6r s TRP 39 Ca 0.51 0.86 -0.19 0.00 -2.12 0.00 0.00 56.10 55.16 1p6r s TRP 39 Cb 0.13 -2.31 -0.03 0.00 -0.81 0.00 0.00 33.47 30.44 1p6r s TRP 39 CO -0.01 -0.14 1.22 -1.12 -0.51 0.00 0.00 176.95 176.38 1p6r s SER 40 N -3.63 5.15 0.31 2.95 0.01 -1.26 -4.72 113.70 112.50 1p6r s SER 40 Ca 0.48 2.42 0.07 0.00 1.31 0.00 0.00 55.95 60.23 1p6r s SER 40 Cb -0.10 -2.60 0.83 0.00 0.21 0.00 0.00 66.02 64.35 1p6r s SER 40 CO 0.38 -1.63 1.70 -0.65 0.41 0.00 0.00 173.24 173.45 1p6r h PRO 41 N 0.88 0.44 -0.24 12.44 0.11 -1.97 0.10 132.00 143.76 1p6r h PRO 41 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1p6r h PRO 41 Cb 1.30 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1p6r h PRO 41 CO 0.55 0.29 0.10 0.87 -0.21 0.00 0.00 178.00 179.60 1p6r h LYS 42 N 0.45 0.36 -0.67 1.05 1.79 -1.99 0.70 116.57 118.26 1p6r h LYS 42 Ca 0.61 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 59.06 1p6r h LYS 42 Cb 1.19 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.74 1p6r h LYS 42 CO -0.52 0.39 0.40 1.15 -1.08 0.00 0.00 179.45 179.79 1p6r h THR 43 N 0.24 1.04 0.55 -0.16 2.02 -1.39 0.10 112.91 115.31 1p6r h THR 43 Ca 0.08 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1p6r h THR 43 Cb 0.16 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1p6r h THR 43 CO -0.01 0.14 -0.37 0.40 0.37 0.00 0.00 175.52 176.05 1p6r h ILE 44 N 0.77 0.24 -0.79 3.11 2.04 -0.58 -2.54 117.51 119.77 1p6r h ILE 44 Ca 0.28 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.30 1p6r h ILE 44 Cb 0.09 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1p6r h ILE 44 CO -0.14 0.00 0.53 1.56 0.00 0.00 0.00 178.15 180.10 1p6r h GLN 45 N -0.88 0.41 -0.95 2.37 1.08 -0.36 0.28 115.11 117.06 1p6r h GLN 45 Ca -0.06 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1p6r h GLN 45 Cb 0.73 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.99 1p6r h GLN 45 CO 0.04 0.27 0.58 1.15 -0.95 0.00 0.00 178.83 179.93 1p6r h THR 46 N 0.43 0.91 0.68 -0.54 2.02 -0.38 0.85 112.91 116.87 1p6r h THR 46 Ca 0.40 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1p6r h THR 46 Cb 0.91 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1p6r h THR 46 CO -0.13 0.17 -0.34 0.24 0.37 0.00 0.00 175.52 175.83 1p6r h MET 47 N 0.93 -0.89 -0.70 6.66 2.86 -0.25 -0.12 114.93 123.41 1p6r h MET 47 Ca 0.47 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.30 1p6r h MET 47 Cb 0.45 0.20 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 1p6r h MET 47 CO -0.26 -0.60 0.26 -0.07 1.06 0.00 0.00 176.91 177.30 1p6r h LEU 48 N -0.93 0.23 -0.07 1.22 -0.00 -1.31 0.02 115.31 114.46 1p6r h LEU 48 Ca -0.09 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 57.93 1p6r h LEU 48 Cb 0.72 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.43 1p6r h LEU 48 CO 0.14 0.10 -0.15 0.25 -0.00 0.00 0.00 178.44 178.78 1p6r h LEU 49 N 0.41 -0.44 -0.14 1.67 7.12 -0.55 0.78 115.31 124.15 1p6r h LEU 49 Ca 0.38 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.50 1p6r h LEU 49 Cb 0.55 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 1p6r h LEU 49 CO -0.39 -0.20 -0.12 0.03 -0.13 0.00 0.00 178.44 177.64 1p6r h ARG 50 N -0.21 -0.13 -0.59 1.25 3.08 0.01 0.50 114.38 118.30 1p6r h ARG 50 Ca 0.07 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1p6r h ARG 50 Cb 0.31 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1p6r h ARG 50 CO -0.20 -0.09 0.21 -0.07 -1.07 0.00 0.00 179.97 178.75 1p6r h LEU 51 N -0.13 0.19 0.07 3.04 3.38 -0.60 -0.04 115.31 121.21 1p6r h LEU 51 Ca 0.09 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1p6r h LEU 51 Cb 0.27 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1p6r h LEU 51 CO -0.22 0.11 -0.03 0.40 0.09 0.00 0.00 178.44 178.79 1p6r h ILE 52 N 0.38 1.01 -0.78 1.22 2.04 -0.38 0.97 117.51 121.98 1p6r h ILE 52 Ca 0.30 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.98 1p6r h ILE 52 Cb 0.38 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 1p6r h ILE 52 CO -0.31 0.07 0.41 0.11 0.00 0.00 0.00 178.15 178.43 1p6r h LYS 53 N -0.22 0.66 0.00 2.37 1.57 -0.25 0.11 116.57 120.81 1p6r h LYS 53 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1p6r h LYS 53 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1p6r h LYS 53 CO 0.02 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1p6r n LYS 54 N -4.82 0.79 -2.20 3.15 5.02 -0.09 -4.87 118.16 115.15 1p6r n LYS 54 Ca 0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 1p6r n LYS 54 Cb 0.30 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6r n GLY 55 N 0.57 -0.08 0.13 0.72 0.00 0.38 -0.29 105.19 106.62 1p6r n GLY 55 Ca 0.18 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1p6r n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6r h ALA 56 N 0.56 0.15 -4.12 4.61 0.00 -1.00 -3.38 119.26 116.08 1p6r h ALA 56 Ca -0.29 -1.06 -0.62 0.00 0.00 0.00 0.00 54.91 52.94 1p6r h ALA 56 Cb 1.20 0.44 -0.26 0.00 0.00 0.00 0.00 17.79 19.17 1p6r h ALA 56 CO 0.35 0.81 -0.85 -0.51 0.00 0.00 0.00 179.25 179.04 1p6r s LEU 57 N -7.55 2.17 -0.00 0.00 1.02 -1.16 -0.47 118.68 112.69 1p6r s LEU 57 Ca -0.19 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.43 1p6r s LEU 57 Cb 0.04 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1p6r s LEU 57 CO 0.78 0.19 -0.01 0.21 0.02 0.00 0.00 176.35 177.54 1p6r s ASN 58 N -1.23 5.06 0.12 2.29 2.47 0.23 -4.20 114.94 119.69 1p6r s ASN 58 Ca 0.09 -0.03 0.04 0.00 0.42 0.00 0.00 52.86 53.38 1p6r s ASN 58 Cb -0.09 -1.31 -0.04 0.00 -1.45 0.00 0.00 41.25 38.36 1p6r s ASN 58 CO 0.02 0.28 -0.09 -1.38 -3.72 0.00 0.00 177.10 172.21 1p6r s HIS 59 N -1.08 1.12 -0.02 0.43 -3.43 -1.26 -0.07 115.29 110.98 1p6r s HIS 59 Ca 0.19 -0.79 -0.04 0.00 -0.80 0.00 0.00 55.06 53.62 1p6r s HIS 59 Cb -0.11 -0.60 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 1p6r s HIS 59 CO 0.10 0.00 0.10 -1.58 -2.00 0.00 0.00 174.74 171.36 1p6r s HIS 60 N -3.28 -0.02 -0.74 0.38 2.46 -0.17 -4.99 115.29 108.91 1p6r s HIS 60 Ca 0.14 0.07 -0.24 0.00 0.47 0.00 0.00 55.06 55.49 1p6r s HIS 60 Cb 0.03 -0.01 0.06 0.00 -0.13 0.00 0.00 32.58 32.52 1p6r s HIS 60 CO -0.01 -0.14 1.13 0.21 -2.47 0.00 0.00 174.74 173.46 1p6r s LYS 61 N -0.55 3.22 -1.27 2.88 2.47 -1.26 0.04 119.74 125.27 1p6r s LYS 61 Ca -0.06 -0.74 -0.14 0.00 -1.56 0.00 0.00 55.97 53.47 1p6r s LYS 61 Cb -0.04 -4.37 0.13 0.00 -1.46 0.00 0.00 37.83 32.10 1p6r s LYS 61 CO 0.00 -1.96 1.67 -1.91 0.16 0.00 0.00 175.35 173.31 1p6r n GLU 62 N 8.29 3.33 0.00 4.03 4.07 0.17 -4.80 120.64 135.72 1p6r n GLU 62 Ca 0.04 -3.53 0.00 0.00 -0.06 0.00 0.00 57.16 53.61 1p6r n GLU 62 Cb 0.47 -3.15 0.00 0.00 -0.06 0.00 0.00 31.44 28.70 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 4.14 0.34 0.11 8.31 0.00 -1.26 -3.21 105.19 113.62 1p6r n GLY 63 Ca 0.42 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 0.53 -4.03 1.61 0.63 -1.26 -5.02 116.66 109.12 1p6r n ARG 64 Ca 0.00 0.22 -0.26 0.00 -0.92 0.00 0.00 57.85 56.88 1p6r n ARG 64 Cb 0.00 -1.43 -0.05 0.00 0.45 0.00 0.00 32.46 31.43 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 -2.82 4.78 -0.15 5.15 -7.23 -1.20 -5.10 120.40 113.84 1p6r s VAL 65 Ca -0.31 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.82 1p6r s VAL 65 Cb 0.06 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 1p6r s VAL 65 CO 0.44 -0.09 0.26 0.72 -0.31 0.00 0.00 175.10 176.12 1p6r s PHE 66 N -1.73 3.49 -0.01 2.82 -0.71 -1.26 -0.66 117.98 119.92 1p6r s PHE 66 Ca 0.32 0.58 -0.16 0.00 -1.04 0.00 0.00 56.93 56.63 1p6r s PHE 66 Cb -0.11 -2.26 -0.06 0.00 -1.21 0.00 0.00 43.02 39.39 1p6r s PHE 66 CO 0.25 0.34 0.45 0.08 -1.34 0.00 0.00 175.22 174.99 1p6r s VAL 67 N 0.15 5.02 -0.08 -2.49 1.01 0.11 -0.74 120.40 123.37 1p6r s VAL 67 Ca 0.16 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 1p6r s VAL 67 Cb -0.13 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1p6r s VAL 67 CO 0.04 0.52 -0.04 -0.31 0.00 0.00 0.00 175.10 175.31 1p6r s TYR 68 N -0.72 3.02 -0.05 5.22 2.02 0.05 -1.00 117.35 125.88 1p6r s TYR 68 Ca 0.25 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.01 1p6r s TYR 68 Cb -0.17 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1p6r s TYR 68 CO 0.13 0.35 -0.03 0.95 -1.57 0.00 0.00 175.55 175.39 1p6r s THR 69 N -0.76 0.51 -0.21 -0.71 -4.23 0.89 -3.05 115.64 108.09 1p6r s THR 69 Ca 0.12 -0.07 -0.34 0.00 -1.18 0.00 0.00 61.69 60.22 1p6r s THR 69 Cb -0.11 -0.56 -0.11 0.00 1.34 0.00 0.00 72.50 73.05 1p6r s THR 69 CO 0.02 0.24 2.02 -2.65 -0.54 0.00 0.00 174.62 173.70 1p6r n PRO 70 N 4.33 1.70 0.08 3.99 -0.02 -1.26 -0.60 135.00 143.23 1p6r n PRO 70 Ca -0.20 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1p6r n PRO 70 Cb 0.51 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 1p6r n PRO 70 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1p6r h ASN 71 N 10.91 0.00 -3.76 2.55 -0.00 -1.09 -3.45 115.58 120.74 1p6r h ASN 71 Ca -0.40 0.00 -0.68 0.00 -0.00 0.00 0.00 56.30 55.21 1p6r h ASN 71 Cb 1.29 0.00 -0.21 0.00 -0.00 0.00 0.00 38.32 39.40 1p6r h ASN 71 CO 0.97 0.85 -0.72 0.27 -0.00 0.00 0.00 177.43 178.81 1p6r s ILE 72 N -2.78 3.48 0.21 2.57 -5.25 -1.11 -5.01 121.20 113.30 1p6r s ILE 72 Ca 0.02 -0.56 -0.16 0.00 -0.99 0.00 0.00 60.65 58.96 1p6r s ILE 72 Cb 0.09 -2.41 0.02 0.00 2.95 0.00 0.00 42.46 43.11 1p6r s ILE 72 CO 0.80 0.59 0.50 -0.62 -1.79 0.00 0.00 174.94 174.42 1p6r s ASP 73 N -0.70 -0.19 0.00 4.36 2.15 -1.26 -4.90 116.67 116.14 1p6r s ASP 73 Ca 0.11 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.45 1p6r s ASP 73 Cb -0.11 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 1p6r s ASP 73 CO 0.01 -1.08 0.00 -0.62 -0.17 0.00 0.00 175.17 173.31 1p6r n GLU 74 N -0.34 0.00 -1.29 4.34 -0.58 -1.26 -4.13 120.64 117.38 1p6r n GLU 74 Ca -0.07 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.29 1p6r n GLU 74 Cb 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.46 1p6r n GLU 74 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1p6r n SER 75 N 0.70 7.92 -0.02 1.62 7.64 -1.26 -4.75 113.62 125.47 1p6r n SER 75 Ca 0.00 -2.57 -0.13 0.00 1.01 0.00 0.00 58.87 57.18 1p6r n SER 75 Cb 0.00 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.61 1p6r n SER 75 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1p6r h ASP 76 N 5.24 -1.41 -1.36 6.43 5.19 -1.91 -3.43 116.42 125.17 1p6r h ASP 76 Ca 0.81 0.19 0.11 0.00 -0.62 0.00 0.00 57.03 57.52 1p6r h ASP 76 Cb 0.30 0.58 -0.21 0.00 0.18 0.00 0.00 39.33 40.18 1p6r h ASP 76 CO 1.77 -0.43 -0.10 -0.47 -3.12 0.00 0.00 179.24 176.89 1p6r s TYR 77 N -5.85 -1.26 -0.09 4.55 5.04 -1.26 -4.87 117.35 113.61 1p6r s TYR 77 Ca -0.15 1.79 0.03 0.00 -2.44 0.00 0.00 57.07 56.30 1p6r s TYR 77 Cb 0.09 0.61 0.01 0.00 0.35 0.00 0.00 41.96 43.02 1p6r s TYR 77 CO 0.64 -0.65 -0.19 0.42 -1.34 0.00 0.00 175.55 174.43 1p6r s ILE 78 N 2.82 1.70 -0.72 3.14 -1.09 -1.26 -5.08 121.20 120.71 1p6r s ILE 78 Ca 0.04 -0.80 -0.26 0.00 -2.23 0.00 0.00 60.65 57.40 1p6r s ILE 78 Cb -0.12 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 1p6r s ILE 78 CO -0.19 0.48 1.60 -0.70 -1.23 0.00 0.00 174.94 174.90 1p6r s GLU 79 N 0.58 2.92 -0.03 2.79 2.56 -1.26 -4.89 118.70 121.38 1p6r s GLU 79 Ca -0.15 0.06 -0.30 0.00 0.00 0.00 0.00 54.97 54.58 1p6r s GLU 79 Cb -0.17 -4.42 -0.04 0.00 2.00 0.00 0.00 34.13 31.50 1p6r s GLU 79 CO 0.05 -2.50 1.24 0.54 -0.56 0.00 0.00 175.26 174.03 1p6r s VAL 80 N 7.47 4.11 -1.01 3.70 0.11 -1.26 -4.93 120.40 128.59 1p6r s VAL 80 Ca 0.52 1.46 -0.06 0.00 -2.93 0.00 0.00 61.98 60.97 1p6r s VAL 80 Cb -0.09 -3.94 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1p6r s VAL 80 CO 0.14 0.01 2.69 0.29 -3.33 0.00 0.00 175.10 174.91 1p6r n LYS 81 N 5.09 3.64 0.00 1.54 4.76 -1.26 -4.91 118.16 127.02 1p6r n LYS 81 Ca 0.11 -2.74 0.00 0.00 -2.87 0.00 0.00 58.31 52.81 1p6r n LYS 81 Cb 0.46 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.18 1p6r n LYS 81 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48