#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r s LYS 2 N 0.00 -0.95 -0.89 0.03 -2.85 -1.26 -4.31 119.74 109.51 1p6r s LYS 2 Ca 0.00 0.13 -0.25 0.00 -1.00 0.00 0.00 55.97 54.86 1p6r s LYS 2 Cb 0.00 -1.61 -0.03 0.00 -2.06 0.00 0.00 37.83 34.13 1p6r s LYS 2 CO 0.00 -3.57 1.86 0.15 0.10 0.00 0.00 175.35 173.89 1p6r s LYS 3 N -5.22 2.71 -0.46 1.78 1.02 -1.26 -3.77 119.74 114.53 1p6r s LYS 3 Ca 0.69 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 56.43 1p6r s LYS 3 Cb -0.13 -5.03 0.22 0.00 -0.52 0.00 0.00 37.83 32.37 1p6r s LYS 3 CO 0.57 -3.15 0.68 1.51 -0.92 0.00 0.00 175.35 174.04 1p6r n ILE 4 N 7.67 -0.35 -1.91 2.17 3.06 -0.01 -4.87 119.36 125.12 1p6r n ILE 4 Ca 0.37 -2.24 -0.39 0.00 -2.50 0.00 0.00 62.75 58.00 1p6r n ILE 4 Cb 0.48 0.11 0.02 0.00 0.54 0.00 0.00 39.64 40.79 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1p6r s PRO 5 N 0.22 3.47 -0.48 9.51 0.02 -1.22 -4.85 135.00 141.67 1p6r s PRO 5 Ca 0.32 2.17 0.03 0.00 0.02 0.00 0.00 61.00 63.54 1p6r s PRO 5 Cb 0.13 -2.43 0.15 0.00 0.02 0.00 0.00 34.50 32.37 1p6r s PRO 5 CO -0.16 -0.90 0.31 -0.65 -0.33 0.00 0.00 177.00 175.26 1p6r s GLN 6 N -2.69 1.38 -0.19 5.54 -1.52 -1.26 -4.29 119.66 116.62 1p6r s GLN 6 Ca 0.66 -2.23 -0.18 0.00 -1.95 0.00 0.00 55.36 51.65 1p6r s GLN 6 Cb -0.38 -2.28 -0.03 0.00 -0.22 0.00 0.00 33.01 30.10 1p6r s GLN 6 CO 0.47 -1.24 0.51 0.42 -0.25 0.00 0.00 175.29 175.20 1p6r s ILE 7 N 0.00 5.12 0.43 1.08 -1.09 -1.26 -5.06 121.20 120.42 1p6r s ILE 7 Ca 0.22 0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1p6r s ILE 7 Cb -0.15 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1p6r s ILE 7 CO -0.07 0.19 0.69 -0.44 -1.23 0.00 0.00 174.94 174.08 1p6r s SER 8 N 1.12 6.23 0.16 3.58 0.01 -1.26 -4.87 113.70 118.67 1p6r s SER 8 Ca 0.24 0.71 -0.23 0.00 1.31 0.00 0.00 55.95 57.98 1p6r s SER 8 Cb -0.15 -2.11 0.05 0.00 0.21 0.00 0.00 66.02 64.02 1p6r s SER 8 CO 0.10 -0.49 1.60 -0.78 0.41 0.00 0.00 173.24 174.08 1p6r h ASP 9 N 0.42 -1.05 -0.89 2.44 3.58 -1.99 0.11 116.42 119.04 1p6r h ASP 9 Ca -0.48 0.18 0.13 0.00 0.42 0.00 0.00 57.03 57.28 1p6r h ASP 9 Cb 1.21 0.49 -0.09 0.00 1.72 0.00 0.00 39.33 42.67 1p6r h ASP 9 CO 0.61 -0.32 0.51 0.00 -2.88 0.00 0.00 179.24 177.17 1p6r h ALA 10 N 0.75 1.34 -0.07 -0.78 0.00 -2.00 -0.34 119.26 118.15 1p6r h ALA 10 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1p6r h ALA 10 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1p6r h ALA 10 CO -0.52 0.05 0.02 0.93 0.00 0.00 0.00 179.25 179.73 1p6r h GLU 11 N 0.78 0.12 -0.64 0.00 5.08 -1.53 -3.12 114.58 115.27 1p6r h GLU 11 Ca 0.46 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.91 1p6r h GLU 11 Cb 0.55 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1p6r h GLU 11 CO -0.31 0.30 0.19 1.25 -1.00 0.00 0.00 179.01 179.44 1p6r h LEU 12 N -0.08 0.10 -0.68 1.33 6.46 0.76 -0.33 115.31 122.87 1p6r h LEU 12 Ca 0.02 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 58.04 1p6r h LEU 12 Cb 0.23 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 40.18 1p6r h LEU 12 CO -0.00 0.05 0.06 -0.33 -0.62 0.00 0.00 178.44 177.60 1p6r h GLU 13 N 0.33 0.16 0.23 1.25 4.39 -1.15 0.88 114.58 120.67 1p6r h GLU 13 Ca 0.34 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 1p6r h GLU 13 Cb 0.50 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1p6r h GLU 13 CO -0.39 0.11 -0.18 0.28 -1.16 0.00 0.00 179.01 177.67 1p6r h VAL 14 N 0.16 0.62 -0.20 3.13 2.07 -1.06 0.01 116.25 120.98 1p6r h VAL 14 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.94 1p6r h VAL 14 Cb 0.61 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1p6r h VAL 14 CO -0.54 0.00 -0.25 0.24 0.02 0.00 0.00 177.57 177.04 1p6r h MET 15 N -0.41 -0.27 -0.38 1.57 2.86 -0.45 0.27 114.93 118.12 1p6r h MET 15 Ca -0.01 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1p6r h MET 15 Cb 0.37 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 1p6r h MET 15 CO -0.01 -0.18 0.00 -0.22 1.06 0.00 0.00 176.91 177.57 1p6r h LYS 16 N -0.28 0.11 0.27 1.72 3.64 -0.72 0.25 116.57 121.56 1p6r h LYS 16 Ca 0.12 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1p6r h LYS 16 Cb 0.47 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1p6r h LYS 16 CO -0.36 0.07 -0.34 0.28 -2.27 0.00 0.00 179.45 176.83 1p6r h VAL 17 N 0.11 0.29 -0.50 2.00 2.07 -0.18 -2.69 116.25 117.35 1p6r h VAL 17 Ca 0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1p6r h VAL 17 Cb 0.26 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1p6r h VAL 17 CO -0.31 0.00 0.05 0.40 0.02 0.00 0.00 177.57 177.74 1p6r h ILE 18 N -0.66 0.67 0.00 4.57 2.04 -0.38 -1.23 117.51 122.52 1p6r h ILE 18 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1p6r h ILE 18 Cb 0.63 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1p6r h ILE 18 CO -0.11 0.03 0.07 -0.50 0.00 0.00 0.00 178.15 177.64 1p6r h TRP 19 N 0.18 0.00 0.00 1.37 6.55 -0.22 0.54 115.95 124.36 1p6r h TRP 19 Ca 0.25 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.94 1p6r h TRP 19 Cb 0.36 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.64 1p6r h TRP 19 CO -0.26 0.00 -0.71 0.87 -1.05 0.00 0.00 178.44 177.29 1p6r h LYS 20 N 0.00 0.00 -6.89 0.49 1.79 -0.90 -3.45 116.57 107.60 1p6r h LYS 20 Ca 0.00 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 1p6r h LYS 20 Cb 0.14 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1p6r h LYS 20 CO 0.00 0.71 0.02 -1.58 -1.08 0.00 0.00 179.45 177.52 1p6r s HIS 21 N -3.40 3.16 0.03 -1.35 2.46 0.18 -5.04 115.29 111.34 1p6r s HIS 21 Ca -0.01 0.34 -0.31 0.00 0.47 0.00 0.00 55.06 55.56 1p6r s HIS 21 Cb 0.12 -2.57 -0.17 0.00 -0.13 0.00 0.00 32.58 29.83 1p6r s HIS 21 CO 0.78 -0.65 1.27 0.66 -2.47 0.00 0.00 174.74 174.33 1p6r h SER 22 N 0.10 -0.93 -0.34 9.88 4.64 -1.88 -3.46 113.55 121.56 1p6r h SER 22 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1p6r h SER 22 Cb 1.26 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1p6r h SER 22 CO 0.58 -0.57 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 1p6r n SER 23 N -5.51 0.67 -3.72 4.97 7.64 -1.26 -4.80 113.62 111.62 1p6r n SER 23 Ca -0.14 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.61 1p6r n SER 23 Cb 0.44 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.18 0.01 0.38 0.44 2.07 -0.63 -4.97 121.20 118.69 1p6r s ILE 24 Ca 0.00 -0.11 -0.19 0.00 -1.41 0.00 0.00 60.65 58.93 1p6r s ILE 24 Cb 0.00 -0.64 -0.10 0.00 0.13 0.00 0.00 42.46 41.85 1p6r s ILE 24 CO 0.00 -0.06 0.87 0.20 -1.91 0.00 0.00 174.94 174.04 1p6r s ASN 25 N -0.24 6.92 0.23 4.50 0.01 -1.26 -0.48 114.94 124.62 1p6r s ASN 25 Ca -0.04 1.55 -0.06 0.00 -0.71 0.00 0.00 52.86 53.60 1p6r s ASN 25 Cb -0.03 -2.48 0.33 0.00 0.41 0.00 0.00 41.25 39.47 1p6r s ASN 25 CO 0.02 -0.27 1.82 0.74 -1.51 0.00 0.00 177.10 177.91 1p6r h THR 26 N 2.02 0.97 -0.20 1.60 2.02 -1.21 0.36 112.91 118.48 1p6r h THR 26 Ca -0.48 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1p6r h THR 26 Cb 1.18 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1p6r h THR 26 CO 0.63 0.15 0.03 -0.55 0.37 0.00 0.00 175.52 176.15 1p6r h ASN 27 N 0.82 -0.02 -0.29 4.18 -1.07 -1.94 0.49 115.58 117.76 1p6r h ASN 27 Ca 0.36 0.03 0.06 0.00 0.07 0.00 0.00 56.30 56.83 1p6r h ASN 27 Cb 0.24 0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.49 1p6r h ASN 27 CO -0.20 0.02 -0.11 -0.33 0.07 0.00 0.00 177.43 176.88 1p6r h GLU 28 N 0.10 -0.05 0.28 4.14 5.08 -1.72 -0.12 114.58 122.29 1p6r h GLU 28 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1p6r h GLU 28 Cb 0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1p6r h GLU 28 CO -0.13 -0.04 -0.17 -0.24 -1.00 0.00 0.00 179.01 177.43 1p6r h VAL 29 N -0.06 0.64 -0.30 3.13 3.04 -0.36 0.52 116.25 122.86 1p6r h VAL 29 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1p6r h VAL 29 Cb 0.28 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1p6r h VAL 29 CO -0.33 0.00 0.19 0.40 -1.01 0.00 0.00 177.57 176.82 1p6r h ILE 30 N -0.43 1.08 0.14 3.17 2.04 -0.75 -0.22 117.51 122.53 1p6r h ILE 30 Ca -0.03 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1p6r h ILE 30 Cb 0.36 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1p6r h ILE 30 CO 0.03 0.08 -0.26 0.11 0.00 0.00 0.00 178.15 178.11 1p6r h LYS 31 N 0.40 -0.46 0.25 2.37 1.79 -0.84 0.11 116.57 120.18 1p6r h LYS 31 Ca 0.11 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1p6r h LYS 31 Cb -0.03 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1p6r h LYS 31 CO -0.02 -0.31 -0.36 1.49 -1.08 0.00 0.00 179.45 179.17 1p6r h GLU 32 N -0.48 -0.65 -0.66 3.15 4.57 -0.59 0.10 114.58 120.02 1p6r h GLU 32 Ca 0.03 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1p6r h GLU 32 Cb 0.50 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1p6r h GLU 32 CO -0.14 -0.43 0.26 -0.07 -1.18 0.00 0.00 179.01 177.45 1p6r h LEU 33 N -0.67 0.92 -0.92 1.64 -0.00 -0.96 -0.52 115.31 114.80 1p6r h LEU 33 Ca -0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 1p6r h LEU 33 Cb 0.64 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1p6r h LEU 33 CO -0.13 0.85 0.29 0.28 -0.00 0.00 0.00 178.44 179.73 1p6r h SER 34 N 0.94 0.99 -0.05 -0.43 0.02 -0.53 0.25 113.55 114.74 1p6r h SER 34 Ca 0.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1p6r h SER 34 Cb 0.22 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1p6r h SER 34 CO -0.02 0.88 0.01 0.50 -1.14 0.00 0.00 176.83 177.06 1p6r h LYS 35 N 1.06 0.09 0.13 3.45 3.64 -0.38 -3.34 116.57 121.22 1p6r h LYS 35 Ca 0.25 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.31 1p6r h LYS 35 Cb 0.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1p6r h LYS 35 CO -0.02 0.31 -1.40 1.79 -2.27 0.00 0.00 179.45 177.86 1p6r h THR 36 N -0.15 1.31 -4.00 1.00 1.35 -0.96 -3.46 112.91 107.99 1p6r h THR 36 Ca 0.02 -2.90 -0.60 0.00 -0.55 0.00 0.00 66.41 62.38 1p6r h THR 36 Cb 0.27 2.86 -0.31 0.00 -1.73 0.00 0.00 68.15 69.24 1p6r h THR 36 CO 0.00 0.85 -0.85 -0.44 -0.25 0.00 0.00 175.52 174.83 1p6r s SER 37 N -7.10 2.39 -1.16 5.36 0.01 0.88 -5.05 113.70 109.03 1p6r s SER 37 Ca -0.07 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 1p6r s SER 37 Cb 0.07 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 1p6r s SER 37 CO 0.87 0.19 2.15 0.35 0.41 0.00 0.00 173.24 177.21 1p6r n THR 38 N 3.02 2.78 -4.45 1.44 -2.24 -1.26 -4.15 114.28 109.41 1p6r n THR 38 Ca -0.17 -2.31 -0.23 0.00 -2.27 0.00 0.00 64.05 59.06 1p6r n THR 38 Cb 0.53 -2.46 -0.13 0.00 -2.10 0.00 0.00 70.33 66.16 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 3.88 1.61 0.66 4.78 0.51 -1.26 -5.14 118.94 123.97 1p6r s TRP 39 Ca 0.52 -0.38 -0.08 0.00 -2.12 0.00 0.00 56.10 54.04 1p6r s TRP 39 Cb 0.14 -0.94 0.02 0.00 -0.81 0.00 0.00 33.47 31.89 1p6r s TRP 39 CO -0.00 0.10 1.00 -1.54 -0.51 0.00 0.00 176.95 176.00 1p6r s SER 40 N -1.36 5.37 0.26 2.95 1.04 -1.26 -4.58 113.70 116.12 1p6r s SER 40 Ca 0.05 0.82 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 1p6r s SER 40 Cb -0.09 -1.67 0.48 0.00 0.10 0.00 0.00 66.02 64.84 1p6r s SER 40 CO 0.02 -1.28 1.81 -0.65 0.98 0.00 0.00 173.24 174.13 1p6r h PRO 41 N -0.44 0.83 -0.44 4.02 0.11 -1.99 -0.25 132.00 133.84 1p6r h PRO 41 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p6r h PRO 41 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1p6r h PRO 41 CO 0.62 0.55 0.27 0.87 -0.21 0.00 0.00 178.00 180.10 1p6r h LYS 42 N 0.85 0.60 -0.10 1.05 1.79 -1.98 0.20 116.57 118.98 1p6r h LYS 42 Ca 0.45 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.91 1p6r h LYS 42 Cb 0.45 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1p6r h LYS 42 CO -0.27 0.43 -0.15 1.15 -1.08 0.00 0.00 179.45 179.52 1p6r h THR 43 N 0.59 0.60 -0.33 -0.16 2.02 -1.62 0.14 112.91 114.14 1p6r h THR 43 Ca 0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.38 1p6r h THR 43 Cb -0.02 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1p6r h THR 43 CO -0.03 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.36 1p6r h ILE 44 N -0.21 0.88 -0.68 3.11 2.04 -0.64 -1.21 117.51 120.81 1p6r h ILE 44 Ca 0.08 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1p6r h ILE 44 Cb 0.33 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1p6r h ILE 44 CO -0.22 0.04 0.45 1.56 0.00 0.00 0.00 178.15 179.98 1p6r h GLN 45 N 0.23 0.84 -0.22 2.37 4.20 -0.21 0.24 115.11 122.55 1p6r h GLN 45 Ca 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1p6r h GLN 45 Cb 0.14 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1p6r h GLN 45 CO -0.17 0.55 0.11 1.15 -0.67 0.00 0.00 178.83 179.80 1p6r h THR 46 N 0.86 1.14 0.00 -0.54 2.02 0.39 0.18 112.91 116.97 1p6r h THR 46 Ca 0.26 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1p6r h THR 46 Cb -0.02 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1p6r h THR 46 CO -0.07 0.14 -0.04 0.24 0.37 0.00 0.00 175.52 176.16 1p6r h MET 47 N 0.23 -0.08 -0.36 6.66 2.86 -0.41 -0.38 114.93 123.45 1p6r h MET 47 Ca 0.08 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1p6r h MET 47 Cb 0.12 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1p6r h MET 47 CO -0.01 -0.05 0.00 -0.07 1.06 0.00 0.00 176.91 177.84 1p6r h LEU 48 N -0.08 -0.14 -0.21 1.22 3.38 -0.84 -1.54 115.31 117.10 1p6r h LEU 48 Ca 0.02 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1p6r h LEU 48 Cb 0.10 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1p6r h LEU 48 CO -0.04 -0.03 -0.12 0.25 0.09 0.00 0.00 178.44 178.59 1p6r h LEU 49 N 0.11 -0.39 0.26 1.67 7.12 -0.29 0.10 115.31 123.90 1p6r h LEU 49 Ca 0.18 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.28 1p6r h LEU 49 Cb 0.24 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.55 1p6r h LEU 49 CO -0.29 -0.15 -0.47 0.03 -0.13 0.00 0.00 178.44 177.43 1p6r h ARG 50 N -0.10 -0.75 -0.46 1.25 2.47 -0.48 0.94 114.38 117.25 1p6r h ARG 50 Ca 0.12 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 58.98 1p6r h ARG 50 Cb 0.28 0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 28.67 1p6r h ARG 50 CO -0.28 -0.50 -0.24 -0.07 0.56 0.00 0.00 179.97 179.44 1p6r h LEU 51 N -0.78 -0.83 0.22 3.04 4.07 -1.04 -0.11 115.31 119.87 1p6r h LEU 51 Ca -0.03 0.18 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1p6r h LEU 51 Cb 0.73 0.43 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1p6r h LEU 51 CO -0.17 -0.26 -0.14 0.40 -1.08 0.00 0.00 178.44 177.19 1p6r h ILE 52 N -0.15 0.71 -0.92 1.22 2.04 -0.56 0.23 117.51 120.09 1p6r h ILE 52 Ca 0.21 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 1p6r h ILE 52 Cb 0.48 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1p6r h ILE 52 CO -0.55 0.00 0.53 0.50 0.00 0.00 0.00 178.15 178.63 1p6r h LYS 53 N -0.35 0.77 -0.14 2.37 3.64 -0.33 0.47 116.57 123.00 1p6r h LYS 53 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1p6r h LYS 53 Cb 0.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1p6r h LYS 53 CO 0.02 0.51 0.00 1.63 -2.27 0.00 0.00 179.45 179.34 1p6r n LYS 54 N -4.75 1.33 -1.95 1.90 5.02 -0.10 -0.24 118.16 119.38 1p6r n LYS 54 Ca 0.18 -0.52 -0.14 0.00 -2.02 0.00 0.00 58.31 55.81 1p6r n LYS 54 Cb 0.40 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.75 0.44 0.13 0.72 0.00 0.15 -0.83 105.19 106.55 1p6r n GLY 55 Ca 0.06 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 0.42 -0.10 -4.32 4.61 0.00 -0.74 -3.43 119.26 115.70 1p6r h ALA 56 Ca -0.33 -0.80 -0.62 0.00 0.00 0.00 0.00 54.91 53.16 1p6r h ALA 56 Cb 1.14 0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.79 1p6r h ALA 56 CO 0.42 0.55 -0.86 -0.51 0.00 0.00 0.00 179.25 178.85 1p6r s LEU 57 N -7.73 2.02 0.10 0.00 1.02 -1.22 -0.45 118.68 112.43 1p6r s LEU 57 Ca -0.12 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.67 1p6r s LEU 57 Cb 0.02 -1.12 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 1p6r s LEU 57 CO 0.88 0.25 0.07 0.21 0.02 0.00 0.00 176.35 177.77 1p6r s ASN 58 N -0.38 5.39 0.10 2.29 2.47 -0.24 -4.30 114.94 120.26 1p6r s ASN 58 Ca 0.05 -0.08 0.02 0.00 0.42 0.00 0.00 52.86 53.27 1p6r s ASN 58 Cb -0.09 -1.40 -0.04 0.00 -1.45 0.00 0.00 41.25 38.27 1p6r s ASN 58 CO 0.00 0.16 -0.07 -1.38 -3.72 0.00 0.00 177.10 172.09 1p6r s HIS 59 N -1.43 0.88 -0.01 0.43 -3.43 -1.26 -0.12 115.29 110.35 1p6r s HIS 59 Ca 0.29 -0.89 -0.05 0.00 -0.80 0.00 0.00 55.06 53.60 1p6r s HIS 59 Cb -0.12 -0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 30.52 1p6r s HIS 59 CO 0.21 -0.15 0.09 -3.38 -2.00 0.00 0.00 174.74 169.52 1p6r s HIS 60 N -3.52 0.03 -0.63 0.38 -3.43 -0.47 -4.98 115.29 102.67 1p6r s HIS 60 Ca 0.11 -0.07 -0.26 0.00 -0.80 0.00 0.00 55.06 54.04 1p6r s HIS 60 Cb 0.05 -0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.19 1p6r s HIS 60 CO -0.05 -0.19 1.12 0.15 -2.00 0.00 0.00 174.74 173.77 1p6r s LYS 61 N -0.93 3.30 -1.27 -0.38 1.02 -1.26 -0.39 119.74 119.83 1p6r s LYS 61 Ca -0.10 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.53 1p6r s LYS 61 Cb -0.06 -4.11 0.13 0.00 -0.52 0.00 0.00 37.83 33.27 1p6r s LYS 61 CO 0.01 -1.79 1.67 -1.91 -0.92 0.00 0.00 175.35 172.40 1p6r n GLU 62 N 8.35 3.32 0.00 1.68 0.00 0.90 -4.79 120.64 130.09 1p6r n GLU 62 Ca 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 57.16 53.67 1p6r n GLU 62 Cb 0.48 -3.17 0.00 0.00 0.00 0.00 0.00 31.44 28.75 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1p6r n GLY 63 N 4.25 0.32 0.39 8.31 0.00 -1.26 -2.69 105.19 114.51 1p6r n GLY 63 Ca 0.42 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.47 1p6r n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6r n ARG 64 N 0.00 0.41 -4.07 1.61 3.00 -1.26 -5.02 116.66 111.33 1p6r n ARG 64 Ca 0.00 0.18 -0.33 0.00 -0.01 0.00 0.00 57.85 57.69 1p6r n ARG 64 Cb 0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 32.46 31.20 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1p6r s VAL 65 N -2.37 4.79 0.07 1.55 -7.23 -1.10 -5.11 120.40 111.00 1p6r s VAL 65 Ca -0.27 -0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.34 1p6r s VAL 65 Cb 0.10 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 1p6r s VAL 65 CO 0.34 0.32 0.48 0.72 -0.31 0.00 0.00 175.10 176.65 1p6r s PHE 66 N -1.23 3.67 -0.08 2.82 -0.71 -1.26 -0.07 117.98 121.12 1p6r s PHE 66 Ca 0.24 1.02 0.01 0.00 -1.04 0.00 0.00 56.93 57.16 1p6r s PHE 66 Cb -0.12 -2.32 -0.03 0.00 -1.21 0.00 0.00 43.02 39.34 1p6r s PHE 66 CO 0.15 0.54 -0.10 0.08 -1.34 0.00 0.00 175.22 174.56 1p6r s VAL 67 N -1.27 3.41 -0.26 -2.49 1.01 0.47 -0.61 120.40 120.66 1p6r s VAL 67 Ca 0.31 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 1p6r s VAL 67 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1p6r s VAL 67 CO 0.17 0.58 0.28 -0.31 0.00 0.00 0.00 175.10 175.82 1p6r s TYR 68 N -0.54 3.25 -0.36 5.22 2.02 0.36 -1.37 117.35 125.94 1p6r s TYR 68 Ca 0.08 0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.95 1p6r s TYR 68 Cb -0.12 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.00 1p6r s TYR 68 CO 0.02 -0.15 0.22 0.95 -1.57 0.00 0.00 175.55 175.02 1p6r s THR 69 N 1.76 4.85 0.19 -0.71 -4.23 0.83 -1.60 115.64 116.73 1p6r s THR 69 Ca 0.11 -0.60 -0.33 0.00 -1.18 0.00 0.00 61.69 59.69 1p6r s THR 69 Cb -0.15 -3.61 -0.13 0.00 1.34 0.00 0.00 72.50 69.94 1p6r s THR 69 CO 0.09 -0.14 1.62 -2.65 -0.54 0.00 0.00 174.62 173.00 1p6r n PRO 70 N 5.05 2.41 0.02 3.99 -0.02 -1.26 -1.08 135.00 144.10 1p6r n PRO 70 Ca -0.12 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1p6r n PRO 70 Cb 0.48 -2.66 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 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 6.03 0.25 -2.03 2.55 -1.24 -1.06 -3.45 115.58 116.64 1p6r h ASN 71 Ca -0.44 -0.46 -0.55 0.00 0.71 0.00 0.00 56.30 55.56 1p6r h ASN 71 Cb 1.23 -0.08 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 1p6r h ASN 71 CO 0.90 1.40 -0.59 0.27 -1.29 0.00 0.00 177.43 178.12 1p6r s ILE 72 N -2.60 3.22 0.22 2.57 -0.00 -1.15 -5.04 121.20 118.42 1p6r s ILE 72 Ca -0.11 -1.79 0.07 0.00 -0.00 0.00 0.00 60.65 58.82 1p6r s ILE 72 Cb 0.07 -2.93 -0.04 0.00 -0.00 0.00 0.00 42.46 39.57 1p6r s ILE 72 CO 0.82 -0.27 0.09 -0.62 -0.00 0.00 0.00 174.94 174.96 1p6r s ASP 73 N -3.77 5.08 0.20 4.36 2.15 -1.26 -4.98 116.67 118.46 1p6r s ASP 73 Ca 0.35 -0.37 -0.19 0.00 0.43 0.00 0.00 52.55 52.77 1p6r s ASP 73 Cb -0.04 -1.17 0.17 0.00 -0.30 0.00 0.00 42.92 41.58 1p6r s ASP 73 CO 0.21 0.02 1.44 -0.62 -0.17 0.00 0.00 175.17 176.05 1p6r n GLU 74 N -0.73 -0.25 -0.04 4.34 1.02 -1.26 -0.33 120.64 123.39 1p6r n GLU 74 Ca -0.08 1.42 0.23 0.00 -0.02 0.00 0.00 57.16 58.72 1p6r n GLU 74 Cb 0.57 -2.11 0.72 0.00 -0.02 0.00 0.00 31.44 30.60 1p6r n GLU 74 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1p6r h SER 75 N 0.00 0.00 -0.52 1.62 0.02 -2.00 0.56 113.55 113.23 1p6r h SER 75 Ca 0.29 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.86 1p6r h SER 75 Cb 0.52 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.75 1p6r h SER 75 CO -0.91 0.00 -0.76 -0.90 -1.14 0.00 0.00 176.83 173.12 1p6r n ASP 76 N -4.16 3.79 -0.10 3.07 5.75 0.56 -4.81 116.55 120.65 1p6r n ASP 76 Ca 0.12 -3.64 0.10 0.00 -0.01 0.00 0.00 54.79 51.36 1p6r n ASP 76 Cb 0.75 -0.40 0.46 0.00 -1.03 0.00 0.00 41.12 40.90 1p6r n ASP 76 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1p6r h TYR 77 N 1.87 0.52 -3.71 2.11 -0.00 0.34 -3.30 116.97 114.80 1p6r h TYR 77 Ca 0.23 0.01 -0.64 0.00 -0.00 0.00 0.00 58.73 58.33 1p6r h TYR 77 Cb 1.39 -0.17 -0.38 0.00 -0.00 0.00 0.00 36.73 37.57 1p6r h TYR 77 CO 0.79 0.26 -0.77 0.42 -0.00 0.00 0.00 178.16 178.85 1p6r s ILE 78 N -5.46 1.92 -0.76 -0.90 1.01 -1.26 -4.60 121.20 111.15 1p6r s ILE 78 Ca -0.08 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.63 1p6r s ILE 78 Cb 0.19 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1p6r s ILE 78 CO 0.75 -0.23 1.48 -1.61 0.00 0.00 0.00 174.94 175.33 1p6r s GLU 79 N 1.17 3.08 -0.04 2.79 2.02 -1.24 -4.96 118.70 121.51 1p6r s GLU 79 Ca -0.02 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1p6r s GLU 79 Cb -0.19 -4.45 -0.04 0.00 0.10 0.00 0.00 34.13 29.55 1p6r s GLU 79 CO -0.07 -2.37 1.29 0.54 0.02 0.00 0.00 175.26 174.66 1p6r s VAL 80 N 6.67 4.04 0.00 2.63 0.11 -1.26 -4.76 120.40 127.83 1p6r s VAL 80 Ca 0.46 1.38 0.00 0.00 -2.93 0.00 0.00 61.98 60.90 1p6r s VAL 80 Cb -0.08 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1p6r s VAL 80 CO 0.12 -0.01 0.00 2.29 -3.33 0.00 0.00 175.10 174.17 1p6r n LYS 81 N 5.37 0.00 0.00 1.54 2.85 -1.26 -5.23 118.16 121.44 1p6r n LYS 81 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1p6r n LYS 81 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78