#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 0.04 -6.28 3.17 1.57 -2.03 -3.38 116.57 109.65 1p6r h LYS 2 Ca 0.00 -0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 1p6r h LYS 2 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1p6r h LYS 2 CO 0.00 0.03 -0.19 0.21 -0.57 0.00 0.00 179.45 178.92 1p6r s LYS 3 N -6.20 3.76 -0.35 3.15 2.20 -1.26 -5.08 119.74 115.95 1p6r s LYS 3 Ca -0.13 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1p6r s LYS 3 Cb 0.12 -2.81 0.11 0.00 -1.51 0.00 0.00 37.83 33.75 1p6r s LYS 3 CO 0.70 0.43 0.11 0.42 -0.36 0.00 0.00 175.35 176.64 1p6r s ILE 4 N -1.65 1.61 -0.10 5.43 1.01 -1.26 -5.10 121.20 121.14 1p6r s ILE 4 Ca 0.42 -2.05 -0.30 0.00 0.00 0.00 0.00 60.65 58.72 1p6r s ILE 4 Cb -0.12 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 1p6r s ILE 4 CO 0.21 -0.68 2.07 -2.65 0.00 0.00 0.00 174.94 173.89 1p6r n PRO 5 N 4.33 2.31 -2.18 2.79 -0.02 -1.26 -4.51 135.00 136.46 1p6r n PRO 5 Ca 0.02 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1p6r n PRO 5 Cb 0.40 -3.00 -0.00 0.00 -0.02 0.00 0.00 33.50 30.88 1p6r n PRO 5 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1p6r n GLN 6 N 7.88 2.98 -2.66 -0.52 7.27 -1.26 -4.67 117.38 126.40 1p6r n GLN 6 Ca 0.25 -2.94 -0.43 0.00 0.07 0.00 0.00 57.00 53.95 1p6r n GLN 6 Cb 0.39 -3.41 -0.02 0.00 2.41 0.00 0.00 30.24 29.62 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1p6r s ILE 7 N 3.98 4.66 0.99 1.69 -1.09 -1.26 -5.06 121.20 125.11 1p6r s ILE 7 Ca 0.51 1.98 -0.17 0.00 -2.23 0.00 0.00 60.65 60.75 1p6r s ILE 7 Cb 0.08 -4.32 0.23 0.00 -1.58 0.00 0.00 42.46 36.87 1p6r s ILE 7 CO 0.01 -0.22 1.32 -0.24 -1.23 0.00 0.00 174.94 174.58 1p6r n SER 8 N 6.39 0.00 0.42 3.58 2.88 -1.26 -4.78 113.62 120.85 1p6r n SER 8 Ca 0.12 -1.47 -0.17 0.00 -1.33 0.00 0.00 58.87 56.02 1p6r n SER 8 Cb 0.46 -1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 62.82 1p6r n SER 8 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1p6r h ASP 9 N -1.79 -0.99 -0.70 -3.46 3.58 -1.98 0.80 116.42 111.87 1p6r h ASP 9 Ca -0.43 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.20 1p6r h ASP 9 Cb 1.18 0.27 -0.10 0.00 1.72 0.00 0.00 39.33 42.41 1p6r h ASP 9 CO 0.30 -0.67 0.21 0.00 -2.88 0.00 0.00 179.24 176.21 1p6r h ALA 10 N -1.41 0.92 0.32 -0.78 0.00 -2.00 -0.43 119.26 115.88 1p6r h ALA 10 Ca -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1p6r h ALA 10 Cb 0.85 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1p6r h ALA 10 CO 0.15 -0.27 -0.22 0.93 0.00 0.00 0.00 179.25 179.84 1p6r h GLU 11 N 0.34 -0.51 -0.95 0.00 5.08 -1.92 -2.90 114.58 113.72 1p6r h GLU 11 Ca 0.38 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.95 1p6r h GLU 11 Cb 0.60 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 1p6r h GLU 11 CO -0.43 -0.34 0.55 1.25 -1.00 0.00 0.00 179.01 179.04 1p6r h LEU 12 N -0.53 0.70 -0.40 1.33 5.85 0.71 0.09 115.31 123.06 1p6r h LEU 12 Ca -0.03 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1p6r h LEU 12 Cb 0.45 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1p6r h LEU 12 CO 0.01 0.27 0.01 -0.33 -0.34 0.00 0.00 178.44 178.06 1p6r h GLU 13 N 0.73 0.11 -0.35 1.25 4.39 -0.99 0.12 114.58 119.84 1p6r h GLU 13 Ca 0.53 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.20 1p6r h GLU 13 Cb 0.79 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1p6r h GLU 13 CO -0.37 0.08 0.11 -0.39 -1.16 0.00 0.00 179.01 177.27 1p6r h VAL 14 N 0.12 1.21 0.00 3.13 -1.51 -0.96 0.64 116.25 118.88 1p6r h VAL 14 Ca 0.20 -0.69 0.03 0.00 -1.23 0.00 0.00 66.70 65.01 1p6r h VAL 14 Cb 0.28 1.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 1p6r h VAL 14 CO -0.32 0.24 -0.20 0.24 -1.23 0.00 0.00 177.57 176.30 1p6r h MET 15 N 0.42 -0.31 -0.56 5.19 2.86 -0.80 0.52 114.93 122.25 1p6r h MET 15 Ca 0.11 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1p6r h MET 15 Cb 0.26 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1p6r h MET 15 CO -0.00 -0.20 0.34 0.87 1.06 0.00 0.00 176.91 178.97 1p6r h LYS 16 N -0.32 0.66 0.19 1.72 1.57 -0.64 0.10 116.57 119.85 1p6r h LYS 16 Ca 0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1p6r h LYS 16 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1p6r h LYS 16 CO -0.18 0.43 -0.24 0.28 -0.57 0.00 0.00 179.45 179.17 1p6r h VAL 17 N 0.68 0.47 -0.33 0.50 2.07 -0.35 -2.46 116.25 116.82 1p6r h VAL 17 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1p6r h VAL 17 Cb 0.01 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1p6r h VAL 17 CO -0.09 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.76 1p6r h ILE 18 N -0.49 0.55 0.00 4.57 2.04 -0.53 -1.53 117.51 122.14 1p6r h ILE 18 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1p6r h ILE 18 Cb 0.48 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1p6r h ILE 18 CO -0.09 0.00 0.23 -0.50 0.00 0.00 0.00 178.15 177.79 1p6r h TRP 19 N -0.08 0.00 0.00 1.37 6.55 -0.39 0.99 115.95 124.39 1p6r h TRP 19 Ca 0.17 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.85 1p6r h TRP 19 Cb 0.33 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.61 1p6r h TRP 19 CO -0.35 0.00 -0.77 0.87 -1.05 0.00 0.00 178.44 177.14 1p6r h LYS 20 N 0.00 0.00 -6.79 0.49 1.79 -0.83 -3.45 116.57 107.77 1p6r h LYS 20 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 1p6r h LYS 20 Cb 0.46 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1p6r h LYS 20 CO 0.00 0.77 -0.06 -1.01 -1.08 0.00 0.00 179.45 178.07 1p6r s HIS 21 N -3.20 2.95 -0.01 -1.35 3.76 0.34 -5.04 115.29 112.73 1p6r s HIS 21 Ca -0.00 0.04 -0.22 0.00 -0.15 0.00 0.00 55.06 54.73 1p6r s HIS 21 Cb 0.11 -2.63 -0.12 0.00 1.11 0.00 0.00 32.58 31.05 1p6r s HIS 21 CO 0.78 -0.73 0.90 0.66 -0.85 0.00 0.00 174.74 175.50 1p6r h SER 22 N 0.17 -0.65 -0.32 1.40 4.64 -1.88 -3.47 113.55 113.44 1p6r h SER 22 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1p6r h SER 22 Cb 1.28 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1p6r h SER 22 CO 0.53 -0.25 0.00 -1.20 -0.87 0.00 0.00 176.83 175.04 1p6r n SER 23 N -5.29 0.63 -3.71 4.97 7.64 -1.26 -4.75 113.62 111.85 1p6r n SER 23 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 1p6r n SER 23 Cb 0.31 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.05 0.02 0.41 0.44 2.07 -1.02 -4.98 121.20 118.19 1p6r s ILE 24 Ca 0.00 -0.16 -0.13 0.00 -1.41 0.00 0.00 60.65 58.96 1p6r s ILE 24 Cb 0.00 -0.67 -0.07 0.00 0.13 0.00 0.00 42.46 41.85 1p6r s ILE 24 CO 0.00 -0.09 0.81 0.20 -1.91 0.00 0.00 174.94 173.95 1p6r s ASN 25 N -0.46 6.59 0.16 4.50 0.01 -1.26 -0.63 114.94 123.84 1p6r s ASN 25 Ca -0.06 1.25 -0.26 0.00 -0.71 0.00 0.00 52.86 53.08 1p6r s ASN 25 Cb -0.03 -2.37 0.02 0.00 0.41 0.00 0.00 41.25 39.27 1p6r s ASN 25 CO 0.03 -0.40 1.58 0.74 -1.51 0.00 0.00 177.10 177.53 1p6r h THR 26 N 1.22 0.12 -1.00 1.60 2.02 -1.32 0.12 112.91 115.66 1p6r h THR 26 Ca -0.47 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.83 1p6r h THR 26 Cb 1.18 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 1p6r h THR 26 CO 0.64 0.00 0.63 -1.13 0.37 0.00 0.00 175.52 176.03 1p6r h ASN 27 N -0.29 0.93 -0.13 4.18 -0.00 -1.94 -0.27 115.58 118.05 1p6r h ASN 27 Ca 0.15 0.05 -0.03 0.00 -0.00 0.00 0.00 56.30 56.47 1p6r h ASN 27 Cb 0.57 -0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1p6r h ASN 27 CO -0.60 0.50 -0.03 -0.33 -0.00 0.00 0.00 177.43 176.98 1p6r h GLU 28 N 1.00 0.25 0.04 6.67 5.08 -1.44 -1.90 114.58 124.29 1p6r h GLU 28 Ca 0.49 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1p6r h GLU 28 Cb 0.48 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1p6r h GLU 28 CO -0.26 0.54 -0.04 -0.24 -1.00 0.00 0.00 179.01 178.01 1p6r h VAL 29 N -0.05 0.91 -0.10 3.13 3.04 0.08 0.13 116.25 123.38 1p6r h VAL 29 Ca 0.03 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.74 1p6r h VAL 29 Cb 0.44 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 1p6r h VAL 29 CO 0.01 0.00 0.01 0.40 -1.01 0.00 0.00 177.57 176.98 1p6r h ILE 30 N -0.09 0.94 0.13 3.17 2.04 -1.11 -0.01 117.51 122.58 1p6r h ILE 30 Ca 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1p6r h ILE 30 Cb 0.08 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1p6r h ILE 30 CO -0.01 0.01 -0.07 0.11 0.00 0.00 0.00 178.15 178.19 1p6r h LYS 31 N 0.04 -0.18 -0.27 2.37 1.79 -1.14 0.14 116.57 119.33 1p6r h LYS 31 Ca 0.05 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1p6r h LYS 31 Cb 0.05 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.68 1p6r h LYS 31 CO -0.08 -0.12 -0.16 1.49 -1.08 0.00 0.00 179.45 179.51 1p6r h GLU 32 N -0.19 -0.13 -0.36 3.15 4.57 -0.51 0.19 114.58 121.31 1p6r h GLU 32 Ca -0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1p6r h GLU 32 Cb 0.15 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1p6r h GLU 32 CO 0.03 -0.09 0.02 -0.07 -1.18 0.00 0.00 179.01 177.72 1p6r h LEU 33 N -0.13 0.61 -0.86 1.64 -0.00 -0.91 -1.70 115.31 113.96 1p6r h LEU 33 Ca 0.14 -0.29 0.14 0.00 -0.00 0.00 0.00 57.88 57.87 1p6r h LEU 33 Cb 0.35 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.76 1p6r h LEU 33 CO -0.35 0.75 0.46 0.28 -0.00 0.00 0.00 178.44 179.58 1p6r h SER 34 N 0.44 0.59 -0.05 -0.43 0.02 0.11 0.26 113.55 114.50 1p6r h SER 34 Ca 0.10 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1p6r h SER 34 Cb 0.42 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1p6r h SER 34 CO 0.01 0.27 -0.00 0.11 -1.14 0.00 0.00 176.83 176.08 1p6r h LYS 35 N 0.68 0.08 -0.08 3.45 1.57 -0.82 -3.02 116.57 118.44 1p6r h LYS 35 Ca 0.46 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1p6r h LYS 35 Cb 0.60 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1p6r h LYS 35 CO -0.34 0.40 -0.44 1.79 -0.57 0.00 0.00 179.45 180.29 1p6r h THR 36 N -0.24 1.40 -2.31 -0.16 1.35 -0.52 -3.42 112.91 109.00 1p6r h THR 36 Ca 0.01 -1.82 -0.31 0.00 -0.55 0.00 0.00 66.41 63.74 1p6r h THR 36 Cb 0.36 2.30 -0.34 0.00 -1.73 0.00 0.00 68.15 68.74 1p6r h THR 36 CO 0.00 0.54 -0.62 -0.44 -0.25 0.00 0.00 175.52 174.75 1p6r s SER 37 N -6.57 1.45 -0.85 5.36 0.01 0.84 -5.08 113.70 108.86 1p6r s SER 37 Ca -0.13 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 1p6r s SER 37 Cb 0.05 0.49 -0.07 0.00 0.21 0.00 0.00 66.02 66.69 1p6r s SER 37 CO 0.81 -0.35 2.02 0.41 0.41 0.00 0.00 173.24 176.53 1p6r n THR 38 N 5.32 2.21 -2.09 1.44 -1.04 -1.14 -4.16 114.28 114.81 1p6r n THR 38 Ca -0.04 -1.41 -0.32 0.00 -2.04 0.00 0.00 64.05 60.25 1p6r n THR 38 Cb 0.48 -2.13 -0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1p6r n THR 38 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1p6r s TRP 39 N 3.77 3.35 0.63 -1.42 0.51 -1.26 -5.03 118.94 119.49 1p6r s TRP 39 Ca 0.41 1.43 -0.17 0.00 -2.12 0.00 0.00 56.10 55.65 1p6r s TRP 39 Cb 0.10 -2.83 -0.01 0.00 -0.81 0.00 0.00 33.47 29.92 1p6r s TRP 39 CO -0.00 -0.72 1.15 -1.54 -0.51 0.00 0.00 176.95 175.33 1p6r s SER 40 N -3.36 5.11 0.40 2.95 1.04 -1.26 -4.76 113.70 113.81 1p6r s SER 40 Ca 0.59 2.18 0.16 0.00 0.48 0.00 0.00 55.95 59.36 1p6r s SER 40 Cb -0.12 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.46 1p6r s SER 40 CO 0.41 -1.64 1.83 -0.65 0.98 0.00 0.00 173.24 174.17 1p6r h PRO 41 N 0.42 0.44 0.01 4.02 0.11 -1.96 0.11 132.00 135.16 1p6r h PRO 41 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p6r h PRO 41 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p6r h PRO 41 CO 0.54 0.29 -0.00 -0.22 -0.21 0.00 0.00 178.00 178.40 1p6r h LYS 42 N 0.46 -0.01 -0.23 1.05 3.64 -1.99 -0.26 116.57 119.23 1p6r h LYS 42 Ca 0.51 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.94 1p6r h LYS 42 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1p6r h LYS 42 CO -0.22 0.07 -0.07 1.15 -2.27 0.00 0.00 179.45 178.10 1p6r h THR 43 N -0.09 0.74 -0.03 1.00 2.02 -1.23 0.10 112.91 115.42 1p6r h THR 43 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1p6r h THR 43 Cb 0.09 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1p6r h THR 43 CO 0.00 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 176.03 1p6r h ILE 44 N -0.02 0.40 -0.66 3.11 1.08 -0.74 0.91 117.51 121.59 1p6r h ILE 44 Ca 0.11 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.65 1p6r h ILE 44 Cb 0.19 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.29 1p6r h ILE 44 CO -0.25 0.00 0.36 1.56 -0.69 0.00 0.00 178.15 179.13 1p6r h GLN 45 N -0.38 0.64 -0.24 2.37 4.20 -0.73 0.09 115.11 121.06 1p6r h GLN 45 Ca 0.07 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1p6r h GLN 45 Cb 0.48 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1p6r h GLN 45 CO -0.25 0.42 0.12 1.15 -0.67 0.00 0.00 178.83 179.60 1p6r h THR 46 N 0.66 1.00 0.23 -0.54 2.02 -0.06 0.42 112.91 116.64 1p6r h THR 46 Ca 0.30 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1p6r h THR 46 Cb 0.21 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1p6r h THR 46 CO -0.19 0.05 -0.19 0.24 0.37 0.00 0.00 175.52 175.80 1p6r h MET 47 N 0.26 -0.41 -0.25 6.66 2.86 -0.24 0.33 114.93 124.14 1p6r h MET 47 Ca 0.10 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1p6r h MET 47 Cb 0.02 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 1p6r h MET 47 CO -0.06 -0.28 -0.25 -0.07 1.06 0.00 0.00 176.91 177.32 1p6r h LEU 48 N -0.43 -0.79 -0.17 1.22 3.38 -0.76 0.74 115.31 118.51 1p6r h LEU 48 Ca -0.01 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1p6r h LEU 48 Cb 0.39 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1p6r h LEU 48 CO -0.02 -0.28 -0.19 0.25 0.09 0.00 0.00 178.44 178.29 1p6r h LEU 49 N -0.25 -0.60 -0.08 1.67 7.12 -0.71 0.31 115.31 122.77 1p6r h LEU 49 Ca 0.14 0.11 0.04 0.00 0.13 0.00 0.00 57.88 58.29 1p6r h LEU 49 Cb 0.46 0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.84 1p6r h LEU 49 CO -0.40 -0.24 -0.15 0.03 -0.13 0.00 0.00 178.44 177.56 1p6r h ARG 50 N -0.22 -0.20 -0.52 1.25 2.47 -0.23 -0.49 114.38 116.44 1p6r h ARG 50 Ca 0.11 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1p6r h ARG 50 Cb 0.39 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.71 1p6r h ARG 50 CO -0.30 -0.14 0.28 -0.07 0.56 0.00 0.00 179.97 180.31 1p6r h LEU 51 N -0.21 0.43 -0.11 3.04 3.38 -0.50 0.15 115.31 121.48 1p6r h LEU 51 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1p6r h LEU 51 Cb 0.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1p6r h LEU 51 CO -0.21 0.30 -0.04 0.40 0.09 0.00 0.00 178.44 178.97 1p6r h ILE 52 N 0.55 0.85 -0.79 1.22 2.04 -0.51 0.10 117.51 120.97 1p6r h ILE 52 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1p6r h ILE 52 Cb 0.10 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1p6r h ILE 52 CO -0.14 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.64 1p6r h LYS 53 N -0.03 0.93 0.00 2.37 1.57 -0.40 0.98 116.57 122.00 1p6r h LYS 53 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p6r h LYS 53 Cb 0.11 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1p6r h LYS 53 CO -0.13 0.61 0.00 1.63 -0.57 0.00 0.00 179.45 181.00 1p6r n LYS 54 N -4.46 0.69 -1.54 3.15 5.02 0.45 -4.86 118.16 116.62 1p6r n LYS 54 Ca 0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1p6r n LYS 54 Cb 0.13 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.31 0.71 0.17 0.72 0.00 0.34 -4.48 105.19 102.95 1p6r n GLY 55 Ca 0.10 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 0.13 -0.02 -2.50 4.61 0.00 -0.98 -3.43 119.26 117.06 1p6r h ALA 56 Ca -0.18 -0.75 -0.17 0.00 0.00 0.00 0.00 54.91 53.81 1p6r h ALA 56 Cb 0.75 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 1p6r h ALA 56 CO 0.25 0.63 -0.55 -0.51 0.00 0.00 0.00 179.25 179.07 1p6r s LEU 57 N -7.90 1.48 -0.05 0.00 1.43 -1.26 -0.96 118.68 111.43 1p6r s LEU 57 Ca -0.10 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 51.88 1p6r s LEU 57 Cb 0.05 0.56 0.02 0.00 0.03 0.00 0.00 46.19 46.85 1p6r s LEU 57 CO 0.92 -0.79 -0.05 0.21 0.23 0.00 0.00 176.35 176.87 1p6r s ASN 58 N -3.04 1.04 -0.26 2.29 3.84 0.26 -4.45 114.94 114.62 1p6r s ASN 58 Ca 0.24 -0.14 -0.12 0.00 0.21 0.00 0.00 52.86 53.05 1p6r s ASN 58 Cb 0.06 -0.49 -0.05 0.00 -0.55 0.00 0.00 41.25 40.23 1p6r s ASN 58 CO 0.02 -0.05 0.22 -1.38 -2.79 0.00 0.00 177.10 173.12 1p6r s HIS 59 N 0.90 3.26 -0.01 0.43 -3.43 -1.26 -0.56 115.29 114.62 1p6r s HIS 59 Ca -0.11 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.36 1p6r s HIS 59 Cb -0.14 -2.38 -0.04 0.00 -1.43 0.00 0.00 32.58 28.59 1p6r s HIS 59 CO 0.00 -0.10 0.05 -1.58 -2.00 0.00 0.00 174.74 171.12 1p6r s HIS 60 N 1.57 3.22 -0.85 0.38 2.46 0.18 -4.93 115.29 117.32 1p6r s HIS 60 Ca 0.09 0.17 -0.21 0.00 0.47 0.00 0.00 55.06 55.58 1p6r s HIS 60 Cb -0.15 -1.72 0.10 0.00 -0.13 0.00 0.00 32.58 30.68 1p6r s HIS 60 CO 0.09 0.52 1.12 0.15 -2.47 0.00 0.00 174.74 174.15 1p6r s LYS 61 N -1.64 3.44 -1.26 2.88 -0.14 -1.26 -0.14 119.74 121.62 1p6r s LYS 61 Ca 0.21 -1.35 -0.14 0.00 -1.36 0.00 0.00 55.97 53.33 1p6r s LYS 61 Cb -0.12 -4.74 0.14 0.00 -1.68 0.00 0.00 37.83 31.43 1p6r s LYS 61 CO 0.12 -1.85 1.65 0.39 -0.76 0.00 0.00 175.35 174.90 1p6r n GLU 62 N 7.28 3.35 0.00 1.68 -0.58 0.98 -4.88 120.64 128.47 1p6r n GLU 62 Ca 0.16 -3.57 0.00 0.00 -0.42 0.00 0.00 57.16 53.33 1p6r n GLU 62 Cb 0.48 -3.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.22 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1p6r n GLY 63 N 4.08 0.11 0.09 0.62 0.00 -1.26 -1.65 105.19 107.18 1p6r n GLY 63 Ca 0.41 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 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 0.64 -4.36 1.61 5.12 -1.26 -4.98 116.66 113.42 1p6r n ARG 64 Ca 0.00 0.16 -0.19 0.00 -1.93 0.00 0.00 57.85 55.89 1p6r n ARG 64 Cb 0.00 -1.72 -0.10 0.00 -1.16 0.00 0.00 32.46 29.49 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1p6r s VAL 65 N -2.76 0.64 -0.12 1.55 -7.23 -0.66 -5.13 120.40 106.69 1p6r s VAL 65 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1p6r s VAL 65 Cb 0.08 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1p6r s VAL 65 CO 0.83 0.00 -0.13 0.72 -0.31 0.00 0.00 175.10 176.21 1p6r s PHE 66 N -3.59 2.81 -0.16 2.82 -0.71 -1.26 -0.01 117.98 117.88 1p6r s PHE 66 Ca 0.36 -0.59 -0.11 0.00 -1.04 0.00 0.00 56.93 55.55 1p6r s PHE 66 Cb 0.07 -1.83 -0.05 0.00 -1.21 0.00 0.00 43.02 40.00 1p6r s PHE 66 CO 0.15 -0.17 0.19 0.08 -1.34 0.00 0.00 175.22 174.13 1p6r s VAL 67 N 0.26 5.38 -0.27 -2.49 1.01 0.81 -0.78 120.40 124.32 1p6r s VAL 67 Ca -0.09 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1p6r s VAL 67 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1p6r s VAL 67 CO 0.05 0.48 0.32 -0.31 0.00 0.00 0.00 175.10 175.64 1p6r s TYR 68 N -0.01 3.25 -0.19 5.22 2.02 0.20 -0.65 117.35 127.20 1p6r s TYR 68 Ca 0.13 0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1p6r s TYR 68 Cb -0.12 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1p6r s TYR 68 CO 0.02 -0.19 -0.00 0.95 -1.57 0.00 0.00 175.55 174.76 1p6r s THR 69 N 1.92 4.02 0.27 -0.71 -4.23 0.27 -2.44 115.64 114.74 1p6r s THR 69 Ca 0.13 -0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.04 1p6r s THR 69 Cb -0.16 -2.80 -0.11 0.00 1.34 0.00 0.00 72.50 70.78 1p6r s THR 69 CO 0.10 0.45 1.49 -2.84 -0.54 0.00 0.00 174.62 173.28 1p6r s PRO 70 N 0.75 4.21 -0.01 3.99 0.02 -1.26 -0.57 135.00 142.13 1p6r s PRO 70 Ca -0.00 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 1p6r s PRO 70 Cb -0.14 -3.08 -0.32 0.00 0.02 0.00 0.00 34.50 30.98 1p6r s PRO 70 CO 0.02 -0.49 0.82 -0.91 -0.33 0.00 0.00 177.00 176.10 1p6r h ASN 71 N 4.92 0.66 -2.10 2.53 2.35 -1.33 -3.45 115.58 119.15 1p6r h ASN 71 Ca -0.46 -0.86 -0.56 0.00 -0.55 0.00 0.00 56.30 53.87 1p6r h ASN 71 Cb 1.22 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 39.29 1p6r h ASN 71 CO 0.78 1.70 -0.61 0.27 -1.65 0.00 0.00 177.43 177.92 1p6r s ILE 72 N -2.59 3.31 0.30 2.81 -4.36 -1.19 -5.02 121.20 114.46 1p6r s ILE 72 Ca -0.12 -1.85 0.07 0.00 -0.26 0.00 0.00 60.65 58.48 1p6r s ILE 72 Cb 0.05 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 1p6r s ILE 72 CO 0.88 -0.31 0.34 -0.62 0.24 0.00 0.00 174.94 175.47 1p6r s ASP 73 N -3.72 5.73 0.26 4.36 2.15 -1.26 -5.00 116.67 119.17 1p6r s ASP 73 Ca 0.33 -0.26 -0.05 0.00 0.43 0.00 0.00 52.55 53.00 1p6r s ASP 73 Cb -0.05 -1.29 0.50 0.00 -0.30 0.00 0.00 42.92 41.78 1p6r s ASP 73 CO 0.21 -0.27 1.63 -0.33 -0.17 0.00 0.00 175.17 176.23 1p6r h GLU 74 N 1.17 0.10 -0.05 4.34 5.08 -1.98 0.95 114.58 124.18 1p6r h GLU 74 Ca -0.47 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1p6r h GLU 74 Cb 1.25 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1p6r h GLU 74 CO 0.57 0.07 0.13 0.77 -1.00 0.00 0.00 179.01 179.55 1p6r h SER 75 N 0.11 0.00 0.55 1.42 0.02 -2.05 0.13 113.55 113.72 1p6r h SER 75 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1p6r h SER 75 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1p6r h SER 75 CO -0.70 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 174.32 1p6r n ASP 76 N -3.31 0.00 -2.73 3.07 2.03 0.33 -4.35 116.55 111.59 1p6r n ASP 76 Ca -0.02 0.24 -0.19 0.00 0.52 0.00 0.00 54.79 55.35 1p6r n ASP 76 Cb 0.21 -0.39 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 1p6r n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p6r n TYR 77 N -1.39 0.93 -3.75 -0.67 9.36 0.03 -4.68 117.16 117.00 1p6r n TYR 77 Ca 0.07 -1.77 -0.36 0.00 3.32 0.00 0.00 57.90 59.16 1p6r n TYR 77 Cb 0.20 -1.63 -0.11 0.00 -0.63 0.00 0.00 39.34 37.17 1p6r n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1p6r s ILE 78 N 2.33 3.46 0.29 2.97 -1.09 -1.26 -5.09 121.20 122.81 1p6r s ILE 78 Ca 0.49 -2.31 -0.29 0.00 -2.23 0.00 0.00 60.65 56.31 1p6r s ILE 78 Cb 0.17 -3.33 -0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1p6r s ILE 78 CO -0.02 -0.75 1.13 -1.61 -1.23 0.00 0.00 174.94 172.46 1p6r s GLU 79 N 0.80 4.59 0.15 2.79 2.02 -1.26 -4.89 118.70 122.90 1p6r s GLU 79 Ca 0.11 1.87 -0.30 0.00 0.02 0.00 0.00 54.97 56.67 1p6r s GLU 79 Cb -0.22 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 1p6r s GLU 79 CO -0.04 0.14 1.17 0.54 0.02 0.00 0.00 175.26 177.10 1p6r s VAL 80 N -1.14 3.77 -1.11 2.63 0.11 -1.26 -4.97 120.40 118.43 1p6r s VAL 80 Ca 0.45 1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 60.81 1p6r s VAL 80 Cb -0.33 -3.91 0.22 0.00 -1.53 0.00 0.00 36.38 30.82 1p6r s VAL 80 CO 0.43 0.20 1.20 -0.54 -3.33 0.00 0.00 175.10 173.06 1p6r s LYS 81 N 0.07 4.06 0.00 1.54 -0.14 -1.26 -4.90 119.74 119.11 1p6r s LYS 81 Ca 0.53 -2.80 0.00 0.00 -1.36 0.00 0.00 55.97 52.35 1p6r s LYS 81 Cb -0.31 -4.76 0.00 0.00 -1.68 0.00 0.00 37.83 31.08 1p6r s LYS 81 CO 0.34 -1.48 0.00 0.43 -0.76 0.00 0.00 175.35 173.88