#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6r n LYS 2 N 0.00 0.00 -2.12 2.12 5.02 -1.26 -4.71 118.16 117.21 1p6r n LYS 2 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1p6r n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1p6r n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1p6r s LYS 3 N 0.00 4.30 0.35 1.97 2.20 -1.26 -4.97 119.74 122.32 1p6r s LYS 3 Ca 0.00 2.14 -0.29 0.00 -0.36 0.00 0.00 55.97 57.46 1p6r s LYS 3 Cb 0.00 -3.23 -0.11 0.00 -1.51 0.00 0.00 37.83 32.98 1p6r s LYS 3 CO 0.00 -0.48 1.45 0.42 -0.36 0.00 0.00 175.35 176.38 1p6r s ILE 4 N 1.13 2.27 -0.27 5.43 -1.09 -1.26 -4.87 121.20 122.54 1p6r s ILE 4 Ca 0.66 0.27 -0.40 0.00 -2.23 0.00 0.00 60.65 58.95 1p6r s ILE 4 Cb -0.38 -3.17 -0.16 0.00 -1.58 0.00 0.00 42.46 37.17 1p6r s ILE 4 CO 0.30 0.06 1.74 -2.65 -1.23 0.00 0.00 174.94 173.17 1p6r n PRO 5 N 0.89 1.19 -1.92 2.79 -0.02 -1.26 -4.77 135.00 131.89 1p6r n PRO 5 Ca 0.02 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 1p6r n PRO 5 Cb 0.40 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1p6r n PRO 5 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1p6r n GLN 6 N 5.37 2.23 -2.77 -0.52 1.13 -1.26 -4.88 117.38 116.68 1p6r n GLN 6 Ca 0.26 -2.56 -0.42 0.00 -1.94 0.00 0.00 57.00 52.34 1p6r n GLN 6 Cb 0.13 -3.39 -0.03 0.00 0.11 0.00 0.00 30.24 27.06 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1p6r s ILE 7 N 6.34 4.82 0.87 5.09 -1.09 -1.26 -5.07 121.20 130.89 1p6r s ILE 7 Ca 0.58 1.88 -0.12 0.00 -2.23 0.00 0.00 60.65 60.76 1p6r s ILE 7 Cb 0.07 -4.24 0.20 0.00 -1.58 0.00 0.00 42.46 36.90 1p6r s ILE 7 CO 0.08 0.00 1.19 -0.24 -1.23 0.00 0.00 174.94 174.74 1p6r n SER 8 N 5.16 0.38 0.24 3.58 2.88 -1.26 -4.80 113.62 119.80 1p6r n SER 8 Ca 0.07 -1.61 -0.14 0.00 -1.33 0.00 0.00 58.87 55.86 1p6r n SER 8 Cb 0.49 -0.88 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 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 -1.40 -1.03 -0.60 -3.46 3.58 -1.99 0.83 116.42 112.35 1p6r h ASP 9 Ca -0.39 0.08 0.11 0.00 0.42 0.00 0.00 57.03 57.25 1p6r h ASP 9 Cb 1.14 0.33 -0.08 0.00 1.72 0.00 0.00 39.33 42.44 1p6r h ASP 9 CO 0.30 -0.51 0.16 0.00 -2.88 0.00 0.00 179.24 176.31 1p6r h ALA 10 N -1.16 0.74 -0.27 -0.78 0.00 -1.99 0.12 119.26 115.91 1p6r h ALA 10 Ca -0.05 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1p6r h ALA 10 Cb 0.67 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1p6r h ALA 10 CO -0.03 -0.28 0.08 0.93 0.00 0.00 0.00 179.25 179.96 1p6r h GLU 11 N 0.30 0.20 -0.81 0.00 5.08 -1.89 -2.09 114.58 115.37 1p6r h GLU 11 Ca 0.32 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1p6r h GLU 11 Cb 0.45 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1p6r h GLU 11 CO -0.38 0.13 0.54 1.25 -1.00 0.00 0.00 179.01 179.55 1p6r h LEU 12 N 0.20 0.93 -0.21 1.33 7.12 0.61 0.54 115.31 125.83 1p6r h LEU 12 Ca 0.12 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.17 1p6r h LEU 12 Cb 0.10 -0.23 -0.07 0.00 -0.53 0.00 0.00 40.66 39.93 1p6r h LEU 12 CO -0.13 0.67 -0.24 -0.33 -0.13 0.00 0.00 178.44 178.28 1p6r h GLU 13 N 1.09 -0.25 -0.62 1.25 5.08 -0.53 0.13 114.58 120.73 1p6r h GLU 13 Ca 0.30 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 1p6r h GLU 13 Cb -0.12 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1p6r h GLU 13 CO -0.07 -0.17 0.29 -0.39 -1.00 0.00 0.00 179.01 177.67 1p6r h VAL 14 N -0.26 1.22 -0.52 3.13 -1.51 -0.74 -1.59 116.25 115.98 1p6r h VAL 14 Ca 0.12 -0.64 0.08 0.00 -1.23 0.00 0.00 66.70 65.04 1p6r h VAL 14 Cb 0.45 0.49 -0.07 0.00 -2.13 0.00 0.00 31.29 30.03 1p6r h VAL 14 CO -0.36 0.26 0.14 0.24 -1.23 0.00 0.00 177.57 176.62 1p6r h MET 15 N 0.86 0.28 -0.36 5.19 2.86 -0.11 0.11 114.93 123.77 1p6r h MET 15 Ca 0.21 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1p6r h MET 15 Cb 0.14 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1p6r h MET 15 CO -0.02 0.19 0.11 -0.22 1.06 0.00 0.00 176.91 178.03 1p6r h LYS 16 N 0.29 0.25 -0.06 1.72 1.63 -0.29 0.17 116.57 120.28 1p6r h LYS 16 Ca 0.26 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1p6r h LYS 16 Cb 0.34 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1p6r h LYS 16 CO -0.31 0.16 -0.03 0.28 -3.45 0.00 0.00 179.45 176.10 1p6r h VAL 17 N 0.25 0.89 -0.74 2.00 2.07 -0.32 0.26 116.25 120.67 1p6r h VAL 17 Ca 0.16 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1p6r h VAL 17 Cb 0.15 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1p6r h VAL 17 CO -0.18 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.22 1p6r h ILE 18 N -0.03 0.94 -0.09 4.57 2.04 -0.20 -1.60 117.51 123.13 1p6r h ILE 18 Ca 0.04 -0.25 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 1p6r h ILE 18 Cb 0.09 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1p6r h ILE 18 CO -0.08 0.13 -0.54 -0.50 0.00 0.00 0.00 178.15 177.16 1p6r h TRP 19 N 0.73 0.32 -0.01 1.37 6.55 -0.31 -3.25 115.95 121.35 1p6r h TRP 19 Ca 0.34 -0.11 -0.00 0.00 0.95 0.00 0.00 58.89 60.07 1p6r h TRP 19 Cb 0.26 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1p6r h TRP 19 CO -0.08 0.74 0.00 -0.22 -1.05 0.00 0.00 178.44 177.84 1p6r h LYS 20 N 0.20 0.02 -7.37 0.49 1.63 0.43 -3.43 116.57 108.53 1p6r h LYS 20 Ca 0.00 -0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.30 1p6r h LYS 20 Cb 1.02 -0.00 0.10 0.00 -0.60 0.00 0.00 32.23 32.75 1p6r h LYS 20 CO 0.09 0.20 0.36 -1.01 -3.45 0.00 0.00 179.45 175.64 1p6r s HIS 21 N -5.42 3.02 0.07 1.91 3.76 -0.73 -4.99 115.29 112.90 1p6r s HIS 21 Ca -0.14 1.29 -0.36 0.00 -0.15 0.00 0.00 55.06 55.70 1p6r s HIS 21 Cb 0.04 -2.98 -0.19 0.00 1.11 0.00 0.00 32.58 30.56 1p6r s HIS 21 CO 0.67 -1.44 1.59 0.77 -0.85 0.00 0.00 174.74 175.48 1p6r h SER 22 N -0.86 -1.09 -0.31 1.40 0.02 -1.83 -3.46 113.55 107.42 1p6r h SER 22 Ca -0.45 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1p6r h SER 22 Cb 1.24 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1p6r h SER 22 CO 0.58 -0.71 0.00 -1.20 -1.14 0.00 0.00 176.83 174.36 1p6r n SER 23 N -5.60 0.62 -3.66 3.07 7.64 -1.26 -4.94 113.62 109.49 1p6r n SER 23 Ca -0.15 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.59 1p6r n SER 23 Cb 0.47 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.02 0.04 0.29 0.44 2.07 -1.25 -4.98 121.20 117.79 1p6r s ILE 24 Ca 0.00 -0.35 0.06 0.00 -1.41 0.00 0.00 60.65 58.95 1p6r s ILE 24 Cb 0.00 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 1p6r s ILE 24 CO 0.00 -0.19 0.33 0.54 -1.91 0.00 0.00 174.94 173.70 1p6r s ASN 25 N -1.57 5.79 0.25 4.50 2.20 -1.26 -0.78 114.94 124.06 1p6r s ASN 25 Ca -0.10 -0.21 -0.04 0.00 -0.94 0.00 0.00 52.86 51.57 1p6r s ASN 25 Cb -0.02 -1.38 0.48 0.00 -2.00 0.00 0.00 41.25 38.32 1p6r s ASN 25 CO 0.03 -0.21 1.69 0.74 -2.94 0.00 0.00 177.10 176.40 1p6r h THR 26 N 1.21 0.51 0.02 0.54 2.02 -1.54 0.15 112.91 115.82 1p6r h THR 26 Ca -0.48 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1p6r h THR 26 Cb 1.24 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1p6r h THR 26 CO 0.58 0.05 -0.01 -1.13 0.37 0.00 0.00 175.52 175.38 1p6r h ASN 27 N 0.28 -0.02 -0.31 4.18 -1.24 -1.96 -0.04 115.58 116.46 1p6r h ASN 27 Ca 0.42 -0.21 0.02 0.00 0.71 0.00 0.00 56.30 57.24 1p6r h ASN 27 Cb 0.73 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.75 1p6r h ASN 27 CO -0.51 0.20 0.15 -0.33 -1.29 0.00 0.00 177.43 175.65 1p6r h GLU 28 N -0.25 0.30 0.26 6.67 5.08 -1.78 -0.26 114.58 124.61 1p6r h GLU 28 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1p6r h GLU 28 Cb 0.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1p6r h GLU 28 CO 0.00 0.20 -0.12 -0.24 -1.00 0.00 0.00 179.01 177.85 1p6r h VAL 29 N 0.31 0.79 -0.17 3.13 3.04 -0.68 0.11 116.25 122.77 1p6r h VAL 29 Ca 0.13 -0.30 0.04 0.00 -1.01 0.00 0.00 66.70 65.56 1p6r h VAL 29 Cb 0.06 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 30.26 1p6r h VAL 29 CO -0.10 0.07 -0.08 0.40 -1.01 0.00 0.00 177.57 176.84 1p6r h ILE 30 N -0.50 0.74 0.45 3.17 2.04 -0.79 0.59 117.51 123.22 1p6r h ILE 30 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1p6r h ILE 30 Cb 0.38 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1p6r h ILE 30 CO 0.06 0.00 -0.32 0.11 0.00 0.00 0.00 178.15 178.00 1p6r h LYS 31 N -0.06 -0.73 -0.16 2.37 1.79 -0.97 0.41 116.57 119.22 1p6r h LYS 31 Ca 0.09 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 1p6r h LYS 31 Cb 0.20 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 1p6r h LYS 31 CO -0.21 -0.49 -0.24 1.49 -1.08 0.00 0.00 179.45 178.93 1p6r h GLU 32 N -0.76 -0.27 0.89 3.15 4.57 -0.47 0.80 114.58 122.50 1p6r h GLU 32 Ca -0.05 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1p6r h GLU 32 Cb 0.64 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1p6r h GLU 32 CO 0.02 -0.18 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.17 1p6r h LEU 33 N -0.28 -1.01 -1.53 1.64 4.07 -0.84 -2.80 115.31 114.55 1p6r h LEU 33 Ca 0.11 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.22 1p6r h LEU 33 Cb 0.45 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 1p6r h LEU 33 CO -0.32 -0.67 0.48 0.28 -1.08 0.00 0.00 178.44 177.12 1p6r h SER 34 N -1.30 0.46 -0.48 -0.43 0.02 -0.77 0.32 113.55 111.38 1p6r h SER 34 Ca -0.12 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1p6r h SER 34 Cb 0.92 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1p6r h SER 34 CO 0.20 0.26 0.11 0.50 -1.14 0.00 0.00 176.83 176.76 1p6r h LYS 35 N 0.51 0.83 0.00 3.45 3.64 -0.77 -3.27 116.57 120.96 1p6r h LYS 35 Ca 0.34 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1p6r h LYS 35 Cb 0.64 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1p6r h LYS 35 CO -0.11 0.76 -0.52 0.25 -2.27 0.00 0.00 179.45 177.56 1p6r n THR 36 N -4.26 1.14 -3.82 1.00 -2.24 -0.03 -4.83 114.28 101.23 1p6r n THR 36 Ca 0.04 0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.71 1p6r n THR 36 Cb 0.24 -2.19 -0.13 0.00 -2.10 0.00 0.00 70.33 66.15 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 -5.34 5.13 -0.60 3.42 0.01 0.92 -5.03 113.70 112.22 1p6r s SER 37 Ca -0.15 -1.46 -0.17 0.00 1.31 0.00 0.00 55.95 55.48 1p6r s SER 37 Cb 0.02 -1.79 -0.15 0.00 0.21 0.00 0.00 66.02 64.31 1p6r s SER 37 CO 0.22 -0.37 1.82 0.35 0.41 0.00 0.00 173.24 175.67 1p6r n THR 38 N 4.67 1.48 -3.47 1.44 -2.24 -1.23 -3.62 114.28 111.31 1p6r n THR 38 Ca -0.10 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.19 1p6r n THR 38 Cb 0.43 -2.13 -0.06 0.00 -2.10 0.00 0.00 70.33 66.47 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 4.93 3.68 0.66 4.78 0.51 -1.26 -5.03 118.94 127.21 1p6r s TRP 39 Ca 0.49 0.99 -0.16 0.00 -2.12 0.00 0.00 56.10 55.30 1p6r s TRP 39 Cb 0.12 -2.30 -0.00 0.00 -0.81 0.00 0.00 33.47 30.48 1p6r s TRP 39 CO 0.11 0.57 1.14 -1.12 -0.51 0.00 0.00 176.95 177.13 1p6r s SER 40 N -1.38 4.98 0.30 2.95 0.01 -1.26 -4.50 113.70 114.80 1p6r s SER 40 Ca 0.29 2.13 0.06 0.00 1.31 0.00 0.00 55.95 59.75 1p6r s SER 40 Cb -0.16 -2.57 0.75 0.00 0.21 0.00 0.00 66.02 64.25 1p6r s SER 40 CO 0.16 -1.72 1.77 -0.65 0.41 0.00 0.00 173.24 173.22 1p6r h PRO 41 N 0.17 0.73 -0.58 12.44 0.11 -1.98 0.70 132.00 143.60 1p6r h PRO 41 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1p6r h PRO 41 Cb 1.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1p6r h PRO 41 CO 0.53 0.48 0.31 1.57 -0.21 0.00 0.00 178.00 180.69 1p6r h LYS 42 N 0.75 0.81 0.14 1.05 2.10 -1.99 -0.08 116.57 119.36 1p6r h LYS 42 Ca 0.58 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1p6r h LYS 42 Cb 0.92 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1p6r h LYS 42 CO -0.39 0.63 -0.11 1.15 -2.00 0.00 0.00 179.45 178.74 1p6r h THR 43 N 0.78 0.76 -0.15 0.07 2.02 -1.27 0.10 112.91 115.22 1p6r h THR 43 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.42 1p6r h THR 43 Cb 0.06 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1p6r h THR 43 CO -0.03 0.00 -0.11 0.40 0.37 0.00 0.00 175.52 176.15 1p6r h ILE 44 N -0.26 0.68 -0.90 3.11 2.04 -1.03 0.16 117.51 121.31 1p6r h ILE 44 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1p6r h ILE 44 Cb 0.23 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1p6r h ILE 44 CO -0.01 0.00 0.59 1.56 0.00 0.00 0.00 178.15 180.29 1p6r h GLN 45 N -0.11 1.09 0.20 2.37 4.20 -0.75 0.91 115.11 123.02 1p6r h GLN 45 Ca 0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1p6r h GLN 45 Cb 0.25 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1p6r h GLN 45 CO -0.22 0.72 -0.11 1.15 -0.67 0.00 0.00 178.83 179.70 1p6r h THR 46 N 1.13 0.76 -0.38 -0.54 2.02 0.13 0.21 112.91 116.24 1p6r h THR 46 Ca 0.36 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.60 1p6r h THR 46 Cb 0.03 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1p6r h THR 46 CO -0.11 0.00 0.07 0.24 0.37 0.00 0.00 175.52 176.09 1p6r h MET 47 N -0.30 0.19 -0.40 6.66 2.86 -0.07 0.11 114.93 123.99 1p6r h MET 47 Ca -0.02 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1p6r h MET 47 Cb 0.24 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1p6r h MET 47 CO 0.03 0.13 0.02 -0.07 1.06 0.00 0.00 176.91 178.07 1p6r h LEU 48 N 0.20 -0.13 -0.67 1.22 3.38 -0.67 -1.24 115.31 117.39 1p6r h LEU 48 Ca 0.18 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1p6r h LEU 48 Cb 0.22 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1p6r h LEU 48 CO -0.24 -0.03 0.39 0.25 0.09 0.00 0.00 178.44 178.90 1p6r h LEU 49 N 0.13 0.60 0.38 1.67 6.46 0.23 0.11 115.31 124.89 1p6r h LEU 49 Ca 0.20 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1p6r h LEU 49 Cb 0.27 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1p6r h LEU 49 CO -0.32 0.40 -0.47 0.03 -0.62 0.00 0.00 178.44 177.46 1p6r h ARG 50 N 0.74 -0.86 -0.66 1.25 3.08 0.25 0.66 114.38 118.85 1p6r h ARG 50 Ca 0.29 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.52 1p6r h ARG 50 Cb 0.13 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 1p6r h ARG 50 CO -0.15 -0.57 0.19 -0.07 -1.07 0.00 0.00 179.97 178.30 1p6r h LEU 51 N -0.89 0.11 0.15 3.04 4.07 -0.97 0.17 115.31 121.00 1p6r h LEU 51 Ca -0.04 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1p6r h LEU 51 Cb 0.81 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1p6r h LEU 51 CO -0.12 0.05 -0.12 0.40 -1.08 0.00 0.00 178.44 177.57 1p6r h ILE 52 N 0.33 0.72 -0.81 1.22 2.04 -0.61 0.19 117.51 120.61 1p6r h ILE 52 Ca 0.35 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.28 1p6r h ILE 52 Cb 0.52 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1p6r h ILE 52 CO -0.40 0.00 0.48 0.50 0.00 0.00 0.00 178.15 178.73 1p6r h LYS 53 N -0.29 0.82 0.00 2.37 3.64 0.05 0.24 116.57 123.40 1p6r h LYS 53 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1p6r h LYS 53 Cb 0.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1p6r h LYS 53 CO -0.01 0.54 0.00 1.63 -2.27 0.00 0.00 179.45 179.34 1p6r n LYS 54 N -4.70 0.07 -2.12 1.90 5.02 0.51 -4.89 118.16 113.95 1p6r n LYS 54 Ca 0.12 0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1p6r n LYS 54 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.38 0.06 0.08 0.72 0.00 0.07 -0.13 105.19 106.36 1p6r n GLY 55 Ca 0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 0.41 0.44 -2.27 4.61 0.00 -0.88 -3.42 119.26 118.15 1p6r h ALA 56 Ca -0.21 -1.13 -0.24 0.00 0.00 0.00 0.00 54.91 53.33 1p6r h ALA 56 Cb 1.13 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1p6r h ALA 56 CO 0.25 1.31 -0.68 -0.51 0.00 0.00 0.00 179.25 179.62 1p6r s LEU 57 N -6.63 2.28 0.09 0.00 1.43 -1.21 -0.91 118.68 113.73 1p6r s LEU 57 Ca -0.04 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.00 1p6r s LEU 57 Cb 0.08 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 1p6r s LEU 57 CO 0.83 -0.54 -0.09 0.21 0.23 0.00 0.00 176.35 176.99 1p6r s ASN 58 N -3.09 1.34 0.10 2.29 2.47 0.03 -4.37 114.94 113.71 1p6r s ASN 58 Ca 0.18 -0.81 0.02 0.00 0.42 0.00 0.00 52.86 52.67 1p6r s ASN 58 Cb 0.06 0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.84 1p6r s ASN 58 CO -0.01 -0.28 -0.07 -1.38 -3.72 0.00 0.00 177.10 171.64 1p6r s HIS 59 N -2.48 0.89 0.04 0.43 -3.43 -1.26 0.03 115.29 109.51 1p6r s HIS 59 Ca 0.04 -0.88 0.08 0.00 -0.80 0.00 0.00 55.06 53.50 1p6r s HIS 59 Cb -0.03 -0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 30.58 1p6r s HIS 59 CO -0.01 -0.14 -0.23 -1.58 -2.00 0.00 0.00 174.74 170.79 1p6r s HIS 60 N -3.47 1.99 -0.63 0.38 2.46 -0.02 -4.95 115.29 111.06 1p6r s HIS 60 Ca 0.11 -0.39 -0.25 0.00 0.47 0.00 0.00 55.06 55.00 1p6r s HIS 60 Cb 0.04 -1.19 0.05 0.00 -0.13 0.00 0.00 32.58 31.35 1p6r s HIS 60 CO -0.04 0.10 1.05 0.15 -2.47 0.00 0.00 174.74 173.53 1p6r s LYS 61 N -1.19 3.26 -1.26 2.88 1.02 -1.26 -0.28 119.74 122.90 1p6r s LYS 61 Ca 0.09 -0.36 -0.14 0.00 0.02 0.00 0.00 55.97 55.58 1p6r s LYS 61 Cb -0.09 -4.13 0.14 0.00 -0.52 0.00 0.00 37.83 33.23 1p6r s LYS 61 CO 0.02 -1.74 1.65 -1.91 -0.92 0.00 0.00 175.35 172.44 1p6r n GLU 62 N 8.05 3.34 0.00 1.68 2.13 0.15 -4.84 120.64 131.15 1p6r n GLU 62 Ca 0.01 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.27 1p6r n GLU 62 Cb 0.47 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 29.04 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p6r n GLY 63 N 4.15 0.29 0.10 8.31 0.00 -1.26 -1.83 105.19 114.96 1p6r n GLY 63 Ca 0.41 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 47.08 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 0.68 -3.38 1.61 1.74 -1.26 -5.02 116.66 111.03 1p6r n ARG 64 Ca 0.00 0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 56.97 1p6r n ARG 64 Cb 0.00 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1p6r n ARG 64 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1p6r s VAL 65 N -2.42 2.52 -0.06 1.55 -7.23 -0.76 -5.11 120.40 108.89 1p6r s VAL 65 Ca -0.25 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1p6r s VAL 65 Cb 0.07 -2.74 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 1p6r s VAL 65 CO 0.52 0.00 -0.20 0.72 -0.31 0.00 0.00 175.10 175.83 1p6r s PHE 66 N -2.52 2.01 -0.07 2.82 -0.71 -1.26 0.32 117.98 118.57 1p6r s PHE 66 Ca 0.50 -0.63 -0.20 0.00 -1.04 0.00 0.00 56.93 55.57 1p6r s PHE 66 Cb -0.05 -1.35 -0.04 0.00 -1.21 0.00 0.00 43.02 40.37 1p6r s PHE 66 CO 0.30 -0.22 0.54 0.08 -1.34 0.00 0.00 175.22 174.59 1p6r s VAL 67 N 0.06 5.08 -0.28 -2.49 1.01 0.61 -1.27 120.40 123.14 1p6r s VAL 67 Ca -0.06 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 1p6r s VAL 67 Cb -0.13 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1p6r s VAL 67 CO 0.04 0.35 0.28 -0.31 0.00 0.00 0.00 175.10 175.46 1p6r s TYR 68 N 0.36 3.23 -0.35 5.22 2.02 0.04 -0.84 117.35 127.03 1p6r s TYR 68 Ca 0.29 0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 1p6r s TYR 68 Cb -0.16 -2.48 -0.01 0.00 -0.40 0.00 0.00 41.96 38.91 1p6r s TYR 68 CO 0.14 -0.20 0.37 0.95 -1.57 0.00 0.00 175.55 175.24 1p6r s THR 69 N 1.92 5.16 0.28 -0.71 -4.23 0.10 -3.78 115.64 114.38 1p6r s THR 69 Ca 0.11 -0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.32 1p6r s THR 69 Cb -0.16 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.74 1p6r s THR 69 CO 0.10 -0.13 1.27 -2.16 -0.54 0.00 0.00 174.62 173.16 1p6r s PRO 70 N 2.02 4.42 -0.00 3.99 0.04 -1.26 -0.79 135.00 143.42 1p6r s PRO 70 Ca 0.12 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1p6r s PRO 70 Cb -0.17 -3.14 -0.27 0.00 0.04 0.00 0.00 34.50 30.96 1p6r s PRO 70 CO 0.12 -0.13 0.83 -0.91 0.04 0.00 0.00 177.00 176.94 1p6r h ASN 71 N 4.15 0.38 -3.71 6.66 2.35 -1.31 -3.46 115.58 120.64 1p6r h ASN 71 Ca -0.47 -0.54 -0.68 0.00 -0.55 0.00 0.00 56.30 54.06 1p6r h ASN 71 Cb 1.22 -0.12 -0.19 0.00 0.05 0.00 0.00 38.32 39.28 1p6r h ASN 71 CO 0.70 1.45 -0.72 0.27 -1.65 0.00 0.00 177.43 177.48 1p6r s ILE 72 N -2.61 3.51 0.36 2.81 -4.36 -1.18 -4.99 121.20 114.74 1p6r s ILE 72 Ca -0.09 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.57 1p6r s ILE 72 Cb 0.07 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1p6r s ILE 72 CO 0.85 0.47 0.00 -0.67 0.24 0.00 0.00 174.94 175.82 1p6r n ASP 73 N 1.82 -2.72 -0.15 4.36 2.03 -1.26 -4.90 116.55 115.72 1p6r n ASP 73 Ca -0.16 0.67 -0.04 0.00 0.52 0.00 0.00 54.79 55.78 1p6r n ASP 73 Cb 0.53 2.64 -0.03 0.00 -0.72 0.00 0.00 41.12 43.53 1p6r n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1p6r n GLU 74 N -3.29 -0.15 -0.03 -0.67 -0.00 -1.26 -0.37 120.64 114.87 1p6r n GLU 74 Ca 0.00 1.09 0.01 0.00 -0.00 0.00 0.00 57.16 58.26 1p6r n GLU 74 Cb 0.00 -1.62 0.02 0.00 -0.00 0.00 0.00 31.44 29.84 1p6r n GLU 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1p6r n SER 75 N -3.76 0.30 0.00 -1.84 7.64 -1.26 -4.97 113.62 109.73 1p6r n SER 75 Ca 0.01 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1p6r n SER 75 Cb 0.09 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1p6r n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1p6r n ASP 76 N -0.34 0.00 -3.53 6.43 2.03 0.51 -3.68 116.55 117.96 1p6r n ASP 76 Ca 0.02 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.06 1p6r n ASP 76 Cb 0.05 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 1p6r n ASP 76 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1p6r s TYR 77 N 0.00 0.20 -0.21 -0.67 5.04 -1.26 -4.54 117.35 115.92 1p6r s TYR 77 Ca 0.00 -0.70 -0.21 0.00 -2.44 0.00 0.00 57.07 53.72 1p6r s TYR 77 Cb 0.00 -0.81 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 1p6r s TYR 77 CO 0.00 -0.79 0.63 0.42 -1.34 0.00 0.00 175.55 174.46 1p6r s ILE 78 N 2.14 5.02 -0.71 3.14 1.01 -1.24 -5.00 121.20 125.55 1p6r s ILE 78 Ca 0.08 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.64 1p6r s ILE 78 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1p6r s ILE 78 CO -0.32 0.10 1.62 -0.70 0.00 0.00 0.00 174.94 175.64 1p6r s GLU 79 N 2.01 2.90 0.47 2.79 2.12 -1.26 -4.87 118.70 122.86 1p6r s GLU 79 Ca 0.28 0.09 -0.21 0.00 0.36 0.00 0.00 54.97 55.49 1p6r s GLU 79 Cb -0.16 -4.44 -0.08 0.00 0.26 0.00 0.00 34.13 29.71 1p6r s GLU 79 CO 0.10 -2.54 1.06 0.54 -0.54 0.00 0.00 175.26 173.88 1p6r s VAL 80 N 7.64 3.64 -0.86 3.70 0.11 -1.26 -4.98 120.40 128.40 1p6r s VAL 80 Ca 0.54 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.69 1p6r s VAL 80 Cb -0.09 -3.49 0.34 0.00 -1.53 0.00 0.00 36.38 31.61 1p6r s VAL 80 CO 0.14 -0.14 1.71 0.29 -3.33 0.00 0.00 175.10 173.77 1p6r n LYS 81 N -0.72 4.11 0.00 1.54 5.02 -1.26 -5.03 118.16 121.82 1p6r n LYS 81 Ca 0.08 -4.31 0.00 0.00 -2.02 0.00 0.00 58.31 52.06 1p6r n LYS 81 Cb 0.51 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31