#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 -0.51 0.00 0.03 1.57 -1.89 -3.44 116.57 112.33 1p6r h LYS 2 Ca 0.00 0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 58.44 1p6r h LYS 2 Cb 0.00 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1p6r h LYS 2 CO 0.00 -0.34 -0.25 1.63 -0.57 0.00 0.00 179.45 179.92 1p6r n LYS 3 N -5.37 1.22 -0.23 3.15 4.01 -1.26 -5.06 118.16 114.62 1p6r n LYS 3 Ca -0.09 -2.12 0.03 0.00 -0.51 0.00 0.00 58.31 55.62 1p6r n LYS 3 Cb 0.27 0.49 0.14 0.00 -0.51 0.00 0.00 35.03 35.42 1p6r n LYS 3 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1p6r h ILE 4 N 1.02 0.42 -1.63 -0.18 2.04 -1.94 -3.42 117.51 113.83 1p6r h ILE 4 Ca -0.24 -0.04 -0.71 0.00 1.00 0.00 0.00 64.86 64.87 1p6r h ILE 4 Cb 0.74 0.28 0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1p6r h ILE 4 CO 0.39 0.02 0.69 -2.65 0.00 0.00 0.00 178.15 176.61 1p6r n PRO 5 N -5.30 1.19 -0.93 2.37 -0.02 -1.25 -4.22 135.00 126.83 1p6r n PRO 5 Ca 0.12 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 1p6r n PRO 5 Cb 0.42 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.04 1.85 -3.04 -0.52 6.02 0.17 0.42 117.38 126.32 1p6r n GLN 6 Ca 0.22 -0.88 -0.40 0.00 -0.01 0.00 0.00 57.00 55.94 1p6r n GLN 6 Cb 0.16 -1.84 -0.05 0.00 1.02 0.00 0.00 30.24 29.54 1p6r n GLN 6 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1p6r s ILE 7 N 0.73 5.04 0.56 5.09 1.01 -1.26 -4.82 121.20 127.55 1p6r s ILE 7 Ca 0.56 1.45 0.08 0.00 0.00 0.00 0.00 60.65 62.74 1p6r s ILE 7 Cb 0.27 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1p6r s ILE 7 CO -0.01 0.25 0.67 -0.94 0.00 0.00 0.00 174.94 174.92 1p6r s SER 8 N 0.77 4.98 0.08 3.58 1.04 -1.26 -4.53 113.70 118.37 1p6r s SER 8 Ca 0.38 -0.95 -0.28 0.00 0.48 0.00 0.00 55.95 55.57 1p6r s SER 8 Cb -0.18 0.30 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 1p6r s SER 8 CO 0.18 -1.25 1.45 -0.78 0.98 0.00 0.00 173.24 173.83 1p6r h ASP 9 N 0.37 -1.31 -0.48 7.02 3.58 -1.99 -0.11 116.42 123.50 1p6r h ASP 9 Ca -0.32 0.14 0.09 0.00 0.42 0.00 0.00 57.03 57.35 1p6r h ASP 9 Cb 1.29 0.48 -0.07 0.00 1.72 0.00 0.00 39.33 42.75 1p6r h ASP 9 CO 0.46 -0.46 0.07 0.00 -2.88 0.00 0.00 179.24 176.43 1p6r h ALA 10 N -0.73 0.52 -0.51 -0.78 0.00 -1.99 0.76 119.26 116.53 1p6r h ALA 10 Ca -0.01 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1p6r h ALA 10 Cb 0.63 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1p6r h ALA 10 CO -0.23 -0.34 0.15 0.93 0.00 0.00 0.00 179.25 179.76 1p6r h GLU 11 N 0.19 0.30 -0.56 0.00 5.08 -1.89 -0.99 114.58 116.71 1p6r h GLU 11 Ca 0.24 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1p6r h GLU 11 Cb 0.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1p6r h GLU 11 CO -0.34 0.20 0.23 1.25 -1.00 0.00 0.00 179.01 179.35 1p6r h LEU 12 N 0.31 0.76 -0.08 1.33 5.85 0.66 0.13 115.31 124.27 1p6r h LEU 12 Ca 0.25 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1p6r h LEU 12 Cb 0.30 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1p6r h LEU 12 CO -0.29 0.71 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.01 1p6r h GLU 13 N 0.76 -0.26 -0.19 1.25 4.39 -0.27 -2.13 114.58 118.14 1p6r h GLU 13 Ca 0.19 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1p6r h GLU 13 Cb 0.18 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1p6r h GLU 13 CO -0.02 -0.17 -0.04 0.28 -1.16 0.00 0.00 179.01 177.90 1p6r h VAL 14 N -0.27 0.81 -0.81 3.13 2.07 -0.94 -2.67 116.25 117.57 1p6r h VAL 14 Ca 0.08 -0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.79 1p6r h VAL 14 Cb 0.39 0.81 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 1p6r h VAL 14 CO -0.24 0.00 0.22 0.24 0.02 0.00 0.00 177.57 177.81 1p6r h MET 15 N 0.00 0.26 -0.84 1.57 2.86 -0.20 0.53 114.93 119.11 1p6r h MET 15 Ca 0.09 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1p6r h MET 15 Cb 0.14 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 1p6r h MET 15 CO -0.19 0.17 0.50 -0.22 1.06 0.00 0.00 176.91 178.23 1p6r h LYS 16 N 0.27 0.83 -0.01 1.72 3.64 -1.04 0.29 116.57 122.27 1p6r h LYS 16 Ca 0.48 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1p6r h LYS 16 Cb 0.88 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1p6r h LYS 16 CO -0.57 0.55 -0.02 0.28 -2.27 0.00 0.00 179.45 177.42 1p6r h VAL 17 N 0.85 0.94 -0.62 2.00 2.07 -0.94 0.15 116.25 120.70 1p6r h VAL 17 Ca 0.40 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.99 1p6r h VAL 17 Cb 0.32 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1p6r h VAL 17 CO -0.23 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.17 1p6r h ILE 18 N -0.04 0.98 0.04 4.57 2.04 -0.66 -2.39 117.51 122.05 1p6r h ILE 18 Ca 0.01 -0.20 -0.24 0.00 1.00 0.00 0.00 64.86 65.44 1p6r h ILE 18 Cb 0.05 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1p6r h ILE 18 CO -0.03 0.10 -1.12 -0.50 0.00 0.00 0.00 178.15 176.60 1p6r h TRP 19 N 0.57 0.15 0.12 1.37 6.55 0.02 -3.33 115.95 121.40 1p6r h TRP 19 Ca 0.27 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 1p6r h TRP 19 Cb 0.34 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 1p6r h TRP 19 CO -0.00 1.09 -0.06 0.87 -1.05 0.00 0.00 178.44 179.29 1p6r h LYS 20 N 0.02 -0.15 -7.18 0.49 1.79 -0.19 -3.43 116.57 107.92 1p6r h LYS 20 Ca -0.07 0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 57.91 1p6r h LYS 20 Cb 1.85 0.03 0.08 0.00 -1.58 0.00 0.00 32.23 32.61 1p6r h LYS 20 CO 0.15 -0.01 0.38 -1.01 -1.08 0.00 0.00 179.45 177.88 1p6r s HIS 21 N -5.75 2.78 0.09 -1.35 3.76 -1.12 -4.97 115.29 108.73 1p6r s HIS 21 Ca -0.14 1.54 -0.33 0.00 -0.15 0.00 0.00 55.06 55.98 1p6r s HIS 21 Cb 0.05 -3.12 -0.15 0.00 1.11 0.00 0.00 32.58 30.47 1p6r s HIS 21 CO 0.65 -1.43 1.60 0.77 -0.85 0.00 0.00 174.74 175.48 1p6r h SER 22 N 0.37 -1.01 -0.31 1.40 0.02 -1.83 -3.45 113.55 108.75 1p6r h SER 22 Ca -0.47 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1p6r h SER 22 Cb 1.24 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1p6r h SER 22 CO 0.56 -0.55 0.00 -1.20 -1.14 0.00 0.00 176.83 174.50 1p6r n SER 23 N -5.50 0.62 -3.72 3.07 7.64 -1.26 -4.95 113.62 109.52 1p6r n SER 23 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 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 0.46 -0.01 0.57 0.44 2.07 -1.15 -4.97 121.20 118.60 1p6r s ILE 24 Ca 0.00 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 1p6r s ILE 24 Cb 0.00 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1p6r s ILE 24 CO 0.00 0.02 0.93 0.54 -1.91 0.00 0.00 174.94 174.51 1p6r s ASN 25 N 0.72 6.15 0.19 4.50 2.20 -1.26 -0.62 114.94 126.82 1p6r s ASN 25 Ca -0.04 1.15 -0.12 0.00 -0.94 0.00 0.00 52.86 52.91 1p6r s ASN 25 Cb -0.05 -2.29 0.20 0.00 -2.00 0.00 0.00 41.25 37.11 1p6r s ASN 25 CO -0.05 -0.79 1.72 0.74 -2.94 0.00 0.00 177.10 175.78 1p6r h THR 26 N -0.11 0.74 -0.13 0.54 2.02 -1.81 0.24 112.91 114.40 1p6r h THR 26 Ca -0.45 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1p6r h THR 26 Cb 1.20 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1p6r h THR 26 CO 0.62 0.05 0.03 -1.13 0.37 0.00 0.00 175.52 175.46 1p6r h ASN 27 N 0.27 0.01 -0.38 4.18 -1.24 -1.94 0.11 115.58 116.59 1p6r h ASN 27 Ca 0.26 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.32 1p6r h ASN 27 Cb 0.33 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 1p6r h ASN 27 CO -0.31 0.03 0.17 -0.33 -1.29 0.00 0.00 177.43 175.69 1p6r h GLU 28 N 0.09 0.34 0.33 6.67 5.08 -1.79 0.17 114.58 125.47 1p6r h GLU 28 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1p6r h GLU 28 Cb 0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1p6r h GLU 28 CO -0.08 0.22 -0.19 -0.24 -1.00 0.00 0.00 179.01 177.73 1p6r h VAL 29 N 0.35 0.60 -0.35 3.13 3.04 -0.53 0.11 116.25 122.60 1p6r h VAL 29 Ca 0.17 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.86 1p6r h VAL 29 Cb 0.11 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1p6r h VAL 29 CO -0.14 0.00 0.22 0.40 -1.01 0.00 0.00 177.57 177.05 1p6r h ILE 30 N -0.50 1.07 0.72 3.17 2.04 -0.76 -0.02 117.51 123.23 1p6r h ILE 30 Ca -0.04 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1p6r h ILE 30 Cb 0.40 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1p6r h ILE 30 CO 0.05 0.08 -0.50 0.11 0.00 0.00 0.00 178.15 177.89 1p6r h LYS 31 N 0.46 -1.12 -0.26 2.37 1.79 -0.79 0.19 116.57 119.22 1p6r h LYS 31 Ca 0.13 0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1p6r h LYS 31 Cb -0.04 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 1p6r h LYS 31 CO -0.04 -0.74 -0.17 0.93 -1.08 0.00 0.00 179.45 178.35 1p6r h GLU 32 N -1.16 -0.15 -0.08 3.15 3.07 -0.65 0.11 114.58 118.88 1p6r h GLU 32 Ca -0.09 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1p6r h GLU 32 Cb 0.95 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1p6r h GLU 32 CO 0.06 -0.10 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.49 1p6r h LEU 33 N -0.15 -0.06 -0.80 1.33 4.07 -0.92 0.69 115.31 119.46 1p6r h LEU 33 Ca 0.14 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.18 1p6r h LEU 33 Cb 0.37 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1p6r h LEU 33 CO -0.35 -0.02 0.49 0.28 -1.08 0.00 0.00 178.44 177.75 1p6r h SER 34 N 0.01 0.75 -0.11 -0.43 0.02 -0.41 0.97 113.55 114.35 1p6r h SER 34 Ca 0.04 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1p6r h SER 34 Cb 0.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1p6r h SER 34 CO -0.07 0.48 0.03 0.11 -1.14 0.00 0.00 176.83 176.24 1p6r h LYS 35 N 0.89 0.18 -0.16 3.45 1.57 -0.37 -3.28 116.57 118.85 1p6r h LYS 35 Ca 0.35 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1p6r h LYS 35 Cb 0.18 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1p6r h LYS 35 CO -0.18 0.33 -0.64 1.79 -0.57 0.00 0.00 179.45 180.18 1p6r h THR 36 N -0.01 1.33 -3.26 -0.16 1.35 -0.46 -3.46 112.91 108.24 1p6r h THR 36 Ca 0.04 -1.93 -0.14 0.00 -0.55 0.00 0.00 66.41 63.83 1p6r h THR 36 Cb 0.23 1.90 -0.22 0.00 -1.73 0.00 0.00 68.15 68.33 1p6r h THR 36 CO -0.00 0.60 -0.40 -0.44 -0.25 0.00 0.00 175.52 175.02 1p6r s SER 37 N -6.97 -0.12 -1.03 5.36 0.01 0.30 -5.07 113.70 106.18 1p6r s SER 37 Ca -0.08 0.07 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 1p6r s SER 37 Cb 0.10 0.32 -0.09 0.00 0.21 0.00 0.00 66.02 66.57 1p6r s SER 37 CO 0.86 -0.32 1.98 0.35 0.41 0.00 0.00 173.24 176.51 1p6r n THR 38 N 1.79 2.35 -4.83 1.44 -2.24 -1.26 -3.96 114.28 107.57 1p6r n THR 38 Ca -0.20 -2.16 -0.33 0.00 -2.27 0.00 0.00 64.05 59.10 1p6r n THR 38 Cb 0.56 -2.36 -0.15 0.00 -2.10 0.00 0.00 70.33 66.28 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 5.52 2.75 0.87 4.78 0.51 -1.26 -5.11 118.94 127.00 1p6r s TRP 39 Ca 0.57 -0.81 -0.11 0.00 -2.12 0.00 0.00 56.10 53.62 1p6r s TRP 39 Cb 0.11 -1.82 0.11 0.00 -0.81 0.00 0.00 33.47 31.06 1p6r s TRP 39 CO 0.07 -0.31 1.09 -1.54 -0.51 0.00 0.00 176.95 175.76 1p6r s SER 40 N 0.44 3.70 0.40 2.95 1.04 -1.26 -4.52 113.70 116.45 1p6r s SER 40 Ca -0.12 1.48 0.14 0.00 0.48 0.00 0.00 55.95 57.94 1p6r s SER 40 Cb -0.16 -2.17 0.99 0.00 0.10 0.00 0.00 66.02 64.77 1p6r s SER 40 CO 0.05 -2.49 1.87 -0.65 0.98 0.00 0.00 173.24 173.00 1p6r h PRO 41 N -1.45 0.49 0.08 4.02 0.11 -1.98 0.16 132.00 133.43 1p6r h PRO 41 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p6r h PRO 41 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1p6r h PRO 41 CO 0.55 0.32 -0.04 -0.22 -0.21 0.00 0.00 178.00 178.40 1p6r h LYS 42 N 0.50 -0.10 -0.44 1.05 3.64 -1.99 0.08 116.57 119.30 1p6r h LYS 42 Ca 0.45 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.92 1p6r h LYS 42 Cb 0.97 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.74 1p6r h LYS 42 CO -0.18 0.19 -0.05 1.15 -2.27 0.00 0.00 179.45 178.29 1p6r h THR 43 N -0.41 0.61 0.31 1.00 2.02 -1.58 0.65 112.91 115.51 1p6r h THR 43 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1p6r h THR 43 Cb 0.35 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1p6r h THR 43 CO 0.02 0.01 -0.20 0.40 0.37 0.00 0.00 175.52 176.12 1p6r h ILE 44 N 0.06 0.57 -0.92 3.11 2.04 -0.66 0.11 117.51 121.82 1p6r h ILE 44 Ca 0.22 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1p6r h ILE 44 Cb 0.33 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1p6r h ILE 44 CO -0.41 0.00 0.56 1.56 0.00 0.00 0.00 178.15 179.86 1p6r h GLN 45 N -0.50 0.89 -0.01 2.37 4.20 -0.59 0.83 115.11 122.30 1p6r h GLN 45 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1p6r h GLN 45 Cb 0.42 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1p6r h GLN 45 CO 0.02 0.59 0.00 1.15 -0.67 0.00 0.00 178.83 179.93 1p6r h THR 46 N 0.92 1.02 -0.79 -0.54 2.02 -0.29 0.07 112.91 115.32 1p6r h THR 46 Ca 0.44 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.59 1p6r h THR 46 Cb 0.40 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1p6r h THR 46 CO -0.25 0.02 0.50 0.24 0.37 0.00 0.00 175.52 176.40 1p6r h MET 47 N -0.02 0.94 0.39 6.66 2.86 0.37 0.23 114.93 126.36 1p6r h MET 47 Ca 0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1p6r h MET 47 Cb 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1p6r h MET 47 CO -0.00 0.62 -0.19 -0.07 1.06 0.00 0.00 176.91 178.34 1p6r h LEU 48 N 0.97 -0.44 -0.73 1.22 3.38 -0.68 0.18 115.31 119.21 1p6r h LEU 48 Ca 0.32 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.38 1p6r h LEU 48 Cb 0.03 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1p6r h LEU 48 CO -0.12 -0.24 0.30 0.25 0.09 0.00 0.00 178.44 178.72 1p6r h LEU 49 N -0.61 0.30 0.62 1.67 6.46 -0.68 -1.59 115.31 121.48 1p6r h LEU 49 Ca -0.05 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1p6r h LEU 49 Cb 0.45 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1p6r h LEU 49 CO 0.09 0.13 -0.39 0.03 -0.62 0.00 0.00 178.44 177.68 1p6r h ARG 50 N 0.47 -0.92 -1.12 1.25 2.47 -0.26 -2.39 114.38 113.88 1p6r h ARG 50 Ca 0.39 0.06 0.31 0.00 -1.26 0.00 0.00 59.98 59.49 1p6r h ARG 50 Cb 0.56 0.21 -0.09 0.00 -1.65 0.00 0.00 29.97 29.00 1p6r h ARG 50 CO -0.37 -0.61 0.73 -0.07 0.56 0.00 0.00 179.97 180.21 1p6r h LEU 51 N -0.95 0.34 0.45 3.04 3.38 -0.32 0.40 115.31 121.65 1p6r h LEU 51 Ca -0.08 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1p6r h LEU 51 Cb 0.77 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1p6r h LEU 51 CO 0.08 0.02 -0.21 0.40 0.09 0.00 0.00 178.44 178.81 1p6r h ILE 52 N 0.27 0.50 -0.30 1.22 2.04 -1.06 -0.99 117.51 119.19 1p6r h ILE 52 Ca 0.63 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 66.00 1p6r h ILE 52 Cb 1.83 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1p6r h ILE 52 CO -0.28 0.06 -0.29 0.11 0.00 0.00 0.00 178.15 177.75 1p6r h LYS 53 N -0.84 0.63 -1.12 2.37 1.57 -0.59 -3.23 116.57 115.35 1p6r h LYS 53 Ca -0.06 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1p6r h LYS 53 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1p6r h LYS 53 CO 0.10 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.46 1p6r n LYS 54 N -4.09 0.62 -1.00 3.15 4.76 0.13 -4.79 118.16 116.94 1p6r n LYS 54 Ca -0.01 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1p6r n LYS 54 Cb 0.46 -1.23 -0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p6r n GLY 55 N 0.52 0.44 0.00 0.72 0.00 -1.22 0.45 105.19 106.10 1p6r n GLY 55 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.00 1.97 -2.54 4.61 0.00 -0.49 -3.87 120.51 121.20 1p6r n ALA 56 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1p6r n ALA 56 Cb 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 1p6r n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p6r s LEU 57 N -3.81 2.86 0.04 0.00 1.02 -0.55 -0.34 118.68 117.90 1p6r s LEU 57 Ca 0.00 -0.93 -0.02 0.00 0.02 0.00 0.00 54.13 53.20 1p6r s LEU 57 Cb 0.00 -1.32 -0.03 0.00 0.02 0.00 0.00 46.19 44.87 1p6r s LEU 57 CO 0.00 -0.06 -0.00 0.21 0.02 0.00 0.00 176.35 176.52 1p6r s ASN 58 N -3.61 0.33 0.10 2.29 2.47 -0.68 -4.38 114.94 111.45 1p6r s ASN 58 Ca 0.32 -0.71 0.02 0.00 0.42 0.00 0.00 52.86 52.91 1p6r s ASN 58 Cb -0.03 0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 39.89 1p6r s ASN 58 CO 0.17 -0.47 -0.07 -1.38 -3.72 0.00 0.00 177.10 171.64 1p6r s HIS 59 N -2.70 0.91 0.01 0.43 -3.43 -1.26 -0.28 115.29 108.97 1p6r s HIS 59 Ca -0.04 -0.85 0.05 0.00 -0.80 0.00 0.00 55.06 53.41 1p6r s HIS 59 Cb -0.01 -0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 30.61 1p6r s HIS 59 CO -0.05 -0.12 -0.14 -1.58 -2.00 0.00 0.00 174.74 170.85 1p6r s HIS 60 N -3.34 1.25 -0.73 0.38 2.46 0.34 -4.93 115.29 110.72 1p6r s HIS 60 Ca 0.10 -0.28 -0.24 0.00 0.47 0.00 0.00 55.06 55.11 1p6r s HIS 60 Cb 0.03 -0.78 0.06 0.00 -0.13 0.00 0.00 32.58 31.76 1p6r s HIS 60 CO -0.04 0.00 1.13 -1.59 -2.47 0.00 0.00 174.74 171.77 1p6r s LYS 61 N -0.63 3.20 -1.27 2.88 -2.85 -1.26 -0.15 119.74 119.67 1p6r s LYS 61 Ca 0.04 -0.68 -0.14 0.00 -1.00 0.00 0.00 55.97 54.19 1p6r s LYS 61 Cb -0.06 -4.33 0.13 0.00 -2.06 0.00 0.00 37.83 31.51 1p6r s LYS 61 CO 0.00 -1.97 1.67 -1.91 0.10 0.00 0.00 175.35 173.24 1p6r n GLU 62 N 8.36 3.33 0.00 1.78 2.13 0.14 -4.84 120.64 131.54 1p6r n GLU 62 Ca 0.03 -3.53 0.00 0.00 0.66 0.00 0.00 57.16 54.32 1p6r n GLU 62 Cb 0.47 -3.15 0.00 0.00 0.27 0.00 0.00 31.44 29.03 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 0.13 0.13 8.31 0.00 -1.26 -2.21 105.19 114.44 1p6r n GLY 63 Ca 0.42 0.59 -0.23 0.00 0.00 0.00 0.00 46.02 46.79 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 0.62 -4.07 1.61 0.63 -1.26 -5.00 116.66 109.19 1p6r n ARG 64 Ca 0.00 0.21 -0.23 0.00 -0.92 0.00 0.00 57.85 56.91 1p6r n ARG 64 Cb 0.00 -1.51 -0.04 0.00 0.45 0.00 0.00 32.46 31.36 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 -2.51 4.66 -0.21 5.15 -7.23 -0.94 -5.11 120.40 114.20 1p6r s VAL 65 Ca -0.36 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1p6r s VAL 65 Cb 0.12 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.55 1p6r s VAL 65 CO 0.55 -0.30 -0.03 0.72 -0.31 0.00 0.00 175.10 175.74 1p6r s PHE 66 N -2.02 2.97 0.01 2.82 -0.71 -1.26 0.25 117.98 120.05 1p6r s PHE 66 Ca 0.33 -0.76 -0.22 0.00 -1.04 0.00 0.00 56.93 55.23 1p6r s PHE 66 Cb -0.09 -2.09 -0.05 0.00 -1.21 0.00 0.00 43.02 39.58 1p6r s PHE 66 CO 0.26 -0.43 0.67 0.08 -1.34 0.00 0.00 175.22 174.45 1p6r s VAL 67 N 1.28 4.84 -0.26 -2.49 1.01 0.79 -2.24 120.40 123.34 1p6r s VAL 67 Ca 0.04 1.41 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 1p6r s VAL 67 Cb -0.14 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1p6r s VAL 67 CO -0.01 0.39 0.31 -0.31 0.00 0.00 0.00 175.10 175.48 1p6r s TYR 68 N -0.09 3.26 -0.39 5.22 2.02 0.21 -0.50 117.35 127.08 1p6r s TYR 68 Ca 0.34 0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 57.27 1p6r s TYR 68 Cb -0.19 -2.49 0.03 0.00 -0.40 0.00 0.00 41.96 38.91 1p6r s TYR 68 CO 0.20 -0.15 0.23 0.95 -1.57 0.00 0.00 175.55 175.21 1p6r s THR 69 N 1.79 4.68 0.15 -0.71 -4.23 0.62 -2.94 115.64 115.01 1p6r s THR 69 Ca 0.13 -0.88 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 1p6r s THR 69 Cb -0.15 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 1p6r s THR 69 CO 0.09 -0.28 1.21 -2.16 -0.54 0.00 0.00 174.62 172.94 1p6r s PRO 70 N 1.57 4.47 0.18 3.99 0.04 -1.26 -1.69 135.00 142.28 1p6r s PRO 70 Ca 0.02 1.86 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 1p6r s PRO 70 Cb -0.20 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.14 1p6r s PRO 70 CO 0.07 -0.15 1.51 -0.97 0.04 0.00 0.00 177.00 177.50 1p6r h ASN 71 N 5.72 0.82 -2.11 6.66 -0.00 -1.01 -3.45 115.58 122.20 1p6r h ASN 71 Ca -0.44 -0.38 -0.55 0.00 -0.00 0.00 0.00 56.30 54.93 1p6r h ASN 71 Cb 1.21 -0.23 -0.09 0.00 -0.00 0.00 0.00 38.32 39.22 1p6r h ASN 71 CO 0.77 1.13 -0.61 0.27 -0.00 0.00 0.00 177.43 178.99 1p6r s ILE 72 N -4.27 3.36 0.32 2.57 -0.00 -1.24 -5.08 121.20 116.85 1p6r s ILE 72 Ca -0.09 -1.84 0.07 0.00 -0.00 0.00 0.00 60.65 58.79 1p6r s ILE 72 Cb 0.11 -2.91 -0.03 0.00 -0.00 0.00 0.00 42.46 39.64 1p6r s ILE 72 CO 0.86 -0.32 0.31 -0.62 -0.00 0.00 0.00 174.94 175.17 1p6r s ASP 73 N -3.73 5.45 0.17 4.36 2.15 -1.26 -5.02 116.67 118.79 1p6r s ASP 73 Ca 0.33 -0.40 -0.19 0.00 0.43 0.00 0.00 52.55 52.72 1p6r s ASP 73 Cb -0.05 -1.09 0.09 0.00 -0.30 0.00 0.00 42.92 41.57 1p6r s ASP 73 CO 0.21 -0.32 1.27 -0.62 -0.17 0.00 0.00 175.17 175.54 1p6r n GLU 74 N -1.39 -0.26 -0.50 4.34 1.02 -1.26 -0.76 120.64 121.82 1p6r n GLU 74 Ca -0.03 1.25 0.44 0.00 -0.02 0.00 0.00 57.16 58.80 1p6r n GLU 74 Cb 0.59 -1.85 0.76 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.49 1.62 0.02 -1.87 0.23 113.55 113.05 1p6r h SER 75 Ca 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1p6r h SER 75 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1p6r h SER 75 CO -0.80 0.00 0.33 -0.78 -1.14 0.00 0.00 176.83 174.44 1p6r h ASP 76 N 0.00 0.47 0.00 3.07 3.58 -1.34 -3.38 116.42 118.82 1p6r h ASP 76 Ca 0.74 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.19 1p6r h ASP 76 Cb 3.09 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 44.03 1p6r h ASP 76 CO -0.01 0.33 -0.93 -1.22 -2.88 0.00 0.00 179.24 174.53 1p6r n TYR 77 N -4.47 0.00 -4.02 0.28 4.02 0.28 -4.44 117.16 108.81 1p6r n TYR 77 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.63 1p6r n TYR 77 Cb 0.15 0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 1p6r n TYR 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1p6r s ILE 78 N -1.98 1.80 -0.69 -0.72 -1.09 0.54 -5.08 121.20 113.98 1p6r s ILE 78 Ca 0.00 -1.19 -0.26 0.00 -2.23 0.00 0.00 60.65 56.97 1p6r s ILE 78 Cb 0.00 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1p6r s ILE 78 CO 0.00 0.12 1.61 -0.70 -1.23 0.00 0.00 174.94 174.74 1p6r s GLU 79 N 1.31 2.89 0.47 2.79 2.56 -1.26 -2.47 118.70 124.99 1p6r s GLU 79 Ca -0.03 0.16 -0.22 0.00 0.00 0.00 0.00 54.97 54.88 1p6r s GLU 79 Cb -0.17 -4.37 -0.08 0.00 2.00 0.00 0.00 34.13 31.51 1p6r s GLU 79 CO -0.08 -2.50 1.09 0.54 -0.56 0.00 0.00 175.26 173.75 1p6r s VAL 80 N 7.60 3.50 0.16 3.70 0.11 -1.26 -5.00 120.40 129.22 1p6r s VAL 80 Ca 0.53 1.03 -0.05 0.00 -2.93 0.00 0.00 61.98 60.56 1p6r s VAL 80 Cb -0.10 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1p6r s VAL 80 CO 0.16 -0.11 0.19 -0.54 -3.33 0.00 0.00 175.10 171.47 1p6r s LYS 81 N -2.95 1.11 0.00 1.54 1.02 -1.26 -5.00 119.74 114.20 1p6r s LYS 81 Ca 0.65 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1p6r s LYS 81 Cb -0.22 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1p6r s LYS 81 CO 0.26 -0.37 0.00 -1.13 -0.92 0.00 0.00 175.35 173.19