#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 2.67 -3.65 0.03 5.02 -0.67 -4.80 118.16 116.76 1p6r n LYS 2 Ca 0.00 -2.35 -0.37 0.00 -2.02 0.00 0.00 58.31 53.57 1p6r n LYS 2 Cb 0.00 -3.12 -0.07 0.00 -0.02 0.00 0.00 35.03 31.82 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 3.42 3.08 0.39 1.97 2.36 -1.21 -0.66 119.74 129.09 1p6r s LYS 3 Ca 0.52 -3.04 -0.25 0.00 -2.55 0.00 0.00 55.97 50.65 1p6r s LYS 3 Cb 0.14 -3.91 -0.09 0.00 -1.05 0.00 0.00 37.83 32.93 1p6r s LYS 3 CO -0.04 -1.24 1.08 0.42 1.55 0.00 0.00 175.35 177.11 1p6r s ILE 4 N -0.94 3.58 0.01 5.43 1.09 -0.33 -4.93 121.20 125.11 1p6r s ILE 4 Ca 0.24 1.26 -0.36 0.00 -1.10 0.00 0.00 60.65 60.69 1p6r s ILE 4 Cb -0.11 -3.68 -0.15 0.00 -1.06 0.00 0.00 42.46 37.46 1p6r s ILE 4 CO -0.10 0.06 1.55 -0.81 -0.10 0.00 0.00 174.94 175.54 1p6r n PRO 5 N 0.06 1.53 -1.20 2.79 -0.04 -1.26 -4.66 135.00 132.22 1p6r n PRO 5 Ca 0.04 0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 63.63 1p6r n PRO 5 Cb 0.49 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1p6r n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6r n GLN 6 N 3.81 1.52 -2.68 0.54 0.00 -1.26 -4.88 117.38 114.43 1p6r n GLN 6 Ca 0.20 -1.88 -0.43 0.00 0.00 0.00 0.00 57.00 54.89 1p6r n GLN 6 Cb 0.22 -2.96 -0.02 0.00 0.00 0.00 0.00 30.24 27.48 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 5.24 4.59 0.97 -0.39 -1.09 -1.26 -5.05 121.20 124.21 1p6r s ILE 7 Ca 0.58 1.77 -0.16 0.00 -2.23 0.00 0.00 60.65 60.61 1p6r s ILE 7 Cb 0.14 -4.35 0.19 0.00 -1.58 0.00 0.00 42.46 36.85 1p6r s ILE 7 CO 0.12 -0.36 1.26 -0.94 -1.23 0.00 0.00 174.94 173.79 1p6r s SER 8 N 1.51 3.05 0.11 3.58 1.04 -1.26 -4.78 113.70 116.95 1p6r s SER 8 Ca 0.44 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 57.08 1p6r s SER 8 Cb -0.13 -0.59 -0.09 0.00 0.10 0.00 0.00 66.02 65.31 1p6r s SER 8 CO 0.12 -2.79 1.72 -2.24 0.98 0.00 0.00 173.24 171.03 1p6r h ASP 9 N -1.67 -0.12 -0.18 7.02 2.03 -1.98 0.22 116.42 121.73 1p6r h ASP 9 Ca -0.45 0.03 0.03 0.00 -0.73 0.00 0.00 57.03 55.91 1p6r h ASP 9 Cb 1.26 0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 39.81 1p6r h ASP 9 CO 0.43 -0.05 0.02 0.00 -1.03 0.00 0.00 179.24 178.61 1p6r h ALA 10 N 1.07 0.17 -0.82 4.15 0.00 -2.00 0.29 119.26 122.12 1p6r h ALA 10 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1p6r h ALA 10 Cb 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1p6r h ALA 10 CO -0.11 -0.42 0.52 0.93 0.00 0.00 0.00 179.25 180.17 1p6r h GLU 11 N 0.09 0.96 -0.26 0.00 5.08 -1.87 -2.07 114.58 116.50 1p6r h GLU 11 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1p6r h GLU 11 Cb 0.09 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1p6r h GLU 11 CO -0.12 0.63 0.12 1.25 -1.00 0.00 0.00 179.01 179.89 1p6r h LEU 12 N 0.99 0.34 -0.41 1.33 7.12 0.49 0.29 115.31 125.46 1p6r h LEU 12 Ca 0.34 -0.13 0.08 0.00 0.13 0.00 0.00 57.88 58.31 1p6r h LEU 12 Cb 0.07 -0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.03 1p6r h LEU 12 CO -0.14 0.38 -0.17 -0.33 -0.13 0.00 0.00 178.44 178.05 1p6r h GLU 13 N 0.29 -0.09 -0.18 1.25 4.39 -0.60 0.18 114.58 119.82 1p6r h GLU 13 Ca 0.09 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.85 1p6r h GLU 13 Cb 0.12 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 1p6r h GLU 13 CO -0.01 -0.06 -0.18 0.28 -1.16 0.00 0.00 179.01 177.88 1p6r h VAL 14 N -0.09 0.52 -0.07 3.13 2.07 -1.01 0.89 116.25 121.69 1p6r h VAL 14 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1p6r h VAL 14 Cb 0.39 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1p6r h VAL 14 CO -0.47 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.34 1p6r h MET 15 N -0.20 -0.00 -0.38 1.57 2.86 0.14 -0.40 114.93 118.52 1p6r h MET 15 Ca 0.11 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1p6r h MET 15 Cb 0.37 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1p6r h MET 15 CO -0.30 -0.00 0.02 -0.22 1.06 0.00 0.00 176.91 177.47 1p6r h LYS 16 N -0.00 0.12 0.39 1.72 3.64 -0.41 0.26 116.57 122.29 1p6r h LYS 16 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1p6r h LYS 16 Cb 0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1p6r h LYS 16 CO -0.08 0.08 -0.39 0.28 -2.27 0.00 0.00 179.45 177.07 1p6r h VAL 17 N 0.12 0.21 -0.63 2.00 2.07 -0.39 -2.77 116.25 116.86 1p6r h VAL 17 Ca 0.18 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.79 1p6r h VAL 17 Cb 0.25 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 1p6r h VAL 17 CO -0.29 0.00 0.28 0.40 0.02 0.00 0.00 177.57 177.98 1p6r h ILE 18 N -0.80 0.83 0.00 4.57 2.04 -0.61 -1.40 117.51 122.14 1p6r h ILE 18 Ca -0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1p6r h ILE 18 Cb 0.71 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1p6r h ILE 18 CO -0.06 0.09 0.18 -0.50 0.00 0.00 0.00 178.15 177.86 1p6r h TRP 19 N 0.50 0.00 0.00 1.37 6.55 -0.23 0.27 115.95 124.41 1p6r h TRP 19 Ca 0.31 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 60.01 1p6r h TRP 19 Cb 0.34 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 1p6r h TRP 19 CO -0.13 0.00 -0.67 0.87 -1.05 0.00 0.00 178.44 177.46 1p6r h LYS 20 N 0.00 0.00 -6.54 0.49 1.79 -1.04 -3.46 116.57 107.81 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 0.37 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1p6r h LYS 20 CO 0.00 0.67 -0.19 -1.01 -1.08 0.00 0.00 179.45 177.83 1p6r s HIS 21 N -3.48 3.26 -0.00 -1.35 3.76 0.08 -5.04 115.29 112.52 1p6r s HIS 21 Ca -0.01 0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.80 1p6r s HIS 21 Cb 0.12 -2.11 -0.13 0.00 1.11 0.00 0.00 32.58 31.58 1p6r s HIS 21 CO 0.77 -0.13 0.96 0.66 -0.85 0.00 0.00 174.74 176.14 1p6r h SER 22 N 0.64 -0.68 -0.39 1.40 4.64 -1.89 -3.47 113.55 113.80 1p6r h SER 22 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1p6r h SER 22 Cb 1.25 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1p6r h SER 22 CO 0.57 -0.28 0.00 -1.20 -0.87 0.00 0.00 176.83 175.05 1p6r n SER 23 N -5.31 0.77 -3.69 4.97 7.64 -1.26 -4.64 113.62 112.10 1p6r n SER 23 Ca -0.10 -0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.64 1p6r n SER 23 Cb 0.32 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.23 0.01 0.60 0.44 2.07 -0.45 -4.96 121.20 118.68 1p6r s ILE 24 Ca 0.00 -0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.06 1p6r s ILE 24 Cb 0.00 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1p6r s ILE 24 CO 0.00 -0.05 0.97 0.54 -1.91 0.00 0.00 174.94 174.49 1p6r s ASN 25 N -0.22 6.05 0.34 4.50 2.20 -1.26 -0.60 114.94 125.95 1p6r s ASN 25 Ca -0.04 1.18 0.03 0.00 -0.94 0.00 0.00 52.86 53.09 1p6r s ASN 25 Cb -0.03 -2.25 0.61 0.00 -2.00 0.00 0.00 41.25 37.57 1p6r s ASN 25 CO 0.03 -0.89 1.95 0.74 -2.94 0.00 0.00 177.10 175.98 1p6r h THR 26 N -0.22 1.18 0.10 0.54 2.02 -1.18 0.12 112.91 115.46 1p6r h THR 26 Ca -0.45 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 1p6r h THR 26 Cb 1.21 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1p6r h THR 26 CO 0.62 0.21 -0.05 -1.13 0.37 0.00 0.00 175.52 175.54 1p6r h ASN 27 N 0.73 -0.12 -0.27 4.18 -0.73 -1.94 -0.33 115.58 117.11 1p6r h ASN 27 Ca 0.18 -0.16 0.06 0.00 1.87 0.00 0.00 56.30 58.26 1p6r h ASN 27 Cb 0.08 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.64 1p6r h ASN 27 CO -0.02 0.09 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.63 1p6r h GLU 28 N -0.32 -0.13 0.39 6.67 5.08 -1.87 0.01 114.58 124.41 1p6r h GLU 28 Ca -0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1p6r h GLU 28 Cb 0.27 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1p6r h GLU 28 CO 0.02 -0.09 -0.22 -0.24 -1.00 0.00 0.00 179.01 177.48 1p6r h VAL 29 N -0.14 0.55 -0.20 3.13 3.04 -0.64 0.47 116.25 122.45 1p6r h VAL 29 Ca 0.14 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.86 1p6r h VAL 29 Cb 0.36 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 1p6r h VAL 29 CO -0.35 0.00 0.05 0.40 -1.01 0.00 0.00 177.57 176.66 1p6r h ILE 30 N -0.57 0.93 0.18 3.17 2.04 -0.82 0.56 117.51 123.01 1p6r h ILE 30 Ca -0.05 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1p6r h ILE 30 Cb 0.46 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1p6r h ILE 30 CO 0.06 0.03 -0.33 0.50 0.00 0.00 0.00 178.15 178.41 1p6r h LYS 31 N 0.14 -0.58 0.33 2.37 1.63 -0.85 0.48 116.57 120.09 1p6r h LYS 31 Ca 0.09 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1p6r h LYS 31 Cb 0.07 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1p6r h LYS 31 CO -0.10 -0.38 -0.29 1.49 -3.45 0.00 0.00 179.45 176.71 1p6r h GLU 32 N -0.60 -0.61 -0.15 1.90 4.81 -0.62 -0.95 114.58 118.36 1p6r h GLU 32 Ca 0.01 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1p6r h GLU 32 Cb 0.60 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1p6r h GLU 32 CO -0.15 -0.41 -0.12 -0.07 -0.73 0.00 0.00 179.01 177.53 1p6r h LEU 33 N -0.63 -0.37 -0.90 1.64 4.07 -0.82 -0.42 115.31 117.88 1p6r h LEU 33 Ca -0.02 0.08 0.15 0.00 0.08 0.00 0.00 57.88 58.16 1p6r h LEU 33 Cb 0.56 0.19 -0.09 0.00 1.08 0.00 0.00 40.66 42.40 1p6r h LEU 33 CO -0.03 -0.16 0.50 0.28 -1.08 0.00 0.00 178.44 177.95 1p6r h SER 34 N -0.13 0.64 -0.06 -0.43 0.02 -0.67 0.93 113.55 113.85 1p6r h SER 34 Ca 0.09 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1p6r h SER 34 Cb 0.27 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1p6r h SER 34 CO -0.23 0.28 0.02 0.11 -1.14 0.00 0.00 176.83 175.87 1p6r h LYS 35 N 0.71 0.09 -0.45 3.45 6.56 -0.16 -3.25 116.57 123.52 1p6r h LYS 35 Ca 0.48 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 60.02 1p6r h LYS 35 Cb 0.65 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.28 1p6r h LYS 35 CO -0.34 0.26 0.14 1.79 -2.06 0.00 0.00 179.45 179.24 1p6r h THR 36 N -0.10 1.22 -3.09 -0.16 1.35 0.18 -3.44 112.91 108.88 1p6r h THR 36 Ca 0.02 -0.74 -0.16 0.00 -0.55 0.00 0.00 66.41 64.98 1p6r h THR 36 Cb 0.21 0.85 -0.25 0.00 -1.73 0.00 0.00 68.15 67.22 1p6r h THR 36 CO -0.00 0.27 -0.40 -0.44 -0.25 0.00 0.00 175.52 174.69 1p6r s SER 37 N -6.01 -0.28 -1.09 5.36 0.01 0.19 -5.07 113.70 106.82 1p6r s SER 37 Ca -0.13 0.54 -0.11 0.00 1.31 0.00 0.00 55.95 57.56 1p6r s SER 37 Cb 0.11 0.55 -0.07 0.00 0.21 0.00 0.00 66.02 66.81 1p6r s SER 37 CO 0.77 -0.09 2.25 0.35 0.41 0.00 0.00 173.24 176.93 1p6r n THR 38 N 2.93 2.79 -3.13 1.44 -2.24 -1.23 -3.72 114.28 111.12 1p6r n THR 38 Ca -0.13 -1.91 -0.39 0.00 -2.27 0.00 0.00 64.05 59.36 1p6r n THR 38 Cb 0.58 -2.33 -0.05 0.00 -2.10 0.00 0.00 70.33 66.43 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 3.52 3.63 0.81 4.78 0.51 -1.26 -5.06 118.94 125.86 1p6r s TRP 39 Ca 0.51 1.22 -0.11 0.00 -2.12 0.00 0.00 56.10 55.59 1p6r s TRP 39 Cb 0.13 -2.71 0.08 0.00 -0.81 0.00 0.00 33.47 30.17 1p6r s TRP 39 CO -0.01 0.21 1.12 -1.54 -0.51 0.00 0.00 176.95 176.22 1p6r s SER 40 N 0.32 3.99 0.25 2.95 1.04 -1.26 -4.60 113.70 116.38 1p6r s SER 40 Ca 0.34 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.71 1p6r s SER 40 Cb -0.18 -2.54 0.49 0.00 0.10 0.00 0.00 66.02 63.89 1p6r s SER 40 CO 0.17 -2.38 1.70 -0.65 0.98 0.00 0.00 173.24 173.06 1p6r h PRO 41 N -1.27 0.32 -0.29 4.02 0.11 -1.97 0.96 132.00 133.87 1p6r h PRO 41 Ca -0.44 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1p6r h PRO 41 Cb 1.25 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1p6r h PRO 41 CO 0.48 0.21 0.12 0.87 -0.21 0.00 0.00 178.00 179.47 1p6r h LYS 42 N 0.33 0.25 0.12 1.05 1.57 -1.98 0.17 116.57 118.07 1p6r h LYS 42 Ca 0.43 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1p6r h LYS 42 Cb 0.73 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1p6r h LYS 42 CO -0.48 0.16 -0.22 1.15 -0.57 0.00 0.00 179.45 179.49 1p6r h THR 43 N 0.26 0.50 -0.35 -0.16 2.02 -1.42 0.73 112.91 114.49 1p6r h THR 43 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1p6r h THR 43 Cb 0.08 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1p6r h THR 43 CO -0.12 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.20 1p6r h ILE 44 N -0.42 0.77 -0.96 3.11 2.04 -0.52 0.25 117.51 121.77 1p6r h ILE 44 Ca 0.03 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1p6r h ILE 44 Cb 0.44 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1p6r h ILE 44 CO -0.12 0.02 0.64 1.56 0.00 0.00 0.00 178.15 180.25 1p6r h GLN 45 N 0.13 1.26 0.00 2.37 4.20 -0.42 0.70 115.11 123.36 1p6r h GLN 45 Ca 0.17 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1p6r h GLN 45 Cb 0.22 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1p6r h GLN 45 CO -0.26 0.83 -0.00 1.15 -0.67 0.00 0.00 178.83 179.88 1p6r h THR 46 N 1.30 1.07 -0.08 -0.54 2.02 0.29 0.85 112.91 117.82 1p6r h THR 46 Ca 0.36 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1p6r h THR 46 Cb -0.14 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1p6r h THR 46 CO -0.08 0.06 -0.14 0.24 0.37 0.00 0.00 175.52 175.96 1p6r h MET 47 N -0.10 -0.19 0.02 6.66 2.86 -0.47 0.62 114.93 124.33 1p6r h MET 47 Ca -0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1p6r h MET 47 Cb 0.10 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1p6r h MET 47 CO 0.00 -0.13 -0.32 -0.07 1.06 0.00 0.00 176.91 177.45 1p6r h LEU 48 N -0.19 -0.96 -0.53 1.22 3.38 -0.77 -1.98 115.31 115.49 1p6r h LEU 48 Ca 0.07 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1p6r h LEU 48 Cb 0.30 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1p6r h LEU 48 CO -0.19 -0.39 -0.02 0.25 0.09 0.00 0.00 178.44 178.18 1p6r h LEU 49 N -0.49 -0.26 0.49 1.67 6.46 -0.42 0.11 115.31 122.86 1p6r h LEU 49 Ca 0.06 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1p6r h LEU 49 Cb 0.56 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1p6r h LEU 49 CO -0.25 -0.09 -0.44 0.03 -0.62 0.00 0.00 178.44 177.06 1p6r h ARG 50 N 0.10 -0.88 -0.42 1.25 2.47 -0.45 0.15 114.38 116.61 1p6r h ARG 50 Ca 0.27 0.06 0.09 0.00 -1.26 0.00 0.00 59.98 59.13 1p6r h ARG 50 Cb 0.41 0.20 -0.08 0.00 -1.65 0.00 0.00 29.97 28.85 1p6r h ARG 50 CO -0.46 -0.59 -0.13 -0.07 0.56 0.00 0.00 179.97 179.29 1p6r h LEU 51 N -0.91 -0.47 -0.02 3.04 4.07 -1.09 0.06 115.31 120.00 1p6r h LEU 51 Ca -0.06 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1p6r h LEU 51 Cb 0.78 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 1p6r h LEU 51 CO -0.03 -0.17 -0.18 0.40 -1.08 0.00 0.00 178.44 177.38 1p6r h ILE 52 N -0.04 0.56 -0.98 1.22 2.04 -0.59 0.22 117.51 119.94 1p6r h ILE 52 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 1p6r h ILE 52 Cb 0.34 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1p6r h ILE 52 CO -0.45 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.44 1p6r h LYS 53 N -0.29 1.08 0.00 2.37 1.57 -0.44 0.34 116.57 121.20 1p6r h LYS 53 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p6r h LYS 53 Cb 0.37 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1p6r h LYS 53 CO -0.18 0.72 0.00 1.17 -0.57 0.00 0.00 179.45 180.58 1p6r n LYS 54 N -4.54 0.87 -1.81 3.15 0.00 -0.04 -4.87 118.16 110.92 1p6r n LYS 54 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.32 1p6r n LYS 54 Cb 0.21 -1.16 -0.04 0.00 0.00 0.00 0.00 35.03 34.04 1p6r n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p6r n GLY 55 N 0.48 0.75 0.09 3.14 0.00 0.11 -4.82 105.19 104.94 1p6r n GLY 55 Ca 0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.31 -0.09 -2.34 4.61 0.00 -0.80 -3.41 119.26 117.55 1p6r h ALA 56 Ca -0.33 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 53.69 1p6r h ALA 56 Cb 1.10 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 1p6r h ALA 56 CO 0.44 -0.22 -0.74 -0.51 0.00 0.00 0.00 179.25 178.22 1p6r s LEU 57 N -8.92 2.74 0.07 0.00 1.02 -1.24 -0.28 118.68 112.05 1p6r s LEU 57 Ca -0.15 -0.90 0.05 0.00 0.02 0.00 0.00 54.13 53.14 1p6r s LEU 57 Cb 0.00 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 1p6r s LEU 57 CO 0.59 0.04 -0.13 0.20 0.02 0.00 0.00 176.35 177.07 1p6r s ASN 58 N -3.43 1.56 0.09 2.29 0.02 -0.03 -4.35 114.94 111.09 1p6r s ASN 58 Ca 0.29 -0.61 0.02 0.00 -1.02 0.00 0.00 52.86 51.54 1p6r s ASN 58 Cb -0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 41.25 41.14 1p6r s ASN 58 CO 0.16 -0.09 -0.07 -1.38 0.02 0.00 0.00 177.10 175.73 1p6r s HIS 59 N -1.29 0.88 0.04 2.20 -3.43 -1.26 -0.40 115.29 112.02 1p6r s HIS 59 Ca -0.03 -0.84 0.06 0.00 -0.80 0.00 0.00 55.06 53.45 1p6r s HIS 59 Cb -0.10 -0.51 -0.02 0.00 -1.43 0.00 0.00 32.58 30.52 1p6r s HIS 59 CO 0.02 -0.13 -0.18 -1.58 -2.00 0.00 0.00 174.74 170.87 1p6r s HIS 60 N -3.27 1.62 -0.92 0.38 2.46 -0.08 -4.96 115.29 110.51 1p6r s HIS 60 Ca 0.09 -0.36 -0.22 0.00 0.47 0.00 0.00 55.06 55.04 1p6r s HIS 60 Cb 0.03 -0.96 0.08 0.00 -0.13 0.00 0.00 32.58 31.59 1p6r s HIS 60 CO -0.04 0.07 1.26 0.21 -2.47 0.00 0.00 174.74 173.78 1p6r s LYS 61 N -1.13 3.51 -1.27 2.88 2.36 -1.26 -0.32 119.74 124.50 1p6r s LYS 61 Ca 0.06 -1.25 -0.14 0.00 -2.55 0.00 0.00 55.97 52.08 1p6r s LYS 61 Cb -0.08 -4.97 0.13 0.00 -1.05 0.00 0.00 37.83 31.86 1p6r s LYS 61 CO 0.02 -2.00 1.66 -1.91 1.55 0.00 0.00 175.35 174.67 1p6r n GLU 62 N 7.93 3.32 0.00 4.03 2.13 -1.03 -4.77 120.64 132.25 1p6r n GLU 62 Ca 0.23 -3.53 0.00 0.00 0.66 0.00 0.00 57.16 54.52 1p6r n GLU 62 Cb 0.50 -3.18 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 4.26 0.61 0.90 8.31 0.00 -1.26 -3.56 105.19 114.45 1p6r n GLY 63 Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 0.04 -4.07 1.61 3.00 -1.26 -5.06 116.66 110.92 1p6r n ARG 64 Ca 0.00 0.02 -0.33 0.00 -0.01 0.00 0.00 57.85 57.53 1p6r n ARG 64 Cb 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 32.46 32.02 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 -1.62 4.79 0.34 1.55 -7.23 -1.23 -5.10 120.40 111.90 1p6r s VAL 65 Ca -0.02 -0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 1p6r s VAL 65 Cb 0.00 -3.22 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 1p6r s VAL 65 CO 0.03 0.31 0.87 0.72 -0.31 0.00 0.00 175.10 176.71 1p6r s PHE 66 N -1.25 3.50 -0.19 2.82 -0.71 -1.26 -2.46 117.98 118.42 1p6r s PHE 66 Ca 0.25 1.54 -0.05 0.00 -1.04 0.00 0.00 56.93 57.63 1p6r s PHE 66 Cb -0.12 -2.77 -0.02 0.00 -1.21 0.00 0.00 43.02 38.90 1p6r s PHE 66 CO 0.16 0.11 -0.01 0.08 -1.34 0.00 0.00 175.22 174.22 1p6r s VAL 67 N -1.86 3.95 -0.19 -2.49 1.01 0.56 -0.64 120.40 120.75 1p6r s VAL 67 Ca 0.54 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1p6r s VAL 67 Cb -0.13 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1p6r s VAL 67 CO 0.18 0.44 0.21 -0.31 0.00 0.00 0.00 175.10 175.63 1p6r s TYR 68 N 0.87 3.41 -0.08 5.22 2.02 0.23 -0.90 117.35 128.11 1p6r s TYR 68 Ca 0.01 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1p6r s TYR 68 Cb -0.14 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1p6r s TYR 68 CO 0.02 0.21 -0.15 0.99 -1.57 0.00 0.00 175.55 175.05 1p6r s THR 69 N 0.59 2.94 0.15 -0.71 2.01 0.46 -1.34 115.64 119.75 1p6r s THR 69 Ca 0.12 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1p6r s THR 69 Cb -0.12 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.10 1p6r s THR 69 CO 0.02 0.56 1.69 -2.84 -0.69 0.00 0.00 174.62 173.36 1p6r s PRO 70 N -0.21 4.17 -0.02 4.92 0.02 -1.26 -0.85 135.00 141.77 1p6r s PRO 70 Ca 0.00 2.49 0.13 0.00 0.02 0.00 0.00 61.00 63.64 1p6r s PRO 70 Cb -0.13 -3.30 -0.22 0.00 0.02 0.00 0.00 34.50 30.87 1p6r s PRO 70 CO 0.03 -0.73 0.72 -0.97 -0.33 0.00 0.00 177.00 175.73 1p6r h ASN 71 N 7.45 0.00 -3.29 2.53 -1.24 -0.92 -3.45 115.58 116.66 1p6r h ASN 71 Ca -0.43 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 55.93 1p6r h ASN 71 Cb 1.21 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.12 1p6r h ASN 71 CO 0.94 0.95 -0.70 0.27 -1.29 0.00 0.00 177.43 177.61 1p6r s ILE 72 N -2.64 3.63 0.42 2.57 -0.00 -0.58 -4.99 121.20 119.60 1p6r s ILE 72 Ca -0.04 -1.26 0.05 0.00 -0.00 0.00 0.00 60.65 59.40 1p6r s ILE 72 Cb 0.08 -2.75 0.01 0.00 -0.00 0.00 0.00 42.46 39.80 1p6r s ILE 72 CO 0.82 0.04 0.59 1.51 -0.00 0.00 0.00 174.94 177.90 1p6r s ASP 73 N -2.47 5.72 0.22 4.36 -4.77 -1.26 -4.99 116.67 113.47 1p6r s ASP 73 Ca 0.24 -0.18 -0.12 0.00 -3.30 0.00 0.00 52.55 49.20 1p6r s ASP 73 Cb -0.11 -1.00 0.29 0.00 -1.09 0.00 0.00 42.92 41.01 1p6r s ASP 73 CO 0.16 -0.71 1.62 1.05 0.70 0.00 0.00 175.17 177.99 1p6r h GLU 74 N 0.59 0.02 -0.03 2.11 4.11 -1.99 0.30 114.58 119.68 1p6r h GLU 74 Ca -0.43 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.01 1p6r h GLU 74 Cb 1.27 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1p6r h GLU 74 CO 0.50 0.01 0.16 0.77 0.07 0.00 0.00 179.01 180.53 1p6r h SER 75 N 0.02 0.00 0.89 3.06 0.02 -2.05 -0.55 113.55 114.94 1p6r h SER 75 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1p6r h SER 75 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1p6r h SER 75 CO -0.68 0.00 0.00 -0.78 -1.14 0.00 0.00 176.83 174.23 1p6r h ASP 76 N 0.00 0.00 0.00 3.07 3.58 -1.31 -3.37 116.42 118.38 1p6r h ASP 76 Ca 0.01 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.94 1p6r h ASP 76 Cb 0.33 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.41 1p6r h ASP 76 CO -0.00 0.00 3.24 0.00 -2.88 0.00 0.00 179.24 179.60 1p6r n TYR 77 N -2.83 1.90 -3.73 0.28 9.36 -0.22 -4.66 117.16 117.26 1p6r n TYR 77 Ca 0.01 -2.53 -0.37 0.00 3.32 0.00 0.00 57.90 58.33 1p6r n TYR 77 Cb 0.27 -2.09 -0.10 0.00 -0.63 0.00 0.00 39.34 36.79 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 2.80 3.58 -0.75 2.97 1.01 -1.26 -5.04 121.20 124.51 1p6r s ILE 78 Ca 0.55 -2.51 -0.26 0.00 0.00 0.00 0.00 60.65 58.42 1p6r s ILE 78 Cb 0.14 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1p6r s ILE 78 CO -0.05 -0.80 1.69 -0.70 0.00 0.00 0.00 174.94 175.09 1p6r s GLU 79 N 0.52 2.86 -0.03 2.79 -6.30 -1.26 -4.71 118.70 112.57 1p6r s GLU 79 Ca 0.13 0.03 0.04 0.00 -2.50 0.00 0.00 54.97 52.67 1p6r s GLU 79 Cb -0.22 -4.58 -0.03 0.00 0.00 0.00 0.00 34.13 29.30 1p6r s GLU 79 CO -0.04 -2.66 -0.15 0.08 0.02 0.00 0.00 175.26 172.51 1p6r s VAL 80 N 8.00 3.03 -0.58 3.70 1.01 -1.26 -5.00 120.40 129.30 1p6r s VAL 80 Ca 0.57 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1p6r s VAL 80 Cb -0.09 -2.21 0.22 0.00 0.00 0.00 0.00 36.38 34.30 1p6r s VAL 80 CO 0.12 0.53 0.60 2.29 0.00 0.00 0.00 175.10 178.64 1p6r n LYS 81 N 2.12 1.76 0.00 2.72 0.00 -1.16 -1.18 118.16 122.42 1p6r n LYS 81 Ca -0.17 -4.19 0.00 0.00 -0.00 0.00 0.00 58.31 53.95 1p6r n LYS 81 Cb 0.52 -2.00 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83