#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 4.17 0.01 0.03 2.20 -1.26 -3.70 119.74 121.20 1p6r s LYS 2 Ca 0.00 2.48 -0.06 0.00 -0.36 0.00 0.00 55.97 58.03 1p6r s LYS 2 Cb 0.00 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1p6r s LYS 2 CO 0.00 -0.76 0.11 0.21 -0.36 0.00 0.00 175.35 174.55 1p6r s LYS 3 N 2.23 0.50 0.30 4.03 2.20 0.28 -4.94 119.74 124.34 1p6r s LYS 3 Ca 0.76 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 1p6r s LYS 3 Cb -0.44 0.20 -0.11 0.00 -1.51 0.00 0.00 37.83 35.97 1p6r s LYS 3 CO 0.34 -0.12 1.47 -1.50 -0.36 0.00 0.00 175.35 175.18 1p6r s ILE 4 N -1.74 2.39 -0.14 5.43 1.10 -1.25 -4.70 121.20 122.30 1p6r s ILE 4 Ca -0.12 0.35 -0.29 0.00 -0.51 0.00 0.00 60.65 60.08 1p6r s ILE 4 Cb -0.06 -3.22 -0.06 0.00 0.15 0.00 0.00 42.46 39.26 1p6r s ILE 4 CO -0.00 0.06 2.14 -2.84 -2.11 0.00 0.00 174.94 172.19 1p6r s PRO 5 N -0.91 3.46 -1.25 3.50 0.02 -1.26 -4.85 135.00 133.69 1p6r s PRO 5 Ca 0.58 2.21 -0.12 0.00 0.02 0.00 0.00 61.00 63.69 1p6r s PRO 5 Cb -0.44 -4.30 0.16 0.00 0.02 0.00 0.00 34.50 29.93 1p6r s PRO 5 CO 0.49 -1.74 1.66 1.04 -0.33 0.00 0.00 177.00 178.13 1p6r n GLN 6 N 8.36 3.44 -3.35 5.54 1.13 -1.26 -4.52 117.38 126.72 1p6r n GLN 6 Ca 0.27 -3.64 -0.38 0.00 -1.94 0.00 0.00 57.00 51.30 1p6r n GLN 6 Cb 0.44 -3.03 -0.06 0.00 0.11 0.00 0.00 30.24 27.69 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 1.33 5.01 0.26 5.09 -1.09 -1.26 -5.11 121.20 125.43 1p6r s ILE 7 Ca 0.42 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1p6r s ILE 7 Cb 0.03 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1p6r s ILE 7 CO 0.00 0.47 0.43 -0.94 -1.23 0.00 0.00 174.94 173.67 1p6r s SER 8 N -0.38 6.34 0.27 3.58 1.04 -1.26 -4.93 113.70 118.36 1p6r s SER 8 Ca 0.26 0.32 0.01 0.00 0.48 0.00 0.00 55.95 57.02 1p6r s SER 8 Cb -0.17 -1.97 0.61 0.00 0.10 0.00 0.00 66.02 64.59 1p6r s SER 8 CO 0.14 -0.13 1.74 -0.78 0.98 0.00 0.00 173.24 175.19 1p6r h ASP 9 N 1.38 0.48 -0.92 7.02 3.58 -1.99 0.12 116.42 126.09 1p6r h ASP 9 Ca -0.50 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.15 1p6r h ASP 9 Cb 1.21 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 42.24 1p6r h ASP 9 CO 0.64 0.15 0.57 0.00 -2.88 0.00 0.00 179.24 177.71 1p6r h ALA 10 N 1.61 1.30 -0.17 -0.78 0.00 -2.01 -0.11 119.26 119.10 1p6r h ALA 10 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.30 1p6r h ALA 10 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1p6r h ALA 10 CO -0.42 0.27 -0.34 0.93 0.00 0.00 0.00 179.25 179.69 1p6r h GLU 11 N 0.99 0.54 -1.01 0.00 5.08 -1.34 -3.21 114.58 115.63 1p6r h GLU 11 Ca 0.42 -0.34 0.21 0.00 -1.00 0.00 0.00 59.36 58.64 1p6r h GLU 11 Cb 0.27 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 1p6r h GLU 11 CO -0.21 0.95 0.61 1.25 -1.00 0.00 0.00 179.01 180.61 1p6r h LEU 12 N 0.19 0.76 -0.57 1.33 5.85 0.36 0.20 115.31 123.42 1p6r h LEU 12 Ca 0.01 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1p6r h LEU 12 Cb 0.93 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 1p6r h LEU 12 CO 0.08 0.23 0.10 -0.33 -0.34 0.00 0.00 178.44 178.18 1p6r h GLU 13 N 0.72 0.22 -0.42 1.25 4.39 -1.07 0.17 114.58 119.84 1p6r h GLU 13 Ca 0.60 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 60.19 1p6r h GLU 13 Cb 0.99 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1p6r h GLU 13 CO -0.41 0.15 -0.11 -0.39 -1.16 0.00 0.00 179.01 177.08 1p6r h VAL 14 N 0.23 1.27 -0.07 3.13 -1.51 -0.76 -0.45 116.25 118.10 1p6r h VAL 14 Ca 0.30 -1.22 0.03 0.00 -1.23 0.00 0.00 66.70 64.58 1p6r h VAL 14 Cb 0.44 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 1p6r h VAL 14 CO -0.40 0.41 -0.15 0.24 -1.23 0.00 0.00 177.57 176.45 1p6r h MET 15 N 0.65 -0.21 -0.15 5.19 2.86 -0.56 0.64 114.93 123.35 1p6r h MET 15 Ca 0.11 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1p6r h MET 15 Cb 0.65 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.30 1p6r h MET 15 CO 0.04 -0.14 -0.20 -0.22 1.06 0.00 0.00 176.91 177.45 1p6r h LYS 16 N -0.22 -0.24 0.28 1.72 3.64 -0.52 0.16 116.57 121.39 1p6r h LYS 16 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1p6r h LYS 16 Cb 0.32 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1p6r h LYS 16 CO -0.19 -0.16 -0.28 0.28 -2.27 0.00 0.00 179.45 176.83 1p6r h VAL 17 N -0.25 0.41 -0.50 2.00 2.07 -0.77 -3.06 116.25 116.15 1p6r h VAL 17 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1p6r h VAL 17 Cb 0.41 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1p6r h VAL 17 CO -0.30 0.00 0.18 0.40 0.02 0.00 0.00 177.57 177.87 1p6r h ILE 18 N -0.59 0.83 0.00 4.57 2.04 -0.39 -1.33 117.51 122.64 1p6r h ILE 18 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1p6r h ILE 18 Cb 0.54 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1p6r h ILE 18 CO -0.06 0.07 0.09 -0.50 0.00 0.00 0.00 178.15 177.74 1p6r h TRP 19 N 0.36 0.00 0.00 1.37 6.55 -0.60 0.64 115.95 124.27 1p6r h TRP 19 Ca 0.24 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.08 1p6r h TRP 19 Cb 0.25 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1p6r h TRP 19 CO -0.16 0.00 0.00 0.87 -1.05 0.00 0.00 178.44 178.10 1p6r h LYS 20 N 0.00 0.00 -6.21 0.49 1.79 -1.20 -3.46 116.57 107.98 1p6r h LYS 20 Ca 0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1p6r h LYS 20 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1p6r h LYS 20 CO 0.00 0.00 -0.44 -1.01 -1.08 0.00 0.00 179.45 176.92 1p6r s HIS 21 N -3.41 3.32 -0.00 -1.35 3.76 0.22 -5.05 115.29 112.77 1p6r s HIS 21 Ca 0.04 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.65 1p6r s HIS 21 Cb 0.07 -1.60 -0.12 0.00 1.11 0.00 0.00 32.58 32.03 1p6r s HIS 21 CO 0.61 0.38 0.94 0.66 -0.85 0.00 0.00 174.74 176.49 1p6r h SER 22 N 1.20 -0.69 -0.61 1.40 4.64 -1.89 -3.47 113.55 114.14 1p6r h SER 22 Ca -0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1p6r h SER 22 Cb 1.24 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1p6r h SER 22 CO 0.60 -0.30 0.00 -1.20 -0.87 0.00 0.00 176.83 175.06 1p6r n SER 23 N -5.26 0.74 -3.64 4.97 7.64 -1.26 -4.78 113.62 112.02 1p6r n SER 23 Ca -0.10 -0.12 -0.15 0.00 1.01 0.00 0.00 58.87 59.51 1p6r n SER 23 Cb 0.32 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.43 0.03 0.27 0.44 2.07 -1.21 -4.96 121.20 117.41 1p6r s ILE 24 Ca 0.00 -0.29 -0.00 0.00 -1.41 0.00 0.00 60.65 58.95 1p6r s ILE 24 Cb 0.00 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1p6r s ILE 24 CO 0.00 -0.16 0.46 0.54 -1.91 0.00 0.00 174.94 173.87 1p6r s ASN 25 N -1.52 6.36 0.19 4.50 2.20 -1.26 -0.74 114.94 124.68 1p6r s ASN 25 Ca -0.10 0.43 -0.19 0.00 -0.94 0.00 0.00 52.86 52.06 1p6r s ASN 25 Cb -0.02 -2.02 0.15 0.00 -2.00 0.00 0.00 41.25 37.36 1p6r s ASN 25 CO 0.04 -0.15 1.59 0.74 -2.94 0.00 0.00 177.10 176.38 1p6r h THR 26 N 1.22 0.21 0.28 0.54 2.02 -1.82 0.80 112.91 116.16 1p6r h THR 26 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1p6r h THR 26 Cb 1.20 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1p6r h THR 26 CO 0.65 0.00 -0.34 -1.13 0.37 0.00 0.00 175.52 175.06 1p6r h ASN 27 N -0.13 -0.95 -0.78 4.18 -1.24 -1.96 0.94 115.58 115.64 1p6r h ASN 27 Ca 0.25 0.09 0.09 0.00 0.71 0.00 0.00 56.30 57.44 1p6r h ASN 27 Cb 0.54 0.33 -0.07 0.00 0.73 0.00 0.00 38.32 39.85 1p6r h ASN 27 CO -0.67 -0.47 0.43 -0.33 -1.29 0.00 0.00 177.43 175.10 1p6r h GLU 28 N -0.68 0.70 0.46 6.67 3.07 -1.89 -0.01 114.58 122.92 1p6r h GLU 28 Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1p6r h GLU 28 Cb 0.63 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1p6r h GLU 28 CO -0.10 0.47 -0.22 -0.24 -1.40 0.00 0.00 179.01 177.51 1p6r h VAL 29 N 0.73 0.54 -0.23 3.13 3.04 -0.03 0.82 116.25 124.25 1p6r h VAL 29 Ca 0.37 -0.01 0.04 0.00 -1.01 0.00 0.00 66.70 66.09 1p6r h VAL 29 Cb 0.35 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 30.14 1p6r h VAL 29 CO -0.25 0.00 0.01 0.40 -1.01 0.00 0.00 177.57 176.72 1p6r h ILE 30 N -0.63 0.85 0.29 3.17 2.04 -0.54 0.05 117.51 122.74 1p6r h ILE 30 Ca -0.06 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1p6r h ILE 30 Cb 0.48 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1p6r h ILE 30 CO 0.10 0.01 -0.31 0.11 0.00 0.00 0.00 178.15 178.07 1p6r h LYS 31 N 0.08 -0.61 -0.07 2.37 1.79 -0.87 0.14 116.57 119.40 1p6r h LYS 31 Ca 0.11 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1p6r h LYS 31 Cb 0.13 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1p6r h LYS 31 CO -0.17 -0.41 -0.23 1.49 -1.08 0.00 0.00 179.45 179.05 1p6r h GLU 32 N -0.63 -0.31 -0.39 3.15 4.57 -0.58 0.46 114.58 120.85 1p6r h GLU 32 Ca -0.01 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1p6r h GLU 32 Cb 0.59 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1p6r h GLU 32 CO -0.08 -0.21 0.19 -0.07 -1.18 0.00 0.00 179.01 177.67 1p6r h LEU 33 N -0.32 0.51 -0.76 1.64 -0.00 -0.88 -0.98 115.31 114.52 1p6r h LEU 33 Ca 0.08 -0.12 0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1p6r h LEU 33 Cb 0.44 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 40.90 1p6r h LEU 33 CO -0.26 0.48 0.42 0.28 -0.00 0.00 0.00 178.44 179.37 1p6r h SER 34 N 0.49 0.60 -0.09 -0.43 0.02 -0.20 0.29 113.55 114.24 1p6r h SER 34 Ca 0.13 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1p6r h SER 34 Cb 0.11 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1p6r h SER 34 CO -0.02 0.36 0.03 0.11 -1.14 0.00 0.00 176.83 176.17 1p6r h LYS 35 N 0.73 0.15 -0.06 3.45 1.57 -0.58 -2.82 116.57 119.01 1p6r h LYS 35 Ca 0.36 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.92 1p6r h LYS 35 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1p6r h LYS 35 CO -0.23 0.30 -0.74 1.79 -0.57 0.00 0.00 179.45 180.01 1p6r h THR 36 N -0.04 1.39 -2.28 -0.16 1.35 -0.70 -3.42 112.91 109.06 1p6r h THR 36 Ca 0.03 -2.19 -0.28 0.00 -0.55 0.00 0.00 66.41 63.42 1p6r h THR 36 Cb 0.22 2.15 -0.34 0.00 -1.73 0.00 0.00 68.15 68.46 1p6r h THR 36 CO -0.00 0.65 -0.59 -0.44 -0.25 0.00 0.00 175.52 174.89 1p6r s SER 37 N -6.96 1.18 -0.65 5.36 0.01 0.99 -5.08 113.70 108.55 1p6r s SER 37 Ca -0.05 -0.25 -0.24 0.00 1.31 0.00 0.00 55.95 56.72 1p6r s SER 37 Cb 0.11 0.59 -0.20 0.00 0.21 0.00 0.00 66.02 66.72 1p6r s SER 37 CO 0.83 -0.34 1.86 0.35 0.41 0.00 0.00 173.24 176.36 1p6r n THR 38 N 5.33 1.43 -3.64 1.44 -2.24 -1.06 -3.91 114.28 111.62 1p6r n THR 38 Ca -0.04 -1.27 -0.26 0.00 -2.27 0.00 0.00 64.05 60.20 1p6r n THR 38 Cb 0.49 -2.24 -0.03 0.00 -2.10 0.00 0.00 70.33 66.45 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 6.11 3.48 0.47 4.78 0.51 -1.26 -5.08 118.94 127.95 1p6r s TRP 39 Ca 0.61 0.33 -0.24 0.00 -2.12 0.00 0.00 56.10 54.69 1p6r s TRP 39 Cb 0.13 -1.85 -0.07 0.00 -0.81 0.00 0.00 33.47 30.87 1p6r s TRP 39 CO 0.17 0.33 1.27 0.45 -0.51 0.00 0.00 176.95 178.65 1p6r s SER 40 N -3.38 5.94 0.36 2.95 0.15 -1.26 -4.79 113.70 113.67 1p6r s SER 40 Ca 0.39 2.56 0.17 0.00 0.70 0.00 0.00 55.95 59.76 1p6r s SER 40 Cb -0.11 -2.62 1.10 0.00 -1.71 0.00 0.00 66.02 62.68 1p6r s SER 40 CO 0.30 -1.10 1.69 -0.65 1.20 0.00 0.00 173.24 174.69 1p6r h PRO 41 N 2.07 0.35 -0.94 5.44 0.11 -1.98 0.22 132.00 137.27 1p6r h PRO 41 Ca -0.50 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.76 1p6r h PRO 41 Cb 1.26 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 1p6r h PRO 41 CO 0.60 0.23 0.54 -0.22 -0.21 0.00 0.00 178.00 178.94 1p6r h LYS 42 N 0.36 0.69 -0.09 1.05 3.11 -1.99 0.32 116.57 120.01 1p6r h LYS 42 Ca 0.70 -0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.53 1p6r h LYS 42 Cb 1.68 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 32.73 1p6r h LYS 42 CO -0.49 0.45 -0.07 1.15 -2.81 0.00 0.00 179.45 177.68 1p6r h THR 43 N 0.71 0.79 -0.15 1.00 2.02 -0.90 0.13 112.91 116.50 1p6r h THR 43 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1p6r h THR 43 Cb 0.79 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1p6r h THR 43 CO -0.38 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.01 1p6r h ILE 44 N -0.08 1.05 -0.79 3.11 1.08 -1.09 -0.09 117.51 120.70 1p6r h ILE 44 Ca 0.06 -0.12 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 1p6r h ILE 44 Cb 0.17 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1p6r h ILE 44 CO -0.14 0.05 0.45 1.56 -0.69 0.00 0.00 178.15 179.38 1p6r h GLN 45 N 0.19 0.74 0.03 2.37 1.08 -0.68 0.93 115.11 119.77 1p6r h GLN 45 Ca 0.05 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1p6r h GLN 45 Cb 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 1p6r h GLN 45 CO -0.01 0.49 -0.01 1.15 -0.95 0.00 0.00 178.83 179.50 1p6r h THR 46 N 0.77 1.05 -0.03 -0.54 2.02 -0.01 0.11 112.91 116.28 1p6r h THR 46 Ca 0.38 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1p6r h THR 46 Cb 0.32 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1p6r h THR 46 CO -0.23 0.06 -0.15 0.24 0.37 0.00 0.00 175.52 175.81 1p6r h MET 47 N -0.15 -0.23 -0.12 6.66 2.86 -0.43 0.62 114.93 124.13 1p6r h MET 47 Ca -0.00 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1p6r h MET 47 Cb 0.14 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 1p6r h MET 47 CO 0.01 -0.15 -0.16 -0.07 1.06 0.00 0.00 176.91 177.60 1p6r h LEU 48 N -0.24 -0.50 -0.52 1.22 3.38 -0.74 -1.50 115.31 116.41 1p6r h LEU 48 Ca 0.06 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1p6r h LEU 48 Cb 0.32 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1p6r h LEU 48 CO -0.17 -0.21 0.14 0.25 0.09 0.00 0.00 178.44 178.54 1p6r h LEU 49 N -0.20 0.08 0.37 1.67 6.46 -0.32 0.12 115.31 123.48 1p6r h LEU 49 Ca 0.09 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1p6r h LEU 49 Cb 0.34 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1p6r h LEU 49 CO -0.24 0.07 -0.43 0.03 -0.62 0.00 0.00 178.44 177.24 1p6r h ARG 50 N 0.29 -0.79 -0.94 1.25 2.47 -0.37 0.13 114.38 116.43 1p6r h ARG 50 Ca 0.26 0.05 0.16 0.00 -1.26 0.00 0.00 59.98 59.19 1p6r h ARG 50 Cb 0.33 0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 28.75 1p6r h ARG 50 CO -0.31 -0.53 0.60 -0.07 0.56 0.00 0.00 179.97 180.22 1p6r h LEU 51 N -0.82 0.69 0.22 3.04 4.07 -0.86 0.13 115.31 121.77 1p6r h LEU 51 Ca -0.05 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1p6r h LEU 51 Cb 0.73 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1p6r h LEU 51 CO -0.09 0.32 -0.10 0.40 -1.08 0.00 0.00 178.44 177.89 1p6r h ILE 52 N 0.71 0.85 -0.76 1.22 2.04 -0.48 0.32 117.51 121.42 1p6r h ILE 52 Ca 0.49 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.69 1p6r h ILE 52 Cb 0.79 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1p6r h ILE 52 CO -0.25 0.16 0.37 0.50 0.00 0.00 0.00 178.15 178.93 1p6r h LYS 53 N -0.70 0.56 0.00 2.37 3.64 -0.03 0.78 116.57 123.18 1p6r h LYS 53 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1p6r h LYS 53 Cb 0.49 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1p6r h LYS 53 CO 0.05 0.37 0.00 1.63 -2.27 0.00 0.00 179.45 179.23 1p6r n LYS 54 N -4.89 0.68 -2.25 1.90 5.02 -0.03 -0.30 118.16 118.29 1p6r n LYS 54 Ca 0.13 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1p6r n LYS 54 Cb 0.34 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.71 -0.16 0.07 0.72 0.00 0.27 -0.56 105.19 106.24 1p6r n GLY 55 Ca 0.17 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 0.71 0.04 -3.18 4.61 0.00 -0.59 -3.44 119.26 117.39 1p6r h ALA 56 Ca -0.37 -0.59 -0.66 0.00 0.00 0.00 0.00 54.91 53.28 1p6r h ALA 56 Cb 1.26 0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.86 1p6r h ALA 56 CO 0.45 0.10 -0.78 -0.51 0.00 0.00 0.00 179.25 178.50 1p6r s LEU 57 N -8.18 2.60 0.29 0.00 1.02 -0.66 -0.26 118.68 113.49 1p6r s LEU 57 Ca -0.20 -0.43 -0.09 0.00 0.02 0.00 0.00 54.13 53.44 1p6r s LEU 57 Cb -0.02 -1.60 -0.06 0.00 0.02 0.00 0.00 46.19 44.52 1p6r s LEU 57 CO 0.67 0.08 0.61 0.21 0.02 0.00 0.00 176.35 177.94 1p6r s ASN 58 N 0.85 6.55 0.10 2.29 2.47 -0.01 -4.08 114.94 123.11 1p6r s ASN 58 Ca -0.04 0.92 0.02 0.00 0.42 0.00 0.00 52.86 54.18 1p6r s ASN 58 Cb -0.15 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.38 1p6r s ASN 58 CO -0.00 -0.19 -0.07 -1.38 -3.72 0.00 0.00 177.10 171.74 1p6r s HIS 59 N -2.04 0.91 -0.08 0.43 -3.43 -1.26 -0.16 115.29 109.65 1p6r s HIS 59 Ca 0.48 -0.88 0.03 0.00 -0.80 0.00 0.00 55.06 53.88 1p6r s HIS 59 Cb -0.11 -0.52 0.01 0.00 -1.43 0.00 0.00 32.58 30.53 1p6r s HIS 59 CO 0.26 -0.13 -0.17 -1.01 -2.00 0.00 0.00 174.74 171.69 1p6r s HIS 60 N -3.48 1.95 -0.74 0.38 3.76 -0.11 -4.96 115.29 112.09 1p6r s HIS 60 Ca 0.11 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 53.99 1p6r s HIS 60 Cb 0.04 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.42 1p6r s HIS 60 CO -0.04 -0.36 1.16 -1.59 -0.85 0.00 0.00 174.74 173.06 1p6r s LYS 61 N 0.58 3.21 -1.27 1.40 -2.85 -1.26 -0.30 119.74 119.24 1p6r s LYS 61 Ca -0.15 -0.63 -0.14 0.00 -1.00 0.00 0.00 55.97 54.05 1p6r s LYS 61 Cb -0.17 -4.33 0.13 0.00 -2.06 0.00 0.00 37.83 31.41 1p6r s LYS 61 CO 0.05 -2.00 1.67 -1.91 0.10 0.00 0.00 175.35 173.26 1p6r n GLU 62 N 8.52 3.32 0.00 1.78 4.07 0.13 -4.83 120.64 133.64 1p6r n GLU 62 Ca 0.04 -3.53 0.00 0.00 -0.06 0.00 0.00 57.16 53.61 1p6r n GLU 62 Cb 0.48 -3.16 0.00 0.00 -0.06 0.00 0.00 31.44 28.69 1p6r n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p6r n GLY 63 N 4.19 0.08 0.14 8.31 0.00 -1.26 -2.29 105.19 114.36 1p6r n GLY 63 Ca 0.42 0.56 -0.22 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 0.60 -4.05 1.61 0.63 -1.26 -5.00 116.66 109.18 1p6r n ARG 64 Ca 0.00 0.18 -0.26 0.00 -0.92 0.00 0.00 57.85 56.85 1p6r n ARG 64 Cb 0.00 -1.48 -0.05 0.00 0.45 0.00 0.00 32.46 31.38 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 -2.49 4.67 -0.17 5.15 -7.23 -0.97 -5.07 120.40 114.28 1p6r s VAL 65 Ca -0.35 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1p6r s VAL 65 Cb 0.11 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 1p6r s VAL 65 CO 0.54 -0.12 -0.10 0.72 -0.31 0.00 0.00 175.10 175.83 1p6r s PHE 66 N -1.77 2.88 -0.07 2.82 -0.71 -1.26 0.23 117.98 120.10 1p6r s PHE 66 Ca 0.32 -0.82 -0.24 0.00 -1.04 0.00 0.00 56.93 55.15 1p6r s PHE 66 Cb -0.10 -1.96 -0.03 0.00 -1.21 0.00 0.00 43.02 39.72 1p6r s PHE 66 CO 0.25 -0.38 0.73 0.08 -1.34 0.00 0.00 175.22 174.56 1p6r s VAL 67 N 0.86 5.02 -0.27 -2.49 1.01 0.59 -2.43 120.40 122.70 1p6r s VAL 67 Ca -0.03 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.33 1p6r s VAL 67 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1p6r s VAL 67 CO 0.00 0.23 0.28 -0.31 0.00 0.00 0.00 175.10 175.30 1p6r s TYR 68 N 0.89 3.24 -0.37 5.22 2.02 0.09 -0.94 117.35 127.51 1p6r s TYR 68 Ca 0.39 0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 57.27 1p6r s TYR 68 Cb -0.18 -2.46 0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1p6r s TYR 68 CO 0.19 -0.17 0.18 0.95 -1.57 0.00 0.00 175.55 175.13 1p6r s THR 69 N 1.84 4.22 -0.01 -0.71 -4.23 0.77 -3.32 115.64 114.19 1p6r s THR 69 Ca 0.11 -1.07 -0.33 0.00 -1.18 0.00 0.00 61.69 59.22 1p6r s THR 69 Cb -0.16 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 70.15 1p6r s THR 69 CO 0.10 -0.27 1.84 -2.65 -0.54 0.00 0.00 174.62 173.09 1p6r n PRO 70 N 4.91 2.31 0.08 3.99 -0.02 -1.26 -0.83 135.00 144.18 1p6r n PRO 70 Ca -0.12 0.84 -0.04 0.00 -2.02 0.00 0.00 63.50 62.17 1p6r n PRO 70 Cb 0.45 -2.69 -0.07 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 8.74 0.00 -3.72 2.55 -0.00 -0.92 -3.46 115.58 118.77 1p6r h ASN 71 Ca -0.48 0.00 -0.68 0.00 -0.00 0.00 0.00 56.30 55.14 1p6r h ASN 71 Cb 1.26 0.00 -0.19 0.00 -0.00 0.00 0.00 38.32 39.39 1p6r h ASN 71 CO 0.94 0.82 -0.73 0.27 -0.00 0.00 0.00 177.43 178.73 1p6r s ILE 72 N -2.79 3.45 0.25 2.57 -5.25 -1.11 -4.98 121.20 113.33 1p6r s ILE 72 Ca 0.01 -0.80 0.00 0.00 -0.99 0.00 0.00 60.65 58.87 1p6r s ILE 72 Cb 0.09 -2.47 0.00 0.00 2.95 0.00 0.00 42.46 43.03 1p6r s ILE 72 CO 0.80 0.43 0.00 -0.67 -1.79 0.00 0.00 174.94 173.70 1p6r n ASP 73 N 1.71 -1.98 0.02 4.36 2.03 -1.26 -4.93 116.55 116.50 1p6r n ASP 73 Ca -0.16 0.47 -0.10 0.00 0.52 0.00 0.00 54.79 55.52 1p6r n ASP 73 Cb 0.52 2.04 -0.04 0.00 -0.72 0.00 0.00 41.12 42.92 1p6r n ASP 73 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1p6r h GLU 74 N 0.00 -0.11 -3.61 -0.67 3.07 -2.01 -3.06 114.58 108.20 1p6r h GLU 74 Ca 0.00 0.01 -0.50 0.00 -0.50 0.00 0.00 59.36 58.37 1p6r h GLU 74 Cb 0.00 0.02 0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1p6r h GLU 74 CO 0.00 -0.07 2.77 0.43 -1.40 0.00 0.00 179.01 180.74 1p6r n SER 75 N -5.21 4.96 -4.58 1.42 7.64 -1.26 -4.87 113.62 111.72 1p6r n SER 75 Ca -0.05 -2.46 -0.26 0.00 1.01 0.00 0.00 58.87 57.11 1p6r n SER 75 Cb 0.14 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 62.07 1p6r n SER 75 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p6r s ASP 76 N 3.52 4.79 -0.49 6.43 2.15 -1.16 -4.17 116.67 127.75 1p6r s ASP 76 Ca 0.48 -1.44 -0.08 0.00 0.43 0.00 0.00 52.55 51.94 1p6r s ASP 76 Cb 0.12 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 1p6r s ASP 76 CO -0.01 -3.30 0.56 0.00 -0.17 0.00 0.00 175.17 172.24 1p6r n TYR 77 N 15.17 -2.82 -3.91 -5.34 9.36 -1.26 -5.03 117.16 123.32 1p6r n TYR 77 Ca 0.44 1.11 -0.30 0.00 3.32 0.00 0.00 57.90 62.47 1p6r n TYR 77 Cb 0.47 -3.75 -0.14 0.00 -0.63 0.00 0.00 39.34 35.28 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 -2.66 2.06 -0.75 2.97 1.01 -1.26 -5.07 121.20 117.51 1p6r s ILE 78 Ca 0.12 -2.60 -0.26 0.00 0.00 0.00 0.00 60.65 57.91 1p6r s ILE 78 Cb -0.03 -2.48 0.04 0.00 0.01 0.00 0.00 42.46 40.00 1p6r s ILE 78 CO 0.66 -0.73 1.23 -1.61 0.00 0.00 0.00 174.94 174.49 1p6r s GLU 79 N 0.49 3.21 0.12 2.79 2.02 -1.26 -4.72 118.70 121.34 1p6r s GLU 79 Ca 0.14 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 54.77 1p6r s GLU 79 Cb -0.22 -4.28 -0.04 0.00 0.10 0.00 0.00 34.13 29.69 1p6r s GLU 79 CO -0.06 -2.09 -0.14 0.54 0.02 0.00 0.00 175.26 173.54 1p6r s VAL 80 N 5.32 3.11 -0.82 2.63 0.11 -1.26 -5.03 120.40 124.46 1p6r s VAL 80 Ca 0.33 -1.44 -0.26 0.00 -2.93 0.00 0.00 61.98 57.69 1p6r s VAL 80 Cb -0.09 -2.46 -0.21 0.00 -1.53 0.00 0.00 36.38 32.09 1p6r s VAL 80 CO 0.12 0.07 1.91 0.29 -3.33 0.00 0.00 175.10 174.16 1p6r n LYS 81 N 0.64 0.77 0.00 1.54 5.02 -1.26 -4.89 118.16 119.97 1p6r n LYS 81 Ca -0.14 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1p6r n LYS 81 Cb 0.53 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31