#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 -1.07 0.03 4.81 0.11 -4.53 118.16 117.52 1p6r n LYS 2 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1p6r n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1p6r n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1p6r n LYS 3 N 0.00 2.40 -3.15 1.64 4.76 -1.26 -4.63 118.16 117.92 1p6r n LYS 3 Ca 0.00 -1.84 -0.22 0.00 -2.87 0.00 0.00 58.31 53.39 1p6r n LYS 3 Cb 0.00 -2.73 -0.04 0.00 -1.84 0.00 0.00 35.03 30.42 1p6r n LYS 3 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1p6r n ILE 4 N 4.56 0.66 -1.98 -0.18 -5.35 -1.26 -3.34 119.36 112.46 1p6r n ILE 4 Ca 0.54 -4.77 -0.41 0.00 -0.27 0.00 0.00 62.75 57.84 1p6r n ILE 4 Cb 0.24 -0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 37.21 1p6r n ILE 4 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1p6r s PRO 5 N -2.47 4.24 -1.22 6.28 0.04 -1.26 -4.82 135.00 135.79 1p6r s PRO 5 Ca 0.41 2.36 -0.20 0.00 0.04 0.00 0.00 61.00 63.62 1p6r s PRO 5 Cb 0.29 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.85 1p6r s PRO 5 CO -0.09 -0.34 1.72 -0.65 0.04 0.00 0.00 177.00 177.68 1p6r s GLN 6 N -1.94 3.66 -0.28 4.56 -0.21 -1.26 -4.76 119.66 119.43 1p6r s GLN 6 Ca 0.51 -1.67 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 1p6r s GLN 6 Cb -0.42 -5.45 0.01 0.00 1.00 0.00 0.00 33.01 28.15 1p6r s GLN 6 CO 0.57 -2.53 1.08 0.42 -2.12 0.00 0.00 175.29 172.71 1p6r s ILE 7 N 5.52 4.54 0.70 1.08 -1.09 -1.26 -5.04 121.20 125.66 1p6r s ILE 7 Ca 0.55 1.82 -0.10 0.00 -2.23 0.00 0.00 60.65 60.69 1p6r s ILE 7 Cb 0.02 -4.35 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1p6r s ILE 7 CO 0.05 -0.36 1.07 -0.44 -1.23 0.00 0.00 174.94 174.03 1p6r s SER 8 N 1.55 5.25 0.14 3.58 0.01 -1.26 -4.79 113.70 118.18 1p6r s SER 8 Ca 0.46 0.93 -0.30 0.00 1.31 0.00 0.00 55.95 58.35 1p6r s SER 8 Cb -0.14 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.34 1p6r s SER 8 CO 0.12 -1.41 1.57 -0.78 0.41 0.00 0.00 173.24 173.15 1p6r h ASP 9 N -0.63 -1.50 -0.41 2.44 3.58 -1.99 0.11 116.42 118.01 1p6r h ASP 9 Ca -0.45 0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.26 1p6r h ASP 9 Cb 1.27 0.62 -0.05 0.00 1.72 0.00 0.00 39.33 42.90 1p6r h ASP 9 CO 0.63 -0.42 0.13 0.00 -2.88 0.00 0.00 179.24 176.71 1p6r h ALA 10 N 0.13 0.48 -0.47 -0.78 0.00 -2.01 -2.04 119.26 114.56 1p6r h ALA 10 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1p6r h ALA 10 Cb 0.62 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1p6r h ALA 10 CO -0.49 -0.27 0.23 0.93 0.00 0.00 0.00 179.25 179.65 1p6r h GLU 11 N 0.28 0.44 -0.92 0.00 5.08 -1.76 -2.36 114.58 115.35 1p6r h GLU 11 Ca 0.19 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 1p6r h GLU 11 Cb 0.20 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1p6r h GLU 11 CO -0.21 0.29 0.51 1.25 -1.00 0.00 0.00 179.01 179.85 1p6r h LEU 12 N 0.46 0.62 -0.79 1.33 7.12 -0.07 0.16 115.31 124.13 1p6r h LEU 12 Ca 0.20 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.34 1p6r h LEU 12 Cb 0.12 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 1p6r h LEU 12 CO -0.15 0.22 0.51 -0.33 -0.13 0.00 0.00 178.44 178.56 1p6r h GLU 13 N 0.66 0.97 -0.33 1.25 4.39 -1.22 0.12 114.58 120.43 1p6r h GLU 13 Ca 0.53 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 60.09 1p6r h GLU 13 Cb 0.81 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1p6r h GLU 13 CO -0.39 0.64 -0.08 -0.39 -1.16 0.00 0.00 179.01 177.63 1p6r h VAL 14 N 1.00 1.28 -0.16 3.13 -1.51 -0.72 0.13 116.25 119.41 1p6r h VAL 14 Ca 0.31 -1.13 0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1p6r h VAL 14 Cb -0.03 1.35 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 1p6r h VAL 14 CO -0.10 0.37 -0.10 0.24 -1.23 0.00 0.00 177.57 176.75 1p6r h MET 15 N 0.41 -0.09 -0.35 5.19 2.86 -0.69 0.01 114.93 122.26 1p6r h MET 15 Ca 0.08 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1p6r h MET 15 Cb 0.58 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1p6r h MET 15 CO 0.03 -0.06 0.02 -0.22 1.06 0.00 0.00 176.91 177.74 1p6r h LYS 16 N -0.09 0.11 -0.32 1.72 3.64 -0.62 0.14 116.57 121.15 1p6r h LYS 16 Ca 0.09 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1p6r h LYS 16 Cb 0.23 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1p6r h LYS 16 CO -0.22 0.08 0.04 0.28 -2.27 0.00 0.00 179.45 177.36 1p6r h VAL 17 N 0.12 0.82 0.52 2.00 2.07 -0.26 0.31 116.25 121.83 1p6r h VAL 17 Ca 0.17 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1p6r h VAL 17 Cb 0.23 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1p6r h VAL 17 CO -0.27 0.03 -0.29 0.40 0.02 0.00 0.00 177.57 177.45 1p6r h ILE 18 N 0.15 0.40 -0.85 4.57 2.04 -0.27 -2.77 117.51 120.78 1p6r h ILE 18 Ca 0.15 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.21 1p6r h ILE 18 Cb 0.18 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1p6r h ILE 18 CO -0.22 0.00 0.57 -0.50 0.00 0.00 0.00 178.15 178.00 1p6r h TRP 19 N -0.76 0.40 -0.23 1.37 6.55 -0.43 -0.53 115.95 122.32 1p6r h TRP 19 Ca -0.06 0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.69 1p6r h TRP 19 Cb 0.61 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.77 1p6r h TRP 19 CO -0.07 0.11 -0.27 -0.22 -1.05 0.00 0.00 178.44 176.95 1p6r h LYS 20 N 0.31 0.44 -7.05 0.49 1.63 -0.11 -3.44 116.57 108.85 1p6r h LYS 20 Ca 0.43 -0.17 -0.46 0.00 -0.85 0.00 0.00 60.65 59.60 1p6r h LYS 20 Cb 1.19 -0.03 0.07 0.00 -0.60 0.00 0.00 32.23 32.87 1p6r h LYS 20 CO -0.13 0.67 0.07 -1.01 -3.45 0.00 0.00 179.45 175.61 1p6r s HIS 21 N -4.47 1.83 -0.02 1.91 3.76 -0.21 -5.04 115.29 113.05 1p6r s HIS 21 Ca -0.06 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.43 1p6r s HIS 21 Cb 0.14 -2.92 -0.10 0.00 1.11 0.00 0.00 32.58 30.81 1p6r s HIS 21 CO 0.79 -1.53 0.77 0.66 -0.85 0.00 0.00 174.74 174.57 1p6r h SER 22 N -0.39 -0.55 -0.33 1.40 4.64 -1.86 -3.47 113.55 112.98 1p6r h SER 22 Ca -0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1p6r h SER 22 Cb 1.27 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1p6r h SER 22 CO 0.43 -0.14 0.00 -1.20 -0.87 0.00 0.00 176.83 175.05 1p6r n SER 23 N -5.21 0.66 -3.71 4.97 7.64 -1.26 -4.89 113.62 111.82 1p6r n SER 23 Ca -0.08 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.66 1p6r n SER 23 Cb 0.26 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.10 0.01 0.25 0.44 2.07 -1.18 -4.98 121.20 117.91 1p6r s ILE 24 Ca 0.00 -0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 58.95 1p6r s ILE 24 Cb 0.00 -0.67 -0.08 0.00 0.13 0.00 0.00 42.46 41.84 1p6r s ILE 24 CO 0.00 -0.06 0.73 0.54 -1.91 0.00 0.00 174.94 174.24 1p6r s ASN 25 N -0.27 6.98 0.30 4.50 2.20 -1.26 -0.81 114.94 126.58 1p6r s ASN 25 Ca -0.04 1.38 0.06 0.00 -0.94 0.00 0.00 52.86 53.32 1p6r s ASN 25 Cb -0.03 -2.41 0.78 0.00 -2.00 0.00 0.00 41.25 37.59 1p6r s ASN 25 CO 0.02 -0.03 1.72 0.74 -2.94 0.00 0.00 177.10 176.61 1p6r h THR 26 N 2.53 0.53 -0.03 0.54 2.02 -1.37 0.11 112.91 117.25 1p6r h THR 26 Ca -0.48 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1p6r h THR 26 Cb 1.19 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1p6r h THR 26 CO 0.65 0.09 -0.06 0.78 0.37 0.00 0.00 175.52 177.36 1p6r h ASN 27 N 0.52 -0.17 -0.58 4.18 2.35 -1.94 0.49 115.58 120.42 1p6r h ASN 27 Ca 0.59 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.34 1p6r h ASN 27 Cb 1.09 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1p6r h ASN 27 CO -0.48 -0.09 0.24 -0.33 -1.65 0.00 0.00 177.43 175.12 1p6r h GLU 28 N -0.09 0.90 0.45 0.81 4.39 -1.50 -0.13 114.58 119.41 1p6r h GLU 28 Ca 0.03 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1p6r h GLU 28 Cb 0.14 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1p6r h GLU 28 CO -0.08 0.74 -0.22 -0.24 -1.16 0.00 0.00 179.01 178.05 1p6r h VAL 29 N 0.89 0.55 -0.50 3.13 3.04 -0.07 0.14 116.25 123.43 1p6r h VAL 29 Ca 0.21 -0.13 0.05 0.00 -1.01 0.00 0.00 66.70 65.82 1p6r h VAL 29 Cb 0.18 0.62 -0.05 0.00 -2.01 0.00 0.00 31.29 30.03 1p6r h VAL 29 CO -0.02 0.02 0.24 0.40 -1.01 0.00 0.00 177.57 177.20 1p6r h ILE 30 N -0.68 0.93 0.56 3.17 2.04 -0.74 0.72 117.51 123.51 1p6r h ILE 30 Ca -0.06 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1p6r h ILE 30 Cb 0.50 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1p6r h ILE 30 CO 0.10 0.08 -0.33 0.50 0.00 0.00 0.00 178.15 178.51 1p6r h LYS 31 N 0.46 -0.80 -0.36 2.37 1.63 -0.88 0.89 116.57 119.88 1p6r h LYS 31 Ca 0.23 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1p6r h LYS 31 Cb 0.16 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1p6r h LYS 31 CO -0.17 -0.54 0.19 1.49 -3.45 0.00 0.00 179.45 176.97 1p6r h GLU 32 N -0.83 0.39 0.00 1.90 4.57 -0.48 0.27 114.58 120.39 1p6r h GLU 32 Ca -0.07 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1p6r h GLU 32 Cb 0.67 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1p6r h GLU 32 CO 0.08 0.26 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.00 1p6r h LEU 33 N 0.40 -0.30 -0.76 1.64 4.07 -0.81 0.04 115.31 119.59 1p6r h LEU 33 Ca 0.15 0.05 0.12 0.00 0.08 0.00 0.00 57.88 58.27 1p6r h LEU 33 Cb 0.03 0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.81 1p6r h LEU 33 CO -0.08 -0.15 0.37 0.28 -1.08 0.00 0.00 178.44 177.77 1p6r h SER 34 N -0.18 0.44 -0.04 -0.43 0.02 -0.13 0.19 113.55 113.41 1p6r h SER 34 Ca 0.04 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1p6r h SER 34 Cb 0.23 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1p6r h SER 34 CO -0.10 0.22 0.01 0.11 -1.14 0.00 0.00 176.83 175.93 1p6r h LYS 35 N 0.57 0.06 -0.01 3.45 1.57 -0.56 -2.92 116.57 118.74 1p6r h LYS 35 Ca 0.40 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1p6r h LYS 35 Cb 0.50 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1p6r h LYS 35 CO -0.33 0.26 -0.01 1.79 -0.57 0.00 0.00 179.45 180.59 1p6r h THR 36 N -0.14 1.43 -2.30 -0.16 1.35 -0.32 -3.43 112.91 109.34 1p6r h THR 36 Ca 0.01 -1.28 -0.30 0.00 -0.55 0.00 0.00 66.41 64.30 1p6r h THR 36 Cb 0.22 2.29 -0.34 0.00 -1.73 0.00 0.00 68.15 68.59 1p6r h THR 36 CO -0.00 0.33 -0.61 -0.44 -0.25 0.00 0.00 175.52 174.56 1p6r s SER 37 N -5.77 1.32 -0.67 5.36 0.01 0.60 -5.08 113.70 109.48 1p6r s SER 37 Ca -0.16 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 1p6r s SER 37 Cb 0.01 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1p6r s SER 37 CO 0.68 -0.34 1.82 0.41 0.41 0.00 0.00 173.24 176.21 1p6r n THR 38 N 5.32 1.78 -2.62 1.44 -1.04 -1.10 -4.18 114.28 113.88 1p6r n THR 38 Ca -0.04 -1.08 -0.37 0.00 -2.04 0.00 0.00 64.05 60.52 1p6r n THR 38 Cb 0.48 -1.98 -0.05 0.00 -1.82 0.00 0.00 70.33 66.97 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 3.89 3.45 0.54 -1.42 0.51 -1.26 -5.01 118.94 119.65 1p6r s TRP 39 Ca 0.30 1.70 -0.22 0.00 -2.12 0.00 0.00 56.10 55.76 1p6r s TRP 39 Cb 0.08 -3.08 -0.05 0.00 -0.81 0.00 0.00 33.47 29.61 1p6r s TRP 39 CO -0.02 -0.33 1.34 0.43 -0.51 0.00 0.00 176.95 177.87 1p6r n SER 40 N 0.31 2.62 -0.35 2.95 7.64 -1.26 -4.69 113.62 120.84 1p6r n SER 40 Ca 0.03 0.98 0.28 0.00 1.01 0.00 0.00 58.87 61.17 1p6r n SER 40 Cb 0.49 -1.57 0.58 0.00 -1.01 0.00 0.00 64.21 62.71 1p6r n SER 40 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1p6r h PRO 41 N 1.44 0.25 -0.05 1.43 0.11 -1.97 0.24 132.00 133.45 1p6r h PRO 41 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1p6r h PRO 41 Cb 1.31 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1p6r h PRO 41 CO 0.57 0.17 0.03 -0.22 -0.21 0.00 0.00 178.00 178.34 1p6r h LYS 42 N 0.26 0.06 -0.14 1.05 3.64 -1.99 0.37 116.57 119.83 1p6r h LYS 42 Ca 0.63 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 60.04 1p6r h LYS 42 Cb 1.87 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 1p6r h LYS 42 CO -0.26 0.04 -0.05 1.15 -2.27 0.00 0.00 179.45 178.07 1p6r h THR 43 N 0.06 0.83 0.05 1.00 2.02 -0.92 0.11 112.91 116.07 1p6r h THR 43 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1p6r h THR 43 Cb -0.01 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1p6r h THR 43 CO -0.01 0.00 -0.30 0.40 0.37 0.00 0.00 175.52 175.98 1p6r h ILE 44 N -0.02 0.34 -0.88 3.11 2.04 -1.04 0.57 117.51 121.62 1p6r h ILE 44 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1p6r h ILE 44 Cb 0.13 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1p6r h ILE 44 CO -0.15 0.00 0.56 1.56 0.00 0.00 0.00 178.15 180.11 1p6r h GLN 45 N -0.48 0.99 0.20 2.37 4.20 -0.66 -0.05 115.11 121.68 1p6r h GLN 45 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1p6r h GLN 45 Cb 0.54 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1p6r h GLN 45 CO -0.23 0.66 -0.11 1.15 -0.67 0.00 0.00 178.83 179.63 1p6r h THR 46 N 1.02 0.76 -0.17 -0.54 2.02 -0.10 0.70 112.91 116.60 1p6r h THR 46 Ca 0.38 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.60 1p6r h THR 46 Cb 0.14 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1p6r h THR 46 CO -0.16 0.00 -0.06 0.24 0.37 0.00 0.00 175.52 175.90 1p6r h MET 47 N -0.30 -0.03 -0.05 6.66 2.86 -0.35 0.54 114.93 124.26 1p6r h MET 47 Ca -0.02 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1p6r h MET 47 Cb 0.24 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1p6r h MET 47 CO 0.02 -0.02 -0.29 -0.07 1.06 0.00 0.00 176.91 177.61 1p6r h LEU 48 N -0.03 -0.88 -0.26 1.22 3.38 -0.83 0.45 115.31 118.35 1p6r h LEU 48 Ca 0.09 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1p6r h LEU 48 Cb 0.17 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1p6r h LEU 48 CO -0.20 -0.35 -0.23 0.25 0.09 0.00 0.00 178.44 178.01 1p6r h LEU 49 N -0.41 -0.75 0.18 1.67 6.46 -0.44 0.11 115.31 122.14 1p6r h LEU 49 Ca 0.08 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1p6r h LEU 49 Cb 0.52 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 1p6r h LEU 49 CO -0.28 -0.27 -0.25 0.03 -0.62 0.00 0.00 178.44 177.06 1p6r h ARG 50 N -0.23 -0.47 -0.72 1.25 3.08 -0.45 -0.44 114.38 116.41 1p6r h ARG 50 Ca 0.14 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1p6r h ARG 50 Cb 0.45 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1p6r h ARG 50 CO -0.40 -0.31 0.43 -0.07 -1.07 0.00 0.00 179.97 178.55 1p6r h LEU 51 N -0.49 0.68 0.13 3.04 3.38 -0.53 0.15 115.31 121.67 1p6r h LEU 51 Ca 0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1p6r h LEU 51 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1p6r h LEU 51 CO -0.10 0.45 -0.15 0.40 0.09 0.00 0.00 178.44 179.14 1p6r h ILE 52 N 0.81 0.66 -0.80 1.22 2.04 -0.50 0.14 117.51 121.09 1p6r h ILE 52 Ca 0.30 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.22 1p6r h ILE 52 Cb 0.11 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1p6r h ILE 52 CO -0.15 0.00 0.52 0.11 0.00 0.00 0.00 178.15 178.63 1p6r h LYS 53 N -0.32 0.86 0.00 2.37 1.57 -0.42 0.64 116.57 121.27 1p6r h LYS 53 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1p6r h LYS 53 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1p6r h LYS 53 CO -0.06 0.57 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 1p6r n LYS 54 N -4.48 0.75 -1.66 3.15 5.02 0.45 -4.86 118.16 116.54 1p6r n LYS 54 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.27 1p6r n LYS 54 Cb 0.20 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.34 0.94 0.19 0.72 0.00 0.22 -4.59 105.19 103.01 1p6r n GLY 55 Ca 0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.20 -0.41 -3.32 4.61 0.00 -0.90 -3.41 119.26 116.02 1p6r h ALA 56 Ca -0.29 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 1p6r h ALA 56 Cb 0.99 0.16 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 1p6r h ALA 56 CO 0.40 -0.38 -0.87 -0.51 0.00 0.00 0.00 179.25 177.88 1p6r s LEU 57 N -8.83 2.05 0.33 0.00 1.02 -1.25 -0.61 118.68 111.39 1p6r s LEU 57 Ca -0.06 -0.54 -0.06 0.00 0.02 0.00 0.00 54.13 53.49 1p6r s LEU 57 Cb 0.01 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.80 1p6r s LEU 57 CO 0.18 0.13 0.62 0.21 0.02 0.00 0.00 176.35 177.51 1p6r s ASN 58 N 0.46 6.44 0.15 2.29 2.47 0.16 -4.31 114.94 122.60 1p6r s ASN 58 Ca -0.16 0.80 0.05 0.00 0.42 0.00 0.00 52.86 53.97 1p6r s ASN 58 Cb -0.17 -2.18 -0.04 0.00 -1.45 0.00 0.00 41.25 37.40 1p6r s ASN 58 CO 0.07 -0.27 -0.12 -1.38 -3.72 0.00 0.00 177.10 171.68 1p6r s HIS 59 N -2.20 1.38 -0.02 0.43 -3.43 -1.26 -0.09 115.29 110.09 1p6r s HIS 59 Ca 0.45 -0.68 0.04 0.00 -0.80 0.00 0.00 55.06 54.08 1p6r s HIS 59 Cb -0.10 -0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 30.35 1p6r s HIS 59 CO 0.32 0.15 -0.13 -1.58 -2.00 0.00 0.00 174.74 171.50 1p6r s HIS 60 N -2.98 1.18 -0.84 0.38 2.46 0.11 -4.94 115.29 110.66 1p6r s HIS 60 Ca 0.16 -0.25 -0.23 0.00 0.47 0.00 0.00 55.06 55.21 1p6r s HIS 60 Cb 0.00 -0.78 0.07 0.00 -0.13 0.00 0.00 32.58 31.75 1p6r s HIS 60 CO 0.02 -0.05 1.19 0.15 -2.47 0.00 0.00 174.74 173.59 1p6r s LYS 61 N -0.17 3.37 -1.28 2.88 1.02 -1.26 -0.37 119.74 123.93 1p6r s LYS 61 Ca 0.03 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 1p6r s LYS 61 Cb -0.06 -4.69 0.13 0.00 -0.52 0.00 0.00 37.83 32.69 1p6r s LYS 61 CO -0.00 -1.97 1.68 -1.91 -0.92 0.00 0.00 175.35 172.23 1p6r n GLU 62 N 8.05 3.30 0.00 1.68 4.07 0.12 -4.82 120.64 133.05 1p6r n GLU 62 Ca 0.14 -3.49 0.00 0.00 -0.06 0.00 0.00 57.16 53.75 1p6r n GLU 62 Cb 0.48 -3.19 0.00 0.00 -0.06 0.00 0.00 31.44 28.67 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 4.30 -0.05 0.09 8.31 0.00 -1.26 -2.01 105.19 114.57 1p6r n GLY 63 Ca 0.43 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 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 1.10 -4.31 1.61 3.00 -1.26 -5.00 116.66 111.79 1p6r n ARG 64 Ca 0.00 0.01 -0.24 0.00 -0.00 0.00 0.00 57.85 57.62 1p6r n ARG 64 Cb 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 30.89 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 -2.42 1.69 -0.16 5.15 -7.23 -0.85 -5.14 120.40 111.45 1p6r s VAL 65 Ca -0.11 -1.51 -0.08 0.00 -1.81 0.00 0.00 61.98 58.47 1p6r s VAL 65 Cb 0.05 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1p6r s VAL 65 CO 0.68 -0.04 0.13 0.72 -0.31 0.00 0.00 175.10 176.28 1p6r s PHE 66 N -1.13 3.48 -0.09 2.82 -0.71 -1.26 0.14 117.98 121.22 1p6r s PHE 66 Ca 0.06 0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 56.34 1p6r s PHE 66 Cb -0.10 -2.05 -0.03 0.00 -1.21 0.00 0.00 43.02 39.63 1p6r s PHE 66 CO 0.04 0.49 -0.02 0.08 -1.34 0.00 0.00 175.22 174.47 1p6r s VAL 67 N -0.30 4.15 -0.26 -2.49 1.01 0.50 -0.86 120.40 122.15 1p6r s VAL 67 Ca 0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1p6r s VAL 67 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1p6r s VAL 67 CO 0.01 0.59 0.28 -0.31 0.00 0.00 0.00 175.10 175.66 1p6r s TYR 68 N -0.67 3.26 -0.32 5.22 2.02 0.01 -0.71 117.35 126.16 1p6r s TYR 68 Ca 0.11 0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 57.02 1p6r s TYR 68 Cb -0.12 -2.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.00 1p6r s TYR 68 CO 0.02 -0.15 0.12 0.95 -1.57 0.00 0.00 175.55 174.93 1p6r s THR 69 N 1.76 4.20 0.10 -0.71 -4.23 0.86 -3.08 115.64 114.54 1p6r s THR 69 Ca 0.11 -0.72 -0.36 0.00 -1.18 0.00 0.00 61.69 59.55 1p6r s THR 69 Cb -0.15 -3.22 -0.15 0.00 1.34 0.00 0.00 72.50 70.31 1p6r s THR 69 CO 0.09 -0.02 1.48 -2.65 -0.54 0.00 0.00 174.62 172.98 1p6r n PRO 70 N 4.91 1.62 0.00 3.99 -0.02 -1.26 -0.66 135.00 143.57 1p6r n PRO 70 Ca -0.14 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1p6r n PRO 70 Cb 0.47 -2.29 0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1p6r n PRO 70 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1p6r n ASN 71 N 3.16 2.50 -4.61 2.55 5.15 0.22 -4.75 115.26 119.47 1p6r n ASN 71 Ca 0.18 -1.75 -0.29 0.00 -0.60 0.00 0.00 54.58 52.12 1p6r n ASN 71 Cb 0.23 0.13 -0.09 0.00 -0.53 0.00 0.00 39.78 39.52 1p6r n ASN 71 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1p6r s ILE 72 N -1.87 3.52 0.29 -1.44 -0.00 -1.19 -4.97 121.20 115.54 1p6r s ILE 72 Ca 0.22 -1.33 -0.05 0.00 -0.00 0.00 0.00 60.65 59.49 1p6r s ILE 72 Cb 0.17 -2.70 0.02 0.00 -0.00 0.00 0.00 42.46 39.95 1p6r s ILE 72 CO 0.32 0.02 0.47 -0.90 -0.00 0.00 0.00 174.94 174.86 1p6r n ASP 73 N 0.37 -1.35 0.00 4.36 5.68 -1.26 -4.90 116.55 119.46 1p6r n ASP 73 Ca -0.12 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 1p6r n ASP 73 Cb 0.53 2.38 0.00 0.00 -1.14 0.00 0.00 41.12 42.90 1p6r n ASP 73 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1p6r n GLU 74 N -0.44 0.00 0.10 0.11 1.02 -1.26 -1.84 120.64 118.33 1p6r n GLU 74 Ca -0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 1p6r n GLU 74 Cb 0.46 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.73 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 0.66 0.00 1.62 0.02 -1.88 -3.47 113.55 110.49 1p6r h SER 75 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1p6r h SER 75 Cb 0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1p6r h SER 75 CO 0.00 1.59 0.00 0.47 -1.14 0.00 0.00 176.83 177.75 1p6r n ASP 76 N -3.89 0.00 -0.05 3.07 8.00 -0.76 -0.89 116.55 122.03 1p6r n ASP 76 Ca -0.17 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.28 1p6r n ASP 76 Cb 0.98 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.94 1p6r n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p6r n TYR 77 N 0.00 0.36 -2.72 1.24 4.19 -1.26 -4.31 117.16 114.66 1p6r n TYR 77 Ca 0.00 0.13 -0.42 0.00 3.31 0.00 0.00 57.90 60.91 1p6r n TYR 77 Cb 0.00 -0.98 -0.03 0.00 0.49 0.00 0.00 39.34 38.82 1p6r n TYR 77 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1p6r s ILE 78 N -2.72 4.82 -0.80 2.97 -1.09 -0.07 -4.59 121.20 119.72 1p6r s ILE 78 Ca -0.07 1.99 -0.26 0.00 -2.23 0.00 0.00 60.65 60.07 1p6r s ILE 78 Cb 0.08 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.70 1p6r s ILE 78 CO 0.84 0.05 1.32 -1.61 -1.23 0.00 0.00 174.94 174.30 1p6r s GLU 79 N 1.79 3.27 -0.18 2.79 2.02 -1.26 -4.75 118.70 122.38 1p6r s GLU 79 Ca 0.48 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 1p6r s GLU 79 Cb -0.19 -4.43 -0.00 0.00 0.10 0.00 0.00 34.13 29.62 1p6r s GLU 79 CO 0.19 -2.17 -0.11 0.08 0.02 0.00 0.00 175.26 173.28 1p6r s VAL 80 N 5.60 2.96 1.02 2.63 1.01 -1.26 -5.06 120.40 127.30 1p6r s VAL 80 Ca 0.37 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1p6r s VAL 80 Cb -0.06 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 34.15 1p6r s VAL 80 CO 0.10 0.48 0.62 0.29 0.00 0.00 0.00 175.10 176.59 1p6r n LYS 81 N 4.33 -0.99 -0.53 2.72 5.02 -1.26 0.68 118.16 128.13 1p6r n LYS 81 Ca -0.19 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1p6r n LYS 81 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1p6r n LYS 81 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31