#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s TRP 2 N 0.00 3.74 0.26 0.66 1.48 -1.26 -5.07 118.94 118.76 1n8r s TRP 2 Ca 0.00 1.68 -0.10 0.00 -1.06 0.00 0.00 56.10 56.62 1n8r s TRP 2 Cb 0.00 -2.83 -0.07 0.00 -1.16 0.00 0.00 33.47 29.41 1n8r s TRP 2 CO 0.00 0.31 0.59 -0.51 -4.06 0.00 0.00 176.95 173.28 1n8r s ASP 3 N -1.52 6.62 -0.01 -2.66 1.01 -1.26 -5.04 116.67 113.81 1n8r s ASP 3 Ca 0.45 0.97 -0.23 0.00 0.71 0.00 0.00 52.55 54.45 1n8r s ASP 3 Cb -0.19 -2.25 -0.20 0.00 1.01 0.00 0.00 42.92 41.29 1n8r s ASP 3 CO 0.24 -0.13 1.18 0.58 0.21 0.00 0.00 175.17 177.26 1n8r h VAL 4 N 1.86 1.44 -3.34 -1.27 2.07 -1.97 -3.40 116.25 111.64 1n8r h VAL 4 Ca -0.47 -1.61 -0.59 0.00 0.82 0.00 0.00 66.70 64.85 1n8r h VAL 4 Cb 1.17 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 33.17 1n8r h VAL 4 CO 0.68 0.45 -0.30 -0.63 0.02 0.00 0.00 177.57 177.78 1n8r s ILE 5 N -3.73 5.29 -0.19 4.57 1.01 -1.26 -2.03 121.20 124.85 1n8r s ILE 5 Ca -0.15 0.58 -0.17 0.00 0.00 0.00 0.00 60.65 60.91 1n8r s ILE 5 Cb 0.03 -3.65 -0.13 0.00 0.01 0.00 0.00 42.46 38.72 1n8r s ILE 5 CO 0.74 0.36 0.01 0.29 0.00 0.00 0.00 174.94 176.35 1n8r n LYS 6 N 3.77 0.53 -3.62 2.79 5.02 0.12 -4.94 118.16 121.84 1n8r n LYS 6 Ca -0.11 0.52 -0.01 0.00 -2.02 0.00 0.00 58.31 56.68 1n8r n LYS 6 Cb 0.52 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1n8r n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1n8r s HIS 7 N -2.36 -0.04 0.04 2.13 -3.43 -1.12 -5.00 115.29 105.52 1n8r s HIS 7 Ca -0.26 0.01 -0.31 0.00 -0.80 0.00 0.00 55.06 53.71 1n8r s HIS 7 Cb 0.06 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.65 1n8r s HIS 7 CO 0.46 -0.08 1.39 -2.14 -2.00 0.00 0.00 174.74 172.38 1n8r s PRO 8 N -2.14 4.30 -0.56 -0.38 0.02 -1.26 -0.48 135.00 134.50 1n8r s PRO 8 Ca 0.12 2.00 -0.26 0.00 0.02 0.00 0.00 61.00 62.88 1n8r s PRO 8 Cb 0.01 -3.46 0.04 0.00 0.02 0.00 0.00 34.50 31.11 1n8r s PRO 8 CO -0.04 -0.51 1.04 -1.58 -0.33 0.00 0.00 177.00 175.58 1n8r s HIS 9 N 1.90 2.73 -0.33 6.54 2.46 -0.46 -4.83 115.29 123.30 1n8r s HIS 9 Ca 0.64 0.18 -0.03 0.00 0.47 0.00 0.00 55.06 56.31 1n8r s HIS 9 Cb -0.33 -4.24 0.06 0.00 -0.13 0.00 0.00 32.58 27.94 1n8r s HIS 9 CO 0.28 -1.43 0.07 0.54 -2.47 0.00 0.00 174.74 171.73 1n8r s VAL 10 N 4.32 3.29 0.15 0.89 0.11 -1.26 -4.60 120.40 123.30 1n8r s VAL 10 Ca 0.36 -1.42 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 1n8r s VAL 10 Cb -0.10 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.79 1n8r s VAL 10 CO 0.22 -0.23 0.24 0.42 -3.33 0.00 0.00 175.10 172.43 1n8r s THR 11 N 1.28 0.08 0.22 5.04 -4.23 -1.26 -4.99 115.64 111.78 1n8r s THR 11 Ca -0.02 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 1n8r s THR 11 Cb -0.20 -1.75 0.23 0.00 1.34 0.00 0.00 72.50 72.12 1n8r s THR 11 CO -0.00 -0.39 1.58 -0.33 -0.54 0.00 0.00 174.62 174.94 1n8r h GLU 12 N 2.61 -0.06 -0.74 3.99 3.07 -1.99 0.50 114.58 121.96 1n8r h GLU 12 Ca -0.32 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 1n8r h GLU 12 Cb 1.22 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.11 1n8r h GLU 12 CO 0.51 -0.04 0.37 -0.22 -1.40 0.00 0.00 179.01 178.23 1n8r h LYS 13 N -0.07 1.04 -0.17 2.33 3.64 -1.99 -0.80 116.57 120.55 1n8r h LYS 13 Ca 0.32 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1n8r h LYS 13 Cb 0.58 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1n8r h LYS 13 CO -0.81 0.78 -0.03 0.00 -2.27 0.00 0.00 179.45 177.13 1n8r h ALA 14 N 1.37 1.64 0.17 5.00 0.00 -0.46 -2.48 119.26 124.51 1n8r h ALA 14 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n8r h ALA 14 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n8r h ALA 14 CO -0.04 0.27 -0.08 0.52 0.00 0.00 0.00 179.25 179.92 1n8r h MET 15 N 0.24 -0.22 -0.90 0.00 2.86 0.60 -2.59 114.93 114.93 1n8r h MET 15 Ca 0.06 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.87 1n8r h MET 15 Cb 0.22 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 1n8r h MET 15 CO 0.01 0.10 0.49 -0.91 1.06 0.00 0.00 176.91 177.66 1n8r h ASN 16 N -0.57 0.61 -0.05 1.22 2.35 -0.95 0.35 115.58 118.54 1n8r h ASN 16 Ca -0.02 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1n8r h ASN 16 Cb 0.43 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1n8r h ASN 16 CO 0.04 0.24 -0.13 0.44 -1.65 0.00 0.00 177.43 176.37 1n8r h ASP 17 N 0.67 0.35 -0.01 5.81 5.19 -1.43 0.21 116.42 127.22 1n8r h ASP 17 Ca 0.50 -0.08 -0.22 0.00 -0.62 0.00 0.00 57.03 56.60 1n8r h ASP 17 Cb 0.71 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.15 1n8r h ASP 17 CO -0.37 0.52 -0.85 -0.03 -3.12 0.00 0.00 179.24 175.40 1n8r h MET 18 N 0.34 0.58 0.11 3.56 4.05 -0.18 -0.86 114.93 122.53 1n8r h MET 18 Ca 0.07 -0.62 -0.29 0.00 -0.28 0.00 0.00 59.70 58.57 1n8r h MET 18 Cb 0.45 0.17 0.03 0.00 -0.80 0.00 0.00 31.60 31.45 1n8r h MET 18 CO 0.03 1.23 -1.22 -0.44 0.23 0.00 0.00 176.91 176.73 1n8r h ASP 19 N 0.19 0.86 0.00 1.39 3.32 -0.30 -3.13 116.42 118.75 1n8r h ASP 19 Ca -0.10 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1n8r h ASP 19 Cb 1.52 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1n8r h ASP 19 CO 0.17 1.59 -1.54 0.49 -1.72 0.00 0.00 179.24 178.23 1n8r n PHE 20 N -3.79 0.00 -0.22 4.55 0.99 0.73 -4.63 117.46 115.09 1n8r n PHE 20 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.32 1n8r n PHE 20 Cb 0.98 -0.28 0.00 0.00 -1.00 0.00 0.00 39.48 39.17 1n8r n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1n8r n GLN 21 N -1.91 0.45 -3.36 -1.08 6.02 -0.46 -5.02 117.38 112.01 1n8r n GLN 21 Ca -0.01 -0.29 -0.19 0.00 -0.01 0.00 0.00 57.00 56.51 1n8r n GLN 21 Cb 0.44 -0.76 0.06 0.00 1.02 0.00 0.00 30.24 31.00 1n8r n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1n8r n ASN 22 N -0.15 -5.45 -4.50 1.08 5.15 -0.46 -4.80 115.26 106.14 1n8r n ASN 22 Ca 0.00 -0.42 -0.30 0.00 -0.60 0.00 0.00 54.58 53.26 1n8r n ASN 22 Cb 0.06 -4.06 -0.11 0.00 -0.53 0.00 0.00 39.78 35.13 1n8r n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1n8r s LYS 23 N -6.03 1.94 -0.07 1.20 1.02 -0.54 -1.55 119.74 115.70 1n8r s LYS 23 Ca 0.46 -1.09 0.05 0.00 0.02 0.00 0.00 55.97 55.42 1n8r s LYS 23 Cb -0.20 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1n8r s LYS 23 CO 0.57 0.50 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.75 1n8r s LEU 24 N -1.95 2.06 -0.10 3.17 1.43 0.19 -2.96 118.68 120.51 1n8r s LEU 24 Ca 0.18 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1n8r s LEU 24 Cb -0.11 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1n8r s LEU 24 CO 0.09 0.21 0.02 -1.10 0.23 0.00 0.00 176.35 175.81 1n8r s GLN 25 N -0.00 3.19 0.07 1.70 -0.21 -1.26 0.16 119.66 123.32 1n8r s GLN 25 Ca -0.08 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 54.93 1n8r s GLN 25 Cb -0.15 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 1n8r s GLN 25 CO 0.05 0.63 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.73 1n8r s PHE 26 N -0.66 0.73 -0.26 0.91 0.40 -0.08 -1.35 117.98 117.66 1n8r s PHE 26 Ca 0.11 -0.88 -0.13 0.00 -0.60 0.00 0.00 56.93 55.43 1n8r s PHE 26 Cb -0.12 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1n8r s PHE 26 CO 0.02 -0.20 0.27 0.00 0.70 0.00 0.00 175.22 176.02 1n8r s ALA 27 N -3.27 3.56 0.30 5.36 0.00 0.37 -1.27 121.76 126.80 1n8r s ALA 27 Ca 0.06 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1n8r s ALA 27 Cb 0.03 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1n8r s ALA 27 CO -0.05 -0.51 -0.02 0.14 0.00 0.00 0.00 175.76 175.32 1n8r s VAL 28 N 1.73 1.50 -0.04 0.00 -7.23 0.30 0.16 120.40 116.82 1n8r s VAL 28 Ca 0.11 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 1n8r s VAL 28 Cb -0.15 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1n8r s VAL 28 CO 0.09 -0.21 1.51 -0.62 -0.31 0.00 0.00 175.10 175.57 1n8r s ASP 29 N -3.46 6.77 0.00 4.85 -1.08 -0.86 -3.29 116.67 119.60 1n8r s ASP 29 Ca 0.32 2.14 0.00 0.00 -0.52 0.00 0.00 52.55 54.48 1n8r s ASP 29 Cb 0.06 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1n8r s ASP 29 CO 0.13 -0.83 0.63 -0.90 0.52 0.00 0.00 175.17 174.72 1n8r n ASP 30 N 6.28 0.00 -0.01 -0.34 5.75 -1.26 0.30 116.55 127.27 1n8r n ASP 30 Ca 0.15 0.19 0.11 0.00 -0.01 0.00 0.00 54.79 55.24 1n8r n ASP 30 Cb 0.43 -0.19 0.10 0.00 -1.03 0.00 0.00 41.12 40.42 1n8r n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n8r n ARG 31 N -1.13 0.04 -2.60 0.11 1.74 -1.26 -4.93 116.66 108.63 1n8r n ARG 31 Ca 0.00 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.66 1n8r n ARG 31 Cb 0.09 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1n8r n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8r s ALA 32 N -2.98 3.35 0.49 7.54 0.00 0.15 -5.07 121.76 125.24 1n8r s ALA 32 Ca 0.10 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1n8r s ALA 32 Cb 0.17 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1n8r s ALA 32 CO 0.76 -0.01 0.70 -1.54 0.00 0.00 0.00 175.76 175.67 1n8r s SER 33 N -1.07 5.49 0.36 0.00 1.04 -1.26 -4.92 113.70 113.35 1n8r s SER 33 Ca 0.44 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.86 1n8r s SER 33 Cb -0.29 -0.97 0.68 0.00 0.10 0.00 0.00 66.02 65.54 1n8r s SER 33 CO 0.36 -0.95 1.99 0.11 0.98 0.00 0.00 173.24 175.73 1n8r h LYS 34 N 0.29 0.69 0.01 4.02 1.57 -1.97 0.55 116.57 121.72 1n8r h LYS 34 Ca -0.43 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1n8r h LYS 34 Cb 1.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1n8r h LYS 34 CO 0.52 0.51 -0.00 0.78 -0.57 0.00 0.00 179.45 180.68 1n8r h GLY 35 N 0.77 -0.01 0.99 3.86 0.00 -1.96 -0.92 103.07 105.79 1n8r h GLY 35 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1n8r h GLY 35 CO -0.03 -0.00 0.30 0.83 0.00 0.00 0.00 176.54 177.64 1n8r h GLU 36 N -0.21 0.79 -0.82 4.80 5.08 -1.83 -1.47 114.58 120.91 1n8r h GLU 36 Ca -0.00 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1n8r h GLU 36 Cb 0.21 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1n8r h GLU 36 CO 0.00 0.61 0.49 0.28 -1.00 0.00 0.00 179.01 179.39 1n8r h VAL 37 N 0.76 1.01 0.20 3.13 2.07 -0.77 -0.13 116.25 122.51 1n8r h VAL 37 Ca 0.20 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1n8r h VAL 37 Cb 0.05 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1n8r h VAL 37 CO -0.03 0.16 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 1n8r h ALA 38 N 1.40 -0.26 0.97 1.67 0.00 -0.62 -2.19 119.26 120.22 1n8r h ALA 38 Ca 0.36 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1n8r h ALA 38 Cb 0.21 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1n8r h ALA 38 CO -0.19 -0.60 -0.47 -0.44 0.00 0.00 0.00 179.25 177.56 1n8r h ASP 39 N -0.36 -1.10 -0.93 0.00 3.32 -0.93 -2.25 116.42 114.17 1n8r h ASP 39 Ca -0.03 0.04 0.26 0.00 0.02 0.00 0.00 57.03 57.32 1n8r h ASP 39 Cb 0.28 0.28 -0.14 0.00 0.22 0.00 0.00 39.33 39.97 1n8r h ASP 39 CO 0.04 -0.78 0.40 0.00 -1.72 0.00 0.00 179.24 177.19 1n8r h ALA 40 N -1.29 1.57 -0.42 3.45 0.00 -1.08 -0.77 119.26 120.72 1n8r h ALA 40 Ca -0.13 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1n8r h ALA 40 Cb 1.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1n8r h ALA 40 CO 0.22 -0.46 0.13 0.28 0.00 0.00 0.00 179.25 179.41 1n8r h VAL 41 N 0.31 1.22 -0.42 0.00 2.07 -1.20 -2.14 116.25 116.10 1n8r h VAL 41 Ca 0.62 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1n8r h VAL 41 Cb 1.30 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1n8r h VAL 41 CO -0.60 0.26 0.01 -0.33 0.02 0.00 0.00 177.57 176.93 1n8r h GLU 42 N 0.53 0.73 -0.08 1.57 5.08 -0.56 -2.43 114.58 119.42 1n8r h GLU 42 Ca 0.13 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1n8r h GLU 42 Cb 0.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1n8r h GLU 42 CO -0.00 0.80 -0.27 0.93 -1.00 0.00 0.00 179.01 179.47 1n8r h GLU 43 N 0.56 0.13 0.22 2.33 5.08 -1.33 0.60 114.58 122.18 1n8r h GLU 43 Ca 0.12 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 1n8r h GLU 43 Cb 0.46 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.73 1n8r h GLU 43 CO 0.02 0.40 -1.36 1.96 -1.00 0.00 0.00 179.01 179.03 1n8r h GLN 44 N 0.12 0.46 -0.01 2.33 1.08 -1.30 -3.38 115.11 114.41 1n8r h GLN 44 Ca 0.02 -0.78 0.00 0.00 -1.45 0.00 0.00 58.65 56.44 1n8r h GLN 44 Cb 0.54 0.29 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1n8r h GLN 44 CO 0.04 1.37 -0.17 0.66 -0.95 0.00 0.00 178.83 179.79 1n8r n TYR 45 N -3.81 0.00 -3.24 2.96 4.02 -0.92 -5.03 117.16 111.13 1n8r n TYR 45 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.62 1n8r n TYR 45 Cb 1.03 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.37 1n8r n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1n8r n ASP 46 N 0.28 -6.97 -2.86 7.72 -0.08 0.21 -5.04 116.55 109.81 1n8r n ASP 46 Ca 0.07 -0.44 -0.16 0.00 -1.51 0.00 0.00 54.79 52.76 1n8r n ASP 46 Cb 0.33 -4.80 -0.06 0.00 2.34 0.00 0.00 41.12 38.94 1n8r n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1n8r n VAL 47 N -2.54 0.00 -3.92 5.18 0.24 -1.20 -5.07 118.33 111.03 1n8r n VAL 47 Ca -0.06 -1.97 -0.34 0.00 -2.04 0.00 0.00 64.34 59.93 1n8r n VAL 47 Cb 0.56 1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 33.82 1n8r n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1n8r s THR 48 N -3.08 2.80 -0.01 3.34 2.01 -1.26 -4.63 115.64 114.81 1n8r s THR 48 Ca 0.32 -1.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 1n8r s THR 48 Cb 0.01 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1n8r s THR 48 CO 0.23 -0.40 1.34 -0.69 -0.69 0.00 0.00 174.62 174.41 1n8r s VAL 49 N 1.11 3.86 -0.20 3.82 1.01 -1.26 -1.09 120.40 127.66 1n8r s VAL 49 Ca 0.02 1.23 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 1n8r s VAL 49 Cb -0.21 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1n8r s VAL 49 CO -0.04 0.00 0.04 -0.62 0.00 0.00 0.00 175.10 174.48 1n8r n GLU 50 N 5.26 0.70 -3.62 2.72 -0.58 0.49 -4.88 120.64 120.72 1n8r n GLU 50 Ca 0.12 0.21 -0.16 0.00 -0.42 0.00 0.00 57.16 56.91 1n8r n GLU 50 Cb 0.44 -1.61 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 1n8r n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1n8r s GLN 51 N -2.53 0.87 -0.05 3.49 0.74 -1.05 -5.00 119.66 116.13 1n8r s GLN 51 Ca -0.29 0.16 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1n8r s GLN 51 Cb 0.08 0.41 0.02 0.00 1.10 0.00 0.00 33.01 34.61 1n8r s GLN 51 CO 0.67 -0.25 -0.08 0.08 -0.55 0.00 0.00 175.29 175.16 1n8r s VAL 52 N -1.06 0.83 -0.03 1.34 1.01 -1.26 -0.62 120.40 120.61 1n8r s VAL 52 Ca -0.11 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1n8r s VAL 52 Cb -0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1n8r s VAL 52 CO 0.07 0.29 -0.25 0.20 0.00 0.00 0.00 175.10 175.41 1n8r s ASN 53 N 0.72 2.93 0.28 3.32 0.02 -0.36 -4.95 114.94 116.90 1n8r s ASN 53 Ca -0.12 -0.46 0.10 0.00 -1.02 0.00 0.00 52.86 51.35 1n8r s ASN 53 Cb -0.15 -0.48 -0.05 0.00 0.02 0.00 0.00 41.25 40.59 1n8r s ASN 53 CO 0.02 0.28 -0.14 0.42 0.02 0.00 0.00 177.10 177.70 1n8r s THR 54 N -0.44 2.13 -0.26 1.60 -4.23 -1.26 0.34 115.64 113.51 1n8r s THR 54 Ca 0.05 -2.27 -0.21 0.00 -1.18 0.00 0.00 61.69 58.08 1n8r s THR 54 Cb -0.11 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.45 1n8r s THR 54 CO 0.00 -0.38 0.68 -1.58 -0.54 0.00 0.00 174.62 172.80 1n8r s GLN 55 N -3.60 0.76 -0.32 3.99 0.74 -0.42 -4.99 119.66 115.82 1n8r s GLN 55 Ca 0.29 1.03 -0.15 0.00 0.05 0.00 0.00 55.36 56.58 1n8r s GLN 55 Cb -0.01 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 1n8r s GLN 55 CO 0.13 -0.11 0.37 -0.80 -0.55 0.00 0.00 175.29 174.33 1n8r s ASN 56 N 0.79 6.21 0.42 6.67 0.01 -1.26 -0.03 114.94 127.75 1n8r s ASN 56 Ca -0.03 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 51.92 1n8r s ASN 56 Cb -0.05 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.33 1n8r s ASN 56 CO -0.06 -0.30 0.84 -0.89 -1.51 0.00 0.00 177.10 175.19 1n8r s THR 57 N 2.06 4.64 -1.20 1.60 2.01 0.08 -4.94 115.64 119.89 1n8r s THR 57 Ca 0.13 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1n8r s THR 57 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1n8r s THR 57 CO 0.11 -0.46 0.35 0.23 -0.69 0.00 0.00 174.62 174.16 1n8r n MET 58 N -1.07 0.58 0.00 4.92 2.81 -1.26 -1.31 117.12 121.79 1n8r n MET 58 Ca 0.04 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.01 1n8r n MET 58 Cb 0.54 -1.23 0.03 0.00 -0.71 0.00 0.00 33.22 31.84 1n8r n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1n8r n ASP 59 N 0.07 1.90 0.00 7.83 10.43 -1.26 -4.95 116.55 130.57 1n8r n ASP 59 Ca 0.00 -1.45 0.00 0.00 2.57 0.00 0.00 54.79 55.91 1n8r n ASP 59 Cb 0.12 0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.31 1n8r n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n8r n GLY 60 N 0.98 0.92 3.82 0.44 0.00 -0.43 -5.05 105.19 105.88 1n8r n GLY 60 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1n8r n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 61 N -0.66 2.35 -0.16 1.61 2.02 -1.25 -4.94 118.70 117.66 1n8r s GLU 61 Ca 0.00 -1.77 -0.05 0.00 0.02 0.00 0.00 54.97 53.18 1n8r s GLU 61 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1n8r s GLU 61 CO 0.00 -0.25 -0.00 0.21 0.02 0.00 0.00 175.26 175.24 1n8r s LYS 62 N -4.06 3.76 -0.13 1.61 2.20 -1.21 -0.75 119.74 121.16 1n8r s LYS 62 Ca 0.42 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1n8r s LYS 62 Cb -0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1n8r s LYS 62 CO 0.24 0.27 -0.03 0.21 -0.36 0.00 0.00 175.35 175.68 1n8r s LYS 63 N 0.32 3.46 -0.12 4.03 2.20 0.95 -0.53 119.74 130.05 1n8r s LYS 63 Ca -0.01 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1n8r s LYS 63 Cb -0.13 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1n8r s LYS 63 CO 0.02 0.38 -0.21 0.00 -0.36 0.00 0.00 175.35 175.18 1n8r s ALA 64 N 0.00 2.30 -0.42 3.13 0.00 -0.40 -1.30 121.76 125.07 1n8r s ALA 64 Ca 0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1n8r s ALA 64 Cb -0.13 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.08 1n8r s ALA 64 CO 0.02 0.14 0.29 0.08 0.00 0.00 0.00 175.76 176.30 1n8r s VAL 65 N 0.55 4.64 -0.29 0.00 1.01 0.15 -0.90 120.40 125.56 1n8r s VAL 65 Ca -0.13 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.62 1n8r s VAL 65 Cb -0.17 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1n8r s VAL 65 CO 0.04 -0.46 0.12 -0.69 0.00 0.00 0.00 175.10 174.11 1n8r s VAL 66 N 1.53 4.45 -0.15 2.92 1.01 0.12 -1.22 120.40 129.05 1n8r s VAL 66 Ca 0.03 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1n8r s VAL 66 Cb -0.22 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1n8r s VAL 66 CO 0.05 0.16 0.50 -0.60 0.00 0.00 0.00 175.10 175.21 1n8r s ARG 67 N 1.60 4.27 0.50 2.72 3.52 0.21 0.53 118.95 132.30 1n8r s ARG 67 Ca 0.05 0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 1n8r s ARG 67 Cb -0.16 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1n8r s ARG 67 CO 0.05 0.02 0.75 -0.51 -0.81 0.00 0.00 175.30 174.80 1n8r s LEU 68 N 1.08 3.50 0.50 -0.88 1.43 -0.60 -0.38 118.68 123.34 1n8r s LEU 68 Ca 0.25 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.58 1n8r s LEU 68 Cb -0.15 -3.28 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 1n8r s LEU 68 CO 0.10 -0.83 1.01 -0.94 0.23 0.00 0.00 176.35 175.92 1n8r s SER 69 N -4.25 6.44 0.60 2.29 1.04 -0.25 -4.65 113.70 114.91 1n8r s SER 69 Ca 0.50 1.76 0.28 0.00 0.48 0.00 0.00 55.95 58.97 1n8r s SER 69 Cb -0.10 -2.54 1.32 0.00 0.10 0.00 0.00 66.02 64.81 1n8r s SER 69 CO 0.40 -0.71 1.73 -0.33 0.98 0.00 0.00 173.24 175.30 1n8r h GLU 70 N 1.24 0.00 -0.45 4.02 5.08 -1.97 0.50 114.58 123.01 1n8r h GLU 70 Ca -0.48 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 1n8r h GLU 70 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1n8r h GLU 70 CO 0.60 0.00 0.07 0.22 -1.00 0.00 0.00 179.01 178.90 1n8r h ASP 71 N 0.00 0.64 -2.21 1.42 1.82 -1.96 -3.43 116.42 112.70 1n8r h ASP 71 Ca 0.28 -0.12 -0.46 0.00 -0.39 0.00 0.00 57.03 56.35 1n8r h ASP 71 Cb 1.65 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.49 1n8r h ASP 71 CO -0.00 0.66 -0.37 -1.81 -1.61 0.00 0.00 179.24 176.11 1n8r s ASP 72 N -6.65 6.23 -0.22 2.28 1.01 0.18 -5.10 116.67 114.39 1n8r s ASP 72 Ca -0.09 0.08 -0.00 0.00 0.71 0.00 0.00 52.55 53.25 1n8r s ASP 72 Cb 0.15 -1.74 0.06 0.00 1.01 0.00 0.00 42.92 42.40 1n8r s ASP 72 CO 0.78 -0.20 -0.04 -0.62 0.21 0.00 0.00 175.17 175.31 1n8r s ASP 73 N -4.04 3.56 0.15 0.27 -1.08 -1.26 -4.71 116.67 109.57 1n8r s ASP 73 Ca 0.38 -1.05 -0.19 0.00 -0.52 0.00 0.00 52.55 51.17 1n8r s ASP 73 Cb -0.09 -1.05 0.04 0.00 -1.46 0.00 0.00 42.92 40.35 1n8r s ASP 73 CO 0.31 -0.24 1.67 0.00 0.52 0.00 0.00 175.17 177.43 1n8r h ALA 74 N 8.02 0.14 -0.93 3.66 0.00 -1.84 -1.92 119.26 126.39 1n8r h ALA 74 Ca -0.19 0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1n8r h ALA 74 Cb 1.09 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 1n8r h ALA 74 CO 0.40 -0.50 0.34 1.96 0.00 0.00 0.00 179.25 181.45 1n8r h GLN 75 N -0.06 0.22 0.04 0.00 4.20 -1.93 -0.11 115.11 117.48 1n8r h GLN 75 Ca 0.15 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.67 1n8r h GLN 75 Cb 0.28 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.02 1n8r h GLN 75 CO -0.33 0.15 -0.72 0.93 -0.67 0.00 0.00 178.83 178.19 1n8r h GLU 76 N 0.23 0.41 -0.81 1.46 5.08 -1.78 -2.06 114.58 117.11 1n8r h GLU 76 Ca 0.63 -0.50 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1n8r h GLU 76 Cb 1.35 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.70 1n8r h GLU 76 CO -0.66 1.17 0.49 0.28 -1.00 0.00 0.00 179.01 179.29 1n8r h VAL 77 N -0.12 1.04 -0.01 3.13 2.07 -0.73 -1.79 116.25 119.84 1n8r h VAL 77 Ca -0.10 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1n8r h VAL 77 Cb 1.45 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1n8r h VAL 77 CO 0.14 0.17 -0.60 0.00 0.02 0.00 0.00 177.57 177.30 1n8r h ALA 78 N 1.38 0.99 0.00 1.67 0.00 -1.09 -3.22 119.26 118.99 1n8r h ALA 78 Ca 0.35 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n8r h ALA 78 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n8r h ALA 78 CO -0.17 0.74 -0.02 0.66 0.00 0.00 0.00 179.25 180.46 1n8r h SER 79 N 0.04 0.00 -0.09 0.00 4.64 -0.57 -2.85 113.55 114.71 1n8r h SER 79 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1n8r h SER 79 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1n8r h SER 79 CO 0.08 0.02 0.00 -2.11 -0.87 0.00 0.00 176.83 173.95 1n8r n ARG 80 N -3.18 1.36 0.00 4.77 1.85 -1.20 -5.10 116.66 115.16 1n8r n ARG 80 Ca -0.01 -0.54 0.00 0.00 -1.00 0.00 0.00 57.85 56.29 1n8r n ARG 80 Cb 0.19 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1n8r n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06