#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7z h MET 3 N 0.00 0.00 0.00 5.31 -0.00 -1.86 0.44 114.93 118.81 3i7z h MET 3 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 3i7z h MET 3 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 3i7z h MET 3 CO 0.00 0.38 -0.81 1.49 -0.00 0.00 0.00 176.91 177.97 3i7z h GLU 4 N 0.00 0.00 -0.28 -0.10 4.81 -1.97 0.15 114.58 117.19 3i7z h GLU 4 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3i7z h GLU 4 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3i7z h GLU 4 CO 0.05 0.81 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.69 3i7z h LYS 5 N 0.00 0.64 -0.30 1.92 3.64 -1.77 -2.41 116.57 118.30 3i7z h LYS 5 Ca -0.01 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 3i7z h LYS 5 Cb 1.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 3i7z h LYS 5 CO 0.10 0.92 0.06 1.49 -2.27 0.00 0.00 179.45 179.76 3i7z h GLU 6 N 0.38 0.49 -0.75 1.90 4.81 -0.10 -2.49 114.58 118.82 3i7z h GLU 6 Ca 0.05 -0.13 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3i7z h GLU 6 Cb 0.78 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 3i7z h GLU 6 CO 0.06 0.58 0.50 0.35 -0.73 0.00 0.00 179.01 179.77 3i7z h PHE 7 N 0.32 0.52 -0.26 0.92 3.57 -0.69 -2.46 116.94 118.86 3i7z h PHE 7 Ca 0.09 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3i7z h PHE 7 Cb 0.32 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3i7z h PHE 7 CO 0.02 0.20 -0.27 1.49 -2.23 0.00 0.00 178.31 177.52 3i7z h GLU 8 N 0.45 0.64 -0.70 1.11 4.57 -0.97 -2.51 114.58 117.17 3i7z h GLU 8 Ca 0.36 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3i7z h GLU 8 Cb 0.78 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3i7z h GLU 8 CO -0.12 0.95 0.41 1.96 -1.18 0.00 0.00 179.01 181.03 3i7z h GLN 9 N 0.36 0.95 -0.46 1.92 4.20 -1.28 0.42 115.11 121.22 3i7z h GLN 9 Ca 0.04 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3i7z h GLN 9 Cb 0.84 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3i7z h GLN 9 CO 0.07 0.69 -0.10 0.82 -0.67 0.00 0.00 178.83 179.63 3i7z h ILE 10 N 0.95 1.27 0.35 2.54 2.04 -1.46 -0.76 117.51 122.46 3i7z h ILE 10 Ca 0.25 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3i7z h ILE 10 Cb -0.02 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3i7z h ILE 10 CO -0.05 0.42 -0.17 0.44 0.00 0.00 0.00 178.15 178.80 3i7z h ASP 11 N 0.73 -0.40 -0.92 1.72 3.32 -1.37 0.18 116.42 119.68 3i7z h ASP 11 Ca 0.12 -0.15 0.26 0.00 0.02 0.00 0.00 57.03 57.28 3i7z h ASP 11 Cb 0.65 0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.16 3i7z h ASP 11 CO 0.04 -0.01 0.31 0.50 -1.72 0.00 0.00 179.24 178.37 3i7z h LYS 12 N -0.86 0.21 -0.03 3.56 3.64 -0.85 0.12 116.57 122.36 3i7z h LYS 12 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i7z h LYS 12 Cb 0.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3i7z h LYS 12 CO 0.08 0.14 -0.09 -1.13 -2.27 0.00 0.00 179.45 176.17 3i7z n SER 13 N -5.20 2.74 -3.38 4.20 3.41 -0.30 -5.01 113.62 110.08 3i7z n SER 13 Ca 0.25 -1.87 -0.20 0.00 -0.26 0.00 0.00 58.87 56.79 3i7z n SER 13 Cb 0.78 0.10 0.06 0.00 -0.26 0.00 0.00 64.21 64.89 3i7z n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7z n GLY 14 N 1.32 -1.12 0.49 5.00 0.00 0.40 -4.95 105.19 106.33 3i7z n GLY 14 Ca 0.13 0.55 0.09 0.00 0.00 0.00 0.00 46.02 46.78 3i7z n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i7z n SER 15 N -3.00 2.97 -0.15 1.61 7.64 0.15 -4.73 113.62 118.10 3i7z n SER 15 Ca -0.08 -3.13 -0.08 0.00 1.01 0.00 0.00 58.87 56.60 3i7z n SER 15 Cb 0.61 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 3i7z n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3i7z h TRP 16 N 0.84 0.63 -0.85 1.43 4.06 -1.93 0.30 115.95 120.42 3i7z h TRP 16 Ca 0.01 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3i7z h TRP 16 Cb 1.22 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 29.13 3i7z h TRP 16 CO 0.28 0.47 0.56 0.00 -3.56 0.00 0.00 178.44 176.19 3i7z h ALA 17 N 1.10 1.08 -0.03 1.49 0.00 -1.90 0.21 119.26 121.21 3i7z h ALA 17 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i7z h ALA 17 Cb 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3i7z h ALA 17 CO -0.03 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 3i7z h ALA 18 N 1.32 0.05 -0.77 0.00 0.00 -1.74 -1.13 119.26 116.99 3i7z h ALA 18 Ca 0.32 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3i7z h ALA 18 Cb -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3i7z h ALA 18 CO -0.08 -0.18 0.51 0.82 0.00 0.00 0.00 179.25 180.32 3i7z h ILE 19 N -0.37 0.96 -0.14 0.00 1.08 -0.29 -2.19 117.51 116.55 3i7z h ILE 19 Ca 0.01 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 64.09 3i7z h ILE 19 Cb 0.52 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3i7z h ILE 19 CO 0.01 0.13 -0.47 0.22 -0.69 0.00 0.00 178.15 177.35 3i7z h TYR 20 N 0.72 0.74 -0.15 1.37 3.20 -0.46 -2.95 116.97 119.44 3i7z h TYR 20 Ca 0.35 -0.30 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3i7z h TYR 20 Cb 0.41 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3i7z h TYR 20 CO -0.00 1.07 0.12 0.37 -1.64 0.00 0.00 178.16 178.08 3i7z h GLN 21 N 0.20 0.00 -0.26 1.82 5.75 -0.78 -2.08 115.11 119.76 3i7z h GLN 21 Ca -0.02 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.37 3i7z h GLN 21 Cb 1.10 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 3i7z h GLN 21 CO 0.10 0.00 -0.26 -0.44 -2.65 0.00 0.00 178.83 175.58 3i7z h ASP 22 N 0.00 0.68 -0.85 -0.69 3.32 -1.29 -1.59 116.42 115.99 3i7z h ASP 22 Ca 0.07 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.68 3i7z h ASP 22 Cb 0.31 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 3i7z h ASP 22 CO -0.00 1.01 0.55 0.40 -1.72 0.00 0.00 179.24 179.48 3i7z h ILE 23 N 0.36 1.14 -0.59 0.35 2.04 -1.24 -1.39 117.51 118.17 3i7z h ILE 23 Ca 0.04 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3i7z h ILE 23 Cb 0.82 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3i7z h ILE 23 CO 0.06 0.20 0.19 0.03 0.00 0.00 0.00 178.15 178.63 3i7z h ARG 24 N 1.07 0.89 -0.21 2.37 3.08 -1.24 -1.39 114.38 118.94 3i7z h ARG 24 Ca 0.34 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 3i7z h ARG 24 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3i7z h ARG 24 CO -0.11 0.76 -0.50 1.25 -1.07 0.00 0.00 179.97 180.29 3i7z h HIS 25 N 0.86 0.72 -0.00 3.04 2.76 -0.84 -3.20 115.15 118.49 3i7z h HIS 25 Ca 0.20 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3i7z h HIS 25 Cb 0.24 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.06 3i7z h HIS 25 CO 0.02 0.96 -0.42 0.39 -1.30 0.00 0.00 177.93 177.58 3i7z n GLU 26 N -3.98 0.49 -1.52 5.26 1.02 -0.56 -4.95 120.64 116.39 3i7z n GLU 26 Ca -0.03 -0.31 -0.35 0.00 -0.02 0.00 0.00 57.16 56.45 3i7z n GLU 26 Cb 0.58 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.59 3i7z n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7z s ALA 27 N -2.73 2.18 0.67 0.62 0.00 -0.55 -4.97 121.76 116.97 3i7z s ALA 27 Ca 0.18 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 3i7z s ALA 27 Cb 0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3i7z s ALA 27 CO 0.62 -1.81 1.17 -1.12 0.00 0.00 0.00 175.76 174.62 3i7z s SER 28 N -1.83 4.80 -0.21 0.00 0.01 -1.26 -5.05 113.70 110.17 3i7z s SER 28 Ca 0.77 2.23 -0.02 0.00 1.31 0.00 0.00 55.95 60.24 3i7z s SER 28 Cb -0.32 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.39 3i7z s SER 28 CO 0.44 -1.85 0.01 -0.62 0.41 0.00 0.00 173.24 171.62 3i7z s ASP 29 N -2.11 3.21 0.23 2.44 2.15 -1.26 -4.97 116.67 116.36 3i7z s ASP 29 Ca 0.72 -0.93 0.10 0.00 0.43 0.00 0.00 52.55 52.87 3i7z s ASP 29 Cb -0.26 -0.79 -0.05 0.00 -0.30 0.00 0.00 42.92 41.52 3i7z s ASP 29 CO 0.40 -0.28 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.58 3i7z s PHE 30 N 1.70 2.02 0.43 -5.34 0.08 -1.26 -5.12 117.98 110.49 3i7z s PHE 30 Ca -0.02 -0.44 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 3i7z s PHE 30 Cb -0.18 -0.92 -0.08 0.00 -0.57 0.00 0.00 43.02 41.27 3i7z s PHE 30 CO -0.07 0.52 1.14 -1.25 -0.10 0.00 0.00 175.22 175.45 3i7z s PRO 31 N -3.39 3.93 -0.34 0.24 0.04 -1.26 -4.87 135.00 129.36 3i7z s PRO 31 Ca 0.25 1.72 0.06 0.00 0.04 0.00 0.00 61.00 63.07 3i7z s PRO 31 Cb -0.04 -2.51 0.46 0.00 0.04 0.00 0.00 34.50 32.45 3i7z s PRO 31 CO 0.10 -0.39 1.30 0.00 0.04 0.00 0.00 177.00 178.06 3i7z h ARG 33 N 2.12 -0.40 -0.20 0.00 2.43 -1.93 -2.66 114.38 113.74 3i7z h ARG 33 Ca 0.39 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 3i7z h ARG 33 Cb 1.44 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 3i7z h ARG 33 CO 0.85 -0.27 0.09 0.28 -1.51 0.00 0.00 179.97 179.42 3i7z h VAL 34 N -0.41 1.14 -0.80 0.20 2.07 -1.93 -1.44 116.25 115.08 3i7z h VAL 34 Ca 0.08 -0.41 0.23 0.00 0.82 0.00 0.00 66.70 67.42 3i7z h VAL 34 Cb 0.54 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3i7z h VAL 34 CO -0.32 0.14 0.72 0.00 0.02 0.00 0.00 177.57 178.13 3i7z h ALA 35 N 0.95 2.64 -0.00 1.67 0.00 -1.78 -1.23 119.26 121.50 3i7z h ALA 35 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i7z h ALA 35 Cb 0.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i7z h ALA 35 CO -0.01 -1.13 -0.78 1.63 0.00 0.00 0.00 179.25 178.96 3i7z n LYS 36 N -3.83 0.15 -1.67 0.00 4.76 -0.57 -4.69 118.16 112.30 3i7z n LYS 36 Ca 0.17 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.09 3i7z n LYS 36 Cb 1.00 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.70 3i7z n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7z n LEU 37 N -1.33 3.61 -0.30 -0.35 4.77 -0.47 -4.89 117.00 118.04 3i7z n LEU 37 Ca 0.05 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3i7z n LEU 37 Cb 0.34 -1.45 0.14 0.00 -2.33 0.00 0.00 43.42 40.12 3i7z n LEU 37 CO 0.39 -0.98 1.18 -0.65 -1.33 0.00 0.00 177.39 176.00 3i7z h PRO 38 N 1.80 0.91 0.00 3.23 0.11 -1.92 -1.71 132.00 134.42 3i7z h PRO 38 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i7z h PRO 38 Cb 1.31 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i7z h PRO 38 CO 0.58 0.60 0.00 1.57 -0.21 0.00 0.00 178.00 180.55 3i7z h LYS 39 N 0.94 0.00 -0.39 1.05 2.10 -1.95 -1.20 116.57 117.12 3i7z h LYS 39 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3i7z h LYS 39 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3i7z h LYS 39 CO -0.17 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.37 3i7z n ASN 40 N -2.68 3.38 -0.06 7.07 3.02 -0.65 -4.54 115.26 120.79 3i7z n ASN 40 Ca -0.01 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.49 3i7z n ASN 40 Cb 0.11 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3i7z n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3i7z h LYS 41 N 4.11 -0.28 0.00 3.52 1.63 -1.16 -1.66 116.57 122.74 3i7z h LYS 41 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3i7z h LYS 41 Cb 0.94 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 3i7z h LYS 41 CO 0.00 -0.19 0.00 0.27 -3.45 0.00 0.00 179.45 176.08 3i7z n ASN 42 N -5.40 0.00 -0.59 4.20 0.23 -1.26 -2.40 115.26 110.03 3i7z n ASN 42 Ca -0.01 -0.26 0.13 0.00 -0.53 0.00 0.00 54.58 53.92 3i7z n ASN 42 Cb 0.32 -0.17 0.42 0.00 -2.08 0.00 0.00 39.78 38.27 3i7z n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i7z n ARG 43 N -1.17 1.82 -4.93 -3.83 1.74 -0.62 -4.86 116.66 104.81 3i7z n ARG 43 Ca 0.12 -1.19 -0.32 0.00 -0.77 0.00 0.00 57.85 55.68 3i7z n ARG 43 Cb 0.12 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 29.93 3i7z n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3i7z s ASN 44 N -1.95 3.45 0.06 0.55 0.01 -1.01 -4.41 114.94 111.65 3i7z s ASN 44 Ca 0.36 -0.48 -0.15 0.00 -0.71 0.00 0.00 52.86 51.87 3i7z s ASN 44 Cb 0.21 -1.50 -0.21 0.00 0.41 0.00 0.00 41.25 40.16 3i7z s ASN 44 CO 0.32 0.14 1.21 -0.09 -1.51 0.00 0.00 177.10 177.17 3i7z h ARG 45 N 6.86 0.66 -4.89 -0.60 2.43 -1.89 -3.42 114.38 113.52 3i7z h ARG 45 Ca -0.24 -0.64 -0.63 0.00 -0.81 0.00 0.00 59.98 57.66 3i7z h ARG 45 Cb 1.22 0.17 -0.35 0.00 -0.42 0.00 0.00 29.97 30.59 3i7z h ARG 45 CO 0.52 1.24 -0.85 0.71 -1.51 0.00 0.00 179.97 180.08 3i7z s TYR 46 N -3.45 2.37 -1.18 2.20 2.02 -1.26 -5.00 117.35 113.05 3i7z s TYR 46 Ca -0.11 -1.27 0.16 0.00 -0.37 0.00 0.00 57.07 55.48 3i7z s TYR 46 Cb 0.07 -1.68 0.72 0.00 -0.40 0.00 0.00 41.96 40.67 3i7z s TYR 46 CO 0.89 -0.64 1.48 2.89 -1.57 0.00 0.00 175.55 178.60 3i7z n ARG 47 N 4.44 0.10 -0.19 -0.62 1.85 -1.26 -2.40 116.66 118.57 3i7z n ARG 47 Ca -0.19 0.19 0.05 0.00 -1.00 0.00 0.00 57.85 56.91 3i7z n ARG 47 Cb 0.51 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.56 3i7z n ARG 47 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3i7z n ASP 48 N -1.41 2.91 -3.85 2.89 3.85 -1.26 -4.79 116.55 114.88 3i7z n ASP 48 Ca 0.05 -2.21 -0.30 0.00 -0.71 0.00 0.00 54.79 51.62 3i7z n ASP 48 Cb 0.16 -0.25 -0.15 0.00 -1.35 0.00 0.00 41.12 39.52 3i7z n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3i7z s VAL 49 N -1.37 1.31 0.09 2.12 1.01 -1.01 -5.10 120.40 117.44 3i7z s VAL 49 Ca 0.23 -1.45 0.07 0.00 0.00 0.00 0.00 61.98 60.82 3i7z s VAL 49 Cb 0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3i7z s VAL 49 CO 0.11 -0.45 -0.19 -0.44 0.00 0.00 0.00 175.10 174.14 3i7z s SER 50 N 1.43 2.25 0.34 3.32 0.01 -1.26 -4.65 113.70 115.14 3i7z s SER 50 Ca 0.04 -0.65 -0.26 0.00 1.31 0.00 0.00 55.95 56.39 3i7z s SER 50 Cb -0.18 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 65.84 3i7z s SER 50 CO -0.15 0.02 1.03 -2.16 0.41 0.00 0.00 173.24 172.40 3i7z s PRO 51 N -1.80 4.44 0.48 12.44 0.04 -1.26 -4.58 135.00 144.77 3i7z s PRO 51 Ca 0.04 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 3i7z s PRO 51 Cb -0.10 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 3i7z s PRO 51 CO 0.03 0.10 1.30 -0.06 0.04 0.00 0.00 177.00 178.41 3i7z s PHE 52 N -1.47 2.59 0.24 0.56 0.08 -1.26 -4.63 117.98 114.09 3i7z s PHE 52 Ca 0.51 1.42 -0.05 0.00 0.12 0.00 0.00 56.93 58.93 3i7z s PHE 52 Cb -0.24 -3.66 0.43 0.00 -0.57 0.00 0.00 43.02 38.98 3i7z s PHE 52 CO 0.31 -2.32 1.74 -0.44 -0.10 0.00 0.00 175.22 174.41 3i7z h ASP 53 N 2.00 0.32 0.67 1.36 3.32 -1.40 -1.71 116.42 120.97 3i7z h ASP 53 Ca -0.50 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3i7z h ASP 53 Cb 1.27 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3i7z h ASP 53 CO 0.60 0.14 0.00 1.12 -1.72 0.00 0.00 179.24 179.38 3i7z h HIS 54 N 0.48 0.00 0.00 4.55 2.07 -1.92 -3.23 115.15 117.10 3i7z h HIS 54 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 3i7z h HIS 54 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 3i7z h HIS 54 CO -0.15 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.58 3i7z n SER 55 N -2.80 0.77 -4.75 3.10 3.41 -1.10 -5.05 113.62 107.20 3i7z n SER 55 Ca 0.00 -1.25 -0.37 0.00 -0.26 0.00 0.00 58.87 56.99 3i7z n SER 55 Cb 0.22 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 3i7z n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7z s ARG 56 N -0.25 3.19 0.08 4.33 1.70 -0.66 -0.13 118.95 127.19 3i7z s ARG 56 Ca 0.00 2.02 -0.25 0.00 -0.47 0.00 0.00 55.73 57.03 3i7z s ARG 56 Cb 0.00 -2.18 -0.06 0.00 -0.57 0.00 0.00 34.95 32.14 3i7z s ARG 56 CO 0.00 -1.09 0.78 0.42 -1.08 0.00 0.00 175.30 174.33 3i7z s ILE 57 N -1.43 4.64 -0.23 4.99 -1.09 -0.46 -4.73 121.20 122.88 3i7z s ILE 57 Ca 0.72 1.67 -0.07 0.00 -2.23 0.00 0.00 60.65 60.74 3i7z s ILE 57 Cb -0.35 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 3i7z s ILE 57 CO 0.41 0.40 0.07 -0.54 -1.23 0.00 0.00 174.94 174.04 3i7z s LYS 58 N -0.31 3.75 0.57 2.79 1.02 -1.26 -4.12 119.74 122.18 3i7z s LYS 58 Ca 0.38 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.74 3i7z s LYS 58 Cb -0.21 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3i7z s LYS 58 CO 0.24 -0.05 1.21 -0.51 -0.92 0.00 0.00 175.35 175.33 3i7z s LEU 59 N 1.23 3.73 -0.24 3.17 1.43 -0.52 -4.92 118.68 122.55 3i7z s LEU 59 Ca 0.05 2.41 0.05 0.00 -1.03 0.00 0.00 54.13 55.61 3i7z s LEU 59 Cb -0.14 -4.53 0.49 0.00 0.03 0.00 0.00 46.19 42.04 3i7z s LEU 59 CO 0.03 -1.50 1.50 1.41 0.23 0.00 0.00 176.35 178.02 3i7z n HIS 60 N -1.40 1.77 -3.44 0.29 8.25 -1.26 -4.63 115.22 114.80 3i7z n HIS 60 Ca 0.13 -1.01 -0.37 0.00 -0.26 0.00 0.00 57.72 56.20 3i7z n HIS 60 Cb 0.49 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 3i7z n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3i7z s GLN 61 N -2.19 4.21 0.00 -0.41 -2.07 -1.26 -4.97 119.66 112.98 3i7z s GLN 61 Ca 0.37 0.29 0.20 0.00 -1.82 0.00 0.00 55.36 54.41 3i7z s GLN 61 Cb 0.30 -3.39 1.20 0.00 -1.09 0.00 0.00 33.01 30.03 3i7z s GLN 61 CO 0.09 0.30 1.75 -1.91 -1.32 0.00 0.00 175.29 174.19 3i7z n GLU 62 N 3.27 0.96 -0.05 9.60 4.07 -1.26 -3.83 120.64 133.39 3i7z n GLU 62 Ca -0.10 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.97 3i7z n GLU 62 Cb 0.52 -1.33 -0.01 0.00 -0.06 0.00 0.00 31.44 30.57 3i7z n GLU 62 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 3i7z h ASP 63 N 0.00 0.00 -3.00 4.31 3.58 -1.97 -3.47 116.42 115.87 3i7z h ASP 63 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 3i7z h ASP 63 Cb 0.00 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 40.68 3i7z h ASP 63 CO 0.00 0.57 -0.65 0.21 -2.88 0.00 0.00 179.24 176.49 3i7z s ASN 64 N -5.38 1.06 -0.01 2.28 3.84 -1.25 -5.04 114.94 110.43 3i7z s ASN 64 Ca -0.08 0.12 0.16 0.00 0.21 0.00 0.00 52.86 53.27 3i7z s ASN 64 Cb 0.01 0.21 0.48 0.00 -0.55 0.00 0.00 41.25 41.41 3i7z s ASN 64 CO 0.11 -0.27 1.40 -0.90 -2.79 0.00 0.00 177.10 174.65 3i7z n ASP 65 N 5.32 3.00 -4.70 -4.21 5.68 -1.26 -4.75 116.55 115.63 3i7z n ASP 65 Ca -0.05 -2.05 -0.42 0.00 -0.50 0.00 0.00 54.79 51.77 3i7z n ASP 65 Cb 0.50 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 3i7z n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3i7z s TYR 66 N -1.35 3.57 -0.00 2.11 5.04 -1.26 -1.44 117.35 124.02 3i7z s TYR 66 Ca 0.36 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.60 3i7z s TYR 66 Cb 0.20 -3.12 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 3i7z s TYR 66 CO 0.24 -0.12 -0.06 -1.50 -1.34 0.00 0.00 175.55 172.77 3i7z s ILE 67 N 1.54 0.47 -0.97 3.14 2.07 -1.26 -4.91 121.20 121.28 3i7z s ILE 67 Ca 0.48 -0.32 -0.24 0.00 -1.41 0.00 0.00 60.65 59.17 3i7z s ILE 67 Cb -0.19 -0.41 -0.00 0.00 0.13 0.00 0.00 42.46 41.99 3i7z s ILE 67 CO 0.22 0.09 1.72 0.21 -1.91 0.00 0.00 174.94 175.26 3i7z s ASN 68 N -0.26 5.78 -0.19 4.50 3.84 -1.26 -4.59 114.94 122.76 3i7z s ASN 68 Ca 0.01 -1.08 -0.27 0.00 0.21 0.00 0.00 52.86 51.73 3i7z s ASN 68 Cb -0.03 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.18 3i7z s ASN 68 CO -0.00 -2.17 0.72 0.00 -2.79 0.00 0.00 177.10 172.86 3i7z s ALA 69 N 7.71 -1.78 -0.05 1.71 0.00 -1.26 -3.21 121.76 124.87 3i7z s ALA 69 Ca 0.59 1.77 0.04 0.00 0.00 0.00 0.00 51.96 54.37 3i7z s ALA 69 Cb -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 3i7z s ALA 69 CO -0.04 -0.35 -0.19 -1.12 0.00 0.00 0.00 175.76 174.06 3i7z s SER 70 N -0.19 2.34 -0.24 0.00 0.01 0.61 -1.36 113.70 114.87 3i7z s SER 70 Ca -0.04 -0.39 -0.26 0.00 1.31 0.00 0.00 55.95 56.58 3i7z s SER 70 Cb -0.03 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.48 3i7z s SER 70 CO 0.04 0.16 0.88 -0.22 0.41 0.00 0.00 173.24 174.50 3i7z s LEU 71 N 0.08 4.09 -0.46 2.44 2.96 0.81 -1.45 118.68 127.14 3i7z s LEU 71 Ca -0.06 1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 54.87 3i7z s LEU 71 Cb -0.13 -3.27 0.10 0.00 0.50 0.00 0.00 46.19 43.40 3i7z s LEU 71 CO 0.03 -0.55 0.33 -0.63 -1.32 0.00 0.00 176.35 174.22 3i7z s ILE 72 N 2.89 4.40 -0.48 6.68 1.01 0.65 -4.89 121.20 131.46 3i7z s ILE 72 Ca 0.37 -1.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 3i7z s ILE 72 Cb -0.15 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.64 3i7z s ILE 72 CO 0.07 -0.66 0.38 -0.75 0.00 0.00 0.00 174.94 173.98 3i7z s LYS 73 N 1.43 2.77 -0.48 2.79 2.20 -1.26 -1.42 119.74 125.77 3i7z s LYS 73 Ca 0.04 -1.59 -0.19 0.00 -0.36 0.00 0.00 55.97 53.87 3i7z s LYS 73 Cb -0.25 -4.05 0.04 0.00 -1.51 0.00 0.00 37.83 32.06 3i7z s LYS 73 CO 0.01 -1.15 0.59 -1.64 -0.36 0.00 0.00 175.35 172.81 3i7z s MET 74 N 1.51 3.15 -0.02 4.03 -1.94 -0.28 -4.95 119.30 120.79 3i7z s MET 74 Ca 0.04 -0.77 -0.18 0.00 -1.71 0.00 0.00 55.69 53.07 3i7z s MET 74 Cb -0.26 -4.04 -0.10 0.00 2.01 0.00 0.00 34.83 32.43 3i7z s MET 74 CO 0.03 -1.11 0.77 1.49 -0.01 0.00 0.00 175.02 176.19 3i7z h GLU 75 N 8.92 -0.62 -0.61 2.03 4.81 -1.96 0.10 114.58 127.25 3i7z h GLU 75 Ca -0.27 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.07 3i7z h GLU 75 Cb 1.10 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 3i7z h GLU 75 CO 0.92 -0.42 0.31 1.49 -0.73 0.00 0.00 179.01 180.58 3i7z h GLU 76 N -1.12 0.56 0.00 1.92 4.81 -1.98 -2.01 114.58 116.77 3i7z h GLU 76 Ca -0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3i7z h GLU 76 Cb 0.50 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3i7z h GLU 76 CO 0.11 0.37 -0.24 0.00 -0.73 0.00 0.00 179.01 178.51 3i7z h ALA 77 N 1.34 0.92 -4.38 2.92 0.00 -1.93 -3.48 119.26 114.65 3i7z h ALA 77 Ca 0.28 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 3i7z h ALA 77 Cb 0.22 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 18.07 3i7z h ALA 77 CO -0.20 0.30 -0.48 1.04 0.00 0.00 0.00 179.25 179.91 3i7z n GLN 78 N -3.27 -5.33 -4.48 0.00 6.02 0.33 -4.93 117.38 105.72 3i7z n GLN 78 Ca 0.01 0.58 -0.20 0.00 -0.01 0.00 0.00 57.00 57.38 3i7z n GLN 78 Cb 0.52 -4.84 -0.15 0.00 1.02 0.00 0.00 30.24 26.80 3i7z n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i7z s ARG 79 N -5.71 0.91 -0.00 -1.09 3.52 -1.02 -4.95 118.95 110.60 3i7z s ARG 79 Ca 0.32 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 3i7z s ARG 79 Cb -0.14 -0.88 -0.03 0.00 -1.56 0.00 0.00 34.95 32.34 3i7z s ARG 79 CO 0.50 0.24 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.99 3i7z s SER 80 N -0.34 4.20 0.10 -2.12 0.01 -1.26 -1.12 113.70 113.17 3i7z s SER 80 Ca 0.04 -0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.13 3i7z s SER 80 Cb -0.05 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 3i7z s SER 80 CO -0.00 0.30 -0.19 -0.31 0.41 0.00 0.00 173.24 173.45 3i7z s TYR 81 N -0.89 1.65 -0.32 2.43 1.51 -0.51 -3.92 117.35 117.30 3i7z s TYR 81 Ca 0.14 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.68 3i7z s TYR 81 Cb -0.11 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 3i7z s TYR 81 CO 0.04 0.18 0.12 0.42 -1.11 0.00 0.00 175.55 175.21 3i7z s ILE 82 N -1.36 4.18 -0.14 2.71 1.01 -0.23 -0.26 121.20 127.12 3i7z s ILE 82 Ca 0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 3i7z s ILE 82 Cb -0.09 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3i7z s ILE 82 CO 0.04 -0.01 0.33 -0.76 0.00 0.00 0.00 174.94 174.54 3i7z s LEU 83 N 1.52 4.27 0.18 2.97 1.02 -0.53 0.23 118.68 128.33 3i7z s LEU 83 Ca 0.02 0.59 0.00 0.00 0.02 0.00 0.00 54.13 54.77 3i7z s LEU 83 Cb -0.18 -2.44 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 3i7z s LEU 83 CO 0.04 0.10 0.06 0.28 0.02 0.00 0.00 176.35 176.85 3i7z s THR 84 N 0.38 0.36 0.60 5.49 -1.32 -0.56 -0.29 115.64 120.30 3i7z s THR 84 Ca 0.19 -1.97 -0.07 0.00 -1.21 0.00 0.00 61.69 58.63 3i7z s THR 84 Cb -0.14 -2.26 -0.00 0.00 -1.51 0.00 0.00 72.50 68.59 3i7z s THR 84 CO 0.06 -0.30 0.93 0.00 -2.21 0.00 0.00 174.62 173.10 3i7z s GLN 85 N -4.02 3.05 -0.10 7.08 -2.07 -1.20 -3.57 119.66 118.83 3i7z s GLN 85 Ca 0.29 0.18 -0.29 0.00 -1.82 0.00 0.00 55.36 53.71 3i7z s GLN 85 Cb 0.07 -2.22 -0.05 0.00 -1.09 0.00 0.00 33.01 29.72 3i7z s GLN 85 CO 0.07 -0.69 1.61 0.20 -1.32 0.00 0.00 175.29 175.16 3i7z s GLY 86 N -4.28 1.48 0.34 2.60 0.00 0.43 -4.87 107.32 103.03 3i7z s GLY 86 Ca 0.54 0.80 -0.23 0.00 0.00 0.00 0.00 44.72 45.83 3i7z s GLY 86 CO 0.47 2.98 0.28 -1.05 0.00 0.00 0.00 173.10 175.79 3i7z n PRO 87 N 7.18 0.09 -4.03 2.90 -0.02 -1.26 -4.58 135.00 135.28 3i7z n PRO 87 Ca 0.17 0.03 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 3i7z n PRO 87 Cb 0.43 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.81 3i7z n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i7z s LEU 88 N 3.58 4.06 0.53 2.45 1.43 -1.26 -1.08 118.68 128.39 3i7z s LEU 88 Ca 0.61 -0.10 0.32 0.00 -1.03 0.00 0.00 54.13 53.94 3i7z s LEU 88 Cb -0.72 -2.60 1.48 0.00 0.03 0.00 0.00 46.19 44.38 3i7z s LEU 88 CO 0.60 -0.06 1.86 -0.65 0.23 0.00 0.00 176.35 178.33 3i7z h PRO 89 N 1.32 0.03 -0.01 1.29 0.11 -1.96 0.15 132.00 132.93 3i7z h PRO 89 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i7z h PRO 89 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i7z h PRO 89 CO 0.61 0.02 -0.38 0.27 -0.21 0.00 0.00 178.00 178.30 3i7z n ASN 90 N -4.26 1.23 -0.19 -2.05 6.94 -1.26 -4.22 115.26 111.45 3i7z n ASN 90 Ca 0.21 -1.00 0.07 0.00 -0.02 0.00 0.00 54.58 53.84 3i7z n ASN 90 Cb 1.04 0.29 0.12 0.00 -2.36 0.00 0.00 39.78 38.87 3i7z n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i7z n THR 91 N -0.62 1.62 -0.09 5.53 -2.24 0.51 -4.63 114.28 114.37 3i7z n THR 91 Ca 0.10 -1.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.01 3i7z n THR 91 Cb 0.38 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3i7z n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7z h GLY 93 N 0.26 1.22 0.87 0.00 0.00 -1.89 -2.50 103.07 101.05 3i7z h GLY 93 Ca 0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3i7z h GLY 93 CO 0.00 0.29 -0.14 0.45 0.00 0.00 0.00 176.54 177.14 3i7z h HIS 94 N 0.96 0.64 -0.64 5.60 3.86 -1.73 -1.55 115.15 122.29 3i7z h HIS 94 Ca 0.37 -0.16 0.13 0.00 -1.16 0.00 0.00 60.37 59.54 3i7z h HIS 94 Cb 0.20 -0.15 -0.09 0.00 1.06 0.00 0.00 27.41 28.43 3i7z h HIS 94 CO -0.00 0.81 0.14 0.35 0.86 0.00 0.00 177.93 180.09 3i7z h PHE 95 N 0.28 0.22 0.05 2.45 3.04 -0.59 0.85 116.94 123.23 3i7z h PHE 95 Ca 0.06 0.04 -0.23 0.00 3.98 0.00 0.00 57.97 61.82 3i7z h PHE 95 Cb 0.65 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 3i7z h PHE 95 CO 0.06 -0.05 -1.05 -1.49 -2.02 0.00 0.00 178.31 173.77 3i7z h TRP 96 N 0.26 0.24 -0.40 0.41 4.06 -1.33 -1.60 115.95 117.59 3i7z h TRP 96 Ca 0.34 -0.16 0.08 0.00 2.06 0.00 0.00 58.89 61.21 3i7z h TRP 96 Cb 0.53 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 28.59 3i7z h TRP 96 CO -0.26 1.08 -0.23 1.49 -3.56 0.00 0.00 178.44 176.96 3i7z h GLU 97 N 0.05 -0.16 -0.06 0.49 4.81 -0.92 0.62 114.58 119.42 3i7z h GLU 97 Ca -0.06 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3i7z h GLU 97 Cb 1.76 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.15 3i7z h GLU 97 CO 0.16 -0.11 -0.11 1.98 -0.73 0.00 0.00 179.01 180.20 3i7z h MET 98 N -0.16 -0.16 -0.60 1.92 4.05 -0.46 0.50 114.93 120.02 3i7z h MET 98 Ca 0.19 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.71 3i7z h MET 98 Cb 0.47 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 3i7z h MET 98 CO -0.50 -0.11 0.24 0.28 0.23 0.00 0.00 176.91 177.06 3i7z h VAL 99 N -0.17 0.81 0.47 -5.77 2.07 -1.03 0.34 116.25 112.97 3i7z h VAL 99 Ca 0.06 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3i7z h VAL 99 Cb 0.25 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3i7z h VAL 99 CO -0.16 0.08 -0.22 -0.25 0.02 0.00 0.00 177.57 177.04 3i7z h TRP 100 N 0.44 -0.58 -0.94 1.57 2.91 -0.56 -1.29 115.95 117.50 3i7z h TRP 100 Ca 0.30 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.34 3i7z h TRP 100 Cb 0.34 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 3i7z h TRP 100 CO -0.15 -0.26 0.61 0.93 -1.03 0.00 0.00 178.44 178.54 3i7z h GLU 101 N -0.91 1.14 -0.00 2.65 5.08 0.31 -1.23 114.58 121.62 3i7z h GLU 101 Ca -0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3i7z h GLU 101 Cb 0.58 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i7z h GLU 101 CO 0.10 0.76 -0.05 1.04 -1.00 0.00 0.00 179.01 179.86 3i7z n GLN 102 N -4.49 0.95 -2.84 2.33 1.13 0.12 -4.93 117.38 109.64 3i7z n GLN 102 Ca 0.13 -0.29 -0.19 0.00 -1.94 0.00 0.00 57.00 54.70 3i7z n GLN 102 Cb 0.10 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 28.99 3i7z n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3i7z n LYS 103 N -0.77 -3.91 -2.30 -1.09 5.02 -0.47 -3.99 118.16 110.66 3i7z n LYS 103 Ca 0.18 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.90 3i7z n LYS 103 Cb 0.24 -5.39 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 3i7z n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i7z s SER 104 N -2.68 6.36 -0.06 4.39 0.01 -0.57 -0.39 113.70 120.75 3i7z s SER 104 Ca 0.23 2.29 0.12 0.00 1.31 0.00 0.00 55.95 59.91 3i7z s SER 104 Cb -0.10 -2.61 -0.18 0.00 0.21 0.00 0.00 66.02 63.34 3i7z s SER 104 CO 0.29 -0.79 0.18 -1.14 0.41 0.00 0.00 173.24 172.19 3i7z n ARG 105 N -0.24 1.07 -4.29 12.44 3.00 -1.26 -4.86 116.66 122.53 3i7z n ARG 105 Ca 0.06 -0.07 -0.20 0.00 -0.00 0.00 0.00 57.85 57.64 3i7z n ARG 105 Cb 0.48 -1.31 -0.11 0.00 0.00 0.00 0.00 32.46 31.51 3i7z n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3i7z s GLY 106 N -3.91 1.25 -0.09 5.14 0.00 -1.26 -1.07 107.32 107.37 3i7z s GLY 106 Ca -0.05 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.28 3i7z s GLY 106 CO 0.52 -1.45 -0.09 0.14 0.00 0.00 0.00 173.10 172.22 3i7z s VAL 107 N -2.09 1.04 -0.31 1.40 1.01 0.41 -2.14 120.40 119.71 3i7z s VAL 107 Ca 0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3i7z s VAL 107 Cb -0.05 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 3i7z s VAL 107 CO 0.05 0.35 0.15 -0.69 0.00 0.00 0.00 175.10 174.96 3i7z s VAL 108 N 1.25 4.52 -0.20 2.92 1.01 0.35 -0.50 120.40 129.75 3i7z s VAL 108 Ca -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3i7z s VAL 108 Cb -0.14 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3i7z s VAL 108 CO -0.03 0.04 0.02 -0.32 0.00 0.00 0.00 175.10 174.81 3i7z s MET 109 N 1.59 3.66 0.00 2.72 0.00 0.19 -1.40 119.30 126.07 3i7z s MET 109 Ca 0.04 -0.50 0.11 0.00 0.00 0.00 0.00 55.69 55.34 3i7z s MET 109 Cb -0.17 -3.12 0.09 0.00 0.00 0.00 0.00 34.83 31.62 3i7z s MET 109 CO 0.06 0.02 0.85 1.28 0.00 0.00 0.00 175.02 177.23 3i7z n LEU 110 N 4.24 1.93 0.00 4.11 4.77 -0.73 -0.32 117.00 131.01 3i7z n LEU 110 Ca -0.17 -1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 54.50 3i7z n LEU 110 Cb 0.52 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3i7z n LEU 110 CO 0.32 0.37 -0.21 -0.46 -1.33 0.00 0.00 177.39 176.08 3i7z n ASN 111 N 0.62 3.28 -4.62 -1.43 6.94 -1.25 -4.49 115.26 114.30 3i7z n ASN 111 Ca 0.06 -3.05 -0.25 0.00 -0.02 0.00 0.00 54.58 51.33 3i7z n ASN 111 Cb 0.28 0.31 -0.08 0.00 -2.36 0.00 0.00 39.78 37.93 3i7z n ASN 111 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3i7z s ARG 112 N -3.71 2.23 0.58 -3.83 0.52 -1.26 -4.78 118.95 108.70 3i7z s ARG 112 Ca 0.01 -1.30 0.28 0.00 -0.52 0.00 0.00 55.73 54.20 3i7z s ARG 112 Cb -0.00 -2.20 1.63 0.00 0.52 0.00 0.00 34.95 34.90 3i7z s ARG 112 CO 0.01 0.41 2.10 0.28 0.02 0.00 0.00 175.30 178.12 3i7z h VAL 113 N 2.34 0.51 -3.31 3.52 2.07 -1.94 -3.40 116.25 116.04 3i7z h VAL 113 Ca -0.46 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 66.78 3i7z h VAL 113 Cb 1.22 0.84 -0.34 0.00 -1.52 0.00 0.00 31.29 31.49 3i7z h VAL 113 CO 0.58 0.00 -0.66 -0.32 0.02 0.00 0.00 177.57 177.18 3i7z s MET 114 N -4.68 0.02 -0.04 1.57 -2.45 -1.26 -1.31 119.30 111.14 3i7z s MET 114 Ca -0.05 0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 3i7z s MET 114 Cb 0.16 -0.26 0.02 0.00 1.25 0.00 0.00 34.83 35.99 3i7z s MET 114 CO 0.57 -0.22 -0.06 -1.21 1.05 0.00 0.00 175.02 175.15 3i7z s GLU 115 N 1.49 0.94 -1.56 4.11 2.02 -0.32 -4.78 118.70 120.60 3i7z s GLU 115 Ca -0.05 -0.15 -0.08 0.00 0.02 0.00 0.00 54.97 54.71 3i7z s GLU 115 Cb -0.12 -0.90 0.07 0.00 0.10 0.00 0.00 34.13 33.28 3i7z s GLU 115 CO -0.05 -0.05 0.51 1.63 0.02 0.00 0.00 175.26 177.32 3i7z n LYS 116 N 3.96 -2.86 -0.85 1.61 4.76 -1.26 -0.10 118.16 123.41 3i7z n LYS 116 Ca -0.25 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3i7z n LYS 116 Cb 0.51 -4.63 0.00 0.00 -1.84 0.00 0.00 35.03 29.07 3i7z n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7z n GLY 117 N -1.81 0.32 3.86 0.72 0.00 -1.26 -4.98 105.19 102.03 3i7z n GLY 117 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3i7z n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i7z s SER 118 N -2.21 6.19 -0.24 1.61 0.01 0.85 -5.06 113.70 114.85 3i7z s SER 118 Ca 0.00 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 3i7z s SER 118 Cb 0.00 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 3i7z s SER 118 CO 0.00 0.31 1.24 -0.76 0.41 0.00 0.00 173.24 174.45 3i7z s LEU 119 N -1.58 4.04 -0.02 2.44 1.02 -1.26 -1.17 118.68 122.15 3i7z s LEU 119 Ca 0.22 1.42 0.13 0.00 0.02 0.00 0.00 54.13 55.92 3i7z s LEU 119 Cb -0.12 -3.54 -0.19 0.00 0.02 0.00 0.00 46.19 42.36 3i7z s LEU 119 CO 0.13 -0.89 0.31 0.29 0.02 0.00 0.00 176.35 176.21 3i7z n LYS 120 N 6.88 0.70 -3.58 1.70 4.76 -0.43 -4.96 118.16 123.23 3i7z n LYS 120 Ca 0.14 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.36 3i7z n LYS 120 Cb 0.46 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 3i7z n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i7z s ALA 122 N -0.79 2.91 -1.02 0.00 0.00 -0.24 -4.71 121.76 117.91 3i7z s ALA 122 Ca -0.03 0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 3i7z s ALA 122 Cb -0.01 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3i7z s ALA 122 CO 0.02 -0.62 1.50 -1.14 0.00 0.00 0.00 175.76 175.52 3i7z s GLN 123 N -4.35 3.50 0.00 0.00 2.00 -1.26 -4.80 119.66 114.75 3i7z s GLN 123 Ca 0.60 -1.06 0.24 0.00 -2.00 0.00 0.00 55.36 53.13 3i7z s GLN 123 Cb -0.13 -5.34 0.34 0.00 0.80 0.00 0.00 33.01 28.68 3i7z s GLN 123 CO 0.39 -2.32 1.35 2.48 -0.50 0.00 0.00 175.29 176.69 3i7z n TYR 124 N 9.34 0.22 -4.15 1.67 4.11 -1.26 -4.87 117.16 122.22 3i7z n TYR 124 Ca 0.34 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.90 57.96 3i7z n TYR 124 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.73 3i7z n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 3i7z s TRP 125 N -1.78 1.07 0.13 -3.48 -2.14 -1.26 -5.05 118.94 106.42 3i7z s TRP 125 Ca 0.33 -0.46 -0.31 0.00 2.66 0.00 0.00 56.10 58.32 3i7z s TRP 125 Cb 0.21 -0.61 -0.09 0.00 -3.10 0.00 0.00 33.47 29.89 3i7z s TRP 125 CO 0.31 0.02 1.45 -2.14 -2.66 0.00 0.00 176.95 173.93 3i7z s PRO 126 N -1.64 4.28 0.16 3.25 0.02 -1.26 -4.94 135.00 134.87 3i7z s PRO 126 Ca -0.04 2.17 0.25 0.00 0.02 0.00 0.00 61.00 63.40 3i7z s PRO 126 Cb -0.10 -3.24 0.58 0.00 0.02 0.00 0.00 34.50 31.77 3i7z s PRO 126 CO 0.02 -0.50 1.55 1.04 -0.33 0.00 0.00 177.00 178.77 3i7z n GLN 127 N 4.04 0.27 -4.25 5.54 6.02 -1.26 -4.60 117.38 123.13 3i7z n GLN 127 Ca 0.12 0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 57.04 3i7z n GLN 127 Cb 0.41 -1.74 -0.16 0.00 1.02 0.00 0.00 30.24 29.77 3i7z n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i7z s LYS 128 N -3.13 1.09 0.32 -1.09 1.02 -1.26 -5.03 119.74 111.66 3i7z s LYS 128 Ca 0.09 -0.19 0.09 0.00 0.02 0.00 0.00 55.97 55.98 3i7z s LYS 128 Cb 0.13 -1.04 0.90 0.00 -0.52 0.00 0.00 37.83 37.30 3i7z s LYS 128 CO 0.66 -0.07 1.69 0.93 -0.92 0.00 0.00 175.35 177.63 3i7z h GLU 129 N 7.22 0.39 -0.00 1.68 3.07 -1.89 -0.11 114.58 124.95 3i7z h GLU 129 Ca -0.35 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3i7z h GLU 129 Cb 1.16 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3i7z h GLU 129 CO 0.46 0.26 -0.10 -0.85 -1.40 0.00 0.00 179.01 177.38 3i7z n GLU 130 N -5.03 0.22 -3.93 2.33 0.00 -1.26 -4.32 120.64 108.66 3i7z n GLU 130 Ca 0.27 -0.04 -0.30 0.00 0.00 0.00 0.00 57.16 57.08 3i7z n GLU 130 Cb 0.80 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.60 3i7z n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i7z s LYS 131 N -2.81 1.89 0.71 3.44 1.02 -0.05 -5.11 119.74 118.83 3i7z s LYS 131 Ca 0.19 -2.54 -0.11 0.00 0.02 0.00 0.00 55.97 53.53 3i7z s LYS 131 Cb 0.19 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3i7z s LYS 131 CO 0.53 -1.11 1.09 -1.83 -0.92 0.00 0.00 175.35 173.11 3i7z s GLU 132 N -0.19 2.84 -0.04 1.68 1.03 -1.26 -4.47 118.70 118.29 3i7z s GLU 132 Ca 0.17 0.50 0.01 0.00 0.03 0.00 0.00 54.97 55.68 3i7z s GLU 132 Cb -0.26 -2.02 -0.03 0.00 -0.80 0.00 0.00 34.13 31.02 3i7z s GLU 132 CO -0.00 -1.06 -0.02 -1.64 -1.33 0.00 0.00 175.26 171.21 3i7z s MET 133 N -5.32 2.81 -0.14 -4.83 -1.94 0.56 -4.98 119.30 105.45 3i7z s MET 133 Ca 0.58 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 54.03 3i7z s MET 133 Cb -0.11 -2.67 0.01 0.00 2.01 0.00 0.00 34.83 34.06 3i7z s MET 133 CO 0.52 0.65 -0.22 0.42 -0.01 0.00 0.00 175.02 176.39 3i7z s ILE 134 N -0.98 2.09 -0.50 2.53 1.01 -1.26 -0.76 121.20 123.32 3i7z s ILE 134 Ca 0.16 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 3i7z s ILE 134 Cb -0.11 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.62 3i7z s ILE 134 CO 0.06 0.55 0.44 -0.36 0.00 0.00 0.00 174.94 175.63 3i7z s PHE 135 N 0.83 3.24 0.13 3.97 0.08 -0.36 -4.94 117.98 120.94 3i7z s PHE 135 Ca -0.06 -1.07 -0.11 0.00 0.12 0.00 0.00 56.93 55.80 3i7z s PHE 135 Cb -0.15 -3.44 -0.08 0.00 -0.57 0.00 0.00 43.02 38.78 3i7z s PHE 135 CO -0.02 -0.89 1.41 0.93 -0.10 0.00 0.00 175.22 176.55 3i7z h GLU 136 N 8.82 0.88 -0.69 0.44 5.08 -1.97 -0.50 114.58 126.64 3i7z h GLU 136 Ca -0.29 -0.55 0.01 0.00 -1.00 0.00 0.00 59.36 57.53 3i7z h GLU 136 Cb 1.11 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3i7z h GLU 136 CO 0.95 1.19 0.46 0.38 -1.00 0.00 0.00 179.01 180.99 3i7z h ASP 137 N 0.68 0.78 -0.26 1.42 2.03 -1.97 -2.89 116.42 116.20 3i7z h ASP 137 Ca 0.02 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i7z h ASP 137 Cb 1.14 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 3i7z h ASP 137 CO 0.12 0.56 0.00 0.35 -1.03 0.00 0.00 179.24 179.24 3i7z n THR 138 N -4.44 0.78 -3.75 1.15 -2.24 -1.18 -5.01 114.28 99.58 3i7z n THR 138 Ca 0.08 -0.89 -0.24 0.00 -2.27 0.00 0.00 64.05 60.73 3i7z n THR 138 Cb 0.05 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 3i7z n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i7z n ASN 139 N 0.51 -1.81 -4.29 3.42 5.15 -0.25 -4.94 115.26 113.05 3i7z n ASN 139 Ca 0.10 -0.90 -0.21 0.00 -0.60 0.00 0.00 54.58 52.96 3i7z n ASN 139 Cb 0.39 -3.70 -0.12 0.00 -0.53 0.00 0.00 39.78 35.82 3i7z n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i7z s LEU 140 N -6.67 2.37 -0.02 1.20 1.43 -0.85 -1.83 118.68 114.32 3i7z s LEU 140 Ca 0.10 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 3i7z s LEU 140 Cb -0.03 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 3i7z s LEU 140 CO 0.84 -0.03 -0.18 -0.75 0.23 0.00 0.00 176.35 176.45 3i7z s LYS 141 N -2.41 1.54 -0.05 1.70 2.20 0.59 -1.22 119.74 122.09 3i7z s LYS 141 Ca 0.10 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 3i7z s LYS 141 Cb -0.07 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.80 3i7z s LYS 141 CO 0.05 0.38 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.17 3i7z s LEU 142 N -0.38 1.47 -0.04 5.43 2.96 0.06 -0.13 118.68 128.05 3i7z s LEU 142 Ca 0.06 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3i7z s LEU 142 Cb -0.08 -0.61 0.03 0.00 0.50 0.00 0.00 46.19 46.03 3i7z s LEU 142 CO -0.00 -0.01 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.12 3i7z s THR 143 N 0.79 0.27 -0.05 3.68 2.01 -0.37 -0.32 115.64 121.66 3i7z s THR 143 Ca -0.13 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 3i7z s THR 143 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 3i7z s THR 143 CO 0.02 0.19 1.39 -0.22 -0.69 0.00 0.00 174.62 175.31 3i7z s LEU 144 N 1.34 4.29 -0.24 4.42 2.96 -1.26 -1.03 118.68 129.16 3i7z s LEU 144 Ca -0.05 2.02 0.01 0.00 -0.22 0.00 0.00 54.13 55.89 3i7z s LEU 144 Cb -0.13 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 3i7z s LEU 144 CO -0.02 -0.74 -0.22 -0.38 -1.32 0.00 0.00 176.35 173.67 3i7z n ILE 145 N 4.91 1.37 -3.50 6.68 2.08 0.28 -4.34 119.36 126.84 3i7z n ILE 145 Ca 0.14 -0.52 -0.10 0.00 0.56 0.00 0.00 62.75 62.82 3i7z n ILE 145 Cb 0.44 -1.36 -0.02 0.00 -0.75 0.00 0.00 39.64 37.95 3i7z n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3i7z s SER 146 N -6.35 -0.47 -0.24 4.38 1.04 -1.18 -4.97 113.70 105.92 3i7z s SER 146 Ca -0.32 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 3i7z s SER 146 Cb 0.08 0.55 0.13 0.00 0.10 0.00 0.00 66.02 66.88 3i7z s SER 146 CO 0.55 -0.91 0.39 -1.83 0.98 0.00 0.00 173.24 172.41 3i7z s GLU 147 N -3.58 0.34 -0.65 4.02 -1.05 -1.26 -1.42 118.70 115.10 3i7z s GLU 147 Ca 0.04 0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 55.21 3i7z s GLU 147 Cb -0.02 -0.32 0.03 0.00 -0.44 0.00 0.00 34.13 33.39 3i7z s GLU 147 CO -0.09 -0.57 1.22 0.34 0.95 0.00 0.00 175.26 177.11 3i7z s ASP 148 N 2.56 6.32 -0.16 0.83 2.15 -0.57 -4.95 116.67 122.84 3i7z s ASP 148 Ca 0.10 -0.16 -0.20 0.00 0.43 0.00 0.00 52.55 52.73 3i7z s ASP 148 Cb -0.15 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3i7z s ASP 148 CO -0.15 -1.63 0.57 -0.63 -0.17 0.00 0.00 175.17 173.16 3i7z s ILE 149 N 5.27 5.08 0.47 4.11 1.01 -1.26 -2.04 121.20 133.85 3i7z s ILE 149 Ca 0.39 1.10 0.04 0.00 0.00 0.00 0.00 60.65 62.19 3i7z s ILE 149 Cb -0.08 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3i7z s ILE 149 CO 0.21 0.19 0.07 -0.54 0.00 0.00 0.00 174.94 174.87 3i7z s LYS 150 N 1.41 2.14 0.27 2.79 1.02 0.23 -5.01 119.74 122.59 3i7z s LYS 150 Ca 0.28 -2.21 -0.01 0.00 0.02 0.00 0.00 55.97 54.05 3i7z s LYS 150 Cb -0.16 -1.68 0.45 0.00 -0.52 0.00 0.00 37.83 35.92 3i7z s LYS 150 CO 0.11 -0.27 1.87 0.66 -0.92 0.00 0.00 175.35 176.80 3i7z h SER 151 N 1.41 1.01 0.00 2.83 4.64 -1.78 -3.26 113.55 118.40 3i7z h SER 151 Ca -0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3i7z h SER 151 Cb 1.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3i7z h SER 151 CO 0.74 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 177.31 3i7z n TYR 152 N -4.54 0.00 -3.87 4.77 4.11 -1.26 -4.98 117.16 111.40 3i7z n TYR 152 Ca 0.16 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.90 57.80 3i7z n TYR 152 Cb 0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.34 39.54 3i7z n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3i7z s TYR 153 N -0.37 -0.08 -0.13 -3.48 1.13 -1.23 -1.89 117.35 111.30 3i7z s TYR 153 Ca 0.00 -0.41 -0.05 0.00 -1.41 0.00 0.00 57.07 55.20 3i7z s TYR 153 Cb 0.00 0.68 0.06 0.00 -1.10 0.00 0.00 41.96 41.60 3i7z s TYR 153 CO 0.00 -1.27 0.29 0.99 -2.51 0.00 0.00 175.55 173.04 3i7z s THR 154 N -3.66 -0.30 -0.09 -3.49 2.01 -0.51 -0.60 115.64 109.00 3i7z s THR 154 Ca 0.13 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 3i7z s THR 154 Cb -0.05 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 3i7z s THR 154 CO 0.08 0.09 0.32 -0.69 -0.69 0.00 0.00 174.62 173.73 3i7z s VAL 155 N 2.02 5.24 0.09 3.82 1.01 -0.87 -1.58 120.40 130.14 3i7z s VAL 155 Ca -0.03 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.65 3i7z s VAL 155 Cb -0.11 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3i7z s VAL 155 CO -0.09 0.50 -0.21 -0.13 0.00 0.00 0.00 175.10 175.16 3i7z s ARG 156 N -0.36 1.19 -0.26 2.72 0.52 0.37 -1.51 118.95 121.62 3i7z s ARG 156 Ca 0.19 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 3i7z s ARG 156 Cb -0.14 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 33.84 3i7z s ARG 156 CO 0.08 0.35 0.09 -0.65 0.02 0.00 0.00 175.30 175.18 3i7z s GLN 157 N -1.80 3.65 0.14 3.54 -0.21 -0.51 -1.13 119.66 123.34 3i7z s GLN 157 Ca 0.07 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 55.03 3i7z s GLN 157 Cb -0.10 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3i7z s GLN 157 CO 0.04 -0.21 0.00 -0.51 -2.12 0.00 0.00 175.29 172.49 3i7z s LEU 158 N 1.63 3.38 -0.22 2.90 1.43 0.08 -0.56 118.68 127.32 3i7z s LEU 158 Ca 0.06 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3i7z s LEU 158 Cb -0.15 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.01 3i7z s LEU 158 CO 0.05 0.12 -0.10 -0.70 0.23 0.00 0.00 176.35 175.95 3i7z s GLU 159 N -2.67 3.00 -0.18 1.70 2.12 -0.20 -1.06 118.70 121.40 3i7z s GLU 159 Ca 0.27 -0.86 -0.06 0.00 0.36 0.00 0.00 54.97 54.68 3i7z s GLU 159 Cb -0.10 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 3i7z s GLU 159 CO 0.18 -0.30 0.02 -1.17 -0.54 0.00 0.00 175.26 173.46 3i7z s LEU 160 N 1.34 3.52 -0.05 2.70 2.96 -0.60 -1.23 118.68 127.32 3i7z s LEU 160 Ca 0.03 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 3i7z s LEU 160 Cb -0.15 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3i7z s LEU 160 CO -0.07 0.14 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.20 3i7z s GLU 161 N 0.59 1.99 -0.41 1.98 2.12 0.82 -0.07 118.70 125.71 3i7z s GLU 161 Ca 0.01 -0.69 -0.26 0.00 0.36 0.00 0.00 54.97 54.39 3i7z s GLU 161 Cb -0.14 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.56 3i7z s GLU 161 CO 0.02 0.29 0.92 1.21 -0.54 0.00 0.00 175.26 177.16 3i7z s ASN 162 N -0.03 6.59 0.37 -1.70 3.84 0.22 -0.30 114.94 123.93 3i7z s ASN 162 Ca -0.03 0.36 0.17 0.00 0.21 0.00 0.00 52.86 53.57 3i7z s ASN 162 Cb -0.12 -2.46 0.72 0.00 -0.55 0.00 0.00 41.25 38.84 3i7z s ASN 162 CO 0.02 -0.95 1.77 -0.07 -2.79 0.00 0.00 177.10 175.08 3i7z h LEU 163 N 10.31 0.00 -0.11 3.21 3.38 -1.66 1.18 115.31 131.62 3i7z h LEU 163 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3i7z h LEU 163 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3i7z h LEU 163 CO 1.00 0.39 0.06 0.74 0.09 0.00 0.00 178.44 180.72 3i7z h THR 164 N 0.00 1.08 0.00 0.22 2.02 -1.92 -3.27 112.91 111.04 3i7z h THR 164 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3i7z h THR 164 Cb 0.83 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3i7z h THR 164 CO 0.05 0.07 -0.82 0.35 0.37 0.00 0.00 175.52 175.54 3i7z n THR 165 N -4.98 0.00 -2.37 3.16 -2.24 -1.13 -4.99 114.28 101.73 3i7z n THR 165 Ca -0.05 -0.09 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 3i7z n THR 165 Cb 0.06 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 3i7z n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7z n GLN 166 N -1.41 -1.73 -3.33 -0.78 6.02 0.41 -5.00 117.38 111.55 3i7z n GLN 166 Ca 0.03 0.98 -0.30 0.00 -0.01 0.00 0.00 57.00 57.70 3i7z n GLN 166 Cb 0.27 -5.63 -0.04 0.00 1.02 0.00 0.00 30.24 25.86 3i7z n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i7z s GLU 167 N -4.99 3.72 0.06 -1.09 2.12 -1.18 -4.91 118.70 112.43 3i7z s GLU 167 Ca 0.00 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.54 3i7z s GLU 167 Cb 0.00 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 3i7z s GLU 167 CO 0.00 0.24 -0.12 0.95 -0.54 0.00 0.00 175.26 175.80 3i7z s THR 168 N -1.98 0.89 0.16 -1.70 -4.23 -1.26 -0.61 115.64 106.90 3i7z s THR 168 Ca 0.46 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 3i7z s THR 168 Cb -0.11 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 3i7z s THR 168 CO 0.26 -0.27 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.82 3i7z s ARG 169 N -1.64 1.12 -0.08 3.99 0.52 0.90 -4.99 118.95 118.78 3i7z s ARG 169 Ca -0.05 -1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 53.49 3i7z s ARG 169 Cb -0.10 -0.74 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 3i7z s ARG 169 CO 0.01 0.10 0.51 -2.00 0.02 0.00 0.00 175.30 173.95 3i7z s GLU 170 N -3.71 4.30 -0.14 3.54 2.12 -1.26 -1.56 118.70 121.99 3i7z s GLU 170 Ca 0.18 0.53 0.02 0.00 0.36 0.00 0.00 54.97 56.06 3i7z s GLU 170 Cb 0.02 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3i7z s GLU 170 CO 0.02 0.25 -0.19 0.42 -0.54 0.00 0.00 175.26 175.22 3i7z s ILE 171 N 0.28 2.35 0.05 -3.70 -1.09 -0.23 -4.87 121.20 114.00 3i7z s ILE 171 Ca 0.27 -0.88 -0.20 0.00 -2.23 0.00 0.00 60.65 57.61 3i7z s ILE 171 Cb -0.16 -1.96 -0.06 0.00 -1.58 0.00 0.00 42.46 38.70 3i7z s ILE 171 CO 0.13 0.54 0.59 -0.76 -1.23 0.00 0.00 174.94 174.20 3i7z s LEU 172 N 0.74 4.49 -0.16 2.97 1.43 -0.23 -0.74 118.68 127.18 3i7z s LEU 172 Ca -0.08 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 3i7z s LEU 172 Cb -0.16 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.15 3i7z s LEU 172 CO 0.00 0.21 -0.21 -2.28 0.23 0.00 0.00 176.35 174.30 3i7z s HIS 173 N -0.77 2.71 -0.35 0.29 2.46 -0.28 -0.45 115.29 118.90 3i7z s HIS 173 Ca 0.30 -1.49 0.01 0.00 0.47 0.00 0.00 55.06 54.35 3i7z s HIS 173 Cb -0.19 -1.86 0.09 0.00 -0.13 0.00 0.00 32.58 30.49 3i7z s HIS 173 CO 0.19 -0.71 0.08 -0.06 -2.47 0.00 0.00 174.74 171.77 3i7z s PHE 174 N 1.06 3.61 -0.37 3.88 0.08 0.35 -0.48 117.98 126.12 3i7z s PHE 174 Ca -0.01 -2.63 -0.09 0.00 0.12 0.00 0.00 56.93 54.32 3i7z s PHE 174 Cb -0.14 -2.85 0.04 0.00 -0.57 0.00 0.00 43.02 39.50 3i7z s PHE 174 CO -0.08 -0.94 0.17 -1.58 -0.10 0.00 0.00 175.22 172.70 3i7z s HIS 175 N 1.03 3.26 -0.39 0.36 2.46 -0.62 -0.63 115.29 120.77 3i7z s HIS 175 Ca 0.07 -1.24 -0.24 0.00 0.47 0.00 0.00 55.06 54.12 3i7z s HIS 175 Cb -0.20 -2.44 0.01 0.00 -0.13 0.00 0.00 32.58 29.82 3i7z s HIS 175 CO -0.06 -0.71 0.83 -0.47 -2.47 0.00 0.00 174.74 171.86 3i7z s TYR 176 N 1.47 3.06 -0.46 3.88 6.14 0.57 -1.42 117.35 130.60 3i7z s TYR 176 Ca 0.01 0.53 0.23 0.00 0.64 0.00 0.00 57.07 58.47 3i7z s TYR 176 Cb -0.20 -3.56 0.02 0.00 0.42 0.00 0.00 41.96 38.63 3i7z s TYR 176 CO 0.04 -0.83 0.99 0.25 0.64 0.00 0.00 175.55 176.64 3i7z n THR 177 N 5.96 0.27 -1.39 4.34 -2.24 -0.79 -3.91 114.28 116.51 3i7z n THR 177 Ca 0.04 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 3i7z n THR 177 Cb 0.48 0.03 0.21 0.00 -2.10 0.00 0.00 70.33 68.94 3i7z n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7z n THR 178 N -2.18 2.49 -3.61 4.28 -2.24 -1.25 -4.79 114.28 106.98 3i7z n THR 178 Ca 0.01 -2.65 -0.40 0.00 -2.27 0.00 0.00 64.05 58.74 3i7z n THR 178 Cb 0.48 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 3i7z n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i7z s TRP 179 N -3.19 3.48 0.49 4.78 -0.11 -1.26 -4.69 118.94 118.44 3i7z s TRP 179 Ca 0.44 -2.08 -0.23 0.00 1.22 0.00 0.00 56.10 55.45 3i7z s TRP 179 Cb 0.39 -3.43 -0.06 0.00 -1.50 0.00 0.00 33.47 28.87 3i7z s TRP 179 CO 0.01 -0.98 1.24 -2.14 -4.62 0.00 0.00 176.95 170.46 3i7z s PRO 180 N 1.13 3.53 0.15 5.86 0.02 -1.26 -4.71 135.00 139.73 3i7z s PRO 180 Ca 0.08 1.96 -0.33 0.00 0.02 0.00 0.00 61.00 62.73 3i7z s PRO 180 Cb -0.24 -2.36 -0.13 0.00 0.02 0.00 0.00 34.50 31.79 3i7z s PRO 180 CO -0.02 -0.79 1.67 -3.47 -0.33 0.00 0.00 177.00 174.05 3i7z n ASP 181 N -0.67 3.47 -0.82 2.53 -0.08 -1.26 -0.50 116.55 119.22 3i7z n ASP 181 Ca 0.08 1.06 -0.11 0.00 -1.51 0.00 0.00 54.79 54.32 3i7z n ASP 181 Cb 0.47 -1.48 -0.05 0.00 2.34 0.00 0.00 41.12 42.41 3i7z n ASP 181 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3i7z n PHE 182 N 4.02 0.00 -4.56 -0.67 3.01 -1.26 -4.98 117.46 113.02 3i7z n PHE 182 Ca 0.17 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.33 3i7z n PHE 182 Cb 0.31 -2.11 -0.05 0.00 -0.01 0.00 0.00 39.48 37.62 3i7z n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7z n GLY 183 N -1.38 3.44 3.62 1.37 0.00 0.35 -4.96 105.19 107.63 3i7z n GLY 183 Ca -0.11 -2.35 -0.24 0.00 0.00 0.00 0.00 46.02 43.32 3i7z n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i7z s VAL 184 N -2.71 2.83 1.00 1.61 -7.23 -1.26 -4.76 120.40 109.87 3i7z s VAL 184 Ca 0.05 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 3i7z s VAL 184 Cb -0.00 -2.75 0.19 0.00 0.56 0.00 0.00 36.38 34.38 3i7z s VAL 184 CO 0.03 -0.27 1.09 -2.84 -0.31 0.00 0.00 175.10 172.81 3i7z s PRO 185 N -3.68 0.39 0.21 4.82 0.02 -1.26 -4.53 135.00 130.97 3i7z s PRO 185 Ca 0.33 1.14 -0.09 0.00 0.02 0.00 0.00 61.00 62.40 3i7z s PRO 185 Cb -0.02 -1.68 0.16 0.00 0.02 0.00 0.00 34.50 32.97 3i7z s PRO 185 CO 0.19 -2.93 1.82 0.93 -0.33 0.00 0.00 177.00 176.68 3i7z h GLU 186 N -2.06 1.09 -3.62 5.54 3.07 -1.99 -3.45 114.58 113.16 3i7z h GLU 186 Ca -0.51 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.13 3i7z h GLU 186 Cb 1.29 -0.21 -0.15 0.00 -0.84 0.00 0.00 28.75 28.85 3i7z h GLU 186 CO 0.48 0.81 -0.30 -1.54 -1.40 0.00 0.00 179.01 177.05 3i7z s SER 187 N -6.11 0.01 0.33 1.42 1.04 -1.26 -5.01 113.70 104.11 3i7z s SER 187 Ca -0.13 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 55.89 3i7z s SER 187 Cb 0.15 0.36 0.74 0.00 0.10 0.00 0.00 66.02 67.37 3i7z s SER 187 CO 0.81 -0.71 1.85 -0.65 0.98 0.00 0.00 173.24 175.52 3i7z h PRO 188 N 2.86 0.76 0.19 4.02 0.11 -1.94 -2.46 132.00 135.54 3i7z h PRO 188 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i7z h PRO 188 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3i7z h PRO 188 CO 0.52 0.51 -0.20 0.00 -0.21 0.00 0.00 178.00 178.62 3i7z h ALA 189 N 1.58 -0.39 -0.54 -0.75 0.00 -1.94 0.11 119.26 117.33 3i7z h ALA 189 Ca 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.35 3i7z h ALA 189 Cb 0.67 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3i7z h ALA 189 CO -0.24 -0.75 0.34 0.66 0.00 0.00 0.00 179.25 179.26 3i7z h SER 190 N -0.42 0.55 0.04 0.00 4.64 -1.75 -1.04 113.55 115.58 3i7z h SER 190 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i7z h SER 190 Cb 0.40 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3i7z h SER 190 CO -0.05 0.39 -0.02 0.15 -0.87 0.00 0.00 176.83 176.43 3i7z h PHE 191 N 0.67 -0.05 -0.49 4.77 3.57 -1.15 -2.07 116.94 122.19 3i7z h PHE 191 Ca 0.21 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3i7z h PHE 191 Cb -0.00 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3i7z h PHE 191 CO -0.06 0.05 0.14 -0.07 -2.23 0.00 0.00 178.31 176.15 3i7z h LEU 192 N -0.15 0.72 -0.76 0.59 3.38 -0.67 0.13 115.31 118.56 3i7z h LEU 192 Ca -0.01 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.84 3i7z h LEU 192 Cb 0.13 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3i7z h LEU 192 CO 0.01 0.74 0.42 -1.13 0.09 0.00 0.00 178.44 178.57 3i7z h ASN 193 N 0.66 0.59 -0.45 -0.43 -1.24 -1.15 0.32 115.58 113.88 3i7z h ASN 193 Ca 0.16 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 3i7z h ASN 193 Cb 0.29 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3i7z h ASN 193 CO -0.00 0.35 0.05 0.15 -1.29 0.00 0.00 177.43 176.68 3i7z h PHE 194 N 0.72 0.83 -0.78 0.67 3.57 -0.63 -2.20 116.94 119.10 3i7z h PHE 194 Ca 0.36 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3i7z h PHE 194 Cb 0.32 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 3i7z h PHE 194 CO -0.08 0.79 0.42 1.25 -2.23 0.00 0.00 178.31 178.45 3i7z h LEU 195 N 0.63 0.99 -0.83 0.59 5.85 -0.04 -2.49 115.31 120.00 3i7z h LEU 195 Ca 0.13 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3i7z h LEU 195 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3i7z h LEU 195 CO 0.01 0.81 -0.47 -0.26 -0.34 0.00 0.00 178.44 178.20 3i7z h PHE 196 N 1.09 0.00 -0.82 1.25 -1.00 -0.91 -0.92 116.94 115.64 3i7z h PHE 196 Ca 0.27 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 3i7z h PHE 196 Cb 0.06 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 3i7z h PHE 196 CO 0.00 0.47 0.43 0.87 -1.61 0.00 0.00 178.31 178.48 3i7z h LYS 197 N 0.00 1.15 -0.05 1.51 1.79 -1.00 -0.85 116.57 119.13 3i7z h LYS 197 Ca -0.00 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 3i7z h LYS 197 Cb 0.99 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3i7z h LYS 197 CO 0.06 0.86 0.01 0.28 -1.08 0.00 0.00 179.45 179.58 3i7z h VAL 198 N 1.14 1.21 -0.16 0.50 2.07 -0.91 -2.62 116.25 117.48 3i7z h VAL 198 Ca 0.29 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3i7z h VAL 198 Cb 0.06 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3i7z h VAL 198 CO -0.04 0.17 -0.06 0.03 0.02 0.00 0.00 177.57 177.69 3i7z h ARG 199 N -0.17 -0.03 0.00 1.57 3.08 -1.15 -2.70 114.38 114.98 3i7z h ARG 199 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i7z h ARG 199 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3i7z h ARG 199 CO 0.00 -0.02 0.00 0.93 -1.07 0.00 0.00 179.97 179.81 3i7z h GLU 200 N -0.04 0.00 0.00 0.04 5.08 -1.00 -1.32 114.58 117.35 3i7z h GLU 200 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3i7z h GLU 200 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i7z h GLU 200 CO -0.19 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.69 3i7z n SER 201 N -3.07 0.43 0.00 1.42 3.41 -1.00 -4.91 113.62 109.90 3i7z n SER 201 Ca -0.03 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3i7z n SER 201 Cb 0.08 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3i7z n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7z n GLY 202 N 1.09 2.09 0.28 5.00 0.00 -0.50 -4.89 105.19 108.26 3i7z n GLY 202 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3i7z n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i7z h SER 203 N 0.00 0.00 -0.02 1.61 0.02 -1.77 0.45 113.55 113.84 3i7z h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i7z h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3i7z h SER 203 CO 0.00 0.00 -0.11 0.18 -1.14 0.00 0.00 176.83 175.76 3i7z n LEU 204 N -2.65 2.56 -4.73 5.07 4.77 -1.26 -4.39 117.00 116.37 3i7z n LEU 204 Ca -0.02 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 3i7z n LEU 204 Cb 0.27 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3i7z n LEU 204 CO 0.12 0.44 1.02 -0.24 -1.33 0.00 0.00 177.39 177.40 3i7z n SER 205 N 0.86 3.25 0.32 -1.43 2.88 0.16 -4.84 113.62 114.81 3i7z n SER 205 Ca 0.13 1.21 0.19 0.00 -1.33 0.00 0.00 58.87 59.07 3i7z n SER 205 Cb 0.54 -1.54 0.98 0.00 -0.75 0.00 0.00 64.21 63.43 3i7z n SER 205 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i7z h PRO 206 N 2.89 0.00 -0.01 -1.46 0.11 -1.92 -1.34 132.00 130.27 3i7z h PRO 206 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i7z h PRO 206 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i7z h PRO 206 CO 0.64 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 3i7z n GLU 207 N -3.09 1.20 -4.20 1.05 0.28 -1.26 -4.80 120.64 109.82 3i7z n GLU 207 Ca -0.02 -0.29 -0.24 0.00 -0.16 0.00 0.00 57.16 56.45 3i7z n GLU 207 Cb 0.25 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.56 3i7z n GLU 207 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3i7z s HIS 208 N -2.00 2.63 1.33 -1.84 3.76 -0.50 -5.13 115.29 113.54 3i7z s HIS 208 Ca 0.45 -0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 54.74 3i7z s HIS 208 Cb 0.22 -1.63 0.34 0.00 1.11 0.00 0.00 32.58 32.62 3i7z s HIS 208 CO 0.36 0.37 0.95 0.41 -0.85 0.00 0.00 174.74 175.97 3i7z n GLY 209 N -1.08 -2.97 3.77 -2.22 0.00 0.47 -4.91 105.19 98.24 3i7z n GLY 209 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3i7z n GLY 209 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7z s PRO 210 N -4.69 4.31 0.33 1.61 0.02 -1.26 -4.49 135.00 130.83 3i7z s PRO 210 Ca 0.68 2.27 -0.29 0.00 0.02 0.00 0.00 61.00 63.68 3i7z s PRO 210 Cb -0.20 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.14 3i7z s PRO 210 CO 0.62 -0.27 1.53 0.54 -0.33 0.00 0.00 177.00 179.08 3i7z s VAL 211 N -0.90 2.10 -0.15 3.83 0.11 -1.25 -4.52 120.40 119.62 3i7z s VAL 211 Ca 0.51 0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 59.43 3i7z s VAL 211 Cb -0.41 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.36 3i7z s VAL 211 CO 0.52 0.02 0.72 -0.69 -3.33 0.00 0.00 175.10 172.34 3i7z s VAL 212 N -0.60 4.98 -0.09 2.04 1.01 -0.91 -1.07 120.40 125.77 3i7z s VAL 212 Ca 0.57 1.41 0.04 0.00 0.00 0.00 0.00 61.98 64.00 3i7z s VAL 212 Cb -0.47 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 3i7z s VAL 212 CO 0.56 0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.85 3i7z s VAL 213 N 1.71 1.98 0.12 2.92 1.01 0.13 -0.49 120.40 127.78 3i7z s VAL 213 Ca 0.34 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3i7z s VAL 213 Cb -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3i7z s VAL 213 CO 0.13 0.55 0.26 -1.38 0.00 0.00 0.00 175.10 174.65 3i7z s HIS 214 N 0.22 0.14 0.00 5.22 -3.43 -0.49 -1.50 115.29 115.45 3i7z s HIS 214 Ca -0.14 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 3i7z s HIS 214 Cb -0.17 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 3i7z s HIS 214 CO 0.07 -0.62 0.00 0.00 -2.00 0.00 0.00 174.74 172.19 3i7z h SER 216 N 0.00 -0.01 0.32 0.00 0.87 -1.90 -2.60 113.55 110.22 3i7z h SER 216 Ca 0.00 -0.84 -0.07 0.00 -1.23 0.00 0.00 61.79 59.65 3i7z h SER 216 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3i7z h SER 216 CO 0.00 0.85 -1.75 0.00 -0.53 0.00 0.00 176.83 175.41 3i7z n ALA 217 N -2.55 2.47 -1.43 6.23 0.00 -1.26 -0.43 120.51 123.53 3i7z n ALA 217 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3i7z n ALA 217 Cb 0.41 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3i7z n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7z n GLY 218 N 1.32 0.40 0.57 0.00 0.00 -1.23 -4.09 105.19 102.15 3i7z n GLY 218 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3i7z n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i7z n ILE 219 N -3.43 0.00 0.00 -0.61 -5.35 -1.26 -4.49 119.36 104.22 3i7z n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i7z n ILE 219 Cb 0.23 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 3i7z n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i7z n GLY 220 N 2.75 -1.14 0.21 3.28 0.00 -1.26 -0.86 105.19 108.17 3i7z n GLY 220 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i7z n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i7z h ARG 221 N 0.00 0.65 -0.63 1.61 3.08 -1.94 -1.74 114.38 115.41 3i7z h ARG 221 Ca 0.00 -0.51 0.03 0.00 0.07 0.00 0.00 59.98 59.57 3i7z h ARG 221 Cb 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3i7z h ARG 221 CO 0.00 1.13 0.38 0.77 -1.07 0.00 0.00 179.97 181.18 3i7z h SER 222 N 0.46 0.61 -0.51 7.04 0.02 -1.86 0.43 113.55 119.74 3i7z h SER 222 Ca -0.03 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3i7z h SER 222 Cb 1.33 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3i7z h SER 222 CO 0.14 0.42 0.16 1.23 -1.14 0.00 0.00 176.83 177.64 3i7z h GLY 223 N 0.74 0.85 0.99 -3.77 0.00 -0.89 -2.04 103.07 98.95 3i7z h GLY 223 Ca 0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3i7z h GLY 223 CO -0.12 0.47 0.32 -0.84 0.00 0.00 0.00 176.54 176.38 3i7z h THR 224 N 0.69 1.18 0.03 4.70 2.02 -0.89 -0.92 112.91 119.72 3i7z h THR 224 Ca 0.16 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3i7z h THR 224 Cb 0.27 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3i7z h THR 224 CO -0.01 0.19 -0.07 0.15 0.37 0.00 0.00 175.52 176.16 3i7z h PHE 225 N 0.76 -0.18 -0.43 3.16 3.57 -0.69 -2.91 116.94 120.23 3i7z h PHE 225 Ca 0.20 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3i7z h PHE 225 Cb 0.02 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3i7z h PHE 225 CO -0.02 -0.11 -0.24 0.00 -2.23 0.00 0.00 178.31 175.71 3i7z h LEU 227 N 0.77 -1.07 -0.55 0.00 5.85 -1.17 -0.79 115.31 118.35 3i7z h LEU 227 Ca 0.10 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3i7z h LEU 227 Cb 0.80 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 3i7z h LEU 227 CO 0.07 -0.63 0.03 0.00 -0.34 0.00 0.00 178.44 177.57 3i7z h ALA 228 N -0.73 0.56 -0.08 1.25 0.00 -1.51 0.12 119.26 118.86 3i7z h ALA 228 Ca -0.07 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3i7z h ALA 228 Cb 0.81 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3i7z h ALA 228 CO 0.05 -0.37 -0.01 0.22 0.00 0.00 0.00 179.25 179.14 3i7z h ASP 229 N 0.14 -0.04 -0.63 0.00 3.58 -1.26 -2.04 116.42 116.17 3i7z h ASP 229 Ca 0.28 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 3i7z h ASP 229 Cb 0.44 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 3i7z h ASP 229 CO -0.44 -0.01 0.22 0.74 -2.88 0.00 0.00 179.24 176.87 3i7z h THR 230 N 0.02 1.24 -0.74 2.25 2.02 -0.27 -0.44 112.91 116.99 3i7z h THR 230 Ca 0.04 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3i7z h THR 230 Cb 0.05 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3i7z h THR 230 CO -0.07 0.31 0.43 0.00 0.37 0.00 0.00 175.52 176.56 3i7z h LEU 232 N 1.01 0.85 -0.71 0.00 3.38 -1.07 -1.82 115.31 116.95 3i7z h LEU 232 Ca 0.26 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3i7z h LEU 232 Cb -0.02 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 3i7z h LEU 232 CO -0.05 0.84 0.35 0.25 0.09 0.00 0.00 178.44 179.92 3i7z h LEU 233 N 0.82 0.44 -0.55 1.67 5.85 -0.62 -2.81 115.31 120.10 3i7z h LEU 233 Ca 0.19 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3i7z h LEU 233 Cb 0.30 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3i7z h LEU 233 CO -0.00 0.24 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.69 3i7z h LEU 234 N 0.58 0.51 -1.43 2.25 3.38 -0.87 -2.76 115.31 116.98 3i7z h LEU 234 Ca 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i7z h LEU 234 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i7z h LEU 234 CO -0.28 0.98 0.00 0.24 0.09 0.00 0.00 178.44 179.46 3i7z h MET 235 N 0.35 0.00 0.00 1.13 2.86 -1.09 -1.53 114.93 116.64 3i7z h MET 235 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3i7z h MET 235 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3i7z h MET 235 CO 0.10 0.00 -0.29 0.22 1.06 0.00 0.00 176.91 178.00 3i7z h ASP 236 N 0.00 0.00 0.56 1.22 3.58 -1.29 -3.39 116.42 117.10 3i7z h ASP 236 Ca 0.00 -0.77 -0.03 0.00 0.42 0.00 0.00 57.03 56.66 3i7z h ASP 236 Cb 0.38 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.44 3i7z h ASP 236 CO 0.00 1.05 -0.27 0.11 -2.88 0.00 0.00 179.24 177.25 3i7z h LYS 237 N -1.00 -0.73 -6.65 0.28 1.57 -1.28 -3.45 116.57 105.32 3i7z h LYS 237 Ca -0.08 0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 58.18 3i7z h LYS 237 Cb 0.96 0.17 0.08 0.00 0.08 0.00 0.00 32.23 33.52 3i7z h LYS 237 CO -0.05 -0.43 0.68 0.54 -0.57 0.00 0.00 179.45 179.62 3i7z n ARG 238 N -5.36 2.22 0.32 3.15 1.74 -0.59 -4.84 116.66 113.30 3i7z n ARG 238 Ca -0.12 0.79 0.20 0.00 -0.77 0.00 0.00 57.85 57.95 3i7z n ARG 238 Cb 0.33 -2.48 1.09 0.00 -1.02 0.00 0.00 32.46 30.38 3i7z n ARG 238 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i7z h LYS 239 N 4.31 0.00 -4.15 5.56 1.63 -1.91 -3.31 116.57 118.70 3i7z h LYS 239 Ca -0.46 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 58.70 3i7z h LYS 239 Cb 1.26 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.49 3i7z h LYS 239 CO 0.76 0.01 -0.69 0.34 -3.45 0.00 0.00 179.45 176.42 3i7z s ASP 240 N -5.46 4.54 0.38 4.20 2.15 -1.26 -4.98 116.67 116.24 3i7z s ASP 240 Ca -0.04 -2.41 0.05 0.00 0.43 0.00 0.00 52.55 50.57 3i7z s ASP 240 Cb 0.13 -1.57 0.75 0.00 -0.30 0.00 0.00 42.92 41.93 3i7z s ASP 240 CO 0.46 -0.33 2.03 1.55 -0.17 0.00 0.00 175.17 178.71 3i7z h PRO 241 N 7.26 0.67 0.00 4.34 0.13 -1.76 -2.99 132.00 139.65 3i7z h PRO 241 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3i7z h PRO 241 Cb 0.98 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3i7z h PRO 241 CO 0.57 0.45 0.00 0.66 -0.23 0.00 0.00 178.00 179.45 3i7z h SER 242 N 0.68 0.00 -0.41 1.44 4.64 -1.93 -3.19 113.55 114.78 3i7z h SER 242 Ca 0.18 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3i7z h SER 242 Cb -0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3i7z h SER 242 CO -0.04 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 176.65 3i7z h SER 243 N 0.00 0.81 -0.60 4.97 4.64 -1.96 -3.33 113.55 118.08 3i7z h SER 243 Ca 0.00 -0.22 -0.78 0.00 -0.47 0.00 0.00 61.79 60.32 3i7z h SER 243 Cb 0.53 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i7z h SER 243 CO 0.00 0.90 0.85 0.52 -0.87 0.00 0.00 176.83 178.23 3i7z n VAL 244 N -4.19 0.00 -3.52 0.95 0.31 -1.21 -4.91 118.33 105.76 3i7z n VAL 244 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.94 3i7z n VAL 244 Cb 0.33 -0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.69 3i7z n VAL 244 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i7z s ASP 245 N 3.79 6.01 0.30 4.52 -1.08 -1.26 -4.77 116.67 124.17 3i7z s ASP 245 Ca 1.03 -0.61 0.01 0.00 -0.52 0.00 0.00 52.55 52.46 3i7z s ASP 245 Cb -1.40 -2.12 0.48 0.00 -1.46 0.00 0.00 42.92 38.42 3i7z s ASP 245 CO 0.71 -0.31 1.83 0.40 0.52 0.00 0.00 175.17 178.33 3i7z h ILE 246 N 5.57 1.22 -0.45 4.11 2.04 -1.99 -2.15 117.51 125.86 3i7z h ILE 246 Ca -0.30 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 3i7z h ILE 246 Cb 1.14 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3i7z h ILE 246 CO 0.66 0.30 -0.08 0.11 0.00 0.00 0.00 178.15 179.14 3i7z h LYS 247 N 0.64 0.80 -0.44 2.37 1.57 -2.00 -1.57 116.57 117.94 3i7z h LYS 247 Ca 0.14 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3i7z h LYS 247 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3i7z h LYS 247 CO 0.01 0.85 -0.14 0.87 -0.57 0.00 0.00 179.45 180.47 3i7z h LYS 248 N 0.73 0.88 -0.51 3.15 1.57 -1.89 -2.29 116.57 118.20 3i7z h LYS 248 Ca 0.13 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3i7z h LYS 248 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3i7z h LYS 248 CO 0.03 1.00 0.24 0.28 -0.57 0.00 0.00 179.45 180.44 3i7z h VAL 249 N 0.71 1.20 -0.70 0.50 2.07 -1.18 -0.84 116.25 118.01 3i7z h VAL 249 Ca 0.11 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3i7z h VAL 249 Cb 0.70 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3i7z h VAL 249 CO 0.05 0.22 0.47 0.25 0.02 0.00 0.00 177.57 178.58 3i7z h LEU 250 N 0.68 0.80 -0.12 2.57 5.85 -1.10 -0.57 115.31 123.42 3i7z h LEU 250 Ca 0.18 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3i7z h LEU 250 Cb 0.13 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3i7z h LEU 250 CO -0.02 0.57 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.17 3i7z h LEU 251 N 0.94 0.56 -0.51 2.25 3.38 -1.12 -1.40 115.31 119.42 3i7z h LEU 251 Ca 0.26 -0.62 0.10 0.00 0.09 0.00 0.00 57.88 57.71 3i7z h LEU 251 Cb -0.09 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.39 3i7z h LEU 251 CO -0.06 1.08 -0.28 -0.08 0.09 0.00 0.00 178.44 179.19 3i7z h GLU 252 N 0.08 -0.16 -0.57 1.13 4.57 -0.71 -2.23 114.58 116.69 3i7z h GLU 252 Ca -0.02 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i7z h GLU 252 Cb 1.04 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.64 3i7z h GLU 252 CO 0.09 -0.10 0.34 0.52 -1.18 0.00 0.00 179.01 178.67 3i7z h MET 253 N -0.16 0.76 0.00 1.92 2.86 -0.89 -1.21 114.93 118.21 3i7z h MET 253 Ca 0.22 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3i7z h MET 253 Cb 0.52 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3i7z h MET 253 CO -0.60 0.54 0.00 0.54 1.06 0.00 0.00 176.91 178.45 3i7z n ARG 254 N -4.42 0.35 0.21 1.72 1.74 -0.55 -0.96 116.66 114.75 3i7z n ARG 254 Ca 0.05 0.08 0.14 0.00 -0.77 0.00 0.00 57.85 57.36 3i7z n ARG 254 Cb 0.07 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.50 3i7z n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i7z h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -0.95 -3.33 116.57 119.42 3i7z h LYS 255 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3i7z h LYS 255 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3i7z h LYS 255 CO 0.00 0.00 -1.65 1.19 -0.57 0.00 0.00 179.45 178.42 3i7z n PHE 256 N -2.80 0.00 -3.65 -1.35 3.72 -0.14 -4.98 117.46 108.26 3i7z n PHE 256 Ca 0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.30 3i7z n PHE 256 Cb 0.36 -0.36 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3i7z n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i7z s ARG 257 N -2.83 0.76 0.72 -1.08 3.52 -1.17 -4.58 118.95 114.28 3i7z s ARG 257 Ca -0.05 0.99 -0.14 0.00 -0.13 0.00 0.00 55.73 56.40 3i7z s ARG 257 Cb 0.08 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 3i7z s ARG 257 CO 0.55 -0.11 1.13 0.00 -0.81 0.00 0.00 175.30 176.07 3i7z s MET 258 N 0.66 2.39 0.00 5.12 0.23 -1.26 -4.24 119.30 122.20 3i7z s MET 258 Ca -0.02 1.46 0.00 0.00 -1.03 0.00 0.00 55.69 56.09 3i7z s MET 258 Cb -0.05 -1.89 0.00 0.00 -1.53 0.00 0.00 34.83 31.36 3i7z s MET 258 CO -0.04 -1.58 0.00 0.41 -2.03 0.00 0.00 175.02 171.78 3i7z n GLY 259 N -0.35 0.40 3.68 3.16 0.00 -1.26 -4.86 105.19 105.95 3i7z n GLY 259 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.59 3i7z n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7z n LEU 260 N 0.00 2.51 -1.55 0.99 4.77 -1.26 -3.84 117.00 118.62 3i7z n LEU 260 Ca 0.00 1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 57.04 3i7z n LEU 260 Cb 0.12 -1.22 -0.00 0.00 -2.33 0.00 0.00 43.42 39.98 3i7z n LEU 260 CO 0.00 -0.47 -0.18 -0.38 -1.33 0.00 0.00 177.39 175.03 3i7z n ILE 261 N 4.19 -5.98 1.07 -0.08 5.41 -0.27 -4.94 119.36 118.76 3i7z n ILE 261 Ca 0.23 1.04 0.12 0.00 1.00 0.00 0.00 62.75 65.14 3i7z n ILE 261 Cb 0.19 -4.16 0.10 0.00 -0.71 0.00 0.00 39.64 35.06 3i7z n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7z n GLN 262 N 0.61 1.18 -3.97 0.38 1.13 -1.25 -4.91 117.38 110.54 3i7z n GLN 262 Ca -0.03 -0.92 -0.09 0.00 -1.94 0.00 0.00 57.00 54.02 3i7z n GLN 262 Cb 0.05 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 28.84 3i7z n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3i7z s THR 263 N -2.46 0.10 0.17 5.09 -4.23 -1.26 -5.03 115.64 108.03 3i7z s THR 263 Ca 0.21 -1.45 0.10 0.00 -1.18 0.00 0.00 61.69 59.36 3i7z s THR 263 Cb 0.18 -1.72 -0.09 0.00 1.34 0.00 0.00 72.50 72.21 3i7z s THR 263 CO 0.55 -0.47 1.46 0.00 -0.54 0.00 0.00 174.62 175.62 3i7z h ALA 264 N 2.70 0.68 -0.27 3.99 0.00 -1.94 -2.98 119.26 121.44 3i7z h ALA 264 Ca -0.33 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 53.76 3i7z h ALA 264 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i7z h ALA 264 CO 0.53 0.96 -0.32 0.22 0.00 0.00 0.00 179.25 180.64 3i7z h ASP 265 N 0.00 0.59 -0.96 0.00 3.58 -1.96 -1.25 116.42 116.42 3i7z h ASP 265 Ca -0.01 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.23 3i7z h ASP 265 Cb 1.40 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 3i7z h ASP 265 CO 0.10 0.88 0.63 1.56 -2.88 0.00 0.00 179.24 179.53 3i7z h GLN 266 N 0.49 1.21 -0.04 0.28 4.20 -1.85 0.18 115.11 119.58 3i7z h GLN 266 Ca 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3i7z h GLN 266 Cb 0.80 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3i7z h GLN 266 CO 0.07 0.80 0.00 1.25 -0.67 0.00 0.00 178.83 180.28 3i7z h LEU 267 N 1.25 0.07 -0.42 1.46 5.85 -1.34 -1.27 115.31 120.91 3i7z h LEU 267 Ca 0.37 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3i7z h LEU 267 Cb -0.05 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3i7z h LEU 267 CO -0.10 0.35 0.06 -0.09 -0.34 0.00 0.00 178.44 178.32 3i7z h ARG 268 N -0.21 0.18 -0.77 1.25 2.43 -1.06 -2.08 114.38 114.12 3i7z h ARG 268 Ca 0.01 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3i7z h ARG 268 Cb 0.31 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 3i7z h ARG 268 CO 0.00 0.12 0.40 0.35 -1.51 0.00 0.00 179.97 179.33 3i7z h PHE 269 N 0.18 0.71 -0.99 2.20 3.57 -0.44 -2.02 116.94 120.16 3i7z h PHE 269 Ca 0.21 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.80 3i7z h PHE 269 Cb 0.27 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 3i7z h PHE 269 CO -0.22 0.24 0.64 0.77 -2.23 0.00 0.00 178.31 177.50 3i7z h SER 270 N 0.64 1.01 -0.15 0.41 0.02 -0.52 -0.34 113.55 114.63 3i7z h SER 270 Ca 0.39 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3i7z h SER 270 Cb 0.45 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3i7z h SER 270 CO -0.29 0.64 0.07 1.88 -1.14 0.00 0.00 176.83 178.00 3i7z h TYR 271 N 1.15 0.21 -0.56 3.45 -1.99 -1.13 -1.16 116.97 116.94 3i7z h TYR 271 Ca 0.43 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.25 3i7z h TYR 271 Cb 0.18 -0.07 -0.08 0.00 2.00 0.00 0.00 36.73 38.76 3i7z h TYR 271 CO -0.00 0.24 0.08 -0.07 -0.00 0.00 0.00 178.16 178.41 3i7z h LEU 272 N 0.12 -0.08 -0.45 3.88 3.38 -0.75 -0.92 115.31 120.49 3i7z h LEU 272 Ca 0.05 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3i7z h LEU 272 Cb 0.11 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3i7z h LEU 272 CO -0.01 -0.02 -0.70 0.00 0.09 0.00 0.00 178.44 177.80 3i7z h ALA 273 N 1.46 0.65 -0.13 1.53 0.00 -0.83 -1.06 119.26 120.89 3i7z h ALA 273 Ca 0.29 -0.60 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3i7z h ALA 273 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i7z h ALA 273 CO -0.41 0.76 -0.73 0.28 0.00 0.00 0.00 179.25 179.16 3i7z h VAL 274 N 0.25 1.30 0.30 0.00 2.07 -0.92 -1.76 116.25 117.49 3i7z h VAL 274 Ca -0.02 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 3i7z h VAL 274 Cb 1.26 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3i7z h VAL 274 CO 0.12 0.61 -0.14 0.40 0.02 0.00 0.00 177.57 178.58 3i7z h ILE 275 N 0.42 0.72 -0.67 4.57 2.04 -1.12 -0.55 117.51 122.91 3i7z h ILE 275 Ca -0.05 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3i7z h ILE 275 Cb 1.36 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3i7z h ILE 275 CO 0.15 0.02 0.39 -0.08 0.00 0.00 0.00 178.15 178.64 3i7z h GLU 276 N -0.46 0.91 0.00 2.37 4.57 -1.26 -2.65 114.58 118.08 3i7z h GLU 276 Ca -0.04 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3i7z h GLU 276 Cb 0.35 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3i7z h GLU 276 CO 0.07 0.66 0.00 0.78 -1.18 0.00 0.00 179.01 179.34 3i7z h GLY 277 N 0.91 0.00 1.19 1.92 0.00 -1.12 -2.54 103.07 103.43 3i7z h GLY 277 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3i7z h GLY 277 CO -0.04 0.00 0.51 0.00 0.00 0.00 0.00 176.54 177.00 3i7z h ALA 278 N 2.10 1.37 -0.92 3.60 0.00 -0.71 -2.64 119.26 122.06 3i7z h ALA 278 Ca 0.00 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.09 3i7z h ALA 278 Cb 0.51 -0.33 -0.14 0.00 0.00 0.00 0.00 17.79 17.83 3i7z h ALA 278 CO 0.00 0.56 0.36 0.87 0.00 0.00 0.00 179.25 181.04 3i7z h LYS 279 N 1.11 0.27 -0.12 0.00 1.57 -1.55 0.33 116.57 118.19 3i7z h LYS 279 Ca 0.29 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 3i7z h LYS 279 Cb -0.08 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3i7z h LYS 279 CO -0.06 0.18 -0.51 0.35 -0.57 0.00 0.00 179.45 178.85 3i7z h PHE 280 N 0.28 0.74 -0.55 -1.35 3.04 -1.66 -2.09 116.94 115.36 3i7z h PHE 280 Ca 0.61 -0.32 0.04 0.00 3.98 0.00 0.00 57.97 62.28 3i7z h PHE 280 Cb 1.26 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.62 3i7z h PHE 280 CO -0.17 1.10 0.37 0.82 -2.02 0.00 0.00 178.31 178.40 3i7z h ILE 281 N 0.18 1.03 -0.66 1.41 1.08 -0.64 -2.57 117.51 117.34 3i7z h ILE 281 Ca -0.03 -0.20 -0.21 0.00 -0.39 0.00 0.00 64.86 64.03 3i7z h ILE 281 Cb 1.14 0.40 -0.13 0.00 -3.07 0.00 0.00 36.82 35.16 3i7z h ILE 281 CO 0.11 0.11 0.27 0.23 -0.69 0.00 0.00 178.15 178.17 3i7z n MET 282 N -4.47 3.28 0.00 2.37 2.81 0.92 -4.92 117.12 117.11 3i7z n MET 282 Ca 0.07 -2.65 0.00 0.00 -1.81 0.00 0.00 57.70 53.31 3i7z n MET 282 Cb 0.18 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 3i7z n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i7z n GLY 283 N -0.15 2.46 3.57 3.03 0.00 -0.97 -5.02 105.19 108.12 3i7z n GLY 283 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 3i7z n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7z s ASP 284 N -1.50 5.56 0.08 1.61 -1.08 -0.79 -4.80 116.67 115.74 3i7z s ASP 284 Ca 0.00 0.70 -0.10 0.00 -0.52 0.00 0.00 52.55 52.63 3i7z s ASP 284 Cb 0.00 -2.53 -0.22 0.00 -1.46 0.00 0.00 42.92 38.71 3i7z s ASP 284 CO 0.00 -2.08 1.18 -1.28 0.52 0.00 0.00 175.17 173.51 3i7z h SER 285 N 13.94 0.71 0.49 -0.34 0.87 -1.88 -3.28 113.55 124.05 3i7z h SER 285 Ca -0.29 -0.64 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 3i7z h SER 285 Cb 1.16 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3i7z h SER 285 CO 1.15 1.45 -0.15 0.77 -0.53 0.00 0.00 176.83 179.52 3i7z h SER 286 N 0.24 0.00 -0.22 6.23 4.64 -1.98 -3.25 113.55 119.21 3i7z h SER 286 Ca -0.14 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3i7z h SER 286 Cb 1.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 3i7z h SER 286 CO 0.21 0.15 0.15 1.62 -0.87 0.00 0.00 176.83 178.09 3i7z h VAL 287 N 0.00 0.96 -0.24 0.95 3.04 -1.95 -2.12 116.25 116.89 3i7z h VAL 287 Ca -0.00 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 65.56 3i7z h VAL 287 Cb 0.43 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.51 3i7z h VAL 287 CO 0.02 0.02 -0.20 -0.61 -1.01 0.00 0.00 177.57 175.79 3i7z h GLN 288 N 0.13 0.43 0.00 4.17 4.15 -1.80 -2.15 115.11 120.03 3i7z h GLN 288 Ca 0.10 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 3i7z h GLN 288 Cb 0.23 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3i7z h GLN 288 CO -0.01 0.61 -0.32 -0.44 -1.93 0.00 0.00 178.83 176.74 3i7z h ASP 289 N 0.39 0.00 1.20 -0.69 3.32 -1.62 -2.87 116.42 116.15 3i7z h ASP 289 Ca 0.07 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3i7z h ASP 289 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3i7z h ASP 289 CO 0.04 0.32 -0.25 1.56 -1.72 0.00 0.00 179.24 179.19 3i7z h GLN 290 N 0.00 0.00 0.00 3.56 4.20 -1.33 -2.37 115.11 119.17 3i7z h GLN 290 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3i7z h GLN 290 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3i7z h GLN 290 CO 0.04 0.25 -0.41 -1.49 -0.67 0.00 0.00 178.83 176.55 3i7z h TRP 291 N 0.00 0.00 0.01 2.96 6.55 -1.27 -2.22 115.95 121.98 3i7z h TRP 291 Ca -0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 3i7z h TRP 291 Cb 0.91 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.23 3i7z h TRP 291 CO 0.00 0.35 -0.72 -0.22 -1.05 0.00 0.00 178.44 176.80 3i7z h LYS 292 N 0.00 0.47 -0.03 0.49 3.64 -1.39 -0.67 116.57 119.07 3i7z h LYS 292 Ca -0.01 -0.52 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 3i7z h LYS 292 Cb 1.27 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 3i7z h LYS 292 CO 0.04 1.16 -0.50 0.93 -2.27 0.00 0.00 179.45 178.82 3i7z h GLU 293 N -0.01 0.09 0.00 1.90 4.39 -1.51 -3.08 114.58 116.35 3i7z h GLU 293 Ca -0.09 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 3i7z h GLU 293 Cb 1.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 3i7z h GLU 293 CO 0.14 0.57 -0.94 -0.07 -1.16 0.00 0.00 179.01 177.55 3i7z h LEU 294 N 0.07 0.00 0.00 1.33 3.38 -1.41 -3.30 115.31 115.38 3i7z h LEU 294 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i7z h LEU 294 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3i7z h LEU 294 CO 0.07 0.50 -0.23 0.77 0.09 0.00 0.00 178.44 179.64 3i7z h SER 295 N 0.00 0.00 -5.58 -0.43 4.64 -1.11 -3.44 113.55 107.63 3i7z h SER 295 Ca -0.08 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.93 3i7z h SER 295 Cb 1.45 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.72 3i7z h SER 295 CO 0.05 0.01 -0.81 1.41 -0.87 0.00 0.00 176.83 176.62 3i7z n HIS 296 N -2.82 -2.30 0.87 4.77 8.25 -1.17 -4.86 115.22 117.96 3i7z n HIS 296 Ca 0.03 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 3i7z n HIS 296 Cb 0.51 -4.70 0.00 0.00 1.12 0.00 0.00 29.99 26.92 3i7z n HIS 296 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3i7z n GLU 297 N -3.78 0.87 0.00 -0.41 0.28 -1.26 -4.57 120.64 111.78 3i7z n GLU 297 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 3i7z n GLU 297 Cb 0.65 -1.19 0.00 0.00 1.43 0.00 0.00 31.44 32.33 3i7z n GLU 297 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72