#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7o s ILE 6 N 0.00 1.63 -0.29 -3.67 1.01 -1.26 -5.10 121.20 113.52 1s7o s ILE 6 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1s7o s ILE 6 Cb 0.00 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1s7o s ILE 6 CO 0.00 0.32 1.06 -0.70 0.00 0.00 0.00 174.94 175.62 1s7o s GLU 7 N 1.43 4.13 0.38 2.79 2.12 -1.26 -5.02 118.70 123.28 1s7o s GLU 7 Ca 0.02 1.17 -0.25 0.00 0.36 0.00 0.00 54.97 56.27 1s7o s GLU 7 Cb -0.14 -3.70 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 1s7o s GLU 7 CO -0.10 -0.81 1.03 0.15 -0.54 0.00 0.00 175.26 175.00 1s7o s LYS 8 N 3.50 4.27 0.13 4.30 1.02 -1.26 -5.06 119.74 126.63 1s7o s LYS 8 Ca 0.45 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.86 1s7o s LYS 8 Cb -0.13 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1s7o s LYS 8 CO 0.12 -0.05 0.18 0.95 -0.92 0.00 0.00 175.35 175.64 1s7o s THR 9 N -1.64 0.10 0.17 2.17 -4.23 -1.26 -5.05 115.64 105.90 1s7o s THR 9 Ca 0.56 -1.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.48 1s7o s THR 9 Cb -0.21 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 1s7o s THR 9 CO 0.27 -0.47 1.54 0.78 -0.54 0.00 0.00 174.62 176.20 1s7o h ASN 10 N 2.72 0.88 0.07 3.99 2.35 -1.98 0.43 115.58 124.04 1s7o h ASN 10 Ca -0.33 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1s7o h ASN 10 Cb 1.21 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1s7o h ASN 10 CO 0.54 1.14 -0.04 -0.09 -1.65 0.00 0.00 177.43 177.33 1s7o h ARG 11 N 0.70 -0.10 -0.75 0.81 2.43 -1.98 -0.20 114.38 115.29 1s7o h ARG 11 Ca 0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1s7o h ARG 11 Cb 0.90 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1s7o h ARG 11 CO 0.08 -0.07 0.30 1.98 -1.51 0.00 0.00 179.97 180.76 1s7o h MET 12 N -0.10 1.12 -0.96 0.20 4.05 -1.92 0.26 114.93 117.57 1s7o h MET 12 Ca -0.01 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1s7o h MET 12 Cb 0.09 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 1s7o h MET 12 CO 0.01 0.91 0.64 -0.97 0.23 0.00 0.00 176.91 177.73 1s7o h ASN 13 N 1.08 1.10 -0.27 1.39 -1.24 -0.79 -1.81 115.58 115.04 1s7o h ASN 13 Ca 0.25 -0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.10 1s7o h ASN 13 Cb 0.21 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1s7o h ASN 13 CO -0.02 0.79 -0.32 0.00 -1.29 0.00 0.00 177.43 176.59 1s7o h ALA 14 N 1.36 0.75 -0.61 1.57 0.00 0.11 -1.79 119.26 120.65 1s7o h ALA 14 Ca 0.35 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1s7o h ALA 14 Cb -0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1s7o h ALA 14 CO -0.08 0.66 0.36 -0.07 0.00 0.00 0.00 179.25 180.11 1s7o h LEU 15 N 0.67 0.74 -0.49 0.00 3.38 0.04 0.53 115.31 120.17 1s7o h LEU 15 Ca 0.07 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1s7o h LEU 15 Cb 0.87 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1s7o h LEU 15 CO 0.08 0.59 0.25 0.15 0.09 0.00 0.00 178.44 179.59 1s7o h PHE 16 N 0.82 0.46 -0.61 1.13 3.57 -1.19 0.17 116.94 121.28 1s7o h PHE 16 Ca 0.22 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1s7o h PHE 16 Cb -0.01 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1s7o h PHE 16 CO -0.02 0.23 0.05 0.93 -2.23 0.00 0.00 178.31 177.28 1s7o h GLU 17 N 0.49 1.04 -0.35 1.11 5.08 -0.75 0.15 114.58 121.35 1s7o h GLU 17 Ca 0.21 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1s7o h GLU 17 Cb 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s7o h GLU 17 CO -0.15 0.99 -0.02 0.74 -1.00 0.00 0.00 179.01 179.58 1s7o h PHE 18 N 0.94 0.69 -0.10 4.33 0.05 -0.31 -3.36 116.94 119.18 1s7o h PHE 18 Ca 0.18 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.84 1s7o h PHE 18 Cb 0.49 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.26 1s7o h PHE 18 CO 0.04 0.75 0.00 0.66 -0.18 0.00 0.00 178.31 179.57 1s7o n TYR 19 N -4.49 0.12 -0.29 -0.55 0.53 0.52 -4.68 117.16 108.32 1s7o n TYR 19 Ca -0.02 -0.11 0.08 0.00 -1.02 0.00 0.00 57.90 56.83 1s7o n TYR 19 Cb 0.29 -0.01 0.20 0.00 -1.03 0.00 0.00 39.34 38.79 1s7o n TYR 19 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1s7o h ALA 20 N 2.41 0.91 -0.02 -0.72 0.00 -0.86 0.23 119.26 121.21 1s7o h ALA 20 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1s7o h ALA 20 Cb 0.58 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1s7o h ALA 20 CO 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 179.25 178.83 1s7o h ALA 21 N 1.82 1.32 0.00 0.00 0.00 -1.85 -0.26 119.26 120.29 1s7o h ALA 21 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1s7o h ALA 21 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s7o h ALA 21 CO -0.78 -0.06 0.00 -0.07 0.00 0.00 0.00 179.25 178.34 1s7o h LEU 22 N 0.00 0.00-10.27 0.00 3.38 -0.88 -3.46 115.31 104.08 1s7o h LEU 22 Ca 0.01 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 1s7o h LEU 22 Cb 0.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.91 1s7o h LEU 22 CO -0.00 0.00 0.39 -0.76 0.09 0.00 0.00 178.44 178.16 1s7o s LEU 23 N -5.21 3.40 0.77 1.67 1.43 -0.11 -5.06 118.68 115.57 1s7o s LEU 23 Ca 0.07 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1s7o s LEU 23 Cb 0.09 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.87 1s7o s LEU 23 CO 0.58 -0.92 1.14 0.42 0.23 0.00 0.00 176.35 177.80 1s7o s THR 24 N -2.84 2.44 0.20 5.49 -4.23 -1.26 -4.85 115.64 110.58 1s7o s THR 24 Ca 0.58 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 1s7o s THR 24 Cb -0.12 -3.13 0.13 0.00 1.34 0.00 0.00 72.50 70.72 1s7o s THR 24 CO 0.43 -0.17 1.77 0.44 -0.54 0.00 0.00 174.62 176.55 1s7o h ASP 25 N -0.91 0.36 0.61 3.99 3.32 -1.97 -0.16 116.42 121.66 1s7o h ASP 25 Ca -0.46 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 1s7o h ASP 25 Cb 1.31 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1s7o h ASP 25 CO 0.65 0.23 -0.30 0.11 -1.72 0.00 0.00 179.24 178.20 1s7o h LYS 26 N 0.51 0.00 0.00 3.56 1.79 -2.02 -0.33 116.57 120.08 1s7o h LYS 26 Ca 0.29 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.69 1s7o h LYS 26 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1s7o h LYS 26 CO -0.24 0.30 -0.32 1.96 -1.08 0.00 0.00 179.45 180.08 1s7o h GLN 27 N 0.00 0.00 0.01 3.15 4.20 -1.44 -3.37 115.11 117.65 1s7o h GLN 27 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 1s7o h GLN 27 Cb 0.69 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 1s7o h GLN 27 CO 0.04 0.32 -2.38 -0.12 -0.67 0.00 0.00 178.83 176.02 1s7o n MET 28 N -3.22 0.67 -0.34 1.46 1.56 -0.44 -4.57 117.12 112.24 1s7o n MET 28 Ca 0.02 0.09 0.09 0.00 -0.27 0.00 0.00 57.70 57.63 1s7o n MET 28 Cb 0.63 -1.54 0.26 0.00 2.15 0.00 0.00 33.22 34.72 1s7o n MET 28 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 1s7o h ASN 29 N 0.00 0.80 0.03 6.12 2.35 -1.24 -1.56 115.58 122.09 1s7o h ASN 29 Ca -0.54 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1s7o h ASN 29 Cb 2.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.37 1s7o h ASN 29 CO -0.02 0.37 -0.19 1.88 -1.65 0.00 0.00 177.43 177.82 1s7o h TYR 30 N 0.84 0.12 -0.12 1.19 0.05 -1.83 -3.12 116.97 114.10 1s7o h TYR 30 Ca 0.52 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 59.18 1s7o h TYR 30 Cb 0.65 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1s7o h TYR 30 CO -0.02 1.07 -0.04 0.97 -1.05 0.00 0.00 178.16 179.09 1s7o h ILE 31 N -0.86 1.11 -0.61 -2.88 2.10 -1.77 -1.06 117.51 113.53 1s7o h ILE 31 Ca -0.03 -0.46 -0.04 0.00 1.08 0.00 0.00 64.86 65.41 1s7o h ILE 31 Cb 1.14 1.07 -0.03 0.00 -1.09 0.00 0.00 36.82 37.92 1s7o h ILE 31 CO 0.03 0.15 0.24 -0.08 -1.08 0.00 0.00 178.15 177.40 1s7o h GLU 32 N 0.17 0.92 -0.36 2.19 4.81 -1.35 -1.42 114.58 119.55 1s7o h GLU 32 Ca 0.04 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1s7o h GLU 32 Cb 0.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1s7o h GLU 32 CO 0.01 0.78 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.70 1s7o h LEU 33 N 0.85 0.80 0.11 1.64 3.38 -1.21 0.52 115.31 121.40 1s7o h LEU 33 Ca 0.20 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1s7o h LEU 33 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1s7o h LEU 33 CO -0.02 1.04 -0.05 0.22 0.09 0.00 0.00 178.44 179.73 1s7o h TYR 34 N 0.66 -0.14 0.01 1.13 3.20 -0.90 -1.82 116.97 119.11 1s7o h TYR 34 Ca 0.08 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 1s7o h TYR 34 Cb 0.83 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1s7o h TYR 34 CO 0.04 -0.04 -0.92 1.88 -1.64 0.00 0.00 178.16 177.48 1s7o h TYR 35 N -0.19 0.02 0.00 -3.82 -1.99 -1.28 -3.09 116.97 106.62 1s7o h TYR 35 Ca -0.01 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 1s7o h TYR 35 Cb 0.15 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1s7o h TYR 35 CO -0.06 1.36 -0.45 0.00 -0.00 0.00 0.00 178.16 179.02 1s7o h ALA 36 N -0.33 0.74 -0.05 3.88 0.00 -1.03 -3.33 119.26 119.14 1s7o h ALA 36 Ca -0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1s7o h ALA 36 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s7o h ALA 36 CO -0.14 0.48 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 1s7o n ASP 37 N -3.17 1.84 -3.66 0.00 8.00 -0.88 -5.00 116.55 113.69 1s7o n ASP 37 Ca 0.02 -1.68 -0.28 0.00 0.71 0.00 0.00 54.79 53.56 1s7o n ASP 37 Cb 0.69 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.76 1s7o n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s7o n ASP 38 N -0.14 -4.29 -4.80 -2.24 8.00 -0.83 -4.94 116.55 107.31 1s7o n ASP 38 Ca 0.02 -0.61 -0.33 0.00 0.71 0.00 0.00 54.79 54.58 1s7o n ASP 38 Cb 0.21 -3.48 -0.02 0.00 -0.02 0.00 0.00 41.12 37.80 1s7o n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1s7o s TYR 39 N -3.13 3.04 0.53 1.24 1.51 -0.75 -4.99 117.35 114.81 1s7o s TYR 39 Ca 0.54 1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 58.06 1s7o s TYR 39 Cb -0.28 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.51 1s7o s TYR 39 CO 0.67 -0.83 0.91 -1.54 -1.11 0.00 0.00 175.55 173.64 1s7o s SER 40 N -2.29 6.32 0.26 2.29 1.04 -1.26 -4.48 113.70 115.59 1s7o s SER 40 Ca 0.65 1.23 -0.02 0.00 0.48 0.00 0.00 55.95 58.29 1s7o s SER 40 Cb -0.15 -2.38 0.46 0.00 0.10 0.00 0.00 66.02 64.05 1s7o s SER 40 CO 0.25 -0.68 1.84 -0.07 0.98 0.00 0.00 173.24 175.56 1s7o h LEU 41 N 0.20 0.86 -0.33 2.42 3.38 -1.97 -1.58 115.31 118.29 1s7o h LEU 41 Ca -0.46 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1s7o h LEU 41 Cb 1.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1s7o h LEU 41 CO 0.62 0.49 0.18 0.00 0.09 0.00 0.00 178.44 179.82 1s7o h ALA 42 N 1.49 0.42 -0.83 1.53 0.00 -1.94 -1.50 119.26 118.43 1s7o h ALA 42 Ca 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1s7o h ALA 42 Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1s7o h ALA 42 CO -0.24 -0.05 0.47 0.93 0.00 0.00 0.00 179.25 180.36 1s7o h GLU 43 N 0.41 1.16 0.07 0.00 5.08 -1.75 -0.59 114.58 118.95 1s7o h GLU 43 Ca 0.12 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s7o h GLU 43 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1s7o h GLU 43 CO -0.02 0.84 -0.03 0.82 -1.00 0.00 0.00 179.01 179.62 1s7o h ILE 44 N 1.16 0.95 -0.85 3.13 2.04 -1.07 -0.73 117.51 122.13 1s7o h ILE 44 Ca 0.30 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.18 1s7o h ILE 44 Cb 0.01 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1s7o h ILE 44 CO -0.05 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.63 1s7o h ALA 45 N 0.81 1.19 -0.54 1.87 0.00 -1.01 -1.12 119.26 120.46 1s7o h ALA 45 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1s7o h ALA 45 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s7o h ALA 45 CO 0.02 0.21 0.22 -0.44 0.00 0.00 0.00 179.25 179.26 1s7o h ASP 46 N 0.91 0.75 -0.37 0.00 3.32 -0.76 -0.26 116.42 120.00 1s7o h ASP 46 Ca 0.39 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1s7o h ASP 46 Cb 0.26 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1s7o h ASP 46 CO -0.20 0.71 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.67 1s7o h GLU 47 N 0.74 0.76 -0.02 3.56 4.39 0.02 -3.10 114.58 120.92 1s7o h GLU 47 Ca 0.18 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1s7o h GLU 47 Cb 0.19 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1s7o h GLU 47 CO -0.02 0.78 -0.22 1.19 -1.16 0.00 0.00 179.01 179.59 1s7o n PHE 48 N -4.21 0.00 -3.02 4.33 3.01 -0.56 -4.98 117.46 112.03 1s7o n PHE 48 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 1s7o n PHE 48 Cb 0.30 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.79 1s7o n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s7o n GLY 49 N 1.34 0.14 3.39 1.37 0.00 -0.19 -5.04 105.19 106.20 1s7o n GLY 49 Ca 0.13 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1s7o n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s7o s VAL 50 N -3.17 0.34 0.42 1.61 -7.23 -0.70 -5.06 120.40 106.61 1s7o s VAL 50 Ca 0.26 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.24 1s7o s VAL 50 Cb -0.11 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 1s7o s VAL 50 CO 0.38 0.00 0.89 -0.94 -0.31 0.00 0.00 175.10 175.13 1s7o s SER 51 N -3.46 6.82 0.23 4.85 1.04 -1.26 -4.45 113.70 117.46 1s7o s SER 51 Ca 0.33 1.53 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 1s7o s SER 51 Cb 0.03 -2.48 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1s7o s SER 51 CO 0.19 -0.37 1.86 0.03 0.98 0.00 0.00 173.24 175.93 1s7o h ARG 52 N 1.77 0.94 -0.99 4.02 3.08 -1.93 -1.44 114.38 119.84 1s7o h ARG 52 Ca -0.48 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 59.59 1s7o h ARG 52 Cb 1.18 -0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 1s7o h ARG 52 CO 0.62 0.62 0.64 0.37 -1.07 0.00 0.00 179.97 181.15 1s7o h GLN 53 N 0.97 1.09 -0.60 0.04 4.15 -1.96 0.19 115.11 118.99 1s7o h GLN 53 Ca 0.33 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 1s7o h GLN 53 Cb 0.06 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1s7o h GLN 53 CO -0.13 0.72 -0.00 0.00 -1.93 0.00 0.00 178.83 177.49 1s7o h ALA 54 N 1.48 0.81 -0.36 3.38 0.00 -1.66 -0.53 119.26 122.38 1s7o h ALA 54 Ca 0.44 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1s7o h ALA 54 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s7o h ALA 54 CO -0.18 0.66 -0.04 0.28 0.00 0.00 0.00 179.25 179.97 1s7o h VAL 55 N 0.97 1.27 -0.25 0.00 2.07 -0.65 -2.19 116.25 117.47 1s7o h VAL 55 Ca 0.17 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1s7o h VAL 55 Cb 0.56 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1s7o h VAL 55 CO 0.03 0.35 -0.01 0.22 0.02 0.00 0.00 177.57 178.18 1s7o h TYR 56 N 0.46 -0.04 -0.31 1.57 3.20 -0.27 -0.94 116.97 120.65 1s7o h TYR 56 Ca 0.10 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1s7o h TYR 56 Cb 0.52 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1s7o h TYR 56 CO 0.04 -0.05 -0.16 -0.44 -1.64 0.00 0.00 178.16 175.91 1s7o h ASP 57 N 0.06 0.54 -0.19 -2.11 3.32 -1.08 -1.97 116.42 114.97 1s7o h ASP 57 Ca 0.12 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1s7o h ASP 57 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1s7o h ASP 57 CO -0.21 0.71 0.01 -1.13 -1.72 0.00 0.00 179.24 176.91 1s7o h ASN 58 N 0.50 0.32 -0.67 6.45 -0.73 -0.72 -1.11 115.58 119.62 1s7o h ASN 58 Ca 0.09 -0.29 -0.05 0.00 1.87 0.00 0.00 56.30 57.92 1s7o h ASN 58 Cb 0.56 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 1s7o h ASN 58 CO 0.04 0.53 0.23 0.40 -0.37 0.00 0.00 177.43 178.26 1s7o h ILE 59 N 0.11 1.25 -1.01 2.57 2.04 -1.06 -1.53 117.51 119.88 1s7o h ILE 59 Ca 0.06 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1s7o h ILE 59 Cb 0.36 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1s7o h ILE 59 CO 0.01 0.32 0.66 0.11 0.00 0.00 0.00 178.15 179.25 1s7o h LYS 60 N 0.96 1.22 -0.47 2.37 1.57 -1.24 0.12 116.57 121.11 1s7o h LYS 60 Ca 0.22 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1s7o h LYS 60 Cb 0.26 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1s7o h LYS 60 CO -0.01 0.81 0.29 0.00 -0.57 0.00 0.00 179.45 179.96 1s7o h ARG 61 N 1.26 0.56 -0.57 3.15 3.08 -0.23 -2.38 114.38 119.24 1s7o h ARG 61 Ca 0.41 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.32 1s7o h ARG 61 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1s7o h ARG 61 CO -0.13 0.37 -0.04 1.15 -1.07 0.00 0.00 179.97 180.24 1s7o h THR 62 N 0.58 1.27 -0.72 2.04 2.02 -0.71 -1.50 112.91 115.88 1s7o h THR 62 Ca 0.18 -1.19 0.08 0.00 0.77 0.00 0.00 66.41 66.25 1s7o h THR 62 Cb -0.01 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1s7o h THR 62 CO -0.07 0.43 0.48 -0.33 0.37 0.00 0.00 175.52 176.39 1s7o h GLU 63 N 0.93 0.66 -0.29 6.66 5.08 -0.65 0.49 114.58 127.47 1s7o h GLU 63 Ca 0.16 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 1s7o h GLU 63 Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s7o h GLU 63 CO 0.04 0.44 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.70 1s7o h LYS 64 N 0.68 0.88 -0.67 2.33 3.64 -0.91 -1.58 116.57 120.94 1s7o h LYS 64 Ca 0.32 -0.57 -0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1s7o h LYS 64 Cb 0.37 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1s7o h LYS 64 CO -0.11 1.20 0.23 0.82 -2.27 0.00 0.00 179.45 179.32 1s7o h ILE 65 N 0.67 1.24 -0.37 2.00 2.04 -0.18 -0.11 117.51 122.80 1s7o h ILE 65 Ca 0.01 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1s7o h ILE 65 Cb 1.17 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1s7o h ILE 65 CO 0.13 0.32 -0.19 -0.07 0.00 0.00 0.00 178.15 178.34 1s7o h LEU 66 N 0.99 0.70 -0.77 1.44 3.38 0.27 -0.64 115.31 120.68 1s7o h LEU 66 Ca 0.22 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1s7o h LEU 66 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1s7o h LEU 66 CO -0.01 0.89 -0.44 -0.08 0.09 0.00 0.00 178.44 178.88 1s7o h GLU 67 N 0.62 0.38 -0.35 1.13 4.57 -0.91 -1.56 114.58 118.47 1s7o h GLU 67 Ca 0.10 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 1s7o h GLU 67 Cb 0.66 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1s7o h GLU 67 CO 0.05 0.76 -0.23 1.15 -1.18 0.00 0.00 179.01 179.55 1s7o h THR 68 N 0.31 1.29 -0.75 0.32 2.02 -0.46 -2.13 112.91 113.52 1s7o h THR 68 Ca 0.02 -1.38 0.04 0.00 0.77 0.00 0.00 66.41 65.87 1s7o h THR 68 Cb 0.91 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 1s7o h THR 68 CO 0.08 0.45 0.46 1.88 0.37 0.00 0.00 175.52 178.76 1s7o h TYR 69 N 0.56 0.85 -0.74 3.16 0.05 -0.82 -1.81 116.97 118.22 1s7o h TYR 69 Ca 0.07 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1s7o h TYR 69 Cb 0.79 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1s7o h TYR 69 CO 0.06 0.46 0.30 1.49 -1.05 0.00 0.00 178.16 179.42 1s7o h GLU 70 N 0.87 1.11 0.00 4.88 4.57 -1.12 0.78 114.58 125.67 1s7o h GLU 70 Ca 0.31 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1s7o h GLU 70 Cb 0.09 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1s7o h GLU 70 CO -0.14 0.91 -0.09 0.52 -1.18 0.00 0.00 179.01 179.03 1s7o h MET 71 N 1.07 0.00 0.07 1.92 2.86 -0.98 0.19 114.93 120.05 1s7o h MET 71 Ca 0.25 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.56 1s7o h MET 71 Cb 0.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1s7o h MET 71 CO -0.02 0.09 -1.84 0.87 1.06 0.00 0.00 176.91 177.06 1s7o h LYS 72 N 0.00 0.15 0.00 1.72 1.57 -0.44 -3.43 116.57 116.15 1s7o h LYS 72 Ca -0.00 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1s7o h LYS 72 Cb 0.22 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1s7o h LYS 72 CO 0.01 0.90 -1.25 1.28 -0.57 0.00 0.00 179.45 179.82 1s7o n LEU 73 N -3.29 0.00 -2.79 2.94 4.77 0.17 -5.03 117.00 113.76 1s7o n LEU 73 Ca -0.24 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.53 1s7o n LEU 73 Cb 1.05 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 42.18 1s7o n LEU 73 CO 0.44 0.03 -0.11 1.41 -1.33 0.00 0.00 177.39 177.83 1s7o n HIS 74 N -1.81 -1.57 -0.16 -1.77 8.25 0.64 -4.86 115.22 113.94 1s7o n HIS 74 Ca -0.03 0.27 -0.05 0.00 -0.26 0.00 0.00 57.72 57.66 1s7o n HIS 74 Cb 0.28 -3.82 0.13 0.00 1.12 0.00 0.00 29.99 27.69 1s7o n HIS 74 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1s7o h MET 75 N -0.69 0.91 0.14 -0.41 2.86 -1.89 -0.85 114.93 115.00 1s7o h MET 75 Ca -0.47 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 56.94 1s7o h MET 75 Cb 1.33 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1s7o h MET 75 CO 0.53 0.86 -0.07 -0.92 1.06 0.00 0.00 176.91 178.37 1s7o h TYR 76 N 0.86 -0.18 -0.68 -0.22 3.20 -1.91 -1.65 116.97 116.39 1s7o h TYR 76 Ca 0.18 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1s7o h TYR 76 Cb 0.39 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1s7o h TYR 76 CO 0.02 0.25 0.24 0.66 -1.64 0.00 0.00 178.16 177.70 1s7o h SER 77 N -0.70 0.95 -0.57 -2.11 4.64 -1.94 0.04 113.55 113.86 1s7o h SER 77 Ca -0.02 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1s7o h SER 77 Cb 0.51 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1s7o h SER 77 CO 0.03 0.87 0.38 0.44 -0.87 0.00 0.00 176.83 177.67 1s7o h ASP 78 N 1.00 0.64 -0.35 4.97 3.32 -1.18 -1.65 116.42 123.16 1s7o h ASP 78 Ca 0.23 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 1s7o h ASP 78 Cb 0.24 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1s7o h ASP 78 CO -0.01 0.46 -0.43 0.22 -1.72 0.00 0.00 179.24 177.75 1s7o h TYR 79 N 0.75 1.12 -0.13 4.55 3.20 -0.07 -1.38 116.97 125.02 1s7o h TYR 79 Ca 0.21 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1s7o h TYR 79 Cb -0.06 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1s7o h TYR 79 CO -0.00 1.19 0.08 0.28 -1.64 0.00 0.00 178.16 178.07 1s7o h VAL 80 N 0.74 1.04 -0.14 1.81 2.07 -0.60 -1.92 116.25 119.26 1s7o h VAL 80 Ca 0.05 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1s7o h VAL 80 Cb 1.03 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1s7o h VAL 80 CO 0.10 0.04 0.01 0.58 0.02 0.00 0.00 177.57 178.33 1s7o h VAL 81 N 0.17 0.92 -0.83 2.57 2.07 -1.25 -1.82 116.25 118.08 1s7o h VAL 81 Ca 0.05 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1s7o h VAL 81 Cb -0.01 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1s7o h VAL 81 CO -0.01 0.01 0.49 0.03 0.02 0.00 0.00 177.57 178.11 1s7o h ARG 82 N 0.06 0.84 -0.02 1.57 3.08 -1.14 -1.10 114.38 117.67 1s7o h ARG 82 Ca 0.06 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1s7o h ARG 82 Cb 0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1s7o h ARG 82 CO -0.10 0.55 -0.49 0.66 -1.07 0.00 0.00 179.97 179.53 1s7o h SER 83 N 0.86 0.06 -0.50 7.04 4.64 -0.75 -0.54 113.55 124.36 1s7o h SER 83 Ca 0.38 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.62 1s7o h SER 83 Cb 0.27 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1s7o h SER 83 CO -0.21 0.54 0.10 -0.33 -0.87 0.00 0.00 176.83 176.06 1s7o h GLU 84 N 0.05 0.82 -0.51 4.77 5.08 -0.43 -0.11 114.58 124.25 1s7o h GLU 84 Ca -0.00 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1s7o h GLU 84 Cb 0.88 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s7o h GLU 84 CO 0.07 0.81 0.02 0.82 -1.00 0.00 0.00 179.01 179.72 1s7o h ILE 85 N 0.71 1.26 -0.74 3.13 2.04 -1.00 -0.36 117.51 122.55 1s7o h ILE 85 Ca 0.16 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1s7o h ILE 85 Cb 0.37 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1s7o h ILE 85 CO 0.01 0.37 0.49 -0.26 0.00 0.00 0.00 178.15 178.75 1s7o h PHE 86 N 0.75 0.92 -0.76 1.37 0.04 -0.98 -0.11 116.94 118.17 1s7o h PHE 86 Ca 0.15 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 1s7o h PHE 86 Cb 0.49 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1s7o h PHE 86 CO 0.04 0.58 0.38 -0.44 -0.60 0.00 0.00 178.31 178.26 1s7o h ASP 87 N 0.99 0.96 -0.69 2.17 3.32 -0.48 -1.07 116.42 121.63 1s7o h ASP 87 Ca 0.27 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1s7o h ASP 87 Cb -0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1s7o h ASP 87 CO -0.06 0.80 0.41 0.44 -1.72 0.00 0.00 179.24 179.10 1s7o h ASP 88 N 1.07 0.84 -0.26 6.45 3.32 -0.40 -1.96 116.42 125.48 1s7o h ASP 88 Ca 0.26 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1s7o h ASP 88 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1s7o h ASP 88 CO -0.04 0.67 -0.30 0.24 -1.72 0.00 0.00 179.24 178.09 1s7o h MET 89 N 0.94 0.77 -0.51 3.56 2.86 -0.26 -1.11 114.93 121.18 1s7o h MET 89 Ca 0.25 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1s7o h MET 89 Cb -0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1s7o h MET 89 CO -0.04 0.97 -0.04 0.82 1.06 0.00 0.00 176.91 179.68 1s7o h ILE 90 N 0.65 1.26 -0.02 -1.22 2.04 -0.92 -1.05 117.51 118.25 1s7o h ILE 90 Ca 0.08 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1s7o h ILE 90 Cb 0.83 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1s7o h ILE 90 CO 0.07 0.39 -0.44 0.00 0.00 0.00 0.00 178.15 178.18 1s7o h ALA 91 N 1.14 1.24 -0.01 1.87 0.00 -0.93 -2.95 119.26 119.62 1s7o h ALA 91 Ca 0.15 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1s7o h ALA 91 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s7o h ALA 91 CO 0.03 0.56 -0.79 1.25 0.00 0.00 0.00 179.25 180.30 1s7o h HIS 92 N 0.04 0.22 -2.22 0.00 -0.00 -0.69 -3.35 115.15 109.14 1s7o h HIS 92 Ca -0.00 -0.11 -0.59 0.00 -0.00 0.00 0.00 60.37 59.67 1s7o h HIS 92 Cb 0.79 -0.03 -0.42 0.00 -0.00 0.00 0.00 27.41 27.75 1s7o h HIS 92 CO 0.00 0.87 -0.64 0.66 -0.00 0.00 0.00 177.93 178.83 1s7o n TYR 93 N -3.70 3.62 -0.18 5.26 4.02 -0.45 -4.96 117.16 120.78 1s7o n TYR 93 Ca -0.03 -4.07 0.14 0.00 -0.01 0.00 0.00 57.90 53.93 1s7o n TYR 93 Cb 0.75 -0.52 0.47 0.00 -0.02 0.00 0.00 39.34 40.01 1s7o n TYR 93 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1s7o h PRO 94 N 3.69 0.48 -0.21 -0.72 0.11 -1.67 -2.65 132.00 131.04 1s7o h PRO 94 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1s7o h PRO 94 Cb 0.61 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1s7o h PRO 94 CO 0.81 0.32 0.00 0.72 -0.21 0.00 0.00 178.00 179.64 1s7o n HIS 95 N -4.49 0.57 -2.88 0.65 8.25 -1.26 -4.93 115.22 111.13 1s7o n HIS 95 Ca 0.14 -0.78 -0.43 0.00 -0.26 0.00 0.00 57.72 56.39 1s7o n HIS 95 Cb 0.48 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 1s7o n HIS 95 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1s7o s ASP 96 N -1.82 6.22 0.24 0.41 -1.08 -1.00 -4.87 116.67 114.77 1s7o s ASP 96 Ca 0.32 -0.82 -0.05 0.00 -0.52 0.00 0.00 52.55 51.48 1s7o s ASP 96 Cb 0.25 -2.41 0.26 0.00 -1.46 0.00 0.00 42.92 39.56 1s7o s ASP 96 CO 0.08 -1.35 1.83 -0.33 0.52 0.00 0.00 175.17 175.93 1s7o h GLU 97 N 9.46 1.11 -0.20 4.34 5.08 -1.91 0.70 114.58 133.16 1s7o h GLU 97 Ca -0.28 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1s7o h GLU 97 Cb 1.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1s7o h GLU 97 CO 1.14 0.88 0.05 -0.92 -1.00 0.00 0.00 179.01 179.16 1s7o h TYR 98 N 1.09 0.32 -0.52 4.33 3.20 -1.99 0.47 116.97 123.87 1s7o h TYR 98 Ca 0.26 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1s7o h TYR 98 Cb 0.16 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1s7o h TYR 98 CO 0.02 0.41 0.25 1.25 -1.64 0.00 0.00 178.16 178.45 1s7o h LEU 99 N 0.14 0.68 -0.68 2.82 5.85 -1.87 -0.81 115.31 121.43 1s7o h LEU 99 Ca 0.06 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1s7o h LEU 99 Cb 0.25 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1s7o h LEU 99 CO -0.00 0.62 0.37 1.56 -0.34 0.00 0.00 178.44 180.65 1s7o h GLN 100 N 0.70 0.66 -0.42 1.25 4.20 -0.62 0.08 115.11 120.95 1s7o h GLN 100 Ca 0.18 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1s7o h GLN 100 Cb 0.12 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1s7o h GLN 100 CO -0.02 0.44 -0.17 1.49 -0.67 0.00 0.00 178.83 179.89 1s7o h GLU 101 N 0.68 0.79 -0.58 1.46 4.57 -0.30 -1.63 114.58 119.56 1s7o h GLU 101 Ca 0.31 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1s7o h GLU 101 Cb 0.22 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1s7o h GLU 101 CO -0.20 0.91 0.21 0.87 -1.18 0.00 0.00 179.01 179.62 1s7o h LYS 102 N 0.70 0.89 -0.28 1.92 1.79 -0.18 -1.16 116.57 120.25 1s7o h LYS 102 Ca 0.11 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 1s7o h LYS 102 Cb 0.68 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1s7o h LYS 102 CO 0.05 0.78 -0.14 0.82 -1.08 0.00 0.00 179.45 179.89 1s7o h ILE 103 N 0.81 1.23 -0.05 1.86 2.04 -0.79 0.66 117.51 123.26 1s7o h ILE 103 Ca 0.19 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 1s7o h ILE 103 Cb 0.24 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1s7o h ILE 103 CO -0.01 0.34 -0.49 -1.28 0.00 0.00 0.00 178.15 176.71 1s7o h SER 104 N 0.45 0.15 -0.21 1.72 0.87 -0.73 0.13 113.55 115.93 1s7o h SER 104 Ca 0.08 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.38 1s7o h SER 104 Cb 0.51 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1s7o h SER 104 CO 0.03 0.62 -0.61 0.40 -0.53 0.00 0.00 176.83 176.73 1s7o h ILE 105 N 0.11 1.28 -0.30 2.23 2.04 0.01 -2.82 117.51 120.06 1s7o h ILE 105 Ca 0.00 -1.81 -0.08 0.00 1.00 0.00 0.00 64.86 63.98 1s7o h ILE 105 Cb 0.91 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1s7o h ILE 105 CO 0.07 0.58 -0.11 -0.07 0.00 0.00 0.00 178.15 178.62 1s7o h LEU 106 N 0.61 0.62 -1.47 1.44 3.38 -0.51 -2.71 115.31 116.67 1s7o h LEU 106 Ca -0.00 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1s7o h LEU 106 Cb 1.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1s7o h LEU 106 CO 0.13 0.87 0.48 0.74 0.09 0.00 0.00 178.44 180.75 1s7o h THR 107 N 0.37 0.91 0.00 0.22 2.02 -0.79 -1.07 112.91 114.57 1s7o h THR 107 Ca 0.07 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1s7o h THR 107 Cb 0.62 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1s7o h THR 107 CO 0.04 0.11 -0.70 0.77 0.37 0.00 0.00 175.52 176.10 1s7o h SER 108 N 0.58 0.00 -0.07 4.18 4.64 -1.24 -0.48 113.55 121.17 1s7o h SER 108 Ca 0.34 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1s7o h SER 108 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1s7o h SER 108 CO -0.12 0.41 -0.30 0.40 -0.87 0.00 0.00 176.83 176.36 1s7o h ILE 109 N 0.00 1.28 -0.14 0.95 2.04 -1.07 0.33 117.51 120.90 1s7o h ILE 109 Ca -0.04 -1.37 -0.13 0.00 1.00 0.00 0.00 64.86 64.32 1s7o h ILE 109 Cb 1.35 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1s7o h ILE 109 CO 0.05 0.44 -0.48 0.44 0.00 0.00 0.00 178.15 178.59 1s7o h ASP 110 N 0.46 0.38 0.36 1.72 5.19 -0.85 -2.64 116.42 121.04 1s7o h ASP 110 Ca 0.06 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1s7o h ASP 110 Cb 0.75 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1s7o h ASP 110 CO 0.06 0.80 -0.41 0.59 -3.12 0.00 0.00 179.24 177.16 1s7o n ASN 111 N -3.97 0.78 0.00 6.45 3.02 -0.22 -5.10 115.26 116.22 1s7o n ASN 111 Ca -0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1s7o n ASN 111 Cb 0.54 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1s7o n ASN 111 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18