#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqh n ASP 8 N 0.00 0.74 0.21 1.61 2.03 -1.26 -4.84 116.55 115.04 1sqh n ASP 8 Ca 0.00 0.73 0.15 0.00 0.52 0.00 0.00 54.79 56.19 1sqh n ASP 8 Cb 0.00 -1.42 0.76 0.00 -0.72 0.00 0.00 41.12 39.74 1sqh n ASP 8 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1sqh h ILE 9 N 0.07 0.00 -3.40 5.18 2.10 -1.93 -3.40 117.51 116.14 1sqh h ILE 9 Ca -0.48 -0.04 -0.59 0.00 1.08 0.00 0.00 64.86 64.83 1sqh h ILE 9 Cb 1.35 0.70 -0.11 0.00 -1.09 0.00 0.00 36.82 37.67 1sqh h ILE 9 CO 0.49 0.00 -0.26 -0.76 -1.08 0.00 0.00 178.15 176.54 1sqh s LEU 10 N -5.02 4.20 -0.15 2.19 1.43 -1.26 0.24 118.68 120.30 1sqh s LEU 10 Ca -0.02 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1sqh s LEU 10 Cb 0.08 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1sqh s LEU 10 CO 0.28 0.01 -0.11 -0.60 0.23 0.00 0.00 176.35 176.16 1sqh s ARG 11 N 0.90 3.39 0.09 1.70 3.52 0.70 -4.81 118.95 124.45 1sqh s ARG 11 Ca 0.18 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.81 1sqh s ARG 11 Cb -0.14 -2.74 -0.09 0.00 -1.56 0.00 0.00 34.95 30.42 1sqh s ARG 11 CO 0.06 0.11 1.75 -1.25 -0.81 0.00 0.00 175.30 175.16 1sqh s PRO 12 N 0.64 4.17 0.33 5.12 0.04 -1.26 -1.74 135.00 142.29 1sqh s PRO 12 Ca -0.06 2.46 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 1sqh s PRO 12 Cb -0.15 -3.63 -0.10 0.00 0.04 0.00 0.00 34.50 30.66 1sqh s PRO 12 CO 0.03 -0.80 0.96 -0.51 0.04 0.00 0.00 177.00 176.72 1sqh s LEU 13 N 2.79 4.33 0.92 -3.56 1.02 -0.30 -4.96 118.68 118.91 1sqh s LEU 13 Ca 0.78 1.86 -0.13 0.00 0.02 0.00 0.00 54.13 56.66 1sqh s LEU 13 Cb -0.43 -4.02 0.15 0.00 0.02 0.00 0.00 46.19 41.91 1sqh s LEU 13 CO 0.34 -0.11 1.17 -0.94 0.02 0.00 0.00 176.35 176.84 1sqh s SER 14 N -1.60 3.45 0.28 2.29 1.04 -1.26 -4.77 113.70 113.13 1sqh s SER 14 Ca 0.51 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 1sqh s SER 14 Cb -0.19 -1.26 0.38 0.00 0.10 0.00 0.00 66.02 65.04 1sqh s SER 14 CO 0.24 -2.57 1.88 0.44 0.98 0.00 0.00 173.24 174.21 1sqh h ASP 15 N -1.51 0.91 -0.56 7.02 5.19 -1.99 -1.52 116.42 123.95 1sqh h ASP 15 Ca -0.48 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 55.79 1sqh h ASP 15 Cb 1.32 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1sqh h ASP 15 CO 0.57 0.77 0.21 -1.28 -3.12 0.00 0.00 179.24 176.39 1sqh h SER 16 N 1.00 0.82 -0.04 6.45 0.87 -2.00 -1.66 113.55 118.99 1sqh h SER 16 Ca 0.24 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 1sqh h SER 16 Cb 0.10 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1sqh h SER 16 CO -0.03 0.76 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.09 1sqh h GLU 17 N 0.87 0.65 -0.37 2.24 5.08 -1.76 -2.43 114.58 118.87 1sqh h GLU 17 Ca 0.20 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1sqh h GLU 17 Cb 0.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1sqh h GLU 17 CO -0.01 1.06 0.16 0.28 -1.00 0.00 0.00 179.01 179.50 1sqh h VAL 18 N 0.48 1.18 -0.83 3.13 2.07 -1.00 0.17 116.25 121.46 1sqh h VAL 18 Ca -0.00 -0.54 0.12 0.00 0.82 0.00 0.00 66.70 67.09 1sqh h VAL 18 Cb 1.18 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1sqh h VAL 18 CO 0.12 0.20 0.45 0.44 0.02 0.00 0.00 177.57 178.80 1sqh h ASP 19 N 0.45 0.60 -0.58 0.57 3.45 -1.20 0.35 116.42 120.06 1sqh h ASP 19 Ca 0.12 0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 1sqh h ASP 19 Cb 0.16 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1sqh h ASP 19 CO -0.01 0.30 -0.04 -0.33 -1.57 0.00 0.00 179.24 177.59 1sqh h GLU 20 N 0.70 1.06 -0.92 3.56 5.08 -0.84 -2.05 114.58 121.17 1sqh h GLU 20 Ca 0.42 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1sqh h GLU 20 Cb 0.49 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1sqh h GLU 20 CO -0.30 1.05 0.61 1.25 -1.00 0.00 0.00 179.01 180.62 1sqh h LEU 21 N 0.96 1.03 -0.33 1.33 5.85 0.16 -0.72 115.31 123.60 1sqh h LEU 21 Ca 0.16 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1sqh h LEU 21 Cb 0.60 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1sqh h LEU 21 CO 0.04 0.74 0.19 0.25 -0.34 0.00 0.00 178.44 179.32 1sqh h LEU 22 N 1.22 0.40 -0.79 2.25 5.85 0.04 -2.39 115.31 121.88 1sqh h LEU 22 Ca 0.35 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.90 1sqh h LEU 22 Cb -0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1sqh h LEU 22 CO -0.09 0.34 -0.48 -0.78 -0.34 0.00 0.00 178.44 177.09 1sqh h ASP 23 N 0.42 0.00 -0.32 1.25 3.58 -1.03 -1.33 116.42 118.98 1sqh h ASP 23 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1sqh h ASP 23 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1sqh h ASP 23 CO -0.02 0.48 0.14 -0.07 -2.88 0.00 0.00 179.24 176.89 1sqh h LEU 24 N 0.00 0.43 -0.61 2.28 3.38 -0.90 0.15 115.31 120.04 1sqh h LEU 24 Ca -0.00 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1sqh h LEU 24 Cb 1.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1sqh h LEU 24 CO 0.06 0.46 -0.31 1.88 0.09 0.00 0.00 178.44 180.62 1sqh h TYR 25 N 0.38 0.88 -0.31 1.13 -1.99 -1.32 0.71 116.97 116.44 1sqh h TYR 25 Ca 0.11 -0.23 0.04 0.00 2.00 0.00 0.00 58.73 60.64 1sqh h TYR 25 Cb 0.15 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 1sqh h TYR 25 CO -0.01 0.97 0.10 -0.22 -0.00 0.00 0.00 178.16 179.00 1sqh h LYS 26 N 0.64 0.23 0.14 4.88 3.64 -0.75 0.18 116.57 125.52 1sqh h LYS 26 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1sqh h LYS 26 Cb 0.84 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1sqh h LYS 26 CO 0.07 0.15 -0.07 0.28 -2.27 0.00 0.00 179.45 177.62 1sqh h VAL 27 N 0.24 1.02 -0.45 2.00 2.07 -0.56 -1.07 116.25 119.49 1sqh h VAL 27 Ca 0.14 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1sqh h VAL 27 Cb 0.12 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1sqh h VAL 27 CO -0.15 0.19 0.25 0.50 0.02 0.00 0.00 177.57 178.38 1sqh h LYS 28 N -0.60 0.48 0.00 1.57 1.63 -0.72 -3.36 116.57 115.58 1sqh h LYS 28 Ca -0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1sqh h LYS 28 Cb 0.46 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1sqh h LYS 28 CO 0.03 0.32 -0.61 1.19 -3.45 0.00 0.00 179.45 176.93 1sqh n PHE 29 N -4.87 0.00 0.00 1.91 3.72 0.04 -5.08 117.46 113.18 1sqh n PHE 29 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1sqh n PHE 29 Cb 0.09 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1sqh n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqh n GLY 30 N 1.58 0.51 0.06 1.37 0.00 -0.41 -4.54 105.19 103.76 1sqh n GLY 30 Ca 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.24 1sqh n GLY 30 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sqh n ILE 31 N 0.72 1.61 1.06 -0.61 0.13 -1.26 -2.46 119.36 118.56 1sqh n ILE 31 Ca 0.00 0.57 0.11 0.00 -1.10 0.00 0.00 62.75 62.34 1sqh n ILE 31 Cb 0.00 -1.57 0.10 0.00 -0.84 0.00 0.00 39.64 37.33 1sqh n ILE 31 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1sqh n ARG 32 N -1.78 0.77 -2.21 9.51 1.74 -1.26 -4.37 116.66 119.05 1sqh n ARG 32 Ca -0.00 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 1sqh n ARG 32 Cb 0.02 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1sqh n ARG 32 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sqh s ASN 33 N -2.63 6.86 0.45 0.55 3.84 -1.03 -4.95 114.94 118.04 1sqh s ASN 33 Ca 0.17 2.31 0.19 0.00 0.21 0.00 0.00 52.86 55.74 1sqh s ASN 33 Cb 0.18 -2.59 1.09 0.00 -0.55 0.00 0.00 41.25 39.38 1sqh s ASN 33 CO 0.63 -0.61 1.97 -0.26 -2.79 0.00 0.00 177.10 176.04 1sqh h PHE 34 N 6.55 0.00 -0.00 0.43 0.04 -1.92 -0.93 116.94 121.11 1sqh h PHE 34 Ca -0.42 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.13 1sqh h PHE 34 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1sqh h PHE 34 CO 0.65 0.21 -0.90 0.45 -0.60 0.00 0.00 178.31 178.12 1sqh h HIS 35 N 0.00 0.48 -0.48 -0.55 3.86 -1.98 -0.85 115.15 115.64 1sqh h HIS 35 Ca -0.00 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 58.91 1sqh h HIS 35 Cb 0.44 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1sqh h HIS 35 CO 0.00 1.07 0.14 -0.92 0.86 0.00 0.00 177.93 179.08 1sqh h TYR 36 N 0.19 0.78 -0.77 2.45 3.20 -1.78 -0.80 116.97 120.25 1sqh h TYR 36 Ca -0.06 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 1sqh h TYR 36 Cb 1.53 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1sqh h TYR 36 CO 0.05 0.69 0.46 -0.07 -1.64 0.00 0.00 178.16 177.65 1sqh h LEU 37 N 0.64 0.93 -0.19 2.82 3.38 -1.01 0.78 115.31 122.66 1sqh h LEU 37 Ca 0.15 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sqh h LEU 37 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sqh h LEU 37 CO -0.00 0.72 0.10 0.25 0.09 0.00 0.00 178.44 179.60 1sqh h LEU 38 N 1.05 0.23 -0.26 1.67 5.85 -0.93 0.53 115.31 123.46 1sqh h LEU 38 Ca 0.27 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1sqh h LEU 38 Cb -0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1sqh h LEU 38 CO -0.05 0.24 0.05 -0.07 -0.34 0.00 0.00 178.44 178.27 1sqh h LEU 39 N 0.20 0.40 -0.25 2.25 4.07 -0.66 -0.56 115.31 120.76 1sqh h LEU 39 Ca 0.07 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 57.81 1sqh h LEU 39 Cb 0.06 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1sqh h LEU 39 CO -0.01 0.55 0.05 0.22 -1.08 0.00 0.00 178.44 178.17 1sqh h TYR 40 N 0.23 0.08 -0.01 1.13 3.20 0.77 -2.07 116.97 120.30 1sqh h TYR 40 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1sqh h TYR 40 Cb 0.32 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1sqh h TYR 40 CO 0.02 0.02 0.01 -0.97 -1.64 0.00 0.00 178.16 175.60 1sqh h ASN 41 N 0.14 0.01 -0.16 -2.11 -1.24 0.31 -1.47 115.58 111.06 1sqh h ASN 41 Ca 0.12 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.14 1sqh h ASN 41 Cb 0.12 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 1sqh h ASN 41 CO -0.16 0.02 -0.02 -0.61 -1.29 0.00 0.00 177.43 175.38 1sqh h GLN 42 N 0.00 0.03 -0.07 6.67 5.75 -0.97 -1.13 115.11 125.39 1sqh h GLN 42 Ca 0.00 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1sqh h GLN 42 Cb 0.01 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1sqh h GLN 42 CO -0.00 0.02 -0.08 0.00 -2.65 0.00 0.00 178.83 176.12 1sqh h ARG 43 N 0.03 0.10 -0.20 1.69 2.47 -1.32 0.20 114.38 117.35 1sqh h ARG 43 Ca 0.07 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1sqh h ARG 43 Cb 0.10 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1sqh h ARG 43 CO -0.14 0.19 0.08 -0.22 0.56 0.00 0.00 179.97 180.44 1sqh h LYS 44 N 0.10 0.30 -0.47 0.04 3.64 -0.18 -1.77 116.57 118.24 1sqh h LYS 44 Ca 0.02 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1sqh h LYS 44 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1sqh h LYS 44 CO 0.01 0.37 0.17 -1.49 -2.27 0.00 0.00 179.45 176.24 1sqh h TRP 45 N 0.17 0.72 -0.50 1.91 6.55 -0.38 -2.40 115.95 122.02 1sqh h TRP 45 Ca 0.07 -0.06 0.10 0.00 0.95 0.00 0.00 58.89 59.95 1sqh h TRP 45 Cb 0.18 -0.21 -0.09 0.00 -0.86 0.00 0.00 29.16 28.18 1sqh h TRP 45 CO -0.01 0.62 -0.03 -0.44 -1.05 0.00 0.00 178.44 177.53 1sqh h ASP 46 N 0.61 -0.28 0.07 -3.49 3.32 -0.45 0.18 116.42 116.37 1sqh h ASP 46 Ca 0.15 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.34 1sqh h ASP 46 Cb 0.22 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1sqh h ASP 46 CO -0.01 -0.10 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.21 1sqh h ARG 47 N 0.08 -0.20 0.74 3.56 9.65 -1.09 -1.68 114.38 125.44 1sqh h ARG 47 Ca 0.25 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.11 1sqh h ARG 47 Cb 0.39 0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1sqh h ARG 47 CO -0.45 -0.14 -0.36 1.96 2.80 0.00 0.00 179.97 183.79 1sqh h GLN 48 N -0.21 -0.96 -0.53 0.20 4.20 -0.84 -1.76 115.11 115.20 1sqh h GLN 48 Ca 0.02 0.07 0.15 0.00 0.06 0.00 0.00 58.65 58.95 1sqh h GLN 48 Cb 0.23 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1sqh h GLN 48 CO -0.06 -0.64 0.41 -0.07 -0.67 0.00 0.00 178.83 177.80 1sqh h LEU 49 N -1.00 0.00 0.43 1.46 3.38 -0.71 0.26 115.31 119.14 1sqh h LEU 49 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1sqh h LEU 49 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sqh h LEU 49 CO 0.17 0.00 -0.21 -1.28 0.09 0.00 0.00 178.44 177.21 1sqh h SER 50 N 0.00 -0.49 -0.07 -0.43 0.87 -0.90 -2.38 113.55 110.15 1sqh h SER 50 Ca 0.25 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1sqh h SER 50 Cb 1.07 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1sqh h SER 50 CO -0.00 -0.07 0.10 -0.33 -0.53 0.00 0.00 176.83 175.99 1sqh h GLU 51 N -1.03 0.00 -0.57 2.24 5.08 -0.43 0.40 114.58 120.27 1sqh h GLU 51 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sqh h GLU 51 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sqh h GLU 51 CO 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1sqh n ALA 52 N -2.27 2.70 -4.05 3.43 0.00 -0.01 -4.90 120.51 115.40 1sqh n ALA 52 Ca -0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 1sqh n ALA 52 Cb 0.19 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1sqh n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqh n GLN 53 N 0.15 -0.95 -3.58 0.00 0.00 0.14 -4.91 117.38 108.23 1sqh n GLN 53 Ca 0.07 0.08 -0.40 0.00 0.00 0.00 0.00 57.00 56.75 1sqh n GLN 53 Cb 0.36 -3.07 -0.11 0.00 0.00 0.00 0.00 30.24 27.43 1sqh n GLN 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1sqh s ILE 54 N -4.17 4.90 0.23 -0.39 1.01 -0.90 -5.06 121.20 116.81 1sqh s ILE 54 Ca 0.01 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 1sqh s ILE 54 Cb -0.00 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 1sqh s ILE 54 CO 0.85 -0.08 1.28 -0.81 0.00 0.00 0.00 174.94 176.18 1sqh n PRO 55 N 5.05 1.68 -0.88 2.79 -0.04 -1.26 -4.78 135.00 137.56 1sqh n PRO 55 Ca -0.13 0.60 -0.32 0.00 -0.04 0.00 0.00 63.50 63.61 1sqh n PRO 55 Cb 0.48 -2.17 0.15 0.00 -0.04 0.00 0.00 33.50 31.92 1sqh n PRO 55 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sqh s ARG 56 N -0.58 1.31 0.00 0.54 0.52 -1.26 -1.73 118.95 117.76 1sqh s ARG 56 Ca 0.68 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 1sqh s ARG 56 Cb -0.72 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1sqh s ARG 56 CO 0.52 -2.42 0.00 0.09 0.02 0.00 0.00 175.30 173.51 1sqh n ASN 57 N -3.86 -1.07 -4.65 0.23 4.13 -1.26 -4.91 115.26 103.87 1sqh n ASN 57 Ca 0.12 0.00 -0.49 0.00 1.68 0.00 0.00 54.58 55.90 1sqh n ASN 57 Cb 0.52 -1.47 -0.05 0.00 -1.54 0.00 0.00 39.78 37.23 1sqh n ASN 57 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1sqh n ASP 58 N -0.12 3.25 -0.33 6.41 2.03 -0.70 -4.84 116.55 122.24 1sqh n ASP 58 Ca 0.00 0.84 0.16 0.00 0.52 0.00 0.00 54.79 56.31 1sqh n ASP 58 Cb 0.06 -1.37 0.38 0.00 -0.72 0.00 0.00 41.12 39.48 1sqh n ASP 58 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1sqh h LEU 59 N 10.04 0.68 -2.30 -2.67 6.46 -1.91 -0.94 115.31 124.68 1sqh h LEU 59 Ca -0.45 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1sqh h LEU 59 Cb 1.28 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1sqh h LEU 59 CO 0.96 0.21 0.00 -0.46 -0.62 0.00 0.00 178.44 178.53 1sqh n ASN 60 N -4.73 3.47 0.00 1.25 0.23 -1.26 -3.72 115.26 110.49 1sqh n ASN 60 Ca 0.24 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 1sqh n ASN 60 Cb 0.66 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1sqh n ASN 60 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1sqh n HIS 61 N 0.50 0.00 0.16 -2.53 8.25 -0.70 -4.75 115.22 116.15 1sqh n HIS 61 Ca 0.16 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.77 1sqh n HIS 61 Cb 0.70 0.00 0.71 0.00 1.12 0.00 0.00 29.99 32.52 1sqh n HIS 61 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1sqh h ILE 62 N 1.23 0.77 0.00 1.59 3.07 -1.29 0.27 117.51 123.15 1sqh h ILE 62 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1sqh h ILE 62 Cb 0.56 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1sqh h ILE 62 CO 0.00 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 177.87 1sqh h SER 63 N 0.00 0.00 -0.62 2.16 4.64 -1.84 -0.10 113.55 117.79 1sqh h SER 63 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1sqh h SER 63 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1sqh h SER 63 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1sqh n LEU 64 N -2.54 4.24 -4.45 5.97 4.32 0.08 -4.92 117.00 119.70 1sqh n LEU 64 Ca -0.01 -2.14 -0.23 0.00 -0.02 0.00 0.00 56.01 53.61 1sqh n LEU 64 Cb 0.11 -0.53 -0.10 0.00 -1.62 0.00 0.00 43.42 41.28 1sqh n LEU 64 CO 0.16 0.79 -0.48 -0.13 -1.22 0.00 0.00 177.39 176.51 1sqh s ARG 65 N -1.66 1.62 -0.06 3.23 1.81 -0.05 -4.74 118.95 119.10 1sqh s ARG 65 Ca 0.47 -1.74 -0.15 0.00 -1.72 0.00 0.00 55.73 52.59 1sqh s ARG 65 Cb 0.29 -1.68 0.03 0.00 -0.45 0.00 0.00 34.95 33.14 1sqh s ARG 65 CO 0.25 0.31 0.35 0.15 -0.68 0.00 0.00 175.30 175.68 1sqh s LYS 66 N -3.51 0.60 -0.25 3.54 1.02 -1.26 -4.52 119.74 115.36 1sqh s LYS 66 Ca 0.29 0.10 -0.00 0.00 0.02 0.00 0.00 55.97 56.38 1sqh s LYS 66 Cb -0.04 0.28 0.04 0.00 -0.52 0.00 0.00 37.83 37.58 1sqh s LYS 66 CO 0.14 -0.14 -0.08 -0.65 -0.92 0.00 0.00 175.35 173.69 1sqh s GLN 67 N -0.74 2.65 0.17 1.68 -0.21 -0.47 -4.94 119.66 117.79 1sqh s GLN 67 Ca -0.08 -1.09 -0.16 0.00 0.02 0.00 0.00 55.36 54.05 1sqh s GLN 67 Cb -0.04 -2.93 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 1sqh s GLN 67 CO 0.03 -0.45 0.60 -0.06 -2.12 0.00 0.00 175.29 173.29 1sqh s PHE 68 N 1.25 3.62 0.14 0.91 0.08 -1.26 -1.13 117.98 121.60 1sqh s PHE 68 Ca -0.02 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1sqh s PHE 68 Cb -0.17 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 1sqh s PHE 68 CO -0.05 0.41 0.03 0.71 -0.10 0.00 0.00 175.22 176.21 1sqh s TYR 69 N -1.47 0.99 0.23 0.36 1.51 0.19 -1.15 117.35 118.01 1sqh s TYR 69 Ca 0.39 -1.13 -0.09 0.00 -1.01 0.00 0.00 57.07 55.23 1sqh s TYR 69 Cb -0.16 -0.57 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1sqh s TYR 69 CO 0.20 -0.38 0.36 -0.08 -1.11 0.00 0.00 175.55 174.54 1sqh s THR 70 N -3.87 0.00 -0.07 -0.71 -1.32 -0.71 -1.60 115.64 107.36 1sqh s THR 70 Ca 0.23 -1.60 -0.30 0.00 -1.21 0.00 0.00 61.69 58.81 1sqh s THR 70 Cb 0.07 -2.29 -0.09 0.00 -1.51 0.00 0.00 72.50 68.69 1sqh s THR 70 CO 0.02 -0.01 2.04 1.57 -2.21 0.00 0.00 174.62 176.03 1sqh n HIS 71 N -0.34 2.29 0.09 9.09 -0.00 -1.26 -0.21 115.22 124.88 1sqh n HIS 71 Ca -0.01 -0.22 0.20 0.00 0.46 0.00 0.00 57.72 58.16 1sqh n HIS 71 Cb 0.63 -2.75 0.72 0.00 -0.12 0.00 0.00 29.99 28.48 1sqh n HIS 71 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1sqh h ARG 72 N 11.69 0.00 -0.23 1.57 2.43 -0.51 0.20 114.38 129.53 1sqh h ARG 72 Ca -0.46 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1sqh h ARG 72 Cb 1.25 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.69 1sqh h ARG 72 CO 0.95 0.00 -0.45 0.54 -1.51 0.00 0.00 179.97 179.50 1sqh n ARG 73 N -3.59 2.03 -4.32 0.20 1.74 -1.26 -4.98 116.66 106.48 1sqh n ARG 73 Ca 0.08 -3.45 -0.17 0.00 -0.77 0.00 0.00 57.85 53.54 1sqh n ARG 73 Cb 0.67 -1.79 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 1sqh n ARG 73 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sqh s GLY 74 N -3.14 1.86 -0.33 -0.13 0.00 0.06 -5.13 107.32 100.51 1sqh s GLY 74 Ca 0.42 -1.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.26 1sqh s GLY 74 CO -0.04 -1.58 0.14 0.21 0.00 0.00 0.00 173.10 171.84 1sqh s ASN 75 N -3.33 5.45 0.32 1.64 3.84 -1.26 -4.79 114.94 116.81 1sqh s ASN 75 Ca 0.37 -0.78 0.22 0.00 0.21 0.00 0.00 52.86 52.87 1sqh s ASN 75 Cb 0.07 -1.96 1.18 0.00 -0.55 0.00 0.00 41.25 39.99 1sqh s ASN 75 CO 0.15 -0.26 1.67 2.22 -2.79 0.00 0.00 177.10 178.09 1sqh n PHE 76 N 4.93 0.75 0.08 0.43 1.16 -1.26 -2.29 117.46 121.26 1sqh n PHE 76 Ca -0.13 0.39 -0.14 0.00 -1.87 0.00 0.00 57.45 55.70 1sqh n PHE 76 Cb 0.47 -1.12 -0.14 0.00 -1.61 0.00 0.00 39.48 37.09 1sqh n PHE 76 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sqh h ARG 77 N 0.00 0.19 -0.57 3.97 3.08 -1.92 -1.45 114.38 117.68 1sqh h ARG 77 Ca 0.00 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 1sqh h ARG 77 Cb 0.01 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1sqh h ARG 77 CO 0.00 1.13 0.03 1.79 -1.07 0.00 0.00 179.97 181.85 1sqh h THR 78 N 0.05 1.26 0.00 2.04 1.35 -1.89 -3.34 112.91 112.38 1sqh h THR 78 Ca -0.12 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1sqh h THR 78 Cb 1.93 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1sqh h THR 78 CO 0.18 0.39 0.00 0.79 -0.25 0.00 0.00 175.52 176.63 1sqh n TRP 79 N -4.27 0.00 -1.63 4.73 5.03 -1.26 -4.98 117.44 115.07 1sqh n TRP 79 Ca 0.02 -0.14 -0.18 0.00 3.03 0.00 0.00 57.50 60.24 1sqh n TRP 79 Cb 0.32 -0.01 -0.07 0.00 -1.03 0.00 0.00 31.31 30.52 1sqh n TRP 79 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1sqh n GLY 80 N -0.14 1.43 3.66 6.99 0.00 -0.55 -1.36 105.19 115.23 1sqh n GLY 80 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1sqh n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqh s THR 81 N -2.69 3.17 0.12 2.61 2.01 -1.24 -4.44 115.64 115.19 1sqh s THR 81 Ca 0.00 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 1sqh s THR 81 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.38 1sqh s THR 81 CO 0.00 -0.02 0.31 -0.72 -0.69 0.00 0.00 174.62 173.50 1sqh s TYR 82 N 4.27 0.02 -0.10 4.92 -0.85 -0.71 -4.59 117.35 120.32 1sqh s TYR 82 Ca 0.84 -0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 56.95 1sqh s TYR 82 Cb -0.40 0.10 0.05 0.00 0.38 0.00 0.00 41.96 42.09 1sqh s TYR 82 CO 0.38 -0.66 0.23 0.08 -1.52 0.00 0.00 175.55 174.06 1sqh s VAL 83 N -3.85 -0.10 0.08 -3.49 1.01 -0.63 -2.53 120.40 110.90 1sqh s VAL 83 Ca 0.06 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1sqh s VAL 83 Cb 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1sqh s VAL 83 CO -0.09 0.07 -0.11 -0.94 0.00 0.00 0.00 175.10 174.03 1sqh s SER 84 N 1.44 4.34 -0.09 3.32 1.04 0.05 0.54 113.70 124.35 1sqh s SER 84 Ca -0.07 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1sqh s SER 84 Cb -0.11 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.19 1sqh s SER 84 CO -0.08 0.20 -0.17 -0.76 0.98 0.00 0.00 173.24 173.41 1sqh s LEU 85 N -2.02 1.83 0.08 2.42 1.43 -0.28 -2.55 118.68 119.59 1sqh s LEU 85 Ca 0.20 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1sqh s LEU 85 Cb -0.11 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1sqh s LEU 85 CO 0.12 0.07 -0.23 -2.28 0.23 0.00 0.00 176.35 174.25 1sqh s HIS 86 N 0.69 2.00 -0.04 0.29 5.65 -0.20 -1.37 115.29 122.30 1sqh s HIS 86 Ca -0.13 -0.40 0.02 0.00 0.25 0.00 0.00 55.06 54.81 1sqh s HIS 86 Cb -0.16 -1.13 0.01 0.00 -1.18 0.00 0.00 32.58 30.12 1sqh s HIS 86 CO 0.03 0.19 -0.10 0.50 -0.65 0.00 0.00 174.74 174.72 1sqh s ARG 87 N -1.64 1.26 0.00 2.88 6.06 -1.26 -1.12 118.95 125.13 1sqh s ARG 87 Ca 0.09 -0.33 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 1sqh s ARG 87 Cb -0.10 -1.12 0.00 0.00 0.06 0.00 0.00 34.95 33.80 1sqh s ARG 87 CO 0.04 0.06 0.00 -3.47 -2.50 0.00 0.00 175.30 169.43 1sqh n ASP 88 N 3.60 0.00 -0.11 -2.12 -0.08 -1.26 -3.35 116.55 113.23 1sqh n ASP 88 Ca -0.21 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.83 1sqh n ASP 88 Cb 0.53 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 1sqh n ASP 88 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1sqh n ILE 89 N 0.00 1.54 -3.97 5.18 5.41 -1.26 -5.00 119.36 121.26 1sqh n ILE 89 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1sqh n ILE 89 Cb 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1sqh n ILE 89 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1sqh n VAL 90 N -4.39 0.00 -3.74 1.39 0.24 -1.26 -5.13 118.33 105.44 1sqh n VAL 90 Ca -0.37 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.57 1sqh n VAL 90 Cb 0.73 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 1sqh n VAL 90 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1sqh s GLN 91 N -1.90 3.92 -0.10 7.34 0.74 -1.26 -4.45 119.66 123.95 1sqh s GLN 91 Ca 0.00 -0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.33 1sqh s GLN 91 Cb 0.00 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 1sqh s GLN 91 CO 0.00 0.49 -0.14 -1.12 -0.55 0.00 0.00 175.29 173.96 1sqh s SER 92 N -0.21 3.95 -0.05 6.67 0.01 -0.27 0.91 113.70 124.71 1sqh s SER 92 Ca 0.13 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.15 1sqh s SER 92 Cb -0.12 -1.30 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 1sqh s SER 92 CO 0.02 0.23 -0.25 -0.69 0.41 0.00 0.00 173.24 172.97 1sqh s VAL 93 N -0.06 2.01 0.06 3.43 1.01 0.11 -1.03 120.40 125.93 1sqh s VAL 93 Ca -0.03 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1sqh s VAL 93 Cb -0.14 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1sqh s VAL 93 CO 0.04 0.56 -0.17 -0.55 0.00 0.00 0.00 175.10 174.98 1sqh s SER 94 N -0.21 2.01 -0.02 3.32 0.15 -1.06 -0.71 113.70 117.18 1sqh s SER 94 Ca -0.02 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 55.78 1sqh s SER 94 Cb -0.13 -0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 1sqh s SER 94 CO 0.03 0.03 0.80 0.72 1.20 0.00 0.00 173.24 176.02 1sqh s PHE 95 N -1.03 -0.46 0.11 3.44 -0.12 -1.26 -0.77 117.98 117.89 1sqh s PHE 95 Ca 0.03 0.55 -0.26 0.00 -0.05 0.00 0.00 56.93 57.20 1sqh s PHE 95 Cb -0.09 0.49 0.07 0.00 -0.63 0.00 0.00 43.02 42.86 1sqh s PHE 95 CO 0.02 -0.58 0.89 0.12 -0.05 0.00 0.00 175.22 175.62 1sqh s PHE 96 N -2.34 -0.24 -0.25 3.49 5.36 -1.05 -4.82 117.98 118.13 1sqh s PHE 96 Ca -0.01 -0.02 -0.29 0.00 -0.96 0.00 0.00 56.93 55.66 1sqh s PHE 96 Cb -0.01 0.61 0.17 0.00 -0.34 0.00 0.00 43.02 43.45 1sqh s PHE 96 CO -0.03 -0.77 1.23 0.45 -1.46 0.00 0.00 175.22 174.64 1sqh s SER 97 N -2.77 -0.18 -0.25 6.13 0.15 -1.26 -1.73 113.70 113.79 1sqh s SER 97 Ca 0.09 0.23 0.11 0.00 0.70 0.00 0.00 55.95 57.08 1sqh s SER 97 Cb -0.02 0.19 0.48 0.00 -1.71 0.00 0.00 66.02 64.97 1sqh s SER 97 CO -0.02 -0.14 1.40 -2.67 1.20 0.00 0.00 173.24 173.01 1sqh n TRP 98 N 0.87 0.85 -1.77 3.44 2.14 -0.46 -4.99 117.44 117.52 1sqh n TRP 98 Ca -0.06 -1.40 -0.42 0.00 2.07 0.00 0.00 57.50 57.70 1sqh n TRP 98 Cb 0.58 -0.40 -0.03 0.00 -0.81 0.00 0.00 31.31 30.65 1sqh n TRP 98 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1sqh s GLN 99 N -3.13 4.14 0.23 -2.67 0.74 -1.26 -4.86 119.66 112.85 1sqh s GLN 99 Ca 0.42 2.48 0.06 0.00 0.05 0.00 0.00 55.36 58.38 1sqh s GLN 99 Cb 0.38 -4.11 0.35 0.00 1.10 0.00 0.00 33.01 30.72 1sqh s GLN 99 CO 0.01 -0.93 1.00 -2.30 -0.55 0.00 0.00 175.29 172.52 1sqh n PRO 100 N 7.43 0.05 -3.39 1.67 -0.02 -1.26 -3.38 135.00 136.10 1sqh n PRO 100 Ca 0.19 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 1sqh n PRO 100 Cb 0.42 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1sqh n PRO 100 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sqh s ASP 101 N -2.91 1.87 0.00 2.55 -1.08 -1.26 -4.88 116.67 110.95 1sqh s ASP 101 Ca -0.01 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 1sqh s ASP 101 Cb 0.02 0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 1sqh s ASP 101 CO 0.06 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1sqh n GLY 102 N 4.01 2.04 3.77 2.66 0.00 -1.26 -4.13 105.19 112.28 1sqh n GLY 102 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1sqh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqh n ALA 103 N 0.43 -2.50 -0.07 4.61 0.00 -1.22 -4.78 120.51 116.97 1sqh n ALA 103 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 1sqh n ALA 103 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 19.45 15.81 1sqh n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqh h ALA 104 N 0.95 -0.01 -0.77 0.00 0.00 -1.89 -2.29 119.26 115.25 1sqh h ALA 104 Ca -0.67 0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.51 1sqh h ALA 104 Cb 1.37 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.50 1sqh h ALA 104 CO 0.50 -0.60 0.24 1.49 0.00 0.00 0.00 179.25 180.88 1sqh h GLU 105 N -0.18 0.32 0.43 0.00 4.81 -1.96 0.13 114.58 118.13 1sqh h GLU 105 Ca 0.16 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1sqh h GLU 105 Cb 0.42 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1sqh h GLU 105 CO -0.40 0.21 -0.21 1.25 -0.73 0.00 0.00 179.01 179.13 1sqh h LEU 106 N 0.33 -0.49 -1.97 1.64 5.85 -1.78 -2.44 115.31 116.45 1sqh h LEU 106 Ca 0.44 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1sqh h LEU 106 Cb 0.76 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1sqh h LEU 106 CO -0.49 -0.25 -0.11 -0.50 -0.34 0.00 0.00 178.44 176.75 1sqh h TRP 107 N -0.71 0.00 -0.57 1.25 4.06 -1.08 0.14 115.95 119.04 1sqh h TRP 107 Ca -0.06 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.84 1sqh h TRP 107 Cb 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 1sqh h TRP 107 CO -0.02 0.11 0.16 1.49 -3.56 0.00 0.00 178.44 176.62 1sqh h GLU 108 N 0.00 0.90 0.47 0.49 4.81 -0.59 -0.21 114.58 120.45 1sqh h GLU 108 Ca -0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1sqh h GLU 108 Cb 0.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1sqh h GLU 108 CO 0.01 0.82 -0.23 0.00 -0.73 0.00 0.00 179.01 178.89 1sqh h LEU 110 N -0.80 0.50 0.14 0.00 3.38 -0.97 -2.11 115.31 115.46 1sqh h LEU 110 Ca -0.06 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.55 1sqh h LEU 110 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1sqh h LEU 110 CO 0.11 0.47 -1.44 -0.33 0.09 0.00 0.00 178.44 177.34 1sqh h GLU 111 N 0.55 0.30 0.00 1.13 5.08 -1.05 -3.36 114.58 117.23 1sqh h GLU 111 Ca 0.13 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1sqh h GLU 111 Cb 0.14 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sqh h GLU 111 CO -0.01 1.20 -0.52 1.04 -1.00 0.00 0.00 179.01 179.71 1sqh n GLN 112 N -3.52 0.18 -1.75 2.33 6.02 -0.48 -4.94 117.38 115.22 1sqh n GLN 112 Ca -0.14 0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.60 1sqh n GLN 112 Cb 1.05 -1.62 0.04 0.00 1.02 0.00 0.00 30.24 30.73 1sqh n GLN 112 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1sqh s THR 113 N -3.10 4.14 -0.04 5.09 -1.32 -0.80 -4.64 115.64 114.98 1sqh s THR 113 Ca 0.08 0.70 0.05 0.00 -1.21 0.00 0.00 61.69 61.31 1sqh s THR 113 Cb 0.15 -3.59 0.08 0.00 -1.51 0.00 0.00 72.50 67.63 1sqh s THR 113 CO 0.70 -0.91 0.96 0.00 -2.21 0.00 0.00 174.62 173.15 1sqh n GLN 114 N -2.97 0.67 0.03 7.08 6.02 -1.26 -4.73 117.38 122.21 1sqh n GLN 114 Ca 0.07 -1.41 0.12 0.00 -0.01 0.00 0.00 57.00 55.77 1sqh n GLN 114 Cb 0.55 -0.83 0.19 0.00 1.02 0.00 0.00 30.24 31.17 1sqh n GLN 114 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sqh n LEU 115 N -0.45 0.59 -4.76 1.08 4.77 -1.26 -4.86 117.00 112.11 1sqh n LEU 115 Ca 0.04 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 1sqh n LEU 115 Cb 0.60 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1sqh n LEU 115 CO 0.00 0.03 0.13 -0.63 -1.33 0.00 0.00 177.39 175.60 1sqh s ILE 116 N -3.10 5.12 -1.23 -0.08 1.01 -1.26 -5.01 121.20 116.65 1sqh s ILE 116 Ca 0.08 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.54 1sqh s ILE 116 Cb 0.15 -3.77 0.20 0.00 0.01 0.00 0.00 42.46 39.05 1sqh s ILE 116 CO 0.72 0.43 1.85 -0.62 0.00 0.00 0.00 174.94 177.31 1sqh n GLU 117 N 2.96 3.99 -0.09 2.79 1.02 -1.26 -4.78 120.64 125.27 1sqh n GLU 117 Ca -0.10 -3.79 0.20 0.00 -0.02 0.00 0.00 57.16 53.45 1sqh n GLU 117 Cb 0.52 -2.78 0.63 0.00 -0.02 0.00 0.00 31.44 29.79 1sqh n GLU 117 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1sqh h TRP 118 N 5.49 0.17 0.00 -0.32 4.06 -1.95 -1.87 115.95 121.53 1sqh h TRP 118 Ca 0.39 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.34 1sqh h TRP 118 Cb 0.58 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1sqh h TRP 118 CO 1.24 0.06 -0.99 2.41 -3.56 0.00 0.00 178.44 177.60 1sqh n THR 119 N -4.40 0.00 -1.37 1.49 -1.04 -1.26 -4.51 114.28 103.20 1sqh n THR 119 Ca 0.13 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 1sqh n THR 119 Cb 0.64 0.97 0.16 0.00 -1.82 0.00 0.00 70.33 70.28 1sqh n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sqh n GLN 120 N -1.51 2.29 -2.01 -2.82 6.02 -0.72 -1.38 117.38 117.26 1sqh n GLN 120 Ca 0.04 -3.19 -0.07 0.00 -0.01 0.00 0.00 57.00 53.77 1sqh n GLN 120 Cb 0.33 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 29.49 1sqh n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqh n GLY 121 N -1.07 0.19 3.77 1.08 0.00 -1.25 -4.80 105.19 103.10 1sqh n GLY 121 Ca 0.52 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1sqh n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqh s ALA 122 N -2.35 3.33 -0.24 4.61 0.00 -1.14 -4.55 121.76 121.43 1sqh s ALA 122 Ca 0.00 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1sqh s ALA 122 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1sqh s ALA 122 CO 0.00 -1.16 0.07 -1.17 0.00 0.00 0.00 175.76 173.50 1sqh s LEU 123 N -2.56 3.54 -0.43 0.00 2.96 0.26 -2.25 118.68 120.20 1sqh s LEU 123 Ca 0.59 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 54.15 1sqh s LEU 123 Cb -0.45 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1sqh s LEU 123 CO 0.58 0.01 0.65 -0.76 -1.32 0.00 0.00 176.35 175.51 1sqh s LEU 124 N 1.35 4.48 0.08 -0.68 1.02 0.13 0.04 118.68 125.11 1sqh s LEU 124 Ca 0.05 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 1sqh s LEU 124 Cb -0.15 -2.74 -0.05 0.00 0.02 0.00 0.00 46.19 43.27 1sqh s LEU 124 CO 0.04 -0.77 0.29 0.42 0.02 0.00 0.00 176.35 176.34 1sqh s THR 125 N 2.83 5.29 -1.42 5.49 -4.23 0.12 -0.23 115.64 123.48 1sqh s THR 125 Ca 0.23 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.49 1sqh s THR 125 Cb -0.14 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1sqh s THR 125 CO 0.19 0.14 0.28 -0.46 -0.54 0.00 0.00 174.62 174.22 1sqh n ASN 126 N 0.35 -0.98 -4.69 3.99 6.94 -1.21 -4.55 115.26 115.10 1sqh n ASN 126 Ca -0.05 -1.26 -0.41 0.00 -0.02 0.00 0.00 54.58 52.83 1sqh n ASN 126 Cb 0.52 -1.75 -0.04 0.00 -2.36 0.00 0.00 39.78 36.15 1sqh n ASN 126 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sqh s VAL 127 N -4.05 4.89 0.45 3.53 1.01 -0.15 -4.83 120.40 121.25 1sqh s VAL 127 Ca 0.18 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 1sqh s VAL 127 Cb -0.10 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1sqh s VAL 127 CO 0.98 0.10 1.37 -0.62 0.00 0.00 0.00 175.10 176.93 1sqh s ASP 128 N 1.03 5.95 0.59 3.32 2.15 -1.26 -1.27 116.67 127.17 1sqh s ASP 128 Ca 0.44 2.79 0.28 0.00 0.43 0.00 0.00 52.55 56.50 1sqh s ASP 128 Cb -0.18 -2.64 1.62 0.00 -0.30 0.00 0.00 42.92 41.41 1sqh s ASP 128 CO 0.19 -1.11 2.07 -0.07 -0.17 0.00 0.00 175.17 176.08 1sqh h LEU 129 N 2.32 0.00 -0.04 -1.34 3.38 -1.96 -0.33 115.31 117.34 1sqh h LEU 129 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1sqh h LEU 129 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1sqh h LEU 129 CO 0.61 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.71 1sqh n GLY 130 N -1.42 -1.25 0.00 0.83 0.00 -1.26 -3.42 105.19 98.67 1sqh n GLY 130 Ca 0.03 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1sqh n GLY 130 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqh n PHE 131 N -1.26 0.00 0.11 1.61 3.72 -0.16 -4.78 117.46 116.70 1sqh n PHE 131 Ca 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 1sqh n PHE 131 Cb 0.26 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 1sqh n PHE 131 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sqh h ASN 133 N -0.58 -0.35 -0.81 0.00 -1.24 -1.86 -1.97 115.58 108.76 1sqh h ASN 133 Ca 0.03 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.06 1sqh h ASN 133 Cb 0.61 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.71 1sqh h ASN 133 CO -0.21 -0.25 0.54 -0.09 -1.29 0.00 0.00 177.43 176.13 1sqh h ARG 134 N -0.42 1.05 0.00 6.67 2.43 -1.87 -1.85 114.38 120.39 1sqh h ARG 134 Ca -0.04 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1sqh h ARG 134 Cb 0.32 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1sqh h ARG 134 CO 0.07 0.70 -0.28 -0.24 -1.51 0.00 0.00 179.97 178.70 1sqh h VAL 135 N 1.08 1.12 -0.10 0.20 3.04 -1.04 -1.52 116.25 119.03 1sqh h VAL 135 Ca 0.30 -1.00 -0.18 0.00 -1.01 0.00 0.00 66.70 64.81 1sqh h VAL 135 Cb -0.10 1.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1sqh h VAL 135 CO -0.08 0.28 -0.70 0.11 -1.01 0.00 0.00 177.57 176.17 1sqh h LYS 136 N 0.00 0.45 -0.43 4.17 1.57 -0.62 -1.44 116.57 120.27 1sqh h LYS 136 Ca -0.00 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1sqh h LYS 136 Cb 0.53 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1sqh h LYS 136 CO 0.04 0.99 0.15 0.93 -0.57 0.00 0.00 179.45 180.98 1sqh h GLU 137 N 0.32 0.66 -0.21 3.15 5.08 -0.78 -2.07 114.58 120.73 1sqh h GLU 137 Ca -0.03 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1sqh h GLU 137 Cb 1.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1sqh h GLU 137 CO 0.12 0.64 0.09 1.25 -1.00 0.00 0.00 179.01 180.11 1sqh h LEU 138 N 0.56 0.12 -0.82 1.33 5.85 -1.20 0.80 115.31 121.95 1sqh h LEU 138 Ca 0.14 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1sqh h LEU 138 Cb 0.24 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1sqh h LEU 138 CO -0.01 0.10 0.41 0.00 -0.34 0.00 0.00 178.44 178.60 1sqh h ALA 139 N 1.12 1.22 -0.40 1.25 0.00 -0.95 -0.50 119.26 121.01 1sqh h ALA 139 Ca 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1sqh h ALA 139 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sqh h ALA 139 CO -0.08 -0.10 -0.19 0.28 0.00 0.00 0.00 179.25 179.17 1sqh h VAL 140 N 0.60 1.28 0.00 0.00 2.07 -0.71 -1.22 116.25 118.27 1sqh h VAL 140 Ca 0.44 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1sqh h VAL 140 Cb 0.61 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1sqh h VAL 140 CO -0.35 0.44 0.00 -1.54 0.02 0.00 0.00 177.57 176.14 1sqh n SER 141 N -4.24 0.00 -0.62 0.57 3.41 0.21 -1.37 113.62 111.59 1sqh n SER 141 Ca -0.02 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.15 1sqh n SER 141 Cb 0.42 -0.50 0.16 0.00 -0.26 0.00 0.00 64.21 64.03 1sqh n SER 141 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sqh n ARG 142 N -1.50 2.86 0.00 4.33 5.12 -0.65 -4.98 116.66 121.84 1sqh n ARG 142 Ca 0.01 -2.17 0.00 0.00 -1.93 0.00 0.00 57.85 53.77 1sqh n ARG 142 Cb 0.07 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1sqh n ARG 142 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sqh n GLY 143 N 0.18 0.73 3.72 -0.13 0.00 -0.47 -4.71 105.19 104.50 1sqh n GLY 143 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sqh n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqh s VAL 144 N -2.00 2.96 -0.52 1.61 1.01 -0.51 -4.89 120.40 118.07 1sqh s VAL 144 Ca 0.00 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.78 1sqh s VAL 144 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1sqh s VAL 144 CO 0.00 0.06 0.44 0.35 0.00 0.00 0.00 175.10 175.95 1sqh n THR 145 N 3.85 0.00 -3.68 3.92 -2.24 -1.26 -4.38 114.28 110.49 1sqh n THR 145 Ca 0.12 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1sqh n THR 145 Cb 0.40 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.55 1sqh n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqh s ALA 146 N -1.87 -1.31 0.05 6.98 0.00 -1.26 -5.12 121.76 119.23 1sqh s ALA 146 Ca 0.04 1.81 0.07 0.00 0.00 0.00 0.00 51.96 53.88 1sqh s ALA 146 Cb 0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1sqh s ALA 146 CO 0.39 -0.33 -0.20 0.42 0.00 0.00 0.00 175.76 176.04 1sqh s ILE 147 N 1.54 1.63 -0.52 0.00 1.01 -1.26 -1.89 121.20 121.72 1sqh s ILE 147 Ca -0.09 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.35 1sqh s ILE 147 Cb -0.08 -1.43 0.14 0.00 0.01 0.00 0.00 42.46 41.10 1sqh s ILE 147 CO -0.15 0.15 0.29 -1.10 0.00 0.00 0.00 174.94 174.12 1sqh s GLN 148 N -1.29 1.79 0.26 2.79 -0.21 0.22 -4.99 119.66 118.23 1sqh s GLN 148 Ca 0.07 -2.51 -0.04 0.00 0.02 0.00 0.00 55.36 52.90 1sqh s GLN 148 Cb -0.09 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 30.91 1sqh s GLN 148 CO 0.02 -1.16 0.51 -1.25 -2.12 0.00 0.00 175.29 171.29 1sqh s PRO 149 N -0.23 3.61 -0.13 2.91 0.04 -1.26 -1.89 135.00 138.05 1sqh s PRO 149 Ca 0.19 -0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 1sqh s PRO 149 Cb -0.22 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.66 1sqh s PRO 149 CO -0.03 0.27 0.34 -0.98 0.04 0.00 0.00 177.00 176.65 1sqh s ARG 150 N -3.43 0.39 0.03 4.56 1.70 -0.81 -4.99 118.95 116.40 1sqh s ARG 150 Ca 0.43 0.50 -0.25 0.00 -0.47 0.00 0.00 55.73 55.94 1sqh s ARG 150 Cb -0.11 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.38 1sqh s ARG 150 CO 0.29 -0.06 0.77 -0.65 -1.08 0.00 0.00 175.30 174.57 1sqh s GLN 151 N 0.33 4.50 -0.00 3.89 -0.21 -1.26 -1.60 119.66 125.31 1sqh s GLN 151 Ca -0.01 1.07 0.06 0.00 0.02 0.00 0.00 55.36 56.50 1sqh s GLN 151 Cb -0.03 -3.38 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 1sqh s GLN 151 CO -0.01 0.24 -0.19 0.00 -2.12 0.00 0.00 175.29 173.21 1sqh s PHE 153 N -0.52 3.53 0.60 0.00 0.08 0.66 -1.62 117.98 120.72 1sqh s PHE 153 Ca 0.07 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.83 1sqh s PHE 153 Cb -0.08 -2.31 0.07 0.00 -0.57 0.00 0.00 43.02 40.13 1sqh s PHE 153 CO -0.00 0.36 0.84 0.20 -0.10 0.00 0.00 175.22 176.52 1sqh s GLY 154 N 0.04 1.80 0.00 4.36 0.00 0.85 -2.28 107.32 112.10 1sqh s GLY 154 Ca 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1sqh s GLY 154 CO 0.06 -1.15 0.00 -0.62 0.00 0.00 0.00 173.10 171.39 1sqh n VAL 156 N -2.48 0.00 -3.93 1.40 0.31 0.15 -2.43 118.33 111.35 1sqh n VAL 156 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 1sqh n VAL 156 Cb 0.60 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.36 1sqh n VAL 156 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sqh s LEU 157 N 0.00 0.94 0.85 7.52 2.96 -0.08 -0.81 118.68 130.06 1sqh s LEU 157 Ca 0.00 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 1sqh s LEU 157 Cb 0.00 -0.38 0.09 0.00 0.50 0.00 0.00 46.19 46.40 1sqh s LEU 157 CO 0.00 -0.13 1.05 -1.54 -1.32 0.00 0.00 176.35 174.41 1sqh n SER 158 N 4.57 0.33 -0.06 3.68 3.41 -1.26 -0.89 113.62 123.39 1sqh n SER 158 Ca -0.17 0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1sqh n SER 158 Cb 0.50 -1.45 -0.05 0.00 -0.26 0.00 0.00 64.21 62.96 1sqh n SER 158 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sqh h HIS 159 N -1.24 0.34 -0.51 7.33 2.76 -1.93 -0.75 115.15 121.15 1sqh h HIS 159 Ca -0.45 -0.04 0.09 0.00 -2.20 0.00 0.00 60.37 57.77 1sqh h HIS 159 Cb 1.29 -0.09 -0.08 0.00 1.55 0.00 0.00 27.41 30.08 1sqh h HIS 159 CO 0.46 0.45 0.06 0.93 -1.30 0.00 0.00 177.93 178.52 1sqh h GLU 160 N 0.13 0.18 -0.39 5.26 3.07 -1.91 0.93 114.58 121.85 1sqh h GLU 160 Ca 0.06 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1sqh h GLU 160 Cb 0.28 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1sqh h GLU 160 CO 0.00 0.12 0.15 -0.44 -1.40 0.00 0.00 179.01 177.44 1sqh h ASP 161 N 0.18 0.54 -0.72 1.42 3.32 -1.88 -1.60 116.42 117.68 1sqh h ASP 161 Ca 0.26 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1sqh h ASP 161 Cb 0.37 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1sqh h ASP 161 CO -0.38 0.56 0.31 0.00 -1.72 0.00 0.00 179.24 178.01 1sqh h ALA 162 N 1.00 0.93 -0.76 3.45 0.00 -0.03 -0.71 119.26 123.14 1sqh h ALA 162 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1sqh h ALA 162 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1sqh h ALA 162 CO -0.01 0.53 0.50 0.35 0.00 0.00 0.00 179.25 180.62 1sqh h PHE 163 N 1.02 0.95 -0.65 0.00 3.04 0.12 -2.72 116.94 118.70 1sqh h PHE 163 Ca 0.24 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1sqh h PHE 163 Cb 0.17 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.36 1sqh h PHE 163 CO 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 178.31 176.90 1sqh s ALA 165 N -2.03 2.51 0.40 0.00 0.00 -0.29 -5.03 121.76 117.32 1sqh s ALA 165 Ca 0.53 0.97 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1sqh s ALA 165 Cb 0.35 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1sqh s ALA 165 CO 0.23 -1.22 0.64 0.15 0.00 0.00 0.00 175.76 175.56 1sqh s LYS 166 N -3.42 3.50 -0.03 0.00 1.02 -1.26 -4.97 119.74 114.57 1sqh s LYS 166 Ca 0.77 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1sqh s LYS 166 Cb -0.30 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1sqh s LYS 166 CO 0.34 0.01 0.00 0.54 -0.92 0.00 0.00 175.35 175.32 1sqh s VAL 167 N -2.49 0.19 1.04 3.17 0.11 -1.26 -4.82 120.40 116.35 1sqh s VAL 167 Ca 0.43 0.10 -0.13 0.00 -2.93 0.00 0.00 61.98 59.45 1sqh s VAL 167 Cb -0.10 -0.30 0.15 0.00 -1.53 0.00 0.00 36.38 34.61 1sqh s VAL 167 CO 0.39 0.16 0.70 -2.65 -3.33 0.00 0.00 175.10 170.37 1sqh n PRO 168 N 4.30 -1.25 -3.35 1.54 -0.02 -1.26 -5.00 135.00 129.97 1sqh n PRO 168 Ca -0.23 -0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 60.54 1sqh n PRO 168 Cb 0.50 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1sqh n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sqh s ASP 169 N -2.26 6.96 -0.17 2.55 1.11 -1.26 -5.03 116.67 118.56 1sqh s ASP 169 Ca 0.63 1.14 -0.24 0.00 0.18 0.00 0.00 52.55 54.25 1sqh s ASP 169 Cb -0.21 -2.32 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1sqh s ASP 169 CO 0.64 0.27 0.78 -0.22 1.18 0.00 0.00 175.17 177.81 1sqh s LEU 170 N -0.96 4.17 0.36 1.23 2.96 -1.26 -5.03 118.68 120.15 1sqh s LEU 170 Ca 0.27 1.09 -0.28 0.00 -0.22 0.00 0.00 54.13 54.99 1sqh s LEU 170 Cb -0.18 -3.14 -0.12 0.00 0.50 0.00 0.00 46.19 43.25 1sqh s LEU 170 CO 0.17 -0.36 1.39 -2.65 -1.32 0.00 0.00 176.35 173.58 1sqh n PRO 171 N 5.13 2.41 -0.40 0.98 -0.02 -1.26 -4.87 135.00 136.97 1sqh n PRO 171 Ca 0.03 0.84 0.32 0.00 -2.02 0.00 0.00 63.50 62.67 1sqh n PRO 171 Cb 0.49 -2.51 0.60 0.00 -0.02 0.00 0.00 33.50 32.06 1sqh n PRO 171 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1sqh h SER 172 N 2.74 0.32 -0.00 2.55 0.02 -2.03 0.31 113.55 117.46 1sqh h SER 172 Ca -0.49 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1sqh h SER 172 Cb 1.26 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1sqh h SER 172 CO 0.63 -0.11 0.06 -0.33 -1.14 0.00 0.00 176.83 175.94 1sqh h GLU 173 N 0.18 0.00 -5.81 3.45 3.07 -1.96 -3.43 114.58 110.07 1sqh h GLU 173 Ca 0.75 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 59.04 1sqh h GLU 173 Cb 2.21 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.98 1sqh h GLU 173 CO -0.41 0.00 -0.69 -0.06 -1.40 0.00 0.00 179.01 176.45 1sqh s PHE 174 N -4.17 2.23 0.07 4.33 0.08 0.11 -0.94 117.98 119.69 1sqh s PHE 174 Ca -0.05 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.50 1sqh s PHE 174 Cb 0.12 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 1sqh s PHE 174 CO 0.40 0.49 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.68 1sqh s GLU 175 N -3.64 0.76 -0.02 0.44 2.02 0.19 -4.72 118.70 113.73 1sqh s GLU 175 Ca 0.31 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.42 1sqh s GLU 175 Cb 0.02 -0.66 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 1sqh s GLU 175 CO 0.15 0.14 -0.20 0.96 0.02 0.00 0.00 175.26 176.32 1sqh s ILE 176 N -1.49 2.55 0.16 -1.63 -0.00 -1.26 -0.64 121.20 118.89 1sqh s ILE 176 Ca -0.03 -0.99 -0.23 0.00 -0.00 0.00 0.00 60.65 59.41 1sqh s ILE 176 Cb -0.09 -1.96 0.07 0.00 -0.00 0.00 0.00 42.46 40.47 1sqh s ILE 176 CO 0.02 0.54 0.64 0.00 -0.00 0.00 0.00 174.94 176.13 1sqh s ARG 177 N -0.80 1.31 0.52 0.37 1.70 -0.83 -4.99 118.95 116.22 1sqh s ARG 177 Ca 0.11 -0.52 -0.21 0.00 -0.47 0.00 0.00 55.73 54.64 1sqh s ARG 177 Cb -0.10 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 34.79 1sqh s ARG 177 CO 0.01 -0.58 1.15 0.50 -1.08 0.00 0.00 175.30 175.30 1sqh s ARG 178 N -3.72 3.47 0.84 3.89 3.52 -1.26 -0.21 118.95 125.48 1sqh s ARG 178 Ca 0.03 1.70 -0.11 0.00 -0.13 0.00 0.00 55.73 57.21 1sqh s ARG 178 Cb -0.02 -2.15 0.10 0.00 -1.56 0.00 0.00 34.95 31.32 1sqh s ARG 178 CO -0.10 -0.77 1.09 -0.51 -0.81 0.00 0.00 175.30 174.20 1sqh s LEU 179 N -3.53 2.53 0.20 -0.88 1.43 -1.26 -4.74 118.68 112.43 1sqh s LEU 179 Ca 0.70 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 1sqh s LEU 179 Cb -0.26 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1sqh s LEU 179 CO 0.31 -2.34 -0.04 0.00 0.23 0.00 0.00 176.35 174.50 1sqh s ARG 180 N -4.97 1.24 0.28 1.70 1.70 -1.26 -4.98 118.95 112.66 1sqh s ARG 180 Ca 0.62 -1.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.25 1sqh s ARG 180 Cb -0.17 -0.64 0.57 0.00 -0.57 0.00 0.00 34.95 34.14 1sqh s ARG 180 CO 0.56 -0.02 1.59 0.00 -1.08 0.00 0.00 175.30 176.35 1sqh h ALA 181 N 2.59 0.91 -0.16 7.88 0.00 -1.92 0.31 119.26 128.87 1sqh h ALA 181 Ca -0.38 0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sqh h ALA 181 Cb 1.21 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1sqh h ALA 181 CO 0.64 -0.48 0.18 1.05 0.00 0.00 0.00 179.25 180.64 1sqh h GLU 182 N 0.04 0.00 -0.03 0.00 4.11 -2.01 -1.86 114.58 114.84 1sqh h GLU 182 Ca 0.51 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.80 1sqh h GLU 182 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1sqh h GLU 182 CO -0.86 0.00 -0.59 -0.44 0.07 0.00 0.00 179.01 177.19 1sqh h ASP 183 N 0.00 0.10 -0.79 3.06 3.45 -0.79 -3.32 116.42 118.14 1sqh h ASP 183 Ca 0.08 -0.06 0.19 0.00 0.43 0.00 0.00 57.03 57.66 1sqh h ASP 183 Cb 0.43 -0.03 -0.13 0.00 -0.56 0.00 0.00 39.33 39.04 1sqh h ASP 183 CO -0.00 0.67 0.13 0.00 -1.57 0.00 0.00 179.24 178.47 1sqh h ALA 184 N 1.33 0.99 0.00 3.45 0.00 -1.38 -2.63 119.26 121.02 1sqh h ALA 184 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sqh h ALA 184 Cb 1.07 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1sqh h ALA 184 CO 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1sqh n ALA 185 N -2.79 1.50 0.00 0.00 0.00 -1.25 -1.37 120.51 116.60 1sqh n ALA 185 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sqh n ALA 185 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1sqh n ALA 185 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1sqh n VAL 187 N 0.70 0.00 0.12 0.00 3.14 -0.99 -1.24 118.33 120.06 1sqh n VAL 187 Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1sqh n VAL 187 Cb 0.07 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 32.98 1sqh n VAL 187 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1sqh h HIS 188 N 0.00 0.08 0.00 1.45 6.17 -1.49 -3.12 115.15 118.25 1sqh h HIS 188 Ca 0.00 -0.04 -0.03 0.00 0.71 0.00 0.00 60.37 61.01 1sqh h HIS 188 Cb 0.00 -0.01 -0.00 0.00 2.52 0.00 0.00 27.41 29.91 1sqh h HIS 188 CO 0.00 0.69 -0.16 0.22 0.71 0.00 0.00 177.93 179.40 1sqh h ASP 189 N 0.04 0.00 -0.27 3.26 3.58 -1.43 -2.76 116.42 118.85 1sqh h ASP 189 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1sqh h ASP 189 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1sqh h ASP 189 CO 0.09 0.16 0.00 -1.54 -2.88 0.00 0.00 179.24 175.06 1sqh n SER 190 N -3.40 1.63 -4.66 2.28 3.41 -1.18 -4.83 113.62 106.87 1sqh n SER 190 Ca -0.00 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 1sqh n SER 190 Cb 0.35 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1sqh n SER 190 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1sqh s TRP 191 N -1.65 3.39 0.07 7.33 0.52 -1.04 -4.97 118.94 122.59 1sqh s TRP 191 Ca 0.24 1.13 -0.15 0.00 0.02 0.00 0.00 56.10 57.34 1sqh s TRP 191 Cb 0.13 -2.94 -0.22 0.00 -1.15 0.00 0.00 33.47 29.29 1sqh s TRP 191 CO 0.18 -0.23 1.20 -1.00 0.02 0.00 0.00 176.95 177.12 1sqh h PRO 192 N 7.42 0.66 -1.69 4.98 0.13 -1.90 -3.35 132.00 138.25 1sqh h PRO 192 Ca -0.30 -0.66 -0.60 0.00 -0.87 0.00 0.00 66.00 63.57 1sqh h PRO 192 Cb 1.13 0.18 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 1sqh h PRO 192 CO 0.82 1.26 -0.63 0.09 -0.23 0.00 0.00 178.00 179.31 1sqh n ASN 193 N -3.96 4.80 -4.56 1.44 3.02 -1.26 -5.01 115.26 109.73 1sqh n ASN 193 Ca -0.10 -3.72 -0.28 0.00 -0.03 0.00 0.00 54.58 50.45 1sqh n ASN 193 Cb 0.80 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1sqh n ASN 193 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1sqh s LYS 194 N -3.56 2.43 0.00 3.52 -2.85 -1.26 -4.39 119.74 113.64 1sqh s LYS 194 Ca 0.48 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 1sqh s LYS 194 Cb 0.38 -4.85 0.00 0.00 -2.06 0.00 0.00 37.83 31.30 1sqh s LYS 194 CO -0.19 -3.35 0.02 0.41 0.10 0.00 0.00 175.35 172.34 1sqh n GLY 195 N 6.54 0.86 0.04 0.59 0.00 -1.26 -4.88 105.19 107.08 1sqh n GLY 195 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 1sqh n GLY 195 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sqh n GLU 196 N 0.00 1.67 -5.00 1.61 1.02 -1.26 -4.71 120.64 113.98 1sqh n GLU 196 Ca 0.00 -0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.83 1sqh n GLU 196 Cb 0.27 -1.28 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 1sqh n GLU 196 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1sqh s GLY 197 N -4.03 1.05 0.35 0.62 0.00 -1.26 -4.60 107.32 99.45 1sqh s GLY 197 Ca -0.05 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1sqh s GLY 197 CO 0.46 -0.50 0.50 -1.35 0.00 0.00 0.00 173.10 172.20 1sqh s SER 198 N -0.09 5.98 0.19 1.64 1.04 -1.26 -4.97 113.70 116.23 1sqh s SER 198 Ca -0.02 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 1sqh s SER 198 Cb -0.12 -1.35 0.12 0.00 0.10 0.00 0.00 66.02 64.77 1sqh s SER 198 CO 0.02 -0.45 1.84 0.25 0.98 0.00 0.00 173.24 175.89 1sqh h LEU 199 N 0.83 0.79 -1.35 2.42 6.46 -1.99 -1.68 115.31 120.79 1sqh h LEU 199 Ca -0.46 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.18 1sqh h LEU 199 Cb 1.25 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1sqh h LEU 199 CO 0.54 0.60 -0.32 0.00 -0.62 0.00 0.00 178.44 178.64 1sqh h THR 200 N 0.91 1.08 0.04 1.05 1.03 -1.95 -0.81 112.91 114.25 1sqh h THR 200 Ca 0.24 -1.14 -0.00 0.00 -0.01 0.00 0.00 66.41 65.50 1sqh h THR 200 Cb -0.06 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1sqh h THR 200 CO -0.05 0.31 -0.02 0.22 -0.01 0.00 0.00 175.52 175.97 1sqh h TYR 201 N 0.00 -0.05 -0.93 0.00 3.20 -1.68 -1.48 116.97 116.03 1sqh h TYR 201 Ca -0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1sqh h TYR 201 Cb 0.62 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 1sqh h TYR 201 CO 0.00 0.24 0.60 -0.07 -1.64 0.00 0.00 178.16 177.29 1sqh h LEU 202 N -0.34 0.91 -1.19 2.82 4.07 -0.87 -0.56 115.31 120.16 1sqh h LEU 202 Ca -0.01 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1sqh h LEU 202 Cb 0.31 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1sqh h LEU 202 CO 0.01 0.56 -0.08 1.56 -1.08 0.00 0.00 178.44 179.41 1sqh h GLN 203 N 1.02 0.47 -0.36 1.13 4.20 -0.91 -1.23 115.11 119.43 1sqh h GLN 203 Ca 0.42 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.88 1sqh h GLN 203 Cb 0.28 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1sqh h GLN 203 CO -0.17 0.56 -0.30 0.00 -0.67 0.00 0.00 178.83 178.24 1sqh h ALA 204 N 1.48 0.52 -0.65 3.87 0.00 -0.07 -2.92 119.26 121.49 1sqh h ALA 204 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1sqh h ALA 204 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1sqh h ALA 204 CO 0.02 0.55 0.18 -0.07 0.00 0.00 0.00 179.25 179.94 1sqh h LEU 205 N 0.62 0.94 -1.38 0.00 3.38 -0.76 0.35 115.31 118.47 1sqh h LEU 205 Ca 0.06 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1sqh h LEU 205 Cb 0.88 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sqh h LEU 205 CO 0.08 0.89 -0.22 1.62 0.09 0.00 0.00 178.44 180.90 1sqh h VAL 206 N 0.97 0.63 0.01 1.22 3.04 -1.23 0.25 116.25 121.13 1sqh h VAL 206 Ca 0.21 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 64.88 1sqh h VAL 206 Cb 0.30 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1sqh h VAL 206 CO -0.00 0.21 -0.22 -0.09 -1.01 0.00 0.00 177.57 176.46 1sqh h ARG 207 N 0.00 0.01 0.00 4.17 2.43 -1.14 -3.41 114.38 116.45 1sqh h ARG 207 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sqh h ARG 207 Cb 0.62 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1sqh h ARG 207 CO 0.03 1.01 -1.06 1.19 -1.51 0.00 0.00 179.97 179.63 1sqh n PHE 208 N -4.56 0.00 -4.21 2.20 3.72 0.03 -4.99 117.46 109.65 1sqh n PHE 208 Ca -0.13 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.02 1sqh n PHE 208 Cb 0.52 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.93 1sqh n PHE 208 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1sqh s ASN 209 N -3.06 4.39 0.46 4.37 -0.87 0.07 -5.05 114.94 115.25 1sqh s ASN 209 Ca 0.06 -0.97 -0.16 0.00 -1.57 0.00 0.00 52.86 50.22 1sqh s ASN 209 Cb 0.15 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.25 40.73 1sqh s ASN 209 CO 0.83 -0.36 0.91 -0.54 -2.57 0.00 0.00 177.10 175.37 1sqh s LYS 210 N -3.82 3.97 0.17 -0.60 1.02 -1.26 -4.63 119.74 114.60 1sqh s LYS 210 Ca 0.38 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 57.05 1sqh s LYS 210 Cb 0.01 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1sqh s LYS 210 CO 0.21 -0.14 0.49 -1.54 -0.92 0.00 0.00 175.35 173.45 1sqh s SER 211 N -2.87 -0.26 -0.10 2.83 1.04 -1.26 -1.10 113.70 111.98 1sqh s SER 211 Ca 0.57 -0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 1sqh s SER 211 Cb -0.10 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.61 1sqh s SER 211 CO 0.27 -0.99 0.25 -0.76 0.98 0.00 0.00 173.24 172.99 1sqh s LEU 212 N -2.85 0.69 0.08 2.42 1.43 0.12 -4.12 118.68 116.44 1sqh s LEU 212 Ca 0.08 0.53 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 1sqh s LEU 212 Cb -0.00 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 47.00 1sqh s LEU 212 CO -0.06 -0.13 -0.16 -0.83 0.23 0.00 0.00 176.35 175.40 1sqh s GLY 213 N 0.75 0.99 -0.24 -3.19 0.00 0.71 -0.79 107.32 105.56 1sqh s GLY 213 Ca -0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 1sqh s GLY 213 CO -0.05 -1.11 -0.02 -0.42 0.00 0.00 0.00 173.10 171.50 1sqh s ILE 214 N -1.26 3.39 0.12 0.90 -1.09 0.13 -1.97 121.20 121.43 1sqh s ILE 214 Ca 0.01 -0.62 0.10 0.00 -2.23 0.00 0.00 60.65 57.91 1sqh s ILE 214 Cb -0.10 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1sqh s ILE 214 CO 0.03 0.32 -0.25 0.00 -1.23 0.00 0.00 174.94 173.81 1sqh s ARG 216 N -1.97 4.41 0.47 0.00 0.52 -1.11 0.56 118.95 121.82 1sqh s ARG 216 Ca 0.12 1.97 0.16 0.00 -0.52 0.00 0.00 55.73 57.46 1sqh s ARG 216 Cb -0.10 -3.23 1.13 0.00 0.52 0.00 0.00 34.95 33.27 1sqh s ARG 216 CO 0.05 -0.24 2.02 0.77 0.02 0.00 0.00 175.30 177.92 1sqh h SER 217 N 5.76 0.24 0.00 0.23 0.02 -1.31 0.11 113.55 118.59 1sqh h SER 217 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1sqh h SER 217 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1sqh h SER 217 CO 0.79 0.15 0.00 -0.90 -1.14 0.00 0.00 176.83 175.73 1sqh n ASP 218 N -4.46 0.00 0.06 3.07 5.75 -1.26 -4.37 116.55 115.34 1sqh n ASP 218 Ca 0.07 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.06 1sqh n ASP 218 Cb 0.35 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.18 1sqh n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqh h THR 219 N 0.00 0.48 0.00 2.12 1.03 -1.98 -3.45 112.91 111.11 1sqh h THR 219 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1sqh h THR 219 Cb 0.00 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1sqh h THR 219 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1sqh n GLY 220 N -1.53 0.64 3.67 2.99 0.00 0.37 -4.98 105.19 106.34 1sqh n GLY 220 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1sqh n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sqh s GLU 221 N -0.04 4.17 0.10 1.61 2.12 -1.26 -4.51 118.70 120.89 1sqh s GLU 221 Ca 0.00 2.43 -0.31 0.00 0.36 0.00 0.00 54.97 57.45 1sqh s GLU 221 Cb 0.00 -3.88 -0.10 0.00 0.26 0.00 0.00 34.13 30.42 1sqh s GLU 221 CO 0.00 -0.85 1.86 -1.17 -0.54 0.00 0.00 175.26 174.55 1sqh s LEU 222 N 3.59 4.41 0.00 2.70 2.96 -1.26 -2.76 118.68 128.32 1sqh s LEU 222 Ca 0.80 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 57.42 1sqh s LEU 222 Cb -0.40 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.73 1sqh s LEU 222 CO 0.35 -1.01 0.00 0.00 -1.32 0.00 0.00 176.35 174.37 1sqh n ILE 223 N 4.96 0.00 -3.55 6.68 0.13 0.15 -4.98 119.36 122.76 1sqh n ILE 223 Ca 0.18 -0.35 -0.15 0.00 -1.10 0.00 0.00 62.75 61.33 1sqh n ILE 223 Cb 0.39 0.86 -0.06 0.00 -0.84 0.00 0.00 39.64 40.00 1sqh n ILE 223 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1sqh s ALA 224 N -1.20 -1.82 0.19 1.51 0.00 -1.16 -0.70 121.76 118.57 1sqh s ALA 224 Ca 0.00 1.45 -0.18 0.00 0.00 0.00 0.00 51.96 53.23 1sqh s ALA 224 Cb 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1sqh s ALA 224 CO 0.00 -0.35 0.53 1.67 0.00 0.00 0.00 175.76 177.62 1sqh s TRP 225 N -1.04 -0.17 -0.10 0.00 -2.14 -0.21 0.22 118.94 115.49 1sqh s TRP 225 Ca -0.07 -0.16 -0.13 0.00 2.66 0.00 0.00 56.10 58.39 1sqh s TRP 225 Cb -0.01 0.42 0.03 0.00 -3.10 0.00 0.00 33.47 30.82 1sqh s TRP 225 CO 0.07 -0.91 0.35 -1.50 -2.66 0.00 0.00 176.95 172.29 1sqh s ILE 226 N -3.86 0.02 0.36 0.66 -1.16 0.03 -1.64 121.20 115.61 1sqh s ILE 226 Ca 0.08 -0.13 0.09 0.00 -0.51 0.00 0.00 60.65 60.17 1sqh s ILE 226 Cb -0.01 -0.54 -0.07 0.00 0.61 0.00 0.00 42.46 42.45 1sqh s ILE 226 CO -0.04 -0.07 -0.06 -0.36 -2.81 0.00 0.00 174.94 171.60 1sqh s PHE 227 N -0.26 2.45 0.09 3.50 0.40 -0.39 -0.71 117.98 123.07 1sqh s PHE 227 Ca -0.04 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 55.64 1sqh s PHE 227 Cb -0.03 -1.48 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 1sqh s PHE 227 CO 0.02 0.54 0.46 -1.14 0.70 0.00 0.00 175.22 175.79 1sqh s GLN 228 N -3.65 3.88 0.00 0.44 0.74 -0.26 -1.52 119.66 119.30 1sqh s GLN 228 Ca 0.33 0.35 0.00 0.00 0.05 0.00 0.00 55.36 56.09 1sqh s GLN 228 Cb 0.04 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.12 1sqh s GLN 228 CO 0.17 0.56 0.00 0.27 -0.55 0.00 0.00 175.29 175.74 1sqh n ASN 229 N 1.07 0.68 -0.15 6.67 6.94 0.63 -4.76 115.26 126.35 1sqh n ASN 229 Ca -0.08 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1sqh n ASN 229 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 1sqh n ASN 229 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1sqh n ASP 230 N -2.24 0.26 -0.07 0.53 5.75 -1.26 -1.46 116.55 118.05 1sqh n ASP 230 Ca 0.00 -1.72 0.02 0.00 -0.01 0.00 0.00 54.79 53.09 1sqh n ASP 230 Cb 0.00 -0.13 0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1sqh n ASP 230 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1sqh n PHE 231 N -0.33 0.00 -1.16 2.11 3.01 -1.26 -4.63 117.46 115.20 1sqh n PHE 231 Ca 0.00 -0.44 -0.05 0.00 1.01 0.00 0.00 57.45 57.96 1sqh n PHE 231 Cb 0.06 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1sqh n PHE 231 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1sqh n SER 232 N -0.54 -5.27 0.00 4.37 7.64 -0.54 -4.78 113.62 114.50 1sqh n SER 232 Ca 0.04 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1sqh n SER 232 Cb 0.45 -3.25 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1sqh n SER 232 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqh n GLY 233 N -0.17 2.75 3.87 0.23 0.00 -1.26 -4.72 105.19 105.88 1sqh n GLY 233 Ca -0.05 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1sqh n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqh s LEU 234 N 0.00 4.32 -0.42 0.99 1.02 0.95 -0.27 118.68 125.26 1sqh s LEU 234 Ca 0.00 0.80 0.05 0.00 0.02 0.00 0.00 54.13 55.01 1sqh s LEU 234 Cb 0.00 -3.14 0.18 0.00 0.02 0.00 0.00 46.19 43.26 1sqh s LEU 234 CO 0.00 0.12 0.71 -0.83 0.02 0.00 0.00 176.35 176.37 1sqh s GLY 235 N -1.92 -1.32 -0.28 -3.19 0.00 -0.58 -4.22 107.32 95.81 1sqh s GLY 235 Ca 0.36 0.21 -0.25 0.00 0.00 0.00 0.00 44.72 45.04 1sqh s GLY 235 CO 0.19 3.76 1.00 -2.27 0.00 0.00 0.00 173.10 175.79 1sqh s LEU 237 N 1.62 -0.48 -0.21 0.66 2.96 -1.26 -1.26 118.68 120.71 1sqh s LEU 237 Ca 0.19 0.92 -0.27 0.00 -0.22 0.00 0.00 54.13 54.75 1sqh s LEU 237 Cb -0.02 1.93 0.11 0.00 0.50 0.00 0.00 46.19 48.71 1sqh s LEU 237 CO -0.08 -0.16 0.93 -1.58 -1.32 0.00 0.00 176.35 174.15 1sqh s GLN 238 N 0.28 0.65 -0.10 1.98 0.74 -0.65 -5.01 119.66 117.55 1sqh s GLN 238 Ca 0.03 0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.92 1sqh s GLN 238 Cb -0.05 0.31 0.02 0.00 1.10 0.00 0.00 33.01 34.39 1sqh s GLN 238 CO -0.06 -0.14 -0.12 0.08 -0.55 0.00 0.00 175.29 174.50 1sqh s VAL 239 N -0.35 1.27 0.43 1.34 1.01 -1.26 -1.05 120.40 121.79 1sqh s VAL 239 Ca -0.01 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 1sqh s VAL 239 Cb -0.03 -1.19 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 1sqh s VAL 239 CO -0.01 0.40 1.45 0.18 0.00 0.00 0.00 175.10 177.12 1sqh n LEU 240 N 4.27 5.04 -0.30 3.92 4.32 0.12 -4.81 117.00 129.56 1sqh n LEU 240 Ca -0.19 1.15 0.13 0.00 -0.02 0.00 0.00 56.01 57.08 1sqh n LEU 240 Cb 0.51 -1.61 0.29 0.00 -1.62 0.00 0.00 43.42 40.99 1sqh n LEU 240 CO 0.23 -0.07 0.95 -0.65 -1.22 0.00 0.00 177.39 176.63 1sqh h PRO 241 N 2.47 0.22 0.00 3.23 0.11 -1.99 0.59 132.00 136.63 1sqh h PRO 241 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sqh h PRO 241 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sqh h PRO 241 CO 0.62 0.15 0.00 0.36 -0.21 0.00 0.00 178.00 178.91 1sqh n LYS 242 N -5.20 0.15 -0.03 1.05 2.85 -1.26 -1.65 118.16 114.06 1sqh n LYS 242 Ca 0.21 0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.57 1sqh n LYS 242 Cb 0.68 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.57 1sqh n LYS 242 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sqh n ALA 243 N -1.11 1.66 -1.09 0.58 0.00 0.19 -5.09 120.51 115.65 1sqh n ALA 243 Ca 0.04 -0.93 -0.31 0.00 0.00 0.00 0.00 53.44 52.23 1sqh n ALA 243 Cb 0.03 -0.05 0.11 0.00 0.00 0.00 0.00 19.45 19.54 1sqh n ALA 243 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sqh s GLU 244 N -0.72 1.88 -1.45 0.00 2.02 -0.66 -3.88 118.70 115.90 1sqh s GLU 244 Ca 0.02 1.30 -0.11 0.00 0.02 0.00 0.00 54.97 56.21 1sqh s GLU 244 Cb 0.02 -1.84 0.05 0.00 0.10 0.00 0.00 34.13 32.46 1sqh s GLU 244 CO 0.00 -1.95 1.06 0.54 0.02 0.00 0.00 175.26 174.94 1sqh n ARG 245 N -3.70 -6.56 -0.00 1.61 3.00 -1.26 -4.86 116.66 104.88 1sqh n ARG 245 Ca 0.10 0.70 0.00 0.00 -0.01 0.00 0.00 57.85 58.64 1sqh n ARG 245 Cb 0.53 -5.65 0.00 0.00 0.00 0.00 0.00 32.46 27.34 1sqh n ARG 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1sqh n ARG 246 N -4.80 2.56 -1.09 5.56 1.74 -1.25 -4.98 116.66 114.40 1sqh n ARG 246 Ca 0.01 -1.40 -0.03 0.00 -0.77 0.00 0.00 57.85 55.65 1sqh n ARG 246 Cb 0.55 -0.95 -0.01 0.00 -1.02 0.00 0.00 32.46 31.03 1sqh n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqh n GLY 247 N -0.46 0.57 0.21 -0.13 0.00 -1.26 -4.91 105.19 99.20 1sqh n GLY 247 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1sqh n GLY 247 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqh h LEU 248 N 0.00 0.57 -0.34 0.99 3.38 -1.94 -2.47 115.31 115.50 1sqh h LEU 248 Ca -0.07 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1sqh h LEU 248 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1sqh h LEU 248 CO 0.10 1.00 0.17 1.23 0.09 0.00 0.00 178.44 181.02 1sqh h GLY 249 N 1.11 0.46 2.00 0.83 0.00 -1.93 0.61 103.07 106.15 1sqh h GLY 249 Ca 0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1sqh h GLY 249 CO 0.10 0.09 -0.52 -1.33 0.00 0.00 0.00 176.54 174.88 1sqh h GLY 250 N 0.35 0.00 0.74 4.60 0.00 -1.93 -2.73 103.07 104.09 1sqh h GLY 250 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1sqh h GLY 250 CO -0.10 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.41 1sqh h LEU 251 N 0.00 0.24 0.11 3.11 6.46 -0.87 -1.69 115.31 122.67 1sqh h LEU 251 Ca -0.01 -0.37 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 1sqh h LEU 251 Cb 0.93 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1sqh h LEU 251 CO 0.07 0.55 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.20 1sqh h LEU 252 N -0.08 -0.49 -0.94 2.25 -0.00 -0.85 -0.53 115.31 114.68 1sqh h LEU 252 Ca 0.03 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.05 1sqh h LEU 252 Cb 0.45 0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 41.22 1sqh h LEU 252 CO 0.01 -0.25 0.59 0.00 -0.00 0.00 0.00 178.44 178.79 1sqh h ALA 253 N 0.49 1.35 -0.05 1.53 0.00 -1.47 -2.53 119.26 118.58 1sqh h ALA 253 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sqh h ALA 253 Cb 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sqh h ALA 253 CO -0.09 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 1sqh h ALA 254 N 1.47 0.07 0.00 0.00 0.00 -0.93 -2.11 119.26 117.76 1sqh h ALA 254 Ca 0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sqh h ALA 254 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sqh h ALA 254 CO -0.21 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 178.82 1sqh n ALA 255 N -2.31 1.05 0.00 0.00 0.00 -0.24 -1.58 120.51 117.44 1sqh n ALA 255 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sqh n ALA 255 Cb 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1sqh n ALA 255 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1sqh n SER 257 N 0.58 0.00 0.11 0.00 7.64 -0.79 -0.52 113.62 120.63 1sqh n SER 257 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1sqh n SER 257 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1sqh n SER 257 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1sqh h ARG 258 N 0.00 -0.21 -0.61 1.43 2.47 -1.42 -1.89 114.38 114.14 1sqh h ARG 258 Ca 0.00 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.80 1sqh h ARG 258 Cb 0.00 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.31 1sqh h ARG 258 CO 0.00 -0.05 0.30 1.49 0.56 0.00 0.00 179.97 182.27 1sqh h GLU 259 N -0.33 0.54 -0.12 0.04 4.81 -1.07 -0.87 114.58 117.58 1sqh h GLU 259 Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1sqh h GLU 259 Cb 0.26 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1sqh h GLU 259 CO 0.04 0.36 0.02 0.82 -0.73 0.00 0.00 179.01 179.51 1sqh h ILE 260 N 0.55 1.22 -0.02 2.32 2.04 -1.79 -2.42 117.51 119.41 1sqh h ILE 260 Ca 0.28 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1sqh h ILE 260 Cb 0.23 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1sqh h ILE 260 CO -0.21 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.09 1sqh h ALA 261 N 0.79 1.88 -0.00 1.87 0.00 -0.94 -0.78 119.26 122.07 1sqh h ALA 261 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sqh h ALA 261 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sqh h ALA 261 CO 0.00 0.10 -0.42 0.54 0.00 0.00 0.00 179.25 179.47 1sqh n ARG 262 N -4.46 0.12 -0.01 0.00 1.74 -0.37 -3.74 116.66 109.95 1sqh n ARG 262 Ca -0.02 -0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.09 1sqh n ARG 262 Cb 0.14 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 1sqh n ARG 262 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqh n GLY 263 N 1.47 -0.91 3.42 -0.13 0.00 -0.74 -5.00 105.19 103.30 1sqh n GLY 263 Ca 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1sqh n GLY 263 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqh s GLU 264 N -3.34 1.14 -0.69 1.61 -1.05 -0.38 -5.09 118.70 110.91 1sqh s GLU 264 Ca -0.06 -0.29 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 1sqh s GLU 264 Cb 0.13 0.52 0.14 0.00 -0.44 0.00 0.00 34.13 34.48 1sqh s GLU 264 CO 0.83 -0.44 0.74 -2.00 0.95 0.00 0.00 175.26 175.34 1sqh s GLU 265 N -2.90 3.24 0.16 -4.83 2.12 -1.26 -4.25 118.70 110.98 1sqh s GLU 265 Ca -0.03 -1.71 -0.18 0.00 0.36 0.00 0.00 54.97 53.41 1sqh s GLU 265 Cb -0.00 -4.40 0.04 0.00 0.26 0.00 0.00 34.13 30.03 1sqh s GLU 265 CO -0.05 -1.48 0.49 0.96 -0.54 0.00 0.00 175.26 174.63 1sqh s ILE 266 N 1.92 0.04 0.24 -3.70 -5.25 -1.26 -5.14 121.20 108.05 1sqh s ILE 266 Ca 0.14 -0.53 -0.30 0.00 -0.99 0.00 0.00 60.65 58.98 1sqh s ILE 266 Cb -0.19 -1.28 -0.09 0.00 2.95 0.00 0.00 42.46 43.85 1sqh s ILE 266 CO -0.00 -0.18 1.21 -0.89 -1.79 0.00 0.00 174.94 173.29 1sqh s THR 267 N -3.82 3.33 0.23 8.37 2.01 -1.26 -4.27 115.64 120.23 1sqh s THR 267 Ca 0.05 1.21 -0.20 0.00 0.31 0.00 0.00 61.69 63.06 1sqh s THR 267 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1sqh s THR 267 CO -0.09 0.24 0.74 -0.76 -0.69 0.00 0.00 174.62 174.06 1sqh s LEU 268 N -0.84 4.35 0.29 4.42 2.01 -0.07 -4.80 118.68 124.04 1sqh s LEU 268 Ca 0.50 1.45 -0.08 0.00 0.01 0.00 0.00 54.13 56.02 1sqh s LEU 268 Cb -0.34 -3.61 -0.00 0.00 0.01 0.00 0.00 46.19 42.24 1sqh s LEU 268 CO 0.41 0.03 0.47 0.42 1.01 0.00 0.00 176.35 178.69 1sqh s THR 269 N -1.52 0.00 -0.27 5.49 -4.23 -1.26 -0.90 115.64 112.95 1sqh s THR 269 Ca 0.43 -1.51 -0.25 0.00 -1.18 0.00 0.00 61.69 59.19 1sqh s THR 269 Cb -0.17 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1sqh s THR 269 CO 0.21 0.00 0.72 0.00 -0.54 0.00 0.00 174.62 175.01 1sqh s ALA 270 N -3.49 -1.78 -0.28 3.99 0.00 -1.26 -0.04 121.76 118.89 1sqh s ALA 270 Ca 0.27 2.05 -0.09 0.00 0.00 0.00 0.00 51.96 54.18 1sqh s ALA 270 Cb -0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1sqh s ALA 270 CO 0.14 -0.34 0.13 -1.58 0.00 0.00 0.00 175.76 174.11 1sqh s TRP 271 N 0.44 3.15 0.06 0.00 0.52 -1.26 -4.37 118.94 117.48 1sqh s TRP 271 Ca -0.00 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1sqh s TRP 271 Cb -0.05 -2.32 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1sqh s TRP 271 CO 0.00 -0.33 -0.14 0.96 0.02 0.00 0.00 176.95 177.47 1sqh s ILE 272 N 1.66 1.06 0.32 2.03 -4.36 -0.97 -4.96 121.20 115.99 1sqh s ILE 272 Ca 0.06 -1.17 -0.29 0.00 -0.26 0.00 0.00 60.65 58.99 1sqh s ILE 272 Cb -0.16 -1.01 -0.11 0.00 1.25 0.00 0.00 42.46 42.44 1sqh s ILE 272 CO 0.07 -0.15 1.47 -0.69 0.24 0.00 0.00 174.94 175.87 1sqh s VAL 273 N -1.11 2.33 0.60 8.37 1.01 -1.26 -0.24 120.40 130.09 1sqh s VAL 273 Ca -0.01 0.30 0.29 0.00 0.00 0.00 0.00 61.98 62.56 1sqh s VAL 273 Cb -0.09 -3.19 0.36 0.00 0.00 0.00 0.00 36.38 33.46 1sqh s VAL 273 CO 0.02 0.06 2.01 0.00 0.00 0.00 0.00 175.10 177.19 1sqh h ALA 274 N 3.98 1.89 -0.01 5.51 0.00 -1.41 0.95 119.26 130.17 1sqh h ALA 274 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sqh h ALA 274 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sqh h ALA 274 CO 0.71 -0.46 -0.11 0.25 0.00 0.00 0.00 179.25 179.65 1sqh n THR 275 N -3.66 0.00 -1.68 0.00 -2.24 -1.26 -4.51 114.28 100.93 1sqh n THR 275 Ca 0.04 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 1sqh n THR 275 Cb 0.46 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1sqh n THR 275 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sqh n ASN 276 N 0.08 5.49 -0.29 3.42 2.85 0.33 -4.70 115.26 122.44 1sqh n ASN 276 Ca 0.16 -2.80 0.11 0.00 -0.11 0.00 0.00 54.58 51.94 1sqh n ASN 276 Cb 0.39 -1.60 0.36 0.00 1.24 0.00 0.00 39.78 40.16 1sqh n ASN 276 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1sqh h TRP 277 N 5.65 0.87 -0.52 1.20 5.08 -1.83 -2.02 115.95 124.37 1sqh h TRP 277 Ca 0.64 0.03 -0.10 0.00 1.08 0.00 0.00 58.89 60.54 1sqh h TRP 277 Cb 0.53 -0.28 -0.02 0.00 -3.00 0.00 0.00 29.16 26.39 1sqh h TRP 277 CO 1.57 0.32 -0.05 -0.09 -1.28 0.00 0.00 178.44 178.90 1sqh h ARG 278 N 0.74 0.96 -0.15 0.12 2.43 -1.98 -0.80 114.38 115.70 1sqh h ARG 278 Ca 0.46 -0.33 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1sqh h ARG 278 Cb 0.69 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1sqh h ARG 278 CO -0.22 1.00 -0.61 0.77 -1.51 0.00 0.00 179.97 179.40 1sqh h SER 279 N 0.83 0.56 -0.65 -3.80 0.02 -1.82 -1.80 113.55 106.90 1sqh h SER 279 Ca 0.14 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1sqh h SER 279 Cb 0.60 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1sqh h SER 279 CO 0.04 1.04 0.38 -0.08 -1.14 0.00 0.00 176.83 177.07 1sqh h GLU 280 N 0.37 0.89 -0.24 3.45 4.81 -1.26 -0.66 114.58 121.94 1sqh h GLU 280 Ca -0.01 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1sqh h GLU 280 Cb 1.16 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1sqh h GLU 280 CO 0.11 0.65 0.07 0.00 -0.73 0.00 0.00 179.01 179.11 1sqh h ALA 281 N 1.19 0.32 0.00 2.92 0.00 -0.93 0.09 119.26 122.84 1sqh h ALA 281 Ca 0.23 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1sqh h ALA 281 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sqh h ALA 281 CO -0.04 -0.05 -0.48 1.37 0.00 0.00 0.00 179.25 180.05 1sqh h LEU 282 N 0.22 0.00 -0.38 0.00 8.10 -1.20 -1.55 115.31 120.50 1sqh h LEU 282 Ca 0.08 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.88 1sqh h LEU 282 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1sqh h LEU 282 CO -0.00 0.48 -0.74 -0.07 -4.11 0.00 0.00 178.44 174.00 1sqh h LEU 283 N 0.00 0.50 -0.59 0.17 3.38 -0.95 -2.92 115.31 114.90 1sqh h LEU 283 Ca -0.00 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1sqh h LEU 283 Cb 0.93 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1sqh h LEU 283 CO 0.06 1.08 0.02 0.50 0.09 0.00 0.00 178.44 180.19 1sqh h LYS 284 N 0.28 1.03 -0.14 1.13 3.64 -0.67 -0.60 116.57 121.25 1sqh h LYS 284 Ca -0.03 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1sqh h LYS 284 Cb 1.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1sqh h LYS 284 CO 0.13 1.01 -0.04 -0.09 -2.27 0.00 0.00 179.45 178.19 1sqh h ARG 285 N 0.93 0.20 0.00 1.90 2.43 -1.20 -0.49 114.38 118.15 1sqh h ARG 285 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1sqh h ARG 285 Cb 0.53 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1sqh h ARG 285 CO 0.03 0.26 -0.27 0.82 -1.51 0.00 0.00 179.97 179.30 1sqh h ILE 286 N 0.20 0.53 0.00 1.20 2.04 -1.30 -3.47 117.51 116.72 1sqh h ILE 286 Ca 0.05 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1sqh h ILE 286 Cb 0.20 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1sqh h ILE 286 CO 0.01 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1sqh n GLY 287 N 0.73 0.89 3.77 5.37 0.00 -0.19 -5.01 105.19 110.75 1sqh n GLY 287 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1sqh n GLY 287 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqh s TYR 288 N -1.15 2.55 0.13 1.61 2.02 -0.27 -4.82 117.35 117.43 1sqh s TYR 288 Ca 0.00 1.32 0.09 0.00 -0.37 0.00 0.00 57.07 58.11 1sqh s TYR 288 Cb 0.00 -3.83 -0.04 0.00 -0.40 0.00 0.00 41.96 37.69 1sqh s TYR 288 CO 0.00 -2.67 -0.22 1.14 -1.57 0.00 0.00 175.55 172.23 1sqh s GLN 289 N -2.44 1.25 -0.58 -0.62 -2.07 0.01 -4.16 119.66 111.05 1sqh s GLN 289 Ca 0.61 -1.30 -0.24 0.00 -1.82 0.00 0.00 55.36 52.61 1sqh s GLN 289 Cb -0.42 -1.51 0.05 0.00 -1.09 0.00 0.00 33.01 30.04 1sqh s GLN 289 CO 0.53 0.34 0.95 0.21 -1.32 0.00 0.00 175.29 176.00 1sqh s LYS 290 N -2.24 3.27 -0.06 9.60 2.20 -1.26 0.31 119.74 131.56 1sqh s LYS 290 Ca 0.12 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 1sqh s LYS 290 Cb -0.09 -4.10 0.13 0.00 -1.51 0.00 0.00 37.83 32.26 1sqh s LYS 290 CO 0.06 -1.58 1.04 -0.40 -0.36 0.00 0.00 175.35 174.11 1sqh n ASP 291 N 7.56 1.95 -3.62 1.43 5.68 -1.02 -5.00 116.55 123.53 1sqh n ASP 291 Ca 0.00 -2.42 -0.16 0.00 -0.50 0.00 0.00 54.79 51.71 1sqh n ASP 291 Cb 0.47 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.18 1sqh n ASP 291 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1sqh s LEU 292 N -1.72 -0.21 -0.08 -2.12 2.96 -1.19 -5.00 118.68 111.33 1sqh s LEU 292 Ca 0.14 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1sqh s LEU 292 Cb 0.12 2.11 0.02 0.00 0.50 0.00 0.00 46.19 48.95 1sqh s LEU 292 CO 0.01 -0.46 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.85 1sqh s VAL 293 N -0.80 0.70 0.22 1.68 1.01 -1.26 -0.11 120.40 121.85 1sqh s VAL 293 Ca -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1sqh s VAL 293 Cb -0.02 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1sqh s VAL 293 CO 0.06 0.30 0.02 0.20 0.00 0.00 0.00 175.10 175.68 1sqh s ASN 294 N 1.61 1.58 0.10 3.32 -0.87 -0.64 -4.30 114.94 115.74 1sqh s ASN 294 Ca 0.01 -1.24 0.09 0.00 -1.57 0.00 0.00 52.86 50.15 1sqh s ASN 294 Cb -0.13 0.06 -0.04 0.00 -0.02 0.00 0.00 41.25 41.12 1sqh s ASN 294 CO -0.05 -0.57 -0.18 -1.61 -2.57 0.00 0.00 177.10 172.13 1sqh s GLU 295 N -3.90 1.85 -0.28 -0.60 2.02 -0.40 -0.55 118.70 116.84 1sqh s GLU 295 Ca 0.29 -1.13 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 1sqh s GLU 295 Cb 0.06 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.19 1sqh s GLU 295 CO 0.08 0.49 0.00 -1.58 0.02 0.00 0.00 175.26 174.28 1sqh s TRP 296 N -1.10 3.14 -0.40 1.61 0.51 -0.63 -0.97 118.94 121.10 1sqh s TRP 296 Ca 0.17 -1.43 -0.08 0.00 -2.12 0.00 0.00 56.10 52.64 1sqh s TRP 296 Cb -0.11 -2.14 0.07 0.00 -0.81 0.00 0.00 33.47 30.49 1sqh s TRP 296 CO 0.09 -0.70 0.23 0.42 -0.51 0.00 0.00 176.95 176.48 1sqh s ILE 297 N 1.37 4.09 -0.30 2.03 1.01 0.68 -1.92 121.20 128.16 1sqh s ILE 297 Ca -0.00 -1.39 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 1sqh s ILE 297 Cb -0.18 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1sqh s ILE 297 CO -0.01 -0.46 0.63 -0.75 0.00 0.00 0.00 174.94 174.35 1sqh s LYS 298 N 1.40 3.93 -0.11 2.79 2.47 -0.79 -0.69 119.74 128.74 1sqh s LYS 298 Ca 0.03 0.33 -0.21 0.00 -1.56 0.00 0.00 55.97 54.56 1sqh s LYS 298 Cb -0.22 -3.72 -0.04 0.00 -1.46 0.00 0.00 37.83 32.39 1sqh s LYS 298 CO 0.02 -0.55 0.59 -0.51 0.16 0.00 0.00 175.35 175.06 1sqh s LEU 299 N 2.59 4.27 0.08 5.43 1.02 -0.95 -0.61 118.68 130.51 1sqh s LEU 299 Ca 0.25 0.96 -0.28 0.00 0.02 0.00 0.00 54.13 55.08 1sqh s LEU 299 Cb -0.15 -2.87 -0.05 0.00 0.02 0.00 0.00 46.19 43.13 1sqh s LEU 299 CO 0.11 -0.09 0.90 0.68 0.02 0.00 0.00 176.35 177.98 1sqh s VAL 300 N 0.91 4.61 0.20 -1.59 -7.23 -0.79 -3.83 120.40 112.67 1sqh s VAL 300 Ca 0.31 1.94 -0.32 0.00 -1.81 0.00 0.00 61.98 62.09 1sqh s VAL 300 Cb -0.16 -4.26 -0.13 0.00 0.56 0.00 0.00 36.38 32.38 1sqh s VAL 300 CO 0.13 0.31 1.51 -2.65 -0.31 0.00 0.00 175.10 174.10 1sqh n PRO 301 N 2.92 2.15 0.00 4.82 -0.02 -1.26 -4.52 135.00 139.09 1sqh n PRO 301 Ca 0.01 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1sqh n PRO 301 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1sqh n PRO 301 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sqh n ASN 302 N 2.81 0.00 0.00 2.55 5.03 -0.48 -4.92 115.26 120.25 1sqh n ASN 302 Ca 0.14 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.64 1sqh n ASN 302 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 1sqh n ASN 302 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89