#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqg s ASN 6 N 0.00 6.25 0.41 2.89 3.84 -1.26 -4.94 114.94 122.13 1sqg s ASN 6 Ca 0.00 -0.37 0.16 0.00 0.21 0.00 0.00 52.86 52.86 1sqg s ASN 6 Cb 0.00 -2.25 0.90 0.00 -0.55 0.00 0.00 41.25 39.35 1sqg s ASN 6 CO 0.00 -0.55 1.90 -0.07 -2.79 0.00 0.00 177.10 175.59 1sqg h LEU 7 N 9.13 0.00 -0.43 3.21 3.38 -1.98 -2.27 115.31 126.35 1sqg h LEU 7 Ca -0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1sqg h LEU 7 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1sqg h LEU 7 CO 0.79 0.29 -0.41 0.03 0.09 0.00 0.00 178.44 179.23 1sqg h ARG 8 N 0.00 0.87 -0.46 1.13 -0.00 -1.92 -0.16 114.38 113.84 1sqg h ARG 8 Ca -0.00 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.98 58.99 1sqg h ARG 8 Cb 0.54 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 30.51 1sqg h ARG 8 CO 0.04 1.11 0.21 0.77 0.00 0.00 0.00 179.97 182.10 1sqg h SER 9 N 0.70 0.60 -0.55 7.04 0.02 -1.77 -0.14 113.55 119.46 1sqg h SER 9 Ca 0.05 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1sqg h SER 9 Cb 0.99 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1sqg h SER 9 CO 0.10 0.57 0.36 0.24 -1.14 0.00 0.00 176.83 176.96 1sqg h MET 10 N 0.59 0.72 -0.58 3.45 2.86 -1.22 -1.45 114.93 119.30 1sqg h MET 10 Ca 0.16 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1sqg h MET 10 Cb 0.13 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1sqg h MET 10 CO -0.02 0.48 0.09 0.00 1.06 0.00 0.00 176.91 178.52 1sqg h ALA 11 N 1.20 0.77 -0.27 6.32 0.00 -0.78 -1.67 119.26 124.84 1sqg h ALA 11 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sqg h ALA 11 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1sqg h ALA 11 CO -0.04 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.91 1sqg h ALA 12 N 1.01 0.34 -0.71 0.00 0.00 -0.69 -0.63 119.26 118.58 1sqg h ALA 12 Ca 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1sqg h ALA 12 Cb 0.43 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1sqg h ALA 12 CO 0.01 -0.19 0.25 1.96 0.00 0.00 0.00 179.25 181.29 1sqg h GLN 13 N 0.36 1.06 -0.09 0.00 4.20 -1.17 -0.91 115.11 118.57 1sqg h GLN 13 Ca 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1sqg h GLN 13 Cb -0.04 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1sqg h GLN 13 CO -0.02 0.88 -0.01 0.00 -0.67 0.00 0.00 178.83 179.02 1sqg h ALA 14 N 1.24 0.13 -0.86 3.87 0.00 -1.00 -1.65 119.26 120.99 1sqg h ALA 14 Ca 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sqg h ALA 14 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1sqg h ALA 14 CO -0.01 -0.17 0.42 0.28 0.00 0.00 0.00 179.25 179.76 1sqg h VAL 15 N -0.13 1.26 -0.73 0.00 2.07 -1.00 -2.01 116.25 115.71 1sqg h VAL 15 Ca 0.03 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1sqg h VAL 15 Cb 0.38 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1sqg h VAL 15 CO 0.01 0.31 0.47 -0.08 0.02 0.00 0.00 177.57 178.30 1sqg h GLU 16 N 1.22 0.89 -0.82 1.57 4.81 -0.99 -0.15 114.58 121.11 1sqg h GLU 16 Ca 0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1sqg h GLU 16 Cb 0.11 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1sqg h GLU 16 CO -0.04 0.59 0.52 1.96 -0.73 0.00 0.00 179.01 181.31 1sqg h GLN 17 N 0.92 1.10 0.40 1.92 4.20 -0.79 0.13 115.11 122.99 1sqg h GLN 17 Ca 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1sqg h GLN 17 Cb -0.01 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1sqg h GLN 17 CO -0.10 0.76 -0.19 0.28 -0.67 0.00 0.00 178.83 178.90 1sqg h VAL 18 N 1.13 0.50 -0.22 -0.54 2.07 -0.66 -1.41 116.25 117.12 1sqg h VAL 18 Ca 0.30 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1sqg h VAL 18 Cb -0.08 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1sqg h VAL 18 CO -0.06 0.09 -0.48 0.58 0.02 0.00 0.00 177.57 177.71 1sqg h VAL 19 N -0.90 1.31 0.00 2.57 2.07 -0.88 -2.31 116.25 118.12 1sqg h VAL 19 Ca -0.05 -1.70 -0.29 0.00 0.82 0.00 0.00 66.70 65.47 1sqg h VAL 19 Cb 0.55 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1sqg h VAL 19 CO 0.09 0.54 -1.82 -0.62 0.02 0.00 0.00 177.57 175.78 1sqg n GLU 20 N -4.15 0.64 0.00 1.57 -0.58 0.42 -4.55 120.64 113.99 1sqg n GLU 20 Ca -0.06 0.22 0.03 0.00 -0.42 0.00 0.00 57.16 56.94 1sqg n GLU 20 Cb 0.59 -1.74 0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1sqg n GLU 20 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1sqg n GLN 21 N -2.96 0.57 -1.79 3.49 6.02 -0.95 -5.02 117.38 116.74 1sqg n GLN 21 Ca -0.19 -0.82 -0.09 0.00 -0.01 0.00 0.00 57.00 55.89 1sqg n GLN 21 Cb 1.05 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 31.19 1sqg n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqg n GLY 22 N 0.49 0.46 3.85 1.08 0.00 -0.80 -4.96 105.19 105.32 1sqg n GLY 22 Ca 0.04 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1sqg n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqg s GLN 23 N -3.75 3.94 0.17 1.61 -0.21 -0.60 -4.97 119.66 115.86 1sqg s GLN 23 Ca 0.00 0.46 -0.27 0.00 0.02 0.00 0.00 55.36 55.57 1sqg s GLN 23 Cb 0.00 -2.80 -0.08 0.00 1.00 0.00 0.00 33.01 31.13 1sqg s GLN 23 CO 0.00 0.40 0.85 -1.12 -2.12 0.00 0.00 175.29 173.30 1sqg s SER 24 N -1.95 7.47 0.49 5.90 0.01 -1.26 -4.01 113.70 120.35 1sqg s SER 24 Ca 0.42 1.75 0.14 0.00 1.31 0.00 0.00 55.95 59.57 1sqg s SER 24 Cb -0.14 -2.54 1.16 0.00 0.21 0.00 0.00 66.02 64.71 1sqg s SER 24 CO 0.20 0.14 2.11 0.25 0.41 0.00 0.00 173.24 176.35 1sqg h LEU 25 N 4.55 0.14 -2.05 2.44 5.85 -1.97 -0.36 115.31 123.92 1sqg h LEU 25 Ca -0.46 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1sqg h LEU 25 Cb 1.20 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1sqg h LEU 25 CO 0.68 0.10 -0.09 0.77 -0.34 0.00 0.00 178.44 179.56 1sqg h SER 26 N 0.17 0.00 0.22 1.25 4.64 -2.01 -0.25 113.55 117.57 1sqg h SER 26 Ca 0.07 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.05 1sqg h SER 26 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 1sqg h SER 26 CO -0.01 0.09 -2.06 0.59 -0.87 0.00 0.00 176.83 174.56 1sqg n ASN 27 N -3.59 0.96 0.10 4.97 3.02 -0.23 -4.44 115.26 116.05 1sqg n ASN 27 Ca -0.02 0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.53 1sqg n ASN 27 Cb 0.21 0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.31 1sqg n ASN 27 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1sqg h ILE 28 N 0.01 1.29 -0.27 2.41 6.09 -0.96 -3.39 117.51 122.69 1sqg h ILE 28 Ca -0.43 -2.84 -0.01 0.00 -1.37 0.00 0.00 64.86 60.22 1sqg h ILE 28 Cb 2.08 2.90 -0.01 0.00 0.47 0.00 0.00 36.82 42.25 1sqg h ILE 28 CO 0.05 0.85 0.12 -0.07 -3.07 0.00 0.00 178.15 176.03 1sqg h LEU 29 N 0.10 0.35 -0.54 2.19 3.38 -1.28 -3.30 115.31 116.21 1sqg h LEU 29 Ca -0.22 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1sqg h LEU 29 Cb 2.05 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.64 1sqg h LEU 29 CO 0.21 0.39 -0.37 -0.65 0.09 0.00 0.00 178.44 178.11 1sqg h PRO 30 N 0.30 -0.05 -0.59 1.13 0.11 -1.78 0.30 132.00 131.41 1sqg h PRO 30 Ca 0.09 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.35 1sqg h PRO 30 Cb 0.13 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 1sqg h PRO 30 CO -0.01 -0.04 0.41 -1.35 -0.21 0.00 0.00 178.00 176.81 1sqg h PRO 31 N -0.06 0.15 0.00 1.05 0.11 -1.81 -2.18 132.00 129.26 1sqg h PRO 31 Ca 0.09 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1sqg h PRO 31 Cb 0.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1sqg h PRO 31 CO -0.54 0.10 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.21 1sqg h LEU 32 N 0.15 0.05 -2.18 2.35 3.38 -0.86 -3.31 115.31 114.89 1sqg h LEU 32 Ca 0.28 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1sqg h LEU 32 Cb 0.92 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1sqg h LEU 32 CO -0.04 0.84 -0.06 1.56 0.09 0.00 0.00 178.44 180.83 1sqg h GLN 33 N -0.73 0.00 0.00 1.13 4.20 -0.18 -2.73 115.11 116.80 1sqg h GLN 33 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sqg h GLN 33 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1sqg h GLN 33 CO 0.01 0.06 0.00 1.96 -0.67 0.00 0.00 178.83 180.19 1sqg h GLN 34 N 0.00 0.00 0.00 1.46 7.50 -1.49 -2.79 115.11 119.79 1sqg h GLN 34 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1sqg h GLN 34 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 1sqg h GLN 34 CO 0.01 0.00 -0.19 0.87 -1.50 0.00 0.00 178.83 178.01 1sqg h LYS 35 N 0.00 0.00 -6.29 1.46 6.56 -1.64 -3.47 116.57 113.19 1sqg h LYS 35 Ca 0.00 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.98 1sqg h LYS 35 Cb 0.51 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.03 1sqg h LYS 35 CO 0.00 0.06 -0.74 0.14 -2.06 0.00 0.00 179.45 176.85 1sqg s VAL 36 N -3.20 2.76 1.15 0.50 -7.23 -1.05 -5.11 120.40 108.22 1sqg s VAL 36 Ca 0.06 -2.16 -0.15 0.00 -1.81 0.00 0.00 61.98 57.92 1sqg s VAL 36 Cb 0.06 -2.43 0.26 0.00 0.56 0.00 0.00 36.38 34.83 1sqg s VAL 36 CO 0.69 -0.32 1.05 -0.94 -0.31 0.00 0.00 175.10 175.28 1sqg s SER 37 N -3.35 1.27 0.12 4.85 1.04 -1.26 -4.64 113.70 111.72 1sqg s SER 37 Ca 0.28 1.13 -0.20 0.00 0.48 0.00 0.00 55.95 57.65 1sqg s SER 37 Cb -0.06 -1.74 -0.07 0.00 0.10 0.00 0.00 66.02 64.25 1sqg s SER 37 CO 0.15 -3.97 1.75 0.44 0.98 0.00 0.00 173.24 172.60 1sqg h ASP 38 N -2.47 0.09 -0.67 7.02 3.32 -1.98 0.16 116.42 121.89 1sqg h ASP 38 Ca -0.55 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 1sqg h ASP 38 Cb 1.33 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 1sqg h ASP 38 CO 0.48 0.08 0.25 0.11 -1.72 0.00 0.00 179.24 178.44 1sqg h LYS 39 N 0.16 1.01 -0.24 3.56 1.57 -2.00 -1.65 116.57 118.99 1sqg h LYS 39 Ca 0.07 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1sqg h LYS 39 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1sqg h LYS 39 CO -0.06 0.86 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.95 1sqg h ASP 40 N 0.96 0.48 -0.53 0.86 3.32 -1.86 -2.06 116.42 117.58 1sqg h ASP 40 Ca 0.22 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1sqg h ASP 40 Cb 0.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1sqg h ASP 40 CO -0.01 0.75 0.12 0.50 -1.72 0.00 0.00 179.24 178.88 1sqg h LYS 41 N 0.41 0.86 -0.58 3.56 3.64 -0.41 0.12 116.57 124.17 1sqg h LYS 41 Ca 0.05 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1sqg h LYS 41 Cb 0.72 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1sqg h LYS 41 CO 0.06 0.82 0.27 0.00 -2.27 0.00 0.00 179.45 178.33 1sqg h ALA 42 N 1.00 0.75 -0.43 5.00 0.00 -1.11 -0.93 119.26 123.55 1sqg h ALA 42 Ca 0.17 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1sqg h ALA 42 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sqg h ALA 42 CO 0.00 0.32 -0.27 1.25 0.00 0.00 0.00 179.25 180.55 1sqg h LEU 43 N 0.79 0.95 -0.48 0.00 5.85 -1.18 -0.27 115.31 120.96 1sqg h LEU 43 Ca 0.20 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1sqg h LEU 43 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1sqg h LEU 43 CO -0.02 1.16 0.29 0.25 -0.34 0.00 0.00 178.44 179.77 1sqg h LEU 44 N 0.78 0.57 -0.58 2.25 5.85 -0.64 0.12 115.31 123.66 1sqg h LEU 44 Ca 0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1sqg h LEU 44 Cb 0.84 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1sqg h LEU 44 CO 0.07 0.46 0.31 1.56 -0.34 0.00 0.00 178.44 180.50 1sqg h GLN 45 N 0.64 0.82 -0.58 1.25 4.20 -1.05 -1.07 115.11 119.32 1sqg h GLN 45 Ca 0.17 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1sqg h GLN 45 Cb -0.01 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1sqg h GLN 45 CO -0.03 0.64 0.33 1.49 -0.67 0.00 0.00 178.83 180.59 1sqg h GLU 46 N 0.79 0.63 -0.17 1.46 4.57 -0.34 -0.33 114.58 121.19 1sqg h GLU 46 Ca 0.20 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1sqg h GLU 46 Cb 0.07 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1sqg h GLU 46 CO -0.03 0.42 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.14 1sqg h LEU 47 N 0.65 0.30 0.43 1.64 3.38 -0.77 0.52 115.31 121.46 1sqg h LEU 47 Ca 0.25 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sqg h LEU 47 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sqg h LEU 47 CO -0.13 0.55 -0.21 0.00 0.09 0.00 0.00 178.44 178.75 1sqg h PHE 49 N -0.80 1.24 -0.34 0.00 0.04 -1.15 -2.19 116.94 113.74 1sqg h PHE 49 Ca -0.06 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1sqg h PHE 49 Cb 0.54 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1sqg h PHE 49 CO 0.00 0.85 -0.05 0.78 -0.60 0.00 0.00 178.31 179.30 1sqg h GLY 50 N 1.27 0.69 1.06 -1.45 0.00 -0.84 0.16 103.07 103.94 1sqg h GLY 50 Ca 0.32 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1sqg h GLY 50 CO -0.05 0.50 0.02 -2.08 0.00 0.00 0.00 176.54 174.93 1sqg h VAL 51 N 0.43 1.26 -0.62 4.60 2.07 -0.90 -0.71 116.25 122.38 1sqg h VAL 51 Ca 0.09 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1sqg h VAL 51 Cb 0.53 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1sqg h VAL 51 CO 0.03 0.40 0.11 -0.07 0.02 0.00 0.00 177.57 178.05 1sqg h LEU 52 N 0.91 0.96 -0.65 2.57 3.38 -1.24 0.30 115.31 121.54 1sqg h LEU 52 Ca 0.17 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1sqg h LEU 52 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1sqg h LEU 52 CO 0.03 0.96 -0.06 -0.09 0.09 0.00 0.00 178.44 179.36 1sqg h ARG 53 N 0.95 0.99 -0.47 1.13 2.43 -0.20 -3.22 114.38 115.99 1sqg h ARG 53 Ca 0.19 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1sqg h ARG 53 Cb 0.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1sqg h ARG 53 CO 0.01 1.01 0.00 0.25 -1.51 0.00 0.00 179.97 179.73 1sqg n THR 54 N -4.16 1.94 -0.25 0.20 -2.24 -0.32 -4.68 114.28 104.78 1sqg n THR 54 Ca 0.02 -1.39 0.11 0.00 -2.27 0.00 0.00 64.05 60.52 1sqg n THR 54 Cb 0.37 0.03 0.38 0.00 -2.10 0.00 0.00 70.33 69.01 1sqg n THR 54 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sqg h LEU 55 N 3.04 0.65 -0.74 3.22 5.85 -0.95 0.11 115.31 126.50 1sqg h LEU 55 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1sqg h LEU 55 Cb 1.39 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 1sqg h LEU 55 CO 0.22 0.35 0.40 0.28 -0.34 0.00 0.00 178.44 179.35 1sqg h SER 56 N 0.70 0.55 -0.11 1.25 0.02 -1.84 0.11 113.55 114.24 1sqg h SER 56 Ca 0.42 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1sqg h SER 56 Cb 0.63 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1sqg h SER 56 CO -0.18 0.33 -0.15 -0.61 -1.14 0.00 0.00 176.83 175.08 1sqg h GLN 57 N 0.68 0.29 -0.84 3.45 4.15 -1.04 -2.19 115.11 119.61 1sqg h GLN 57 Ca 0.35 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 1sqg h GLN 57 Cb 0.32 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1sqg h GLN 57 CO -0.24 0.74 0.39 -0.07 -1.93 0.00 0.00 178.83 177.72 1sqg h LEU 58 N -0.13 1.11 -0.49 -2.39 3.38 -0.84 -0.25 115.31 115.70 1sqg h LEU 58 Ca 0.01 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1sqg h LEU 58 Cb 0.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1sqg h LEU 58 CO 0.04 0.94 -0.04 -0.78 0.09 0.00 0.00 178.44 178.68 1sqg h ASP 59 N 1.20 0.88 -0.61 -0.43 3.58 -0.87 -0.90 116.42 119.27 1sqg h ASP 59 Ca 0.29 -0.33 0.04 0.00 0.42 0.00 0.00 57.03 57.45 1sqg h ASP 59 Cb 0.13 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1sqg h ASP 59 CO -0.03 1.00 0.35 -0.25 -2.88 0.00 0.00 179.24 177.43 1sqg h TRP 60 N 0.75 0.65 -0.24 0.28 7.01 -0.91 -1.08 115.95 122.40 1sqg h TRP 60 Ca 0.13 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1sqg h TRP 60 Cb 0.57 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1sqg h TRP 60 CO 0.04 0.35 0.04 -0.07 -2.79 0.00 0.00 178.44 176.01 1sqg h LEU 61 N 0.68 0.38 -0.84 0.65 3.38 -0.82 -2.06 115.31 116.68 1sqg h LEU 61 Ca 0.26 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1sqg h LEU 61 Cb 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1sqg h LEU 61 CO -0.13 0.54 0.47 0.40 0.09 0.00 0.00 178.44 179.80 1sqg h ILE 62 N 0.21 0.84 0.00 1.22 1.08 -0.87 -0.58 117.51 119.41 1sqg h ILE 62 Ca 0.07 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 1sqg h ILE 62 Cb 0.32 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1sqg h ILE 62 CO 0.00 0.13 -0.23 0.78 -0.69 0.00 0.00 178.15 178.15 1sqg h ASN 63 N 0.74 0.00 1.35 1.72 2.35 -0.75 0.56 115.58 121.55 1sqg h ASN 63 Ca 0.43 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.08 1sqg h ASN 63 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1sqg h ASN 63 CO -0.29 0.23 -0.67 0.11 -1.65 0.00 0.00 177.43 175.16 1sqg h LYS 64 N 0.00 0.00 0.01 0.81 1.79 -0.57 -3.38 116.57 115.23 1sqg h LYS 64 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1sqg h LYS 64 Cb 0.57 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 1sqg h LYS 64 CO 0.03 0.34 -2.20 1.28 -1.08 0.00 0.00 179.45 177.82 1sqg n LEU 65 N -3.09 0.61 -4.16 2.94 4.77 -0.33 -4.91 117.00 112.83 1sqg n LEU 65 Ca -0.00 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1sqg n LEU 65 Cb 0.71 0.22 -0.16 0.00 -2.33 0.00 0.00 43.42 41.86 1sqg n LEU 65 CO 0.40 0.52 -0.51 -0.04 -1.33 0.00 0.00 177.39 176.44 1sqg s MET 66 N -2.52 3.06 0.31 3.23 -1.94 0.13 -4.98 119.30 116.59 1sqg s MET 66 Ca -0.11 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 1sqg s MET 66 Cb 0.07 -2.62 0.50 0.00 2.01 0.00 0.00 34.83 34.79 1sqg s MET 66 CO 0.81 -0.18 1.91 0.00 -0.01 0.00 0.00 175.02 177.55 1sqg h ALA 67 N 7.87 1.36 -3.27 3.03 0.00 -1.86 -3.36 119.26 123.03 1sqg h ALA 67 Ca -0.43 -0.13 -0.61 0.00 0.00 0.00 0.00 54.91 53.73 1sqg h ALA 67 Cb 1.15 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 1sqg h ALA 67 CO 0.62 0.49 -0.74 1.03 0.00 0.00 0.00 179.25 180.66 1sqg s ARG 68 N -5.45 1.07 0.80 0.00 0.52 -1.26 -5.12 118.95 109.51 1sqg s ARG 68 Ca -0.10 -1.52 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 1sqg s ARG 68 Cb 0.16 -2.42 0.05 0.00 0.52 0.00 0.00 34.95 33.26 1sqg s ARG 68 CO 0.79 -1.01 1.01 -2.30 0.02 0.00 0.00 175.30 173.80 1sqg n PRO 69 N 4.37 0.20 -2.25 3.54 -0.02 -1.26 -4.91 135.00 134.67 1sqg n PRO 69 Ca 0.02 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 1sqg n PRO 69 Cb 0.40 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1sqg n PRO 69 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1sqg s MET 70 N -3.78 4.34 0.33 -0.52 -1.94 -1.26 -5.00 119.30 111.47 1sqg s MET 70 Ca 0.71 1.96 0.05 0.00 -1.71 0.00 0.00 55.69 56.69 1sqg s MET 70 Cb -0.30 -3.38 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 1sqg s MET 70 CO 0.53 -0.44 0.21 0.95 -0.01 0.00 0.00 175.02 176.26 1sqg s THR 71 N 1.54 0.20 0.00 2.05 -4.23 -1.26 -4.45 115.64 109.49 1sqg s THR 71 Ca 0.63 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1sqg s THR 71 Cb -0.33 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1sqg s THR 71 CO 0.29 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1sqg n GLY 72 N -0.64 3.43 0.33 3.99 0.00 -1.26 -0.64 105.19 110.40 1sqg n GLY 72 Ca 0.03 0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.34 1sqg n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqg h LYS 73 N 0.00 0.00 -0.38 1.61 1.57 -2.04 -0.94 116.57 116.38 1sqg h LYS 73 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqg h LYS 73 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sqg h LYS 73 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1sqg n GLN 74 N -2.94 3.26 0.07 3.15 1.13 0.19 -4.66 117.38 117.59 1sqg n GLN 74 Ca -0.02 -2.69 0.05 0.00 -1.94 0.00 0.00 57.00 52.39 1sqg n GLN 74 Cb 0.19 -1.75 0.46 0.00 0.11 0.00 0.00 30.24 29.25 1sqg n GLN 74 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1sqg h ARG 75 N 2.50 0.38 -0.10 -1.09 9.65 -1.15 -0.80 114.38 123.77 1sqg h ARG 75 Ca 0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1sqg h ARG 75 Cb 1.32 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1sqg h ARG 75 CO 0.20 0.29 -0.03 1.15 2.80 0.00 0.00 179.97 184.37 1sqg h THR 76 N 0.39 1.09 -0.60 0.20 2.02 -1.83 -1.78 112.91 112.41 1sqg h THR 76 Ca 0.10 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1sqg h THR 76 Cb 0.02 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1sqg h THR 76 CO -0.02 0.11 0.31 0.58 0.37 0.00 0.00 175.52 176.87 1sqg h VAL 77 N 0.14 1.19 -0.11 3.16 2.07 -1.50 -0.36 116.25 120.84 1sqg h VAL 77 Ca 0.03 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1sqg h VAL 77 Cb 0.15 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1sqg h VAL 77 CO 0.01 0.22 0.01 -0.74 0.02 0.00 0.00 177.57 177.08 1sqg h HIS 78 N 0.83 0.01 -0.16 1.57 6.17 -1.33 -0.49 115.15 121.75 1sqg h HIS 78 Ca 0.21 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.19 1sqg h HIS 78 Cb 0.06 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 1sqg h HIS 78 CO 0.01 -0.00 -0.35 1.88 0.71 0.00 0.00 177.93 180.17 1sqg h TYR 79 N 0.05 0.40 -0.61 5.26 0.05 -1.29 -1.96 116.97 118.87 1sqg h TYR 79 Ca 0.05 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 1sqg h TYR 79 Cb 0.05 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1sqg h TYR 79 CO -0.12 0.66 0.09 1.25 -1.05 0.00 0.00 178.16 178.99 1sqg h LEU 80 N 0.29 0.97 -0.57 3.88 5.85 -0.64 -0.44 115.31 124.65 1sqg h LEU 80 Ca 0.03 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1sqg h LEU 80 Cb 0.76 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1sqg h LEU 80 CO 0.06 0.99 0.30 0.40 -0.34 0.00 0.00 178.44 179.84 1sqg h ILE 81 N 0.91 1.20 -0.76 4.05 2.04 -0.74 -1.68 117.51 122.52 1sqg h ILE 81 Ca 0.18 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1sqg h ILE 81 Cb 0.43 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1sqg h ILE 81 CO 0.01 0.22 0.47 0.24 0.00 0.00 0.00 178.15 179.09 1sqg h MET 82 N 0.77 1.03 -0.86 2.37 2.86 -0.98 0.15 114.93 120.27 1sqg h MET 82 Ca 0.20 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1sqg h MET 82 Cb 0.08 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 1sqg h MET 82 CO -0.03 0.71 0.48 0.28 1.06 0.00 0.00 176.91 179.41 1sqg h VAL 83 N 1.05 1.25 -0.03 -2.22 2.07 -0.63 0.89 116.25 118.61 1sqg h VAL 83 Ca 0.28 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1sqg h VAL 83 Cb -0.06 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1sqg h VAL 83 CO -0.05 0.27 0.02 1.23 0.02 0.00 0.00 177.57 179.05 1sqg h GLY 84 N 1.21 0.05 1.02 2.17 0.00 -0.33 -2.26 103.07 104.92 1sqg h GLY 84 Ca 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1sqg h GLY 84 CO -0.05 0.02 0.58 1.41 0.00 0.00 0.00 176.54 178.50 1sqg h LEU 85 N -0.05 1.13 -0.76 3.11 3.38 -0.50 -1.89 115.31 119.73 1sqg h LEU 85 Ca 0.01 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1sqg h LEU 85 Cb 0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1sqg h LEU 85 CO -0.00 0.86 0.44 0.22 0.09 0.00 0.00 178.44 180.05 1sqg h TYR 86 N 1.30 0.82 -0.72 1.13 3.20 -0.63 -0.93 116.97 121.13 1sqg h TYR 86 Ca 0.34 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 1sqg h TYR 86 Cb -0.07 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1sqg h TYR 86 CO 0.00 0.40 0.31 1.96 -1.64 0.00 0.00 178.16 179.20 1sqg h GLN 87 N 0.81 1.07 -0.20 1.82 4.20 -0.76 0.35 115.11 122.40 1sqg h GLN 87 Ca 0.34 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1sqg h GLN 87 Cb 0.19 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1sqg h GLN 87 CO -0.18 0.86 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.56 1sqg h LEU 88 N 1.03 0.35 0.06 1.46 3.38 -0.97 -2.65 115.31 117.96 1sqg h LEU 88 Ca 0.24 -0.10 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 1sqg h LEU 88 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1sqg h LEU 88 CO -0.02 0.58 -1.82 -0.07 0.09 0.00 0.00 178.44 177.19 1sqg h LEU 89 N 0.33 0.20 -1.40 1.67 3.38 -0.85 -3.43 115.31 115.21 1sqg h LEU 89 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1sqg h LEU 89 Cb 0.56 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sqg h LEU 89 CO 0.04 1.39 0.00 -1.22 0.09 0.00 0.00 178.44 178.74 1sqg n TYR 90 N -3.25 0.00 -4.45 1.13 4.01 0.08 -5.05 117.16 109.63 1sqg n TYR 90 Ca -0.23 -0.14 -0.22 0.00 -0.16 0.00 0.00 57.90 57.15 1sqg n TYR 90 Cb 1.05 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.97 1sqg n TYR 90 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1sqg s THR 91 N -0.28 0.95 -0.49 -0.72 -4.23 -1.00 -5.01 115.64 104.86 1sqg s THR 91 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1sqg s THR 91 Cb 0.00 -2.65 0.67 0.00 1.34 0.00 0.00 72.50 71.85 1sqg s THR 91 CO 0.00 0.00 1.58 0.54 -0.54 0.00 0.00 174.62 176.20 1sqg n ARG 92 N -0.72 3.84 -1.92 3.99 1.74 -1.26 -4.76 116.66 117.58 1sqg n ARG 92 Ca -0.03 -2.91 -0.42 0.00 -0.77 0.00 0.00 57.85 53.72 1sqg n ARG 92 Cb 0.66 -1.97 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1sqg n ARG 92 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sqg s ILE 93 N -2.43 2.53 -0.02 0.55 1.01 -1.26 -4.85 121.20 116.73 1sqg s ILE 93 Ca 0.47 0.39 -0.37 0.00 0.00 0.00 0.00 60.65 61.14 1sqg s ILE 93 Cb 0.35 -3.25 -0.16 0.00 0.01 0.00 0.00 42.46 39.41 1sqg s ILE 93 CO 0.16 0.04 1.52 -2.65 0.00 0.00 0.00 174.94 174.00 1sqg n PRO 94 N 3.54 1.32 -0.34 2.79 -0.02 -1.26 -4.68 135.00 136.35 1sqg n PRO 94 Ca 0.12 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1sqg n PRO 94 Cb 0.38 -2.16 0.34 0.00 -0.02 0.00 0.00 33.50 32.04 1sqg n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sqg h PRO 95 N 5.77 0.73 -0.37 0.52 0.11 -1.95 0.10 132.00 136.91 1sqg h PRO 95 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1sqg h PRO 95 Cb 1.32 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1sqg h PRO 95 CO 0.85 0.48 0.04 1.12 -0.21 0.00 0.00 178.00 180.28 1sqg h HIS 96 N 0.75 0.58 -0.02 0.65 2.07 -1.99 0.13 115.15 117.32 1sqg h HIS 96 Ca 0.55 -0.05 -0.26 0.00 -2.85 0.00 0.00 60.37 57.76 1sqg h HIS 96 Cb 0.87 -0.17 0.02 0.00 2.57 0.00 0.00 27.41 30.70 1sqg h HIS 96 CO -0.00 0.54 -1.00 0.00 -3.07 0.00 0.00 177.93 174.40 1sqg h ALA 97 N 1.50 0.15 -0.56 6.11 0.00 -1.25 -1.01 119.26 124.20 1sqg h ALA 97 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1sqg h ALA 97 Cb 0.29 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1sqg h ALA 97 CO 0.01 0.68 0.37 0.00 0.00 0.00 0.00 179.25 180.31 1sqg h ALA 98 N 0.42 0.72 -0.19 0.00 0.00 -0.55 -1.01 119.26 118.64 1sqg h ALA 98 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sqg h ALA 98 Cb 1.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1sqg h ALA 98 CO 0.20 0.15 0.06 -0.07 0.00 0.00 0.00 179.25 179.59 1sqg h LEU 99 N 0.76 0.27 -0.47 0.00 4.07 -0.68 -1.81 115.31 117.44 1sqg h LEU 99 Ca 0.21 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1sqg h LEU 99 Cb -0.08 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.56 1sqg h LEU 99 CO -0.05 0.39 0.29 0.00 -1.08 0.00 0.00 178.44 177.99 1sqg h ALA 100 N 0.89 0.60 -0.27 1.53 0.00 -0.90 -0.53 119.26 120.59 1sqg h ALA 100 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1sqg h ALA 100 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sqg h ALA 100 CO -0.00 -0.01 -0.36 0.93 0.00 0.00 0.00 179.25 179.81 1sqg h GLU 101 N 0.58 0.60 -0.27 0.00 4.39 -1.13 -1.15 114.58 117.59 1sqg h GLU 101 Ca 0.19 -0.28 -0.16 0.00 0.34 0.00 0.00 59.36 59.44 1sqg h GLU 101 Cb -0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1sqg h GLU 101 CO -0.07 0.86 -0.46 1.15 -1.16 0.00 0.00 179.01 179.33 1sqg h THR 102 N 0.50 1.29 -0.43 1.13 2.02 -0.99 -2.36 112.91 114.07 1sqg h THR 102 Ca 0.05 -1.65 -0.04 0.00 0.77 0.00 0.00 66.41 65.54 1sqg h THR 102 Cb 0.85 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1sqg h THR 102 CO 0.07 0.53 0.11 0.58 0.37 0.00 0.00 175.52 177.19 1sqg h VAL 103 N 0.54 1.23 0.00 3.16 2.07 -1.00 -1.90 116.25 120.35 1sqg h VAL 103 Ca 0.02 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1sqg h VAL 103 Cb 1.06 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1sqg h VAL 103 CO 0.10 0.27 -0.06 -0.08 0.02 0.00 0.00 177.57 177.83 1sqg h GLU 104 N 0.55 0.00 0.00 1.57 4.57 -1.18 -1.59 114.58 118.50 1sqg h GLU 104 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1sqg h GLU 104 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1sqg h GLU 104 CO -0.00 0.06 0.00 0.78 -1.18 0.00 0.00 179.01 178.67 1sqg h GLY 105 N 0.41 0.00 2.00 1.92 0.00 -0.78 -1.17 103.07 105.45 1sqg h GLY 105 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1sqg h GLY 105 CO 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.51 1sqg h ALA 106 N 2.00 1.66 -0.18 3.60 0.00 -1.37 -2.87 119.26 122.10 1sqg h ALA 106 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1sqg h ALA 106 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sqg h ALA 106 CO 0.00 0.05 -0.73 0.97 0.00 0.00 0.00 179.25 179.54 1sqg h ILE 107 N 0.00 1.28 0.00 0.00 6.09 -1.43 -0.70 117.51 122.75 1sqg h ILE 107 Ca -0.00 -1.92 -0.07 0.00 -1.37 0.00 0.00 64.86 61.50 1sqg h ILE 107 Cb 0.08 1.93 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 1sqg h ILE 107 CO 0.01 0.61 -0.32 0.00 -3.07 0.00 0.00 178.15 175.38 1sqg h ALA 108 N 0.57 1.08 -0.29 0.18 0.00 -1.69 -1.78 119.26 117.33 1sqg h ALA 108 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sqg h ALA 108 Cb 1.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sqg h ALA 108 CO 0.15 0.40 0.00 0.44 0.00 0.00 0.00 179.25 180.25 1sqg n ILE 109 N -3.59 0.78 -2.47 0.00 -5.35 -1.10 -4.90 119.36 102.72 1sqg n ILE 109 Ca -0.01 -0.51 -0.21 0.00 -0.27 0.00 0.00 62.75 61.76 1sqg n ILE 109 Cb 0.45 -0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1sqg n ILE 109 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sqg n LYS 110 N 0.36 -2.06 -2.72 6.28 4.76 -0.67 -4.92 118.16 119.19 1sqg n LYS 110 Ca 0.11 1.00 -0.19 0.00 -2.87 0.00 0.00 58.31 56.36 1sqg n LYS 110 Cb 0.45 -5.68 0.00 0.00 -1.84 0.00 0.00 35.03 27.96 1sqg n LYS 110 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sqg n ARG 111 N -3.13 2.16 0.28 1.97 5.12 -0.28 -4.92 116.66 117.86 1sqg n ARG 111 Ca -0.23 -3.90 0.16 0.00 -1.93 0.00 0.00 57.85 51.95 1sqg n ARG 111 Cb 0.68 -1.78 0.83 0.00 -1.16 0.00 0.00 32.46 31.03 1sqg n ARG 111 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1sqg h PRO 112 N 2.86 0.00 0.00 5.56 0.13 -1.82 -0.60 132.00 138.13 1sqg h PRO 112 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sqg h PRO 112 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1sqg h PRO 112 CO 0.66 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1sqg n GLN 113 N -3.37 0.00 -0.19 0.86 0.00 -1.26 -2.69 117.38 110.74 1sqg n GLN 113 Ca -0.01 0.25 0.11 0.00 0.00 0.00 0.00 57.00 57.34 1sqg n GLN 113 Cb 0.22 -1.50 0.26 0.00 0.00 0.00 0.00 30.24 29.22 1sqg n GLN 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sqg n LEU 114 N -1.50 3.01 -0.17 2.61 7.99 -0.23 -4.46 117.00 124.25 1sqg n LEU 114 Ca 0.04 -1.33 -0.02 0.00 -0.01 0.00 0.00 56.01 54.69 1sqg n LEU 114 Cb 0.17 -0.25 0.08 0.00 -0.11 0.00 0.00 43.42 43.31 1sqg n LEU 114 CO 0.13 0.67 0.92 0.11 -1.51 0.00 0.00 177.39 177.71 1sqg h LYS 115 N 3.77 0.26 -0.89 3.23 1.57 -1.68 -1.11 116.57 121.72 1sqg h LYS 115 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sqg h LYS 115 Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1sqg h LYS 115 CO 0.00 0.17 0.52 0.78 -0.57 0.00 0.00 179.45 180.35 1sqg h GLY 116 N 0.26 1.30 0.96 3.86 0.00 -1.86 -0.58 103.07 107.01 1sqg h GLY 116 Ca 0.26 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1sqg h GLY 116 CO -0.33 0.54 0.03 -2.00 0.00 0.00 0.00 176.54 174.78 1sqg h LEU 117 N 1.23 0.71 -0.11 3.11 6.46 -1.70 0.08 115.31 125.09 1sqg h LEU 117 Ca 0.32 -0.29 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1sqg h LEU 117 Cb -0.02 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1sqg h LEU 117 CO -0.06 0.82 0.06 0.40 -0.62 0.00 0.00 178.44 179.05 1sqg h ILE 118 N 0.58 1.06 -0.35 4.05 2.04 -0.80 0.16 117.51 124.25 1sqg h ILE 118 Ca 0.12 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1sqg h ILE 118 Cb 0.44 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1sqg h ILE 118 CO 0.02 0.06 0.18 -1.13 0.00 0.00 0.00 178.15 177.27 1sqg h ASN 119 N 0.11 0.27 -0.50 1.72 -1.24 -1.08 -1.52 115.58 113.34 1sqg h ASN 119 Ca 0.04 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.08 1sqg h ASN 119 Cb 0.04 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1sqg h ASN 119 CO -0.01 0.20 0.30 1.23 -1.29 0.00 0.00 177.43 177.86 1sqg h GLY 120 N 0.37 0.70 0.95 1.57 0.00 -0.43 0.11 103.07 106.34 1sqg h GLY 120 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1sqg h GLY 120 CO -0.10 0.20 0.06 -2.08 0.00 0.00 0.00 176.54 174.62 1sqg h VAL 121 N 0.60 1.25 -0.38 4.60 2.07 -0.48 0.53 116.25 124.44 1sqg h VAL 121 Ca 0.20 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 1sqg h VAL 121 Cb 0.01 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1sqg h VAL 121 CO -0.08 0.31 -0.18 -0.07 0.02 0.00 0.00 177.57 177.57 1sqg h LEU 122 N 0.56 0.72 -0.61 2.57 3.38 -1.02 -1.27 115.31 119.64 1sqg h LEU 122 Ca 0.13 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1sqg h LEU 122 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1sqg h LEU 122 CO 0.01 0.90 -0.03 0.03 0.09 0.00 0.00 178.44 179.44 1sqg h ARG 123 N 0.64 1.06 -0.86 1.13 2.47 -0.57 -1.16 114.38 117.08 1sqg h ARG 123 Ca 0.10 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1sqg h ARG 123 Cb 0.66 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 1sqg h ARG 123 CO 0.05 1.06 0.55 0.37 0.56 0.00 0.00 179.97 182.55 1sqg h GLN 124 N 0.96 1.15 -0.63 0.04 4.15 -0.52 0.96 115.11 121.22 1sqg h GLN 124 Ca 0.16 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1sqg h GLN 124 Cb 0.60 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1sqg h GLN 124 CO 0.04 0.79 0.37 0.35 -1.93 0.00 0.00 178.83 178.45 1sqg h PHE 125 N 1.18 0.84 -0.81 3.99 3.04 -0.99 -0.68 116.94 123.51 1sqg h PHE 125 Ca 0.31 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.28 1sqg h PHE 125 Cb -0.09 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.10 1sqg h PHE 125 CO -0.01 0.58 0.52 1.96 -2.02 0.00 0.00 178.31 179.35 1sqg h GLN 126 N 0.86 1.00 -0.13 1.11 4.20 -0.04 0.67 115.11 122.78 1sqg h GLN 126 Ca 0.23 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1sqg h GLN 126 Cb -0.01 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1sqg h GLN 126 CO -0.04 0.66 -0.13 0.00 -0.67 0.00 0.00 178.83 178.66 1sqg h ARG 127 N 1.03 0.20 -0.13 1.46 3.08 -0.10 -3.23 114.38 116.70 1sqg h ARG 127 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1sqg h ARG 127 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1sqg h ARG 127 CO -0.10 0.34 0.00 1.04 -1.07 0.00 0.00 179.97 180.18 1sqg n GLN 128 N -4.29 1.76 -0.21 0.04 6.02 -0.33 -4.79 117.38 115.58 1sqg n GLN 128 Ca -0.01 -1.47 -0.02 0.00 -0.01 0.00 0.00 57.00 55.49 1sqg n GLN 128 Cb 0.26 -1.15 0.04 0.00 1.02 0.00 0.00 30.24 30.41 1sqg n GLN 128 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1sqg h GLN 129 N 1.26 -0.08 0.11 -1.09 4.15 0.32 -2.06 115.11 117.72 1sqg h GLN 129 Ca 0.00 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1sqg h GLN 129 Cb 0.50 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1sqg h GLN 129 CO 0.00 -0.05 -0.37 1.49 -1.93 0.00 0.00 178.83 177.97 1sqg h GLU 130 N -0.08 -0.57 -0.28 1.69 4.81 -1.85 -1.04 114.58 117.25 1sqg h GLU 130 Ca 0.28 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1sqg h GLU 130 Cb 0.52 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1sqg h GLU 130 CO -0.67 -0.38 -0.38 1.05 -0.73 0.00 0.00 179.01 177.90 1sqg h GLU 131 N -0.59 0.64 -0.50 1.92 9.09 -1.90 -2.69 114.58 120.54 1sqg h GLU 131 Ca 0.03 -0.32 -0.04 0.00 0.05 0.00 0.00 59.36 59.08 1sqg h GLU 131 Cb 0.63 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.71 1sqg h GLU 131 CO -0.22 0.92 0.13 -0.07 0.05 0.00 0.00 179.01 179.81 1sqg h LEU 132 N 0.53 0.70 -0.23 3.06 3.38 -1.13 -1.76 115.31 119.87 1sqg h LEU 132 Ca 0.05 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1sqg h LEU 132 Cb 0.89 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sqg h LEU 132 CO 0.08 0.69 -0.84 -0.07 0.09 0.00 0.00 178.44 178.38 1sqg h LEU 133 N 0.74 0.66 -0.66 1.67 3.38 -1.06 -0.62 115.31 119.42 1sqg h LEU 133 Ca 0.17 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1sqg h LEU 133 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1sqg h LEU 133 CO -0.00 1.25 0.20 0.00 0.09 0.00 0.00 178.44 179.98 1sqg h ALA 134 N 0.72 0.86 -0.52 1.53 0.00 -1.30 -1.16 119.26 119.40 1sqg h ALA 134 Ca -0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1sqg h ALA 134 Cb 1.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1sqg h ALA 134 CO 0.15 0.54 -0.07 1.49 0.00 0.00 0.00 179.25 181.37 1sqg h GLU 135 N 0.95 0.96 -0.76 0.00 4.81 -1.26 -3.10 114.58 116.19 1sqg h GLU 135 Ca 0.21 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1sqg h GLU 135 Cb 0.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1sqg h GLU 135 CO -0.01 1.01 0.48 0.35 -0.73 0.00 0.00 179.01 180.11 1sqg h PHE 136 N 0.83 0.97 0.00 0.92 3.57 -0.71 -2.16 116.94 120.36 1sqg h PHE 136 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1sqg h PHE 136 Cb 0.62 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1sqg h PHE 136 CO 0.04 0.64 0.00 0.09 -2.23 0.00 0.00 178.31 176.85 1sqg n ASN 137 N -4.53 0.00 -0.68 0.41 3.02 -0.47 -1.16 115.26 111.85 1sqg n ASN 137 Ca 0.07 -0.26 0.10 0.00 -0.03 0.00 0.00 54.58 54.46 1sqg n ASN 137 Cb 0.04 -0.14 0.06 0.00 -0.61 0.00 0.00 39.78 39.12 1sqg n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqg n ALA 138 N -1.14 2.75 -2.89 5.41 0.00 -0.82 -4.98 120.51 118.84 1sqg n ALA 138 Ca 0.11 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 1sqg n ALA 138 Cb 0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1sqg n ALA 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sqg s SER 139 N -1.83 6.27 0.44 0.00 1.04 -0.31 -5.00 113.70 114.31 1sqg s SER 139 Ca 0.21 0.03 0.30 0.00 0.48 0.00 0.00 55.95 56.97 1sqg s SER 139 Cb 0.16 -1.76 1.29 0.00 0.10 0.00 0.00 66.02 65.81 1sqg s SER 139 CO 0.33 -0.13 1.90 0.44 0.98 0.00 0.00 173.24 176.76 1sqg h ASP 140 N 1.13 0.00 0.31 7.02 3.32 -1.95 -2.30 116.42 123.95 1sqg h ASP 140 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1sqg h ASP 140 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1sqg h ASP 140 CO 0.60 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 1sqg n ALA 141 N -1.96 1.30 0.30 3.45 0.00 -1.26 -2.45 120.51 119.88 1sqg n ALA 141 Ca 0.01 0.16 0.18 0.00 0.00 0.00 0.00 53.44 53.79 1sqg n ALA 141 Cb 0.25 -1.36 0.76 0.00 0.00 0.00 0.00 19.45 19.11 1sqg n ALA 141 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1sqg h ARG 142 N 0.00 0.00 0.00 0.00 0.11 -1.60 -0.71 114.38 112.18 1sqg h ARG 142 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sqg h ARG 142 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1sqg h ARG 142 CO 0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1sqg n TYR 143 N -2.95 0.00 -1.59 4.08 4.01 -1.03 -4.92 117.16 114.77 1sqg n TYR 143 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1sqg n TYR 143 Cb 0.24 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 38.88 1sqg n TYR 143 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sqg n LEU 144 N -1.31 -1.41 -4.40 7.72 4.77 -0.27 -4.89 117.00 117.20 1sqg n LEU 144 Ca 0.12 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 56.24 1sqg n LEU 144 Cb 0.22 -2.66 -0.14 0.00 -2.33 0.00 0.00 43.42 38.51 1sqg n LEU 144 CO 0.21 -0.97 -0.51 -1.00 -1.33 0.00 0.00 177.39 173.79 1sqg s HIS 145 N -2.72 2.50 0.62 -1.77 3.76 -1.26 -4.69 115.29 111.72 1sqg s HIS 145 Ca 0.00 -0.30 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 1sqg s HIS 145 Cb 0.00 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 1sqg s HIS 145 CO 0.00 0.13 1.24 -1.25 -0.85 0.00 0.00 174.74 174.01 1sqg s PRO 146 N -0.96 2.81 0.23 8.40 0.04 -1.26 -4.67 135.00 139.59 1sqg s PRO 146 Ca 0.12 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1sqg s PRO 146 Cb -0.10 -1.90 0.40 0.00 0.04 0.00 0.00 34.50 32.94 1sqg s PRO 146 CO 0.02 -1.36 1.72 1.03 0.04 0.00 0.00 177.00 178.44 1sqg h SER 147 N 0.73 0.16 -1.00 6.66 0.87 -1.98 -0.77 113.55 118.21 1sqg h SER 147 Ca -0.51 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.23 1sqg h SER 147 Cb 1.31 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.33 1sqg h SER 147 CO 0.54 0.06 0.65 4.11 -0.53 0.00 0.00 176.83 181.66 1sqg h TRP 148 N 0.36 1.21 0.20 2.24 5.08 -2.00 0.02 115.95 123.05 1sqg h TRP 148 Ca 0.38 0.03 -0.29 0.00 1.08 0.00 0.00 58.89 60.09 1sqg h TRP 148 Cb 0.58 -0.40 0.03 0.00 -3.00 0.00 0.00 29.16 26.38 1sqg h TRP 148 CO -0.20 0.63 -1.27 1.25 -1.28 0.00 0.00 178.44 177.56 1sqg h LEU 149 N 1.18 0.77 -0.53 0.11 5.85 -1.74 -2.22 115.31 118.74 1sqg h LEU 149 Ca 0.43 -0.90 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1sqg h LEU 149 Cb 0.16 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1sqg h LEU 149 CO -0.17 1.61 0.24 0.25 -0.34 0.00 0.00 178.44 180.03 1sqg h LEU 150 N 0.06 0.32 -0.73 2.25 5.85 -0.87 -0.71 115.31 121.48 1sqg h LEU 150 Ca -0.21 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1sqg h LEU 150 Cb 1.98 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 1sqg h LEU 150 CO 0.24 0.21 0.21 0.11 -0.34 0.00 0.00 178.44 178.87 1sqg h LYS 151 N 0.46 1.14 -0.91 1.25 6.56 -1.04 0.17 116.57 124.21 1sqg h LYS 151 Ca 0.25 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1sqg h LYS 151 Cb 0.20 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.66 1sqg h LYS 151 CO -0.20 0.99 0.52 0.00 -2.06 0.00 0.00 179.45 178.69 1sqg h ARG 152 N 1.09 1.26 -0.25 3.15 3.08 -0.77 -0.68 114.38 121.26 1sqg h ARG 152 Ca 0.23 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1sqg h ARG 152 Cb 0.34 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1sqg h ARG 152 CO -0.00 0.91 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.25 1sqg h LEU 153 N 1.27 0.72 -0.98 3.04 3.38 -0.62 -1.29 115.31 120.83 1sqg h LEU 153 Ca 0.32 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1sqg h LEU 153 Cb -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1sqg h LEU 153 CO -0.06 1.08 0.01 1.56 0.09 0.00 0.00 178.44 181.13 1sqg h GLN 154 N 0.53 0.75 -0.05 1.13 4.20 -0.56 0.11 115.11 121.21 1sqg h GLN 154 Ca 0.03 -0.19 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 1sqg h GLN 154 Cb 1.03 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1sqg h GLN 154 CO 0.10 0.75 -0.79 -0.22 -0.67 0.00 0.00 178.83 178.00 1sqg h LYS 155 N 0.70 0.62 0.00 1.46 3.64 -0.96 -3.17 116.57 118.86 1sqg h LYS 155 Ca 0.14 -0.60 -0.18 0.00 -1.27 0.00 0.00 60.65 58.74 1sqg h LYS 155 Cb 0.42 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1sqg h LYS 155 CO 0.02 1.22 -0.84 0.00 -2.27 0.00 0.00 179.45 177.57 1sqg h ALA 156 N 0.42 0.61 -2.28 5.00 0.00 -1.12 -3.38 119.26 118.52 1sqg h ALA 156 Ca -0.09 -0.76 -0.59 0.00 0.00 0.00 0.00 54.91 53.48 1sqg h ALA 156 Cb 1.46 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 1sqg h ALA 156 CO 0.16 1.04 -0.84 0.66 0.00 0.00 0.00 179.25 180.27 1sqg n TYR 157 N -3.55 1.44 0.12 0.00 4.02 0.37 -4.96 117.16 114.60 1sqg n TYR 157 Ca -0.01 -3.83 0.10 0.00 -0.01 0.00 0.00 57.90 54.15 1sqg n TYR 157 Cb 0.80 -0.37 0.60 0.00 -0.02 0.00 0.00 39.34 40.35 1sqg n TYR 157 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1sqg h PRO 158 N 4.51 0.14 0.00 -0.72 0.11 -1.74 -0.77 132.00 133.53 1sqg h PRO 158 Ca 0.16 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.94 1sqg h PRO 158 Cb 0.79 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 1sqg h PRO 158 CO 0.61 0.09 -1.90 -1.91 -0.21 0.00 0.00 178.00 174.68 1sqg n GLU 159 N -4.49 0.65 -0.02 1.05 4.07 -1.26 -4.59 120.64 116.05 1sqg n GLU 159 Ca 0.02 0.21 0.05 0.00 -0.06 0.00 0.00 57.16 57.39 1sqg n GLU 159 Cb 0.22 -1.72 0.06 0.00 -0.06 0.00 0.00 31.44 29.94 1sqg n GLU 159 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1sqg n GLN 160 N -2.97 0.77 -0.22 5.31 6.02 -1.00 -4.70 117.38 120.59 1sqg n GLN 160 Ca -0.22 -1.24 0.04 0.00 -0.01 0.00 0.00 57.00 55.58 1sqg n GLN 160 Cb 1.08 -1.21 0.30 0.00 1.02 0.00 0.00 30.24 31.43 1sqg n GLN 160 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sqg h TRP 161 N 2.03 0.88 -0.55 1.08 5.08 -1.40 -1.32 115.95 121.75 1sqg h TRP 161 Ca 0.00 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.93 1sqg h TRP 161 Cb 0.47 -0.29 -0.02 0.00 -3.00 0.00 0.00 29.16 26.32 1sqg h TRP 161 CO 0.03 0.49 0.11 1.96 -1.28 0.00 0.00 178.44 179.75 1sqg h GLN 162 N 0.89 0.89 -0.20 0.12 7.50 -1.86 -1.26 115.11 121.19 1sqg h GLN 162 Ca 0.32 -0.23 -0.07 0.00 0.50 0.00 0.00 58.65 59.17 1sqg h GLN 162 Cb 0.15 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1sqg h GLN 162 CO -0.10 0.85 -0.19 0.66 -1.50 0.00 0.00 178.83 178.54 1sqg h SER 163 N 0.79 0.34 0.11 1.46 4.64 -1.70 -0.88 113.55 118.31 1sqg h SER 163 Ca 0.17 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1sqg h SER 163 Cb 0.38 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1sqg h SER 163 CO 0.01 0.55 -0.05 0.40 -0.87 0.00 0.00 176.83 176.87 1sqg h ILE 164 N 0.32 1.07 -0.65 0.95 2.04 -0.88 -0.84 117.51 119.52 1sqg h ILE 164 Ca 0.06 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1sqg h ILE 164 Cb 0.53 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1sqg h ILE 164 CO 0.03 0.20 0.32 -0.37 0.00 0.00 0.00 178.15 178.33 1sqg h VAL 165 N -0.55 1.21 -0.67 1.67 -1.51 -1.15 0.13 116.25 115.37 1sqg h VAL 165 Ca -0.02 -0.58 -0.02 0.00 -1.23 0.00 0.00 66.70 64.85 1sqg h VAL 165 Cb 0.44 0.37 -0.03 0.00 -2.13 0.00 0.00 31.29 29.94 1sqg h VAL 165 CO 0.03 0.25 0.34 -0.08 -1.23 0.00 0.00 177.57 176.87 1sqg h GLU 166 N 0.92 0.96 -0.38 5.19 4.22 -1.09 -1.71 114.58 122.68 1sqg h GLU 166 Ca 0.23 -0.13 -0.13 0.00 0.08 0.00 0.00 59.36 59.41 1sqg h GLU 166 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1sqg h GLU 166 CO -0.03 0.75 -0.27 0.00 -2.18 0.00 0.00 179.01 177.27 1sqg h ALA 167 N 1.16 0.79 -0.01 2.92 0.00 -0.61 -2.19 119.26 121.32 1sqg h ALA 167 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sqg h ALA 167 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sqg h ALA 167 CO -0.03 0.65 0.01 -0.91 0.00 0.00 0.00 179.25 178.96 1sqg h ASN 168 N 0.69 0.00 0.37 0.00 2.35 -0.51 -2.61 115.58 115.88 1sqg h ASN 168 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1sqg h ASN 168 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1sqg h ASN 168 CO 0.07 0.00 -0.39 0.59 -1.65 0.00 0.00 177.43 176.05 1sqg n ASN 169 N -4.35 0.75 -4.83 5.81 3.02 -0.69 -3.38 115.26 111.59 1sqg n ASN 169 Ca -0.03 -0.55 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 1sqg n ASN 169 Cb 0.10 0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.50 1sqg n ASN 169 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1sqg s GLN 170 N -2.76 3.13 0.19 3.52 -0.21 -0.98 -5.01 119.66 117.54 1sqg s GLN 170 Ca 0.17 0.90 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 1sqg s GLN 170 Cb 0.18 -2.02 -0.08 0.00 1.00 0.00 0.00 33.01 32.09 1sqg s GLN 170 CO 0.62 -0.94 1.27 1.03 -2.12 0.00 0.00 175.29 175.14 1sqg s ARG 171 N -5.07 4.42 0.38 2.91 0.52 -1.26 -4.83 118.95 116.02 1sqg s ARG 171 Ca 0.57 1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 57.52 1sqg s ARG 171 Cb -0.13 -3.21 -0.09 0.00 0.52 0.00 0.00 34.95 32.04 1sqg s ARG 171 CO 0.55 -0.20 1.07 -1.25 0.02 0.00 0.00 175.30 175.49 1sqg s PRO 172 N -0.15 4.23 0.41 3.54 0.04 -1.26 -5.02 135.00 136.80 1sqg s PRO 172 Ca 0.55 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.95 1sqg s PRO 172 Cb -0.35 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 1sqg s PRO 172 CO 0.38 -0.10 1.12 -1.25 0.04 0.00 0.00 177.00 177.19 1sqg s PRO 173 N -2.29 4.03 -0.57 0.56 0.04 -1.26 -4.96 135.00 130.55 1sqg s PRO 173 Ca 0.55 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1sqg s PRO 173 Cb -0.25 -2.56 0.06 0.00 0.04 0.00 0.00 34.50 31.79 1sqg s PRO 173 CO 0.31 -0.30 0.83 1.41 0.04 0.00 0.00 177.00 179.29 1sqg s MET 174 N -2.46 3.18 -0.02 4.56 1.75 -1.26 -5.02 119.30 120.04 1sqg s MET 174 Ca 0.59 -0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 54.17 1sqg s MET 174 Cb -0.27 -4.13 -0.06 0.00 2.84 0.00 0.00 34.83 33.21 1sqg s MET 174 CO 0.33 -1.50 0.41 -1.58 -0.65 0.00 0.00 175.02 172.04 1sqg s TRP 175 N 3.46 3.70 0.19 4.11 0.52 -1.26 -1.52 118.94 128.14 1sqg s TRP 175 Ca 0.22 0.97 0.11 0.00 0.02 0.00 0.00 56.10 57.42 1sqg s TRP 175 Cb -0.17 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1sqg s TRP 175 CO 0.13 0.58 -0.23 -0.51 0.02 0.00 0.00 176.95 176.95 1sqg s LEU 176 N -0.86 2.44 -0.18 2.99 1.43 0.80 -1.82 118.68 123.48 1sqg s LEU 176 Ca 0.24 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1sqg s LEU 176 Cb -0.16 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1sqg s LEU 176 CO 0.13 0.09 -0.18 -0.60 0.23 0.00 0.00 176.35 176.02 1sqg s ARG 177 N -2.73 2.74 -0.09 1.70 3.52 0.16 -1.37 118.95 122.88 1sqg s ARG 177 Ca 0.20 -0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 54.70 1sqg s ARG 177 Cb -0.07 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 1sqg s ARG 177 CO 0.09 -0.26 0.87 0.42 -0.81 0.00 0.00 175.30 175.61 1sqg s ILE 178 N 1.31 4.90 -0.50 4.11 -1.09 0.84 -1.54 121.20 129.23 1sqg s ILE 178 Ca 0.03 1.77 -0.28 0.00 -2.23 0.00 0.00 60.65 59.95 1sqg s ILE 178 Cb -0.14 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1sqg s ILE 178 CO -0.12 0.10 1.66 0.21 -1.23 0.00 0.00 174.94 175.57 1sqg s ASN 179 N 1.03 5.82 0.34 3.58 3.84 -0.40 -4.86 114.94 124.28 1sqg s ASN 179 Ca 0.43 0.64 0.24 0.00 0.21 0.00 0.00 52.86 54.39 1sqg s ASN 179 Cb -0.18 -2.53 1.23 0.00 -0.55 0.00 0.00 41.25 39.21 1sqg s ASN 179 CO 0.18 -1.88 1.74 0.08 -2.79 0.00 0.00 177.10 174.43 1sqg h ARG 180 N 12.71 0.00 0.00 0.43 0.11 -1.89 -1.85 114.38 123.90 1sqg h ARG 180 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1sqg h ARG 180 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1sqg h ARG 180 CO 1.14 0.00 0.00 1.79 0.10 0.00 0.00 179.97 183.00 1sqg h THR 181 N 0.00 0.00 0.00 0.08 1.35 -1.89 -3.34 112.91 109.11 1sqg h THR 181 Ca 0.00 -0.66 -0.23 0.00 -0.55 0.00 0.00 66.41 64.96 1sqg h THR 181 Cb 0.11 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 1sqg h THR 181 CO 0.00 0.00 -1.88 1.41 -0.25 0.00 0.00 175.52 174.80 1sqg n HIS 182 N -2.92 0.00 -3.85 4.73 8.25 -0.73 -5.05 115.22 115.65 1sqg n HIS 182 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1sqg n HIS 182 Cb 0.40 -0.59 -0.08 0.00 1.12 0.00 0.00 29.99 30.83 1sqg n HIS 182 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1sqg s HIS 183 N -2.31 0.08 0.72 4.41 3.76 -1.00 -5.08 115.29 115.86 1sqg s HIS 183 Ca -0.21 -0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 54.25 1sqg s HIS 183 Cb 0.05 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.72 1sqg s HIS 183 CO 0.36 -0.45 1.07 -1.54 -0.85 0.00 0.00 174.74 173.33 1sqg s SER 184 N -2.22 5.22 0.16 1.40 1.04 -1.26 -3.72 113.70 114.32 1sqg s SER 184 Ca -0.03 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.77 1sqg s SER 184 Cb -0.00 -2.38 0.10 0.00 0.10 0.00 0.00 66.02 63.84 1sqg s SER 184 CO -0.05 -1.53 1.71 -0.09 0.98 0.00 0.00 173.24 174.25 1sqg h ARG 185 N -0.78 0.13 -0.67 4.02 2.43 -1.90 -1.19 114.38 116.42 1sqg h ARG 185 Ca -0.45 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 1sqg h ARG 185 Cb 1.22 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1sqg h ARG 185 CO 0.58 0.08 0.23 -0.44 -1.51 0.00 0.00 179.97 178.91 1sqg h ASP 186 N 0.13 0.93 -0.56 -3.80 3.32 -1.93 -0.13 116.42 114.38 1sqg h ASP 186 Ca 0.19 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1sqg h ASP 186 Cb 0.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1sqg h ASP 186 CO -0.29 0.85 0.23 -1.28 -1.72 0.00 0.00 179.24 177.03 1sqg h SER 187 N 0.98 0.78 -0.12 6.45 0.87 -1.83 -2.42 113.55 118.25 1sqg h SER 187 Ca 0.22 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 1sqg h SER 187 Cb 0.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1sqg h SER 187 CO -0.01 0.73 -0.31 -0.25 -0.53 0.00 0.00 176.83 176.46 1sqg h TRP 188 N 0.77 0.69 -0.78 2.24 7.01 -0.84 -2.41 115.95 122.64 1sqg h TRP 188 Ca 0.19 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1sqg h TRP 188 Cb 0.20 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 1sqg h TRP 188 CO 0.01 0.84 0.52 -0.07 -2.79 0.00 0.00 178.44 176.94 1sqg h LEU 189 N 0.51 0.83 -1.18 0.65 3.38 -0.80 -0.78 115.31 117.91 1sqg h LEU 189 Ca 0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1sqg h LEU 189 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1sqg h LEU 189 CO 0.06 0.57 0.16 0.00 0.09 0.00 0.00 178.44 179.32 1sqg h ALA 190 N 1.54 1.35 -0.42 1.53 0.00 -0.94 -0.63 119.26 121.69 1sqg h ALA 190 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1sqg h ALA 190 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1sqg h ALA 190 CO -0.09 0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 179.36 1sqg h LEU 191 N 0.71 0.83 -0.43 0.00 3.38 -1.00 -1.46 115.31 117.34 1sqg h LEU 191 Ca 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1sqg h LEU 191 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1sqg h LEU 191 CO -0.01 1.01 0.20 0.25 0.09 0.00 0.00 178.44 179.98 1sqg h LEU 192 N 0.72 0.57 -0.61 1.67 5.85 -0.33 -0.49 115.31 122.69 1sqg h LEU 192 Ca 0.10 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1sqg h LEU 192 Cb 0.72 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1sqg h LEU 192 CO 0.06 0.55 0.29 -0.78 -0.34 0.00 0.00 178.44 178.22 1sqg h ASP 193 N 0.56 0.79 0.19 1.25 1.82 -0.97 -0.94 116.42 119.12 1sqg h ASP 193 Ca 0.15 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 1sqg h ASP 193 Cb 0.14 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1sqg h ASP 193 CO -0.02 0.70 -0.18 -0.33 -1.61 0.00 0.00 179.24 177.80 1sqg h GLU 194 N 0.83 0.00 0.00 0.28 4.39 -1.02 -0.73 114.58 118.32 1sqg h GLU 194 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1sqg h GLU 194 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1sqg h GLU 194 CO -0.03 0.18 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 1sqg n ALA 195 N -2.50 2.65 -0.82 3.43 0.00 -0.21 -4.88 120.51 118.18 1sqg n ALA 195 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sqg n ALA 195 Cb 0.24 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1sqg n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqg n GLY 196 N 0.92 0.55 3.43 0.00 0.00 -0.28 -5.06 105.19 104.75 1sqg n GLY 196 Ca 0.21 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1sqg n GLY 196 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqg s MET 197 N -0.84 1.57 -0.12 1.61 -1.94 -0.46 -5.01 119.30 114.11 1sqg s MET 197 Ca 0.00 -1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 52.63 1sqg s MET 197 Cb 0.00 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 1sqg s MET 197 CO 0.00 0.45 -0.01 0.21 -0.01 0.00 0.00 175.02 175.67 1sqg s LYS 198 N -2.20 3.37 0.06 2.03 2.47 -1.26 -3.17 119.74 121.03 1sqg s LYS 198 Ca 0.17 -0.44 -0.00 0.00 -1.56 0.00 0.00 55.97 54.13 1sqg s LYS 198 Cb -0.10 -2.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.34 1sqg s LYS 198 CO 0.08 0.48 -0.04 0.20 0.16 0.00 0.00 175.35 176.23 1sqg s GLY 199 N -0.26 0.50 0.02 5.54 0.00 -1.26 -1.43 107.32 110.43 1sqg s GLY 199 Ca 0.06 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.67 1sqg s GLY 199 CO 0.02 -1.26 -0.15 -1.36 0.00 0.00 0.00 173.10 170.35 1sqg s PHE 200 N -3.52 1.31 0.87 1.90 0.08 0.49 -4.91 117.98 114.19 1sqg s PHE 200 Ca 0.05 -0.31 -0.13 0.00 0.12 0.00 0.00 56.93 56.66 1sqg s PHE 200 Cb 0.05 -0.81 0.14 0.00 -0.57 0.00 0.00 43.02 41.84 1sqg s PHE 200 CO -0.08 0.02 1.23 -1.25 -0.10 0.00 0.00 175.22 175.04 1sqg s PRO 201 N -0.80 1.29 -0.03 0.24 0.04 -1.26 -0.25 135.00 134.24 1sqg s PRO 201 Ca 0.04 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 60.82 1sqg s PRO 201 Cb -0.07 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1sqg s PRO 201 CO 0.01 -1.97 -0.04 -1.58 0.04 0.00 0.00 177.00 173.46 1sqg s HIS 202 N -3.68 0.59 0.58 0.56 2.46 -1.26 -4.82 115.29 109.72 1sqg s HIS 202 Ca 0.68 -0.13 0.28 0.00 0.47 0.00 0.00 55.06 56.37 1sqg s HIS 202 Cb -0.07 -0.51 1.69 0.00 -0.13 0.00 0.00 32.58 33.56 1sqg s HIS 202 CO 0.50 -0.12 2.16 0.00 -2.47 0.00 0.00 174.74 174.81 1sqg h ALA 203 N 6.86 1.73 -0.01 1.58 0.00 -1.98 -2.86 119.26 124.57 1sqg h ALA 203 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sqg h ALA 203 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1sqg h ALA 203 CO 0.48 -0.18 -0.78 -0.25 0.00 0.00 0.00 179.25 178.53 1sqg n ASP 204 N -3.87 1.39 -3.68 0.00 8.00 -1.26 -4.78 116.55 112.35 1sqg n ASP 204 Ca -0.00 -1.18 -0.30 0.00 0.71 0.00 0.00 54.79 54.02 1sqg n ASP 204 Cb 0.23 0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 41.97 1sqg n ASP 204 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sqg s TYR 205 N -2.79 1.74 0.57 1.24 2.02 -1.08 -4.96 117.35 114.09 1sqg s TYR 205 Ca 0.12 -2.16 0.26 0.00 -0.37 0.00 0.00 57.07 54.92 1sqg s TYR 205 Cb 0.17 -1.71 1.60 0.00 -0.40 0.00 0.00 41.96 41.62 1sqg s TYR 205 CO 0.75 -0.81 2.14 -1.35 -1.57 0.00 0.00 175.55 174.70 1sqg h PRO 206 N 7.07 0.00 -0.18 -1.71 0.11 -1.86 -1.34 132.00 134.08 1sqg h PRO 206 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1sqg h PRO 206 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1sqg h PRO 206 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 1sqg n ASP 207 N -4.01 3.03 -4.85 -2.05 8.00 -1.26 -4.74 116.55 110.66 1sqg n ASP 207 Ca 0.00 -1.95 -0.35 0.00 0.71 0.00 0.00 54.79 53.20 1sqg n ASP 207 Cb 0.25 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1sqg n ASP 207 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqg s ALA 208 N -1.78 3.62 -0.05 2.24 0.00 -0.51 -0.11 121.76 125.17 1sqg s ALA 208 Ca 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1sqg s ALA 208 Cb 0.21 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1sqg s ALA 208 CO 0.31 0.49 -0.05 0.08 0.00 0.00 0.00 175.76 176.59 1sqg s VAL 209 N -1.45 0.61 -0.27 0.00 1.01 -0.47 -4.17 120.40 115.66 1sqg s VAL 209 Ca 0.36 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1sqg s VAL 209 Cb -0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1sqg s VAL 209 CO 0.19 0.25 0.17 -0.60 0.00 0.00 0.00 175.10 175.10 1sqg s ARG 210 N 0.99 3.92 0.29 2.72 3.52 0.66 -0.14 118.95 130.91 1sqg s ARG 210 Ca -0.10 -0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 54.87 1sqg s ARG 210 Cb -0.14 -3.60 -0.10 0.00 -1.56 0.00 0.00 34.95 29.55 1sqg s ARG 210 CO -0.00 -0.16 1.12 -0.51 -0.81 0.00 0.00 175.30 174.94 1sqg s LEU 211 N 1.69 4.52 0.29 -0.88 1.43 -0.57 -0.38 118.68 124.77 1sqg s LEU 211 Ca 0.07 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1sqg s LEU 211 Cb -0.16 -3.66 0.44 0.00 0.03 0.00 0.00 46.19 42.84 1sqg s LEU 211 CO 0.10 -0.21 1.83 -0.08 0.23 0.00 0.00 176.35 178.21 1sqg h GLU 212 N 3.69 0.75 -3.83 1.70 4.81 -1.59 -3.40 114.58 116.71 1sqg h GLU 212 Ca -0.47 -0.16 -0.30 0.00 -0.13 0.00 0.00 59.36 58.29 1sqg h GLU 212 Cb 1.21 -0.11 -0.31 0.00 0.63 0.00 0.00 28.75 30.18 1sqg h GLU 212 CO 0.66 0.71 -0.74 0.99 -0.73 0.00 0.00 179.01 179.90 1sqg s THR 213 N -5.11 0.15 0.45 0.32 2.01 -1.26 -5.01 115.64 107.19 1sqg s THR 213 Ca -0.09 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.67 1sqg s THR 213 Cb 0.15 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.38 1sqg s THR 213 CO 0.79 0.09 1.28 -2.65 -0.69 0.00 0.00 174.62 173.44 1sqg n PRO 214 N 3.59 1.86 -4.21 4.92 -0.02 -1.26 -4.97 135.00 134.90 1sqg n PRO 214 Ca -0.20 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 1sqg n PRO 214 Cb 0.55 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1sqg n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqg s ALA 215 N -1.23 1.26 0.59 3.55 0.00 -1.26 -5.13 121.76 119.54 1sqg s ALA 215 Ca 0.63 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1sqg s ALA 215 Cb -0.49 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1sqg s ALA 215 CO 0.56 -0.07 1.11 -2.14 0.00 0.00 0.00 175.76 175.23 1sqg s PRO 216 N -3.24 3.17 0.48 0.00 0.02 -1.26 -4.92 135.00 129.25 1sqg s PRO 216 Ca 0.11 1.49 0.15 0.00 0.02 0.00 0.00 61.00 62.76 1sqg s PRO 216 Cb -0.00 -1.99 1.14 0.00 0.02 0.00 0.00 34.50 33.67 1sqg s PRO 216 CO -0.00 -0.98 2.08 -0.39 -0.33 0.00 0.00 177.00 177.39 1sqg h VAL 217 N 0.72 1.06 0.00 3.83 -1.51 -2.01 -1.67 116.25 116.67 1sqg h VAL 217 Ca -0.49 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1sqg h VAL 217 Cb 1.25 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1sqg h VAL 217 CO 0.56 0.07 0.00 0.00 -1.23 0.00 0.00 177.57 176.97 1sqg n HIS 218 N -4.45 0.67 1.11 5.19 1.44 -1.26 -1.76 115.22 116.15 1sqg n HIS 218 Ca -0.02 0.28 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1sqg n HIS 218 Cb 0.15 -0.95 0.31 0.00 0.12 0.00 0.00 29.99 29.61 1sqg n HIS 218 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sqg n ALA 219 N -1.73 3.34 -2.67 1.59 0.00 -0.63 -4.87 120.51 115.55 1sqg n ALA 219 Ca 0.02 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 1sqg n ALA 219 Cb 0.18 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1sqg n ALA 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqg s LEU 220 N -2.78 4.17 -0.27 0.00 1.43 -0.72 -4.97 118.68 115.53 1sqg s LEU 220 Ca 0.17 1.12 -0.39 0.00 -1.03 0.00 0.00 54.13 53.99 1sqg s LEU 220 Cb 0.18 -3.18 -0.15 0.00 0.03 0.00 0.00 46.19 43.08 1sqg s LEU 220 CO 0.62 -0.38 1.80 -2.65 0.23 0.00 0.00 176.35 175.98 1sqg n PRO 221 N 5.20 1.25 -1.15 1.29 -0.02 -1.26 -2.03 135.00 138.29 1sqg n PRO 221 Ca 0.03 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1sqg n PRO 221 Cb 0.49 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1sqg n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqg n GLY 222 N 4.46 0.78 0.16 -1.23 0.00 -1.26 -4.61 105.19 103.50 1sqg n GLY 222 Ca 0.28 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1sqg n GLY 222 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sqg h PHE 223 N 0.00 0.35 0.00 1.61 3.57 -1.69 0.35 116.94 121.13 1sqg h PHE 223 Ca -0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1sqg h PHE 223 Cb 0.37 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1sqg h PHE 223 CO 0.16 0.19 0.00 0.93 -2.23 0.00 0.00 178.31 177.36 1sqg h GLU 224 N 0.38 0.00 -0.02 1.11 4.39 -1.90 -2.27 114.58 116.28 1sqg h GLU 224 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1sqg h GLU 224 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1sqg h GLU 224 CO -0.10 0.00 -0.16 -0.25 -1.16 0.00 0.00 179.01 177.35 1sqg n ASP 225 N -2.63 1.74 0.00 1.42 8.00 -0.45 -4.92 116.55 119.71 1sqg n ASP 225 Ca 0.01 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1sqg n ASP 225 Cb 0.26 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1sqg n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqg n GLY 226 N 1.30 0.45 0.22 0.44 0.00 -0.53 -4.83 105.19 102.23 1sqg n GLY 226 Ca 0.14 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.31 1sqg n GLY 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sqg h TRP 227 N 0.00 0.00 -2.55 1.61 4.06 -1.19 -3.43 115.95 114.46 1sqg h TRP 227 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1sqg h TRP 227 Cb 0.25 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.22 1sqg h TRP 227 CO 0.00 0.10 -0.04 0.54 -3.56 0.00 0.00 178.44 175.48 1sqg s VAL 228 N -3.27 0.03 0.01 1.49 0.11 -1.26 -1.28 120.40 116.23 1sqg s VAL 228 Ca 0.05 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1sqg s VAL 228 Cb 0.06 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1sqg s VAL 228 CO 0.66 -0.13 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.32 1sqg s THR 229 N -1.39 0.69 -0.29 5.04 2.01 -0.59 -4.73 115.64 116.39 1sqg s THR 229 Ca -0.12 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 1sqg s THR 229 Cb -0.02 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1sqg s THR 229 CO 0.06 0.02 0.89 -0.69 -0.69 0.00 0.00 174.62 174.22 1sqg s VAL 230 N -0.56 4.72 -0.28 3.82 1.01 -1.26 0.37 120.40 128.21 1sqg s VAL 230 Ca 0.00 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 1sqg s VAL 230 Cb -0.05 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.21 1sqg s VAL 230 CO 0.00 -0.27 0.65 -1.58 0.00 0.00 0.00 175.10 173.90 1sqg s GLN 231 N 3.14 0.62 0.43 2.72 0.74 -0.76 -4.93 119.66 121.62 1sqg s GLN 231 Ca 0.37 1.33 -0.25 0.00 0.05 0.00 0.00 55.36 56.86 1sqg s GLN 231 Cb -0.14 0.52 -0.10 0.00 1.10 0.00 0.00 33.01 34.39 1sqg s GLN 231 CO 0.12 -0.18 1.16 -3.47 -0.55 0.00 0.00 175.29 172.37 1sqg n ASP 232 N 4.93 2.00 -0.36 6.67 -0.08 -1.26 -4.04 116.55 124.41 1sqg n ASP 232 Ca -0.16 1.07 0.07 0.00 -1.51 0.00 0.00 54.79 54.26 1sqg n ASP 232 Cb 0.53 -1.44 0.23 0.00 2.34 0.00 0.00 41.12 42.79 1sqg n ASP 232 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqg h ALA 233 N 1.80 1.49 -0.92 -1.67 0.00 -1.89 -2.19 119.26 115.88 1sqg h ALA 233 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sqg h ALA 233 Cb 1.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1sqg h ALA 233 CO 0.58 0.21 0.59 0.77 0.00 0.00 0.00 179.25 181.40 1sqg h SER 234 N 0.98 1.07 -0.13 0.00 0.02 -1.88 -1.27 113.55 112.33 1sqg h SER 234 Ca 0.49 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1sqg h SER 234 Cb 0.49 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1sqg h SER 234 CO -0.27 0.79 -0.20 0.00 -1.14 0.00 0.00 176.83 176.01 1sqg h ALA 235 N 1.32 1.10 -0.30 3.77 0.00 -1.77 -1.45 119.26 121.92 1sqg h ALA 235 Ca 0.33 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sqg h ALA 235 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1sqg h ALA 235 CO -0.07 0.56 0.20 1.96 0.00 0.00 0.00 179.25 181.90 1sqg h GLN 236 N 0.49 0.37 0.00 0.00 4.20 -0.94 -1.87 115.11 117.36 1sqg h GLN 236 Ca 0.08 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1sqg h GLN 236 Cb 0.63 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1sqg h GLN 236 CO 0.04 0.24 -0.00 0.78 -0.67 0.00 0.00 178.83 179.23 1sqg h GLY 237 N 0.38 0.00 0.59 3.46 0.00 -0.45 -2.73 103.07 104.31 1sqg h GLY 237 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.56 1sqg h GLY 237 CO -0.02 0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.11 1sqg h MET 239 N 0.86 0.74 -0.91 0.00 2.86 -1.70 0.14 114.93 116.92 1sqg h MET 239 Ca 0.45 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.18 1sqg h MET 239 Cb 0.53 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 1sqg h MET 239 CO -0.21 0.49 0.58 1.15 1.06 0.00 0.00 176.91 179.98 1sqg h THR 240 N 0.76 0.85 0.09 2.22 2.02 -1.65 0.04 112.91 117.24 1sqg h THR 240 Ca 0.20 -0.26 -0.34 0.00 0.77 0.00 0.00 66.41 66.79 1sqg h THR 240 Cb -0.08 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1sqg h THR 240 CO -0.04 0.14 -1.86 -0.50 0.37 0.00 0.00 175.52 173.62 1sqg h TRP 241 N 0.75 0.33 -0.29 3.16 4.06 -1.29 -3.37 115.95 119.30 1sqg h TRP 241 Ca 0.45 -0.24 -0.15 0.00 2.06 0.00 0.00 58.89 61.01 1sqg h TRP 241 Cb 0.67 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1sqg h TRP 241 CO -0.00 1.50 -0.41 1.25 -3.56 0.00 0.00 178.44 177.22 1sqg h LEU 242 N 0.05 0.87 -3.60 -4.49 5.85 -0.60 -3.48 115.31 109.91 1sqg h LEU 242 Ca -0.36 -0.51 -0.49 0.00 0.84 0.00 0.00 57.88 57.36 1sqg h LEU 242 Cb 2.03 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 42.83 1sqg h LEU 242 CO 0.09 1.20 -0.95 0.00 -0.34 0.00 0.00 178.44 178.44 1sqg n ALA 243 N -2.53 -2.64 -1.57 1.25 0.00 -0.02 -4.91 120.51 110.10 1sqg n ALA 243 Ca -0.04 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1sqg n ALA 243 Cb 0.55 -2.57 0.04 0.00 0.00 0.00 0.00 19.45 17.47 1sqg n ALA 243 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqg s PRO 244 N -6.18 2.93 0.07 0.00 0.05 -1.26 -5.06 135.00 125.55 1sqg s PRO 244 Ca 0.35 1.41 0.04 0.00 0.05 0.00 0.00 61.00 62.85 1sqg s PRO 244 Cb -0.16 -1.97 -0.03 0.00 0.05 0.00 0.00 34.50 32.39 1sqg s PRO 244 CO 0.91 -1.15 -0.12 -0.65 0.05 0.00 0.00 177.00 176.04 1sqg s GLN 245 N -3.97 0.76 0.31 4.56 -0.21 -1.26 -4.63 119.66 115.22 1sqg s GLN 245 Ca 0.68 -0.94 -0.29 0.00 0.02 0.00 0.00 55.36 54.82 1sqg s GLN 245 Cb -0.21 -0.66 -0.13 0.00 1.00 0.00 0.00 33.01 33.01 1sqg s GLN 245 CO 0.39 0.14 1.36 0.09 -2.12 0.00 0.00 175.29 175.14 1sqg n ASN 246 N 1.21 2.88 0.00 5.90 3.02 -1.26 -2.54 115.26 124.47 1sqg n ASN 246 Ca -0.21 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1sqg n ASN 246 Cb 0.55 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1sqg n ASN 246 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqg n GLY 247 N 1.29 2.45 3.80 7.41 0.00 0.79 -4.85 105.19 116.08 1sqg n GLY 247 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1sqg n GLY 247 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqg s GLU 248 N -0.54 3.41 -0.40 1.61 2.02 -1.05 -4.59 118.70 119.16 1sqg s GLU 248 Ca 0.00 1.28 -0.16 0.00 0.02 0.00 0.00 54.97 56.12 1sqg s GLU 248 Cb 0.00 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1sqg s GLU 248 CO 0.00 -0.74 0.36 -1.01 0.02 0.00 0.00 175.26 173.88 1sqg s HIS 249 N -2.28 3.21 -0.09 1.61 3.76 -1.26 0.65 115.29 120.90 1sqg s HIS 249 Ca 0.65 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 55.17 1sqg s HIS 249 Cb -0.17 -2.71 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 1sqg s HIS 249 CO 0.32 -0.61 -0.20 0.42 -0.85 0.00 0.00 174.74 173.82 1sqg s ILE 250 N 1.90 2.43 -0.21 0.60 -1.09 -0.51 -0.07 121.20 124.25 1sqg s ILE 250 Ca 0.09 -0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 57.50 1sqg s ILE 250 Cb -0.18 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 1sqg s ILE 250 CO 0.12 0.56 0.12 -0.22 -1.23 0.00 0.00 174.94 174.29 1sqg s LEU 251 N 0.02 4.10 -0.42 2.97 2.96 -0.19 -0.92 118.68 127.19 1sqg s LEU 251 Ca -0.08 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1sqg s LEU 251 Cb -0.15 -2.07 0.11 0.00 0.50 0.00 0.00 46.19 44.59 1sqg s LEU 251 CO 0.05 0.15 0.20 -0.62 -1.32 0.00 0.00 176.35 174.81 1sqg s ASP 252 N 0.57 5.14 -0.18 3.68 2.15 -0.60 -0.65 116.67 126.77 1sqg s ASP 252 Ca 0.07 -2.17 -0.15 0.00 0.43 0.00 0.00 52.55 50.72 1sqg s ASP 252 Cb -0.12 -1.79 -0.04 0.00 -0.30 0.00 0.00 42.92 40.67 1sqg s ASP 252 CO 0.00 -0.49 0.37 -0.22 -0.17 0.00 0.00 175.17 174.67 1sqg s LEU 253 N 0.93 4.19 -0.38 -1.34 0.20 -0.32 -2.03 118.68 119.92 1sqg s LEU 253 Ca 0.10 0.54 -0.01 0.00 0.69 0.00 0.00 54.13 55.45 1sqg s LEU 253 Cb -0.22 -2.49 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 1sqg s LEU 253 CO -0.05 -0.02 0.33 0.00 -0.29 0.00 0.00 176.35 176.32 1sqg h ALA 255 N 0.16 0.79 -2.48 0.00 0.00 -1.55 -3.43 119.26 112.75 1sqg h ALA 255 Ca -0.20 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.69 1sqg h ALA 255 Cb 1.11 -0.08 0.11 0.00 0.00 0.00 0.00 17.79 18.94 1sqg h ALA 255 CO 0.16 0.61 0.42 0.00 0.00 0.00 0.00 179.25 180.43 1sqg n ALA 256 N -2.27 0.98 1.48 0.00 0.00 -1.26 0.72 120.51 120.17 1sqg n ALA 256 Ca 0.01 0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.82 1sqg n ALA 256 Cb 0.65 -2.21 0.12 0.00 0.00 0.00 0.00 19.45 18.01 1sqg n ALA 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sqg n PRO 257 N 0.43 1.39 -0.03 0.00 -0.04 -1.26 -4.89 135.00 130.60 1sqg n PRO 257 Ca 0.06 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1sqg n PRO 257 Cb 0.36 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1sqg n PRO 257 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqg n GLY 258 N 0.79 0.94 0.23 0.55 0.00 0.22 -3.02 105.19 104.90 1sqg n GLY 258 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1sqg n GLY 258 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sqg h GLY 259 N 0.00 0.80 1.78 -0.02 0.00 -1.91 -2.60 103.07 101.13 1sqg h GLY 259 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 1sqg h GLY 259 CO 0.00 0.52 -0.78 0.50 0.00 0.00 0.00 176.54 176.78 1sqg h LYS 260 N 0.59 0.21 -0.32 4.80 1.57 -1.94 -2.58 116.57 118.90 1sqg h LYS 260 Ca 0.13 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1sqg h LYS 260 Cb 0.43 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1sqg h LYS 260 CO 0.02 0.88 -0.07 1.15 -0.57 0.00 0.00 179.45 180.86 1sqg h THR 261 N 0.13 0.70 -0.02 -0.16 2.02 -1.83 -1.18 112.91 112.57 1sqg h THR 261 Ca -0.03 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 1sqg h THR 261 Cb 1.36 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1sqg h THR 261 CO 0.12 0.00 -0.71 0.71 0.37 0.00 0.00 175.52 176.02 1sqg h THR 262 N 0.02 1.47 -0.89 3.16 1.35 -1.48 -3.02 112.91 113.52 1sqg h THR 262 Ca 0.15 -2.33 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 1sqg h THR 262 Cb 0.23 2.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 1sqg h THR 262 CO -0.31 0.67 0.52 -0.74 -0.25 0.00 0.00 175.52 175.41 1sqg h HIS 263 N 0.06 1.19 -0.72 4.73 6.17 -1.01 0.30 115.15 125.88 1sqg h HIS 263 Ca -0.01 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.11 1sqg h HIS 263 Cb 1.25 -0.39 -0.05 0.00 2.52 0.00 0.00 27.41 30.74 1sqg h HIS 263 CO 0.01 0.80 0.42 0.82 0.71 0.00 0.00 177.93 180.70 1sqg h ILE 264 N 1.23 1.02 0.00 6.26 2.04 -1.11 -1.20 117.51 125.75 1sqg h ILE 264 Ca 0.32 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1sqg h ILE 264 Cb -0.02 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1sqg h ILE 264 CO -0.06 0.14 -0.07 -0.07 0.00 0.00 0.00 178.15 178.10 1sqg h LEU 265 N 0.79 0.00 -0.24 1.44 3.38 -1.30 0.42 115.31 119.80 1sqg h LEU 265 Ca 0.31 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.07 1sqg h LEU 265 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sqg h LEU 265 CO -0.16 0.07 -0.74 -0.33 0.09 0.00 0.00 178.44 177.37 1sqg h GLU 266 N 0.00 0.71 -0.07 1.13 5.08 -0.16 -2.31 114.58 118.96 1sqg h GLU 266 Ca -0.00 -0.56 -0.21 0.00 -1.00 0.00 0.00 59.36 57.59 1sqg h GLU 266 Cb 0.86 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1sqg h GLU 266 CO 0.01 1.18 -0.77 0.28 -1.00 0.00 0.00 179.01 178.71 1sqg h VAL 267 N 0.49 1.32 -2.68 3.13 2.07 -0.96 -3.41 116.25 116.21 1sqg h VAL 267 Ca -0.04 -2.04 -0.60 0.00 0.82 0.00 0.00 66.70 64.85 1sqg h VAL 267 Cb 1.35 2.24 -0.39 0.00 -1.52 0.00 0.00 31.29 32.97 1sqg h VAL 267 CO 0.15 0.63 -0.83 0.00 0.02 0.00 0.00 177.57 177.53 1sqg s ALA 268 N -3.52 1.72 0.58 1.67 0.00 0.14 -4.93 121.76 117.42 1sqg s ALA 268 Ca -0.11 -2.46 0.28 0.00 0.00 0.00 0.00 51.96 49.67 1sqg s ALA 268 Cb 0.07 -1.74 1.54 0.00 0.00 0.00 0.00 23.12 22.99 1sqg s ALA 268 CO 0.88 -2.05 2.02 -1.35 0.00 0.00 0.00 175.76 175.26 1sqg h PRO 269 N 6.32 0.00 -0.75 0.00 0.11 -1.64 -2.19 132.00 133.85 1sqg h PRO 269 Ca 0.12 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.83 1sqg h PRO 269 Cb 0.92 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.79 1sqg h PRO 269 CO 0.41 0.00 0.36 0.39 -0.21 0.00 0.00 178.00 178.95 1sqg n GLU 270 N -3.89 2.12 -3.26 1.05 4.71 -1.26 -4.97 120.64 115.14 1sqg n GLU 270 Ca 0.05 -3.11 -0.36 0.00 -0.01 0.00 0.00 57.16 53.73 1sqg n GLU 270 Cb 0.48 -2.05 -0.06 0.00 -1.01 0.00 0.00 31.44 28.81 1sqg n GLU 270 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sqg s ALA 271 N -3.31 3.52 -0.90 0.62 0.00 -0.82 0.28 121.76 121.15 1sqg s ALA 271 Ca 0.53 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1sqg s ALA 271 Cb 0.45 -2.63 0.20 0.00 0.00 0.00 0.00 23.12 21.14 1sqg s ALA 271 CO 0.06 0.41 0.93 -0.65 0.00 0.00 0.00 175.76 176.50 1sqg s GLN 272 N -1.89 3.69 -0.02 0.00 -1.52 0.21 -4.85 119.66 115.26 1sqg s GLN 272 Ca 0.39 -2.36 -0.12 0.00 -1.95 0.00 0.00 55.36 51.32 1sqg s GLN 272 Cb -0.16 -4.60 -0.05 0.00 -0.22 0.00 0.00 33.01 27.98 1sqg s GLN 272 CO 0.20 -1.43 0.33 0.08 -0.25 0.00 0.00 175.29 174.22 1sqg s VAL 273 N 0.74 5.17 -0.18 1.09 1.01 -1.26 -1.42 120.40 125.55 1sqg s VAL 273 Ca 0.24 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1sqg s VAL 273 Cb -0.08 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1sqg s VAL 273 CO -0.09 0.55 -0.19 0.54 0.00 0.00 0.00 175.10 175.92 1sqg s VAL 274 N -1.11 2.00 -0.21 2.92 0.11 -0.10 -2.33 120.40 121.69 1sqg s VAL 274 Ca 0.22 -0.90 -0.06 0.00 -2.93 0.00 0.00 61.98 58.31 1sqg s VAL 274 Cb -0.15 -1.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1sqg s VAL 274 CO 0.11 0.53 0.04 0.00 -3.33 0.00 0.00 175.10 172.46 1sqg s ALA 275 N 1.31 3.20 0.02 1.54 0.00 -0.36 -1.56 121.76 125.90 1sqg s ALA 275 Ca 0.05 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1sqg s ALA 275 Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1sqg s ALA 275 CO -0.13 -0.11 -0.14 0.14 0.00 0.00 0.00 175.76 175.53 1sqg s VAL 276 N 0.92 1.07 0.19 0.00 -7.23 -0.86 -0.89 120.40 113.60 1sqg s VAL 276 Ca 0.03 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.22 1sqg s VAL 276 Cb -0.14 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.89 1sqg s VAL 276 CO 0.02 0.13 0.51 -0.62 -0.31 0.00 0.00 175.10 174.83 1sqg s ASP 277 N -0.77 -0.26 0.13 4.85 3.68 -0.93 -0.34 116.67 123.03 1sqg s ASP 277 Ca 0.03 -0.46 -0.29 0.00 2.13 0.00 0.00 52.55 53.96 1sqg s ASP 277 Cb -0.07 0.56 -0.07 0.00 -1.45 0.00 0.00 42.92 41.90 1sqg s ASP 277 CO 0.00 -1.03 1.58 0.16 0.13 0.00 0.00 175.17 176.02 1sqg h ILE 278 N 2.22 0.15 -2.48 4.11 3.07 -1.84 0.08 117.51 122.82 1sqg h ILE 278 Ca -0.30 0.00 -0.52 0.00 1.55 0.00 0.00 64.86 65.59 1sqg h ILE 278 Cb 1.26 0.15 -0.14 0.00 -0.27 0.00 0.00 36.82 37.82 1sqg h ILE 278 CO 0.39 0.00 -0.58 1.51 -1.05 0.00 0.00 178.15 178.42 1sqg s ASP 279 N -4.85 2.75 -0.01 2.16 1.47 -1.26 -4.27 116.67 112.66 1sqg s ASP 279 Ca -0.16 -1.47 0.00 0.00 1.18 0.00 0.00 52.55 52.11 1sqg s ASP 279 Cb 0.09 0.08 0.03 0.00 -0.34 0.00 0.00 42.92 42.78 1sqg s ASP 279 CO 0.64 -0.69 0.72 -0.62 0.68 0.00 0.00 175.17 175.90 1sqg n GLU 280 N -0.81 1.12 -0.07 2.11 -0.58 -1.26 -2.59 120.64 118.56 1sqg n GLU 280 Ca -0.05 -0.12 -0.09 0.00 -0.42 0.00 0.00 57.16 56.48 1sqg n GLU 280 Cb 0.66 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 30.10 1sqg n GLU 280 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1sqg n GLN 281 N 0.17 0.88 0.00 3.49 1.13 -1.26 -4.35 117.38 117.44 1sqg n GLN 281 Ca 0.02 0.06 0.12 0.00 -1.94 0.00 0.00 57.00 55.26 1sqg n GLN 281 Cb 0.38 -1.29 0.32 0.00 0.11 0.00 0.00 30.24 29.76 1sqg n GLN 281 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1sqg n ARG 282 N -2.77 0.20 -0.00 -1.09 1.74 -1.11 -4.00 116.66 109.63 1sqg n ARG 282 Ca -0.23 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 56.65 1sqg n ARG 282 Cb 0.80 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.60 1sqg n ARG 282 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1sqg h LEU 283 N 0.27 0.03 -1.32 0.55 5.85 -1.72 -3.29 115.31 115.68 1sqg h LEU 283 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sqg h LEU 283 Cb 0.49 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1sqg h LEU 283 CO 0.00 1.05 0.41 0.77 -0.34 0.00 0.00 178.44 180.33 1sqg h SER 284 N 0.01 0.76 -0.15 1.25 4.64 -1.76 -1.91 113.55 116.38 1sqg h SER 284 Ca -0.24 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1sqg h SER 284 Cb 1.97 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.85 1sqg h SER 284 CO 0.09 0.57 0.05 0.03 -0.87 0.00 0.00 176.83 176.70 1sqg h ARG 285 N 0.88 0.11 -0.67 4.77 3.08 -1.75 -2.31 114.38 118.50 1sqg h ARG 285 Ca 0.23 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1sqg h ARG 285 Cb -0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1sqg h ARG 285 CO -0.05 0.08 0.36 0.28 -1.07 0.00 0.00 179.97 179.57 1sqg h VAL 286 N 0.12 1.21 -0.98 2.04 2.07 -1.34 -2.48 116.25 116.89 1sqg h VAL 286 Ca 0.07 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1sqg h VAL 286 Cb 0.04 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1sqg h VAL 286 CO -0.07 0.24 0.64 1.88 0.02 0.00 0.00 177.57 180.27 1sqg h TYR 287 N 0.92 1.18 -0.01 1.57 0.05 -1.17 -1.93 116.97 117.59 1sqg h TYR 287 Ca 0.23 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.04 1sqg h TYR 287 Cb 0.05 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.40 1sqg h TYR 287 CO -0.00 0.64 0.00 -0.44 -1.05 0.00 0.00 178.16 177.31 1sqg h ASP 288 N 1.19 0.01 -0.89 3.88 3.32 -0.99 -1.18 116.42 121.76 1sqg h ASP 288 Ca 0.41 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1sqg h ASP 288 Cb 0.10 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1sqg h ASP 288 CO -0.15 0.13 0.55 0.78 -1.72 0.00 0.00 179.24 178.83 1sqg h ASN 289 N -0.12 1.06 -0.46 6.45 2.35 -1.20 0.03 115.58 123.69 1sqg h ASN 289 Ca 0.00 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1sqg h ASN 289 Cb 0.13 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1sqg h ASN 289 CO -0.00 0.80 -0.10 0.25 -1.65 0.00 0.00 177.43 176.74 1sqg h LEU 290 N 1.22 0.88 0.24 1.61 5.85 -1.23 -2.31 115.31 121.57 1sqg h LEU 290 Ca 0.32 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1sqg h LEU 290 Cb -0.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.72 1sqg h LEU 290 CO -0.06 1.03 -0.12 0.50 -0.34 0.00 0.00 178.44 179.45 1sqg h LYS 291 N 0.71 -0.31 -0.86 1.25 1.63 -0.76 0.49 116.57 118.72 1sqg h LYS 291 Ca 0.12 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.09 1sqg h LYS 291 Cb 0.64 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 32.24 1sqg h LYS 291 CO 0.04 -0.04 0.45 -0.09 -3.45 0.00 0.00 179.45 176.36 1sqg h ARG 292 N -0.58 0.61 -0.40 1.90 2.43 -0.99 -0.33 114.38 117.02 1sqg h ARG 292 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1sqg h ARG 292 Cb 0.42 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1sqg h ARG 292 CO 0.05 0.40 0.00 1.28 -1.51 0.00 0.00 179.97 180.20 1sqg n LEU 293 N -4.87 2.15 -3.74 3.80 4.32 -0.87 -3.55 117.00 114.24 1sqg n LEU 293 Ca 0.17 -1.07 -0.28 0.00 -0.02 0.00 0.00 56.01 54.82 1sqg n LEU 293 Cb 0.45 -0.26 0.04 0.00 -1.62 0.00 0.00 43.42 42.02 1sqg n LEU 293 CO 0.21 0.53 0.14 0.61 -1.22 0.00 0.00 177.39 177.66 1sqg n GLY 294 N 1.14 -0.51 3.72 -0.72 0.00 -0.14 -4.98 105.19 103.69 1sqg n GLY 294 Ca 0.14 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 1sqg n GLY 294 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqg s MET 295 N -6.45 2.55 0.03 1.61 -1.94 0.12 -5.04 119.30 110.19 1sqg s MET 295 Ca 0.61 -1.26 0.07 0.00 -1.71 0.00 0.00 55.69 53.40 1sqg s MET 295 Cb -0.29 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 1sqg s MET 295 CO 0.75 0.38 -0.20 -1.59 -0.01 0.00 0.00 175.02 174.36 1sqg s LYS 296 N -3.71 1.39 0.09 2.03 0.00 -1.26 -4.46 119.74 113.83 1sqg s LYS 296 Ca 0.32 -0.85 -0.25 0.00 0.00 0.00 0.00 55.97 55.19 1sqg s LYS 296 Cb -0.07 -1.45 0.08 0.00 0.00 0.00 0.00 37.83 36.39 1sqg s LYS 296 CO 0.22 0.38 0.73 0.00 0.00 0.00 0.00 175.35 176.68 1sqg s ALA 297 N -0.70 -1.69 -0.29 0.59 0.00 -1.26 -4.81 121.76 113.60 1sqg s ALA 297 Ca 0.07 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1sqg s ALA 297 Cb -0.08 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1sqg s ALA 297 CO 0.01 -0.75 0.66 0.95 0.00 0.00 0.00 175.76 176.64 1sqg s THR 298 N -3.47 4.92 -0.27 0.00 -4.23 -0.98 -4.97 115.64 106.64 1sqg s THR 298 Ca 0.03 0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 61.46 1sqg s THR 298 Cb -0.01 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 1sqg s THR 298 CO -0.11 -0.12 0.08 0.54 -0.54 0.00 0.00 174.62 174.48 1sqg s VAL 299 N 2.65 4.24 0.11 2.29 0.11 -1.26 -1.23 120.40 127.31 1sqg s VAL 299 Ca 0.27 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 1sqg s VAL 299 Cb -0.15 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 1sqg s VAL 299 CO 0.11 0.24 -0.26 -0.54 -3.33 0.00 0.00 175.10 171.32 1sqg s LYS 300 N 1.58 1.51 0.03 1.54 1.02 -0.06 -4.99 119.74 120.37 1sqg s LYS 300 Ca 0.05 -1.29 -0.23 0.00 0.02 0.00 0.00 55.97 54.52 1sqg s LYS 300 Cb -0.16 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 1sqg s LYS 300 CO 0.03 0.46 0.68 -1.14 -0.92 0.00 0.00 175.35 174.47 1sqg s GLN 301 N -1.93 4.41 -0.16 1.68 -0.44 -1.26 -2.19 119.66 119.77 1sqg s GLN 301 Ca 0.14 0.91 -0.32 0.00 -2.50 0.00 0.00 55.36 53.59 1sqg s GLN 301 Cb -0.10 -3.35 0.13 0.00 -1.64 0.00 0.00 33.01 28.06 1sqg s GLN 301 CO 0.06 0.35 1.12 0.20 0.50 0.00 0.00 175.29 177.51 1sqg s GLY 302 N -0.20 -0.29 -0.20 2.59 0.00 0.02 -4.83 107.32 104.40 1sqg s GLY 302 Ca 0.35 1.68 -0.05 0.00 0.00 0.00 0.00 44.72 46.69 1sqg s GLY 302 CO 0.20 0.63 0.01 -0.35 0.00 0.00 0.00 173.10 173.60 1sqg s ASP 303 N -1.95 4.91 0.23 1.64 -1.08 -1.26 -2.63 116.67 116.53 1sqg s ASP 303 Ca 0.07 -0.18 0.19 0.00 -0.52 0.00 0.00 52.55 52.11 1sqg s ASP 303 Cb -0.01 -1.84 0.91 0.00 -1.46 0.00 0.00 42.92 40.52 1sqg s ASP 303 CO -0.05 0.06 1.59 0.61 0.52 0.00 0.00 175.17 177.90 1sqg n GLY 304 N 4.25 -1.00 0.17 2.66 0.00 -1.26 -1.75 105.19 108.26 1sqg n GLY 304 Ca -0.17 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1sqg n GLY 304 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sqg h ARG 305 N 0.00 0.00 -2.05 1.61 3.08 -1.91 -3.40 114.38 111.72 1sqg h ARG 305 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1sqg h ARG 305 Cb 0.17 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.82 1sqg h ARG 305 CO 0.00 0.44 -0.99 0.66 -1.07 0.00 0.00 179.97 179.01 1sqg n TYR 306 N -3.41 0.71 -0.23 3.04 4.01 -0.71 -4.81 117.16 115.75 1sqg n TYR 306 Ca 0.01 -3.73 0.11 0.00 -0.16 0.00 0.00 57.90 54.12 1sqg n TYR 306 Cb 0.60 -0.41 0.38 0.00 -0.31 0.00 0.00 39.34 39.61 1sqg n TYR 306 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1sqg h PRO 307 N 3.90 0.66 -0.00 -0.72 0.11 -1.76 -1.16 132.00 133.02 1sqg h PRO 307 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1sqg h PRO 307 Cb 0.83 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1sqg h PRO 307 CO 0.56 0.44 0.01 0.66 -0.21 0.00 0.00 178.00 179.45 1sqg h SER 308 N 0.68 0.00 0.37 -2.05 4.64 -1.90 -0.15 113.55 115.15 1sqg h SER 308 Ca 0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 1sqg h SER 308 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1sqg h SER 308 CO -0.16 0.00 -0.08 1.56 -0.87 0.00 0.00 176.83 177.27 1sqg h GLN 309 N 0.00 0.00 0.00 4.77 4.20 -1.51 -2.16 115.11 120.41 1sqg h GLN 309 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sqg h GLN 309 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1sqg h GLN 309 CO -0.00 0.08 -0.26 -2.67 -0.67 0.00 0.00 178.83 175.32 1sqg n TRP 310 N -3.53 0.00 -1.77 2.96 4.27 -0.52 -4.81 117.44 114.05 1sqg n TRP 310 Ca -0.02 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.62 1sqg n TRP 310 Cb 0.22 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.20 1sqg n TRP 310 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sqg n GLY 312 N -0.35 2.69 0.73 0.00 0.00 -0.81 -0.53 105.19 106.91 1sqg n GLY 312 Ca 0.04 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.42 1sqg n GLY 312 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sqg n GLU 313 N 12.58 2.20 -2.05 1.61 -0.00 -1.26 -3.97 120.64 129.76 1sqg n GLU 313 Ca 0.00 -2.88 -0.37 0.00 -0.00 0.00 0.00 57.16 53.91 1sqg n GLU 313 Cb 0.00 -1.74 0.02 0.00 -0.00 0.00 0.00 31.44 29.72 1sqg n GLU 313 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1sqg s GLN 314 N -2.96 3.30 0.19 3.44 -0.21 0.30 -5.03 119.66 118.70 1sqg s GLN 314 Ca 0.40 1.91 0.10 0.00 0.02 0.00 0.00 55.36 57.79 1sqg s GLN 314 Cb 0.34 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 1sqg s GLN 314 CO 0.05 -0.96 -0.18 -0.65 -2.12 0.00 0.00 175.29 171.42 1sqg s GLN 315 N -3.00 1.74 0.23 2.91 -0.21 -1.26 -4.72 119.66 115.35 1sqg s GLN 315 Ca 0.71 -1.43 0.11 0.00 0.02 0.00 0.00 55.36 54.76 1sqg s GLN 315 Cb -0.32 -1.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.67 1sqg s GLN 315 CO 0.37 0.41 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.69 1sqg s PHE 316 N -1.72 2.16 0.06 0.91 0.40 -0.00 -4.82 117.98 114.97 1sqg s PHE 316 Ca 0.23 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 1sqg s PHE 316 Cb -0.08 -1.00 -0.24 0.00 0.51 0.00 0.00 43.02 42.21 1sqg s PHE 316 CO 0.12 0.56 1.17 -0.44 0.70 0.00 0.00 175.22 177.33 1sqg h ASP 317 N 2.72 0.86 -4.81 1.36 5.19 -0.82 0.36 116.42 121.28 1sqg h ASP 317 Ca -0.42 -0.75 -0.17 0.00 -0.62 0.00 0.00 57.03 55.07 1sqg h ASP 317 Cb 1.23 -0.26 -0.22 0.00 0.18 0.00 0.00 39.33 40.26 1sqg h ASP 317 CO 0.55 1.50 -0.65 -0.13 -3.12 0.00 0.00 179.24 177.39 1sqg s ARG 318 N -3.28 0.31 -0.06 3.56 0.52 -1.18 -1.88 118.95 116.94 1sqg s ARG 318 Ca -0.10 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1sqg s ARG 318 Cb 0.06 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.67 1sqg s ARG 318 CO 0.91 -0.06 -0.08 0.42 0.02 0.00 0.00 175.30 176.51 1sqg s ILE 319 N -1.24 0.83 -0.27 1.52 1.01 -0.21 -1.03 121.20 121.81 1sqg s ILE 319 Ca -0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1sqg s ILE 319 Cb -0.08 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1sqg s ILE 319 CO -0.00 0.30 0.03 -0.22 0.00 0.00 0.00 174.94 175.05 1sqg s LEU 320 N 0.95 3.50 -0.35 2.97 2.96 0.17 0.23 118.68 129.11 1sqg s LEU 320 Ca -0.10 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 1sqg s LEU 320 Cb -0.15 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1sqg s LEU 320 CO 0.00 -0.13 0.14 -0.22 -1.32 0.00 0.00 176.35 174.83 1sqg s LEU 321 N 1.48 4.49 -0.97 -0.68 2.96 0.51 -1.18 118.68 125.29 1sqg s LEU 321 Ca 0.03 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 52.60 1sqg s LEU 321 Cb -0.16 -1.90 0.18 0.00 0.50 0.00 0.00 46.19 44.81 1sqg s LEU 321 CO 0.00 -0.36 1.08 -0.62 -1.32 0.00 0.00 176.35 175.13 1sqg s ASP 322 N 1.51 6.83 0.35 3.68 -1.08 -1.11 -0.63 116.67 126.22 1sqg s ASP 322 Ca -0.00 -2.59 -0.29 0.00 -0.52 0.00 0.00 52.55 49.15 1sqg s ASP 322 Cb -0.20 -2.32 -0.11 0.00 -1.46 0.00 0.00 42.92 38.83 1sqg s ASP 322 CO 0.03 -0.77 1.40 0.00 0.52 0.00 0.00 175.17 176.35 1sqg s ALA 323 N 1.28 3.54 0.28 3.66 0.00 -0.36 -4.73 121.76 125.42 1sqg s ALA 323 Ca 0.30 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 1sqg s ALA 323 Cb -0.07 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1sqg s ALA 323 CO -0.07 -0.83 1.38 -0.35 0.00 0.00 0.00 175.76 175.88 1sqg n PRO 324 N 0.76 2.10 -3.82 0.00 -0.04 -1.26 -4.73 135.00 128.02 1sqg n PRO 324 Ca 0.01 0.75 -0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1sqg n PRO 324 Cb 0.41 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1sqg n PRO 324 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqg h SER 326 N 2.00 0.00 -2.32 0.00 4.64 -1.91 -3.46 113.55 112.50 1sqg h SER 326 Ca -0.32 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.61 1sqg h SER 326 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 1sqg h SER 326 CO 0.41 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 175.93 1sqg n ALA 327 N -1.84 -0.51 0.30 5.18 0.00 -1.25 -4.87 120.51 117.51 1sqg n ALA 327 Ca 0.02 0.22 0.16 0.00 0.00 0.00 0.00 53.44 53.84 1sqg n ALA 327 Cb 0.24 -2.00 0.91 0.00 0.00 0.00 0.00 19.45 18.61 1sqg n ALA 327 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1sqg h THR 328 N 0.00 0.41 0.00 0.00 1.35 -1.87 -1.31 112.91 111.48 1sqg h THR 328 Ca -0.43 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1sqg h THR 328 Cb 1.30 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1sqg h THR 328 CO 0.55 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1sqg n GLY 329 N -1.02 -1.28 0.53 5.82 0.00 0.39 -3.58 105.19 106.05 1sqg n GLY 329 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1sqg n GLY 329 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sqg n VAL 330 N -1.86 2.00 -0.10 1.61 0.24 -0.50 -1.03 118.33 118.70 1sqg n VAL 330 Ca 0.04 -1.93 0.12 0.00 -2.04 0.00 0.00 64.34 60.53 1sqg n VAL 330 Cb 0.26 -0.17 0.50 0.00 -1.47 0.00 0.00 33.84 32.96 1sqg n VAL 330 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1sqg h ILE 331 N 1.06 0.88 0.00 1.34 2.04 -1.62 -0.12 117.51 121.09 1sqg h ILE 331 Ca 0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1sqg h ILE 331 Cb 1.19 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1sqg h ILE 331 CO 0.12 0.08 -0.07 0.08 0.00 0.00 0.00 178.15 178.36 1sqg h ARG 332 N 0.42 0.00 0.00 2.37 0.11 -1.82 -2.41 114.38 113.05 1sqg h ARG 332 Ca 0.29 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.21 1sqg h ARG 332 Cb 0.59 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.64 1sqg h ARG 332 CO -0.08 0.07 -1.83 0.54 0.10 0.00 0.00 179.97 178.76 1sqg n ARG 333 N -3.89 0.65 -3.37 0.08 1.74 -0.15 -4.27 116.66 107.45 1sqg n ARG 333 Ca -0.03 0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.83 1sqg n ARG 333 Cb 0.16 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 1sqg n ARG 333 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1sqg n HIS 334 N -2.66 -0.20 0.28 -1.55 8.25 -0.66 -4.96 115.22 113.73 1sqg n HIS 334 Ca -0.14 -3.51 0.18 0.00 -0.26 0.00 0.00 57.72 54.00 1sqg n HIS 334 Cb 0.84 -0.04 0.96 0.00 1.12 0.00 0.00 29.99 32.86 1sqg n HIS 334 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sqg h PRO 335 N 5.02 0.00 -0.10 -0.41 0.13 -1.75 -1.25 132.00 133.64 1sqg h PRO 335 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1sqg h PRO 335 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1sqg h PRO 335 CO 0.45 0.00 0.12 0.38 -0.23 0.00 0.00 178.00 178.72 1sqg h ASP 336 N 0.00 0.00 -0.98 1.44 2.03 -1.88 -1.80 116.42 115.23 1sqg h ASP 336 Ca 0.03 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 56.48 1sqg h ASP 336 Cb 0.36 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.77 1sqg h ASP 336 CO -0.00 0.00 0.61 0.40 -1.03 0.00 0.00 179.24 179.22 1sqg h ILE 337 N 0.00 0.83 0.00 4.15 2.04 -1.58 0.18 117.51 123.13 1sqg h ILE 337 Ca 0.05 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1sqg h ILE 337 Cb 0.29 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1sqg h ILE 337 CO -0.00 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 1sqg h LYS 338 N 0.85 0.00 0.00 2.37 1.57 -1.53 -1.92 116.57 117.91 1sqg h LYS 338 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1sqg h LYS 338 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1sqg h LYS 338 CO -0.28 0.02 -1.28 0.91 -0.57 0.00 0.00 179.45 178.25 1sqg n TRP 339 N -4.00 0.00 0.06 -1.35 7.02 0.04 -4.55 117.44 114.66 1sqg n TRP 339 Ca -0.03 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.25 1sqg n TRP 339 Cb 0.10 -0.19 -0.15 0.00 -2.42 0.00 0.00 31.31 28.65 1sqg n TRP 339 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1sqg h LEU 340 N 0.00 0.50-10.12 -0.99 3.38 -0.63 -3.46 115.31 104.00 1sqg h LEU 340 Ca 0.00 -0.80 -0.46 0.00 0.09 0.00 0.00 57.88 56.71 1sqg h LEU 340 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sqg h LEU 340 CO 0.00 1.68 0.32 -0.13 0.09 0.00 0.00 178.44 180.40 1sqg s ARG 341 N -2.59 4.07 0.20 1.13 1.81 -0.73 -5.06 118.95 117.79 1sqg s ARG 341 Ca -0.15 0.98 0.06 0.00 -1.72 0.00 0.00 55.73 54.90 1sqg s ARG 341 Cb 0.06 -2.19 -0.05 0.00 -0.45 0.00 0.00 34.95 32.32 1sqg s ARG 341 CO 0.84 -0.11 -0.10 1.03 -0.68 0.00 0.00 175.30 176.28 1sqg s ARG 342 N -3.56 1.27 0.28 3.54 0.52 -1.26 -4.90 118.95 114.84 1sqg s ARG 342 Ca 0.60 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1sqg s ARG 342 Cb -0.10 -0.88 0.56 0.00 0.52 0.00 0.00 34.95 35.05 1sqg s ARG 342 CO 0.22 0.09 1.81 0.22 0.02 0.00 0.00 175.30 177.66 1sqg h ASP 343 N 2.58 0.83 0.32 0.23 3.58 -1.98 -1.11 116.42 120.87 1sqg h ASP 343 Ca -0.38 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 1sqg h ASP 343 Cb 1.21 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 1sqg h ASP 343 CO 0.64 0.41 -0.02 0.08 -2.88 0.00 0.00 179.24 177.47 1sqg h ARG 344 N 0.89 0.00 0.00 0.28 0.11 -2.02 -2.22 114.38 111.41 1sqg h ARG 344 Ca 0.49 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.49 1sqg h ARG 344 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1sqg h ARG 344 CO -0.29 0.02 -0.38 -0.44 0.10 0.00 0.00 179.97 178.97 1sqg h ASP 345 N 0.00 0.00 0.29 0.08 3.32 -1.60 -3.29 116.42 115.22 1sqg h ASP 345 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sqg h ASP 345 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1sqg h ASP 345 CO 0.00 0.38 -0.14 0.40 -1.72 0.00 0.00 179.24 178.16 1sqg h ILE 346 N 0.00 0.74 -0.31 0.35 1.08 -1.52 0.27 117.51 118.13 1sqg h ILE 346 Ca -0.00 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1sqg h ILE 346 Cb 0.80 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1sqg h ILE 346 CO 0.05 0.07 0.21 -0.65 -0.69 0.00 0.00 178.15 177.14 1sqg h PRO 347 N -0.57 0.32 -0.16 2.37 0.11 -1.76 0.06 132.00 132.37 1sqg h PRO 347 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1sqg h PRO 347 Cb 0.42 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1sqg h PRO 347 CO 0.07 0.21 -0.04 0.93 -0.21 0.00 0.00 178.00 178.96 1sqg h GLU 348 N 0.33 0.31 -0.72 1.05 5.08 -1.53 -1.91 114.58 117.19 1sqg h GLU 348 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1sqg h GLU 348 Cb 0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1sqg h GLU 348 CO -0.03 0.59 0.30 -0.07 -1.00 0.00 0.00 179.01 178.80 1sqg h LEU 349 N 0.02 0.99 -0.98 1.33 3.38 -0.60 -0.90 115.31 118.54 1sqg h LEU 349 Ca 0.04 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1sqg h LEU 349 Cb 0.47 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1sqg h LEU 349 CO 0.02 0.88 0.64 0.00 0.09 0.00 0.00 178.44 180.07 1sqg h ALA 350 N 1.14 1.30 -0.19 1.53 0.00 -0.91 0.06 119.26 122.19 1sqg h ALA 350 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1sqg h ALA 350 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sqg h ALA 350 CO -0.02 0.52 -0.52 0.37 0.00 0.00 0.00 179.25 179.60 1sqg h GLN 351 N 1.23 0.53 -0.35 0.00 5.75 -0.87 -1.64 115.11 119.76 1sqg h GLN 351 Ca 0.39 -0.32 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1sqg h GLN 351 Cb 0.01 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1sqg h GLN 351 CO -0.13 0.92 0.11 1.25 -2.65 0.00 0.00 178.83 178.34 1sqg h LEU 352 N 0.42 0.51 -1.06 -2.39 5.85 -0.64 0.78 115.31 118.77 1sqg h LEU 352 Ca 0.01 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1sqg h LEU 352 Cb 1.05 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1sqg h LEU 352 CO 0.10 0.57 0.63 1.56 -0.34 0.00 0.00 178.44 180.96 1sqg h GLN 353 N 0.41 1.15 -0.47 1.25 4.20 -0.94 0.25 115.11 120.96 1sqg h GLN 353 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1sqg h GLN 353 Cb 0.24 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1sqg h GLN 353 CO -0.00 0.76 0.08 1.03 -0.67 0.00 0.00 178.83 180.03 1sqg h SER 354 N 1.18 0.75 -0.25 1.46 0.87 -0.85 -1.50 113.55 115.21 1sqg h SER 354 Ca 0.39 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1sqg h SER 354 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1sqg h SER 354 CO -0.13 0.81 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.83 1sqg h GLU 355 N 0.65 0.49 -0.46 2.24 4.81 0.48 -2.34 114.58 120.44 1sqg h GLU 355 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1sqg h GLU 355 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1sqg h GLU 355 CO 0.01 0.72 0.22 0.82 -0.73 0.00 0.00 179.01 180.04 1sqg h ILE 356 N 0.23 1.19 -0.72 2.32 1.08 -0.54 -1.05 117.51 120.02 1sqg h ILE 356 Ca 0.06 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 1sqg h ILE 356 Cb 0.54 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.91 1sqg h ILE 356 CO 0.03 0.21 0.38 0.25 -0.69 0.00 0.00 178.15 178.32 1sqg h LEU 357 N 0.61 0.52 -0.55 1.44 5.85 -1.23 -0.69 115.31 121.25 1sqg h LEU 357 Ca 0.16 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1sqg h LEU 357 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1sqg h LEU 357 CO -0.02 0.30 0.23 0.44 -0.34 0.00 0.00 178.44 179.05 1sqg h ASP 358 N 0.65 0.75 0.98 1.25 3.32 -0.82 -2.20 116.42 120.35 1sqg h ASP 358 Ca 0.35 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1sqg h ASP 358 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1sqg h ASP 358 CO -0.25 0.71 -0.52 0.00 -1.72 0.00 0.00 179.24 177.47 1sqg h ALA 359 N 1.07 0.84 0.01 3.45 0.00 -0.45 -3.33 119.26 120.85 1sqg h ALA 359 Ca 0.18 -0.47 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 1sqg h ALA 359 Cb 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1sqg h ALA 359 CO -0.02 0.65 -2.02 1.51 0.00 0.00 0.00 179.25 179.37 1sqg n ILE 360 N -3.48 1.54 -0.29 0.00 0.13 -0.34 -4.36 119.36 112.56 1sqg n ILE 360 Ca 0.00 -0.79 0.10 0.00 -1.10 0.00 0.00 62.75 60.96 1sqg n ILE 360 Cb 0.63 -0.91 0.26 0.00 -0.84 0.00 0.00 39.64 38.78 1sqg n ILE 360 CO 0.00 0.00 0.00 -0.25 2.80 0.00 0.00 176.55 179.10 1sqg h TRP 361 N 0.01 0.61 -0.00 9.51 2.91 -1.50 0.10 115.95 127.58 1sqg h TRP 361 Ca -0.41 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.65 1sqg h TRP 361 Cb 2.09 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 30.61 1sqg h TRP 361 CO 0.01 0.00 0.01 -1.00 -1.03 0.00 0.00 178.44 176.43 1sqg h PRO 362 N 0.43 0.00 -0.26 2.65 0.13 -1.76 -0.72 132.00 132.47 1sqg h PRO 362 Ca 0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.64 1sqg h PRO 362 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1sqg h PRO 362 CO -0.48 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.01 1sqg n HIS 363 N -3.48 0.34 -3.46 1.56 8.25 0.36 -4.78 115.22 114.01 1sqg n HIS 363 Ca -0.03 -0.17 -0.37 0.00 -0.26 0.00 0.00 57.72 56.89 1sqg n HIS 363 Cb 0.08 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 1sqg n HIS 363 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1sqg s LEU 364 N -1.15 4.24 0.70 2.41 2.96 -0.28 -0.82 118.68 126.75 1sqg s LEU 364 Ca 0.23 0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 1sqg s LEU 364 Cb 0.12 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1sqg s LEU 364 CO 0.17 0.06 1.09 -1.59 -1.32 0.00 0.00 176.35 174.76 1sqg s LYS 365 N 0.58 2.63 0.28 1.98 -2.85 0.12 -4.80 119.74 117.68 1sqg s LYS 365 Ca 0.19 1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 56.10 1sqg s LYS 365 Cb -0.14 -1.94 -0.11 0.00 -2.06 0.00 0.00 37.83 33.58 1sqg s LYS 365 CO 0.06 -1.36 1.61 0.99 0.10 0.00 0.00 175.35 176.75 1sqg s THR 366 N -2.65 2.04 0.00 3.79 2.01 -1.26 -1.40 115.64 118.17 1sqg s THR 366 Ca 0.63 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1sqg s THR 366 Cb -0.18 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1sqg s THR 366 CO 0.48 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1sqg n GLY 367 N 2.36 0.88 3.85 4.40 0.00 -0.56 -5.02 105.19 111.11 1sqg n GLY 367 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1sqg n GLY 367 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqg s GLY 368 N -1.87 1.59 -0.19 -0.02 0.00 -0.49 -4.78 107.32 101.56 1sqg s GLY 368 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1sqg s GLY 368 CO 0.00 -0.06 -0.19 -1.59 0.00 0.00 0.00 173.10 171.26 1sqg s THR 369 N -3.44 2.10 -0.17 0.90 2.01 -0.79 -2.85 115.64 113.41 1sqg s THR 369 Ca 0.62 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1sqg s THR 369 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1sqg s THR 369 CO 0.51 0.49 0.07 -0.22 -0.69 0.00 0.00 174.62 174.78 1sqg s LEU 370 N 1.28 3.89 -0.25 4.42 0.20 0.54 -1.05 118.68 127.72 1sqg s LEU 370 Ca 0.04 0.15 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 1sqg s LEU 370 Cb -0.14 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.67 1sqg s LEU 370 CO -0.12 0.22 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.44 1sqg s VAL 371 N 0.07 3.23 -0.23 1.68 1.01 0.14 0.16 120.40 126.45 1sqg s VAL 371 Ca 0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1sqg s VAL 371 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1sqg s VAL 371 CO 0.01 0.25 0.41 -0.47 0.00 0.00 0.00 175.10 175.29 1sqg s TYR 372 N 1.41 3.31 0.09 5.22 5.04 0.46 -0.36 117.35 132.51 1sqg s TYR 372 Ca 0.02 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.26 1sqg s TYR 372 Cb -0.16 -2.57 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 1sqg s TYR 372 CO -0.03 -0.13 -0.16 0.00 -1.34 0.00 0.00 175.55 173.89 1sqg s ALA 373 N 1.73 1.40 0.06 3.97 0.00 0.19 -0.81 121.76 128.31 1sqg s ALA 373 Ca 0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1sqg s ALA 373 Cb -0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1sqg s ALA 373 CO 0.09 0.20 0.03 0.95 0.00 0.00 0.00 175.76 177.03 1sqg s THR 374 N -1.42 0.20 -0.54 0.00 -4.23 -0.84 -1.23 115.64 107.58 1sqg s THR 374 Ca 0.02 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1sqg s THR 374 Cb -0.09 -1.48 0.44 0.00 1.34 0.00 0.00 72.50 72.71 1sqg s THR 374 CO 0.03 -0.90 1.65 0.00 -0.54 0.00 0.00 174.62 174.86 1sqg s SER 376 N -2.53 5.09 0.00 0.00 0.15 -1.26 -0.46 113.70 114.69 1sqg s SER 376 Ca 0.57 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.87 1sqg s SER 376 Cb 0.46 -1.15 0.18 0.00 -1.71 0.00 0.00 66.02 63.80 1sqg s SER 376 CO -0.06 -0.02 1.09 1.33 1.20 0.00 0.00 173.24 176.78 1sqg n VAL 377 N -1.06 0.79 -3.26 4.45 0.24 -1.26 -3.91 118.33 114.32 1sqg n VAL 377 Ca -0.07 -0.89 -0.38 0.00 -2.04 0.00 0.00 64.34 60.95 1sqg n VAL 377 Cb 0.58 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 1sqg n VAL 377 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sqg s LEU 378 N -0.93 4.25 0.46 1.34 1.43 -1.26 -4.97 118.68 119.00 1sqg s LEU 378 Ca 0.15 0.82 0.14 0.00 -1.03 0.00 0.00 54.13 54.21 1sqg s LEU 378 Cb 0.08 -2.74 1.07 0.00 0.03 0.00 0.00 46.19 44.63 1sqg s LEU 378 CO 0.11 -0.06 2.04 1.55 0.23 0.00 0.00 176.35 180.22 1sqg h PRO 379 N 6.91 0.31 0.00 1.29 0.13 -1.97 -2.21 132.00 136.46 1sqg h PRO 379 Ca -0.39 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1sqg h PRO 379 Cb 1.17 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1sqg h PRO 379 CO 0.75 0.20 -0.10 0.93 -0.23 0.00 0.00 178.00 179.55 1sqg h GLU 380 N 0.32 0.00 0.00 0.86 3.07 -1.96 -1.18 114.58 115.69 1sqg h GLU 380 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1sqg h GLU 380 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1sqg h GLU 380 CO -0.04 0.10 -0.74 0.39 -1.40 0.00 0.00 179.01 177.32 1sqg n GLU 381 N -3.95 0.00 0.00 2.33 1.02 -0.84 -3.78 120.64 115.41 1sqg n GLU 381 Ca -0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1sqg n GLU 381 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1sqg n GLU 381 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sqg n ASN 382 N -1.50 0.00 -0.00 1.62 3.02 -0.60 -4.67 115.26 113.13 1sqg n ASN 382 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1sqg n ASN 382 Cb 0.33 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1sqg n ASN 382 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1sqg h SER 383 N 0.00 -0.06 -0.53 6.41 4.64 -1.70 -1.82 113.55 120.49 1sqg h SER 383 Ca 0.00 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1sqg h SER 383 Cb 0.00 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1sqg h SER 383 CO 0.00 -0.02 0.35 -0.07 -0.87 0.00 0.00 176.83 176.23 1sqg h LEU 384 N 0.02 0.39 0.38 5.97 3.38 -1.55 -2.17 115.31 121.74 1sqg h LEU 384 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sqg h LEU 384 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1sqg h LEU 384 CO -0.09 0.25 -0.18 -0.61 0.09 0.00 0.00 178.44 177.90 1sqg h GLN 385 N 0.45 -0.49 -0.72 1.13 5.75 -1.48 -2.64 115.11 117.11 1sqg h GLN 385 Ca 0.23 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1sqg h GLN 385 Cb 0.34 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 1sqg h GLN 385 CO -0.06 -0.24 0.48 0.82 -2.65 0.00 0.00 178.83 177.18 1sqg h ILE 386 N -0.67 1.11 -0.73 2.39 1.08 -0.75 -1.02 117.51 118.91 1sqg h ILE 386 Ca -0.05 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1sqg h ILE 386 Cb 0.48 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1sqg h ILE 386 CO 0.09 0.16 0.28 0.50 -0.69 0.00 0.00 178.15 178.49 1sqg h LYS 387 N 0.87 1.10 -0.55 2.37 1.63 -1.35 -1.01 116.57 119.63 1sqg h LYS 387 Ca 0.29 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1sqg h LYS 387 Cb 0.06 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1sqg h LYS 387 CO -0.08 0.91 0.27 0.00 -3.45 0.00 0.00 179.45 177.09 1sqg h ALA 388 N 1.14 0.71 -0.73 5.00 0.00 -0.84 -1.46 119.26 123.08 1sqg h ALA 388 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sqg h ALA 388 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sqg h ALA 388 CO -0.02 0.27 0.37 0.35 0.00 0.00 0.00 179.25 180.23 1sqg h PHE 389 N 0.75 1.03 -0.41 0.00 3.04 -0.97 -2.65 116.94 117.72 1sqg h PHE 389 Ca 0.19 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1sqg h PHE 389 Cb 0.11 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 1sqg h PHE 389 CO -0.00 0.75 0.24 -0.07 -2.02 0.00 0.00 178.31 177.21 1sqg h LEU 390 N 1.02 0.50 -1.04 0.59 3.38 -0.90 -0.66 115.31 118.19 1sqg h LEU 390 Ca 0.25 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1sqg h LEU 390 Cb 0.09 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1sqg h LEU 390 CO -0.04 0.42 0.63 -0.61 0.09 0.00 0.00 178.44 178.93 1sqg h GLN 391 N 0.54 0.96 -0.47 1.13 4.15 -1.00 -2.53 115.11 117.90 1sqg h GLN 391 Ca 0.15 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1sqg h GLN 391 Cb 0.02 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1sqg h GLN 391 CO -0.03 0.64 0.00 2.89 -1.93 0.00 0.00 178.83 180.40 1sqg n ARG 392 N -4.59 2.52 -3.67 1.69 1.85 -1.01 -4.75 116.66 108.69 1sqg n ARG 392 Ca 0.18 -2.33 -0.29 0.00 -1.00 0.00 0.00 57.85 54.41 1sqg n ARG 392 Cb 0.34 -1.49 -0.13 0.00 -1.05 0.00 0.00 32.46 30.13 1sqg n ARG 392 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sqg s THR 393 N -1.27 1.22 0.31 8.89 2.01 -0.29 -5.01 115.64 121.50 1sqg s THR 393 Ca 0.39 -2.46 0.06 0.00 0.31 0.00 0.00 61.69 59.99 1sqg s THR 393 Cb 0.22 -1.85 0.31 0.00 0.01 0.00 0.00 72.50 71.18 1sqg s THR 393 CO 0.30 -0.92 1.80 0.00 -0.69 0.00 0.00 174.62 175.11 1sqg h ALA 394 N 6.73 1.70 -0.26 7.40 0.00 -1.86 -1.85 119.26 131.12 1sqg h ALA 394 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sqg h ALA 394 Cb 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sqg h ALA 394 CO 0.45 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 1sqg n ASP 395 N -4.70 1.77 -4.87 0.00 5.75 -1.26 -4.83 116.55 108.41 1sqg n ASP 395 Ca 0.22 -2.08 -0.36 0.00 -0.01 0.00 0.00 54.79 52.55 1sqg n ASP 395 Cb 0.54 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1sqg n ASP 395 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqg s ALA 396 N -1.64 3.83 -0.03 2.12 0.00 -0.70 -4.09 121.76 121.26 1sqg s ALA 396 Ca 0.19 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 1sqg s ALA 396 Cb 0.11 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1sqg s ALA 396 CO 0.11 0.60 0.02 -1.83 0.00 0.00 0.00 175.76 174.66 1sqg s GLU 397 N -1.30 0.10 0.53 0.00 -1.05 0.28 -4.97 118.70 112.30 1sqg s GLU 397 Ca 0.21 0.18 -0.21 0.00 -0.15 0.00 0.00 54.97 55.01 1sqg s GLU 397 Cb -0.13 -0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.08 1sqg s GLU 397 CO 0.10 -0.20 1.23 -1.17 0.95 0.00 0.00 175.26 176.18 1sqg s LEU 398 N 1.32 3.84 -0.19 1.83 2.96 -1.26 -0.49 118.68 126.69 1sqg s LEU 398 Ca -0.06 2.45 -0.03 0.00 -0.22 0.00 0.00 54.13 56.28 1sqg s LEU 398 Cb -0.13 -4.39 0.06 0.00 0.50 0.00 0.00 46.19 42.23 1sqg s LEU 398 CO -0.03 -1.33 0.03 0.00 -1.32 0.00 0.00 176.35 173.70 1sqg n GLU 400 N 5.04 0.00 -2.56 0.00 -0.00 -1.26 -4.33 120.64 117.53 1sqg n GLU 400 Ca -0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.66 1sqg n GLU 400 Cb 0.47 -1.24 -0.03 0.00 -0.00 0.00 0.00 31.44 30.64 1sqg n GLU 400 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1sqg s THR 401 N 0.00 3.82 0.00 3.84 -4.23 -1.26 -4.87 115.64 112.93 1sqg s THR 401 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1sqg s THR 401 Cb 0.00 -4.86 0.00 0.00 1.34 0.00 0.00 72.50 68.98 1sqg s THR 401 CO 0.00 -1.70 0.00 0.61 -0.54 0.00 0.00 174.62 172.99 1sqg n GLY 402 N 5.29 -0.20 3.25 3.99 0.00 -1.13 -0.41 105.19 115.97 1sqg n GLY 402 Ca 0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1sqg n GLY 402 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqg s THR 403 N 0.00 0.90 0.58 2.61 -4.23 -0.61 -4.78 115.64 110.12 1sqg s THR 403 Ca 0.00 -2.01 0.28 0.00 -1.18 0.00 0.00 61.69 58.78 1sqg s THR 403 Cb 0.00 -2.00 0.37 0.00 1.34 0.00 0.00 72.50 72.21 1sqg s THR 403 CO 0.00 -0.60 2.00 -0.65 -0.54 0.00 0.00 174.62 174.83 1sqg h PRO 404 N 2.73 0.00 0.22 3.99 0.11 -1.97 0.15 132.00 137.22 1sqg h PRO 404 Ca -0.37 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 1sqg h PRO 404 Cb 1.20 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.33 1sqg h PRO 404 CO 0.64 0.00 -1.42 1.49 -0.21 0.00 0.00 178.00 178.50 1sqg h GLU 405 N 0.00 0.46 -2.44 1.05 4.81 -2.00 -3.40 114.58 113.05 1sqg h GLU 405 Ca 0.16 -0.78 -0.59 0.00 -0.13 0.00 0.00 59.36 58.02 1sqg h GLU 405 Cb 0.84 0.29 -0.39 0.00 0.63 0.00 0.00 28.75 30.12 1sqg h GLU 405 CO -0.00 1.37 -0.91 1.04 -0.73 0.00 0.00 179.01 179.78 1sqg n GLN 406 N -3.66 0.62 -1.77 1.92 6.02 -0.60 -5.04 117.38 114.87 1sqg n GLN 406 Ca -0.14 -3.46 -0.39 0.00 -0.01 0.00 0.00 57.00 52.99 1sqg n GLN 406 Cb 1.08 -1.75 0.03 0.00 1.02 0.00 0.00 30.24 30.62 1sqg n GLN 406 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1sqg s PRO 407 N -0.45 3.51 0.00 -1.09 0.02 0.43 -1.57 135.00 135.85 1sqg s PRO 407 Ca 0.32 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1sqg s PRO 407 Cb 0.04 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 32.02 1sqg s PRO 407 CO -0.18 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 1sqg n GLY 408 N 0.62 -0.84 3.05 0.52 0.00 0.45 -4.21 105.19 104.77 1sqg n GLY 408 Ca 0.07 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1sqg n GLY 408 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqg s LYS 409 N -1.17 1.87 -0.23 1.61 2.20 0.10 -2.86 119.74 121.27 1sqg s LYS 409 Ca 0.00 -0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 1sqg s LYS 409 Cb 0.00 -1.52 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 1sqg s LYS 409 CO 0.00 0.04 0.04 -1.14 -0.36 0.00 0.00 175.35 173.93 1sqg s GLN 410 N 0.65 3.66 0.06 4.03 2.00 -1.26 -1.20 119.66 127.59 1sqg s GLN 410 Ca -0.15 -0.49 -0.08 0.00 -2.00 0.00 0.00 55.36 52.65 1sqg s GLN 410 Cb -0.16 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.38 1sqg s GLN 410 CO 0.04 -0.08 0.35 -0.80 -0.50 0.00 0.00 175.29 174.30 1sqg s ASN 411 N 1.29 6.57 0.07 6.67 -0.87 0.15 -4.98 114.94 123.83 1sqg s ASN 411 Ca 0.04 0.68 0.09 0.00 -1.57 0.00 0.00 52.86 52.11 1sqg s ASN 411 Cb -0.15 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.92 1sqg s ASN 411 CO 0.02 0.19 -0.24 -0.76 -2.57 0.00 0.00 177.10 173.75 1sqg s LEU 412 N -1.92 2.34 0.57 0.60 1.43 -1.26 -2.37 118.68 118.06 1sqg s LEU 412 Ca 0.32 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1sqg s LEU 412 Cb -0.13 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1sqg s LEU 412 CO 0.18 0.24 1.13 -2.16 0.23 0.00 0.00 176.35 175.97 1sqg s PRO 413 N -1.52 3.23 0.11 1.29 0.04 -1.26 -4.64 135.00 132.24 1sqg s PRO 413 Ca 0.13 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 1sqg s PRO 413 Cb -0.10 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1sqg s PRO 413 CO 0.04 -0.95 0.84 0.20 0.04 0.00 0.00 177.00 177.17 1sqg s GLY 414 N -1.88 -0.38 0.45 0.56 0.00 -1.25 -4.79 107.32 100.04 1sqg s GLY 414 Ca 0.72 0.49 0.16 0.00 0.00 0.00 0.00 44.72 46.10 1sqg s GLY 414 CO 0.30 0.15 1.99 0.00 0.00 0.00 0.00 173.10 175.54 1sqg h ALA 415 N 2.00 2.10 -0.12 3.20 0.00 -1.95 -1.45 119.26 123.05 1sqg h ALA 415 Ca -0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1sqg h ALA 415 Cb 1.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1sqg h ALA 415 CO 0.29 -0.24 -0.30 0.39 0.00 0.00 0.00 179.25 179.40 1sqg n GLU 416 N -4.46 1.69 -4.36 0.00 1.02 -1.26 -4.69 120.64 108.57 1sqg n GLU 416 Ca 0.09 -3.19 -0.18 0.00 -0.02 0.00 0.00 57.16 53.86 1sqg n GLU 416 Cb 0.41 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 1sqg n GLU 416 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sqg s GLU 417 N -3.20 1.50 1.10 3.49 0.41 -0.55 -5.05 118.70 116.39 1sqg s GLU 417 Ca 0.40 -1.82 -0.18 0.00 -0.41 0.00 0.00 54.97 52.96 1sqg s GLU 417 Cb 0.37 -0.47 0.25 0.00 -1.78 0.00 0.00 34.13 32.50 1sqg s GLU 417 CO -0.03 -0.26 1.24 0.20 -0.49 0.00 0.00 175.26 175.92 1sqg s GLY 418 N -3.37 1.71 0.96 -1.39 0.00 -1.26 -4.45 107.32 99.52 1sqg s GLY 418 Ca 0.37 -1.17 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1sqg s GLY 418 CO 0.14 -0.30 1.09 0.99 0.00 0.00 0.00 173.10 175.02 1sqg s ASP 419 N -4.49 2.73 0.29 1.64 1.01 -1.26 -3.90 116.67 112.68 1sqg s ASP 419 Ca 0.74 1.70 -0.30 0.00 0.71 0.00 0.00 52.55 55.40 1sqg s ASP 419 Cb -0.05 -2.33 -0.11 0.00 1.01 0.00 0.00 42.92 41.43 1sqg s ASP 419 CO 0.55 -3.14 1.60 -0.83 0.21 0.00 0.00 175.17 173.56 1sqg s GLY 420 N -2.98 2.07 -0.00 0.21 0.00 -0.19 -4.47 107.32 101.94 1sqg s GLY 420 Ca 0.65 1.58 -0.28 0.00 0.00 0.00 0.00 44.72 46.67 1sqg s GLY 420 CO 0.59 2.57 0.80 -0.12 0.00 0.00 0.00 173.10 176.94 1sqg s PHE 421 N 0.06 -0.46 -0.00 1.90 2.19 -1.00 -4.23 117.98 116.44 1sqg s PHE 421 Ca 0.64 0.50 0.01 0.00 0.33 0.00 0.00 56.93 58.40 1sqg s PHE 421 Cb -0.48 0.50 -0.00 0.00 -1.31 0.00 0.00 43.02 41.73 1sqg s PHE 421 CO 0.47 -0.59 -0.02 0.12 1.83 0.00 0.00 175.22 177.03 1sqg s PHE 422 N -2.51 0.17 -0.02 10.12 5.36 -0.23 0.29 117.98 131.16 1sqg s PHE 422 Ca -0.00 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 1sqg s PHE 422 Cb -0.01 -0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 1sqg s PHE 422 CO -0.04 -0.00 -0.18 0.71 -1.46 0.00 0.00 175.22 174.24 1sqg s TYR 423 N -0.04 1.66 -0.03 10.12 1.51 -0.34 -1.99 117.35 128.24 1sqg s TYR 423 Ca 0.01 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1sqg s TYR 423 Cb -0.01 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1sqg s TYR 423 CO -0.00 -0.05 0.04 0.00 -1.11 0.00 0.00 175.55 174.43 1sqg s ALA 424 N -0.34 0.15 -0.17 3.71 0.00 0.01 0.01 121.76 125.12 1sqg s ALA 424 Ca 0.05 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 1sqg s ALA 424 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1sqg s ALA 424 CO -0.00 -0.27 -0.01 -1.59 0.00 0.00 0.00 175.76 173.89 1sqg s LYS 425 N 1.53 3.71 0.09 0.00 0.00 -1.26 -0.41 119.74 123.40 1sqg s LYS 425 Ca -0.03 -0.49 0.08 0.00 0.00 0.00 0.00 55.97 55.53 1sqg s LYS 425 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 37.83 34.65 1sqg s LYS 425 CO -0.03 0.17 -0.21 -0.51 0.00 0.00 0.00 175.35 174.78 1sqg s LEU 426 N 0.57 2.27 0.04 2.77 1.43 0.12 0.05 118.68 125.94 1sqg s LEU 426 Ca -0.01 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1sqg s LEU 426 Cb -0.14 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1sqg s LEU 426 CO 0.02 0.08 -0.10 0.27 0.23 0.00 0.00 176.35 176.85 1sqg s ILE 427 N -1.09 0.77 -2.50 -0.59 -4.36 0.36 -0.34 121.20 113.45 1sqg s ILE 427 Ca 0.06 -1.02 0.20 0.00 -0.26 0.00 0.00 60.65 59.63 1sqg s ILE 427 Cb -0.10 -0.76 0.16 0.00 1.25 0.00 0.00 42.46 43.01 1sqg s ILE 427 CO 0.04 -0.22 1.13 1.17 0.24 0.00 0.00 174.94 177.30