#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx8 n GLY 2 N 0.00 1.20 3.02 0.00 0.00 -1.26 -4.92 105.19 103.22 2qx8 n GLY 2 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2qx8 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx8 s LYS 3 N -2.97 0.44 -0.10 1.61 -0.14 -1.26 -5.06 119.74 112.25 2qx8 s LYS 3 Ca 0.00 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 2qx8 s LYS 3 Cb 0.00 -0.23 -0.02 0.00 -1.68 0.00 0.00 37.83 35.89 2qx8 s LYS 3 CO 0.00 0.04 -0.09 0.15 -0.76 0.00 0.00 175.35 174.69 2qx8 s LYS 4 N -1.19 3.09 -0.05 1.68 1.02 -1.26 -0.78 119.74 122.26 2qx8 s LYS 4 Ca -0.08 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.35 2qx8 s LYS 4 Cb -0.08 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2qx8 s LYS 4 CO 0.00 0.44 -0.19 0.08 -0.92 0.00 0.00 175.35 174.76 2qx8 s VAL 5 N -0.21 1.57 -0.15 3.17 1.01 0.51 0.35 120.40 126.65 2qx8 s VAL 5 Ca 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2qx8 s VAL 5 Cb -0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2qx8 s VAL 5 CO 0.03 0.45 -0.11 -0.22 0.00 0.00 0.00 175.10 175.24 2qx8 s LEU 6 N -0.01 2.78 -0.26 3.92 2.96 -0.17 -1.44 118.68 126.46 2qx8 s LEU 6 Ca -0.04 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2qx8 s LEU 6 Cb -0.12 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2qx8 s LEU 6 CO 0.02 0.13 0.05 -0.63 -1.32 0.00 0.00 176.35 174.61 2qx8 s ILE 7 N 0.54 4.02 -0.35 6.68 1.01 0.32 -1.00 121.20 132.41 2qx8 s ILE 7 Ca -0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 2qx8 s ILE 7 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 2qx8 s ILE 7 CO 0.04 0.28 0.24 -0.69 0.00 0.00 0.00 174.94 174.80 2qx8 s VAL 8 N 1.55 5.14 -0.11 2.92 1.01 0.55 -0.78 120.40 130.68 2qx8 s VAL 8 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2qx8 s VAL 8 Cb -0.16 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2qx8 s VAL 8 CO 0.02 -0.08 -0.16 -0.47 0.00 0.00 0.00 175.10 174.41 2qx8 s TYR 9 N 1.69 2.73 -0.56 5.22 5.04 -0.38 -1.05 117.35 130.04 2qx8 s TYR 9 Ca 0.05 -0.67 0.05 0.00 -2.44 0.00 0.00 57.07 54.07 2qx8 s TYR 9 Cb -0.18 -1.78 0.20 0.00 0.35 0.00 0.00 41.96 40.56 2qx8 s TYR 9 CO 0.10 -0.21 0.51 0.00 -1.34 0.00 0.00 175.55 174.61 2qx8 n ALA 10 N 3.35 3.23 -3.12 3.97 0.00 -0.44 -1.45 120.51 126.04 2qx8 n ALA 10 Ca -0.18 -3.99 -0.12 0.00 0.00 0.00 0.00 53.44 49.15 2qx8 n ALA 10 Cb 0.53 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 2qx8 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qx8 s HIS 11 N -1.21 -0.20 -0.02 0.00 5.04 -1.26 -4.30 115.29 113.34 2qx8 s HIS 11 Ca 0.32 0.48 0.22 0.00 -1.54 0.00 0.00 55.06 54.53 2qx8 s HIS 11 Cb 0.06 0.07 0.62 0.00 0.04 0.00 0.00 32.58 33.37 2qx8 s HIS 11 CO -0.14 -0.17 1.70 1.96 -2.34 0.00 0.00 174.74 175.76 2qx8 h GLN 12 N 5.41 0.00 -4.97 2.88 7.50 -1.99 -3.44 115.11 120.50 2qx8 h GLN 12 Ca -0.27 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.21 2qx8 h GLN 12 Cb 1.19 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.39 2qx8 h GLN 12 CO 0.37 0.26 -0.79 -2.00 -1.50 0.00 0.00 178.83 175.17 2qx8 s GLU 13 N -3.40 2.86 0.45 1.46 2.56 -1.26 -5.00 118.70 116.37 2qx8 s GLU 13 Ca 0.02 -0.94 0.13 0.00 0.00 0.00 0.00 54.97 54.18 2qx8 s GLU 13 Cb 0.09 -2.82 1.05 0.00 2.00 0.00 0.00 34.13 34.44 2qx8 s GLU 13 CO 0.67 -0.33 2.04 -1.35 -0.56 0.00 0.00 175.26 175.72 2qx8 h PRO 14 N 7.96 0.34 -0.01 4.30 0.11 -1.98 -2.02 132.00 140.70 2qx8 h PRO 14 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2qx8 h PRO 14 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2qx8 h PRO 14 CO 0.58 0.23 0.00 1.63 -0.21 0.00 0.00 178.00 180.23 2qx8 n LYS 15 N -4.48 1.14 -1.39 1.05 5.02 -1.26 -4.35 118.16 113.88 2qx8 n LYS 15 Ca 0.05 -0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 55.85 2qx8 n LYS 15 Cb 0.24 -1.43 0.15 0.00 -0.02 0.00 0.00 35.03 33.96 2qx8 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qx8 s SER 16 N -1.86 3.16 0.17 4.39 1.04 -0.76 -4.82 113.70 115.02 2qx8 s SER 16 Ca 0.40 1.05 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 2qx8 s SER 16 Cb 0.19 -1.66 0.07 0.00 0.10 0.00 0.00 66.02 64.72 2qx8 s SER 16 CO 0.32 -2.78 1.75 0.15 0.98 0.00 0.00 173.24 173.66 2qx8 h PHE 17 N -1.65 0.83 -0.81 5.02 3.57 -1.91 0.71 116.94 122.70 2qx8 h PHE 17 Ca -0.52 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 60.97 2qx8 h PHE 17 Cb 1.33 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 2qx8 h PHE 17 CO 0.29 0.64 0.51 -0.91 -2.23 0.00 0.00 178.31 176.62 2qx8 h ASN 18 N 0.77 0.84 -0.61 0.41 2.35 -1.92 -0.45 115.58 116.96 2qx8 h ASN 18 Ca 0.19 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2qx8 h ASN 18 Cb 0.13 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2qx8 h ASN 18 CO -0.02 0.57 0.39 1.23 -1.65 0.00 0.00 177.43 177.94 2qx8 h GLY 19 N 0.98 0.87 1.00 2.83 0.00 -1.49 -0.53 103.07 106.74 2qx8 h GLY 19 Ca 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2qx8 h GLY 19 CO -0.13 0.27 0.34 1.76 0.00 0.00 0.00 176.54 178.78 2qx8 h SER 20 N 0.78 0.86 -0.64 0.19 0.02 0.03 -0.22 113.55 114.57 2qx8 h SER 20 Ca 0.24 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2qx8 h SER 20 Cb -0.03 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2qx8 h SER 20 CO -0.08 0.74 0.24 -0.07 -1.14 0.00 0.00 176.83 176.52 2qx8 h LEU 21 N 0.92 0.92 -0.36 5.07 3.38 -0.70 0.21 115.31 124.76 2qx8 h LEU 21 Ca 0.23 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2qx8 h LEU 21 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qx8 h LEU 21 CO -0.03 0.84 -0.03 0.50 0.09 0.00 0.00 178.44 179.81 2qx8 h LYS 22 N 0.97 0.65 -0.71 1.13 3.11 -0.75 -2.33 116.57 118.65 2qx8 h LYS 22 Ca 0.22 -0.22 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2qx8 h LYS 22 Cb 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 2qx8 h LYS 22 CO -0.02 0.78 0.17 -0.91 -2.81 0.00 0.00 179.45 176.67 2qx8 h ASN 23 N 0.46 1.08 -0.72 4.20 2.35 -0.75 -1.17 115.58 121.02 2qx8 h ASN 23 Ca 0.10 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2qx8 h ASN 23 Cb 0.51 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2qx8 h ASN 23 CO 0.02 1.03 0.43 0.58 -1.65 0.00 0.00 177.43 177.85 2qx8 h VAL 24 N 1.08 1.20 -0.30 2.81 2.07 -0.91 0.69 116.25 122.89 2qx8 h VAL 24 Ca 0.22 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2qx8 h VAL 24 Cb 0.38 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2qx8 h VAL 24 CO 0.00 0.21 0.06 0.00 0.02 0.00 0.00 177.57 177.87 2qx8 h ALA 25 N 1.23 0.40 -0.48 1.67 0.00 -1.01 0.88 119.26 121.94 2qx8 h ALA 25 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qx8 h ALA 25 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qx8 h ALA 25 CO -0.05 0.07 0.27 0.28 0.00 0.00 0.00 179.25 179.82 2qx8 h VAL 26 N 0.32 1.16 0.08 0.00 2.07 -0.94 -1.01 116.25 117.93 2qx8 h VAL 26 Ca 0.09 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qx8 h VAL 26 Cb 0.32 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2qx8 h VAL 26 CO 0.00 0.17 -0.04 0.44 0.02 0.00 0.00 177.57 178.17 2qx8 h ASP 27 N 0.63 -0.09 -0.24 0.57 3.32 -0.46 0.08 116.42 120.23 2qx8 h ASP 27 Ca 0.17 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2qx8 h ASP 27 Cb 0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qx8 h ASP 27 CO -0.03 0.03 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.44 2qx8 h GLU 28 N -0.20 0.43 -0.20 3.56 4.57 -0.81 -0.32 114.58 121.61 2qx8 h GLU 28 Ca -0.01 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 57.90 2qx8 h GLU 28 Cb 0.17 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2qx8 h GLU 28 CO 0.02 0.61 -0.42 -0.07 -1.18 0.00 0.00 179.01 177.96 2qx8 h LEU 29 N 0.20 0.50 -0.57 1.64 3.38 -1.20 -1.83 115.31 117.43 2qx8 h LEU 29 Ca 0.07 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2qx8 h LEU 29 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2qx8 h LEU 29 CO 0.01 0.86 0.01 -1.28 0.09 0.00 0.00 178.44 178.13 2qx8 h SER 30 N 0.39 0.99 -0.57 -0.43 0.87 -0.87 -1.89 113.55 112.04 2qx8 h SER 30 Ca 0.03 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2qx8 h SER 30 Cb 0.90 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2qx8 h SER 30 CO 0.08 1.05 0.36 -0.09 -0.53 0.00 0.00 176.83 177.69 2qx8 h ARG 31 N 0.90 0.77 0.00 2.24 2.43 -0.73 -0.86 114.38 119.14 2qx8 h ARG 31 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2qx8 h ARG 31 Cb 0.54 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2qx8 h ARG 31 CO 0.03 0.53 0.00 1.04 -1.51 0.00 0.00 179.97 180.06 2qx8 n GLN 32 N -4.43 0.16 -0.24 0.20 6.02 -0.72 -4.86 117.38 113.51 2qx8 n GLN 32 Ca 0.05 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2qx8 n GLN 32 Cb 0.07 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.54 2qx8 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qx8 n GLY 33 N 0.10 0.83 3.81 1.08 0.00 -0.33 -3.57 105.19 107.11 2qx8 n GLY 33 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2qx8 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx8 s THR 35 N -2.56 5.00 -0.05 0.00 2.01 0.04 -4.53 115.64 115.56 2qx8 s THR 35 Ca 0.62 1.30 0.04 0.00 0.31 0.00 0.00 61.69 63.97 2qx8 s THR 35 Cb -0.15 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2qx8 s THR 35 CO 0.40 0.12 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.57 2qx8 s VAL 36 N 1.76 1.56 -0.01 3.82 1.01 -1.26 -0.36 120.40 126.92 2qx8 s VAL 36 Ca 0.32 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2qx8 s VAL 36 Cb -0.16 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2qx8 s VAL 36 CO 0.12 0.45 -0.11 -0.89 0.00 0.00 0.00 175.10 174.66 2qx8 s THR 37 N 0.07 0.91 -0.11 3.92 2.01 -0.52 -5.00 115.64 116.91 2qx8 s THR 37 Ca -0.06 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2qx8 s THR 37 Cb -0.13 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2qx8 s THR 37 CO 0.03 0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.33 2qx8 s VAL 38 N -0.29 1.74 -0.52 3.82 1.01 -1.26 -0.52 120.40 124.37 2qx8 s VAL 38 Ca 0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 2qx8 s VAL 38 Cb -0.05 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 34.90 2qx8 s VAL 38 CO -0.00 0.49 0.47 -0.44 0.00 0.00 0.00 175.10 175.61 2qx8 s SER 39 N 0.80 6.12 -0.86 3.32 0.01 0.04 -4.96 113.70 118.17 2qx8 s SER 39 Ca -0.09 -1.75 -0.20 0.00 1.31 0.00 0.00 55.95 55.21 2qx8 s SER 39 Cb -0.16 -2.18 0.11 0.00 0.21 0.00 0.00 66.02 64.00 2qx8 s SER 39 CO 0.00 -0.82 1.09 -0.62 0.41 0.00 0.00 173.24 173.31 2qx8 s ASP 40 N 3.37 6.50 0.22 2.44 -1.08 -1.26 -1.25 116.67 125.61 2qx8 s ASP 40 Ca 0.03 -1.75 -0.09 0.00 -0.52 0.00 0.00 52.55 50.23 2qx8 s ASP 40 Cb -0.29 -2.41 0.21 0.00 -1.46 0.00 0.00 42.92 38.97 2qx8 s ASP 40 CO 0.03 -1.18 1.86 -0.07 0.52 0.00 0.00 175.17 176.33 2qx8 h LEU 41 N 10.75 0.81 -0.69 -1.34 3.38 -1.62 -1.10 115.31 125.49 2qx8 h LEU 41 Ca 0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2qx8 h LEU 41 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2qx8 h LEU 41 CO 1.14 0.56 -0.24 1.88 0.09 0.00 0.00 178.44 181.87 2qx8 h TYR 42 N 0.95 0.85 0.00 1.13 0.05 -1.84 -1.05 116.97 117.07 2qx8 h TYR 42 Ca 0.30 -0.20 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 2qx8 h TYR 42 Cb -0.01 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 2qx8 h TYR 42 CO -0.03 0.92 -0.27 0.00 -1.05 0.00 0.00 178.16 177.72 2qx8 h ALA 43 N 1.08 1.54 -0.00 3.88 0.00 -1.69 -1.70 119.26 122.36 2qx8 h ALA 43 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qx8 h ALA 43 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qx8 h ALA 43 CO 0.06 0.34 -0.08 -1.33 0.00 0.00 0.00 179.25 178.24 2qx8 n MET 44 N -4.19 0.36 -3.95 0.00 2.81 -0.49 -4.91 117.12 106.74 2qx8 n MET 44 Ca -0.02 -0.07 -0.28 0.00 -1.81 0.00 0.00 57.70 55.52 2qx8 n MET 44 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2qx8 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qx8 n ASN 45 N -1.26 -2.50 -4.66 7.83 4.05 -0.64 -4.80 115.26 113.27 2qx8 n ASN 45 Ca 0.12 -0.90 -0.47 0.00 0.45 0.00 0.00 54.58 53.78 2qx8 n ASN 45 Cb 0.29 -3.45 -0.04 0.00 1.23 0.00 0.00 39.78 37.80 2qx8 n ASN 45 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 2qx8 n PHE 46 N -4.46 2.22 -2.18 1.20 7.35 -0.47 -4.90 117.46 116.21 2qx8 n PHE 46 Ca -0.12 0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 56.41 2qx8 n PHE 46 Cb 0.59 -2.54 -0.02 0.00 0.35 0.00 0.00 39.48 37.86 2qx8 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qx8 s GLU 47 N 1.34 4.15 0.15 -4.13 2.56 -1.26 -4.92 118.70 116.58 2qx8 s GLU 47 Ca 0.81 1.91 0.23 0.00 0.00 0.00 0.00 54.97 57.92 2qx8 s GLU 47 Cb -0.71 -3.91 -0.00 0.00 2.00 0.00 0.00 34.13 31.51 2qx8 s GLU 47 CO 0.41 -0.85 1.00 -2.30 -0.56 0.00 0.00 175.26 172.95 2qx8 n PRO 48 N 7.00 0.54 -2.67 4.30 -0.02 -1.26 -4.69 135.00 138.20 2qx8 n PRO 48 Ca 0.16 0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2qx8 n PRO 48 Cb 0.44 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 2qx8 n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qx8 s ARG 49 N -3.34 4.67 -0.62 -0.52 0.52 -1.26 -4.35 118.95 114.05 2qx8 s ARG 49 Ca -0.00 1.53 -0.24 0.00 -0.52 0.00 0.00 55.73 56.50 2qx8 s ARG 49 Cb 0.11 -3.35 0.05 0.00 0.52 0.00 0.00 34.95 32.28 2qx8 s ARG 49 CO 0.80 0.17 1.00 0.00 0.02 0.00 0.00 175.30 177.29 2qx8 s ALA 50 N -0.05 3.08 0.31 2.13 0.00 -1.26 -4.99 121.76 120.98 2qx8 s ALA 50 Ca 0.48 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 51.00 2qx8 s ALA 50 Cb -0.25 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2qx8 s ALA 50 CO 0.31 -2.66 0.17 0.95 0.00 0.00 0.00 175.76 174.53 2qx8 s THR 51 N 4.26 0.31 -1.20 0.00 -4.23 -1.26 -5.02 115.64 108.51 2qx8 s THR 51 Ca 0.28 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.92 2qx8 s THR 51 Cb -0.13 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.37 2qx8 s THR 51 CO 0.15 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.72 2qx8 n ASP 52 N -1.00 0.00 0.00 3.99 5.68 -1.26 -1.52 116.55 122.43 2qx8 n ASP 52 Ca 0.01 0.32 0.10 0.00 -0.50 0.00 0.00 54.79 54.72 2qx8 n ASP 52 Cb 0.65 -0.40 0.49 0.00 -1.14 0.00 0.00 41.12 40.71 2qx8 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qx8 n LYS 53 N -1.40 0.14 0.00 0.11 5.02 -1.26 -2.90 118.16 117.87 2qx8 n LYS 53 Ca 0.05 0.11 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2qx8 n LYS 53 Cb 0.13 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.23 2qx8 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qx8 n ASP 54 N -1.40 0.00 -4.31 4.39 8.00 -0.58 -4.64 116.55 118.01 2qx8 n ASP 54 Ca 0.07 0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.59 2qx8 n ASP 54 Cb 0.21 -0.44 -0.15 0.00 -0.02 0.00 0.00 41.12 40.72 2qx8 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qx8 s ILE 55 N -2.89 2.74 0.19 0.53 1.09 -1.14 -0.97 121.20 120.75 2qx8 s ILE 55 Ca 0.16 -0.77 -0.01 0.00 -1.10 0.00 0.00 60.65 58.93 2qx8 s ILE 55 Cb 0.17 -2.13 -0.04 0.00 -1.06 0.00 0.00 42.46 39.40 2qx8 s ILE 55 CO 0.46 0.53 0.38 0.42 -0.10 0.00 0.00 174.94 176.63 2qx8 s THR 56 N 0.45 5.21 0.00 2.92 -4.23 0.28 -4.89 115.64 115.37 2qx8 s THR 56 Ca -0.12 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2qx8 s THR 56 Cb -0.16 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2qx8 s THR 56 CO 0.05 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2qx8 n GLY 57 N -0.60 -0.62 3.75 3.99 0.00 -1.26 -4.85 105.19 105.60 2qx8 n GLY 57 Ca -0.05 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2qx8 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qx8 s THR 58 N 0.00 3.75 0.50 2.61 2.01 -1.26 -5.05 115.64 118.20 2qx8 s THR 58 Ca 0.00 1.75 -0.16 0.00 0.31 0.00 0.00 61.69 63.59 2qx8 s THR 58 Cb 0.00 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 2qx8 s THR 58 CO 0.00 0.41 0.96 -0.76 -0.69 0.00 0.00 174.62 174.55 2qx8 s LEU 59 N -1.27 3.66 0.16 4.42 1.43 -1.26 -4.98 118.68 120.84 2qx8 s LEU 59 Ca 0.43 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 2qx8 s LEU 59 Cb -0.29 -4.47 0.03 0.00 0.03 0.00 0.00 46.19 41.49 2qx8 s LEU 59 CO 0.37 -0.55 1.59 -1.28 0.23 0.00 0.00 176.35 176.71 2qx8 h SER 60 N 1.02 0.98 -2.11 2.29 0.87 -1.96 -3.38 113.55 111.25 2qx8 h SER 60 Ca -0.47 -0.34 -0.49 0.00 -1.23 0.00 0.00 61.79 59.26 2qx8 h SER 60 Cb 1.18 -0.27 -0.34 0.00 -0.44 0.00 0.00 62.40 62.54 2qx8 h SER 60 CO 0.62 1.09 -0.85 0.21 -0.53 0.00 0.00 176.83 177.37 2qx8 s ASN 61 N -6.55 1.10 0.00 6.23 3.84 -1.26 -5.01 114.94 113.29 2qx8 s ASN 61 Ca -0.12 -2.54 0.00 0.00 0.21 0.00 0.00 52.86 50.41 2qx8 s ASN 61 Cb 0.12 0.08 0.00 0.00 -0.55 0.00 0.00 41.25 40.91 2qx8 s ASN 61 CO 0.85 -0.18 0.36 -0.81 -2.79 0.00 0.00 177.10 174.54 2qx8 n PRO 62 N 3.20 0.52 -0.09 0.43 -0.04 -1.26 -2.79 135.00 134.97 2qx8 n PRO 62 Ca 0.23 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2qx8 n PRO 62 Cb 0.47 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 2qx8 n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2qx8 n GLU 63 N -0.06 0.88 -3.69 0.54 -0.58 -1.26 -4.87 120.64 111.60 2qx8 n GLU 63 Ca 0.00 0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.52 2qx8 n GLU 63 Cb 0.08 -1.39 -0.16 0.00 -0.57 0.00 0.00 31.44 29.40 2qx8 n GLU 63 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2qx8 s VAL 64 N -2.38 0.47 -0.13 2.62 1.01 -1.12 -5.11 120.40 115.76 2qx8 s VAL 64 Ca -0.19 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 2qx8 s VAL 64 Cb 0.06 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2qx8 s VAL 64 CO 0.51 -0.47 1.28 0.12 0.00 0.00 0.00 175.10 176.54 2qx8 s PHE 65 N 1.85 2.86 -0.27 5.22 5.36 -1.26 -4.81 117.98 126.94 2qx8 s PHE 65 Ca 0.05 0.99 0.02 0.00 -0.96 0.00 0.00 56.93 57.03 2qx8 s PHE 65 Cb -0.17 -3.52 0.07 0.00 -0.34 0.00 0.00 43.02 39.06 2qx8 s PHE 65 CO -0.20 -1.79 -0.05 1.21 -1.46 0.00 0.00 175.22 172.93 2qx8 s ASN 66 N 1.96 4.26 0.18 6.13 3.84 -1.26 -5.03 114.94 125.03 2qx8 s ASN 66 Ca 0.56 -1.46 -0.12 0.00 0.21 0.00 0.00 52.86 52.05 2qx8 s ASN 66 Cb -0.23 -1.39 0.14 0.00 -0.55 0.00 0.00 41.25 39.22 2qx8 s ASN 66 CO 0.17 -0.25 1.80 0.22 -2.79 0.00 0.00 177.10 176.26 2qx8 h TYR 67 N 7.83 0.57 -0.16 0.43 3.20 -1.97 -0.37 116.97 126.50 2qx8 h TYR 67 Ca -0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2qx8 h TYR 67 Cb 1.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2qx8 h TYR 67 CO 0.54 0.30 0.07 0.78 -1.64 0.00 0.00 178.16 178.21 2qx8 h GLY 68 N 0.59 0.24 0.88 1.82 0.00 -1.99 -0.56 103.07 104.05 2qx8 h GLY 68 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2qx8 h GLY 68 CO -0.13 0.12 0.07 -2.08 0.00 0.00 0.00 176.54 174.52 2qx8 h VAL 69 N 0.11 1.18 -0.85 4.60 2.07 -1.96 -1.61 116.25 119.79 2qx8 h VAL 69 Ca 0.05 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2qx8 h VAL 69 Cb 0.14 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2qx8 h VAL 69 CO -0.01 0.18 0.46 -0.33 0.02 0.00 0.00 177.57 177.90 2qx8 h GLU 70 N 0.17 1.18 -0.00 1.57 4.39 -0.97 -1.32 114.58 119.61 2qx8 h GLU 70 Ca 0.07 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 2qx8 h GLU 70 Cb 0.22 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2qx8 h GLU 70 CO -0.00 0.87 -0.81 1.79 -1.16 0.00 0.00 179.01 179.69 2qx8 h THR 71 N 1.19 1.53 -0.14 1.13 1.35 -1.03 -0.14 112.91 116.80 2qx8 h THR 71 Ca 0.30 -2.64 -0.01 0.00 -0.55 0.00 0.00 66.41 63.51 2qx8 h THR 71 Cb 0.03 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 2qx8 h THR 71 CO -0.05 0.76 0.05 -0.74 -0.25 0.00 0.00 175.52 175.29 2qx8 h HIS 72 N 0.04 0.22 -0.69 4.73 -0.00 -0.99 0.52 115.15 118.99 2qx8 h HIS 72 Ca -0.02 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 2qx8 h HIS 72 Cb 1.42 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.73 2qx8 h HIS 72 CO 0.01 0.32 0.21 0.93 -0.00 0.00 0.00 177.93 179.40 2qx8 h GLU 73 N 0.06 1.08 -0.54 5.26 4.39 -1.17 -1.92 114.58 121.75 2qx8 h GLU 73 Ca 0.05 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 2qx8 h GLU 73 Cb 0.20 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2qx8 h GLU 73 CO -0.00 0.94 0.09 0.00 -1.16 0.00 0.00 179.01 178.87 2qx8 h ALA 74 N 1.09 1.15 -0.34 3.43 0.00 -0.89 0.36 119.26 124.06 2qx8 h ALA 74 Ca 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qx8 h ALA 74 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qx8 h ALA 74 CO -0.01 0.57 0.16 -0.92 0.00 0.00 0.00 179.25 179.05 2qx8 h TYR 75 N 0.81 0.49 -0.30 0.00 3.20 -0.52 0.23 116.97 120.88 2qx8 h TYR 75 Ca 0.17 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2qx8 h TYR 75 Cb 0.36 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2qx8 h TYR 75 CO 0.02 0.43 -0.09 0.87 -1.64 0.00 0.00 178.16 177.75 2qx8 h LYS 76 N 0.40 0.50 -0.46 1.82 1.57 -0.90 -2.72 116.57 116.78 2qx8 h LYS 76 Ca 0.11 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qx8 h LYS 76 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qx8 h LYS 76 CO -0.01 0.59 0.00 1.04 -0.57 0.00 0.00 179.45 180.50 2qx8 n GLN 77 N -4.23 2.13 -3.82 3.15 1.13 0.07 -4.95 117.38 110.88 2qx8 n GLN 77 Ca 0.01 -1.75 -0.27 0.00 -1.94 0.00 0.00 57.00 53.05 2qx8 n GLN 77 Cb 0.30 -1.39 0.03 0.00 0.11 0.00 0.00 30.24 29.29 2qx8 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qx8 n ARG 78 N 0.93 -5.47 -1.37 -1.09 1.74 0.18 -4.92 116.66 106.66 2qx8 n ARG 78 Ca 0.17 0.62 -0.03 0.00 -0.77 0.00 0.00 57.85 57.84 2qx8 n ARG 78 Cb 0.42 -5.40 0.11 0.00 -1.02 0.00 0.00 32.46 26.57 2qx8 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qx8 n SER 79 N -2.93 2.36 -4.88 0.55 3.41 0.58 -5.03 113.62 107.69 2qx8 n SER 79 Ca -0.09 -3.29 -0.30 0.00 -0.26 0.00 0.00 58.87 54.93 2qx8 n SER 79 Cb 0.58 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2qx8 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qx8 s LEU 80 N -2.76 3.82 0.62 1.04 1.43 -1.25 -0.56 118.68 121.02 2qx8 s LEU 80 Ca 0.39 1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 54.42 2qx8 s LEU 80 Cb 0.38 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2qx8 s LEU 80 CO -0.06 -0.40 1.20 0.00 0.23 0.00 0.00 176.35 177.32 2qx8 n ALA 81 N -1.34 0.91 0.10 4.21 0.00 -0.14 -4.73 120.51 119.52 2qx8 n ALA 81 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2qx8 n ALA 81 Cb 0.54 -2.26 0.47 0.00 0.00 0.00 0.00 19.45 18.20 2qx8 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qx8 h SER 82 N 0.66 0.28 -0.55 0.00 4.64 -1.95 -1.82 113.55 114.80 2qx8 h SER 82 Ca -0.50 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 2qx8 h SER 82 Cb 1.34 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 2qx8 h SER 82 CO 0.53 0.26 0.19 -2.24 -0.87 0.00 0.00 176.83 174.70 2qx8 h ASP 83 N 0.32 0.83 -0.01 4.97 2.03 -2.00 0.27 116.42 122.83 2qx8 h ASP 83 Ca 0.08 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2qx8 h ASP 83 Cb 0.07 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.35 2qx8 h ASP 83 CO -0.01 0.78 -0.01 0.40 -1.03 0.00 0.00 179.24 179.37 2qx8 h ILE 84 N 0.87 1.38 0.00 4.15 2.04 -1.77 -2.85 117.51 121.33 2qx8 h ILE 84 Ca 0.20 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2qx8 h ILE 84 Cb 0.24 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2qx8 h ILE 84 CO -0.01 0.29 -0.28 0.71 0.00 0.00 0.00 178.15 178.87 2qx8 h THR 85 N -0.46 1.17 -0.74 -0.27 1.35 -1.17 -1.04 112.91 111.76 2qx8 h THR 85 Ca 0.00 -0.97 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 2qx8 h THR 85 Cb 0.48 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 2qx8 h THR 85 CO 0.00 0.27 0.30 0.44 -0.25 0.00 0.00 175.52 176.28 2qx8 h ASP 86 N 0.00 1.02 -0.15 5.36 3.32 -0.95 -0.68 116.42 124.34 2qx8 h ASP 86 Ca -0.00 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.71 2qx8 h ASP 86 Cb 0.50 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2qx8 h ASP 86 CO 0.04 0.91 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.65 2qx8 h GLU 87 N 1.06 0.72 -0.40 3.56 4.39 -1.13 -2.74 114.58 120.04 2qx8 h GLU 87 Ca 0.25 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 2qx8 h GLU 87 Cb 0.21 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2qx8 h GLU 87 CO -0.02 1.05 0.08 1.96 -1.16 0.00 0.00 179.01 180.91 2qx8 h GLN 88 N 0.57 0.59 -0.50 2.33 4.20 -0.79 -1.18 115.11 120.33 2qx8 h GLN 88 Ca 0.03 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2qx8 h GLN 88 Cb 1.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2qx8 h GLN 88 CO 0.10 0.56 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.59 2qx8 h LYS 89 N 0.58 0.90 -0.71 1.46 3.64 -1.00 0.23 116.57 121.66 2qx8 h LYS 89 Ca 0.13 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2qx8 h LYS 89 Cb 0.25 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2qx8 h LYS 89 CO -0.00 0.93 0.40 0.87 -2.27 0.00 0.00 179.45 179.39 2qx8 h LYS 90 N 0.76 0.99 -0.31 1.90 1.57 -1.09 -1.67 116.57 118.71 2qx8 h LYS 90 Ca 0.14 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2qx8 h LYS 90 Cb 0.54 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2qx8 h LYS 90 CO 0.03 0.73 -0.06 0.28 -0.57 0.00 0.00 179.45 179.85 2qx8 h VAL 91 N 0.98 1.28 -0.62 0.50 2.07 -0.89 -2.07 116.25 117.50 2qx8 h VAL 91 Ca 0.25 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.74 2qx8 h VAL 91 Cb 0.02 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2qx8 h VAL 91 CO -0.04 0.35 0.32 -0.09 0.02 0.00 0.00 177.57 178.13 2qx8 h ARG 92 N 0.37 0.57 0.00 1.57 2.43 -0.36 -1.99 114.38 116.97 2qx8 h ARG 92 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2qx8 h ARG 92 Cb 0.55 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2qx8 h ARG 92 CO 0.03 0.37 0.00 0.93 -1.51 0.00 0.00 179.97 179.79 2qx8 h GLU 93 N 0.58 0.00 -6.92 0.20 5.08 -1.27 -3.46 114.58 108.80 2qx8 h GLU 93 Ca 0.28 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.15 2qx8 h GLU 93 Cb 0.22 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 2qx8 h GLU 93 CO -0.20 0.00 0.46 0.00 -1.00 0.00 0.00 179.01 178.26 2qx8 s ALA 94 N -3.24 3.19 -0.13 3.43 0.00 -0.75 -4.72 121.76 119.55 2qx8 s ALA 94 Ca 0.07 0.83 0.18 0.00 0.00 0.00 0.00 51.96 53.05 2qx8 s ALA 94 Cb 0.08 -3.32 -0.21 0.00 0.00 0.00 0.00 23.12 19.67 2qx8 s ALA 94 CO 0.61 -0.30 0.55 -0.25 0.00 0.00 0.00 175.76 176.37 2qx8 n ASP 95 N 0.30 0.45 -3.80 0.00 8.00 0.15 -4.88 116.55 116.77 2qx8 n ASP 95 Ca 0.03 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.60 2qx8 n ASP 95 Cb 0.47 0.77 -0.15 0.00 -0.02 0.00 0.00 41.12 42.20 2qx8 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qx8 s LEU 96 N -5.44 1.29 -0.20 0.64 2.96 -0.91 -1.05 118.68 115.97 2qx8 s LEU 96 Ca -0.06 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2qx8 s LEU 96 Cb 0.09 0.15 0.03 0.00 0.50 0.00 0.00 46.19 46.96 2qx8 s LEU 96 CO 0.84 -0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.92 2qx8 s VAL 97 N 0.65 2.18 -0.17 1.68 1.01 -0.27 -1.00 120.40 124.49 2qx8 s VAL 97 Ca -0.05 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 2qx8 s VAL 97 Cb -0.07 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2qx8 s VAL 97 CO -0.02 0.41 0.05 -0.63 0.00 0.00 0.00 175.10 174.90 2qx8 s ILE 98 N 1.26 4.70 -0.23 2.22 1.01 -0.17 -1.38 121.20 128.62 2qx8 s ILE 98 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 2qx8 s ILE 98 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2qx8 s ILE 98 CO -0.11 0.48 0.04 -0.36 0.00 0.00 0.00 174.94 174.99 2qx8 s PHE 99 N 0.24 3.07 -0.22 3.97 0.08 0.01 -0.33 117.98 124.80 2qx8 s PHE 99 Ca 0.03 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 2qx8 s PHE 99 Cb -0.12 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2qx8 s PHE 99 CO 0.01 -0.30 -0.11 -1.14 -0.10 0.00 0.00 175.22 173.57 2qx8 s GLN 100 N 1.34 3.01 0.04 0.44 2.00 -0.22 -0.40 119.66 125.87 2qx8 s GLN 100 Ca 0.05 -0.85 -0.27 0.00 -2.00 0.00 0.00 55.36 52.29 2qx8 s GLN 100 Cb -0.15 -2.84 0.09 0.00 0.80 0.00 0.00 33.01 30.91 2qx8 s GLN 100 CO 0.02 -0.28 0.77 -0.59 -0.50 0.00 0.00 175.29 174.70 2qx8 s PHE 101 N 1.34 -0.45 0.23 1.67 -0.12 -0.74 -1.33 117.98 118.58 2qx8 s PHE 101 Ca 0.03 0.39 -0.21 0.00 -0.05 0.00 0.00 56.93 57.09 2qx8 s PHE 101 Cb -0.15 0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 2qx8 s PHE 101 CO -0.07 -0.65 0.76 -1.25 -0.05 0.00 0.00 175.22 173.96 2qx8 s PRO 102 N -3.00 4.32 -0.01 1.99 0.04 -1.26 -1.60 135.00 135.48 2qx8 s PRO 102 Ca 0.01 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2qx8 s PRO 102 Cb -0.01 -2.89 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 2qx8 s PRO 102 CO -0.08 0.39 1.30 -1.17 0.04 0.00 0.00 177.00 177.48 2qx8 s LEU 103 N -1.94 4.31 -0.22 -3.56 2.96 0.71 -4.28 118.68 116.67 2qx8 s LEU 103 Ca 0.44 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 56.35 2qx8 s LEU 103 Cb -0.17 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2qx8 s LEU 103 CO 0.22 -0.64 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.14 2qx8 s TYR 104 N 2.16 3.03 -1.32 5.38 1.51 -0.47 -4.78 117.35 122.85 2qx8 s TYR 104 Ca 0.60 -1.99 -0.04 0.00 -1.01 0.00 0.00 57.07 54.64 2qx8 s TYR 104 Cb -0.29 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 2qx8 s TYR 104 CO 0.25 -0.84 0.59 0.91 -1.11 0.00 0.00 175.55 175.34 2qx8 n TRP 105 N 4.53 -1.79 -2.05 2.71 7.02 -1.26 -1.68 117.44 124.91 2qx8 n TRP 105 Ca -0.17 0.73 -0.20 0.00 -1.02 0.00 0.00 57.50 56.83 2qx8 n TRP 105 Cb 0.46 -3.92 -0.04 0.00 -2.42 0.00 0.00 31.31 25.39 2qx8 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2qx8 n PHE 106 N -4.30 -0.61 -2.65 -5.99 3.01 -1.26 -4.89 117.46 100.76 2qx8 n PHE 106 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.19 2qx8 n PHE 106 Cb 0.67 -3.65 0.00 0.00 -0.01 0.00 0.00 39.48 36.48 2qx8 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qx8 n SER 107 N -1.68 0.00 -4.86 4.37 2.88 -0.68 -4.84 113.62 108.82 2qx8 n SER 107 Ca -0.22 -0.41 -0.32 0.00 -1.33 0.00 0.00 58.87 56.59 2qx8 n SER 107 Cb 0.67 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.07 2qx8 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qx8 s VAL 108 N -2.60 4.77 0.66 2.46 -7.23 -1.26 -1.37 120.40 115.82 2qx8 s VAL 108 Ca 0.00 0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 60.79 2qx8 s VAL 108 Cb 0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2qx8 s VAL 108 CO 0.00 -0.13 1.03 -2.65 -0.31 0.00 0.00 175.10 173.05 2qx8 n PRO 109 N -0.23 0.78 -0.23 4.82 -0.02 -1.26 -4.61 135.00 134.25 2qx8 n PRO 109 Ca 0.02 0.32 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2qx8 n PRO 109 Cb 0.53 -2.27 0.44 0.00 -0.02 0.00 0.00 33.50 32.18 2qx8 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx8 h ALA 110 N 0.19 1.98 -0.54 3.55 0.00 -1.96 -0.14 119.26 122.34 2qx8 h ALA 110 Ca -0.49 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2qx8 h ALA 110 Cb 1.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2qx8 h ALA 110 CO 0.50 -0.21 0.21 0.97 0.00 0.00 0.00 179.25 180.72 2qx8 h ILE 111 N 0.56 1.20 0.05 0.00 2.10 -1.93 0.76 117.51 120.24 2qx8 h ILE 111 Ca 0.42 -0.61 -0.24 0.00 1.08 0.00 0.00 64.86 65.51 2qx8 h ILE 111 Cb 0.81 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 2qx8 h ILE 111 CO -0.17 0.24 -1.05 0.25 -1.08 0.00 0.00 178.15 176.34 2qx8 h LEU 112 N 0.76 0.47 -1.26 2.19 5.85 -1.43 -2.54 115.31 119.35 2qx8 h LEU 112 Ca 0.18 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2qx8 h LEU 112 Cb 0.15 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2qx8 h LEU 112 CO -0.02 1.26 0.51 0.50 -0.34 0.00 0.00 178.44 180.35 2qx8 h LYS 113 N 0.16 0.94 -0.76 1.25 1.63 -0.58 -1.07 116.57 118.13 2qx8 h LYS 113 Ca -0.10 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.59 2qx8 h LYS 113 Cb 1.72 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 33.11 2qx8 h LYS 113 CO 0.18 0.62 0.26 0.78 -3.45 0.00 0.00 179.45 177.84 2qx8 h GLY 114 N 0.96 1.26 0.99 5.01 0.00 -0.71 0.78 103.07 111.37 2qx8 h GLY 114 Ca 0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2qx8 h GLY 114 CO -0.09 0.68 0.34 -0.25 0.00 0.00 0.00 176.54 177.22 2qx8 h TRP 115 N 1.13 0.81 -0.36 5.60 7.01 -0.93 -0.76 115.95 128.45 2qx8 h TRP 115 Ca 0.25 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 2qx8 h TRP 115 Cb 0.28 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 2qx8 h TRP 115 CO 0.02 0.58 0.20 0.52 -2.79 0.00 0.00 178.44 176.97 2qx8 h MET 116 N 0.81 0.50 -0.44 2.65 2.86 -0.56 0.42 114.93 121.18 2qx8 h MET 116 Ca 0.21 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2qx8 h MET 116 Cb 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2qx8 h MET 116 CO -0.04 0.41 -0.20 -0.44 1.06 0.00 0.00 176.91 177.70 2qx8 h ASP 117 N 0.46 0.88 0.21 1.22 3.32 -0.69 -3.04 116.42 118.78 2qx8 h ASP 117 Ca 0.13 -0.32 -0.34 0.00 0.02 0.00 0.00 57.03 56.52 2qx8 h ASP 117 Cb 0.05 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 2qx8 h ASP 117 CO -0.02 1.06 -2.06 0.54 -1.72 0.00 0.00 179.24 177.03 2qx8 n ARG 118 N -4.12 0.68 0.11 3.56 1.74 -0.31 -4.44 116.66 113.88 2qx8 n ARG 118 Ca 0.00 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 2qx8 n ARG 118 Cb 0.43 -1.66 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 2qx8 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qx8 h VAL 119 N 0.02 1.12 -0.93 1.55 2.07 -1.05 -3.39 116.25 115.63 2qx8 h VAL 119 Ca -0.43 -2.61 -0.74 0.00 0.82 0.00 0.00 66.70 63.75 2qx8 h VAL 119 Cb 2.06 2.91 -0.11 0.00 -1.52 0.00 0.00 31.29 34.64 2qx8 h VAL 119 CO 0.04 0.83 2.49 0.18 0.02 0.00 0.00 177.57 181.13 2qx8 n LEU 120 N -3.67 7.12 -4.94 2.57 4.77 -1.15 -4.82 117.00 116.89 2qx8 n LEU 120 Ca -0.21 -4.56 -0.24 0.00 -0.03 0.00 0.00 56.01 50.97 2qx8 n LEU 120 Cb 1.09 -1.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 2qx8 n LEU 120 CO 0.56 1.50 0.34 0.00 -1.33 0.00 0.00 177.39 178.46 2qx8 s GLN 122 N -4.63 4.21 0.00 0.00 0.74 -1.26 -1.51 119.66 117.22 2qx8 s GLN 122 Ca 0.48 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.31 2qx8 s GLN 122 Cb -0.10 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 30.99 2qx8 s GLN 122 CO 0.40 -0.41 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 2qx8 n GLY 123 N 0.89 2.99 0.10 2.59 0.00 0.33 -4.41 105.19 107.69 2qx8 n GLY 123 Ca 0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 2qx8 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qx8 n PHE 124 N 0.00 0.38 -0.04 1.61 7.35 -0.71 -4.77 117.46 121.27 2qx8 n PHE 124 Ca 0.00 0.16 0.01 0.00 -0.76 0.00 0.00 57.45 56.87 2qx8 n PHE 124 Cb 0.00 -0.78 -0.16 0.00 0.35 0.00 0.00 39.48 38.90 2qx8 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qx8 n ALA 125 N -4.05 2.19 -3.34 3.13 0.00 -0.57 -4.64 120.51 113.23 2qx8 n ALA 125 Ca -0.25 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.22 2qx8 n ALA 125 Cb 0.57 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 2qx8 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qx8 s PHE 126 N -3.04 -0.36 0.31 0.00 -0.71 -1.25 -2.23 117.98 110.69 2qx8 s PHE 126 Ca -0.08 0.08 -0.14 0.00 -1.04 0.00 0.00 56.93 55.74 2qx8 s PHE 126 Cb 0.10 0.47 0.02 0.00 -1.21 0.00 0.00 43.02 42.41 2qx8 s PHE 126 CO 0.87 -0.86 0.64 0.34 -1.34 0.00 0.00 175.22 174.87 2qx8 s ASP 127 N -2.80 0.04 0.19 1.98 -1.08 -0.12 -0.51 116.67 114.38 2qx8 s ASP 127 Ca 0.04 -0.99 -0.20 0.00 -0.52 0.00 0.00 52.55 50.88 2qx8 s ASP 127 Cb -0.01 0.72 0.14 0.00 -1.46 0.00 0.00 42.92 42.31 2qx8 s ASP 127 CO -0.09 -1.38 1.58 0.40 0.52 0.00 0.00 175.17 176.20 2qx8 h ILE 128 N 2.09 0.15 0.00 4.11 1.08 -2.02 -0.84 117.51 122.07 2qx8 h ILE 128 Ca -0.26 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.15 2qx8 h ILE 128 Cb 1.25 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2qx8 h ILE 128 CO 0.34 0.00 -0.67 1.55 -0.69 0.00 0.00 178.15 178.68 2qx8 h PRO 129 N -0.14 0.00 -3.95 2.37 0.13 -1.97 -3.43 132.00 125.01 2qx8 h PRO 129 Ca 0.25 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.60 2qx8 h PRO 129 Cb 0.56 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.44 2qx8 h PRO 129 CO -0.72 0.17 -0.05 0.20 -0.23 0.00 0.00 178.00 177.37 2qx8 s GLY 130 N -4.42 2.41 0.12 1.56 0.00 -0.32 -4.81 107.32 101.84 2qx8 s GLY 130 Ca 0.02 -2.97 -0.23 0.00 0.00 0.00 0.00 44.72 41.54 2qx8 s GLY 130 CO 0.75 1.23 0.57 -0.11 0.00 0.00 0.00 173.10 175.54 2qx8 s PHE 131 N 0.81 -0.49 0.00 1.90 -0.12 -1.21 -0.94 117.98 117.93 2qx8 s PHE 131 Ca 0.11 0.38 0.00 0.00 -0.05 0.00 0.00 56.93 57.37 2qx8 s PHE 131 Cb -0.19 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 2qx8 s PHE 131 CO -0.04 -0.77 0.00 0.66 -0.05 0.00 0.00 175.22 175.02 2qx8 n TYR 132 N -0.10 0.00 0.02 3.49 4.01 0.13 -2.20 117.16 122.51 2qx8 n TYR 132 Ca -0.17 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.77 2qx8 n TYR 132 Cb 0.63 0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.37 2qx8 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qx8 h ASP 133 N 0.00 0.00 -0.60 7.72 3.45 -1.90 0.41 116.42 125.50 2qx8 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qx8 h ASP 133 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qx8 h ASP 133 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 2qx8 n SER 134 N -4.29 4.94 -4.57 6.45 3.41 -0.94 -4.90 113.62 113.72 2qx8 n SER 134 Ca 0.09 -2.61 -0.38 0.00 -0.26 0.00 0.00 58.87 55.72 2qx8 n SER 134 Cb 0.59 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2qx8 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qx8 n GLY 135 N 0.86 -0.69 0.21 5.00 0.00 0.13 -3.30 105.19 107.40 2qx8 n GLY 135 Ca 0.26 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.25 2qx8 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qx8 h LEU 136 N 0.32 0.00 -3.64 0.99 3.38 -1.28 -2.10 115.31 112.98 2qx8 h LEU 136 Ca -0.48 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.26 2qx8 h LEU 136 Cb 1.37 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.98 2qx8 h LEU 136 CO 0.49 0.00 0.30 0.18 0.09 0.00 0.00 178.44 179.50 2qx8 n LEU 137 N -2.58 5.99 -4.75 1.67 4.77 0.19 -4.97 117.00 117.32 2qx8 n LEU 137 Ca -0.00 -3.12 -0.38 0.00 -0.03 0.00 0.00 56.01 52.47 2qx8 n LEU 137 Cb 0.16 -0.75 0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2qx8 n LEU 137 CO 0.19 0.80 0.96 0.00 -1.33 0.00 0.00 177.39 178.01 2qx8 s GLN 138 N -2.88 3.23 0.00 3.23 -2.07 -0.79 -1.97 119.66 118.41 2qx8 s GLN 138 Ca 0.53 2.17 0.00 0.00 -1.82 0.00 0.00 55.36 56.23 2qx8 s GLN 138 Cb 0.42 -2.28 0.00 0.00 -1.09 0.00 0.00 33.01 30.06 2qx8 s GLN 138 CO 0.13 -1.10 0.00 0.41 -1.32 0.00 0.00 175.29 173.41 2qx8 n GLY 139 N 0.68 3.43 3.91 2.60 0.00 -1.26 -4.99 105.19 109.56 2qx8 n GLY 139 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2qx8 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx8 s LYS 140 N -0.86 3.60 0.03 1.61 1.02 -0.83 -4.97 119.74 119.35 2qx8 s LYS 140 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.86 2qx8 s LYS 140 Cb 0.00 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2qx8 s LYS 140 CO 0.00 0.37 0.11 -0.51 -0.92 0.00 0.00 175.35 174.40 2qx8 s LEU 141 N -3.13 3.99 0.03 3.17 1.43 -0.22 -1.20 118.68 122.76 2qx8 s LEU 141 Ca 0.41 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2qx8 s LEU 141 Cb -0.11 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2qx8 s LEU 141 CO 0.27 0.22 -0.04 0.00 0.23 0.00 0.00 176.35 177.03 2qx8 s ALA 142 N -1.33 0.27 -0.15 4.21 0.00 -0.30 -1.11 121.76 123.35 2qx8 s ALA 142 Ca 0.28 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 2qx8 s ALA 142 Cb -0.12 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2qx8 s ALA 142 CO 0.20 -0.14 0.37 -1.17 0.00 0.00 0.00 175.76 175.02 2qx8 s LEU 143 N -1.59 0.03 -0.28 0.00 0.20 -0.48 -0.48 118.68 116.08 2qx8 s LEU 143 Ca -0.13 0.80 -0.15 0.00 0.69 0.00 0.00 54.13 55.34 2qx8 s LEU 143 Cb -0.09 1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 46.83 2qx8 s LEU 143 CO -0.01 -0.19 0.40 -0.76 -0.29 0.00 0.00 176.35 175.50 2qx8 s LEU 144 N 1.37 4.08 -0.37 -0.68 1.43 -1.26 -0.81 118.68 122.44 2qx8 s LEU 144 Ca -0.10 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2qx8 s LEU 144 Cb -0.09 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.77 2qx8 s LEU 144 CO -0.12 -0.22 0.13 -0.55 0.23 0.00 0.00 176.35 175.82 2qx8 s SER 145 N 1.64 5.11 0.02 2.29 0.15 0.46 -0.65 113.70 122.72 2qx8 s SER 145 Ca 0.16 -1.83 0.04 0.00 0.70 0.00 0.00 55.95 55.02 2qx8 s SER 145 Cb -0.16 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2qx8 s SER 145 CO 0.10 -0.45 -0.09 -0.69 1.20 0.00 0.00 173.24 173.31 2qx8 s VAL 146 N 1.15 3.46 0.09 4.45 1.01 0.21 -1.79 120.40 128.98 2qx8 s VAL 146 Ca 0.05 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2qx8 s VAL 146 Cb -0.22 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2qx8 s VAL 146 CO -0.04 0.37 -0.21 0.42 0.00 0.00 0.00 175.10 175.64 2qx8 s THR 147 N -0.99 2.64 0.27 3.92 -4.23 -0.63 -1.02 115.64 115.60 2qx8 s THR 147 Ca 0.17 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 2qx8 s THR 147 Cb -0.11 -2.16 -0.06 0.00 1.34 0.00 0.00 72.50 71.51 2qx8 s THR 147 CO 0.07 0.18 -0.06 0.42 -0.54 0.00 0.00 174.62 174.69 2qx8 s THR 148 N -1.04 1.62 -0.15 3.99 -4.23 -0.99 -0.21 115.64 114.64 2qx8 s THR 148 Ca 0.16 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2qx8 s THR 148 Cb -0.10 -2.41 -0.23 0.00 1.34 0.00 0.00 72.50 71.10 2qx8 s THR 148 CO 0.07 -0.33 0.23 0.61 -0.54 0.00 0.00 174.62 174.66 2qx8 n GLY 149 N -0.56 -0.62 3.80 3.99 0.00 -1.26 -2.05 105.19 108.50 2qx8 n GLY 149 Ca -0.06 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2qx8 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qx8 s GLY 150 N -5.75 2.41 0.65 -0.02 0.00 -1.26 -4.49 107.32 98.87 2qx8 s GLY 150 Ca -0.22 0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 2qx8 s GLY 150 CO 0.74 0.83 1.04 -0.51 0.00 0.00 0.00 173.10 175.20 2qx8 s THR 151 N -2.11 4.40 0.33 0.90 -4.23 -1.26 -3.43 115.64 110.24 2qx8 s THR 151 Ca 0.65 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 2qx8 s THR 151 Cb -0.15 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.28 2qx8 s THR 151 CO 0.21 -1.02 1.90 0.00 -0.54 0.00 0.00 174.62 175.17 2qx8 h ALA 152 N -0.46 1.68 -0.07 3.99 0.00 -1.95 -0.57 119.26 121.88 2qx8 h ALA 152 Ca -0.44 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2qx8 h ALA 152 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qx8 h ALA 152 CO 0.61 0.14 -0.21 1.49 0.00 0.00 0.00 179.25 181.28 2qx8 h GLU 153 N 0.84 0.11 0.00 0.00 4.57 -2.00 -1.07 114.58 117.03 2qx8 h GLU 153 Ca 0.40 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.47 2qx8 h GLU 153 Cb 0.43 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2qx8 h GLU 153 CO -0.17 0.33 -0.39 0.52 -1.18 0.00 0.00 179.01 178.11 2qx8 h MET 154 N 0.11 0.00 -1.73 1.92 2.86 -1.47 -3.13 114.93 113.48 2qx8 h MET 154 Ca 0.02 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.15 2qx8 h MET 154 Cb 0.44 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.90 2qx8 h MET 154 CO 0.03 0.39 0.56 0.66 1.06 0.00 0.00 176.91 179.61 2qx8 n TYR 155 N -3.69 1.99 -4.40 -0.22 4.01 -0.41 -1.66 117.16 112.78 2qx8 n TYR 155 Ca -0.01 -2.15 -0.24 0.00 -0.16 0.00 0.00 57.90 55.35 2qx8 n TYR 155 Cb 0.48 -1.24 -0.09 0.00 -0.31 0.00 0.00 39.34 38.18 2qx8 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qx8 s THR 156 N -3.00 2.78 0.60 -0.72 -4.23 -1.13 -2.95 115.64 106.99 2qx8 s THR 156 Ca 0.51 -2.19 0.29 0.00 -1.18 0.00 0.00 61.69 59.12 2qx8 s THR 156 Cb 0.37 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 72.02 2qx8 s THR 156 CO -0.16 -0.35 1.95 0.11 -0.54 0.00 0.00 174.62 175.63 2qx8 h LYS 157 N 2.08 0.00 -0.11 3.99 1.57 -1.90 0.27 116.57 122.46 2qx8 h LYS 157 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2qx8 h LYS 157 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qx8 h LYS 157 CO 0.62 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.75 2qx8 n THR 158 N -3.63 1.60 -2.85 -0.16 -2.24 -1.26 -4.76 114.28 100.98 2qx8 n THR 158 Ca 0.05 -1.65 -0.24 0.00 -2.27 0.00 0.00 64.05 59.94 2qx8 n THR 158 Cb 0.55 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2qx8 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx8 s GLY 159 N -1.88 1.55 0.41 3.38 0.00 0.95 -4.99 107.32 106.74 2qx8 s GLY 159 Ca 0.24 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.14 2qx8 s GLY 159 CO 0.05 -0.71 2.05 -0.39 0.00 0.00 0.00 173.10 174.10 2qx8 h VAL 160 N 0.28 1.08 0.00 1.40 -1.51 -1.82 -2.69 116.25 112.99 2qx8 h VAL 160 Ca -0.46 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2qx8 h VAL 160 Cb 1.24 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2qx8 h VAL 160 CO 0.59 0.10 -0.49 0.59 -1.23 0.00 0.00 177.57 177.13 2qx8 n ASN 161 N -4.47 0.68 0.00 4.19 3.02 -0.66 -5.07 115.26 112.94 2qx8 n ASN 161 Ca 0.04 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2qx8 n ASN 161 Cb 0.10 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2qx8 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qx8 n GLY 162 N 1.35 -0.77 3.76 7.41 0.00 -1.02 -4.89 105.19 111.04 2qx8 n GLY 162 Ca 0.04 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2qx8 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qx8 s ASP 163 N -2.73 6.58 0.49 1.61 -1.08 -1.21 -2.82 116.67 117.52 2qx8 s ASP 163 Ca 0.00 2.78 0.16 0.00 -0.52 0.00 0.00 52.55 54.98 2qx8 s ASP 163 Cb 0.00 -2.64 1.20 0.00 -1.46 0.00 0.00 42.92 40.02 2qx8 s ASP 163 CO 0.00 -0.73 2.07 0.77 0.52 0.00 0.00 175.17 177.81 2qx8 h SER 164 N 4.25 0.14 -0.03 -0.34 4.64 -1.87 0.05 113.55 120.38 2qx8 h SER 164 Ca -0.48 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2qx8 h SER 164 Cb 1.22 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qx8 h SER 164 CO 0.73 0.09 0.03 0.03 -0.87 0.00 0.00 176.83 176.84 2qx8 h ARG 165 N 0.16 0.00 -0.43 4.77 3.08 -1.90 -2.15 114.38 117.91 2qx8 h ARG 165 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qx8 h ARG 165 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2qx8 h ARG 165 CO -0.02 0.00 0.26 1.88 -1.07 0.00 0.00 179.97 181.02 2qx8 h TYR 166 N 0.00 0.56 0.00 3.04 0.05 -1.15 -2.62 116.97 116.86 2qx8 h TYR 166 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2qx8 h TYR 166 Cb 0.08 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2qx8 h TYR 166 CO 0.00 0.39 -0.00 0.27 -1.05 0.00 0.00 178.16 177.77 2qx8 h PHE 167 N 0.57 0.00 0.00 4.88 -5.15 -1.52 -3.17 116.94 112.54 2qx8 h PHE 167 Ca 0.15 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.91 2qx8 h PHE 167 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.16 2qx8 h PHE 167 CO -0.03 0.00 -0.08 -0.07 -2.00 0.00 0.00 178.31 176.13 2qx8 h LEU 168 N 0.00 0.00 -0.44 2.10 3.38 -1.24 -3.36 115.31 115.75 2qx8 h LEU 168 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2qx8 h LEU 168 Cb 0.76 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 2qx8 h LEU 168 CO 0.00 0.08 -0.24 -0.25 0.09 0.00 0.00 178.44 178.12 2qx8 h TRP 169 N 0.00 -0.63 -0.09 1.13 2.91 -1.52 0.37 115.95 118.12 2qx8 h TRP 169 Ca -0.00 0.05 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 2qx8 h TRP 169 Cb 0.63 0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.62 2qx8 h TRP 169 CO 0.00 -0.32 -0.15 -1.35 -1.03 0.00 0.00 178.44 175.59 2qx8 h PRO 170 N -0.16 0.14 0.00 2.65 0.11 -1.84 -0.62 132.00 132.28 2qx8 h PRO 170 Ca 0.21 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2qx8 h PRO 170 Cb 0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qx8 h PRO 170 CO -0.53 0.30 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.30 2qx8 h LEU 171 N 0.13 0.00 -0.07 2.35 3.38 -1.54 -1.47 115.31 118.08 2qx8 h LEU 171 Ca 0.03 -0.64 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 2qx8 h LEU 171 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qx8 h LEU 171 CO 0.02 0.92 -0.31 1.56 0.09 0.00 0.00 178.44 180.72 2qx8 h GLN 172 N -1.00 0.34 0.00 1.13 4.20 -0.33 -0.84 115.11 118.61 2qx8 h GLN 172 Ca -0.04 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 2qx8 h GLN 172 Cb 0.76 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2qx8 h GLN 172 CO -0.03 0.91 -0.69 1.25 -0.67 0.00 0.00 178.83 179.60 2qx8 h HIS 173 N -0.15 0.00 0.00 2.96 2.76 -1.31 0.10 115.15 119.51 2qx8 h HIS 173 Ca -0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2qx8 h HIS 173 Cb 0.96 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 2qx8 h HIS 173 CO 0.13 0.55 -0.13 0.78 -1.30 0.00 0.00 177.93 177.95 2qx8 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.18 -2.25 103.07 103.90 2qx8 h GLY 174 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2qx8 h GLY 174 CO -0.07 0.00 -0.22 2.41 0.00 0.00 0.00 176.54 178.66 2qx8 n THR 175 N -3.85 0.71 0.17 4.70 -1.04 -0.57 -4.50 114.28 109.91 2qx8 n THR 175 Ca -0.02 0.26 -0.14 0.00 -2.04 0.00 0.00 64.05 62.10 2qx8 n THR 175 Cb 0.23 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 67.08 2qx8 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qx8 h LEU 176 N -0.22 -0.35 -1.00 -4.42 3.38 -1.15 -2.06 115.31 109.49 2qx8 h LEU 176 Ca 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2qx8 h LEU 176 Cb 0.22 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qx8 h LEU 176 CO 0.00 -0.09 0.29 -0.74 0.09 0.00 0.00 178.44 177.98 2qx8 h HIS 177 N -0.61 1.01 -0.67 1.13 2.76 -0.85 -1.85 115.15 116.07 2qx8 h HIS 177 Ca -0.04 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2qx8 h HIS 177 Cb 0.44 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 2qx8 h HIS 177 CO -0.01 0.76 0.44 0.35 -1.30 0.00 0.00 177.93 178.18 2qx8 h PHE 178 N 0.99 0.73 -0.03 5.26 3.57 -1.25 -0.51 116.94 125.70 2qx8 h PHE 178 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2qx8 h PHE 178 Cb 0.17 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2qx8 h PHE 178 CO 0.01 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.50 2qx8 n GLY 180 N 1.00 0.45 3.76 0.00 0.00 -0.20 -0.63 105.19 109.57 2qx8 n GLY 180 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2qx8 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qx8 s PHE 181 N -2.15 2.71 -0.15 1.61 0.08 -0.87 -3.28 117.98 115.93 2qx8 s PHE 181 Ca 0.00 1.47 -0.18 0.00 0.12 0.00 0.00 56.93 58.34 2qx8 s PHE 181 Cb 0.00 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2qx8 s PHE 181 CO 0.00 -1.98 0.48 0.15 -0.10 0.00 0.00 175.22 173.77 2qx8 s LYS 182 N -2.65 4.28 -0.31 0.44 -0.14 -0.34 -4.33 119.74 116.69 2qx8 s LYS 182 Ca 0.64 0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 55.52 2qx8 s LYS 182 Cb -0.34 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.31 2qx8 s LYS 182 CO 0.41 0.06 0.34 0.08 -0.76 0.00 0.00 175.35 175.48 2qx8 s VAL 183 N 0.96 5.19 0.66 3.17 1.01 -1.26 -1.15 120.40 128.98 2qx8 s VAL 183 Ca 0.25 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 2qx8 s VAL 183 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2qx8 s VAL 183 CO 0.10 0.03 1.05 -0.76 0.00 0.00 0.00 175.10 175.51 2qx8 s LEU 184 N 2.00 3.19 0.28 3.92 1.43 0.36 -0.47 118.68 129.40 2qx8 s LEU 184 Ca 0.12 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.45 2qx8 s LEU 184 Cb -0.16 -4.48 -0.13 0.00 0.03 0.00 0.00 46.19 41.45 2qx8 s LEU 184 CO 0.11 -1.17 1.39 0.00 0.23 0.00 0.00 176.35 176.91 2qx8 n ALA 185 N -2.91 1.38 -1.76 4.21 0.00 -1.26 -4.66 120.51 115.50 2qx8 n ALA 185 Ca 0.07 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 2qx8 n ALA 185 Cb 0.54 -2.29 0.02 0.00 0.00 0.00 0.00 19.45 17.71 2qx8 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qx8 s PRO 186 N -0.95 3.23 -0.34 0.00 0.04 -1.26 -4.74 135.00 130.98 2qx8 s PRO 186 Ca 0.63 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 2qx8 s PRO 186 Cb -0.60 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 2qx8 s PRO 186 CO 0.54 -0.99 0.22 -1.14 0.04 0.00 0.00 177.00 175.67 2qx8 s GLN 187 N -3.18 3.35 -0.23 4.56 2.00 0.17 -5.02 119.66 121.30 2qx8 s GLN 187 Ca 0.73 -0.74 -0.02 0.00 -2.00 0.00 0.00 55.36 53.34 2qx8 s GLN 187 Cb -0.29 -3.75 0.02 0.00 0.80 0.00 0.00 33.01 29.79 2qx8 s GLN 187 CO 0.32 -0.49 -0.07 0.42 -0.50 0.00 0.00 175.29 174.97 2qx8 s ILE 188 N 1.67 2.92 -0.54 -2.34 1.01 -1.26 -0.62 121.20 122.04 2qx8 s ILE 188 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2qx8 s ILE 188 Cb -0.18 -2.41 0.13 0.00 0.01 0.00 0.00 42.46 40.02 2qx8 s ILE 188 CO 0.09 0.30 0.44 -0.44 0.00 0.00 0.00 174.94 175.33 2qx8 s SER 189 N 1.36 5.93 0.06 3.58 0.01 -0.19 -5.01 113.70 119.45 2qx8 s SER 189 Ca 0.02 -2.01 -0.30 0.00 1.31 0.00 0.00 55.95 54.97 2qx8 s SER 189 Cb -0.15 -2.08 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2qx8 s SER 189 CO -0.05 -0.72 1.17 -0.36 0.41 0.00 0.00 173.24 173.69 2qx8 s PHE 190 N 1.24 3.47 -1.22 2.43 0.08 -1.26 -2.33 117.98 120.38 2qx8 s PHE 190 Ca 0.07 1.36 -0.29 0.00 0.12 0.00 0.00 56.93 58.19 2qx8 s PHE 190 Cb -0.25 -3.38 0.04 0.00 -0.57 0.00 0.00 43.02 38.85 2qx8 s PHE 190 CO -0.01 -1.11 0.54 0.00 -0.10 0.00 0.00 175.22 174.55 2qx8 n ALA 191 N 3.81 -2.45 0.27 5.36 0.00 -0.87 -4.87 120.51 121.75 2qx8 n ALA 191 Ca 0.08 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.09 2qx8 n ALA 191 Cb 0.47 -2.17 0.75 0.00 0.00 0.00 0.00 19.45 18.51 2qx8 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qx8 h PRO 192 N -2.33 0.00 0.00 0.00 0.13 -1.77 -2.47 132.00 125.57 2qx8 h PRO 192 Ca -0.68 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.39 2qx8 h PRO 192 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 2qx8 h PRO 192 CO 0.53 0.08 -0.27 0.93 -0.23 0.00 0.00 178.00 179.04 2qx8 h GLU 193 N 0.00 0.00 0.00 0.86 5.08 -1.89 -3.02 114.58 115.61 2qx8 h GLU 193 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2qx8 h GLU 193 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2qx8 h GLU 193 CO 0.01 0.27 -1.60 -0.89 -1.00 0.00 0.00 179.01 175.80 2qx8 n ILE 194 N -3.51 0.78 -1.27 3.13 5.41 -1.01 -4.98 119.36 117.91 2qx8 n ILE 194 Ca -0.00 -0.63 -0.31 0.00 1.00 0.00 0.00 62.75 62.80 2qx8 n ILE 194 Cb 0.43 -0.42 0.09 0.00 -0.71 0.00 0.00 39.64 39.03 2qx8 n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qx8 s ALA 195 N -3.12 2.20 0.73 -1.39 0.00 -0.96 -5.03 121.76 114.18 2qx8 s ALA 195 Ca -0.05 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2qx8 s ALA 195 Cb 0.10 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.95 2qx8 s ALA 195 CO 0.83 -1.80 1.08 -1.54 0.00 0.00 0.00 175.76 174.33 2qx8 s SER 196 N -3.20 5.14 0.38 0.00 1.04 -1.26 -4.85 113.70 110.96 2qx8 s SER 196 Ca 0.63 1.30 0.05 0.00 0.48 0.00 0.00 55.95 58.41 2qx8 s SER 196 Cb -0.18 -2.11 0.77 0.00 0.10 0.00 0.00 66.02 64.59 2qx8 s SER 196 CO 0.54 -1.56 2.04 -0.33 0.98 0.00 0.00 173.24 174.91 2qx8 h GLU 197 N -0.80 0.66 -0.44 4.02 5.08 -1.96 -0.19 114.58 120.95 2qx8 h GLU 197 Ca -0.45 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 57.72 2qx8 h GLU 197 Cb 1.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2qx8 h GLU 197 CO 0.61 0.44 -0.29 0.93 -1.00 0.00 0.00 179.01 179.69 2qx8 h GLU 198 N 0.68 0.98 -0.08 2.33 5.08 -1.98 0.16 114.58 121.76 2qx8 h GLU 198 Ca 0.19 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2qx8 h GLU 198 Cb -0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2qx8 h GLU 198 CO -0.04 1.13 -0.40 0.93 -1.00 0.00 0.00 179.01 179.63 2qx8 h GLU 199 N 0.82 0.16 -0.02 2.33 5.08 -1.72 0.14 114.58 121.37 2qx8 h GLU 199 Ca 0.09 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2qx8 h GLU 199 Cb 0.89 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2qx8 h GLU 199 CO 0.08 0.54 -0.05 0.00 -1.00 0.00 0.00 179.01 178.58 2qx8 h ARG 200 N 0.14 0.07 -0.26 2.33 3.08 -0.74 -0.15 114.38 118.85 2qx8 h ARG 200 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qx8 h ARG 200 Cb 0.77 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2qx8 h ARG 200 CO 0.06 0.64 0.12 0.87 -1.07 0.00 0.00 179.97 180.59 2qx8 h LYS 201 N -0.49 0.35 -0.55 0.04 1.79 -0.61 0.51 116.57 117.61 2qx8 h LYS 201 Ca -0.00 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 2qx8 h LYS 201 Cb 0.65 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2qx8 h LYS 201 CO 0.01 0.28 0.14 0.78 -1.08 0.00 0.00 179.45 179.58 2qx8 h GLY 202 N 0.47 0.95 1.62 3.86 0.00 -0.49 -0.17 103.07 109.30 2qx8 h GLY 202 Ca 0.09 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 2qx8 h GLY 202 CO -0.01 0.55 -0.58 -0.33 0.00 0.00 0.00 176.54 176.16 2qx8 h MET 203 N 0.78 0.40 -0.49 4.80 2.86 0.37 -1.47 114.93 122.18 2qx8 h MET 203 Ca 0.17 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 2qx8 h MET 203 Cb 0.34 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2qx8 h MET 203 CO 0.00 0.87 -0.13 0.28 1.06 0.00 0.00 176.91 179.00 2qx8 h VAL 204 N 0.30 1.27 -0.66 -2.22 2.07 -0.81 -2.73 116.25 113.47 2qx8 h VAL 204 Ca -0.00 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 2qx8 h VAL 204 Cb 1.11 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2qx8 h VAL 204 CO 0.10 0.44 0.12 0.00 0.02 0.00 0.00 177.57 178.25 2qx8 h ALA 205 N 0.89 0.97 -0.80 1.67 0.00 -0.85 -1.17 119.26 119.95 2qx8 h ALA 205 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qx8 h ALA 205 Cb 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2qx8 h ALA 205 CO 0.05 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.36 2qx8 h ALA 206 N 1.11 1.20 -0.04 0.00 0.00 -1.18 0.16 119.26 120.52 2qx8 h ALA 206 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qx8 h ALA 206 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qx8 h ALA 206 CO 0.01 0.62 -0.01 2.35 0.00 0.00 0.00 179.25 182.22 2qx8 h TRP 207 N 1.13 0.08 -0.30 0.00 -0.00 -1.17 0.39 115.95 116.08 2qx8 h TRP 207 Ca 0.28 -0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.18 2qx8 h TRP 207 Cb 0.08 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.19 2qx8 h TRP 207 CO 0.01 0.42 0.12 1.03 -0.00 0.00 0.00 178.44 180.03 2qx8 h SER 208 N -0.29 0.16 -0.73 2.65 0.87 -0.93 -1.00 113.55 114.29 2qx8 h SER 208 Ca 0.01 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2qx8 h SER 208 Cb 0.40 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 2qx8 h SER 208 CO 0.00 0.13 0.40 1.56 -0.53 0.00 0.00 176.83 178.40 2qx8 h GLN 209 N 0.27 1.01 -0.89 2.24 4.20 -0.68 -2.53 115.11 118.73 2qx8 h GLN 209 Ca 0.13 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2qx8 h GLN 209 Cb 0.07 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2qx8 h GLN 209 CO -0.11 0.75 0.51 -0.09 -0.67 0.00 0.00 178.83 179.22 2qx8 h ARG 210 N 1.00 1.22 0.00 1.46 2.43 -0.49 -2.33 114.38 117.67 2qx8 h ARG 210 Ca 0.26 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2qx8 h ARG 210 Cb 0.03 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2qx8 h ARG 210 CO -0.04 0.87 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.13 2qx8 h LEU 211 N 1.23 0.00 -1.42 3.80 3.38 -0.78 -2.18 115.31 119.34 2qx8 h LEU 211 Ca 0.32 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.30 2qx8 h LEU 211 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qx8 h LEU 211 CO -0.06 0.09 0.40 1.56 0.09 0.00 0.00 178.44 180.53 2qx8 h GLN 212 N 0.00 0.76 -0.06 1.13 4.20 -1.13 -2.87 115.11 117.14 2qx8 h GLN 212 Ca -0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2qx8 h GLN 212 Cb 0.23 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2qx8 h GLN 212 CO 0.01 0.50 -0.21 0.25 -0.67 0.00 0.00 178.83 178.71 2qx8 n THR 213 N -4.45 2.13 -0.13 -0.54 -2.24 -0.86 -4.81 114.28 103.37 2qx8 n THR 213 Ca 0.07 -2.69 0.09 0.00 -2.27 0.00 0.00 64.05 59.24 2qx8 n THR 213 Cb 0.08 -0.25 0.43 0.00 -2.10 0.00 0.00 70.33 68.48 2qx8 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qx8 h ILE 214 N 0.66 0.95 0.00 2.28 6.09 -1.20 -1.46 117.51 124.83 2qx8 h ILE 214 Ca 0.03 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2qx8 h ILE 214 Cb 1.11 0.33 0.00 0.00 0.47 0.00 0.00 36.82 38.73 2qx8 h ILE 214 CO 0.06 0.11 0.00 0.79 -3.07 0.00 0.00 178.15 176.04 2qx8 n TRP 215 N -4.48 0.00 0.80 2.19 7.02 -1.26 -2.36 117.44 119.35 2qx8 n TRP 215 Ca 0.10 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.70 2qx8 n TRP 215 Cb 0.30 -0.30 0.10 0.00 -2.42 0.00 0.00 31.31 29.00 2qx8 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qx8 n LYS 216 N -1.30 0.13 -2.52 -0.99 4.76 -0.55 -4.96 118.16 112.74 2qx8 n LYS 216 Ca 0.10 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.20 2qx8 n LYS 216 Cb 0.18 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 2qx8 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2qx8 s GLU 217 N -3.09 3.81 -0.01 1.97 2.02 -1.00 -5.06 118.70 117.35 2qx8 s GLU 217 Ca 0.07 1.41 -0.01 0.00 0.02 0.00 0.00 54.97 56.46 2qx8 s GLU 217 Cb 0.16 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 2qx8 s GLU 217 CO 0.77 -0.43 0.10 -1.21 0.02 0.00 0.00 175.26 174.50 2qx8 s GLU 218 N -3.14 3.14 0.79 1.61 0.41 -1.26 -5.10 118.70 115.15 2qx8 s GLU 218 Ca 0.67 -0.45 -0.11 0.00 -0.41 0.00 0.00 54.97 54.67 2qx8 s GLU 218 Cb -0.18 -2.91 0.06 0.00 -1.78 0.00 0.00 34.13 29.33 2qx8 s GLU 218 CO 0.22 0.66 1.09 -1.25 -0.49 0.00 0.00 175.26 175.48 2qx8 s PRO 219 N -1.76 2.15 0.75 0.39 0.04 -1.26 -4.75 135.00 130.56 2qx8 s PRO 219 Ca 0.23 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2qx8 s PRO 219 Cb -0.12 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2qx8 s PRO 219 CO 0.15 -1.72 1.09 0.96 0.04 0.00 0.00 177.00 177.51 2qx8 s ILE 220 N -2.90 3.43 -0.46 0.56 -4.36 0.38 -4.97 121.20 112.88 2qx8 s ILE 220 Ca 0.61 0.46 -0.24 0.00 -0.26 0.00 0.00 60.65 61.22 2qx8 s ILE 220 Cb -0.17 -3.27 0.03 0.00 1.25 0.00 0.00 42.46 40.29 2qx8 s ILE 220 CO 0.56 -0.61 0.87 -2.16 0.24 0.00 0.00 174.94 173.84 2qx8 s PRO 221 N -5.18 3.46 -1.25 0.37 0.04 -1.26 -4.68 135.00 126.51 2qx8 s PRO 221 Ca 0.59 0.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 2qx8 s PRO 221 Cb -0.13 -3.94 0.07 0.00 0.04 0.00 0.00 34.50 30.53 2qx8 s PRO 221 CO 0.54 -1.20 1.68 0.00 0.04 0.00 0.00 177.00 178.06 2qx8 s THR 223 N 4.34 1.22 0.34 0.00 -4.23 -1.26 -4.97 115.64 111.08 2qx8 s THR 223 Ca 0.52 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 2qx8 s THR 223 Cb 0.03 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.36 2qx8 s THR 223 CO 0.05 -0.11 1.85 0.00 -0.54 0.00 0.00 174.62 175.87 2qx8 h ALA 224 N 2.22 1.36 -0.26 3.99 0.00 -2.00 -2.72 119.26 121.84 2qx8 h ALA 224 Ca -0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2qx8 h ALA 224 Cb 1.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2qx8 h ALA 224 CO 0.68 0.44 0.13 0.45 0.00 0.00 0.00 179.25 180.95 2qx8 h HIS 225 N 0.40 0.37 -0.71 0.00 -0.00 -1.94 0.16 115.15 113.42 2qx8 h HIS 225 Ca 0.08 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2qx8 h HIS 225 Cb 0.42 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 2qx8 h HIS 225 CO 0.01 0.34 0.44 2.35 -0.00 0.00 0.00 177.93 181.08 2qx8 h TRP 226 N 0.29 0.83 -0.00 2.45 7.01 -1.74 0.69 115.95 125.48 2qx8 h TRP 226 Ca 0.09 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.99 2qx8 h TRP 226 Cb 0.11 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 26.91 2qx8 h TRP 226 CO -0.02 0.47 -0.47 0.45 -2.79 0.00 0.00 178.44 176.08 2qx8 h HIS 227 N 0.86 0.47 -0.33 2.65 3.86 -1.24 -3.34 115.15 118.08 2qx8 h HIS 227 Ca 0.29 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qx8 h HIS 227 Cb 0.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2qx8 h HIS 227 CO -0.04 1.07 0.00 1.19 0.86 0.00 0.00 177.93 181.01 2qx8 n PHE 228 N -4.33 0.42 0.00 2.45 3.72 0.52 -4.20 117.46 116.04 2qx8 n PHE 228 Ca -0.10 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2qx8 n PHE 228 Cb 0.61 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2qx8 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qx8 n GLY 229 N 1.18 0.95 3.06 1.37 0.00 0.24 -4.99 105.19 107.00 2qx8 n GLY 229 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2qx8 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14