#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr2 n GLY 2 N 0.00 -1.55 2.94 0.00 0.00 -1.26 -5.01 105.19 100.32 2qr2 n GLY 2 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 2qr2 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr2 s LYS 3 N -1.46 0.27 -0.11 1.61 -0.14 -1.26 -5.08 119.74 113.57 2qr2 s LYS 3 Ca 0.00 -0.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.38 2qr2 s LYS 3 Cb 0.00 -0.17 -0.01 0.00 -1.68 0.00 0.00 37.83 35.97 2qr2 s LYS 3 CO 0.00 0.04 -0.17 0.15 -0.76 0.00 0.00 175.35 174.61 2qr2 s LYS 4 N -0.46 3.13 -0.07 1.68 1.02 -1.26 -0.78 119.74 123.00 2qr2 s LYS 4 Ca -0.03 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.25 2qr2 s LYS 4 Cb -0.03 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2qr2 s LYS 4 CO -0.00 0.27 -0.18 0.08 -0.92 0.00 0.00 175.35 174.60 2qr2 s VAL 5 N 0.17 1.55 -0.18 3.17 1.01 0.92 0.28 120.40 127.31 2qr2 s VAL 5 Ca -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2qr2 s VAL 5 Cb -0.16 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2qr2 s VAL 5 CO 0.06 0.45 -0.09 -0.22 0.00 0.00 0.00 175.10 175.29 2qr2 s LEU 6 N 0.33 2.76 -0.39 3.92 2.96 0.01 -0.91 118.68 127.37 2qr2 s LEU 6 Ca -0.12 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 2qr2 s LEU 6 Cb -0.15 -1.67 0.07 0.00 0.50 0.00 0.00 46.19 44.94 2qr2 s LEU 6 CO 0.05 0.05 0.19 -0.63 -1.32 0.00 0.00 176.35 174.68 2qr2 s ILE 7 N 1.06 3.79 -0.74 6.68 1.01 0.54 -0.59 121.20 132.97 2qr2 s ILE 7 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 60.65 58.94 2qr2 s ILE 7 Cb -0.15 -3.33 0.07 0.00 0.01 0.00 0.00 42.46 39.07 2qr2 s ILE 7 CO -0.01 -0.43 1.09 -0.69 0.00 0.00 0.00 174.94 174.90 2qr2 s VAL 8 N 1.34 4.20 -0.05 2.92 1.01 0.69 -0.56 120.40 129.95 2qr2 s VAL 8 Ca 0.02 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2qr2 s VAL 8 Cb -0.22 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.33 2qr2 s VAL 8 CO 0.01 -1.59 0.45 -0.47 0.00 0.00 0.00 175.10 173.49 2qr2 s TYR 9 N 4.35 3.63 -0.47 5.22 5.04 0.03 -1.70 117.35 133.45 2qr2 s TYR 9 Ca 0.28 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.91 2qr2 s TYR 9 Cb -0.12 -2.43 0.16 0.00 0.35 0.00 0.00 41.96 39.92 2qr2 s TYR 9 CO 0.07 0.42 0.34 0.00 -1.34 0.00 0.00 175.55 175.04 2qr2 s ALA 10 N -0.29 1.91 -0.20 3.97 0.00 -0.12 -1.83 121.76 125.20 2qr2 s ALA 10 Ca 0.25 -2.67 -0.27 0.00 0.00 0.00 0.00 51.96 49.27 2qr2 s ALA 10 Cb -0.16 -1.74 0.07 0.00 0.00 0.00 0.00 23.12 21.28 2qr2 s ALA 10 CO 0.12 -2.02 0.71 -1.58 0.00 0.00 0.00 175.76 172.98 2qr2 s HIS 11 N -0.08 -0.75 0.10 0.00 5.04 -1.26 -4.37 115.29 113.98 2qr2 s HIS 11 Ca 0.28 1.68 -0.11 0.00 -1.54 0.00 0.00 55.06 55.37 2qr2 s HIS 11 Cb -0.05 0.31 -0.16 0.00 0.04 0.00 0.00 32.58 32.73 2qr2 s HIS 11 CO -0.14 -0.45 1.27 1.96 -2.34 0.00 0.00 174.74 175.04 2qr2 h GLN 12 N 4.40 0.64 -5.10 2.88 7.50 -1.99 -3.44 115.11 120.00 2qr2 h GLN 12 Ca -0.28 -0.63 -0.63 0.00 0.50 0.00 0.00 58.65 57.61 2qr2 h GLN 12 Cb 1.15 0.16 -0.16 0.00 0.05 0.00 0.00 27.48 28.68 2qr2 h GLN 12 CO 0.15 1.23 -0.54 -2.00 -1.50 0.00 0.00 178.83 176.18 2qr2 s GLU 13 N -3.45 3.97 0.42 1.46 2.56 -1.26 -4.99 118.70 117.41 2qr2 s GLU 13 Ca -0.09 -0.33 0.17 0.00 0.00 0.00 0.00 54.97 54.72 2qr2 s GLU 13 Cb 0.08 -3.43 0.94 0.00 2.00 0.00 0.00 34.13 33.72 2qr2 s GLU 13 CO 0.90 0.06 1.91 -1.35 -0.56 0.00 0.00 175.26 176.22 2qr2 h PRO 14 N 7.49 0.00 -0.15 4.30 0.11 -1.98 -2.71 132.00 139.05 2qr2 h PRO 14 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2qr2 h PRO 14 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qr2 h PRO 14 CO 0.65 0.27 0.00 1.63 -0.21 0.00 0.00 178.00 180.34 2qr2 n LYS 15 N -4.01 1.45 -2.08 1.05 5.02 -1.26 -4.26 118.16 114.07 2qr2 n LYS 15 Ca -0.02 -0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 55.28 2qr2 n LYS 15 Cb 0.34 -1.26 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 2qr2 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qr2 s SER 16 N -1.31 5.91 0.43 4.39 1.04 -1.02 -4.87 113.70 118.27 2qr2 s SER 16 Ca 0.23 1.15 0.15 0.00 0.48 0.00 0.00 55.95 57.95 2qr2 s SER 16 Cb 0.12 -2.16 1.03 0.00 0.10 0.00 0.00 66.02 65.11 2qr2 s SER 16 CO 0.17 -0.99 1.94 0.15 0.98 0.00 0.00 173.24 175.49 2qr2 h PHE 17 N -0.31 0.49 -0.33 5.02 3.57 -1.91 0.16 116.94 123.63 2qr2 h PHE 17 Ca -0.45 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 2qr2 h PHE 17 Cb 1.22 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2qr2 h PHE 17 CO 0.57 0.20 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.83 2qr2 h ASN 18 N 0.43 0.66 -0.79 0.41 2.35 -1.92 -0.98 115.58 115.75 2qr2 h ASN 18 Ca 0.34 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2qr2 h ASN 18 Cb 0.74 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 2qr2 h ASN 18 CO -0.11 0.89 0.43 1.23 -1.65 0.00 0.00 177.43 178.23 2qr2 h GLY 19 N 0.43 1.18 0.94 2.83 0.00 -0.98 -1.61 103.07 105.86 2qr2 h GLY 19 Ca 0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2qr2 h GLY 19 CO 0.04 0.52 0.15 1.76 0.00 0.00 0.00 176.54 179.01 2qr2 h SER 20 N 1.09 0.42 -0.54 0.19 0.02 -0.83 0.25 113.55 114.15 2qr2 h SER 20 Ca 0.28 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2qr2 h SER 20 Cb 0.04 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2qr2 h SER 20 CO -0.04 0.43 0.33 -0.07 -1.14 0.00 0.00 176.83 176.34 2qr2 h LEU 21 N 0.38 0.65 -0.11 5.07 3.38 -0.84 0.73 115.31 124.57 2qr2 h LEU 21 Ca 0.11 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2qr2 h LEU 21 Cb 0.12 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qr2 h LEU 21 CO -0.01 0.50 -0.50 0.50 0.09 0.00 0.00 178.44 179.02 2qr2 h LYS 22 N 0.76 0.54 -0.55 1.13 3.11 -0.92 -2.39 116.57 118.25 2qr2 h LYS 22 Ca 0.20 -0.43 -0.01 0.00 -2.81 0.00 0.00 60.65 57.61 2qr2 h LYS 22 Cb -0.03 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 2qr2 h LYS 22 CO -0.04 1.05 0.31 -0.91 -2.81 0.00 0.00 179.45 177.06 2qr2 h ASN 23 N 0.15 0.67 -0.53 4.20 2.35 -0.47 -1.61 115.58 120.34 2qr2 h ASN 23 Ca -0.03 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2qr2 h ASN 23 Cb 1.14 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 2qr2 h ASN 23 CO 0.10 0.55 0.31 0.58 -1.65 0.00 0.00 177.43 177.32 2qr2 h VAL 24 N 0.73 1.17 -0.50 2.81 2.07 -0.90 -0.68 116.25 120.95 2qr2 h VAL 24 Ca 0.19 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2qr2 h VAL 24 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2qr2 h VAL 24 CO -0.03 0.17 0.30 0.00 0.02 0.00 0.00 177.57 178.02 2qr2 h ALA 25 N 1.15 0.64 -0.77 1.67 0.00 -1.09 -0.31 119.26 120.55 2qr2 h ALA 25 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2qr2 h ALA 25 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2qr2 h ALA 25 CO -0.03 -0.01 0.51 0.28 0.00 0.00 0.00 179.25 179.99 2qr2 h VAL 26 N 0.59 1.19 0.77 0.00 2.07 -0.90 -1.67 116.25 118.29 2qr2 h VAL 26 Ca 0.20 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2qr2 h VAL 26 Cb 0.03 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2qr2 h VAL 26 CO -0.10 0.19 -0.41 0.44 0.02 0.00 0.00 177.57 177.71 2qr2 h ASP 27 N 1.03 -0.99 -0.23 0.57 3.32 0.06 0.38 116.42 120.55 2qr2 h ASP 27 Ca 0.28 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.40 2qr2 h ASP 27 Cb -0.11 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2qr2 h ASP 27 CO -0.06 -0.66 0.07 -0.08 -1.72 0.00 0.00 179.24 176.79 2qr2 h GLU 28 N -1.08 0.17 -0.57 3.56 4.57 -1.09 0.13 114.58 120.28 2qr2 h GLU 28 Ca -0.10 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 2qr2 h GLU 28 Cb 0.84 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 2qr2 h GLU 28 CO 0.15 0.11 0.16 -0.07 -1.18 0.00 0.00 179.01 178.18 2qr2 h LEU 29 N 0.18 0.80 -0.39 1.64 3.38 -1.33 0.48 115.31 120.06 2qr2 h LEU 29 Ca 0.10 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2qr2 h LEU 29 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2qr2 h LEU 29 CO -0.11 0.76 -0.36 -1.28 0.09 0.00 0.00 178.44 177.54 2qr2 h SER 30 N 0.83 1.00 -0.83 -0.43 0.87 -0.54 -0.07 113.55 114.39 2qr2 h SER 30 Ca 0.19 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2qr2 h SER 30 Cb 0.27 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 2qr2 h SER 30 CO -0.01 1.25 0.48 -0.09 -0.53 0.00 0.00 176.83 177.94 2qr2 h ARG 31 N 0.76 1.14 0.00 2.24 2.43 -0.20 0.10 114.38 120.86 2qr2 h ARG 31 Ca 0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2qr2 h ARG 31 Cb 0.96 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2qr2 h ARG 31 CO 0.09 0.82 0.00 1.04 -1.51 0.00 0.00 179.97 180.41 2qr2 n GLN 32 N -4.36 0.06 -0.66 0.20 6.02 0.11 -4.84 117.38 113.92 2qr2 n GLN 32 Ca 0.09 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2qr2 n GLN 32 Cb 0.08 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2qr2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qr2 n GLY 33 N -0.18 0.61 3.86 1.08 0.00 0.36 -5.05 105.19 105.86 2qr2 n GLY 33 Ca 0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 2qr2 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr2 s THR 35 N -3.04 4.86 -0.11 0.00 2.01 0.04 -4.55 115.64 114.84 2qr2 s THR 35 Ca 0.56 0.77 0.03 0.00 0.31 0.00 0.00 61.69 63.36 2qr2 s THR 35 Cb -0.11 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 2qr2 s THR 35 CO 0.49 -0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.23 2qr2 s VAL 36 N 2.80 2.29 0.02 3.82 1.01 -1.26 -0.06 120.40 129.03 2qr2 s VAL 36 Ca 0.27 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.39 2qr2 s VAL 36 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2qr2 s VAL 36 CO 0.14 0.55 -0.22 -0.89 0.00 0.00 0.00 175.10 174.68 2qr2 s THR 37 N 0.43 1.76 -0.06 3.92 2.01 -0.09 -4.99 115.64 118.62 2qr2 s THR 37 Ca -0.15 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 60.73 2qr2 s THR 37 Cb -0.17 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.85 2qr2 s THR 37 CO 0.06 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 2qr2 s VAL 38 N -0.71 1.16 -0.59 3.82 1.01 -1.26 -0.34 120.40 123.50 2qr2 s VAL 38 Ca 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2qr2 s VAL 38 Cb -0.09 -1.06 0.15 0.00 0.00 0.00 0.00 36.38 35.39 2qr2 s VAL 38 CO 0.01 0.36 0.47 -0.44 0.00 0.00 0.00 175.10 175.50 2qr2 s SER 39 N 0.61 5.85 -1.14 3.32 0.01 0.27 -4.95 113.70 117.68 2qr2 s SER 39 Ca -0.14 -2.31 -0.19 0.00 1.31 0.00 0.00 55.95 54.63 2qr2 s SER 39 Cb -0.15 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.15 2qr2 s SER 39 CO 0.04 -0.60 1.48 -0.62 0.41 0.00 0.00 173.24 173.95 2qr2 s ASP 40 N 2.13 6.76 0.21 2.44 -1.08 -1.26 -0.79 116.67 125.07 2qr2 s ASP 40 Ca 0.11 -2.21 -0.18 0.00 -0.52 0.00 0.00 52.55 49.74 2qr2 s ASP 40 Cb -0.21 -2.51 0.18 0.00 -1.46 0.00 0.00 42.92 38.92 2qr2 s ASP 40 CO -0.03 -1.16 1.58 -0.07 0.52 0.00 0.00 175.17 176.01 2qr2 h LEU 41 N 11.64 -1.16 -0.61 -1.34 3.38 -1.74 -0.35 115.31 125.12 2qr2 h LEU 41 Ca 0.30 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2qr2 h LEU 41 Cb 0.94 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 2qr2 h LEU 41 CO 1.34 -0.29 0.39 1.88 0.09 0.00 0.00 178.44 181.85 2qr2 h TYR 42 N -0.10 0.78 -0.49 1.13 0.05 -1.85 0.40 116.97 116.89 2qr2 h TYR 42 Ca 0.28 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 2qr2 h TYR 42 Cb 0.57 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2qr2 h TYR 42 CO -0.69 0.51 0.22 0.00 -1.05 0.00 0.00 178.16 177.14 2qr2 h ALA 43 N 1.21 1.46 0.00 3.88 0.00 -1.62 0.55 119.26 124.74 2qr2 h ALA 43 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qr2 h ALA 43 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2qr2 h ALA 43 CO -0.05 0.42 -0.00 0.52 0.00 0.00 0.00 179.25 180.15 2qr2 h MET 44 N 0.69 0.00 -5.98 0.00 2.86 -0.35 -3.47 114.93 108.68 2qr2 h MET 44 Ca 0.17 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.41 2qr2 h MET 44 Cb 0.11 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.85 2qr2 h MET 44 CO -0.02 0.00 -0.78 -1.71 1.06 0.00 0.00 176.91 175.46 2qr2 n ASN 45 N -2.49 -2.91 -4.68 1.22 5.15 0.13 -4.86 115.26 106.82 2qr2 n ASN 45 Ca 0.05 -0.72 -0.44 0.00 -0.60 0.00 0.00 54.58 52.87 2qr2 n ASN 45 Cb 0.46 -4.46 -0.02 0.00 -0.53 0.00 0.00 39.78 35.23 2qr2 n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2qr2 n PHE 46 N -4.43 2.19 -2.48 1.20 7.35 -0.62 -4.93 117.46 115.73 2qr2 n PHE 46 Ca -0.18 0.46 -0.43 0.00 -0.76 0.00 0.00 57.45 56.54 2qr2 n PHE 46 Cb 0.63 -2.45 -0.02 0.00 0.35 0.00 0.00 39.48 37.99 2qr2 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qr2 s GLU 47 N -0.75 4.01 0.22 -4.13 2.56 -1.26 -4.90 118.70 114.45 2qr2 s GLU 47 Ca 0.65 1.28 0.21 0.00 0.00 0.00 0.00 54.97 57.11 2qr2 s GLU 47 Cb -0.63 -3.82 0.04 0.00 2.00 0.00 0.00 34.13 31.71 2qr2 s GLU 47 CO 0.53 -0.99 1.13 -1.35 -0.56 0.00 0.00 175.26 174.01 2qr2 h PRO 48 N 8.79 0.00 -6.46 4.30 0.11 -1.88 -3.43 132.00 133.43 2qr2 h PRO 48 Ca -0.25 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.33 2qr2 h PRO 48 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qr2 h PRO 48 CO 1.02 0.09 0.68 1.03 -0.21 0.00 0.00 178.00 180.62 2qr2 s ARG 49 N -3.22 4.36 -0.84 1.05 0.52 -1.26 -4.38 118.95 115.18 2qr2 s ARG 49 Ca 0.01 1.89 -0.19 0.00 -0.52 0.00 0.00 55.73 56.92 2qr2 s ARG 49 Cb 0.08 -3.39 0.12 0.00 0.52 0.00 0.00 34.95 32.29 2qr2 s ARG 49 CO 0.77 -0.40 1.03 0.00 0.02 0.00 0.00 175.30 176.72 2qr2 s ALA 50 N 1.50 3.38 0.53 2.13 0.00 -1.26 -4.98 121.76 123.07 2qr2 s ALA 50 Ca 0.61 -2.60 0.01 0.00 0.00 0.00 0.00 51.96 49.98 2qr2 s ALA 50 Cb -0.32 -3.92 0.01 0.00 0.00 0.00 0.00 23.12 18.89 2qr2 s ALA 50 CO 0.28 -2.83 0.06 0.25 0.00 0.00 0.00 175.76 173.52 2qr2 n THR 51 N 5.46 0.00 0.34 0.00 -2.24 -1.26 -5.02 114.28 111.55 2qr2 n THR 51 Ca 0.15 -2.44 0.13 0.00 -2.27 0.00 0.00 64.05 59.62 2qr2 n THR 51 Cb 0.48 0.42 0.57 0.00 -2.10 0.00 0.00 70.33 69.70 2qr2 n THR 51 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2qr2 h ASP 52 N 1.18 0.00 0.51 3.42 2.03 -1.96 -2.56 116.42 119.04 2qr2 h ASP 52 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2qr2 h ASP 52 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2qr2 h ASP 52 CO 0.70 0.00 0.00 0.11 -1.03 0.00 0.00 179.24 179.02 2qr2 h LYS 53 N 0.00 0.00 0.00 4.15 1.57 -1.96 -2.23 116.57 118.10 2qr2 h LYS 53 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qr2 h LYS 53 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qr2 h LYS 53 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2qr2 n ASP 54 N -2.45 0.00 -4.24 0.86 8.00 -0.96 -4.59 116.55 113.17 2qr2 n ASP 54 Ca 0.00 0.41 -0.33 0.00 0.71 0.00 0.00 54.79 55.59 2qr2 n ASP 54 Cb 0.17 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 2qr2 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qr2 s ILE 55 N -2.92 2.46 -0.27 0.53 1.09 -0.84 -0.74 121.20 120.51 2qr2 s ILE 55 Ca 0.10 -0.85 -0.10 0.00 -1.10 0.00 0.00 60.65 58.71 2qr2 s ILE 55 Cb 0.12 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.46 2qr2 s ILE 55 CO 0.31 0.53 0.14 -0.89 -0.10 0.00 0.00 174.94 174.93 2qr2 s THR 56 N 0.77 4.91 0.00 2.92 2.01 0.11 -4.93 115.64 121.44 2qr2 s THR 56 Ca -0.07 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2qr2 s THR 56 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2qr2 s THR 56 CO 0.00 0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 2qr2 n GLY 57 N 4.98 -0.11 3.67 4.40 0.00 -1.26 -4.70 105.19 112.16 2qr2 n GLY 57 Ca -0.15 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.21 2qr2 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qr2 s THR 58 N 0.00 4.66 0.43 2.61 -4.23 -1.26 -5.01 115.64 112.83 2qr2 s THR 58 Ca 0.00 1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 62.24 2qr2 s THR 58 Cb 0.00 -4.28 -0.08 0.00 1.34 0.00 0.00 72.50 69.48 2qr2 s THR 58 CO 0.00 -0.12 1.27 -0.76 -0.54 0.00 0.00 174.62 174.47 2qr2 s LEU 59 N 2.87 4.15 0.58 4.79 1.43 -1.26 -4.88 118.68 126.35 2qr2 s LEU 59 Ca 0.46 2.58 0.28 0.00 -1.03 0.00 0.00 54.13 56.42 2qr2 s LEU 59 Cb -0.17 -4.00 1.54 0.00 0.03 0.00 0.00 46.19 43.59 2qr2 s LEU 59 CO 0.10 -0.91 2.01 0.77 0.23 0.00 0.00 176.35 178.56 2qr2 h SER 60 N 2.46 0.00 -1.16 2.29 4.64 -1.95 -3.32 113.55 116.51 2qr2 h SER 60 Ca -0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 2qr2 h SER 60 Cb 1.25 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.13 2qr2 h SER 60 CO 0.62 0.00 -0.50 0.21 -0.87 0.00 0.00 176.83 176.29 2qr2 s ASN 61 N -5.69 -1.08 0.00 4.97 3.84 -1.26 -5.01 114.94 110.71 2qr2 s ASN 61 Ca -0.05 -1.03 0.22 0.00 0.21 0.00 0.00 52.86 52.21 2qr2 s ASN 61 Cb 0.16 1.72 1.28 0.00 -0.55 0.00 0.00 41.25 43.86 2qr2 s ASN 61 CO 0.58 -0.17 1.68 -0.81 -2.79 0.00 0.00 177.10 175.59 2qr2 n PRO 62 N 4.23 0.65 0.06 0.43 -0.04 -1.25 -3.05 135.00 136.02 2qr2 n PRO 62 Ca 0.12 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2qr2 n PRO 62 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 2qr2 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qr2 h GLU 63 N 0.00 0.35 -3.79 0.54 4.39 -1.95 -3.44 114.58 110.69 2qr2 h GLU 63 Ca 0.00 -0.60 -0.51 0.00 0.34 0.00 0.00 59.36 58.58 2qr2 h GLU 63 Cb 0.02 0.22 -0.39 0.00 -0.10 0.00 0.00 28.75 28.50 2qr2 h GLU 63 CO 0.00 1.29 -0.77 0.08 -1.16 0.00 0.00 179.01 178.44 2qr2 s VAL 64 N -2.52 0.71 -0.34 3.13 1.01 -1.17 -5.11 120.40 116.10 2qr2 s VAL 64 Ca -0.16 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2qr2 s VAL 64 Cb 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.40 2qr2 s VAL 64 CO 0.84 -0.01 0.91 0.12 0.00 0.00 0.00 175.10 176.96 2qr2 s PHE 65 N 1.80 3.12 -0.32 5.22 5.36 -1.26 -4.73 117.98 127.18 2qr2 s PHE 65 Ca 0.01 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 2qr2 s PHE 65 Cb -0.16 -3.54 0.07 0.00 -0.34 0.00 0.00 43.02 39.05 2qr2 s PHE 65 CO -0.07 -0.75 0.02 1.21 -1.46 0.00 0.00 175.22 174.17 2qr2 s ASN 66 N 1.77 4.87 0.08 6.13 3.84 -1.26 -5.03 114.94 125.33 2qr2 s ASN 66 Ca 0.38 -1.52 -0.26 0.00 0.21 0.00 0.00 52.86 51.67 2qr2 s ASN 66 Cb -0.13 -1.70 -0.11 0.00 -0.55 0.00 0.00 41.25 38.77 2qr2 s ASN 66 CO 0.16 -0.31 1.41 0.22 -2.79 0.00 0.00 177.10 175.80 2qr2 h TYR 67 N 7.93 -1.15 -1.00 0.43 3.20 -1.96 0.61 116.97 125.04 2qr2 h TYR 67 Ca -0.18 0.03 0.22 0.00 3.14 0.00 0.00 58.73 61.95 2qr2 h TYR 67 Cb 1.05 0.49 -0.10 0.00 1.54 0.00 0.00 36.73 39.71 2qr2 h TYR 67 CO 0.59 -0.44 0.62 0.78 -1.64 0.00 0.00 178.16 178.07 2qr2 h GLY 68 N -0.56 1.55 0.54 1.82 0.00 -1.99 0.13 103.07 104.56 2qr2 h GLY 68 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2qr2 h GLY 68 CO -0.22 -0.11 -0.22 -2.08 0.00 0.00 0.00 176.54 173.91 2qr2 h VAL 69 N 0.59 1.48 -0.48 4.60 2.07 -1.91 -2.32 116.25 120.28 2qr2 h VAL 69 Ca 0.58 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 66.38 2qr2 h VAL 69 Cb 1.15 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 2qr2 h VAL 69 CO -0.35 0.48 0.30 -0.33 0.02 0.00 0.00 177.57 177.69 2qr2 h GLU 70 N -0.37 0.59 -0.02 1.57 4.39 0.02 -1.06 114.58 119.70 2qr2 h GLU 70 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2qr2 h GLU 70 Cb 0.90 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2qr2 h GLU 70 CO 0.05 0.39 -0.00 1.79 -1.16 0.00 0.00 179.01 180.07 2qr2 h THR 71 N 0.60 1.28 -0.72 1.13 1.35 -0.88 0.14 112.91 115.81 2qr2 h THR 71 Ca 0.19 -0.86 0.12 0.00 -0.55 0.00 0.00 66.41 65.31 2qr2 h THR 71 Cb -0.02 1.82 -0.08 0.00 -1.73 0.00 0.00 68.15 68.13 2qr2 h THR 71 CO -0.07 0.23 0.32 -0.74 -0.25 0.00 0.00 175.52 175.01 2qr2 h HIS 72 N -0.30 0.55 -0.43 4.73 -0.00 -1.29 0.52 115.15 118.93 2qr2 h HIS 72 Ca 0.01 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 2qr2 h HIS 72 Cb 0.37 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 2qr2 h HIS 72 CO 0.05 0.13 0.06 0.93 -0.00 0.00 0.00 177.93 179.11 2qr2 h GLU 73 N 0.50 0.72 -0.09 5.26 4.39 -1.06 -2.71 114.58 121.59 2qr2 h GLU 73 Ca 0.38 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 2qr2 h GLU 73 Cb 0.50 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2qr2 h GLU 73 CO -0.34 0.76 -0.19 0.00 -1.16 0.00 0.00 179.01 178.08 2qr2 h ALA 74 N 0.94 1.53 0.52 3.43 0.00 0.13 0.14 119.26 125.95 2qr2 h ALA 74 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2qr2 h ALA 74 Cb 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qr2 h ALA 74 CO 0.01 0.34 -0.25 -0.92 0.00 0.00 0.00 179.25 178.43 2qr2 h TYR 75 N 0.13 -0.64 -0.03 0.00 3.20 0.16 0.65 116.97 120.44 2qr2 h TYR 75 Ca 0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2qr2 h TYR 75 Cb 0.41 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 2qr2 h TYR 75 CO 0.00 -0.32 0.02 0.87 -1.64 0.00 0.00 178.16 177.10 2qr2 h LYS 76 N -1.00 0.03 -0.00 1.82 1.57 -1.32 -0.38 116.57 117.29 2qr2 h LYS 76 Ca -0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qr2 h LYS 76 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2qr2 h LYS 76 CO 0.12 0.02 -0.18 1.04 -0.57 0.00 0.00 179.45 179.87 2qr2 n GLN 77 N -4.53 0.52 -2.79 3.15 1.13 0.49 -4.92 117.38 110.42 2qr2 n GLN 77 Ca -0.03 -0.21 -0.22 0.00 -1.94 0.00 0.00 57.00 54.61 2qr2 n GLN 77 Cb 0.09 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.97 2qr2 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qr2 n ARG 78 N -1.06 -3.72 -0.92 -1.09 5.12 0.43 -4.89 116.66 110.53 2qr2 n ARG 78 Ca 0.12 0.95 -0.07 0.00 -1.93 0.00 0.00 57.85 56.92 2qr2 n ARG 78 Cb 0.31 -5.73 0.18 0.00 -1.16 0.00 0.00 32.46 26.06 2qr2 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2qr2 n SER 79 N -2.31 2.77 -4.91 0.55 7.64 0.20 -5.02 113.62 112.54 2qr2 n SER 79 Ca -0.16 -3.80 -0.28 0.00 1.01 0.00 0.00 58.87 55.63 2qr2 n SER 79 Cb 0.65 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 2qr2 n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qr2 s LEU 80 N -3.30 4.12 0.38 -3.43 1.43 -1.21 0.05 118.68 116.71 2qr2 s LEU 80 Ca 0.46 0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 53.88 2qr2 s LEU 80 Cb 0.41 -3.40 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 2qr2 s LEU 80 CO -0.00 -0.14 1.45 0.00 0.23 0.00 0.00 176.35 177.88 2qr2 n ALA 81 N -0.84 2.15 -0.25 4.21 0.00 0.08 -4.72 120.51 121.15 2qr2 n ALA 81 Ca -0.03 0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.78 2qr2 n ALA 81 Cb 0.54 -2.39 0.16 0.00 0.00 0.00 0.00 19.45 17.76 2qr2 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qr2 h SER 82 N 2.80 0.35 -0.43 0.00 4.64 -1.95 -0.55 113.55 118.40 2qr2 h SER 82 Ca -0.50 0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2qr2 h SER 82 Cb 1.25 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2qr2 h SER 82 CO 0.63 0.17 0.30 -2.24 -0.87 0.00 0.00 176.83 174.83 2qr2 h ASP 83 N 0.50 0.10 0.01 4.97 2.03 -2.00 0.14 116.42 122.17 2qr2 h ASP 83 Ca 0.38 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.68 2qr2 h ASP 83 Cb 0.51 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2qr2 h ASP 83 CO -0.34 0.06 -0.00 0.40 -1.03 0.00 0.00 179.24 178.33 2qr2 h ILE 84 N 0.12 1.58 -0.87 4.15 2.04 -1.48 -3.22 117.51 119.82 2qr2 h ILE 84 Ca 0.20 -2.00 0.03 0.00 1.00 0.00 0.00 64.86 64.09 2qr2 h ILE 84 Cb 0.66 2.90 -0.05 0.00 -0.74 0.00 0.00 36.82 39.59 2qr2 h ILE 84 CO -0.02 0.50 0.57 0.71 0.00 0.00 0.00 178.15 179.91 2qr2 h THR 85 N -0.90 1.17 -0.23 -0.27 1.35 -0.77 -1.52 112.91 111.74 2qr2 h THR 85 Ca -0.00 -0.38 0.05 0.00 -0.55 0.00 0.00 66.41 65.52 2qr2 h THR 85 Cb 0.83 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.16 2qr2 h THR 85 CO 0.00 0.20 -0.08 0.44 -0.25 0.00 0.00 175.52 175.84 2qr2 h ASP 86 N 1.12 -0.27 -0.09 5.36 5.19 -0.86 0.19 116.42 127.07 2qr2 h ASP 86 Ca 0.34 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.79 2qr2 h ASP 86 Cb -0.02 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2qr2 h ASP 86 CO -0.09 -0.10 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.56 2qr2 h GLU 87 N -0.03 0.31 -0.16 3.56 4.39 -1.41 -1.88 114.58 119.36 2qr2 h GLU 87 Ca 0.11 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 2qr2 h GLU 87 Cb 0.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2qr2 h GLU 87 CO -0.25 0.37 -0.45 1.96 -1.16 0.00 0.00 179.01 179.47 2qr2 h GLN 88 N 0.30 0.40 -0.32 2.33 4.20 -0.07 -1.19 115.11 120.76 2qr2 h GLN 88 Ca 0.07 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 2qr2 h GLN 88 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2qr2 h GLN 88 CO 0.01 0.78 0.01 -0.22 -0.67 0.00 0.00 178.83 178.75 2qr2 h LYS 89 N 0.33 0.56 -0.14 1.46 3.64 0.08 -0.08 116.57 122.42 2qr2 h LYS 89 Ca 0.02 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2qr2 h LYS 89 Cb 0.93 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2qr2 h LYS 89 CO 0.08 0.68 0.08 0.87 -2.27 0.00 0.00 179.45 178.89 2qr2 h LYS 90 N 0.36 0.19 -0.34 1.90 1.57 -1.23 -1.64 116.57 117.39 2qr2 h LYS 90 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2qr2 h LYS 90 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2qr2 h LYS 90 CO 0.01 0.18 0.18 0.28 -0.57 0.00 0.00 179.45 179.53 2qr2 h VAL 91 N 0.15 1.14 -0.65 0.50 2.07 -1.11 -0.05 116.25 118.29 2qr2 h VAL 91 Ca 0.05 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2qr2 h VAL 91 Cb 0.04 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2qr2 h VAL 91 CO -0.01 0.14 0.43 -0.09 0.02 0.00 0.00 177.57 178.07 2qr2 h ARG 92 N 0.42 0.78 0.00 1.57 2.43 -0.84 -2.41 114.38 116.32 2qr2 h ARG 92 Ca 0.12 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 2qr2 h ARG 92 Cb 0.07 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2qr2 h ARG 92 CO -0.02 0.51 -0.91 0.93 -1.51 0.00 0.00 179.97 178.97 2qr2 h GLU 93 N 0.80 0.00 -7.28 0.20 5.08 -0.92 -3.47 114.58 109.00 2qr2 h GLU 93 Ca 0.26 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.10 2qr2 h GLU 93 Cb 0.04 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.43 2qr2 h GLU 93 CO -0.07 0.54 0.31 0.00 -1.00 0.00 0.00 179.01 178.79 2qr2 s ALA 94 N -2.88 2.10 -0.02 3.43 0.00 -0.07 -4.72 121.76 119.60 2qr2 s ALA 94 Ca 0.01 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2qr2 s ALA 94 Cb 0.08 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2qr2 s ALA 94 CO 0.78 -1.94 0.04 -0.25 0.00 0.00 0.00 175.76 174.40 2qr2 n ASP 95 N -3.46 4.30 -3.81 0.00 8.00 0.14 -4.94 116.55 116.79 2qr2 n ASP 95 Ca 0.10 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.44 2qr2 n ASP 95 Cb 0.52 0.86 -0.16 0.00 -0.02 0.00 0.00 41.12 42.32 2qr2 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qr2 s LEU 96 N -3.71 1.13 -0.22 0.64 2.96 -0.88 -1.11 118.68 117.48 2qr2 s LEU 96 Ca -0.01 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2qr2 s LEU 96 Cb 0.01 -0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.55 2qr2 s LEU 96 CO 0.12 -0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 2qr2 s VAL 97 N 1.05 2.29 -0.14 1.68 1.01 -0.95 -0.81 120.40 124.53 2qr2 s VAL 97 Ca -0.09 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 2qr2 s VAL 97 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2qr2 s VAL 97 CO -0.02 0.26 0.03 -0.63 0.00 0.00 0.00 175.10 174.74 2qr2 s ILE 98 N 1.23 4.49 -0.25 2.22 1.01 0.24 -1.51 121.20 128.64 2qr2 s ILE 98 Ca -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2qr2 s ILE 98 Cb -0.16 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.36 2qr2 s ILE 98 CO -0.08 0.54 -0.02 -0.36 0.00 0.00 0.00 174.94 175.02 2qr2 s PHE 99 N -0.22 3.05 -0.32 3.97 0.40 -0.37 -0.22 117.98 124.25 2qr2 s PHE 99 Ca 0.06 -1.16 -0.08 0.00 -0.60 0.00 0.00 56.93 55.15 2qr2 s PHE 99 Cb -0.12 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.30 2qr2 s PHE 99 CO 0.02 -0.62 0.12 -1.14 0.70 0.00 0.00 175.22 174.30 2qr2 s GLN 100 N 1.43 2.96 -0.02 0.44 2.00 -0.69 0.33 119.66 126.11 2qr2 s GLN 100 Ca 0.03 -0.96 -0.27 0.00 -2.00 0.00 0.00 55.36 52.16 2qr2 s GLN 100 Cb -0.16 -3.49 0.06 0.00 0.80 0.00 0.00 33.01 30.22 2qr2 s GLN 100 CO -0.02 -0.55 0.59 -0.59 -0.50 0.00 0.00 175.29 174.22 2qr2 s PHE 101 N 1.50 -0.54 0.48 1.67 -0.12 -0.57 -0.94 117.98 119.45 2qr2 s PHE 101 Ca 0.02 0.86 -0.12 0.00 -0.05 0.00 0.00 56.93 57.63 2qr2 s PHE 101 Cb -0.18 0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 42.50 2qr2 s PHE 101 CO 0.04 -0.59 0.87 -1.25 -0.05 0.00 0.00 175.22 174.25 2qr2 s PRO 102 N -1.50 3.79 -0.15 1.99 0.04 -1.26 -2.11 135.00 135.80 2qr2 s PRO 102 Ca -0.10 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 2qr2 s PRO 102 Cb -0.01 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 2qr2 s PRO 102 CO 0.06 -0.20 1.14 -1.17 0.04 0.00 0.00 177.00 176.88 2qr2 s LEU 103 N -4.18 4.19 -0.30 -3.56 2.96 0.97 -4.41 118.68 114.35 2qr2 s LEU 103 Ca 0.54 1.60 0.02 0.00 -0.22 0.00 0.00 54.13 56.07 2qr2 s LEU 103 Cb -0.10 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.11 2qr2 s LEU 103 CO 0.36 -0.64 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.40 2qr2 s TYR 104 N 2.85 3.43 -1.23 5.38 1.51 0.34 -4.80 117.35 124.83 2qr2 s TYR 104 Ca 0.51 -2.47 -0.06 0.00 -1.01 0.00 0.00 57.07 54.03 2qr2 s TYR 104 Cb -0.20 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2qr2 s TYR 104 CO 0.14 -0.90 0.73 0.91 -1.11 0.00 0.00 175.55 175.33 2qr2 n TRP 105 N 4.41 -1.97 -1.56 2.71 5.03 -1.26 -1.45 117.44 123.36 2qr2 n TRP 105 Ca -0.08 0.73 -0.19 0.00 3.03 0.00 0.00 57.50 60.99 2qr2 n TRP 105 Cb 0.42 -4.07 -0.08 0.00 -1.03 0.00 0.00 31.31 26.55 2qr2 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 2qr2 n PHE 106 N -4.12 -0.06 -3.03 -5.99 3.01 -1.26 -4.88 117.46 101.13 2qr2 n PHE 106 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2qr2 n PHE 106 Cb 0.65 -3.31 0.00 0.00 -0.01 0.00 0.00 39.48 36.80 2qr2 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qr2 n SER 107 N -1.23 0.00 -4.88 4.37 2.88 -0.53 -4.79 113.62 109.44 2qr2 n SER 107 Ca -0.19 -0.60 -0.32 0.00 -1.33 0.00 0.00 58.87 56.43 2qr2 n SER 107 Cb 0.64 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 2qr2 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qr2 s VAL 108 N -2.40 4.94 0.56 2.46 -7.23 -1.26 -0.51 120.40 116.96 2qr2 s VAL 108 Ca 0.00 0.44 -0.20 0.00 -1.81 0.00 0.00 61.98 60.41 2qr2 s VAL 108 Cb 0.00 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.25 2qr2 s VAL 108 CO 0.00 -0.10 1.00 -2.65 -0.31 0.00 0.00 175.10 173.04 2qr2 n PRO 109 N -0.21 1.07 -0.34 4.82 -0.02 -1.26 -4.55 135.00 134.50 2qr2 n PRO 109 Ca 0.00 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 62.09 2qr2 n PRO 109 Cb 0.53 -2.17 0.45 0.00 -0.02 0.00 0.00 33.50 32.29 2qr2 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qr2 h ALA 110 N 0.80 2.03 -0.57 3.55 0.00 -1.96 0.14 119.26 123.25 2qr2 h ALA 110 Ca -0.48 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2qr2 h ALA 110 Cb 1.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2qr2 h ALA 110 CO 0.53 -0.48 0.16 0.97 0.00 0.00 0.00 179.25 180.42 2qr2 h ILE 111 N 0.47 1.23 -0.03 0.00 2.10 -1.93 -0.92 117.51 118.42 2qr2 h ILE 111 Ca 0.63 -0.81 -0.26 0.00 1.08 0.00 0.00 64.86 65.50 2qr2 h ILE 111 Cb 1.41 0.62 0.02 0.00 -1.09 0.00 0.00 36.82 37.78 2qr2 h ILE 111 CO -0.39 0.31 -0.99 0.25 -1.08 0.00 0.00 178.15 176.24 2qr2 h LEU 112 N 0.84 0.93 -1.01 2.19 5.85 -1.13 -2.83 115.31 120.15 2qr2 h LEU 112 Ca 0.19 -0.71 0.08 0.00 0.84 0.00 0.00 57.88 58.27 2qr2 h LEU 112 Cb 0.28 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2qr2 h LEU 112 CO -0.00 1.51 0.65 0.50 -0.34 0.00 0.00 178.44 180.76 2qr2 h LYS 113 N 0.43 1.10 -0.52 1.25 1.63 -0.86 -0.10 116.57 119.51 2qr2 h LYS 113 Ca -0.11 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 2qr2 h LYS 113 Cb 1.64 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 33.00 2qr2 h LYS 113 CO 0.20 0.73 0.14 0.78 -3.45 0.00 0.00 179.45 177.85 2qr2 h GLY 114 N 1.14 0.83 0.97 5.01 0.00 -1.06 0.72 103.07 110.67 2qr2 h GLY 114 Ca 0.45 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qr2 h GLY 114 CO -0.20 0.43 0.22 -0.25 0.00 0.00 0.00 176.54 176.74 2qr2 h TRP 115 N 0.75 0.58 -0.26 5.60 7.01 -0.79 0.84 115.95 129.68 2qr2 h TRP 115 Ca 0.17 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.05 2qr2 h TRP 115 Cb 0.25 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2qr2 h TRP 115 CO 0.01 0.46 -0.28 0.52 -2.79 0.00 0.00 178.44 176.36 2qr2 h MET 116 N 0.54 0.53 -0.21 2.65 2.86 -0.79 -0.35 114.93 120.15 2qr2 h MET 116 Ca 0.15 -0.22 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 2qr2 h MET 116 Cb 0.08 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2qr2 h MET 116 CO -0.02 0.76 -0.68 -0.44 1.06 0.00 0.00 176.91 177.60 2qr2 h ASP 117 N 0.46 0.96 0.17 1.22 5.19 -0.43 -3.17 116.42 120.83 2qr2 h ASP 117 Ca 0.06 -0.59 -0.36 0.00 -0.62 0.00 0.00 57.03 55.53 2qr2 h ASP 117 Cb 0.73 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.93 2qr2 h ASP 117 CO 0.06 1.38 -2.04 0.54 -3.12 0.00 0.00 179.24 176.06 2qr2 n ARG 118 N -3.97 0.72 -0.02 3.56 1.74 0.25 -4.60 116.66 114.33 2qr2 n ARG 118 Ca -0.06 0.24 -0.16 0.00 -0.77 0.00 0.00 57.85 57.09 2qr2 n ARG 118 Cb 0.69 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2qr2 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qr2 h VAL 119 N 0.04 1.58 -0.05 1.55 2.07 -1.23 -3.36 116.25 116.86 2qr2 h VAL 119 Ca -0.43 -2.18 -0.68 0.00 0.82 0.00 0.00 66.70 64.23 2qr2 h VAL 119 Cb 2.02 2.99 0.01 0.00 -1.52 0.00 0.00 31.29 34.79 2qr2 h VAL 119 CO 0.06 0.60 3.67 0.18 0.02 0.00 0.00 177.57 182.10 2qr2 n LEU 120 N -4.42 8.41 -4.90 2.57 4.77 -1.20 -4.77 117.00 117.47 2qr2 n LEU 120 Ca -0.11 -4.35 -0.28 0.00 -0.03 0.00 0.00 56.01 51.24 2qr2 n LEU 120 Cb 0.59 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 2qr2 n LEU 120 CO 0.41 1.91 0.58 0.00 -1.33 0.00 0.00 177.39 178.95 2qr2 s GLN 122 N -5.01 4.31 0.00 0.00 0.74 -1.26 -1.03 119.66 117.40 2qr2 s GLN 122 Ca 0.53 2.23 0.00 0.00 0.05 0.00 0.00 55.36 58.17 2qr2 s GLN 122 Cb -0.11 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.88 2qr2 s GLN 122 CO 0.48 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 2qr2 n GLY 123 N 2.05 2.35 0.19 2.59 0.00 0.13 -4.13 105.19 108.37 2qr2 n GLY 123 Ca 0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2qr2 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qr2 n PHE 124 N 0.00 0.00 0.03 1.61 7.35 -0.87 -4.78 117.46 120.80 2qr2 n PHE 124 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 2qr2 n PHE 124 Cb 0.00 -0.38 -0.13 0.00 0.35 0.00 0.00 39.48 39.32 2qr2 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qr2 h ALA 125 N -1.01 0.50 -2.96 3.13 0.00 -1.35 -3.40 119.26 114.17 2qr2 h ALA 125 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 54.91 53.73 2qr2 h ALA 125 Cb 0.76 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2qr2 h ALA 125 CO 0.00 1.36 0.14 -0.59 0.00 0.00 0.00 179.25 180.16 2qr2 s PHE 126 N -2.65 0.10 -0.05 0.00 -0.71 -1.25 -2.56 117.98 110.86 2qr2 s PHE 126 Ca -0.04 -0.59 -0.29 0.00 -1.04 0.00 0.00 56.93 54.98 2qr2 s PHE 126 Cb 0.09 0.58 0.11 0.00 -1.21 0.00 0.00 43.02 42.59 2qr2 s PHE 126 CO 0.83 -1.28 0.89 0.34 -1.34 0.00 0.00 175.22 174.66 2qr2 s ASP 127 N -3.01 -0.40 0.34 1.98 -1.08 -0.57 0.23 116.67 114.16 2qr2 s ASP 127 Ca 0.16 0.20 0.10 0.00 -0.52 0.00 0.00 52.55 52.49 2qr2 s ASP 127 Cb -0.04 0.38 1.02 0.00 -1.46 0.00 0.00 42.92 42.82 2qr2 s ASP 127 CO 0.10 -0.54 1.58 -0.29 0.52 0.00 0.00 175.17 176.53 2qr2 h ILE 128 N 2.27 0.02 -0.17 4.11 6.09 -2.01 0.23 117.51 128.04 2qr2 h ILE 128 Ca -0.22 -0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 63.05 2qr2 h ILE 128 Cb 1.21 0.00 0.01 0.00 0.47 0.00 0.00 36.82 38.51 2qr2 h ILE 128 CO 0.32 0.00 -0.75 -0.65 -3.07 0.00 0.00 178.15 174.00 2qr2 h PRO 129 N 0.01 0.80 -4.84 2.19 0.11 -1.97 -3.44 132.00 124.86 2qr2 h PRO 129 Ca 0.71 -0.63 -0.62 0.00 0.11 0.00 0.00 66.00 65.57 2qr2 h PRO 129 Cb 1.69 0.12 -0.35 0.00 0.11 0.00 0.00 31.00 32.57 2qr2 h PRO 129 CO -0.85 1.24 -0.84 0.20 -0.21 0.00 0.00 178.00 177.54 2qr2 s GLY 130 N -4.10 1.17 0.21 -0.55 0.00 0.81 -4.99 107.32 99.87 2qr2 s GLY 130 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 2qr2 s GLY 130 CO 0.90 0.29 0.52 -0.11 0.00 0.00 0.00 173.10 174.71 2qr2 s PHE 131 N 1.16 -0.03 0.00 1.90 -0.12 -1.17 -1.51 117.98 118.21 2qr2 s PHE 131 Ca -0.01 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 2qr2 s PHE 131 Cb -0.14 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 2qr2 s PHE 131 CO -0.06 -0.95 0.00 0.66 -0.05 0.00 0.00 175.22 174.82 2qr2 n TYR 132 N -0.35 0.00 0.31 3.49 4.01 0.94 -1.00 117.16 124.56 2qr2 n TYR 132 Ca -0.08 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.86 2qr2 n TYR 132 Cb 0.62 0.00 1.00 0.00 -0.31 0.00 0.00 39.34 40.65 2qr2 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qr2 h ASP 133 N 0.00 0.00 -0.26 7.72 3.32 -1.89 -0.76 116.42 124.55 2qr2 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qr2 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qr2 h ASP 133 CO 0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 2qr2 n SER 134 N -2.95 3.64 -4.66 6.45 7.64 -0.17 -4.97 113.62 118.60 2qr2 n SER 134 Ca -0.02 -2.83 -0.37 0.00 1.01 0.00 0.00 58.87 56.66 2qr2 n SER 134 Cb 0.13 -0.48 0.06 0.00 -1.01 0.00 0.00 64.21 62.91 2qr2 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qr2 n GLY 135 N -0.36 0.06 0.34 0.23 0.00 -0.30 -3.04 105.19 102.11 2qr2 n GLY 135 Ca 0.19 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.10 2qr2 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qr2 h LEU 136 N 0.53 0.69 -2.99 0.99 3.38 -1.25 -2.10 115.31 114.56 2qr2 h LEU 136 Ca -0.50 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.22 2qr2 h LEU 136 Cb 1.35 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2qr2 h LEU 136 CO 0.52 0.49 0.31 0.18 0.09 0.00 0.00 178.44 180.03 2qr2 n LEU 137 N -4.45 4.97 -4.77 1.67 4.77 0.87 -4.95 117.00 115.11 2qr2 n LEU 137 Ca 0.07 -2.58 -0.40 0.00 -0.03 0.00 0.00 56.01 53.07 2qr2 n LEU 137 Cb 0.09 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 2qr2 n LEU 137 CO 0.35 0.83 0.92 0.00 -1.33 0.00 0.00 177.39 178.16 2qr2 s GLN 138 N -1.52 4.18 0.00 3.23 -2.07 -0.79 -3.22 119.66 119.47 2qr2 s GLN 138 Ca 0.26 2.07 0.00 0.00 -1.82 0.00 0.00 55.36 55.88 2qr2 s GLN 138 Cb 0.22 -2.88 0.00 0.00 -1.09 0.00 0.00 33.01 29.25 2qr2 s GLN 138 CO 0.04 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 2qr2 n GLY 139 N 0.75 2.65 3.79 2.60 0.00 -1.22 -4.98 105.19 108.78 2qr2 n GLY 139 Ca 0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2qr2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr2 s LYS 140 N 0.00 3.18 0.24 1.61 1.02 -1.20 -4.81 119.74 119.78 2qr2 s LYS 140 Ca 0.00 1.34 0.03 0.00 0.02 0.00 0.00 55.97 57.36 2qr2 s LYS 140 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2qr2 s LYS 140 CO 0.00 -0.94 0.39 -0.51 -0.92 0.00 0.00 175.35 173.36 2qr2 s LEU 141 N -4.46 4.26 -0.08 3.17 1.43 -0.27 0.00 118.68 122.74 2qr2 s LEU 141 Ca 0.66 0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.85 2qr2 s LEU 141 Cb -0.19 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2qr2 s LEU 141 CO 0.36 -0.09 0.25 0.00 0.23 0.00 0.00 176.35 177.10 2qr2 s ALA 142 N -2.00 -0.62 -0.08 4.21 0.00 0.28 -2.24 121.76 121.31 2qr2 s ALA 142 Ca 0.35 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 2qr2 s ALA 142 Cb -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2qr2 s ALA 142 CO 0.30 -0.14 0.21 -1.17 0.00 0.00 0.00 175.76 174.96 2qr2 s LEU 143 N -0.13 1.09 -0.29 0.00 0.20 -0.57 -0.81 118.68 118.17 2qr2 s LEU 143 Ca -0.03 0.43 -0.07 0.00 0.69 0.00 0.00 54.13 55.16 2qr2 s LEU 143 Cb -0.03 0.72 0.00 0.00 -0.43 0.00 0.00 46.19 46.45 2qr2 s LEU 143 CO 0.01 -0.09 0.09 -0.76 -0.29 0.00 0.00 176.35 175.32 2qr2 s LEU 144 N 0.27 3.85 -0.46 -0.68 1.43 -1.26 -1.24 118.68 120.58 2qr2 s LEU 144 Ca -0.01 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2qr2 s LEU 144 Cb -0.03 -1.91 0.11 0.00 0.03 0.00 0.00 46.19 44.39 2qr2 s LEU 144 CO -0.01 -0.17 0.34 -0.55 0.23 0.00 0.00 176.35 176.19 2qr2 s SER 145 N 1.54 5.72 -0.01 2.29 0.15 0.15 -0.92 113.70 122.63 2qr2 s SER 145 Ca 0.04 -1.83 0.08 0.00 0.70 0.00 0.00 55.95 54.94 2qr2 s SER 145 Cb -0.17 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2qr2 s SER 145 CO 0.03 -0.67 -0.25 0.54 1.20 0.00 0.00 173.24 174.09 2qr2 s VAL 146 N 1.38 2.13 -0.00 4.45 0.11 -0.25 -1.51 120.40 126.70 2qr2 s VAL 146 Ca 0.05 -1.16 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 2qr2 s VAL 146 Cb -0.26 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 2qr2 s VAL 146 CO -0.00 0.53 0.02 0.42 -3.33 0.00 0.00 175.10 172.74 2qr2 s THR 147 N -0.66 4.31 0.30 5.04 -4.23 -0.90 -1.38 115.64 118.11 2qr2 s THR 147 Ca 0.11 -0.54 0.10 0.00 -1.18 0.00 0.00 61.69 60.18 2qr2 s THR 147 Cb -0.10 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 2qr2 s THR 147 CO -0.00 0.37 -0.15 0.42 -0.54 0.00 0.00 174.62 174.72 2qr2 s THR 148 N -1.11 2.28 -0.10 3.99 -4.23 -1.10 -0.02 115.64 115.35 2qr2 s THR 148 Ca 0.20 -2.30 0.02 0.00 -1.18 0.00 0.00 61.69 58.42 2qr2 s THR 148 Cb -0.12 -2.42 -0.25 0.00 1.34 0.00 0.00 72.50 71.06 2qr2 s THR 148 CO 0.11 -0.34 0.43 0.61 -0.54 0.00 0.00 174.62 174.89 2qr2 n GLY 149 N -0.66 -0.72 3.84 3.99 0.00 -1.26 -1.52 105.19 108.86 2qr2 n GLY 149 Ca -0.05 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2qr2 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qr2 s GLY 150 N -5.46 2.27 0.86 -0.02 0.00 -1.26 -4.36 107.32 99.35 2qr2 s GLY 150 Ca -0.16 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 2qr2 s GLY 150 CO 0.78 0.49 1.12 -0.51 0.00 0.00 0.00 173.10 174.98 2qr2 s THR 151 N -2.25 2.48 0.22 0.90 -4.23 -1.26 -2.90 115.64 108.60 2qr2 s THR 151 Ca 0.59 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 2qr2 s THR 151 Cb -0.10 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 71.00 2qr2 s THR 151 CO 0.19 -0.20 1.83 0.00 -0.54 0.00 0.00 174.62 175.89 2qr2 h ALA 152 N -1.29 1.01 -0.38 3.99 0.00 -1.96 -1.66 119.26 118.96 2qr2 h ALA 152 Ca -0.49 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2qr2 h ALA 152 Cb 1.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2qr2 h ALA 152 CO 0.61 0.14 0.18 1.49 0.00 0.00 0.00 179.25 181.67 2qr2 h GLU 153 N 0.80 0.53 0.00 0.00 4.57 -1.99 0.02 114.58 118.50 2qr2 h GLU 153 Ca 0.33 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 2qr2 h GLU 153 Cb 0.18 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2qr2 h GLU 153 CO -0.18 0.41 -0.15 0.52 -1.18 0.00 0.00 179.01 178.44 2qr2 h MET 154 N 0.53 0.00 -1.00 1.92 2.86 -1.67 -2.91 114.93 114.66 2qr2 h MET 154 Ca 0.14 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.16 2qr2 h MET 154 Cb 0.06 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.43 2qr2 h MET 154 CO -0.02 0.15 0.79 0.66 1.06 0.00 0.00 176.91 179.55 2qr2 n TYR 155 N -3.74 3.16 -3.85 -0.22 4.01 -0.01 -1.73 117.16 114.79 2qr2 n TYR 155 Ca -0.02 -2.55 -0.21 0.00 -0.16 0.00 0.00 57.90 54.96 2qr2 n TYR 155 Cb 0.26 -1.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.02 2qr2 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qr2 s THR 156 N -4.19 4.31 0.56 -0.72 -4.23 -1.10 -2.16 115.64 108.11 2qr2 s THR 156 Ca 0.61 -1.20 0.28 0.00 -1.18 0.00 0.00 61.69 60.20 2qr2 s THR 156 Cb 0.50 -3.45 0.39 0.00 1.34 0.00 0.00 72.50 71.27 2qr2 s THR 156 CO 0.04 -0.25 1.98 0.11 -0.54 0.00 0.00 174.62 175.95 2qr2 h LYS 157 N 1.21 0.00 -0.39 3.99 1.57 -1.91 0.15 116.57 121.19 2qr2 h LYS 157 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2qr2 h LYS 157 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2qr2 h LYS 157 CO 0.58 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.71 2qr2 n THR 158 N -4.03 1.79 -2.74 -0.16 -2.24 -1.26 -4.56 114.28 101.09 2qr2 n THR 158 Ca 0.08 -1.42 -0.22 0.00 -2.27 0.00 0.00 64.05 60.22 2qr2 n THR 158 Cb 0.59 0.08 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2qr2 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qr2 s GLY 159 N -1.35 1.75 0.21 3.38 0.00 0.49 -4.98 107.32 106.81 2qr2 s GLY 159 Ca 0.39 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 2qr2 s GLY 159 CO 0.15 -0.98 1.79 -0.39 0.00 0.00 0.00 173.10 173.67 2qr2 h VAL 160 N 0.16 0.93 -0.00 1.40 -1.51 -1.84 -1.94 116.25 113.44 2qr2 h VAL 160 Ca -0.43 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2qr2 h VAL 160 Cb 1.28 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2qr2 h VAL 160 CO 0.54 0.11 -0.31 0.59 -1.23 0.00 0.00 177.57 177.27 2qr2 n ASN 161 N -4.84 0.44 -0.24 4.19 3.02 -0.70 -5.05 115.26 112.07 2qr2 n ASN 161 Ca 0.08 -0.19 0.03 0.00 -0.03 0.00 0.00 54.58 54.47 2qr2 n ASN 161 Cb 0.19 0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2qr2 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qr2 n GLY 162 N 1.46 -1.72 3.74 7.41 0.00 -0.73 -4.86 105.19 110.48 2qr2 n GLY 162 Ca 0.08 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2qr2 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qr2 n ASP 163 N -2.17 3.84 0.01 1.61 2.03 -0.93 -3.18 116.55 117.75 2qr2 n ASP 163 Ca -0.00 1.14 0.15 0.00 0.52 0.00 0.00 54.79 56.60 2qr2 n ASP 163 Cb 0.11 -1.59 0.60 0.00 -0.72 0.00 0.00 41.12 39.53 2qr2 n ASP 163 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2qr2 h SER 164 N 4.91 0.15 0.29 1.67 4.64 -1.76 -0.56 113.55 122.88 2qr2 h SER 164 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2qr2 h SER 164 Cb 1.22 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qr2 h SER 164 CO 0.80 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 177.39 2qr2 n ARG 165 N -4.44 0.12 -0.00 4.77 1.74 -1.26 -2.68 116.66 114.90 2qr2 n ARG 165 Ca 0.08 0.50 -0.13 0.00 -0.77 0.00 0.00 57.85 57.53 2qr2 n ARG 165 Cb 0.43 -1.80 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 2qr2 n ARG 165 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2qr2 h TYR 166 N 0.00 -0.05 0.00 -1.55 0.05 -1.26 -3.19 116.97 110.97 2qr2 h TYR 166 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qr2 h TYR 166 Cb 0.14 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2qr2 h TYR 166 CO 0.00 0.50 0.00 0.27 -1.05 0.00 0.00 178.16 177.88 2qr2 h PHE 167 N -0.65 0.00 0.00 4.88 -5.15 -1.67 -3.01 116.94 111.35 2qr2 h PHE 167 Ca -0.01 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.73 2qr2 h PHE 167 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.74 2qr2 h PHE 167 CO 0.12 0.00 -0.16 -0.07 -2.00 0.00 0.00 178.31 176.20 2qr2 h LEU 168 N 0.00 0.00 -0.09 2.10 3.38 -1.56 -3.35 115.31 115.79 2qr2 h LEU 168 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2qr2 h LEU 168 Cb 0.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2qr2 h LEU 168 CO 0.00 0.16 -0.47 -0.25 0.09 0.00 0.00 178.44 177.97 2qr2 h TRP 169 N 0.00 -1.35 -0.62 1.13 2.91 -1.51 0.32 115.95 116.83 2qr2 h TRP 169 Ca -0.00 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.14 2qr2 h TRP 169 Cb 0.83 0.60 -0.04 0.00 -0.51 0.00 0.00 29.16 30.05 2qr2 h TRP 169 CO 0.00 -0.51 0.41 -1.35 -1.03 0.00 0.00 178.44 175.96 2qr2 h PRO 170 N -0.56 0.56 0.12 2.65 0.11 -1.81 0.12 132.00 133.18 2qr2 h PRO 170 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2qr2 h PRO 170 Cb 0.66 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2qr2 h PRO 170 CO -0.39 0.37 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.64 2qr2 h LEU 171 N 0.57 -0.14 0.05 2.35 3.38 -1.61 -1.25 115.31 118.67 2qr2 h LEU 171 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2qr2 h LEU 171 Cb 0.33 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qr2 h LEU 171 CO -0.08 0.30 -0.02 1.56 0.09 0.00 0.00 178.44 180.28 2qr2 h GLN 172 N -0.95 -0.06 0.00 1.13 4.20 -0.38 -0.88 115.11 118.17 2qr2 h GLN 172 Ca -0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 2qr2 h GLN 172 Cb 0.12 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2qr2 h GLN 172 CO 0.03 0.17 -0.83 1.25 -0.67 0.00 0.00 178.83 178.77 2qr2 h HIS 173 N -0.29 0.00 -0.55 2.96 2.76 -0.95 0.38 115.15 119.46 2qr2 h HIS 173 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2qr2 h HIS 173 Cb 0.26 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2qr2 h HIS 173 CO 0.00 0.96 0.29 0.78 -1.30 0.00 0.00 177.93 178.66 2qr2 h GLY 174 N -1.00 0.81 0.00 5.26 0.00 -1.07 -2.62 103.07 104.45 2qr2 h GLY 174 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2qr2 h GLY 174 CO -0.12 0.34 -0.13 2.41 0.00 0.00 0.00 176.54 179.05 2qr2 n THR 175 N -4.39 0.24 0.35 4.70 -1.04 -0.49 -4.40 114.28 109.24 2qr2 n THR 175 Ca 0.05 0.35 -0.17 0.00 -2.04 0.00 0.00 64.05 62.24 2qr2 n THR 175 Cb 0.11 -1.51 -0.09 0.00 -1.82 0.00 0.00 70.33 67.01 2qr2 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qr2 h LEU 176 N -0.13 -1.14 -1.51 -4.42 3.38 -1.23 -2.04 115.31 108.23 2qr2 h LEU 176 Ca 0.00 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2qr2 h LEU 176 Cb 0.13 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2qr2 h LEU 176 CO 0.00 -0.65 0.41 -0.74 0.09 0.00 0.00 178.44 177.55 2qr2 h HIS 177 N -1.02 0.60 -0.47 1.13 2.76 -0.99 -0.46 115.15 116.71 2qr2 h HIS 177 Ca -0.08 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2qr2 h HIS 177 Cb 0.83 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2qr2 h HIS 177 CO -0.12 0.32 0.24 0.35 -1.30 0.00 0.00 177.93 177.41 2qr2 h PHE 178 N 0.59 0.63 -0.00 5.26 3.57 -1.12 -1.22 116.94 124.65 2qr2 h PHE 178 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2qr2 h PHE 178 Cb 0.30 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2qr2 h PHE 178 CO -0.00 0.46 -0.14 0.00 -2.23 0.00 0.00 178.31 176.40 2qr2 n GLY 180 N 1.38 0.52 3.71 0.00 0.00 -0.47 -0.09 105.19 110.25 2qr2 n GLY 180 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2qr2 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qr2 s PHE 181 N -2.00 1.96 -0.42 1.61 0.08 -0.87 -3.44 117.98 114.90 2qr2 s PHE 181 Ca 0.00 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.50 2qr2 s PHE 181 Cb 0.00 -3.54 0.04 0.00 -0.57 0.00 0.00 43.02 38.95 2qr2 s PHE 181 CO 0.00 -2.80 0.31 0.15 -0.10 0.00 0.00 175.22 172.78 2qr2 s LYS 182 N -3.85 2.93 -0.10 0.44 3.01 0.10 -4.41 119.74 117.86 2qr2 s LYS 182 Ca 0.76 -1.14 -0.28 0.00 -1.01 0.00 0.00 55.97 54.30 2qr2 s LYS 182 Cb -0.31 -3.98 -0.02 0.00 -1.01 0.00 0.00 37.83 32.51 2qr2 s LYS 182 CO 0.46 -0.83 0.91 0.08 0.51 0.00 0.00 175.35 176.48 2qr2 s VAL 183 N 1.64 4.86 0.30 3.17 1.01 -1.26 -0.56 120.40 129.55 2qr2 s VAL 183 Ca 0.04 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 2qr2 s VAL 183 Cb -0.21 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2qr2 s VAL 183 CO 0.08 0.06 0.53 -0.76 0.00 0.00 0.00 175.10 175.02 2qr2 s LEU 184 N 1.77 4.06 0.15 3.92 1.43 0.01 -0.88 118.68 129.13 2qr2 s LEU 184 Ca 0.44 0.58 -0.34 0.00 -1.03 0.00 0.00 54.13 53.78 2qr2 s LEU 184 Cb -0.18 -3.41 -0.16 0.00 0.03 0.00 0.00 46.19 42.48 2qr2 s LEU 184 CO 0.18 -0.21 1.31 0.00 0.23 0.00 0.00 176.35 177.85 2qr2 n ALA 185 N -1.21 -0.36 -0.98 4.21 0.00 -1.26 -4.68 120.51 116.23 2qr2 n ALA 185 Ca -0.03 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 2qr2 n ALA 185 Cb 0.55 -2.11 0.17 0.00 0.00 0.00 0.00 19.45 18.05 2qr2 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qr2 s PRO 186 N 0.10 0.79 -0.24 0.00 0.04 -1.26 -4.77 135.00 129.66 2qr2 s PRO 186 Ca 0.77 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2qr2 s PRO 186 Cb -0.84 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2qr2 s PRO 186 CO 0.48 -2.60 -0.10 -1.14 0.04 0.00 0.00 177.00 173.68 2qr2 s GLN 187 N -4.79 2.63 -0.31 4.56 2.00 -0.09 -4.99 119.66 118.67 2qr2 s GLN 187 Ca 0.65 -1.10 0.03 0.00 -2.00 0.00 0.00 55.36 52.94 2qr2 s GLN 187 Cb -0.20 -2.89 0.08 0.00 0.80 0.00 0.00 33.01 30.80 2qr2 s GLN 187 CO 0.59 -0.44 -0.01 0.42 -0.50 0.00 0.00 175.29 175.35 2qr2 s ILE 188 N 1.24 2.30 -1.09 -2.34 1.01 -1.26 -1.09 121.20 119.97 2qr2 s ILE 188 Ca -0.02 -2.02 -0.19 0.00 0.00 0.00 0.00 60.65 58.42 2qr2 s ILE 188 Cb -0.17 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.85 2qr2 s ILE 188 CO -0.06 -0.36 1.40 -0.44 0.00 0.00 0.00 174.94 175.47 2qr2 s SER 189 N 1.03 6.74 0.42 3.58 0.01 -0.48 -4.98 113.70 120.02 2qr2 s SER 189 Ca 0.02 -2.19 -0.26 0.00 1.31 0.00 0.00 55.95 54.84 2qr2 s SER 189 Cb -0.20 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 2qr2 s SER 189 CO -0.06 -1.12 1.28 0.49 0.41 0.00 0.00 173.24 174.23 2qr2 n PHE 190 N 7.29 2.16 -3.25 2.43 3.72 -1.26 -2.71 117.46 125.83 2qr2 n PHE 190 Ca 0.34 0.50 -0.01 0.00 -0.05 0.00 0.00 57.45 58.24 2qr2 n PHE 190 Cb 0.48 -2.38 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 2qr2 n PHE 190 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qr2 n ALA 191 N -0.17 -1.03 -0.30 4.37 0.00 -0.57 -4.81 120.51 117.99 2qr2 n ALA 191 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 2qr2 n ALA 191 Cb 0.39 -0.03 0.07 0.00 0.00 0.00 0.00 19.45 19.89 2qr2 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qr2 h PRO 192 N 2.23 1.14 -0.56 0.00 0.13 -1.71 -1.77 132.00 131.46 2qr2 h PRO 192 Ca -0.01 -0.13 0.11 0.00 -0.87 0.00 0.00 66.00 65.10 2qr2 h PRO 192 Cb 0.02 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 30.89 2qr2 h PRO 192 CO 0.01 0.83 0.38 0.93 -0.23 0.00 0.00 178.00 179.92 2qr2 h GLU 193 N 1.14 0.28 0.07 0.86 5.08 -1.88 -1.02 114.58 119.11 2qr2 h GLU 193 Ca 0.29 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.35 2qr2 h GLU 193 Cb 0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2qr2 h GLU 193 CO -0.05 0.19 -1.41 0.82 -1.00 0.00 0.00 179.01 177.56 2qr2 h ILE 194 N 0.29 1.26 -4.27 3.13 2.04 -1.78 -3.47 117.51 114.71 2qr2 h ILE 194 Ca 0.26 -2.95 -0.52 0.00 1.00 0.00 0.00 64.86 62.65 2qr2 h ILE 194 Cb 0.65 2.73 0.17 0.00 -0.74 0.00 0.00 36.82 39.63 2qr2 h ILE 194 CO -0.06 0.80 0.28 0.00 0.00 0.00 0.00 178.15 179.17 2qr2 s ALA 195 N -2.64 1.84 0.57 1.87 0.00 -0.39 -5.03 121.76 117.98 2qr2 s ALA 195 Ca -0.05 0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 2qr2 s ALA 195 Cb 0.08 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2qr2 s ALA 195 CO 0.84 -2.28 0.93 -1.54 0.00 0.00 0.00 175.76 173.71 2qr2 s SER 196 N -2.84 6.07 0.39 0.00 1.04 -1.26 -4.82 113.70 112.28 2qr2 s SER 196 Ca 0.66 1.11 0.14 0.00 0.48 0.00 0.00 55.95 58.33 2qr2 s SER 196 Cb -0.21 -2.22 0.96 0.00 0.10 0.00 0.00 66.02 64.65 2qr2 s SER 196 CO 0.55 -0.84 1.85 -0.08 0.98 0.00 0.00 173.24 175.70 2qr2 h GLU 197 N -0.13 0.52 0.43 4.02 4.81 -1.95 0.11 114.58 122.38 2qr2 h GLU 197 Ca -0.45 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2qr2 h GLU 197 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2qr2 h GLU 197 CO 0.62 0.34 -0.21 0.93 -0.73 0.00 0.00 179.01 179.97 2qr2 h GLU 198 N 0.53 -0.56 -0.64 1.92 3.07 -2.00 -1.80 114.58 115.11 2qr2 h GLU 198 Ca 0.48 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.44 2qr2 h GLU 198 Cb 1.00 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.98 2qr2 h GLU 198 CO -0.21 -0.26 0.33 0.93 -1.40 0.00 0.00 179.01 178.39 2qr2 h GLU 199 N -0.81 0.58 -0.19 2.33 5.08 -1.50 -1.60 114.58 118.47 2qr2 h GLU 199 Ca -0.06 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qr2 h GLU 199 Cb 0.55 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qr2 h GLU 199 CO 0.10 0.39 0.09 0.00 -1.00 0.00 0.00 179.01 178.59 2qr2 h ARG 200 N 0.60 0.20 -0.95 2.33 3.08 -0.83 -1.23 114.38 117.58 2qr2 h ARG 200 Ca 0.29 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.42 2qr2 h ARG 200 Cb 0.23 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 2qr2 h ARG 200 CO -0.21 0.13 0.61 0.87 -1.07 0.00 0.00 179.97 180.30 2qr2 h LYS 201 N 0.20 0.99 -0.38 0.04 1.79 -0.82 0.14 116.57 118.54 2qr2 h LYS 201 Ca 0.07 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2qr2 h LYS 201 Cb 0.01 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 2qr2 h LYS 201 CO -0.05 0.66 0.09 0.78 -1.08 0.00 0.00 179.45 179.85 2qr2 h GLY 202 N 1.02 0.60 0.68 3.86 0.00 -0.33 0.24 103.07 109.14 2qr2 h GLY 202 Ca 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2qr2 h GLY 202 CO -0.19 0.29 -0.12 -0.33 0.00 0.00 0.00 176.54 176.20 2qr2 h MET 203 N 0.55 0.27 -0.19 4.80 2.86 0.30 -0.82 114.93 122.69 2qr2 h MET 203 Ca 0.13 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2qr2 h MET 203 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2qr2 h MET 203 CO -0.00 0.69 0.09 0.28 1.06 0.00 0.00 176.91 179.02 2qr2 h VAL 204 N -0.14 1.14 -0.93 -2.22 2.07 -0.66 -2.05 116.25 113.46 2qr2 h VAL 204 Ca 0.02 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2qr2 h VAL 204 Cb 0.64 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2qr2 h VAL 204 CO 0.03 0.14 0.61 0.00 0.02 0.00 0.00 177.57 178.37 2qr2 h ALA 205 N 0.94 1.18 -0.20 1.67 0.00 -0.55 -0.35 119.26 121.96 2qr2 h ALA 205 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2qr2 h ALA 205 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qr2 h ALA 205 CO -0.01 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 2qr2 h ALA 206 N 1.35 1.54 0.32 0.00 0.00 -0.92 -0.05 119.26 121.51 2qr2 h ALA 206 Ca 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qr2 h ALA 206 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qr2 h ALA 206 CO -0.08 0.33 -0.16 2.35 0.00 0.00 0.00 179.25 181.69 2qr2 h TRP 207 N 0.29 -0.40 -0.18 0.00 -0.00 -0.36 -0.12 115.95 115.18 2qr2 h TRP 207 Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 2qr2 h TRP 207 Cb 0.29 0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 2qr2 h TRP 207 CO 0.01 -0.10 0.09 0.66 -0.00 0.00 0.00 178.44 179.10 2qr2 h SER 208 N -0.71 0.23 -0.76 2.65 4.64 -1.18 -1.51 113.55 116.91 2qr2 h SER 208 Ca -0.04 -0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 2qr2 h SER 208 Cb 0.49 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 2qr2 h SER 208 CO 0.07 0.28 0.39 1.56 -0.87 0.00 0.00 176.83 178.27 2qr2 h GLN 209 N 0.17 0.64 -0.70 4.77 4.20 -1.02 -0.21 115.11 122.96 2qr2 h GLN 209 Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2qr2 h GLN 209 Cb 0.10 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2qr2 h GLN 209 CO -0.01 0.42 0.31 -0.09 -0.67 0.00 0.00 178.83 178.80 2qr2 h ARG 210 N 0.65 1.02 -0.12 1.46 2.43 -0.67 -2.27 114.38 116.88 2qr2 h ARG 210 Ca 0.38 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2qr2 h ARG 210 Cb 0.40 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2qr2 h ARG 210 CO -0.27 0.82 0.16 -0.07 -1.51 0.00 0.00 179.97 179.10 2qr2 h LEU 211 N 0.98 0.00 -1.62 3.80 3.38 0.00 -1.55 115.31 120.31 2qr2 h LEU 211 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qr2 h LEU 211 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qr2 h LEU 211 CO -0.03 0.00 -0.12 1.56 0.09 0.00 0.00 178.44 179.94 2qr2 h GLN 212 N 0.00 0.09 -0.03 1.13 4.20 -0.99 -3.06 115.11 116.45 2qr2 h GLN 212 Ca 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qr2 h GLN 212 Cb 0.38 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2qr2 h GLN 212 CO -0.00 0.22 0.00 0.25 -0.67 0.00 0.00 178.83 178.63 2qr2 n THR 213 N -4.35 1.54 -0.32 -0.54 -2.24 -0.61 -4.77 114.28 102.98 2qr2 n THR 213 Ca -0.02 -1.71 0.14 0.00 -2.27 0.00 0.00 64.05 60.20 2qr2 n THR 213 Cb 0.22 0.07 0.37 0.00 -2.10 0.00 0.00 70.33 68.89 2qr2 n THR 213 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2qr2 h ILE 214 N 0.20 0.72 0.00 2.28 3.07 -1.37 0.10 117.51 122.50 2qr2 h ILE 214 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 2qr2 h ILE 214 Cb 0.82 -0.03 0.00 0.00 -0.27 0.00 0.00 36.82 37.35 2qr2 h ILE 214 CO 0.01 0.13 0.00 -0.50 -1.05 0.00 0.00 178.15 176.74 2qr2 h TRP 215 N 0.69 0.00 -0.17 0.16 4.06 -1.86 -1.50 115.95 117.33 2qr2 h TRP 215 Ca 0.54 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.49 2qr2 h TRP 215 Cb 0.94 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 2qr2 h TRP 215 CO -0.00 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 176.51 2qr2 n LYS 216 N -2.52 2.30 -2.57 0.49 4.01 0.01 -4.98 118.16 114.91 2qr2 n LYS 216 Ca 0.01 -1.92 -0.35 0.00 -0.51 0.00 0.00 58.31 55.53 2qr2 n LYS 216 Cb 0.20 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 2qr2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2qr2 s GLU 217 N -1.80 4.04 -0.17 1.97 2.02 -0.57 -5.05 118.70 119.15 2qr2 s GLU 217 Ca 0.33 1.42 -0.11 0.00 0.02 0.00 0.00 54.97 56.64 2qr2 s GLU 217 Cb 0.21 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 2qr2 s GLU 217 CO 0.31 -0.23 0.18 -1.21 0.02 0.00 0.00 175.26 174.33 2qr2 s GLU 218 N -2.82 4.06 0.25 1.61 2.02 -1.26 -5.06 118.70 117.50 2qr2 s GLU 218 Ca 0.62 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 55.20 2qr2 s GLU 218 Cb -0.19 -3.37 -0.10 0.00 0.10 0.00 0.00 34.13 30.57 2qr2 s GLU 218 CO 0.23 0.38 1.47 -2.14 0.02 0.00 0.00 175.26 175.23 2qr2 s PRO 219 N 0.09 4.24 0.58 0.39 0.02 -1.26 -4.67 135.00 134.39 2qr2 s PRO 219 Ca 0.12 2.35 -0.19 0.00 0.02 0.00 0.00 61.00 63.30 2qr2 s PRO 219 Cb -0.12 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2qr2 s PRO 219 CO 0.01 -0.46 1.20 0.96 -0.33 0.00 0.00 177.00 178.37 2qr2 s ILE 220 N 0.06 2.74 -1.09 2.83 -4.36 -0.06 -4.88 121.20 116.44 2qr2 s ILE 220 Ca 0.61 0.47 -0.22 0.00 -0.26 0.00 0.00 60.65 61.24 2qr2 s ILE 220 Cb -0.43 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.10 2qr2 s ILE 220 CO 0.43 -0.09 1.72 -2.16 0.24 0.00 0.00 174.94 175.08 2qr2 s PRO 221 N -3.28 3.25 -0.69 0.37 0.04 -1.26 -4.75 135.00 128.68 2qr2 s PRO 221 Ca 0.76 -1.14 -0.27 0.00 0.04 0.00 0.00 61.00 60.39 2qr2 s PRO 221 Cb -0.29 -5.31 -0.25 0.00 0.04 0.00 0.00 34.50 28.68 2qr2 s PRO 221 CO 0.32 -2.80 1.88 0.00 0.04 0.00 0.00 177.00 176.44 2qr2 s THR 223 N 11.14 2.06 0.25 0.00 -4.23 -1.26 -4.97 115.64 118.63 2qr2 s THR 223 Ca 0.72 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 2qr2 s THR 223 Cb 0.05 -2.85 0.12 0.00 1.34 0.00 0.00 72.50 71.17 2qr2 s THR 223 CO 0.23 -0.08 1.77 0.00 -0.54 0.00 0.00 174.62 175.99 2qr2 h ALA 224 N 1.89 1.10 -0.75 3.99 0.00 -2.00 -2.59 119.26 120.89 2qr2 h ALA 224 Ca -0.43 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.25 2qr2 h ALA 224 Cb 1.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2qr2 h ALA 224 CO 0.76 0.58 0.49 1.25 0.00 0.00 0.00 179.25 182.33 2qr2 h HIS 225 N 0.82 0.92 -0.70 0.00 -0.00 -1.93 0.11 115.15 114.37 2qr2 h HIS 225 Ca 0.17 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2qr2 h HIS 225 Cb 0.40 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 2qr2 h HIS 225 CO 0.02 0.55 0.46 2.35 -0.00 0.00 0.00 177.93 181.32 2qr2 h TRP 226 N 0.97 0.88 0.10 5.26 7.01 -1.71 0.36 115.95 128.82 2qr2 h TRP 226 Ca 0.29 0.02 -0.27 0.00 2.11 0.00 0.00 58.89 61.04 2qr2 h TRP 226 Cb -0.05 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 26.73 2qr2 h TRP 226 CO -0.03 0.55 -1.17 0.45 -2.79 0.00 0.00 178.44 175.46 2qr2 h HIS 227 N 0.94 0.66 0.00 2.65 3.86 -1.21 -3.42 115.15 118.63 2qr2 h HIS 227 Ca 0.26 -0.43 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2qr2 h HIS 227 Cb -0.10 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2qr2 h HIS 227 CO -0.03 1.29 -1.26 1.19 0.86 0.00 0.00 177.93 179.99 2qr2 n PHE 228 N -3.66 0.00 -1.14 2.45 3.72 0.34 -4.22 117.46 114.95 2qr2 n PHE 228 Ca -0.09 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.02 2qr2 n PHE 228 Cb 0.96 -0.17 0.23 0.00 -0.94 0.00 0.00 39.48 39.56 2qr2 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qr2 n GLY 229 N 3.16 -2.58 0.00 1.37 0.00 0.13 -5.02 105.19 102.25 2qr2 n GLY 229 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2qr2 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14