#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 2.73 3.26 0.00 0.00 -1.26 -5.14 105.19 104.78 2qr2 n GLY 2 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 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 0.28 1.15 -0.11 1.61 -0.14 -1.26 -5.04 119.74 116.23 2qr2 s LYS 3 Ca 0.00 -1.07 -0.04 0.00 -1.36 0.00 0.00 55.97 53.50 2qr2 s LYS 3 Cb 0.00 -1.34 -0.03 0.00 -1.68 0.00 0.00 37.83 34.77 2qr2 s LYS 3 CO 0.00 0.32 0.03 0.15 -0.76 0.00 0.00 175.35 175.09 2qr2 s LYS 4 N -1.68 3.27 -0.03 1.68 1.02 -1.26 -1.12 119.74 121.62 2qr2 s LYS 4 Ca 0.06 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2qr2 s LYS 4 Cb -0.10 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 2qr2 s LYS 4 CO 0.03 0.61 -0.12 0.08 -0.92 0.00 0.00 175.35 175.04 2qr2 s VAL 5 N -0.61 1.00 -0.18 3.17 1.01 0.11 -0.28 120.40 124.62 2qr2 s VAL 5 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2qr2 s VAL 5 Cb -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2qr2 s VAL 5 CO 0.02 0.30 -0.14 -0.22 0.00 0.00 0.00 175.10 175.07 2qr2 s LEU 6 N 0.17 2.47 -0.35 3.92 2.96 -0.28 -0.50 118.68 127.06 2qr2 s LEU 6 Ca -0.04 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2qr2 s LEU 6 Cb -0.10 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.07 2qr2 s LEU 6 CO 0.01 0.03 0.12 -0.63 -1.32 0.00 0.00 176.35 174.56 2qr2 s ILE 7 N 1.12 3.62 -0.54 6.68 1.01 0.65 -0.48 121.20 133.26 2qr2 s ILE 7 Ca 0.01 -1.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.08 2qr2 s ILE 7 Cb -0.14 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.23 2qr2 s ILE 7 CO -0.05 -0.27 0.96 -0.69 0.00 0.00 0.00 174.94 174.89 2qr2 s VAL 8 N 1.34 4.36 -0.22 2.92 1.01 0.53 -0.46 120.40 129.88 2qr2 s VAL 8 Ca -0.01 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 2qr2 s VAL 8 Cb -0.20 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 2qr2 s VAL 8 CO 0.01 -1.11 0.15 -0.47 0.00 0.00 0.00 175.10 173.68 2qr2 s TYR 9 N 4.02 3.36 -0.52 5.22 5.04 0.65 -1.37 117.35 133.75 2qr2 s TYR 9 Ca 0.32 0.28 0.04 0.00 -2.44 0.00 0.00 57.07 55.26 2qr2 s TYR 9 Cb -0.12 -2.23 0.16 0.00 0.35 0.00 0.00 41.96 40.12 2qr2 s TYR 9 CO 0.20 0.16 0.35 0.00 -1.34 0.00 0.00 175.55 174.93 2qr2 s ALA 10 N 0.76 2.53 -0.17 3.97 0.00 -0.47 -1.51 121.76 126.86 2qr2 s ALA 10 Ca 0.08 -2.99 -0.28 0.00 0.00 0.00 0.00 51.96 48.77 2qr2 s ALA 10 Cb -0.12 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.16 2qr2 s ALA 10 CO 0.02 -2.05 0.71 -1.58 0.00 0.00 0.00 175.76 172.86 2qr2 s HIS 11 N -0.34 -0.72 -0.05 0.00 5.04 -1.26 -4.28 115.29 113.67 2qr2 s HIS 11 Ca 0.24 1.55 -0.22 0.00 -1.54 0.00 0.00 55.06 55.09 2qr2 s HIS 11 Cb -0.10 0.34 -0.30 0.00 0.04 0.00 0.00 32.58 32.56 2qr2 s HIS 11 CO -0.11 -0.48 0.92 1.96 -2.34 0.00 0.00 174.74 174.69 2qr2 h GLN 12 N 4.07 0.29 -5.50 2.88 7.50 -1.99 -3.44 115.11 118.92 2qr2 h GLN 12 Ca -0.28 -0.46 -0.62 0.00 0.50 0.00 0.00 58.65 57.79 2qr2 h GLN 12 Cb 1.15 0.17 -0.12 0.00 0.05 0.00 0.00 27.48 28.73 2qr2 h GLN 12 CO 0.21 1.20 0.14 -2.00 -1.50 0.00 0.00 178.83 176.88 2qr2 s GLU 13 N -2.53 3.96 0.47 1.46 2.56 -1.26 -4.95 118.70 118.42 2qr2 s GLU 13 Ca -0.14 0.36 0.16 0.00 0.00 0.00 0.00 54.97 55.36 2qr2 s GLU 13 Cb 0.01 -3.71 1.11 0.00 2.00 0.00 0.00 34.13 33.54 2qr2 s GLU 13 CO 0.82 -0.52 2.03 -1.35 -0.56 0.00 0.00 175.26 175.67 2qr2 h PRO 14 N 8.11 0.00 -0.60 4.30 0.11 -1.98 -2.22 132.00 139.71 2qr2 h PRO 14 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qr2 h PRO 14 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qr2 h PRO 14 CO 0.79 0.15 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 2qr2 n LYS 15 N -4.26 1.95 -2.40 1.05 5.02 -1.26 -4.31 118.16 113.96 2qr2 n LYS 15 Ca -0.02 -0.94 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 2qr2 n LYS 15 Cb 0.22 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.56 5.13 0.50 4.39 1.04 -0.83 -4.91 113.70 118.45 2qr2 s SER 16 Ca 0.17 0.37 0.17 0.00 0.48 0.00 0.00 55.95 57.13 2qr2 s SER 16 Cb 0.11 -1.17 1.20 0.00 0.10 0.00 0.00 66.02 66.26 2qr2 s SER 16 CO 0.07 -1.33 2.09 0.15 0.98 0.00 0.00 173.24 175.21 2qr2 h PHE 17 N -0.29 0.00 -0.12 5.02 3.57 -1.91 0.03 116.94 123.24 2qr2 h PHE 17 Ca -0.44 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.90 2qr2 h PHE 17 Cb 1.30 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.04 2qr2 h PHE 17 CO 0.38 0.08 -0.53 -0.91 -2.23 0.00 0.00 178.31 175.09 2qr2 h ASN 18 N 0.00 0.67 -0.83 0.41 2.35 -1.93 -1.45 115.58 114.80 2qr2 h ASN 18 Ca -0.00 -0.63 -0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2qr2 h ASN 18 Cb 0.14 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2qr2 h ASN 18 CO 0.01 1.19 0.51 1.23 -1.65 0.00 0.00 177.43 178.73 2qr2 h GLY 19 N 0.20 1.20 0.80 2.83 0.00 -1.42 -0.98 103.07 105.69 2qr2 h GLY 19 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2qr2 h GLY 19 CO 0.11 0.47 0.01 1.76 0.00 0.00 0.00 176.54 178.89 2qr2 h SER 20 N 1.14 0.27 0.07 0.19 0.02 -1.03 0.13 113.55 114.34 2qr2 h SER 20 Ca 0.30 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qr2 h SER 20 Cb -0.06 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 2qr2 h SER 20 CO -0.06 0.50 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.05 2qr2 h LEU 21 N 0.04 0.00 0.03 5.07 3.38 -0.93 0.25 115.31 123.15 2qr2 h LEU 21 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2qr2 h LEU 21 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2qr2 h LEU 21 CO 0.01 0.01 -0.51 0.50 0.09 0.00 0.00 178.44 178.54 2qr2 h LYS 22 N 0.00 0.06 -0.90 1.13 3.11 -0.59 -2.94 116.57 116.45 2qr2 h LYS 22 Ca -0.00 -0.11 0.06 0.00 -2.81 0.00 0.00 60.65 57.80 2qr2 h LYS 22 Cb 0.05 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.26 2qr2 h LYS 22 CO 0.00 1.05 0.58 -0.91 -2.81 0.00 0.00 179.45 177.37 2qr2 h ASN 23 N -0.85 0.89 -0.27 4.20 2.35 0.05 -0.51 115.58 121.44 2qr2 h ASN 23 Ca -0.12 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2qr2 h ASN 23 Cb 1.22 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2qr2 h ASN 23 CO -0.02 0.57 0.13 0.58 -1.65 0.00 0.00 177.43 177.04 2qr2 h VAL 24 N 1.01 1.14 -0.66 2.81 2.07 -0.64 0.17 116.25 122.15 2qr2 h VAL 24 Ca 0.39 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2qr2 h VAL 24 Cb 0.20 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2qr2 h VAL 24 CO -0.14 0.14 0.26 0.00 0.02 0.00 0.00 177.57 177.84 2qr2 h ALA 25 N 0.99 1.20 -0.19 1.67 0.00 -1.10 -0.18 119.26 121.66 2qr2 h ALA 25 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2qr2 h ALA 25 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qr2 h ALA 25 CO -0.01 0.58 -0.05 0.28 0.00 0.00 0.00 179.25 180.04 2qr2 h VAL 26 N 0.96 1.29 0.11 0.00 2.07 -0.75 -0.93 116.25 119.00 2qr2 h VAL 26 Ca 0.22 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2qr2 h VAL 26 Cb 0.20 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2qr2 h VAL 26 CO -0.02 0.31 -0.05 0.44 0.02 0.00 0.00 177.57 178.27 2qr2 h ASP 27 N 0.07 -0.13 0.48 0.57 3.32 -0.42 -0.65 116.42 119.67 2qr2 h ASP 27 Ca 0.05 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2qr2 h ASP 27 Cb 0.50 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2qr2 h ASP 27 CO 0.02 -0.03 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.20 2qr2 h GLU 28 N -0.22 -0.62 -0.80 3.56 4.57 -1.06 0.16 114.58 120.18 2qr2 h GLU 28 Ca -0.02 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2qr2 h GLU 28 Cb 0.17 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 2qr2 h GLU 28 CO 0.03 -0.38 0.45 -0.07 -1.18 0.00 0.00 179.01 177.86 2qr2 h LEU 29 N -0.72 0.97 -0.55 1.64 3.38 -1.21 -0.74 115.31 118.08 2qr2 h LEU 29 Ca -0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2qr2 h LEU 29 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qr2 h LEU 29 CO 0.11 0.77 0.06 -1.28 0.09 0.00 0.00 178.44 178.19 2qr2 h SER 30 N 1.10 0.90 -1.01 -0.43 0.87 -1.03 -1.12 113.55 112.84 2qr2 h SER 30 Ca 0.28 -0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2qr2 h SER 30 Cb -0.00 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.65 2qr2 h SER 30 CO -0.05 0.95 0.65 -0.09 -0.53 0.00 0.00 176.83 177.76 2qr2 h ARG 31 N 0.82 1.18 0.00 2.24 2.43 -0.12 0.20 114.38 121.13 2qr2 h ARG 31 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2qr2 h ARG 31 Cb 0.45 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qr2 h ARG 31 CO 0.02 0.78 0.00 1.04 -1.51 0.00 0.00 179.97 180.30 2qr2 n GLN 32 N -4.48 0.06 -0.52 0.20 6.02 -0.36 -4.84 117.38 113.47 2qr2 n GLN 32 Ca 0.15 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2qr2 n GLN 32 Cb 0.15 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.77 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 -0.32 0.70 3.84 1.08 0.00 0.69 -5.06 105.19 106.11 2qr2 n GLY 33 Ca 0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.10 4.78 -0.01 0.00 2.01 -0.27 -4.38 115.64 115.67 2qr2 s THR 35 Ca 0.57 1.79 0.07 0.00 0.31 0.00 0.00 61.69 64.43 2qr2 s THR 35 Cb -0.10 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2qr2 s THR 35 CO 0.16 -0.09 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.09 2qr2 s VAL 36 N 2.81 2.38 -0.01 3.82 1.01 -1.26 0.06 120.40 129.21 2qr2 s VAL 36 Ca 0.40 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2qr2 s VAL 36 Cb -0.16 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2qr2 s VAL 36 CO 0.08 0.51 -0.04 -0.89 0.00 0.00 0.00 175.10 174.76 2qr2 s THR 37 N -0.71 0.38 -0.06 3.92 2.01 0.34 -4.95 115.64 116.57 2qr2 s THR 37 Ca 0.11 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2qr2 s THR 37 Cb -0.10 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2qr2 s THR 37 CO 0.01 0.12 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.20 2qr2 s VAL 38 N 0.05 1.46 -0.57 3.82 1.01 -1.26 -0.26 120.40 124.64 2qr2 s VAL 38 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2qr2 s VAL 38 Cb -0.04 -1.27 0.15 0.00 0.00 0.00 0.00 36.38 35.22 2qr2 s VAL 38 CO -0.00 0.42 0.43 -0.44 0.00 0.00 0.00 175.10 175.51 2qr2 s SER 39 N 0.27 5.64 -1.24 3.32 0.01 0.39 -4.95 113.70 117.14 2qr2 s SER 39 Ca -0.10 -2.39 -0.17 0.00 1.31 0.00 0.00 55.95 54.60 2qr2 s SER 39 Cb -0.14 -1.96 0.10 0.00 0.21 0.00 0.00 66.02 64.23 2qr2 s SER 39 CO 0.04 -0.54 1.61 -0.62 0.41 0.00 0.00 173.24 174.14 2qr2 s ASP 40 N 1.77 6.87 0.24 2.44 -1.08 -1.26 -0.26 116.67 125.39 2qr2 s ASP 40 Ca 0.12 -2.50 -0.14 0.00 -0.52 0.00 0.00 52.55 49.52 2qr2 s ASP 40 Cb -0.21 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.03 2qr2 s ASP 40 CO -0.03 -1.08 1.57 -0.07 0.52 0.00 0.00 175.17 176.08 2qr2 h LEU 41 N 11.76 -1.04 -0.63 -1.34 3.38 -1.65 0.62 115.31 126.42 2qr2 h LEU 41 Ca 0.38 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.60 2qr2 h LEU 41 Cb 0.89 0.61 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2qr2 h LEU 41 CO 1.39 -0.29 0.28 1.88 0.09 0.00 0.00 178.44 181.78 2qr2 h TYR 42 N -0.03 0.93 -0.12 1.13 0.05 -1.84 0.37 116.97 117.46 2qr2 h TYR 42 Ca 0.37 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 59.03 2qr2 h TYR 42 Cb 0.62 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 2qr2 h TYR 42 CO -0.73 0.72 -0.20 0.00 -1.05 0.00 0.00 178.16 176.89 2qr2 h ALA 43 N 1.11 1.44 0.00 3.88 0.00 -1.35 -0.80 119.26 123.54 2qr2 h ALA 43 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qr2 h ALA 43 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qr2 h ALA 43 CO -0.02 0.39 -0.32 0.52 0.00 0.00 0.00 179.25 179.82 2qr2 h MET 44 N 0.19 0.00 -5.62 0.00 2.86 -0.48 -3.48 114.93 108.40 2qr2 h MET 44 Ca 0.03 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.36 2qr2 h MET 44 Cb 0.47 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.30 2qr2 h MET 44 CO 0.03 0.00 -0.80 -1.71 1.06 0.00 0.00 176.91 175.49 2qr2 n ASN 45 N -2.68 -3.47 -4.75 1.22 5.15 0.12 -4.90 115.26 105.95 2qr2 n ASN 45 Ca 0.03 -0.67 -0.41 0.00 -0.60 0.00 0.00 54.58 52.93 2qr2 n ASN 45 Cb 0.50 -5.07 -0.02 0.00 -0.53 0.00 0.00 39.78 34.66 2qr2 n ASN 45 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2qr2 s PHE 46 N -3.39 2.88 -0.31 1.20 5.36 -0.55 -4.95 117.98 118.23 2qr2 s PHE 46 Ca 0.15 0.88 -0.29 0.00 -0.96 0.00 0.00 56.93 56.71 2qr2 s PHE 46 Cb -0.02 -3.95 -0.01 0.00 -0.34 0.00 0.00 43.02 38.70 2qr2 s PHE 46 CO 0.74 -3.19 1.48 -2.00 -1.46 0.00 0.00 175.22 170.78 2qr2 s GLU 47 N -0.35 3.72 0.13 10.12 2.56 -1.26 -4.89 118.70 128.72 2qr2 s GLU 47 Ca 0.62 1.29 0.12 0.00 0.00 0.00 0.00 54.97 57.00 2qr2 s GLU 47 Cb -0.45 -4.00 -0.12 0.00 2.00 0.00 0.00 34.13 31.56 2qr2 s GLU 47 CO 0.45 -1.38 1.16 -1.35 -0.56 0.00 0.00 175.26 173.58 2qr2 h PRO 48 N 10.49 0.00 -6.66 4.30 0.11 -1.89 -3.43 132.00 134.92 2qr2 h PRO 48 Ca -0.29 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.29 2qr2 h PRO 48 Cb 1.12 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.27 2qr2 h PRO 48 CO 1.04 0.66 0.68 1.03 -0.21 0.00 0.00 178.00 181.19 2qr2 s ARG 49 N -2.80 4.36 -0.54 1.05 0.52 -1.26 -4.33 118.95 115.95 2qr2 s ARG 49 Ca 0.00 2.08 -0.18 0.00 -0.52 0.00 0.00 55.73 57.11 2qr2 s ARG 49 Cb 0.09 -3.20 0.09 0.00 0.52 0.00 0.00 34.95 32.45 2qr2 s ARG 49 CO 0.80 -0.31 0.62 0.00 0.02 0.00 0.00 175.30 176.43 2qr2 s ALA 50 N 0.30 3.45 0.32 2.13 0.00 -1.26 -5.01 121.76 121.67 2qr2 s ALA 50 Ca 0.58 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 50.50 2qr2 s ALA 50 Cb -0.37 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2qr2 s ALA 50 CO 0.37 -2.12 0.08 0.25 0.00 0.00 0.00 175.76 174.34 2qr2 n THR 51 N 5.50 0.00 0.80 0.00 -2.24 -1.26 -5.02 114.28 112.06 2qr2 n THR 51 Ca -0.09 -1.75 0.10 0.00 -2.27 0.00 0.00 64.05 60.04 2qr2 n THR 51 Cb 0.43 0.56 0.46 0.00 -2.10 0.00 0.00 70.33 69.69 2qr2 n THR 51 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qr2 n ASP 52 N -1.56 0.00 0.00 3.42 5.68 -1.26 -2.46 116.55 120.37 2qr2 n ASP 52 Ca -0.07 0.29 0.10 0.00 -0.50 0.00 0.00 54.79 54.61 2qr2 n ASP 52 Cb 0.45 -0.41 0.43 0.00 -1.14 0.00 0.00 41.12 40.46 2qr2 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qr2 n LYS 53 N -1.41 0.03 0.00 0.11 5.02 -1.26 -2.56 118.16 118.09 2qr2 n LYS 53 Ca 0.07 0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 2qr2 n LYS 53 Cb 0.20 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.37 2qr2 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qr2 n ASP 54 N -1.48 0.03 -4.44 4.39 8.00 -1.03 -4.70 116.55 117.32 2qr2 n ASP 54 Ca 0.05 0.23 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 2qr2 n ASP 54 Cb 0.22 -0.39 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.84 3.04 -0.76 0.53 1.09 -1.06 -0.40 121.20 120.80 2qr2 s ILE 55 Ca 0.19 -0.71 0.12 0.00 -1.10 0.00 0.00 60.65 59.15 2qr2 s ILE 55 Cb 0.19 -2.22 -0.07 0.00 -1.06 0.00 0.00 42.46 39.30 2qr2 s ILE 55 CO 0.51 0.57 0.57 0.41 -0.10 0.00 0.00 174.94 176.90 2qr2 n THR 56 N 2.71 0.00 -3.15 2.92 -1.04 0.78 -4.91 114.28 111.59 2qr2 n THR 56 Ca -0.17 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.05 61.50 2qr2 n THR 56 Cb 0.52 1.06 0.01 0.00 -1.82 0.00 0.00 70.33 70.10 2qr2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qr2 n GLY 57 N 1.15 2.20 3.70 3.41 0.00 -1.26 -5.05 105.19 109.35 2qr2 n GLY 57 Ca 0.03 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2qr2 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr2 s THR 58 N 0.05 3.32 0.42 2.61 2.01 -1.26 -4.95 115.64 117.83 2qr2 s THR 58 Ca 0.11 0.84 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 2qr2 s THR 58 Cb -0.01 -3.54 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 2qr2 s THR 58 CO 0.07 0.03 1.34 -0.76 -0.69 0.00 0.00 174.62 174.61 2qr2 s LEU 59 N 1.90 4.17 0.10 4.42 1.43 -1.26 -4.93 118.68 124.51 2qr2 s LEU 59 Ca 0.67 2.74 -0.23 0.00 -1.03 0.00 0.00 54.13 56.28 2qr2 s LEU 59 Cb -0.36 -3.92 -0.13 0.00 0.03 0.00 0.00 46.19 41.80 2qr2 s LEU 59 CO 0.29 -0.96 1.73 -1.28 0.23 0.00 0.00 176.35 176.36 2qr2 h SER 60 N 2.54 -0.06 -3.05 2.29 0.87 -1.93 -3.36 113.55 110.86 2qr2 h SER 60 Ca -0.50 0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 59.47 2qr2 h SER 60 Cb 1.25 0.03 -0.40 0.00 -0.44 0.00 0.00 62.40 62.84 2qr2 h SER 60 CO 0.62 -0.03 -0.79 0.21 -0.53 0.00 0.00 176.83 176.31 2qr2 s ASN 61 N -5.17 3.21 0.23 6.23 2.47 -1.26 -4.97 114.94 115.68 2qr2 s ASN 61 Ca -0.13 -2.78 0.21 0.00 0.42 0.00 0.00 52.86 50.58 2qr2 s ASN 61 Cb 0.07 -0.87 0.93 0.00 -1.45 0.00 0.00 41.25 39.93 2qr2 s ASN 61 CO 0.66 -0.23 1.63 -0.81 -3.72 0.00 0.00 177.10 174.63 2qr2 n PRO 62 N 3.31 0.15 -0.02 0.43 -0.04 -1.26 -2.98 135.00 134.59 2qr2 n PRO 62 Ca 0.15 0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 63.91 2qr2 n PRO 62 Cb 0.38 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 2qr2 n PRO 62 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2qr2 h GLU 63 N 0.00 0.28 -4.08 0.54 4.81 -1.95 -3.41 114.58 110.76 2qr2 h GLU 63 Ca 0.00 -0.27 -0.60 0.00 -0.13 0.00 0.00 59.36 58.35 2qr2 h GLU 63 Cb 0.25 0.07 -0.39 0.00 0.63 0.00 0.00 28.75 29.31 2qr2 h GLU 63 CO 0.00 0.96 -0.76 0.08 -0.73 0.00 0.00 179.01 178.56 2qr2 s VAL 64 N -3.32 1.37 -0.32 0.32 1.01 -1.16 -5.10 120.40 113.20 2qr2 s VAL 64 Ca -0.15 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 2qr2 s VAL 64 Cb 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2qr2 s VAL 64 CO 0.77 -0.41 1.35 0.12 0.00 0.00 0.00 175.10 176.94 2qr2 s PHE 65 N 1.41 2.57 -0.38 5.22 5.36 -1.25 -4.75 117.98 126.16 2qr2 s PHE 65 Ca 0.03 0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 56.78 2qr2 s PHE 65 Cb -0.18 -4.02 0.09 0.00 -0.34 0.00 0.00 43.02 38.57 2qr2 s PHE 65 CO -0.13 -1.88 0.14 1.21 -1.46 0.00 0.00 175.22 173.10 2qr2 s ASN 66 N 3.20 5.12 0.22 6.13 3.84 -1.26 -5.00 114.94 127.18 2qr2 s ASN 66 Ca 0.59 -1.87 -0.14 0.00 0.21 0.00 0.00 52.86 51.65 2qr2 s ASN 66 Cb -0.16 -1.78 0.25 0.00 -0.55 0.00 0.00 41.25 39.01 2qr2 s ASN 66 CO 0.26 -0.46 1.61 0.22 -2.79 0.00 0.00 177.10 175.94 2qr2 h TYR 67 N 7.98 -0.48 0.19 0.43 3.20 -1.97 0.45 116.97 126.78 2qr2 h TYR 67 Ca -0.14 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2qr2 h TYR 67 Cb 1.05 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 2qr2 h TYR 67 CO 0.55 -0.32 -0.19 0.78 -1.64 0.00 0.00 178.16 177.34 2qr2 h GLY 68 N -0.03 -0.41 0.87 1.82 0.00 -1.99 0.47 103.07 103.80 2qr2 h GLY 68 Ca 0.32 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.89 2qr2 h GLY 68 CO -0.72 -0.18 0.21 -2.08 0.00 0.00 0.00 176.54 173.76 2qr2 h VAL 69 N -0.41 1.01 -0.29 4.60 2.07 -1.87 -1.29 116.25 120.07 2qr2 h VAL 69 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2qr2 h VAL 69 Cb 0.39 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2qr2 h VAL 69 CO -0.05 0.08 0.15 -0.33 0.02 0.00 0.00 177.57 177.43 2qr2 h GLU 70 N 0.42 0.41 -0.28 1.57 4.39 -0.68 -1.44 114.58 118.97 2qr2 h GLU 70 Ca 0.15 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 2qr2 h GLU 70 Cb 0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2qr2 h GLU 70 CO -0.09 0.38 -0.33 1.79 -1.16 0.00 0.00 179.01 179.61 2qr2 h THR 71 N 0.34 1.28 -0.64 1.13 1.35 -0.82 0.16 112.91 115.72 2qr2 h THR 71 Ca 0.10 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 2qr2 h THR 71 Cb 0.10 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 2qr2 h THR 71 CO -0.01 0.46 0.31 -0.74 -0.25 0.00 0.00 175.52 175.29 2qr2 h HIS 72 N 0.51 0.93 -0.21 4.73 -0.00 -1.06 0.15 115.15 120.20 2qr2 h HIS 72 Ca 0.06 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 2qr2 h HIS 72 Cb 0.81 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.93 2qr2 h HIS 72 CO 0.03 0.70 -0.17 1.49 -0.00 0.00 0.00 177.93 179.98 2qr2 h GLU 73 N 0.89 0.48 -1.00 5.26 4.57 -1.00 -2.99 114.58 120.79 2qr2 h GLU 73 Ca 0.22 -0.24 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2qr2 h GLU 73 Cb 0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 2qr2 h GLU 73 CO -0.03 0.81 0.65 0.00 -1.18 0.00 0.00 179.01 179.27 2qr2 h ALA 74 N 0.66 1.32 -0.46 2.92 0.00 -0.36 0.28 119.26 123.62 2qr2 h ALA 74 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qr2 h ALA 74 Cb 0.71 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2qr2 h ALA 74 CO 0.04 0.56 0.27 -0.92 0.00 0.00 0.00 179.25 179.20 2qr2 h TYR 75 N 1.27 0.61 -0.23 0.00 3.20 -0.69 0.37 116.97 121.51 2qr2 h TYR 75 Ca 0.40 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.14 2qr2 h TYR 75 Cb -0.01 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2qr2 h TYR 75 CO -0.00 0.44 -0.35 0.87 -1.64 0.00 0.00 178.16 177.48 2qr2 h LYS 76 N 0.61 0.49 -0.10 1.82 1.57 -1.25 -2.80 116.57 116.90 2qr2 h LYS 76 Ca 0.16 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qr2 h LYS 76 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qr2 h LYS 76 CO -0.03 0.77 0.00 1.04 -0.57 0.00 0.00 179.45 180.66 2qr2 n GLN 77 N -4.06 1.50 -3.03 3.15 1.13 0.03 -4.91 117.38 111.19 2qr2 n GLN 77 Ca -0.01 -0.75 -0.22 0.00 -1.94 0.00 0.00 57.00 54.08 2qr2 n GLN 77 Cb 0.47 -1.38 0.02 0.00 0.11 0.00 0.00 30.24 29.46 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 -0.04 -4.23 -0.93 -1.09 1.74 0.27 -4.90 116.66 107.48 2qr2 n ARG 78 Ca 0.16 0.81 -0.05 0.00 -0.77 0.00 0.00 57.85 58.00 2qr2 n ARG 78 Cb 0.25 -5.61 0.18 0.00 -1.02 0.00 0.00 32.46 26.26 2qr2 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qr2 n SER 79 N -2.41 2.74 -4.90 0.55 3.41 0.10 -5.01 113.62 108.10 2qr2 n SER 79 Ca -0.10 -3.83 -0.28 0.00 -0.26 0.00 0.00 58.87 54.40 2qr2 n SER 79 Cb 0.61 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2qr2 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qr2 s LEU 80 N -3.32 3.56 0.44 1.04 1.43 -1.24 -0.16 118.68 120.43 2qr2 s LEU 80 Ca 0.44 1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 54.30 2qr2 s LEU 80 Cb 0.40 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 2qr2 s LEU 80 CO -0.02 -0.63 1.35 0.00 0.23 0.00 0.00 176.35 177.28 2qr2 s ALA 81 N -2.82 3.19 0.17 4.21 0.00 0.46 -4.75 121.76 122.22 2qr2 s ALA 81 Ca 0.49 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 2qr2 s ALA 81 Cb -0.10 -3.53 0.12 0.00 0.00 0.00 0.00 23.12 19.60 2qr2 s ALA 81 CO 0.46 -1.02 1.65 0.66 0.00 0.00 0.00 175.76 177.52 2qr2 h SER 82 N 2.36 -0.48 -0.44 0.00 4.64 -1.95 -1.34 113.55 116.34 2qr2 h SER 82 Ca -0.50 0.14 0.12 0.00 -0.47 0.00 0.00 61.79 61.08 2qr2 h SER 82 Cb 1.26 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 63.63 2qr2 h SER 82 CO 0.61 -0.17 0.32 -2.24 -0.87 0.00 0.00 176.83 174.48 2qr2 h ASP 83 N -0.03 0.04 0.09 4.97 2.03 -2.00 -0.03 116.42 121.49 2qr2 h ASP 83 Ca 0.21 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.51 2qr2 h ASP 83 Cb 0.35 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2qr2 h ASP 83 CO -0.46 0.02 -0.04 0.40 -1.03 0.00 0.00 179.24 178.13 2qr2 h ILE 84 N 0.04 1.17 -0.34 4.15 2.04 -1.62 -3.19 117.51 119.77 2qr2 h ILE 84 Ca 0.21 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2qr2 h ILE 84 Cb 0.78 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2qr2 h ILE 84 CO -0.01 0.28 0.18 0.71 0.00 0.00 0.00 178.15 179.31 2qr2 h THR 85 N -0.68 1.11 -0.11 -0.27 1.35 -0.95 -2.07 112.91 111.28 2qr2 h THR 85 Ca -0.01 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2qr2 h THR 85 Cb 0.55 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2qr2 h THR 85 CO 0.02 0.12 0.03 0.44 -0.25 0.00 0.00 175.52 175.88 2qr2 h ASP 86 N 0.47 0.02 -0.63 5.36 5.19 -1.08 -0.49 116.42 125.27 2qr2 h ASP 86 Ca 0.12 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.47 2qr2 h ASP 86 Cb 0.02 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 2qr2 h ASP 86 CO -0.02 0.03 0.11 -0.33 -3.12 0.00 0.00 179.24 175.91 2qr2 h GLU 87 N 0.08 1.05 0.00 3.56 4.39 -1.46 -2.15 114.58 120.06 2qr2 h GLU 87 Ca 0.05 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2qr2 h GLU 87 Cb 0.04 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2qr2 h GLU 87 CO -0.06 0.96 -0.11 1.96 -1.16 0.00 0.00 179.01 180.61 2qr2 h GLN 88 N 0.99 0.00 -0.11 2.33 4.20 -0.88 -0.79 115.11 120.85 2qr2 h GLN 88 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2qr2 h GLN 88 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2qr2 h GLN 88 CO 0.01 0.11 -0.12 0.87 -0.67 0.00 0.00 178.83 179.02 2qr2 h LYS 89 N 0.00 0.28 -0.73 1.46 1.57 -0.45 -0.96 116.57 117.75 2qr2 h LYS 89 Ca -0.00 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2qr2 h LYS 89 Cb 0.21 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2qr2 h LYS 89 CO 0.01 0.70 0.29 0.87 -0.57 0.00 0.00 179.45 180.76 2qr2 h LYS 90 N -0.12 1.08 -0.25 3.15 1.57 -1.11 -2.07 116.57 118.82 2qr2 h LYS 90 Ca 0.02 -0.19 -0.15 0.00 -1.87 0.00 0.00 60.65 58.46 2qr2 h LYS 90 Cb 0.65 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2qr2 h LYS 90 CO 0.03 0.88 -0.43 0.28 -0.57 0.00 0.00 179.45 179.64 2qr2 h VAL 91 N 1.06 1.30 -0.99 0.50 2.07 -1.15 -1.29 116.25 117.76 2qr2 h VAL 91 Ca 0.25 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 66.17 2qr2 h VAL 91 Cb 0.20 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 2qr2 h VAL 91 CO -0.02 0.52 0.65 -0.09 0.02 0.00 0.00 177.57 178.65 2qr2 h ARG 92 N 0.47 1.23 0.00 1.57 2.43 -0.92 -2.71 114.38 116.45 2qr2 h ARG 92 Ca 0.02 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 2qr2 h ARG 92 Cb 1.03 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2qr2 h ARG 92 CO 0.10 0.82 -0.91 0.93 -1.51 0.00 0.00 179.97 179.40 2qr2 h GLU 93 N 1.27 0.00 -7.17 0.20 5.08 -1.37 -3.47 114.58 109.12 2qr2 h GLU 93 Ca 0.39 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.22 2qr2 h GLU 93 Cb -0.03 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.37 2qr2 h GLU 93 CO -0.11 0.40 0.40 0.00 -1.00 0.00 0.00 179.01 178.69 2qr2 s ALA 94 N -2.96 2.23 -0.09 3.43 0.00 -0.49 -4.69 121.76 119.20 2qr2 s ALA 94 Ca 0.01 0.85 0.10 0.00 0.00 0.00 0.00 51.96 52.92 2qr2 s ALA 94 Cb 0.08 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 2qr2 s ALA 94 CO 0.78 -1.69 0.09 -0.25 0.00 0.00 0.00 175.76 174.69 2qr2 n ASP 95 N -2.52 2.31 -3.87 0.00 8.00 0.61 -4.93 116.55 116.17 2qr2 n ASP 95 Ca 0.13 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2qr2 n ASP 95 Cb 0.50 0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 42.39 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 -4.58 1.56 -0.17 0.64 2.96 -1.06 -1.31 118.68 116.72 2qr2 s LEU 96 Ca -0.05 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2qr2 s LEU 96 Cb 0.04 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.56 2qr2 s LEU 96 CO 0.46 -0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.56 2qr2 s VAL 97 N 0.51 2.01 -0.09 1.68 1.01 -0.73 -1.13 120.40 123.65 2qr2 s VAL 97 Ca -0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2qr2 s VAL 97 Cb -0.08 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2qr2 s VAL 97 CO -0.01 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 2qr2 s ILE 98 N 1.29 3.69 -0.22 2.22 1.01 0.37 -1.34 121.20 128.21 2qr2 s ILE 98 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2qr2 s ILE 98 Cb -0.13 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 2qr2 s ILE 98 CO -0.12 0.57 -0.06 -0.36 0.00 0.00 0.00 174.94 174.97 2qr2 s PHE 99 N -0.42 2.95 -0.27 3.97 0.08 -0.27 -0.35 117.98 123.66 2qr2 s PHE 99 Ca 0.06 -1.04 -0.06 0.00 0.12 0.00 0.00 56.93 56.01 2qr2 s PHE 99 Cb -0.12 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2qr2 s PHE 99 CO 0.02 -0.58 0.05 -1.14 -0.10 0.00 0.00 175.22 173.46 2qr2 s GLN 100 N 1.45 3.20 -0.02 0.44 2.00 -0.47 0.06 119.66 126.32 2qr2 s GLN 100 Ca 0.05 -0.77 -0.29 0.00 -2.00 0.00 0.00 55.36 52.35 2qr2 s GLN 100 Cb -0.14 -3.27 0.09 0.00 0.80 0.00 0.00 33.01 30.48 2qr2 s GLN 100 CO -0.04 -0.36 0.77 -0.59 -0.50 0.00 0.00 175.29 174.57 2qr2 s PHE 101 N 1.50 -0.51 0.25 1.67 -0.12 -0.74 -1.37 117.98 118.66 2qr2 s PHE 101 Ca 0.03 0.68 -0.20 0.00 -0.05 0.00 0.00 56.93 57.39 2qr2 s PHE 101 Cb -0.16 0.47 -0.09 0.00 -0.63 0.00 0.00 43.02 42.62 2qr2 s PHE 101 CO 0.01 -0.59 0.76 -1.25 -0.05 0.00 0.00 175.22 174.10 2qr2 s PRO 102 N -2.08 4.27 -0.09 1.99 0.04 -1.26 -2.23 135.00 135.64 2qr2 s PRO 102 Ca -0.03 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 2qr2 s PRO 102 Cb -0.00 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2qr2 s PRO 102 CO -0.00 0.35 1.53 -1.17 0.04 0.00 0.00 177.00 177.75 2qr2 s LEU 103 N -2.09 4.28 -0.29 -3.56 2.96 0.02 -4.36 118.68 115.64 2qr2 s LEU 103 Ca 0.45 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 2qr2 s LEU 103 Cb -0.16 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.05 2qr2 s LEU 103 CO 0.21 -0.87 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.03 2qr2 s TYR 104 N 3.83 3.32 -1.27 5.38 1.51 0.18 -4.74 117.35 125.55 2qr2 s TYR 104 Ca 0.67 -2.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.52 2qr2 s TYR 104 Cb -0.30 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 2qr2 s TYR 104 CO 0.25 -0.85 0.67 0.91 -1.11 0.00 0.00 175.55 175.42 2qr2 n TRP 105 N 4.52 -1.88 -1.68 2.71 5.03 -1.26 -1.31 117.44 123.57 2qr2 n TRP 105 Ca -0.12 0.72 -0.19 0.00 3.03 0.00 0.00 57.50 60.94 2qr2 n TRP 105 Cb 0.43 -3.98 -0.07 0.00 -1.03 0.00 0.00 31.31 26.65 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 -4.21 -0.23 -2.73 -5.99 3.01 -1.26 -4.88 117.46 101.17 2qr2 n PHE 106 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2qr2 n PHE 106 Cb 0.65 -3.36 0.00 0.00 -0.01 0.00 0.00 39.48 36.76 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 -1.31 0.00 -4.88 4.37 2.88 -0.42 -4.82 113.62 109.44 2qr2 n SER 107 Ca -0.20 -0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 56.77 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 -2.16 5.04 0.55 2.46 -7.23 -1.26 -0.65 120.40 117.16 2qr2 s VAL 108 Ca 0.00 0.30 -0.20 0.00 -1.81 0.00 0.00 61.98 60.27 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 0.03 1.03 -2.65 -0.31 0.00 0.00 175.10 173.19 2qr2 n PRO 109 N 0.10 1.11 -0.30 4.82 -0.02 -1.26 -4.56 135.00 134.90 2qr2 n PRO 109 Ca -0.02 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2qr2 n PRO 109 Cb 0.52 -2.20 0.29 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.85 1.27 -0.29 3.55 0.00 -1.97 0.18 119.26 122.86 2qr2 h ALA 110 Ca -0.48 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qr2 h ALA 110 Cb 1.35 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2qr2 h ALA 110 CO 0.53 -0.46 0.17 0.97 0.00 0.00 0.00 179.25 180.45 2qr2 h ILE 111 N 0.21 1.09 0.15 0.00 2.10 -1.93 0.01 117.51 119.14 2qr2 h ILE 111 Ca 0.55 -0.21 -0.29 0.00 1.08 0.00 0.00 64.86 65.99 2qr2 h ILE 111 Cb 1.10 0.69 0.01 0.00 -1.09 0.00 0.00 36.82 37.53 2qr2 h ILE 111 CO -0.65 0.09 -1.27 0.25 -1.08 0.00 0.00 178.15 175.49 2qr2 h LEU 112 N 0.39 0.57 -1.12 2.19 5.85 -1.02 -2.68 115.31 119.50 2qr2 h LEU 112 Ca 0.10 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2qr2 h LEU 112 Cb -0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2qr2 h LEU 112 CO -0.02 1.44 0.25 0.50 -0.34 0.00 0.00 178.44 180.27 2qr2 h LYS 113 N 0.12 0.87 -0.58 1.25 1.63 -0.51 -1.44 116.57 117.91 2qr2 h LYS 113 Ca -0.16 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 2qr2 h LYS 113 Cb 1.98 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.43 2qr2 h LYS 113 CO 0.22 0.71 0.05 0.78 -3.45 0.00 0.00 179.45 177.76 2qr2 h GLY 114 N 0.97 1.03 0.77 5.01 0.00 -0.99 0.28 103.07 110.14 2qr2 h GLY 114 Ca 0.20 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2qr2 h GLY 114 CO -0.02 0.63 -0.10 -0.25 0.00 0.00 0.00 176.54 176.80 2qr2 h TRP 115 N 0.89 -0.27 -0.79 5.60 7.01 -0.94 0.11 115.95 127.57 2qr2 h TRP 115 Ca 0.17 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 2qr2 h TRP 115 Cb 0.45 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 2qr2 h TRP 115 CO 0.03 -0.16 0.35 0.52 -2.79 0.00 0.00 178.44 176.39 2qr2 h MET 116 N -0.19 1.14 -0.47 2.65 2.86 -0.98 0.11 114.93 120.06 2qr2 h MET 116 Ca 0.03 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 2qr2 h MET 116 Cb 0.23 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2qr2 h MET 116 CO -0.08 0.90 -0.21 -0.44 1.06 0.00 0.00 176.91 178.14 2qr2 h ASP 117 N 1.13 0.98 0.26 1.22 3.32 -0.57 -2.98 116.42 119.78 2qr2 h ASP 117 Ca 0.27 -0.37 -0.33 0.00 0.02 0.00 0.00 57.03 56.62 2qr2 h ASP 117 Cb 0.15 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 2qr2 h ASP 117 CO -0.03 1.15 -2.00 0.54 -1.72 0.00 0.00 179.24 177.18 2qr2 n ARG 118 N -4.11 0.67 -0.01 3.56 1.74 -0.01 -4.56 116.66 113.94 2qr2 n ARG 118 Ca 0.00 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 2qr2 n ARG 118 Cb 0.45 -1.69 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.01 1.56 0.00 1.55 2.07 -0.91 -3.37 116.25 117.16 2qr2 h VAL 119 Ca -0.40 -2.43 -0.46 0.00 0.82 0.00 0.00 66.70 64.23 2qr2 h VAL 119 Cb 2.07 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 35.01 2qr2 h VAL 119 CO 0.05 0.65 2.09 0.18 0.02 0.00 0.00 177.57 180.56 2qr2 n LEU 120 N -4.33 7.14 -4.87 2.57 4.77 -1.12 -4.80 117.00 116.35 2qr2 n LEU 120 Ca -0.14 -3.80 -0.31 0.00 -0.03 0.00 0.00 56.01 51.73 2qr2 n LEU 120 Cb 0.68 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2qr2 n LEU 120 CO 0.40 1.85 0.73 0.00 -1.33 0.00 0.00 177.39 179.04 2qr2 s GLN 122 N -5.25 3.35 0.00 0.00 0.74 -1.26 -1.38 119.66 115.86 2qr2 s GLN 122 Ca 0.57 2.18 0.00 0.00 0.05 0.00 0.00 55.36 58.16 2qr2 s GLN 122 Cb -0.11 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.64 2qr2 s GLN 122 CO 0.53 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 2qr2 n GLY 123 N 0.66 2.70 0.07 2.59 0.00 0.58 -4.46 105.19 107.32 2qr2 n GLY 123 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 0.20 0.11 1.61 7.35 -0.86 -4.74 117.46 121.13 2qr2 n PHE 124 Ca 0.00 0.09 0.10 0.00 -0.76 0.00 0.00 57.45 56.87 2qr2 n PHE 124 Cb 0.00 -0.46 0.01 0.00 0.35 0.00 0.00 39.48 39.37 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 -1.22 0.59 -2.50 3.13 0.00 -1.49 -3.41 119.26 114.35 2qr2 h ALA 125 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.88 2qr2 h ALA 125 Cb 0.67 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 2qr2 h ALA 125 CO 0.00 0.16 0.42 -0.59 0.00 0.00 0.00 179.25 179.24 2qr2 s PHE 126 N -3.27 -0.27 0.22 0.00 -0.71 -1.26 -2.63 117.98 110.07 2qr2 s PHE 126 Ca 0.00 0.01 -0.00 0.00 -1.04 0.00 0.00 56.93 55.90 2qr2 s PHE 126 Cb 0.09 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.46 2qr2 s PHE 126 CO 0.78 -0.79 0.13 -0.51 -1.34 0.00 0.00 175.22 173.49 2qr2 s ASP 127 N -2.76 0.42 -0.35 1.98 1.01 -0.13 -0.31 116.67 116.54 2qr2 s ASP 127 Ca 0.08 -1.41 0.03 0.00 0.71 0.00 0.00 52.55 51.96 2qr2 s ASP 127 Cb -0.02 0.35 0.10 0.00 1.01 0.00 0.00 42.92 44.36 2qr2 s ASP 127 CO -0.03 -0.83 0.09 -0.63 0.21 0.00 0.00 175.17 173.97 2qr2 s ILE 128 N -4.05 1.88 0.59 0.77 -1.09 -1.26 -0.97 121.20 117.06 2qr2 s ILE 128 Ca 0.39 -2.16 -0.13 0.00 -2.23 0.00 0.00 60.65 56.52 2qr2 s ILE 128 Cb 0.07 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 2qr2 s ILE 128 CO 0.13 -0.65 1.02 -2.16 -1.23 0.00 0.00 174.94 172.05 2qr2 s PRO 129 N 0.99 3.68 0.00 2.79 0.04 -1.26 -5.13 135.00 136.11 2qr2 s PRO 129 Ca 0.11 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2qr2 s PRO 129 Cb -0.19 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2qr2 s PRO 129 CO -0.12 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2qr2 n GLY 130 N -2.29 -0.11 3.29 0.56 0.00 -0.15 -5.09 105.19 101.41 2qr2 n GLY 130 Ca 0.06 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2qr2 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qr2 s PHE 131 N 0.00 1.58 0.00 1.61 -0.71 -1.22 -0.95 117.98 118.28 2qr2 s PHE 131 Ca 0.00 -1.49 0.00 0.00 -1.04 0.00 0.00 56.93 54.40 2qr2 s PHE 131 Cb 0.00 -0.75 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 2qr2 s PHE 131 CO 0.00 -0.68 0.00 0.66 -1.34 0.00 0.00 175.22 173.86 2qr2 n TYR 132 N -0.55 0.00 0.09 3.49 4.01 0.12 -1.47 117.16 122.86 2qr2 n TYR 132 Ca 0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.90 2qr2 n TYR 132 Cb 0.64 0.00 0.61 0.00 -0.31 0.00 0.00 39.34 40.28 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 0.12 -0.57 7.72 5.19 -1.89 -1.59 116.42 125.40 2qr2 h ASP 133 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 2qr2 h ASP 133 Cb 0.00 -0.03 -0.15 0.00 0.18 0.00 0.00 39.33 39.33 2qr2 h ASP 133 CO 0.00 0.08 0.18 -1.20 -3.12 0.00 0.00 179.24 175.18 2qr2 n SER 134 N -4.47 3.36 -4.76 6.45 7.64 -0.54 -4.92 113.62 116.37 2qr2 n SER 134 Ca 0.04 -3.55 -0.38 0.00 1.01 0.00 0.00 58.87 55.99 2qr2 n SER 134 Cb 0.30 -0.70 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 2qr2 n SER 134 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qr2 s GLY 135 N -1.90 2.86 0.38 0.23 0.00 -0.60 -3.44 107.32 104.84 2qr2 s GLY 135 Ca 0.49 1.22 0.10 0.00 0.00 0.00 0.00 44.72 46.53 2qr2 s GLY 135 CO 0.06 1.73 1.90 1.41 0.00 0.00 0.00 173.10 178.20 2qr2 h LEU 136 N 1.74 0.59 -2.03 0.66 3.38 -1.44 -1.14 115.31 117.07 2qr2 h LEU 136 Ca -0.50 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2qr2 h LEU 136 Cb 1.28 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2qr2 h LEU 136 CO 0.59 0.32 0.08 0.18 0.09 0.00 0.00 178.44 179.69 2qr2 n LEU 137 N -4.52 2.99 -4.75 1.67 4.77 0.45 -4.92 117.00 112.68 2qr2 n LEU 137 Ca 0.15 -1.53 -0.38 0.00 -0.03 0.00 0.00 56.01 54.22 2qr2 n LEU 137 Cb 0.43 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2qr2 n LEU 137 CO 0.31 0.48 0.94 0.00 -1.33 0.00 0.00 177.39 177.80 2qr2 s GLN 138 N -1.09 3.29 0.00 3.23 -2.07 -0.43 -2.95 119.66 119.64 2qr2 s GLN 138 Ca 0.13 2.12 0.00 0.00 -1.82 0.00 0.00 55.36 55.79 2qr2 s GLN 138 Cb 0.10 -2.29 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 2qr2 s GLN 138 CO 0.03 -1.03 0.00 0.41 -1.32 0.00 0.00 175.29 173.38 2qr2 n GLY 139 N 0.65 2.67 3.87 2.60 0.00 -1.25 -4.97 105.19 108.76 2qr2 n GLY 139 Ca 0.10 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 3.60 0.19 1.61 1.02 -1.15 -4.90 119.74 120.10 2qr2 s LYS 140 Ca 0.00 0.75 0.07 0.00 0.02 0.00 0.00 55.97 56.81 2qr2 s LYS 140 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2qr2 s LYS 140 CO 0.00 -0.57 0.06 -0.51 -0.92 0.00 0.00 175.35 173.41 2qr2 s LEU 141 N -5.17 3.49 -0.01 3.17 1.43 -0.42 -0.87 118.68 120.30 2qr2 s LEU 141 Ca 0.55 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2qr2 s LEU 141 Cb -0.11 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2qr2 s LEU 141 CO 0.54 0.06 0.03 0.00 0.23 0.00 0.00 176.35 177.21 2qr2 s ALA 142 N -1.83 -0.07 -0.04 4.21 0.00 0.23 -1.77 121.76 122.49 2qr2 s ALA 142 Ca 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 2qr2 s ALA 142 Cb -0.09 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2qr2 s ALA 142 CO 0.21 -0.03 0.09 -1.17 0.00 0.00 0.00 175.76 174.85 2qr2 s LEU 143 N -0.12 1.30 -0.29 0.00 0.20 -0.45 -1.02 118.68 118.30 2qr2 s LEU 143 Ca -0.01 0.17 -0.08 0.00 0.69 0.00 0.00 54.13 54.90 2qr2 s LEU 143 Cb -0.01 0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.97 2qr2 s LEU 143 CO -0.00 -0.08 0.11 -0.76 -0.29 0.00 0.00 176.35 175.33 2qr2 s LEU 144 N 0.56 3.86 -0.54 -0.68 1.43 -1.26 -1.12 118.68 120.93 2qr2 s LEU 144 Ca -0.04 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2qr2 s LEU 144 Cb -0.06 -1.94 0.14 0.00 0.03 0.00 0.00 46.19 44.35 2qr2 s LEU 144 CO -0.02 -0.16 0.45 -0.55 0.23 0.00 0.00 176.35 176.30 2qr2 s SER 145 N 1.57 5.97 -0.15 2.29 0.15 0.11 -0.33 113.70 123.32 2qr2 s SER 145 Ca 0.04 -1.99 -0.03 0.00 0.70 0.00 0.00 55.95 54.68 2qr2 s SER 145 Cb -0.17 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2qr2 s SER 145 CO 0.04 -0.73 -0.05 -0.69 1.20 0.00 0.00 173.24 173.01 2qr2 s VAL 146 N 1.27 3.73 0.02 4.45 1.01 0.10 -1.79 120.40 129.20 2qr2 s VAL 146 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2qr2 s VAL 146 Cb -0.26 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2qr2 s VAL 146 CO -0.00 0.50 0.13 0.42 0.00 0.00 0.00 175.10 176.15 2qr2 s THR 147 N 0.38 5.00 0.25 3.92 -4.23 -0.95 -0.49 115.64 119.53 2qr2 s THR 147 Ca -0.05 -0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.11 2qr2 s THR 147 Cb -0.15 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 2qr2 s THR 147 CO 0.03 0.26 -0.08 0.42 -0.54 0.00 0.00 174.62 174.71 2qr2 s THR 148 N -1.33 1.60 -0.08 3.99 -4.23 -1.07 -0.80 115.64 113.73 2qr2 s THR 148 Ca 0.28 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 2qr2 s THR 148 Cb -0.12 -2.31 -0.24 0.00 1.34 0.00 0.00 72.50 71.16 2qr2 s THR 148 CO 0.20 -0.40 0.51 0.61 -0.54 0.00 0.00 174.62 175.00 2qr2 n GLY 149 N -0.50 -0.79 3.89 3.99 0.00 -1.26 -1.61 105.19 108.91 2qr2 n GLY 149 Ca -0.06 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.34 1.60 0.87 -0.02 0.00 -1.26 -4.49 107.32 98.68 2qr2 s GLY 150 Ca -0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.08 2qr2 s GLY 150 CO 0.80 -0.12 1.21 -0.51 0.00 0.00 0.00 173.10 174.47 2qr2 s THR 151 N -3.10 2.05 0.14 0.90 -4.23 -1.26 -2.39 115.64 107.76 2qr2 s THR 151 Ca 0.54 -0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.72 2qr2 s THR 151 Cb -0.11 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2qr2 s THR 151 CO 0.49 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.22 2qr2 h ALA 152 N -1.24 0.60 -0.95 3.99 0.00 -1.96 -2.75 119.26 116.95 2qr2 h ALA 152 Ca -0.42 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.34 2qr2 h ALA 152 Cb 1.25 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2qr2 h ALA 152 CO 0.41 0.28 0.62 0.93 0.00 0.00 0.00 179.25 181.49 2qr2 h GLU 153 N 0.61 1.15 0.00 0.00 4.39 -1.99 -0.76 114.58 117.97 2qr2 h GLU 153 Ca 0.14 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2qr2 h GLU 153 Cb 0.31 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2qr2 h GLU 153 CO -0.00 0.76 -0.02 0.52 -1.16 0.00 0.00 179.01 179.11 2qr2 h MET 154 N 1.18 0.00 -1.17 2.33 2.86 -1.87 -2.84 114.93 115.43 2qr2 h MET 154 Ca 0.38 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.34 2qr2 h MET 154 Cb 0.03 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.39 2qr2 h MET 154 CO -0.12 0.02 0.74 0.66 1.06 0.00 0.00 176.91 179.27 2qr2 n TYR 155 N -4.12 3.16 -3.99 -0.22 4.01 -0.29 -1.07 117.16 114.63 2qr2 n TYR 155 Ca -0.03 -2.84 -0.23 0.00 -0.16 0.00 0.00 57.90 54.64 2qr2 n TYR 155 Cb 0.10 -1.29 -0.06 0.00 -0.31 0.00 0.00 39.34 37.78 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 -4.87 2.73 0.20 -0.72 -4.23 -1.07 -1.85 115.64 105.82 2qr2 s THR 156 Ca 0.61 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 2qr2 s THR 156 Cb 0.49 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 71.47 2qr2 s THR 156 CO -0.08 -0.08 1.70 0.11 -0.54 0.00 0.00 174.62 175.72 2qr2 h LYS 157 N 1.39 0.20 -0.13 3.99 1.57 -1.90 0.14 116.57 121.82 2qr2 h LYS 157 Ca -0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2qr2 h LYS 157 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2qr2 h LYS 157 CO 0.64 0.13 0.00 0.25 -0.57 0.00 0.00 179.45 179.90 2qr2 n THR 158 N -5.16 0.17 -2.00 -0.16 -2.24 -1.26 -4.46 114.28 99.17 2qr2 n THR 158 Ca 0.07 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 2qr2 n THR 158 Cb 0.29 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.60 1.99 0.45 3.38 0.00 0.40 -4.94 107.32 106.99 2qr2 s GLY 159 Ca 0.32 0.26 0.14 0.00 0.00 0.00 0.00 44.72 45.45 2qr2 s GLY 159 CO 0.26 0.57 2.02 -0.24 0.00 0.00 0.00 173.10 175.71 2qr2 h VAL 160 N 0.24 0.93 -0.02 1.40 3.04 -1.81 -0.77 116.25 119.26 2qr2 h VAL 160 Ca -0.46 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2qr2 h VAL 160 Cb 1.21 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2qr2 h VAL 160 CO 0.58 0.06 -0.22 0.59 -1.01 0.00 0.00 177.57 177.57 2qr2 n ASN 161 N -4.47 1.95 -0.41 3.17 5.03 -0.23 -5.08 115.26 115.22 2qr2 n ASN 161 Ca 0.07 -1.49 0.05 0.00 0.87 0.00 0.00 54.58 54.08 2qr2 n ASN 161 Cb 0.30 0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 39.23 2qr2 n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qr2 n GLY 162 N 1.34 -2.14 3.69 7.41 0.00 -0.30 -4.84 105.19 110.35 2qr2 n GLY 162 Ca 0.13 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.01 2.98 -0.07 1.61 2.03 -0.70 -3.08 116.55 116.30 2qr2 n ASP 163 Ca -0.01 1.14 0.13 0.00 0.52 0.00 0.00 54.79 56.57 2qr2 n ASP 163 Cb 0.19 -1.46 0.52 0.00 -0.72 0.00 0.00 41.12 39.65 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 4.34 0.33 0.34 1.67 4.64 -1.68 -1.29 113.55 121.90 2qr2 h SER 164 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2qr2 h SER 164 Cb 1.27 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2qr2 h SER 164 CO 0.77 0.20 0.00 0.03 -0.87 0.00 0.00 176.83 176.95 2qr2 h ARG 165 N 0.37 0.00 0.02 4.77 3.08 -1.88 -3.06 114.38 117.67 2qr2 h ARG 165 Ca 0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 2qr2 h ARG 165 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2qr2 h ARG 165 CO -0.07 0.00 -0.01 1.88 -1.07 0.00 0.00 179.97 180.70 2qr2 h TYR 166 N 0.00 -0.02 0.00 3.04 0.05 -1.37 -2.84 116.97 115.82 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 0.17 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2qr2 h TYR 166 CO 0.00 0.16 0.00 1.97 -1.05 0.00 0.00 178.16 179.24 2qr2 n PHE 167 N -5.02 0.00 0.24 4.88 1.16 -1.16 -2.75 117.46 114.82 2qr2 n PHE 167 Ca -0.08 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.62 2qr2 n PHE 167 Cb 0.12 -0.42 0.18 0.00 -1.61 0.00 0.00 39.48 37.74 2qr2 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2qr2 h LEU 168 N 0.00 0.00 -0.17 5.98 3.38 -1.55 -3.37 115.31 119.58 2qr2 h LEU 168 Ca 0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qr2 h LEU 168 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2qr2 h LEU 168 CO 0.00 0.00 -0.41 -0.25 0.09 0.00 0.00 178.44 177.87 2qr2 h TRP 169 N 0.00 -1.17 -0.31 1.13 2.91 -1.51 0.29 115.95 117.30 2qr2 h TRP 169 Ca 0.00 0.05 0.05 0.00 1.13 0.00 0.00 58.89 60.12 2qr2 h TRP 169 Cb 0.98 0.54 -0.04 0.00 -0.51 0.00 0.00 29.16 30.12 2qr2 h TRP 169 CO 0.00 -0.46 0.03 -1.35 -1.03 0.00 0.00 178.44 175.63 2qr2 h PRO 170 N -0.46 0.12 0.62 2.65 0.11 -1.82 0.93 132.00 134.16 2qr2 h PRO 170 Ca 0.09 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2qr2 h PRO 170 Cb 0.61 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.70 2qr2 h PRO 170 CO -0.42 0.08 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.09 2qr2 h LEU 171 N 0.13 -0.70 0.08 2.35 3.38 -1.71 0.52 115.31 119.36 2qr2 h LEU 171 Ca 0.15 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qr2 h LEU 171 Cb 0.18 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qr2 h LEU 171 CO -0.22 -0.37 -0.04 1.56 0.09 0.00 0.00 178.44 179.46 2qr2 h GLN 172 N -1.09 -0.10 0.00 1.13 4.20 -0.47 -0.62 115.11 118.16 2qr2 h GLN 172 Ca -0.08 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2qr2 h GLN 172 Cb 0.63 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2qr2 h GLN 172 CO 0.14 0.20 -0.60 1.25 -0.67 0.00 0.00 178.83 179.15 2qr2 h HIS 173 N -0.40 0.00 -0.09 2.96 2.76 -0.98 0.14 115.15 119.53 2qr2 h HIS 173 Ca -0.01 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2qr2 h HIS 173 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2qr2 h HIS 173 CO 0.03 0.89 -0.32 0.78 -1.30 0.00 0.00 177.93 178.01 2qr2 h GLY 174 N -1.00 0.18 0.00 5.26 0.00 -0.54 -2.86 103.07 104.11 2qr2 h GLY 174 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qr2 h GLY 174 CO -0.09 0.13 0.00 2.41 0.00 0.00 0.00 176.54 179.00 2qr2 n THR 175 N -4.12 0.00 0.26 4.70 -1.04 0.10 -4.48 114.28 109.70 2qr2 n THR 175 Ca -0.01 0.39 -0.14 0.00 -2.04 0.00 0.00 64.05 62.25 2qr2 n THR 175 Cb 0.40 -1.39 -0.07 0.00 -1.82 0.00 0.00 70.33 67.45 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 0.00 -0.96 -1.43 -4.42 3.38 -1.18 -2.29 115.31 108.41 2qr2 h LEU 176 Ca 0.00 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qr2 h LEU 176 Cb 0.00 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2qr2 h LEU 176 CO 0.00 -0.51 0.41 -0.74 0.09 0.00 0.00 178.44 177.69 2qr2 h HIS 177 N -0.79 0.73 -0.25 1.13 2.76 -1.07 -1.05 115.15 116.59 2qr2 h HIS 177 Ca -0.06 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2qr2 h HIS 177 Cb 0.66 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2qr2 h HIS 177 CO -0.14 0.44 0.17 0.35 -1.30 0.00 0.00 177.93 177.45 2qr2 h PHE 178 N 0.76 0.24 -0.06 5.26 3.57 -1.28 -0.27 116.94 125.16 2qr2 h PHE 178 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2qr2 h PHE 178 Cb 0.02 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2qr2 h PHE 178 CO -0.00 0.14 0.00 0.00 -2.23 0.00 0.00 178.31 176.22 2qr2 n GLY 180 N 1.13 0.41 3.66 0.00 0.00 -0.12 -0.42 105.19 109.86 2qr2 n GLY 180 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2qr2 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qr2 n PHE 181 N -1.94 1.06 -3.71 1.61 3.72 -0.95 -3.68 117.46 113.57 2qr2 n PHE 181 Ca 0.00 0.40 -0.37 0.00 -0.05 0.00 0.00 57.45 57.43 2qr2 n PHE 181 Cb 0.00 -2.12 -0.12 0.00 -0.94 0.00 0.00 39.48 36.30 2qr2 n PHE 181 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2qr2 s LYS 182 N -3.64 3.63 -0.22 -1.08 1.02 -0.05 -4.32 119.74 115.08 2qr2 s LYS 182 Ca 0.75 -0.51 -0.23 0.00 0.02 0.00 0.00 55.97 56.00 2qr2 s LYS 182 Cb -0.33 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.55 2qr2 s LYS 182 CO 0.49 -0.23 0.75 0.08 -0.92 0.00 0.00 175.35 175.51 2qr2 s VAL 183 N 1.63 4.92 0.36 3.17 1.01 -1.26 -0.60 120.40 129.63 2qr2 s VAL 183 Ca 0.06 1.41 -0.07 0.00 0.00 0.00 0.00 61.98 63.39 2qr2 s VAL 183 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2qr2 s VAL 183 CO 0.05 0.01 0.67 -0.76 0.00 0.00 0.00 175.10 175.07 2qr2 s LEU 184 N 2.40 3.91 0.08 3.92 1.43 -0.19 -0.34 118.68 129.90 2qr2 s LEU 184 Ca 0.33 0.89 -0.37 0.00 -1.03 0.00 0.00 54.13 53.95 2qr2 s LEU 184 Cb -0.16 -3.75 -0.16 0.00 0.03 0.00 0.00 46.19 42.15 2qr2 s LEU 184 CO 0.09 -0.33 1.37 0.00 0.23 0.00 0.00 176.35 177.72 2qr2 n ALA 185 N -1.28 -0.74 -1.21 4.21 0.00 -1.26 -4.67 120.51 115.55 2qr2 n ALA 185 Ca 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 2qr2 n ALA 185 Cb 0.54 -2.11 0.10 0.00 0.00 0.00 0.00 19.45 17.99 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 0.61 2.00 -0.35 0.00 0.04 -1.26 -4.75 135.00 131.29 2qr2 s PRO 186 Ca 0.84 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2qr2 s PRO 186 Cb -0.93 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 31.83 2qr2 s PRO 186 CO 0.46 -1.90 0.12 -1.14 0.04 0.00 0.00 177.00 174.59 2qr2 s GLN 187 N -4.28 2.46 -0.32 4.56 2.00 0.56 -4.98 119.66 119.65 2qr2 s GLN 187 Ca 0.69 -1.36 -0.05 0.00 -2.00 0.00 0.00 55.36 52.65 2qr2 s GLN 187 Cb -0.24 -3.46 0.04 0.00 0.80 0.00 0.00 33.01 30.15 2qr2 s GLN 187 CO 0.49 -0.77 0.06 0.42 -0.50 0.00 0.00 175.29 175.00 2qr2 s ILE 188 N 1.32 3.47 -0.95 -2.34 1.01 -1.26 0.03 121.20 122.49 2qr2 s ILE 188 Ca -0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 2qr2 s ILE 188 Cb -0.21 -2.98 0.19 0.00 0.01 0.00 0.00 42.46 39.47 2qr2 s ILE 188 CO 0.00 -0.15 1.03 -0.44 0.00 0.00 0.00 174.94 175.38 2qr2 s SER 189 N 1.35 6.82 0.27 3.58 0.01 0.36 -5.00 113.70 121.09 2qr2 s SER 189 Ca -0.03 -2.59 -0.31 0.00 1.31 0.00 0.00 55.95 54.33 2qr2 s SER 189 Cb -0.20 -2.31 -0.12 0.00 0.21 0.00 0.00 66.02 63.61 2qr2 s SER 189 CO 0.01 -0.75 1.64 -0.36 0.41 0.00 0.00 173.24 174.19 2qr2 s PHE 190 N 1.13 2.78 -0.61 2.43 0.08 -1.26 -2.59 117.98 119.94 2qr2 s PHE 190 Ca 0.28 0.65 -0.18 0.00 0.12 0.00 0.00 56.93 57.80 2qr2 s PHE 190 Cb -0.07 -4.10 0.02 0.00 -0.57 0.00 0.00 43.02 38.30 2qr2 s PHE 190 CO -0.08 -3.83 0.34 0.00 -0.10 0.00 0.00 175.22 171.55 2qr2 n ALA 191 N 2.68 -1.82 -0.33 5.36 0.00 -0.64 -4.83 120.51 120.93 2qr2 n ALA 191 Ca 0.10 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.29 2qr2 n ALA 191 Cb 0.37 -1.26 0.24 0.00 0.00 0.00 0.00 19.45 18.79 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 0.20 0.99 0.00 0.00 0.13 -1.72 -0.69 132.00 130.90 2qr2 h PRO 192 Ca -0.36 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2qr2 h PRO 192 Cb 0.71 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2qr2 h PRO 192 CO 0.26 0.66 -0.05 0.93 -0.23 0.00 0.00 178.00 179.56 2qr2 h GLU 193 N 1.02 0.00 0.07 0.86 5.08 -1.89 -2.06 114.58 117.66 2qr2 h GLU 193 Ca 0.43 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.48 2qr2 h GLU 193 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2qr2 h GLU 193 CO -0.18 0.05 -1.70 0.82 -1.00 0.00 0.00 179.01 177.00 2qr2 h ILE 194 N 0.00 0.92 -4.19 3.13 2.04 -1.51 -3.48 117.51 114.42 2qr2 h ILE 194 Ca -0.00 -2.67 -0.53 0.00 1.00 0.00 0.00 64.86 62.66 2qr2 h ILE 194 Cb 0.12 2.56 0.16 0.00 -0.74 0.00 0.00 36.82 38.92 2qr2 h ILE 194 CO 0.01 0.72 0.37 0.00 0.00 0.00 0.00 178.15 179.24 2qr2 s ALA 195 N -2.60 2.03 0.55 1.87 0.00 -0.59 -5.02 121.76 117.99 2qr2 s ALA 195 Ca -0.10 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.59 2qr2 s ALA 195 Cb 0.07 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2qr2 s ALA 195 CO 0.82 -2.01 0.92 -1.54 0.00 0.00 0.00 175.76 173.95 2qr2 s SER 196 N -2.16 6.29 0.31 0.00 1.04 -1.26 -4.80 113.70 113.12 2qr2 s SER 196 Ca 0.73 1.24 0.07 0.00 0.48 0.00 0.00 55.95 58.47 2qr2 s SER 196 Cb -0.28 -2.39 0.87 0.00 0.10 0.00 0.00 66.02 64.33 2qr2 s SER 196 CO 0.48 -0.72 1.64 -0.08 0.98 0.00 0.00 173.24 175.54 2qr2 h GLU 197 N 0.07 0.20 -0.09 4.02 4.57 -1.95 0.18 114.58 121.57 2qr2 h GLU 197 Ca -0.45 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.70 2qr2 h GLU 197 Cb 1.19 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2qr2 h GLU 197 CO 0.62 0.13 -0.02 0.93 -1.18 0.00 0.00 179.01 179.49 2qr2 h GLU 198 N 0.20 0.17 -0.99 1.92 3.07 -1.99 -0.84 114.58 116.13 2qr2 h GLU 198 Ca 0.63 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 59.46 2qr2 h GLU 198 Cb 1.37 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.21 2qr2 h GLU 198 CO -0.68 0.48 0.65 0.93 -1.40 0.00 0.00 179.01 178.98 2qr2 h GLU 199 N -0.15 1.23 0.02 2.33 5.08 -1.17 0.26 114.58 122.17 2qr2 h GLU 199 Ca 0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qr2 h GLU 199 Cb 0.41 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qr2 h GLU 199 CO 0.01 0.81 -0.01 0.00 -1.00 0.00 0.00 179.01 178.82 2qr2 h ARG 200 N 1.27 -0.02 -0.52 2.33 3.08 -0.62 -0.51 114.38 119.38 2qr2 h ARG 200 Ca 0.39 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.49 2qr2 h ARG 200 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2qr2 h ARG 200 CO -0.11 0.07 0.35 0.87 -1.07 0.00 0.00 179.97 180.07 2qr2 h LYS 201 N -0.10 0.50 -0.53 0.04 1.57 -0.46 0.65 116.57 118.24 2qr2 h LYS 201 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2qr2 h LYS 201 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2qr2 h LYS 201 CO 0.00 0.33 -0.11 0.78 -0.57 0.00 0.00 179.45 179.89 2qr2 h GLY 202 N 0.51 1.07 1.03 3.86 0.00 -0.26 0.57 103.07 109.85 2qr2 h GLY 202 Ca 0.22 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 2qr2 h GLY 202 CO -0.06 0.78 -0.07 -0.33 0.00 0.00 0.00 176.54 176.86 2qr2 h MET 203 N 0.88 0.89 -0.34 4.80 2.86 0.66 0.76 114.93 125.45 2qr2 h MET 203 Ca 0.14 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 2qr2 h MET 203 Cb 0.66 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2qr2 h MET 203 CO 0.05 0.96 0.02 0.28 1.06 0.00 0.00 176.91 179.28 2qr2 h VAL 204 N 0.74 1.25 -0.37 -2.22 2.07 -0.89 -2.54 116.25 114.29 2qr2 h VAL 204 Ca 0.13 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2qr2 h VAL 204 Cb 0.61 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2qr2 h VAL 204 CO 0.04 0.30 0.21 0.00 0.02 0.00 0.00 177.57 178.15 2qr2 h ALA 205 N 0.87 0.47 -0.79 1.67 0.00 -0.76 -2.28 119.26 118.44 2qr2 h ALA 205 Ca 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2qr2 h ALA 205 Cb 0.42 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2qr2 h ALA 205 CO 0.01 -0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.76 2qr2 h ALA 206 N 1.08 1.86 0.41 0.00 0.00 -0.72 0.13 119.26 122.02 2qr2 h ALA 206 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qr2 h ALA 206 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qr2 h ALA 206 CO -0.02 -0.04 -0.20 2.35 0.00 0.00 0.00 179.25 181.34 2qr2 h TRP 207 N 0.64 -0.51 -0.31 0.00 -0.00 -1.00 -1.22 115.95 113.54 2qr2 h TRP 207 Ca 0.38 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.31 2qr2 h TRP 207 Cb 0.58 0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.86 2qr2 h TRP 207 CO -0.00 -0.19 0.00 0.77 -0.00 0.00 0.00 178.44 179.02 2qr2 h SER 208 N -0.86 -0.12 -0.33 2.65 0.02 -0.86 -1.17 113.55 112.88 2qr2 h SER 208 Ca -0.06 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2qr2 h SER 208 Cb 0.55 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2qr2 h SER 208 CO 0.09 -0.02 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.10 2qr2 h GLN 209 N 0.09 0.03 -0.89 3.45 4.15 -0.77 -1.79 115.11 119.38 2qr2 h GLN 209 Ca 0.15 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 2qr2 h GLN 209 Cb 0.20 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2qr2 h GLN 209 CO -0.25 0.02 0.54 -0.09 -1.93 0.00 0.00 178.83 177.12 2qr2 h ARG 210 N 0.03 1.22 0.00 1.69 2.43 -0.68 -2.54 114.38 116.53 2qr2 h ARG 210 Ca 0.16 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2qr2 h ARG 210 Cb 0.23 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2qr2 h ARG 210 CO -0.31 0.86 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.89 2qr2 h LEU 211 N 1.23 0.00 -1.69 3.80 3.38 -0.37 -2.29 115.31 119.37 2qr2 h LEU 211 Ca 0.32 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.36 2qr2 h LEU 211 Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2qr2 h LEU 211 CO -0.06 0.04 0.33 1.56 0.09 0.00 0.00 178.44 180.40 2qr2 h GLN 212 N 0.00 0.37 -0.09 1.13 4.20 -1.00 -2.14 115.11 117.58 2qr2 h GLN 212 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2qr2 h GLN 212 Cb 0.09 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2qr2 h GLN 212 CO 0.01 0.24 -0.10 0.25 -0.67 0.00 0.00 178.83 178.56 2qr2 n THR 213 N -4.47 2.10 0.12 -0.54 -2.24 -0.90 -4.76 114.28 103.59 2qr2 n THR 213 Ca 0.07 -2.43 0.08 0.00 -2.27 0.00 0.00 64.05 59.50 2qr2 n THR 213 Cb 0.28 -0.25 0.55 0.00 -2.10 0.00 0.00 70.33 68.81 2qr2 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qr2 h ILE 214 N 0.66 1.01 -0.00 2.28 6.09 -0.97 -1.69 117.51 124.88 2qr2 h ILE 214 Ca 0.02 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2qr2 h ILE 214 Cb 1.16 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.21 2qr2 h ILE 214 CO 0.09 0.04 -0.00 0.79 -3.07 0.00 0.00 178.15 176.00 2qr2 n TRP 215 N -4.50 0.00 0.79 2.19 7.02 -1.26 -3.05 117.44 118.64 2qr2 n TRP 215 Ca 0.01 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.58 2qr2 n TRP 215 Cb 0.14 -0.16 -0.03 0.00 -2.42 0.00 0.00 31.31 28.84 2qr2 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qr2 n LYS 216 N -1.15 1.52 -2.17 -0.99 5.02 -0.64 -5.00 118.16 114.75 2qr2 n LYS 216 Ca 0.18 -0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 55.52 2qr2 n LYS 216 Cb 0.19 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2qr2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qr2 s GLU 217 N -2.20 3.41 0.01 1.97 2.02 -1.17 -5.07 118.70 117.67 2qr2 s GLU 217 Ca 0.12 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.42 2qr2 s GLU 217 Cb 0.14 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 2qr2 s GLU 217 CO 0.52 -0.75 0.03 -1.21 0.02 0.00 0.00 175.26 173.87 2qr2 s GLU 218 N -3.80 2.86 0.54 1.61 0.41 -1.26 -5.10 118.70 113.95 2qr2 s GLU 218 Ca 0.65 -0.60 -0.20 0.00 -0.41 0.00 0.00 54.97 54.42 2qr2 s GLU 218 Cb -0.17 -2.72 -0.06 0.00 -1.78 0.00 0.00 34.13 29.40 2qr2 s GLU 218 CO 0.32 0.62 1.14 -1.25 -0.49 0.00 0.00 175.26 175.60 2qr2 s PRO 219 N -1.72 3.37 0.62 0.39 0.04 -1.26 -4.68 135.00 131.76 2qr2 s PRO 219 Ca 0.22 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 2qr2 s PRO 219 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2qr2 s PRO 219 CO 0.13 -0.84 1.07 0.96 0.04 0.00 0.00 177.00 178.35 2qr2 s ILE 220 N -1.73 3.70 -0.97 0.56 -4.36 0.54 -4.92 121.20 114.02 2qr2 s ILE 220 Ca 0.72 0.76 -0.24 0.00 -0.26 0.00 0.00 60.65 61.64 2qr2 s ILE 220 Cb -0.25 -3.31 0.02 0.00 1.25 0.00 0.00 42.46 40.17 2qr2 s ILE 220 CO 0.28 -0.52 1.61 -2.84 0.24 0.00 0.00 174.94 173.72 2qr2 s PRO 221 N -4.22 3.22 -0.92 0.37 0.02 -1.26 -4.72 135.00 127.49 2qr2 s PRO 221 Ca 0.64 -0.79 -0.23 0.00 0.02 0.00 0.00 61.00 60.63 2qr2 s PRO 221 Cb -0.17 -5.21 -0.15 0.00 0.02 0.00 0.00 34.50 29.00 2qr2 s PRO 221 CO 0.41 -2.60 1.91 0.00 -0.33 0.00 0.00 177.00 176.39 2qr2 s THR 223 N 8.56 1.65 0.30 0.00 -4.23 -1.26 -4.98 115.64 115.68 2qr2 s THR 223 Ca 0.65 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 2qr2 s THR 223 Cb 0.07 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 71.10 2qr2 s THR 223 CO 0.15 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.98 2qr2 h ALA 224 N 1.87 1.17 -0.54 3.99 0.00 -2.00 -2.90 119.26 120.84 2qr2 h ALA 224 Ca -0.43 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2qr2 h ALA 224 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2qr2 h ALA 224 CO 0.76 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.87 2qr2 h HIS 225 N 0.35 0.92 -0.59 0.00 -0.00 -1.95 0.50 115.15 114.37 2qr2 h HIS 225 Ca 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.26 2qr2 h HIS 225 Cb 0.65 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 2qr2 h HIS 225 CO 0.02 0.80 0.16 2.35 -0.00 0.00 0.00 177.93 181.26 2qr2 h TRP 226 N 0.82 0.97 0.07 5.26 7.01 -1.74 0.51 115.95 128.86 2qr2 h TRP 226 Ca 0.17 -0.11 -0.28 0.00 2.11 0.00 0.00 58.89 60.78 2qr2 h TRP 226 Cb 0.39 -0.28 0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2qr2 h TRP 226 CO 0.02 0.82 -1.15 0.45 -2.79 0.00 0.00 178.44 175.79 2qr2 h HIS 227 N 0.85 0.92 0.00 2.65 3.86 -1.41 -3.39 115.15 118.63 2qr2 h HIS 227 Ca 0.19 -0.55 -0.04 0.00 -1.16 0.00 0.00 60.37 58.80 2qr2 h HIS 227 Cb 0.32 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2qr2 h HIS 227 CO 0.02 1.39 -1.61 1.19 0.86 0.00 0.00 177.93 179.78 2qr2 n PHE 228 N -3.78 0.00 -3.40 2.45 3.72 0.14 -4.07 117.46 112.53 2qr2 n PHE 228 Ca -0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.10 2qr2 n PHE 228 Cb 0.94 -0.34 0.04 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.89 -1.13 0.00 1.37 0.00 0.18 -5.02 105.19 102.48 2qr2 n GLY 229 Ca -0.06 0.52 0.14 0.00 0.00 0.00 0.00 46.02 46.62 2qr2 n GLY 229 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26