#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qh1 s GLN 2 N 0.00 0.48 0.03 4.33 -1.52 -1.26 -5.00 119.66 116.72 1qh1 s GLN 2 Ca 0.00 -0.55 -0.00 0.00 -1.95 0.00 0.00 55.36 52.86 1qh1 s GLN 2 Cb 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 33.01 32.43 1qh1 s GLN 2 CO 0.00 0.07 0.14 0.95 -0.25 0.00 0.00 175.29 176.20 1qh1 s THR 3 N -0.93 5.05 0.23 -0.19 -4.23 -1.26 -5.03 115.64 109.28 1qh1 s THR 3 Ca -0.06 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1qh1 s THR 3 Cb -0.07 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1qh1 s THR 3 CO 0.00 0.24 1.59 -0.29 -0.54 0.00 0.00 174.62 175.62 1qh1 h ILE 4 N 2.66 1.32 0.00 2.99 6.09 -2.01 -2.73 117.51 125.83 1qh1 h ILE 4 Ca -0.47 -1.65 0.00 0.00 -1.37 0.00 0.00 64.86 61.36 1qh1 h ILE 4 Cb 1.17 1.67 0.00 0.00 0.47 0.00 0.00 36.82 40.13 1qh1 h ILE 4 CO 0.69 0.51 0.00 0.44 -3.07 0.00 0.00 178.15 176.72 1qh1 h ASP 5 N 0.38 0.00 -1.87 2.19 3.32 -2.08 -3.39 116.42 114.96 1qh1 h ASP 5 Ca 0.02 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.71 1qh1 h ASP 5 Cb 0.95 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.20 1qh1 h ASP 5 CO 0.08 0.00 -0.69 -1.59 -1.72 0.00 0.00 179.24 175.32 1qh1 s LYS 6 N -3.18 0.71 -0.05 3.56 0.00 -1.03 -5.12 119.74 114.63 1qh1 s LYS 6 Ca 0.08 -0.99 -0.28 0.00 0.00 0.00 0.00 55.97 54.78 1qh1 s LYS 6 Cb 0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 37.83 37.20 1qh1 s LYS 6 CO 0.55 -1.23 0.92 0.42 0.00 0.00 0.00 175.35 176.02 1qh1 s ILE 7 N 1.25 4.88 -0.18 3.79 1.01 -1.22 -4.33 121.20 126.40 1qh1 s ILE 7 Ca 0.19 1.91 -0.08 0.00 0.00 0.00 0.00 60.65 62.67 1qh1 s ILE 7 Cb -0.12 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1qh1 s ILE 7 CO -0.04 0.13 0.09 0.20 0.00 0.00 0.00 174.94 175.32 1qh1 s ASN 8 N 1.00 5.87 0.99 3.58 0.01 -1.26 -5.09 114.94 120.04 1qh1 s ASN 8 Ca 0.47 0.16 -0.12 0.00 -0.71 0.00 0.00 52.86 52.66 1qh1 s ASN 8 Cb -0.19 -2.00 0.18 0.00 0.41 0.00 0.00 41.25 39.65 1qh1 s ASN 8 CO 0.23 0.20 1.10 -0.44 -1.51 0.00 0.00 177.10 176.67 1qh1 s SER 9 N 0.25 2.70 0.01 -1.22 0.01 -1.26 -4.55 113.70 109.64 1qh1 s SER 9 Ca 0.06 1.18 -0.01 0.00 1.31 0.00 0.00 55.95 58.48 1qh1 s SER 9 Cb -0.12 -1.84 -0.00 0.00 0.21 0.00 0.00 66.02 64.27 1qh1 s SER 9 CO -0.00 -3.08 0.24 0.00 0.41 0.00 0.00 173.24 170.81 1qh1 s TYR 11 N -3.32 3.29 -0.30 0.00 5.04 -1.26 -1.60 117.35 119.19 1qh1 s TYR 11 Ca -0.00 0.44 0.10 0.00 -2.44 0.00 0.00 57.07 55.17 1qh1 s TYR 11 Cb 0.00 -2.52 0.61 0.00 0.35 0.00 0.00 41.96 40.40 1qh1 s TYR 11 CO 0.02 -0.13 1.63 -0.35 -1.34 0.00 0.00 175.55 175.38 1qh1 n PRO 12 N 4.96 2.65 -0.11 4.97 -0.04 -0.99 -5.00 135.00 141.43 1qh1 n PRO 12 Ca -0.09 -3.06 -0.05 0.00 -0.04 0.00 0.00 63.50 60.26 1qh1 n PRO 12 Cb 0.51 -1.99 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1qh1 n PRO 12 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1qh1 h LEU 13 N 1.62 -0.37 0.00 1.53 5.85 -0.15 -1.67 115.31 122.12 1qh1 h LEU 13 Ca 0.26 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1qh1 h LEU 13 Cb 2.01 0.24 0.00 0.00 0.37 0.00 0.00 40.66 43.28 1qh1 h LEU 13 CO 0.57 -0.13 0.00 0.49 -0.34 0.00 0.00 178.44 179.03 1qh1 n PHE 14 N -5.30 0.00 0.70 1.25 3.72 -0.63 -1.58 117.46 115.62 1qh1 n PHE 14 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1qh1 n PHE 14 Cb 0.21 -0.22 0.47 0.00 -0.94 0.00 0.00 39.48 39.00 1qh1 n PHE 14 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1qh1 n GLU 15 N -1.22 0.17 -1.82 -1.08 -0.58 -0.63 -4.18 120.64 111.31 1qh1 n GLU 15 Ca 0.11 0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.68 1qh1 n GLU 15 Cb 0.14 -1.71 0.05 0.00 -0.57 0.00 0.00 31.44 29.34 1qh1 n GLU 15 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1qh1 s GLN 16 N -3.09 2.77 0.24 3.49 -0.21 -0.62 -4.73 119.66 117.52 1qh1 s GLN 16 Ca 0.11 1.60 -0.06 0.00 0.02 0.00 0.00 55.36 57.03 1qh1 s GLN 16 Cb 0.14 -1.93 0.42 0.00 1.00 0.00 0.00 33.01 32.64 1qh1 s GLN 16 CO 0.55 -1.31 1.71 -0.44 -2.12 0.00 0.00 175.29 173.68 1qh1 h ASP 17 N 0.32 0.15 -0.08 5.90 3.32 -1.90 -0.34 116.42 123.80 1qh1 h ASP 17 Ca -0.48 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1qh1 h ASP 17 Cb 1.27 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 1qh1 h ASP 17 CO 0.54 0.05 0.02 1.05 -1.72 0.00 0.00 179.24 179.18 1qh1 h GLU 18 N 0.36 0.18 0.00 3.56 9.09 -1.95 -1.06 114.58 124.76 1qh1 h GLU 18 Ca 0.39 -0.02 -0.21 0.00 0.05 0.00 0.00 59.36 59.57 1qh1 h GLU 18 Cb 0.61 -0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.63 1qh1 h GLU 18 CO -0.43 0.18 -1.28 1.88 0.05 0.00 0.00 179.01 179.41 1qh1 h TYR 19 N 0.18 0.00 -0.48 2.06 0.05 -1.37 -2.20 116.97 115.21 1qh1 h TYR 19 Ca 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1qh1 h TYR 19 Cb 0.09 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1qh1 h TYR 19 CO 0.00 0.81 -0.01 1.96 -1.05 0.00 0.00 178.16 179.86 1qh1 h GLN 20 N 0.00 0.80 -0.32 4.88 1.08 -0.71 -1.45 115.11 119.39 1qh1 h GLN 20 Ca -0.15 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 56.77 1qh1 h GLN 20 Cb 1.74 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.07 1qh1 h GLN 20 CO 0.08 0.81 -0.04 1.49 -0.95 0.00 0.00 178.83 180.22 1qh1 h GLU 21 N 0.74 0.60 -0.60 1.46 4.57 -1.26 -1.77 114.58 118.32 1qh1 h GLU 21 Ca 0.14 -0.21 0.09 0.00 -1.18 0.00 0.00 59.36 58.20 1qh1 h GLU 21 Cb 0.47 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.95 1qh1 h GLU 21 CO 0.02 0.76 0.23 1.25 -1.18 0.00 0.00 179.01 180.09 1qh1 h LEU 22 N 0.38 0.23 -0.46 1.64 5.85 -1.08 -1.43 115.31 120.45 1qh1 h LEU 22 Ca 0.09 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1qh1 h LEU 22 Cb 0.52 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1qh1 h LEU 22 CO 0.03 0.14 0.02 -0.26 -0.34 0.00 0.00 178.44 178.02 1qh1 h PHE 23 N 0.41 0.87 -0.59 1.25 0.04 -1.06 -0.89 116.94 116.97 1qh1 h PHE 23 Ca 0.30 -0.14 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1qh1 h PHE 23 Cb 0.36 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 1qh1 h PHE 23 CO -0.16 0.83 0.28 0.00 -0.60 0.00 0.00 178.31 178.65 1qh1 h ARG 24 N 0.65 0.50 -0.68 1.51 3.08 -0.89 -1.42 114.38 117.13 1qh1 h ARG 24 Ca 0.13 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1qh1 h ARG 24 Cb 0.47 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1qh1 h ARG 24 CO 0.02 0.33 0.15 -0.91 -1.07 0.00 0.00 179.97 178.49 1qh1 h ASN 25 N 0.51 1.03 0.04 7.04 2.35 -0.99 -2.95 115.58 122.60 1qh1 h ASN 25 Ca 0.28 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1qh1 h ASN 25 Cb 0.25 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1qh1 h ASN 25 CO -0.22 0.99 -0.36 0.50 -1.65 0.00 0.00 177.43 176.69 1qh1 h LYS 26 N 1.03 0.44 0.00 0.81 3.64 -0.84 -2.93 116.57 118.72 1qh1 h LYS 26 Ca 0.21 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1qh1 h LYS 26 Cb 0.38 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1qh1 h LYS 26 CO 0.00 0.75 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.81 1qh1 h ARG 27 N 0.38 0.00 0.00 1.90 2.43 -1.09 -1.07 114.38 116.93 1qh1 h ARG 27 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1qh1 h ARG 27 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1qh1 h ARG 27 CO 0.07 0.04 0.00 1.04 -1.51 0.00 0.00 179.97 179.60 1qh1 n GLN 28 N -4.42 0.12 -0.15 0.20 6.02 -1.11 -2.33 117.38 115.72 1qh1 n GLN 28 Ca -0.03 0.40 0.08 0.00 -0.01 0.00 0.00 57.00 57.43 1qh1 n GLN 28 Cb 0.12 -1.74 0.15 0.00 1.02 0.00 0.00 30.24 29.79 1qh1 n GLN 28 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qh1 n LEU 29 N -1.97 2.90 -0.43 1.08 4.77 -0.41 -4.52 117.00 118.43 1qh1 n LEU 29 Ca 0.02 -1.60 0.09 0.00 -0.03 0.00 0.00 56.01 54.49 1qh1 n LEU 29 Cb 0.18 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1qh1 n LEU 29 CO 0.16 0.66 0.28 -0.62 -1.33 0.00 0.00 177.39 176.53 1qh1 n GLU 30 N 0.90 1.44 -4.01 3.23 1.02 -0.98 -4.99 120.64 117.26 1qh1 n GLU 30 Ca 0.13 -0.89 -0.28 0.00 -0.02 0.00 0.00 57.16 56.09 1qh1 n GLU 30 Cb 0.45 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1qh1 n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qh1 n GLU 31 N -0.09 -2.40 -1.83 3.49 1.02 -1.26 -4.86 120.64 114.71 1qh1 n GLU 31 Ca 0.08 0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 57.14 1qh1 n GLU 31 Cb 0.40 -4.16 0.01 0.00 -0.02 0.00 0.00 31.44 27.67 1qh1 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qh1 s ALA 32 N -3.97 3.30 0.67 0.62 0.00 -1.26 -4.96 121.76 116.17 1qh1 s ALA 32 Ca 0.08 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 1qh1 s ALA 32 Cb -0.04 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1qh1 s ALA 32 CO 0.91 -1.12 1.14 0.72 0.00 0.00 0.00 175.76 177.41 1qh1 n HIS 33 N -0.03 1.33 -1.78 0.00 8.25 -1.26 -4.94 115.22 116.78 1qh1 n HIS 33 Ca 0.04 0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 57.56 1qh1 n HIS 33 Cb 0.42 -2.18 0.06 0.00 1.12 0.00 0.00 29.99 29.41 1qh1 n HIS 33 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1qh1 s ASP 34 N -1.49 4.75 0.24 0.41 -4.77 -1.26 -4.83 116.67 109.72 1qh1 s ASP 34 Ca 0.78 2.46 -0.06 0.00 -3.30 0.00 0.00 52.55 52.43 1qh1 s ASP 34 Cb -0.37 -2.60 0.27 0.00 -1.09 0.00 0.00 42.92 39.13 1qh1 s ASP 34 CO 0.45 -1.90 1.89 0.00 0.70 0.00 0.00 175.17 176.31 1qh1 h ALA 35 N 0.48 1.19 -0.21 2.11 0.00 -2.00 -1.62 119.26 119.22 1qh1 h ALA 35 Ca -0.50 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1qh1 h ALA 35 Cb 1.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1qh1 h ALA 35 CO 0.53 0.48 -0.25 1.96 0.00 0.00 0.00 179.25 181.97 1qh1 h GLN 36 N 1.17 0.38 -0.51 0.00 7.50 -1.99 -1.54 115.11 120.12 1qh1 h GLN 36 Ca 0.36 -0.14 -0.13 0.00 0.50 0.00 0.00 58.65 59.24 1qh1 h GLN 36 Cb -0.03 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 1qh1 h GLN 36 CO -0.11 0.61 -0.18 -0.09 -1.50 0.00 0.00 178.83 177.56 1qh1 h ARG 37 N 0.34 1.01 -0.46 1.46 9.65 -1.69 -0.01 114.38 124.69 1qh1 h ARG 37 Ca 0.05 -0.41 -0.07 0.00 -1.10 0.00 0.00 59.98 58.45 1qh1 h ARG 37 Cb 0.62 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 1qh1 h ARG 37 CO 0.04 1.09 0.00 0.28 2.80 0.00 0.00 179.97 184.19 1qh1 h VAL 38 N 0.88 1.26 -0.56 0.20 2.07 -1.21 -1.13 116.25 117.76 1qh1 h VAL 38 Ca 0.12 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1qh1 h VAL 38 Cb 0.75 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1qh1 h VAL 38 CO 0.06 0.36 0.36 -0.61 0.02 0.00 0.00 177.57 177.76 1qh1 h GLN 39 N 0.65 0.71 -0.39 1.57 5.75 -1.08 0.33 115.11 122.65 1qh1 h GLN 39 Ca 0.13 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1qh1 h GLN 39 Cb 0.49 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 1qh1 h GLN 39 CO 0.02 0.47 0.18 0.93 -2.65 0.00 0.00 178.83 177.79 1qh1 h GLU 40 N 0.73 0.36 -0.41 1.69 5.08 -0.73 -0.27 114.58 121.04 1qh1 h GLU 40 Ca 0.21 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1qh1 h GLU 40 Cb -0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1qh1 h GLU 40 CO -0.06 0.24 -0.17 0.28 -1.00 0.00 0.00 179.01 178.30 1qh1 h VAL 41 N 0.37 1.28 -0.54 3.13 2.07 -0.87 -1.82 116.25 119.87 1qh1 h VAL 41 Ca 0.17 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1qh1 h VAL 41 Cb 0.10 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1qh1 h VAL 41 CO -0.13 0.43 0.34 0.15 0.02 0.00 0.00 177.57 178.38 1qh1 h PHE 42 N 0.64 0.70 -0.88 1.57 3.57 -0.71 -0.82 116.94 121.01 1qh1 h PHE 42 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1qh1 h PHE 42 Cb 0.72 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1qh1 h PHE 42 CO 0.05 0.47 0.55 0.00 -2.23 0.00 0.00 178.31 177.16 1qh1 h ALA 43 N 1.17 1.31 -0.83 2.41 0.00 -0.96 -1.76 119.26 120.61 1qh1 h ALA 43 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qh1 h ALA 43 Cb -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.35 1qh1 h ALA 43 CO -0.04 0.61 0.48 2.35 0.00 0.00 0.00 179.25 182.65 1qh1 h TRP 44 N 1.21 1.11 0.00 0.00 7.01 -0.42 -1.81 115.95 123.05 1qh1 h TRP 44 Ca 0.32 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.31 1qh1 h TRP 44 Cb -0.08 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.61 1qh1 h TRP 44 CO 0.00 0.75 0.00 0.25 -2.79 0.00 0.00 178.44 176.66 1qh1 n THR 45 N -4.36 1.13 1.25 2.65 -2.24 -0.40 -1.66 114.28 110.65 1qh1 n THR 45 Ca 0.09 0.30 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 1qh1 n THR 45 Cb 0.08 -1.12 0.31 0.00 -2.10 0.00 0.00 70.33 67.50 1qh1 n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qh1 n THR 46 N -1.63 0.00 -2.52 4.28 -2.24 -0.68 -4.82 114.28 106.66 1qh1 n THR 46 Ca 0.03 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1qh1 n THR 46 Cb 0.15 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1qh1 n THR 46 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qh1 s THR 47 N -2.10 3.11 0.25 4.28 -4.23 -0.66 -4.64 115.64 111.65 1qh1 s THR 47 Ca 0.31 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 1qh1 s THR 47 Cb 0.20 -3.23 0.15 0.00 1.34 0.00 0.00 72.50 70.96 1qh1 s THR 47 CO 0.36 -0.20 1.80 0.00 -0.54 0.00 0.00 174.62 176.04 1qh1 h ALA 48 N -0.11 1.13 -0.57 3.99 0.00 -1.95 -0.75 119.26 121.00 1qh1 h ALA 48 Ca -0.44 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1qh1 h ALA 48 Cb 1.28 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1qh1 h ALA 48 CO 0.58 0.59 0.30 1.49 0.00 0.00 0.00 179.25 182.21 1qh1 h GLU 49 N 0.90 0.56 -0.54 0.00 4.81 -1.95 -0.90 114.58 117.47 1qh1 h GLU 49 Ca 0.20 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1qh1 h GLU 49 Cb 0.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1qh1 h GLU 49 CO -0.00 0.37 0.18 -0.92 -0.73 0.00 0.00 179.01 177.91 1qh1 h TYR 50 N 0.58 0.85 -0.93 0.92 3.20 -1.67 -2.66 116.97 117.25 1qh1 h TYR 50 Ca 0.25 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1qh1 h TYR 50 Cb 0.15 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1qh1 h TYR 50 CO -0.09 0.72 0.59 1.49 -1.64 0.00 0.00 178.16 179.22 1qh1 h GLU 51 N 0.74 1.05 -0.71 1.82 4.81 -0.70 0.20 114.58 121.78 1qh1 h GLU 51 Ca 0.18 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1qh1 h GLU 51 Cb 0.25 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1qh1 h GLU 51 CO -0.01 0.69 0.37 0.00 -0.73 0.00 0.00 179.01 179.33 1qh1 h ALA 52 N 1.43 0.91 -0.66 2.92 0.00 -0.85 -0.36 119.26 122.65 1qh1 h ALA 52 Ca 0.40 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1qh1 h ALA 52 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1qh1 h ALA 52 CO -0.17 0.45 0.09 -0.07 0.00 0.00 0.00 179.25 179.55 1qh1 h LEU 53 N 0.98 1.06 -0.94 0.00 3.38 -1.07 -2.79 115.31 115.93 1qh1 h LEU 53 Ca 0.25 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1qh1 h LEU 53 Cb 0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1qh1 h LEU 53 CO -0.04 1.06 0.61 -1.13 0.09 0.00 0.00 178.44 179.04 1qh1 h ASN 54 N 1.02 1.03 -0.01 -0.43 -1.24 -0.08 -1.26 115.58 114.62 1qh1 h ASN 54 Ca 0.20 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1qh1 h ASN 54 Cb 0.46 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.27 1qh1 h ASN 54 CO 0.02 0.72 0.00 0.49 -1.29 0.00 0.00 177.43 177.36 1qh1 n PHE 55 N -4.47 0.01 1.21 0.67 3.01 -0.20 -2.67 117.46 115.02 1qh1 n PHE 55 Ca 0.12 -0.01 0.13 0.00 1.01 0.00 0.00 57.45 58.70 1qh1 n PHE 55 Cb 0.07 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.88 1qh1 n PHE 55 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1qh1 n ARG 56 N -0.78 0.82 -1.82 -1.08 1.74 -0.47 -4.96 116.66 110.11 1qh1 n ARG 56 Ca 0.20 -0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 56.36 1qh1 n ARG 56 Cb 0.12 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1qh1 n ARG 56 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1qh1 s ARG 57 N -2.52 4.13 0.00 5.56 0.52 -1.09 -4.90 118.95 120.64 1qh1 s ARG 57 Ca 0.23 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 1qh1 s ARG 57 Cb 0.19 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1qh1 s ARG 57 CO 0.53 -0.53 0.00 0.39 0.02 0.00 0.00 175.30 175.71 1qh1 n GLU 58 N 0.77 2.65 0.00 3.54 1.02 -1.26 -4.92 120.64 122.43 1qh1 n GLU 58 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1qh1 n GLU 58 Cb 0.39 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1qh1 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qh1 n ALA 59 N -1.66 2.00 -2.29 0.62 0.00 -1.26 -5.03 120.51 112.88 1qh1 n ALA 59 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1qh1 n ALA 59 Cb 0.30 0.47 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 1qh1 n ALA 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qh1 s LEU 60 N -4.87 4.49 -0.08 0.00 2.96 -1.26 -5.07 118.68 114.85 1qh1 s LEU 60 Ca 0.00 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1qh1 s LEU 60 Cb 0.00 -3.38 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1qh1 s LEU 60 CO 0.00 0.01 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.03 1qh1 s THR 61 N -0.16 3.27 -0.05 3.68 2.01 -1.26 -4.95 115.64 118.17 1qh1 s THR 61 Ca 0.41 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1qh1 s THR 61 Cb -0.22 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 69.99 1qh1 s THR 61 CO 0.26 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.03 1qh1 s VAL 62 N -0.44 0.56 -0.81 3.82 1.01 -1.26 -4.89 120.40 118.39 1qh1 s VAL 62 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1qh1 s VAL 62 Cb -0.12 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1qh1 s VAL 62 CO 0.02 0.25 0.67 0.47 0.00 0.00 0.00 175.10 176.50 1qh1 n ASP 63 N 4.31 -6.38 -4.71 3.32 8.00 -1.26 -2.93 116.55 116.90 1qh1 n ASP 63 Ca -0.20 -0.52 -0.34 0.00 0.71 0.00 0.00 54.79 54.43 1qh1 n ASP 63 Cb 0.51 -3.65 0.10 0.00 -0.02 0.00 0.00 41.12 38.06 1qh1 n ASP 63 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1qh1 s PRO 64 N -4.04 2.00 -0.55 -0.24 0.04 -1.26 -0.28 135.00 130.67 1qh1 s PRO 64 Ca 0.04 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.90 1qh1 s PRO 64 Cb -0.01 -1.82 0.35 0.00 0.04 0.00 0.00 34.50 33.07 1qh1 s PRO 64 CO 0.82 -1.94 0.97 0.00 0.04 0.00 0.00 177.00 176.89 1qh1 n ALA 65 N -2.87 4.71 -3.62 8.56 0.00 -1.26 -4.72 120.51 121.31 1qh1 n ALA 65 Ca 0.13 -4.62 -0.06 0.00 0.00 0.00 0.00 53.44 48.90 1qh1 n ALA 65 Cb 0.50 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1qh1 n ALA 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qh1 s LYS 66 N -3.47 0.93 0.18 0.00 -2.85 -1.26 -4.50 119.74 108.76 1qh1 s LYS 66 Ca 0.49 -0.44 0.02 0.00 -1.00 0.00 0.00 55.97 55.04 1qh1 s LYS 66 Cb 0.30 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.43 1qh1 s LYS 66 CO -0.15 -0.42 0.06 0.00 0.10 0.00 0.00 175.35 174.94 1qh1 n ALA 67 N -0.35 0.24 -2.65 0.59 0.00 -1.26 -5.02 120.51 112.07 1qh1 n ALA 67 Ca -0.07 -0.89 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 1qh1 n ALA 67 Cb 0.61 0.59 -0.01 0.00 0.00 0.00 0.00 19.45 20.64 1qh1 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qh1 h GLN 69 N 0.79 -0.41 -0.74 0.00 4.20 -1.82 -2.15 115.11 114.98 1qh1 h GLN 69 Ca -0.49 0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.46 1qh1 h GLN 69 Cb 1.23 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1qh1 h GLN 69 CO 0.60 -0.27 0.54 -1.00 -0.67 0.00 0.00 178.83 178.03 1qh1 h PRO 70 N -0.43 0.00 -0.93 1.46 0.13 -1.81 0.63 132.00 131.06 1qh1 h PRO 70 Ca 0.10 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1qh1 h PRO 70 Cb 0.60 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.67 1qh1 h PRO 70 CO -0.43 0.00 0.60 1.25 -0.23 0.00 0.00 178.00 179.19 1qh1 h LEU 71 N 0.00 0.97 -0.31 1.56 5.85 -1.73 -0.35 115.31 121.30 1qh1 h LEU 71 Ca 0.35 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.91 1qh1 h LEU 71 Cb 1.43 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1qh1 h LEU 71 CO -0.00 0.64 -0.41 1.23 -0.34 0.00 0.00 178.44 179.56 1qh1 h GLY 72 N 1.11 0.90 1.13 3.75 0.00 -0.97 -2.31 103.07 106.68 1qh1 h GLY 72 Ca 0.38 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1qh1 h GLY 72 CO -0.13 0.88 0.30 0.00 0.00 0.00 0.00 176.54 177.59 1qh1 h ALA 73 N 0.71 1.12 -0.47 3.60 0.00 -1.07 -0.88 119.26 122.28 1qh1 h ALA 73 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qh1 h ALA 73 Cb 1.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1qh1 h ALA 73 CO 0.10 0.63 0.28 0.28 0.00 0.00 0.00 179.25 180.54 1qh1 h VAL 74 N 1.08 1.15 -0.82 0.00 2.07 -0.95 -1.07 116.25 117.72 1qh1 h VAL 74 Ca 0.25 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1qh1 h VAL 74 Cb 0.20 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1qh1 h VAL 74 CO -0.02 0.16 0.34 0.25 0.02 0.00 0.00 177.57 178.32 1qh1 h LEU 75 N 0.63 1.11 -0.43 2.57 5.85 -1.19 -1.00 115.31 122.85 1qh1 h LEU 75 Ca 0.17 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1qh1 h LEU 75 Cb 0.01 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1qh1 h LEU 75 CO -0.03 0.97 0.28 0.00 -0.34 0.00 0.00 178.44 179.32 1qh1 h SER 77 N 0.58 0.68 0.13 0.00 0.02 -0.79 -2.07 113.55 112.10 1qh1 h SER 77 Ca 0.16 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1qh1 h SER 77 Cb -0.05 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1qh1 h SER 77 CO -0.03 0.63 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.20 1qh1 h LEU 78 N 0.73 0.00 0.00 5.07 3.38 -0.98 -2.30 115.31 121.21 1qh1 h LEU 78 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1qh1 h LEU 78 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1qh1 h LEU 78 CO -0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1qh1 n GLY 79 N -1.02 -0.89 3.68 0.83 0.00 -0.78 -4.56 105.19 102.45 1qh1 n GLY 79 Ca -0.03 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1qh1 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qh1 s PHE 80 N -2.00 2.95 0.31 1.61 0.08 -0.87 -1.01 117.98 119.05 1qh1 s PHE 80 Ca 0.29 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.99 1qh1 s PHE 80 Cb 0.13 -1.49 -0.11 0.00 -0.57 0.00 0.00 43.02 40.99 1qh1 s PHE 80 CO 0.23 0.49 1.44 0.00 -0.10 0.00 0.00 175.22 177.27 1qh1 s ALA 81 N -1.42 3.60 -1.57 5.36 0.00 0.14 -3.17 121.76 124.70 1qh1 s ALA 81 Ca 0.26 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1qh1 s ALA 81 Cb -0.11 -3.56 0.09 0.00 0.00 0.00 0.00 23.12 19.54 1qh1 s ALA 81 CO 0.18 -0.82 0.72 0.09 0.00 0.00 0.00 175.76 175.93 1qh1 n ASN 82 N 1.47 -2.67 -4.47 0.00 3.02 -1.26 -4.66 115.26 106.69 1qh1 n ASN 82 Ca 0.04 -0.96 -0.34 0.00 -0.03 0.00 0.00 54.58 53.29 1qh1 n ASN 82 Cb 0.40 -3.12 -0.13 0.00 -0.61 0.00 0.00 39.78 36.32 1qh1 n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qh1 s THR 83 N -3.50 3.78 -0.34 3.41 2.01 -1.19 -1.37 115.64 118.45 1qh1 s THR 83 Ca 0.49 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1qh1 s THR 83 Cb -0.26 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.60 1qh1 s THR 83 CO 0.89 0.48 0.17 -0.22 -0.69 0.00 0.00 174.62 175.26 1qh1 s LEU 84 N 0.53 4.36 0.30 4.42 2.96 -0.27 -4.85 118.68 126.13 1qh1 s LEU 84 Ca -0.03 -0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 1qh1 s LEU 84 Cb -0.14 -2.01 -0.11 0.00 0.50 0.00 0.00 46.19 44.43 1qh1 s LEU 84 CO 0.03 -0.27 1.51 -2.84 -1.32 0.00 0.00 176.35 173.45 1qh1 s PRO 85 N 1.59 4.18 -0.04 0.98 0.02 -1.26 -1.92 135.00 138.55 1qh1 s PRO 85 Ca 0.04 2.47 -0.00 0.00 0.02 0.00 0.00 61.00 63.52 1qh1 s PRO 85 Cb -0.18 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1qh1 s PRO 85 CO 0.06 -0.52 0.01 -0.47 -0.33 0.00 0.00 177.00 175.76 1qh1 s TYR 86 N -0.28 0.33 -0.29 6.54 6.14 -0.11 -1.39 117.35 128.28 1qh1 s TYR 86 Ca 0.59 0.02 -0.02 0.00 0.64 0.00 0.00 57.07 58.29 1qh1 s TYR 86 Cb -0.45 -0.48 0.04 0.00 0.42 0.00 0.00 41.96 41.49 1qh1 s TYR 86 CO 0.50 -0.17 -0.00 0.08 0.64 0.00 0.00 175.55 176.59 1qh1 s VAL 87 N 1.36 3.09 -0.27 3.14 1.01 -0.01 -1.03 120.40 127.69 1qh1 s VAL 87 Ca -0.05 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1qh1 s VAL 87 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1qh1 s VAL 87 CO -0.02 -0.03 1.27 -2.28 0.00 0.00 0.00 175.10 174.04 1qh1 s HIS 88 N 1.30 2.77 -1.91 5.22 2.46 0.90 -3.34 115.29 122.70 1qh1 s HIS 88 Ca -0.03 0.94 0.00 0.00 0.47 0.00 0.00 55.06 56.44 1qh1 s HIS 88 Cb -0.19 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 1qh1 s HIS 88 CO -0.01 -1.60 0.00 0.41 -2.47 0.00 0.00 174.74 171.07 1qh1 n GLY 89 N 4.12 -0.14 3.83 1.59 0.00 -1.26 -1.55 105.19 111.78 1qh1 n GLY 89 Ca 0.14 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1qh1 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qh1 s SER 90 N -4.00 6.91 0.36 1.61 1.04 -1.26 -0.86 113.70 117.49 1qh1 s SER 90 Ca 0.00 1.09 0.11 0.00 0.48 0.00 0.00 55.95 57.63 1qh1 s SER 90 Cb 0.00 -2.30 0.68 0.00 0.10 0.00 0.00 66.02 64.51 1qh1 s SER 90 CO 0.00 0.26 1.82 0.06 0.98 0.00 0.00 173.24 176.37 1qh1 h GLN 91 N 4.40 0.11 -0.95 4.02 3.07 -1.90 -3.10 115.11 120.76 1qh1 h GLN 91 Ca -0.50 -0.04 0.20 0.00 0.09 0.00 0.00 58.65 58.40 1qh1 h GLN 91 Cb 1.21 -0.01 -0.11 0.00 0.08 0.00 0.00 27.48 28.65 1qh1 h GLN 91 CO 0.63 0.42 0.53 0.78 0.09 0.00 0.00 178.83 181.28 1qh1 h GLY 92 N 1.03 1.70 0.64 0.06 0.00 -1.97 -2.19 103.07 102.34 1qh1 h GLY 92 Ca 0.01 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.12 1qh1 h GLY 92 CO 0.05 -0.15 0.27 0.00 0.00 0.00 0.00 176.54 176.70 1qh1 h VAL 94 N 0.51 1.31 -0.55 0.00 2.07 -1.58 0.14 116.25 118.14 1qh1 h VAL 94 Ca 0.26 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1qh1 h VAL 94 Cb 0.20 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1qh1 h VAL 94 CO -0.20 0.49 0.30 0.00 0.02 0.00 0.00 177.57 178.18 1qh1 h ALA 95 N 1.18 0.71 -0.26 1.67 0.00 -1.24 -1.98 119.26 119.34 1qh1 h ALA 95 Ca 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1qh1 h ALA 95 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qh1 h ALA 95 CO 0.08 0.23 -0.43 1.88 0.00 0.00 0.00 179.25 181.01 1qh1 h TYR 96 N 0.74 0.77 -0.48 0.00 0.05 -0.84 -1.70 116.97 115.51 1qh1 h TYR 96 Ca 0.19 -0.23 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1qh1 h TYR 96 Cb 0.06 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1qh1 h TYR 96 CO -0.01 0.96 0.01 0.74 -1.05 0.00 0.00 178.16 178.80 1qh1 h PHE 97 N 0.52 0.92 -0.17 4.88 0.04 -0.50 -0.53 116.94 122.10 1qh1 h PHE 97 Ca 0.04 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1qh1 h PHE 97 Cb 0.95 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1qh1 h PHE 97 CO 0.04 0.87 0.10 0.00 -0.60 0.00 0.00 178.31 178.72 1qh1 h ARG 98 N 0.70 0.23 -0.63 1.51 3.08 -1.38 -2.26 114.38 115.62 1qh1 h ARG 98 Ca 0.14 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1qh1 h ARG 98 Cb 0.50 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1qh1 h ARG 98 CO 0.02 0.20 0.29 1.15 -1.07 0.00 0.00 179.97 180.56 1qh1 h THR 99 N 0.19 1.21 -0.23 2.04 2.02 -1.13 0.23 112.91 117.24 1qh1 h THR 99 Ca 0.06 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1qh1 h THR 99 Cb 0.03 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1qh1 h THR 99 CO -0.01 0.25 -0.02 0.22 0.37 0.00 0.00 175.52 176.33 1qh1 h TYR 100 N 0.89 0.46 0.00 3.16 3.20 -0.90 -1.95 116.97 121.84 1qh1 h TYR 100 Ca 0.22 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1qh1 h TYR 100 Cb 0.11 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1qh1 h TYR 100 CO 0.01 0.62 -0.53 0.74 -1.64 0.00 0.00 178.16 177.35 1qh1 h PHE 101 N 0.17 0.00 -0.71 -3.82 0.04 -1.17 -2.95 116.94 108.50 1qh1 h PHE 101 Ca 0.06 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1qh1 h PHE 101 Cb 0.45 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 1qh1 h PHE 101 CO 0.04 0.53 0.47 -0.91 -0.60 0.00 0.00 178.31 177.84 1qh1 h ASN 102 N 0.00 0.80 1.30 2.17 -0.26 -0.20 -1.62 115.58 117.77 1qh1 h ASN 102 Ca -0.01 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.63 1qh1 h ASN 102 Cb 0.98 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 38.03 1qh1 h ASN 102 CO 0.07 0.58 -0.41 0.03 -1.06 0.00 0.00 177.43 176.64 1qh1 h ARG 103 N 0.95 0.00 0.02 0.81 3.08 -1.28 0.42 114.38 118.37 1qh1 h ARG 103 Ca 0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1qh1 h ARG 103 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1qh1 h ARG 103 CO -0.06 0.41 -0.43 1.25 -1.07 0.00 0.00 179.97 180.07 1qh1 h HIS 104 N 0.00 0.07 0.00 3.04 2.76 -1.32 -3.40 115.15 116.30 1qh1 h HIS 104 Ca -0.00 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1qh1 h HIS 104 Cb 1.17 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 1qh1 h HIS 104 CO 0.00 1.17 -0.24 0.74 -1.30 0.00 0.00 177.93 178.29 1qh1 h PHE 105 N -0.91 0.00 -5.31 5.26 0.04 -1.38 -3.44 116.94 111.21 1qh1 h PHE 105 Ca -0.11 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.33 1qh1 h PHE 105 Cb 1.17 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.45 1qh1 h PHE 105 CO 0.22 0.01 -0.64 1.63 -0.60 0.00 0.00 178.31 178.94 1qh1 n LYS 106 N -3.01 -6.70 -3.85 1.51 4.01 0.13 -4.98 118.16 105.27 1qh1 n LYS 106 Ca 0.03 0.75 -0.09 0.00 -0.51 0.00 0.00 58.31 58.49 1qh1 n LYS 106 Cb 0.54 -5.53 -0.07 0.00 -0.51 0.00 0.00 35.03 29.46 1qh1 n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1qh1 s GLU 107 N -5.82 0.90 0.74 1.97 0.41 -1.22 -5.07 118.70 110.62 1qh1 s GLU 107 Ca 0.33 -0.97 -0.12 0.00 -0.41 0.00 0.00 54.97 53.81 1qh1 s GLU 107 Cb -0.14 0.36 0.04 0.00 -1.78 0.00 0.00 34.13 32.60 1qh1 s GLU 107 CO 0.65 -0.30 1.09 -1.25 -0.49 0.00 0.00 175.26 174.97 1qh1 s PRO 108 N -3.87 2.43 -0.11 0.39 0.04 -1.26 -4.31 135.00 128.32 1qh1 s PRO 108 Ca 0.06 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 1qh1 s PRO 108 Cb 0.04 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1qh1 s PRO 108 CO -0.10 -1.51 0.07 0.42 0.04 0.00 0.00 177.00 175.92 1qh1 s ILE 109 N -2.76 -0.05 -0.05 0.56 -1.09 -1.26 -4.95 121.20 111.60 1qh1 s ILE 109 Ca 0.63 0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.94 1qh1 s ILE 109 Cb -0.18 -0.39 -0.04 0.00 -1.58 0.00 0.00 42.46 40.27 1qh1 s ILE 109 CO 0.52 -0.04 0.66 0.00 -1.23 0.00 0.00 174.94 174.85 1qh1 s ALA 110 N 2.14 3.38 -0.28 9.38 0.00 -1.26 -4.90 121.76 130.22 1qh1 s ALA 110 Ca 0.03 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 1qh1 s ALA 110 Cb -0.14 -2.88 0.11 0.00 0.00 0.00 0.00 23.12 20.21 1qh1 s ALA 110 CO -0.06 -0.02 0.90 0.00 0.00 0.00 0.00 175.76 176.58 1qh1 s VAL 112 N 0.56 2.28 0.33 0.00 -7.23 -0.49 -5.01 120.40 110.84 1qh1 s VAL 112 Ca -0.01 -2.27 0.10 0.00 -1.81 0.00 0.00 61.98 57.99 1qh1 s VAL 112 Cb -0.05 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 1qh1 s VAL 112 CO -0.07 -0.27 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.84 1qh1 s SER 113 N -3.57 3.95 -0.12 4.85 0.15 -1.26 -0.83 113.70 116.88 1qh1 s SER 113 Ca 0.31 -1.05 0.15 0.00 0.70 0.00 0.00 55.95 56.06 1qh1 s SER 113 Cb 0.00 -0.45 0.51 0.00 -1.71 0.00 0.00 66.02 64.38 1qh1 s SER 113 CO 0.16 -0.17 1.43 -0.90 1.20 0.00 0.00 173.24 174.95 1qh1 n ASP 114 N -0.85 3.87 -3.63 5.45 5.68 -1.21 -4.92 116.55 120.93 1qh1 n ASP 114 Ca -0.05 -2.61 -0.30 0.00 -0.50 0.00 0.00 54.79 51.34 1qh1 n ASP 114 Cb 0.62 -0.46 0.05 0.00 -1.14 0.00 0.00 41.12 40.18 1qh1 n ASP 114 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1qh1 n SER 115 N 0.15 -5.41 -4.72 -1.12 7.64 -1.15 -4.83 113.62 104.18 1qh1 n SER 115 Ca 0.20 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.68 1qh1 n SER 115 Cb 0.77 -3.60 -0.03 0.00 -1.01 0.00 0.00 64.21 60.34 1qh1 n SER 115 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1qh1 s MET 116 N -5.80 4.54 0.00 1.43 -1.94 -0.04 -4.88 119.30 112.61 1qh1 s MET 116 Ca 0.47 1.62 0.00 0.00 -1.71 0.00 0.00 55.69 56.06 1qh1 s MET 116 Cb -0.15 -3.37 0.00 0.00 2.01 0.00 0.00 34.83 33.32 1qh1 s MET 116 CO 0.85 -0.06 0.00 0.25 -0.01 0.00 0.00 175.02 176.05 1qh1 n THR 117 N 3.40 0.00 -0.34 2.05 -2.24 -1.26 -4.38 114.28 111.51 1qh1 n THR 117 Ca 0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1qh1 n THR 117 Cb 0.48 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.96 1qh1 n THR 117 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qh1 h GLU 118 N 0.00 0.79 -0.62 -0.78 3.07 -1.99 -1.08 114.58 113.98 1qh1 h GLU 118 Ca 0.00 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1qh1 h GLU 118 Cb 0.00 -0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 27.66 1qh1 h GLU 118 CO 0.00 0.53 0.25 -0.44 -1.40 0.00 0.00 179.01 177.95 1qh1 h ASP 119 N 0.82 0.28 0.87 1.42 5.19 -1.99 0.21 116.42 123.21 1qh1 h ASP 119 Ca 0.50 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.97 1qh1 h ASP 119 Cb 0.63 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1qh1 h ASP 119 CO -0.32 0.17 -0.07 0.00 -3.12 0.00 0.00 179.24 175.90 1qh1 h ALA 120 N 1.41 1.03 0.00 3.45 0.00 -1.52 -2.31 119.26 121.33 1qh1 h ALA 120 Ca 0.31 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1qh1 h ALA 120 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qh1 h ALA 120 CO -0.29 0.09 -0.43 0.00 0.00 0.00 0.00 179.25 178.62 1qh1 h ALA 121 N 1.93 1.04 0.00 0.00 0.00 0.59 -1.40 119.26 121.42 1qh1 h ALA 121 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1qh1 h ALA 121 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qh1 h ALA 121 CO 0.01 0.54 -0.52 0.28 0.00 0.00 0.00 179.25 179.56 1qh1 h VAL 122 N 0.00 1.20 -0.02 0.00 2.07 -1.14 -3.40 116.25 114.95 1qh1 h VAL 122 Ca -0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1qh1 h VAL 122 Cb 0.91 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1qh1 h VAL 122 CO 0.06 0.41 -0.31 0.49 0.02 0.00 0.00 177.57 178.23 1qh1 n PHE 123 N -4.56 0.00 0.00 1.57 3.72 -0.89 -5.07 117.46 112.23 1qh1 n PHE 123 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1qh1 n PHE 123 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1qh1 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qh1 n GLY 124 N 1.38 0.65 1.55 1.37 0.00 -0.53 -4.76 105.19 104.85 1qh1 n GLY 124 Ca 0.11 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 1qh1 n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh1 n GLY 125 N 0.70 2.88 0.24 -0.02 0.00 -1.26 -4.54 105.19 103.19 1qh1 n GLY 125 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 1qh1 n GLY 125 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qh1 h ASN 126 N 1.92 0.71 -0.40 1.61 -0.73 -1.94 -1.52 115.58 115.23 1qh1 h ASN 126 Ca 0.15 -0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.14 1qh1 h ASN 126 Cb 1.74 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.14 1qh1 h ASN 126 CO 0.47 0.58 -0.13 0.78 -0.37 0.00 0.00 177.43 178.76 1qh1 h ASN 127 N 0.78 0.80 -0.80 1.15 2.35 -1.95 -2.34 115.58 115.57 1qh1 h ASN 127 Ca 0.20 -0.38 0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1qh1 h ASN 127 Cb 0.02 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.10 1qh1 h ASN 127 CO -0.04 1.00 0.46 0.78 -1.65 0.00 0.00 177.43 177.98 1qh1 h ASN 128 N 0.60 0.68 -0.52 5.81 4.21 -1.78 -1.37 115.58 123.21 1qh1 h ASN 128 Ca 0.10 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 1qh1 h ASN 128 Cb 0.66 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 1qh1 h ASN 128 CO 0.05 0.40 0.31 -0.03 -1.29 0.00 0.00 177.43 176.87 1qh1 h MET 129 N 0.80 0.71 0.02 0.81 4.05 -1.08 0.34 114.93 120.57 1qh1 h MET 129 Ca 0.38 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.73 1qh1 h MET 129 Cb 0.30 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1qh1 h MET 129 CO -0.22 0.52 -0.01 -0.91 0.23 0.00 0.00 176.91 176.52 1qh1 h ASN 130 N 0.69 -0.02 0.08 1.39 2.35 -1.19 -0.85 115.58 118.03 1qh1 h ASN 130 Ca 0.19 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1qh1 h ASN 130 Cb -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1qh1 h ASN 130 CO -0.03 0.19 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.45 1qh1 h LEU 131 N -0.22 0.45 -0.21 1.61 3.38 -1.25 -2.35 115.31 116.73 1qh1 h LEU 131 Ca -0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1qh1 h LEU 131 Cb 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qh1 h LEU 131 CO 0.00 0.82 -0.09 1.23 0.09 0.00 0.00 178.44 180.49 1qh1 h GLY 132 N 1.14 0.46 1.08 0.83 0.00 -0.19 -0.44 103.07 105.96 1qh1 h GLY 132 Ca 0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1qh1 h GLY 132 CO 0.07 0.37 0.32 1.41 0.00 0.00 0.00 176.54 178.72 1qh1 h LEU 133 N 0.13 1.07 -0.37 3.11 3.38 -1.15 0.56 115.31 122.05 1qh1 h LEU 133 Ca 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1qh1 h LEU 133 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1qh1 h LEU 133 CO 0.03 0.94 0.06 -0.61 0.09 0.00 0.00 178.44 178.95 1qh1 h GLN 134 N 1.14 0.62 -0.21 1.13 4.15 -1.28 -1.56 115.11 119.10 1qh1 h GLN 134 Ca 0.26 -0.17 -0.19 0.00 0.77 0.00 0.00 58.65 59.33 1qh1 h GLN 134 Cb 0.20 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1qh1 h GLN 134 CO -0.02 0.68 -0.63 -0.91 -1.93 0.00 0.00 178.83 176.02 1qh1 h ASN 135 N 0.46 0.82 -0.56 -0.69 2.35 -0.98 -1.70 115.58 115.27 1qh1 h ASN 135 Ca 0.11 -0.47 -0.11 0.00 -0.55 0.00 0.00 56.30 55.28 1qh1 h ASN 135 Cb 0.36 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1qh1 h ASN 135 CO 0.01 1.25 -0.08 0.00 -1.65 0.00 0.00 177.43 176.96 1qh1 h ALA 136 N 0.76 0.79 -0.41 -0.83 0.00 -0.82 -1.93 119.26 116.81 1qh1 h ALA 136 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1qh1 h ALA 136 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1qh1 h ALA 136 CO 0.13 0.67 0.19 1.03 0.00 0.00 0.00 179.25 181.27 1qh1 h SER 137 N 0.94 0.54 -0.34 0.00 0.87 -1.23 -0.14 113.55 114.19 1qh1 h SER 137 Ca 0.15 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1qh1 h SER 137 Cb 0.64 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1qh1 h SER 137 CO 0.04 0.53 0.17 0.00 -0.53 0.00 0.00 176.83 177.05 1qh1 h ALA 138 N 1.03 0.44 0.21 6.23 0.00 -1.12 -1.92 119.26 124.13 1qh1 h ALA 138 Ca 0.14 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 1qh1 h ALA 138 Cb 0.14 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qh1 h ALA 138 CO -0.02 -0.00 -1.55 -0.07 0.00 0.00 0.00 179.25 177.61 1qh1 h LEU 139 N 0.42 0.69 -1.20 0.00 4.07 -1.27 -3.39 115.31 114.63 1qh1 h LEU 139 Ca 0.12 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1qh1 h LEU 139 Cb 0.11 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1qh1 h LEU 139 CO -0.02 1.68 -0.18 -1.22 -1.08 0.00 0.00 178.44 177.62 1qh1 n TYR 140 N -3.63 0.00 -4.04 1.13 4.01 -0.07 -5.04 117.16 109.51 1qh1 n TYR 140 Ca -0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.22 1qh1 n TYR 140 Cb 1.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.08 1qh1 n TYR 140 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1qh1 n LYS 141 N 0.32 -0.61 -1.90 -0.72 5.02 -0.72 -4.95 118.16 114.60 1qh1 n LYS 141 Ca 0.08 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 1qh1 n LYS 141 Cb 0.36 -2.41 0.02 0.00 -0.02 0.00 0.00 35.03 32.97 1qh1 n LYS 141 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qh1 s PRO 142 N -6.93 3.40 -0.01 1.97 0.04 -1.26 -4.97 135.00 127.24 1qh1 s PRO 142 Ca 0.23 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.29 1qh1 s PRO 142 Cb -0.13 -2.05 -0.23 0.00 0.04 0.00 0.00 34.50 32.13 1qh1 s PRO 142 CO 0.83 -0.73 0.80 0.93 0.04 0.00 0.00 177.00 178.88 1qh1 h GLU 143 N -0.08 0.04 -4.21 4.56 5.08 -1.54 -3.46 114.58 114.97 1qh1 h GLU 143 Ca -0.45 -0.07 -0.49 0.00 -1.00 0.00 0.00 59.36 57.35 1qh1 h GLU 143 Cb 1.20 0.03 -0.36 0.00 0.50 0.00 0.00 28.75 30.12 1qh1 h GLU 143 CO 0.59 0.71 -0.80 0.42 -1.00 0.00 0.00 179.01 178.94 1qh1 s ILE 144 N -2.62 0.89 -0.35 3.13 1.01 -1.04 -1.60 121.20 120.61 1qh1 s ILE 144 Ca -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1qh1 s ILE 144 Cb 0.08 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.71 1qh1 s ILE 144 CO 0.82 0.33 0.12 -0.63 0.00 0.00 0.00 174.94 175.58 1qh1 s ILE 145 N 1.34 3.62 -0.48 2.92 1.01 0.10 -1.11 121.20 128.61 1qh1 s ILE 145 Ca -0.03 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.11 1qh1 s ILE 145 Cb -0.14 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.26 1qh1 s ILE 145 CO -0.03 -0.29 0.42 0.00 0.00 0.00 0.00 174.94 175.03 1qh1 s ALA 146 N 1.34 3.56 -0.17 9.38 0.00 -0.81 -3.56 121.76 131.50 1qh1 s ALA 146 Ca -0.00 -2.12 -0.17 0.00 0.00 0.00 0.00 51.96 49.66 1qh1 s ALA 146 Cb -0.21 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1qh1 s ALA 146 CO 0.01 -1.77 0.46 0.08 0.00 0.00 0.00 175.76 174.54 1qh1 s VAL 147 N 1.70 5.17 0.27 0.00 1.01 -0.24 -0.93 120.40 127.37 1qh1 s VAL 147 Ca 0.05 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.90 1qh1 s VAL 147 Cb -0.24 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1qh1 s VAL 147 CO 0.07 0.26 0.04 -1.54 0.00 0.00 0.00 175.10 173.93 1qh1 n SER 148 N 4.25 2.00 -4.11 3.32 3.41 -0.19 -1.14 113.62 121.16 1qh1 n SER 148 Ca -0.07 -2.28 -0.14 0.00 -0.26 0.00 0.00 58.87 56.12 1qh1 n SER 148 Cb 0.51 0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.74 1qh1 n SER 148 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qh1 s THR 149 N -2.24 0.73 0.50 6.66 -4.23 -1.25 -0.07 115.64 115.74 1qh1 s THR 149 Ca 0.06 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 1qh1 s THR 149 Cb 0.00 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.93 1qh1 s THR 149 CO 0.04 -0.43 0.72 0.42 -0.54 0.00 0.00 174.62 174.83 1qh1 s THR 150 N -1.75 3.22 0.33 3.99 -4.23 -0.59 -4.52 115.64 112.08 1qh1 s THR 150 Ca -0.04 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1qh1 s THR 150 Cb -0.07 -3.19 0.13 0.00 1.34 0.00 0.00 72.50 70.71 1qh1 s THR 150 CO 0.00 -0.13 1.84 0.00 -0.54 0.00 0.00 174.62 175.79 1qh1 h MET 152 N 0.44 -0.65 -0.59 0.00 1.85 -1.95 0.41 114.93 114.45 1qh1 h MET 152 Ca 0.09 0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.34 1qh1 h MET 152 Cb 0.43 0.15 -0.09 0.00 0.43 0.00 0.00 31.60 32.52 1qh1 h MET 152 CO 0.02 -0.43 0.06 0.00 -0.40 0.00 0.00 176.91 176.16 1qh1 h ALA 153 N -0.17 0.63 -0.44 0.39 0.00 -1.72 -1.56 119.26 116.40 1qh1 h ALA 153 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1qh1 h ALA 153 Cb 0.66 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1qh1 h ALA 153 CO -0.16 -0.36 0.20 0.93 0.00 0.00 0.00 179.25 179.87 1qh1 h GLU 154 N 0.18 0.63 -0.79 0.00 4.39 -1.06 -1.48 114.58 116.45 1qh1 h GLU 154 Ca 0.31 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1qh1 h GLU 154 Cb 0.48 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1qh1 h GLU 154 CO -0.45 0.55 0.43 0.28 -1.16 0.00 0.00 179.01 178.67 1qh1 h VAL 155 N 0.56 1.23 0.00 3.13 2.07 -0.57 -2.33 116.25 120.34 1qh1 h VAL 155 Ca 0.15 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1qh1 h VAL 155 Cb 0.13 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1qh1 h VAL 155 CO -0.02 0.26 -0.29 0.40 0.02 0.00 0.00 177.57 177.94 1qh1 h ILE 156 N 1.09 0.75 -0.87 4.57 2.04 -1.31 -3.47 117.51 120.31 1qh1 h ILE 156 Ca 0.28 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1qh1 h ILE 156 Cb 0.03 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1qh1 h ILE 156 CO -0.05 0.28 -0.05 0.61 0.00 0.00 0.00 178.15 178.94 1qh1 n GLY 157 N 0.01 0.59 3.70 5.37 0.00 -0.59 -4.99 105.19 109.29 1qh1 n GLY 157 Ca -0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1qh1 n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qh1 n ASP 158 N 1.37 3.72 -4.52 1.61 9.92 -1.05 -4.91 116.55 122.69 1qh1 n ASP 158 Ca -0.01 1.06 -0.42 0.00 -0.53 0.00 0.00 54.79 54.89 1qh1 n ASP 158 Cb 0.51 -1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 39.44 1qh1 n ASP 158 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qh1 s ASP 159 N 1.22 6.64 0.16 -2.24 -1.08 -1.26 -4.88 116.67 115.22 1qh1 s ASP 159 Ca 0.77 -1.91 -0.20 0.00 -0.52 0.00 0.00 52.55 50.68 1qh1 s ASP 159 Cb -0.56 -2.50 0.06 0.00 -1.46 0.00 0.00 42.92 38.46 1qh1 s ASP 159 CO 0.34 -1.25 1.64 -0.07 0.52 0.00 0.00 175.17 176.36 1qh1 h LEU 160 N 11.69 -0.61 -0.70 -1.34 3.38 -1.99 -1.26 115.31 124.48 1qh1 h LEU 160 Ca 0.23 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.43 1qh1 h LEU 160 Cb 0.98 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1qh1 h LEU 160 CO 1.31 -0.22 0.33 -0.61 0.09 0.00 0.00 178.44 179.35 1qh1 h GLN 161 N -0.14 0.55 -0.27 1.13 4.15 -1.99 -1.19 115.11 117.35 1qh1 h GLN 161 Ca 0.17 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 1qh1 h GLN 161 Cb 0.39 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1qh1 h GLN 161 CO -0.41 0.36 -0.43 0.00 -1.93 0.00 0.00 178.83 176.43 1qh1 h ALA 162 N 1.44 0.74 -0.55 3.38 0.00 -1.90 -1.67 119.26 120.70 1qh1 h ALA 162 Ca 0.35 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1qh1 h ALA 162 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1qh1 h ALA 162 CO -0.28 0.66 0.21 0.74 0.00 0.00 0.00 179.25 180.58 1qh1 h PHE 163 N 0.55 0.84 -0.13 0.00 -1.00 -0.73 -0.28 116.94 116.20 1qh1 h PHE 163 Ca 0.04 -0.07 -0.11 0.00 2.81 0.00 0.00 57.97 60.64 1qh1 h PHE 163 Cb 0.96 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1qh1 h PHE 163 CO 0.05 0.69 -0.42 0.82 -1.61 0.00 0.00 178.31 177.83 1qh1 h ILE 164 N 0.75 1.31 -0.25 -0.55 2.04 -1.14 -0.73 117.51 118.95 1qh1 h ILE 164 Ca 0.18 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.38 1qh1 h ILE 164 Cb 0.21 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1qh1 h ILE 164 CO -0.01 0.47 -0.22 0.00 0.00 0.00 0.00 178.15 178.39 1qh1 h ALA 165 N 1.31 0.36 -0.90 1.87 0.00 -1.01 -2.61 119.26 118.29 1qh1 h ALA 165 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1qh1 h ALA 165 Cb 0.85 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1qh1 h ALA 165 CO 0.07 0.32 0.53 -0.91 0.00 0.00 0.00 179.25 179.25 1qh1 h ASN 166 N 0.31 1.10 -1.00 0.00 2.35 -0.87 -0.36 115.58 117.10 1qh1 h ASN 166 Ca 0.04 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1qh1 h ASN 166 Cb 0.77 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 1qh1 h ASN 166 CO 0.06 0.85 0.66 0.00 -1.65 0.00 0.00 177.43 177.35 1qh1 h ALA 167 N 1.33 1.32 -0.06 -0.83 0.00 -0.77 1.00 119.26 121.24 1qh1 h ALA 167 Ca 0.32 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 1qh1 h ALA 167 Cb -0.03 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 17.40 1qh1 h ALA 167 CO -0.06 0.61 -0.90 0.87 0.00 0.00 0.00 179.25 179.77 1qh1 h LYS 168 N 1.31 0.72 -0.17 0.00 1.57 -1.13 0.21 116.57 119.07 1qh1 h LYS 168 Ca 0.38 -0.69 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1qh1 h LYS 168 Cb -0.07 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1qh1 h LYS 168 CO -0.10 1.28 -0.41 0.87 -0.57 0.00 0.00 179.45 180.52 1qh1 h LYS 169 N 0.41 0.39 -0.01 3.15 1.79 -0.79 -2.97 116.57 118.55 1qh1 h LYS 169 Ca -0.10 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1qh1 h LYS 169 Cb 1.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1qh1 h LYS 169 CO 0.18 0.74 -0.11 -0.25 -1.08 0.00 0.00 179.45 178.93 1qh1 n ASP 170 N -4.02 0.90 0.00 0.86 8.00 0.32 -4.93 116.55 117.68 1qh1 n ASP 170 Ca -0.02 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1qh1 n ASP 170 Cb 0.50 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1qh1 n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qh1 n GLY 171 N 1.24 0.66 0.07 0.44 0.00 -1.02 -4.96 105.19 101.62 1qh1 n GLY 171 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1qh1 n GLY 171 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qh1 h PHE 172 N 0.00 0.02 -3.78 1.61 0.04 -0.85 -3.43 116.94 110.54 1qh1 h PHE 172 Ca 0.00 -0.01 -0.41 0.00 2.80 0.00 0.00 57.97 60.35 1qh1 h PHE 172 Cb 0.00 -0.00 -0.31 0.00 2.20 0.00 0.00 35.95 37.84 1qh1 h PHE 172 CO 0.00 0.97 -0.78 0.54 -0.60 0.00 0.00 178.31 178.44 1qh1 s VAL 173 N -2.81 0.69 0.49 -0.55 0.11 -1.09 -3.44 120.40 113.81 1qh1 s VAL 173 Ca 0.01 -0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 58.52 1qh1 s VAL 173 Cb 0.10 -0.63 -0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1qh1 s VAL 173 CO 0.82 0.22 1.36 -0.62 -3.33 0.00 0.00 175.10 173.55 1qh1 s ASP 174 N 0.25 5.64 0.46 3.54 2.15 -1.26 -4.38 116.67 123.06 1qh1 s ASP 174 Ca -0.04 2.77 0.14 0.00 0.43 0.00 0.00 52.55 55.85 1qh1 s ASP 174 Cb -0.08 -2.64 1.04 0.00 -0.30 0.00 0.00 42.92 40.93 1qh1 s ASP 174 CO 0.00 -1.32 2.02 0.77 -0.17 0.00 0.00 175.17 176.48 1qh1 h SER 175 N 1.91 0.04 0.73 -0.34 4.64 -1.97 -2.12 113.55 116.44 1qh1 h SER 175 Ca -0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1qh1 h SER 175 Cb 1.28 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1qh1 h SER 175 CO 0.59 0.17 0.00 0.77 -0.87 0.00 0.00 176.83 177.49 1qh1 h SER 176 N 0.04 0.00 -3.45 4.97 4.64 -1.99 -3.44 113.55 114.33 1qh1 h SER 176 Ca 0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 1qh1 h SER 176 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1qh1 h SER 176 CO 0.02 0.00 0.25 -0.63 -0.87 0.00 0.00 176.83 175.60 1qh1 s ILE 177 N -3.45 4.76 0.02 0.95 -1.09 -0.80 -4.99 121.20 116.59 1qh1 s ILE 177 Ca 0.03 1.82 -0.28 0.00 -2.23 0.00 0.00 60.65 59.99 1qh1 s ILE 177 Cb 0.09 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1qh1 s ILE 177 CO 0.42 0.28 0.87 0.00 -1.23 0.00 0.00 174.94 175.29 1qh1 s ALA 178 N 0.36 3.26 -0.53 9.38 0.00 -0.63 -4.93 121.76 128.66 1qh1 s ALA 178 Ca 0.44 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1qh1 s ALA 178 Cb -0.21 -3.17 0.24 0.00 0.00 0.00 0.00 23.12 19.98 1qh1 s ALA 178 CO 0.25 -0.09 0.63 0.28 0.00 0.00 0.00 175.76 176.83 1qh1 n VAL 179 N 3.38 0.95 -1.97 0.00 0.31 -1.26 -0.72 118.33 119.02 1qh1 n VAL 179 Ca 0.02 -4.64 -0.38 0.00 -0.01 0.00 0.00 64.34 59.33 1qh1 n VAL 179 Cb 0.50 -2.03 0.02 0.00 -0.91 0.00 0.00 33.84 31.43 1qh1 n VAL 179 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qh1 s PRO 180 N -1.80 3.33 0.12 5.55 0.04 -1.23 -4.85 135.00 136.15 1qh1 s PRO 180 Ca 0.37 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.46 1qh1 s PRO 180 Cb 0.14 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1qh1 s PRO 180 CO -0.07 -0.98 -0.04 -3.38 0.04 0.00 0.00 177.00 172.58 1qh1 s HIS 181 N -1.41 0.94 -0.07 0.56 -3.43 -1.26 -1.08 115.29 109.54 1qh1 s HIS 181 Ca 0.70 -0.97 -0.16 0.00 -0.80 0.00 0.00 55.06 53.82 1qh1 s HIS 181 Cb -0.35 -0.55 0.03 0.00 -1.43 0.00 0.00 32.58 30.28 1qh1 s HIS 181 CO 0.42 -0.21 0.38 0.00 -2.00 0.00 0.00 174.74 173.33 1qh1 s ALA 182 N -3.68 -0.95 -0.22 -1.38 0.00 -0.29 -4.27 121.76 110.97 1qh1 s ALA 182 Ca 0.15 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 1qh1 s ALA 182 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1qh1 s ALA 182 CO -0.03 -0.24 0.80 -1.01 0.00 0.00 0.00 175.76 175.29 1qh1 s HIS 183 N -0.72 3.35 -0.53 0.00 3.76 -1.26 -3.84 115.29 116.04 1qh1 s HIS 183 Ca -0.08 1.14 0.06 0.00 -0.15 0.00 0.00 55.06 56.03 1qh1 s HIS 183 Cb -0.04 -3.01 0.23 0.00 1.11 0.00 0.00 32.58 30.87 1qh1 s HIS 183 CO 0.03 -0.33 0.58 0.25 -0.85 0.00 0.00 174.74 174.42 1qh1 n THR 184 N 5.06 0.71 -2.28 1.30 -2.24 -1.26 -4.94 114.28 110.62 1qh1 n THR 184 Ca 0.04 -4.51 -0.42 0.00 -2.27 0.00 0.00 64.05 56.90 1qh1 n THR 184 Cb 0.48 -2.00 -0.03 0.00 -2.10 0.00 0.00 70.33 66.68 1qh1 n THR 184 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1qh1 s PRO 185 N -1.54 4.36 0.00 -0.78 0.04 -1.26 -4.18 135.00 131.64 1qh1 s PRO 185 Ca 0.35 1.93 0.26 0.00 0.04 0.00 0.00 61.00 63.58 1qh1 s PRO 185 Cb 0.11 -3.33 1.14 0.00 0.04 0.00 0.00 34.50 32.46 1qh1 s PRO 185 CO -0.09 -0.38 1.83 -1.13 0.04 0.00 0.00 177.00 177.27 1qh1 n SER 186 N 4.12 0.00 -0.68 6.66 3.41 -1.26 -1.52 113.62 124.34 1qh1 n SER 186 Ca 0.11 0.37 0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1qh1 n SER 186 Cb 0.44 -0.45 0.15 0.00 -0.26 0.00 0.00 64.21 64.08 1qh1 n SER 186 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1qh1 n PHE 187 N -1.45 0.51 -4.64 7.33 1.16 -1.26 -4.62 117.46 114.49 1qh1 n PHE 187 Ca 0.07 -0.23 -0.27 0.00 -1.87 0.00 0.00 57.45 55.16 1qh1 n PHE 187 Cb 0.28 -0.05 -0.17 0.00 -1.61 0.00 0.00 39.48 37.93 1qh1 n PHE 187 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1qh1 s ILE 188 N -1.61 1.37 0.00 1.97 1.01 -0.58 -5.08 121.20 118.28 1qh1 s ILE 188 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1qh1 s ILE 188 Cb 0.12 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.35 1qh1 s ILE 188 CO 0.13 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1qh1 n GLY 189 N 3.90 3.10 0.00 6.18 0.00 -1.26 -4.71 105.19 112.40 1qh1 n GLY 189 Ca -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1qh1 n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qh1 n SER 190 N 3.93 0.00 0.30 1.61 3.41 -1.26 -4.88 113.62 116.73 1qh1 n SER 190 Ca 0.00 -0.58 0.16 0.00 -0.26 0.00 0.00 58.87 58.19 1qh1 n SER 190 Cb 0.00 0.00 0.96 0.00 -0.26 0.00 0.00 64.21 64.91 1qh1 n SER 190 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1qh1 h HIS 191 N 0.58 0.00 0.00 7.33 2.07 -1.36 -0.80 115.15 122.98 1qh1 h HIS 191 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1qh1 h HIS 191 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1qh1 h HIS 191 CO 0.00 0.01 -0.58 -0.39 -3.07 0.00 0.00 177.93 173.90 1qh1 h VAL 192 N 0.00 1.18 -0.43 6.12 -1.51 -1.89 -2.66 116.25 117.06 1qh1 h VAL 192 Ca -0.00 -2.18 -0.14 0.00 -1.23 0.00 0.00 66.70 63.16 1qh1 h VAL 192 Cb 0.02 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1qh1 h VAL 192 CO 0.00 0.57 -0.27 0.74 -1.23 0.00 0.00 177.57 177.38 1qh1 h THR 193 N 0.00 1.27 -0.38 7.19 2.02 -1.48 -2.77 112.91 118.77 1qh1 h THR 193 Ca -0.01 -1.43 0.06 0.00 0.77 0.00 0.00 66.41 65.80 1qh1 h THR 193 Cb 1.21 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 1qh1 h THR 193 CO 0.08 0.49 0.05 1.23 0.37 0.00 0.00 175.52 177.73 1qh1 h GLY 194 N 0.88 0.42 0.72 2.16 0.00 -1.24 -0.19 103.07 105.81 1qh1 h GLY 194 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1qh1 h GLY 194 CO 0.07 -0.05 0.20 -0.25 0.00 0.00 0.00 176.54 176.51 1qh1 h TRP 195 N 0.17 0.36 -0.31 5.60 7.01 -1.27 -1.40 115.95 126.10 1qh1 h TRP 195 Ca 0.18 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.06 1qh1 h TRP 195 Cb 0.23 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1qh1 h TRP 195 CO -0.22 0.17 -0.38 0.22 -2.79 0.00 0.00 178.44 175.45 1qh1 h ASP 196 N 0.40 0.78 -0.41 2.65 3.58 -1.29 -0.54 116.42 121.58 1qh1 h ASP 196 Ca 0.20 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 1qh1 h ASP 196 Cb 0.13 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1qh1 h ASP 196 CO -0.16 1.07 0.08 0.78 -2.88 0.00 0.00 179.24 178.13 1qh1 h ASN 197 N 0.61 0.65 -0.70 2.28 2.35 -0.93 -1.84 115.58 118.00 1qh1 h ASN 197 Ca 0.05 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1qh1 h ASN 197 Cb 0.92 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1qh1 h ASN 197 CO 0.08 0.74 0.43 -0.03 -1.65 0.00 0.00 177.43 177.00 1qh1 h MET 198 N 0.54 0.95 -0.51 0.81 4.05 -0.97 -2.32 114.93 117.47 1qh1 h MET 198 Ca 0.13 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1qh1 h MET 198 Cb 0.36 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1qh1 h MET 198 CO 0.01 0.67 0.30 0.35 0.23 0.00 0.00 176.91 178.46 1qh1 h PHE 199 N 0.95 0.69 -0.99 1.39 3.57 -0.77 -1.37 116.94 120.41 1qh1 h PHE 199 Ca 0.25 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1qh1 h PHE 199 Cb -0.04 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.41 1qh1 h PHE 199 CO -0.01 0.49 0.64 1.49 -2.23 0.00 0.00 178.31 178.69 1qh1 h GLU 200 N 0.69 1.11 -0.74 1.11 4.81 -1.17 -1.22 114.58 119.17 1qh1 h GLU 200 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1qh1 h GLU 200 Cb 0.02 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1qh1 h GLU 200 CO -0.03 0.73 0.47 0.78 -0.73 0.00 0.00 179.01 180.23 1qh1 h GLY 201 N 1.14 1.05 0.99 1.92 0.00 -0.83 0.49 103.07 107.84 1qh1 h GLY 201 Ca 0.43 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1qh1 h GLY 201 CO -0.17 0.40 0.29 0.74 0.00 0.00 0.00 176.54 177.80 1qh1 h PHE 202 N 1.00 0.89 -0.68 5.60 -1.00 -0.45 -2.03 116.94 120.28 1qh1 h PHE 202 Ca 0.27 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.93 1qh1 h PHE 202 Cb -0.08 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.18 1qh1 h PHE 202 CO -0.02 0.68 0.13 0.00 -1.61 0.00 0.00 178.31 177.49 1qh1 h ALA 203 N 1.12 0.90 -0.16 2.45 0.00 -0.80 -1.42 119.26 121.35 1qh1 h ALA 203 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qh1 h ALA 203 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qh1 h ALA 203 CO -0.03 0.65 0.10 0.87 0.00 0.00 0.00 179.25 180.84 1qh1 h LYS 204 N 1.03 0.21 -0.50 0.00 1.57 -0.76 -1.07 116.57 117.06 1qh1 h LYS 204 Ca 0.21 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1qh1 h LYS 204 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1qh1 h LYS 204 CO 0.01 0.17 0.33 1.15 -0.57 0.00 0.00 179.45 180.54 1qh1 h THR 205 N 0.19 1.12 0.00 -0.16 2.02 -1.11 -1.87 112.91 113.10 1qh1 h THR 205 Ca 0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1qh1 h THR 205 Cb 0.01 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1qh1 h THR 205 CO -0.01 0.12 -0.93 0.49 0.37 0.00 0.00 175.52 175.56 1qh1 n PHE 206 N -4.74 0.26 -0.63 3.16 3.72 -0.56 -4.65 117.46 114.02 1qh1 n PHE 206 Ca 0.03 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1qh1 n PHE 206 Cb 0.03 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 1qh1 n PHE 206 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1qh1 n THR 207 N -1.92 0.00 -0.24 4.37 -2.24 -0.41 -4.43 114.28 109.42 1qh1 n THR 207 Ca 0.02 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1qh1 n THR 207 Cb 0.42 1.63 0.08 0.00 -2.10 0.00 0.00 70.33 70.36 1qh1 n THR 207 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qh1 h ALA 208 N 0.00 0.47 -0.67 6.98 0.00 -1.40 -1.80 119.26 122.83 1qh1 h ALA 208 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qh1 h ALA 208 Cb 0.31 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qh1 h ALA 208 CO 0.00 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1qh1 n ASP 209 N -5.46 4.37 -4.72 0.00 8.00 -1.26 -4.99 116.55 112.50 1qh1 n ASP 209 Ca 0.09 -2.28 -0.41 0.00 0.71 0.00 0.00 54.79 52.90 1qh1 n ASP 209 Cb 0.36 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 1qh1 n ASP 209 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1qh1 s TYR 210 N -1.55 3.72 -1.15 1.24 5.04 -0.68 -4.96 117.35 119.00 1qh1 s TYR 210 Ca 0.49 1.70 -0.16 0.00 -2.44 0.00 0.00 57.07 56.66 1qh1 s TYR 210 Cb 0.30 -3.06 0.14 0.00 0.35 0.00 0.00 41.96 39.69 1qh1 s TYR 210 CO 0.27 0.09 1.42 -0.65 -1.34 0.00 0.00 175.55 175.35 1qh1 s GLN 211 N 0.55 3.94 0.58 4.97 -1.52 -1.26 -5.00 119.66 121.93 1qh1 s GLN 211 Ca 0.48 -2.23 -0.06 0.00 -1.95 0.00 0.00 55.36 51.60 1qh1 s GLN 211 Cb -0.22 -5.13 0.01 0.00 -0.22 0.00 0.00 33.01 27.45 1qh1 s GLN 211 CO 0.28 -1.87 0.89 0.20 -0.25 0.00 0.00 175.29 174.54 1qh1 s GLY 212 N 3.35 1.60 -0.24 3.09 0.00 -1.26 -5.05 107.32 108.81 1qh1 s GLY 212 Ca 0.43 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 1qh1 s GLY 212 CO -0.01 -0.42 0.27 1.20 0.00 0.00 0.00 173.10 174.13 1qh1 s GLN 213 N -4.98 0.26 0.27 2.90 -1.52 -1.25 -4.97 119.66 110.37 1qh1 s GLN 213 Ca 0.54 0.12 -0.31 0.00 -1.95 0.00 0.00 55.36 53.76 1qh1 s GLN 213 Cb -0.11 -0.92 -0.12 0.00 -0.22 0.00 0.00 33.01 31.64 1qh1 s GLN 213 CO 0.45 -0.79 1.61 -2.30 -0.25 0.00 0.00 175.29 174.01 1qh1 n PRO 214 N 5.32 2.66 -0.34 2.91 -0.02 -1.24 -1.78 135.00 142.51 1qh1 n PRO 214 Ca -0.04 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1qh1 n PRO 214 Cb 0.48 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1qh1 n PRO 214 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qh1 n GLY 215 N 2.50 0.90 0.34 -1.23 0.00 -0.78 -4.84 105.19 102.08 1qh1 n GLY 215 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1qh1 n GLY 215 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qh1 h LYS 216 N 3.82 1.12 -5.66 1.61 3.64 -1.02 -3.37 116.57 116.72 1qh1 h LYS 216 Ca 0.00 -0.18 -0.66 0.00 -1.27 0.00 0.00 60.65 58.54 1qh1 h LYS 216 Cb 0.00 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 31.48 1qh1 h LYS 216 CO 0.00 0.89 -0.58 -0.51 -2.27 0.00 0.00 179.45 176.98 1qh1 s LEU 217 N -9.69 3.76 -0.74 5.20 1.43 -0.56 -5.00 118.68 113.08 1qh1 s LEU 217 Ca -0.12 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1qh1 s LEU 217 Cb 0.16 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1qh1 s LEU 217 CO 0.83 0.31 2.82 -0.81 0.23 0.00 0.00 176.35 179.73 1qh1 n PRO 218 N 2.64 3.09 -4.51 1.29 -0.04 -1.26 -3.28 135.00 132.93 1qh1 n PRO 218 Ca -0.18 -2.43 -0.24 0.00 -0.04 0.00 0.00 63.50 60.61 1qh1 n PRO 218 Cb 0.53 -2.32 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1qh1 n PRO 218 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1qh1 s LYS 219 N -0.74 1.74 0.01 0.54 -2.85 -1.26 -4.22 119.74 112.95 1qh1 s LYS 219 Ca 0.60 -1.94 0.08 0.00 -1.00 0.00 0.00 55.97 53.72 1qh1 s LYS 219 Cb 0.30 -1.30 -0.02 0.00 -2.06 0.00 0.00 37.83 34.74 1qh1 s LYS 219 CO -0.13 -0.03 -0.26 -0.51 0.10 0.00 0.00 175.35 174.52 1qh1 s LEU 220 N -3.56 2.10 0.02 2.77 1.43 -0.42 -1.12 118.68 119.90 1qh1 s LEU 220 Ca 0.33 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1qh1 s LEU 220 Cb 0.07 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1qh1 s LEU 220 CO 0.15 0.28 0.27 0.20 0.23 0.00 0.00 176.35 177.48 1qh1 s ASN 221 N -0.90 6.48 0.02 2.29 0.01 -0.53 -2.24 114.94 120.07 1qh1 s ASN 221 Ca 0.10 0.54 0.09 0.00 -0.71 0.00 0.00 52.86 52.88 1qh1 s ASN 221 Cb -0.10 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 1qh1 s ASN 221 CO 0.00 0.24 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.82 1qh1 s LEU 222 N -1.84 2.11 -0.16 0.60 1.43 0.08 -0.52 118.68 120.38 1qh1 s LEU 222 Ca 0.28 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1qh1 s LEU 222 Cb -0.13 -1.29 0.04 0.00 0.03 0.00 0.00 46.19 44.84 1qh1 s LEU 222 CO 0.17 0.28 -0.07 -0.69 0.23 0.00 0.00 176.35 176.28 1qh1 s VAL 223 N -0.71 1.17 -0.13 -1.59 1.01 -0.36 -0.85 120.40 118.94 1qh1 s VAL 223 Ca 0.11 -0.61 0.16 0.00 0.00 0.00 0.00 61.98 61.64 1qh1 s VAL 223 Cb -0.10 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1qh1 s VAL 223 CO 0.01 0.19 1.08 0.71 0.00 0.00 0.00 175.10 177.09 1qh1 h THR 224 N 6.33 0.68 -0.68 3.92 1.35 -1.86 -0.84 112.91 121.82 1qh1 h THR 224 Ca -0.26 -2.12 0.01 0.00 -0.55 0.00 0.00 66.41 63.49 1qh1 h THR 224 Cb 1.11 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1qh1 h THR 224 CO 0.42 0.39 -0.02 0.61 -0.25 0.00 0.00 175.52 176.67 1qh1 n GLY 225 N 1.33 -1.77 3.61 5.82 0.00 -1.26 -4.12 105.19 108.79 1qh1 n GLY 225 Ca -0.05 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1qh1 n GLY 225 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qh1 s PHE 226 N -0.13 1.71 -0.11 1.61 2.19 -1.26 -4.96 117.98 117.03 1qh1 s PHE 226 Ca 0.00 0.55 -0.09 0.00 0.33 0.00 0.00 56.93 57.72 1qh1 s PHE 226 Cb 0.00 -4.07 0.03 0.00 -1.31 0.00 0.00 43.02 37.67 1qh1 s PHE 226 CO 0.00 -3.29 0.27 -2.00 1.83 0.00 0.00 175.22 172.04 1qh1 s GLU 227 N 5.58 0.30 -0.08 10.12 2.56 -1.26 -5.06 118.70 130.86 1qh1 s GLU 227 Ca 0.83 0.42 0.12 0.00 0.00 0.00 0.00 54.97 56.35 1qh1 s GLU 227 Cb -0.26 0.10 0.23 0.00 2.00 0.00 0.00 34.13 36.19 1qh1 s GLU 227 CO 0.34 -0.07 1.11 0.25 -0.56 0.00 0.00 175.26 176.33 1qh1 n THR 228 N 3.23 1.09 -3.82 -1.70 -2.24 -1.26 -4.93 114.28 104.65 1qh1 n THR 228 Ca -0.16 -1.50 -0.36 0.00 -2.27 0.00 0.00 64.05 59.76 1qh1 n THR 228 Cb 0.57 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1qh1 n THR 228 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qh1 s TYR 229 N -1.64 3.04 0.36 4.78 2.02 -1.26 -4.75 117.35 119.90 1qh1 s TYR 229 Ca 0.22 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1qh1 s TYR 229 Cb 0.21 -2.18 0.69 0.00 -0.40 0.00 0.00 41.96 40.28 1qh1 s TYR 229 CO -0.02 -0.47 2.02 -0.07 -1.57 0.00 0.00 175.55 175.45 1qh1 h LEU 230 N 8.18 0.67 -1.92 -1.29 3.38 -0.98 -2.23 115.31 121.12 1qh1 h LEU 230 Ca -0.39 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1qh1 h LEU 230 Cb 1.16 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1qh1 h LEU 230 CO 0.59 0.48 -0.12 1.23 0.09 0.00 0.00 178.44 180.72 1qh1 h GLY 231 N 0.79 0.00 1.31 0.83 0.00 -1.37 -2.75 103.07 101.87 1qh1 h GLY 231 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.36 1qh1 h GLY 231 CO -0.05 0.00 -0.63 3.43 0.00 0.00 0.00 176.54 179.30 1qh1 h ASN 232 N 0.00 0.81 -0.64 0.19 2.35 -1.55 0.76 115.58 117.50 1qh1 h ASN 232 Ca -0.00 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1qh1 h ASN 232 Cb 0.32 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1qh1 h ASN 232 CO 0.02 1.24 0.28 -0.26 -1.65 0.00 0.00 177.43 177.05 1qh1 h PHE 233 N 0.52 0.95 -0.10 1.19 0.04 -1.60 -2.89 116.94 115.05 1qh1 h PHE 233 Ca -0.01 -0.06 -0.17 0.00 2.80 0.00 0.00 57.97 60.53 1qh1 h PHE 233 Cb 1.22 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1qh1 h PHE 233 CO 0.06 0.73 -0.67 0.00 -0.60 0.00 0.00 178.31 177.84 1qh1 h ARG 234 N 0.89 0.41 -0.11 1.51 3.08 -1.35 -3.09 114.38 115.71 1qh1 h ARG 234 Ca 0.22 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1qh1 h ARG 234 Cb 0.16 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1qh1 h ARG 234 CO -0.02 0.93 -0.56 -0.24 -1.07 0.00 0.00 179.97 179.01 1qh1 h VAL 235 N 0.29 1.36 -0.32 2.04 3.04 -0.80 -1.37 116.25 120.48 1qh1 h VAL 235 Ca -0.02 -1.86 -0.03 0.00 -1.01 0.00 0.00 66.70 63.79 1qh1 h VAL 235 Cb 1.23 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.38 1qh1 h VAL 235 CO 0.12 0.56 0.09 -0.07 -1.01 0.00 0.00 177.57 177.26 1qh1 h LEU 236 N 0.26 0.48 -0.50 3.16 3.38 -1.50 -0.40 115.31 120.19 1qh1 h LEU 236 Ca 0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1qh1 h LEU 236 Cb 1.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1qh1 h LEU 236 CO 0.09 0.56 0.33 0.11 0.09 0.00 0.00 178.44 179.62 1qh1 h LYS 237 N 0.36 0.65 -0.46 1.13 1.57 -1.44 -0.98 116.57 117.41 1qh1 h LYS 237 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1qh1 h LYS 237 Cb 0.26 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1qh1 h LYS 237 CO -0.00 0.43 0.26 -0.09 -0.57 0.00 0.00 179.45 179.48 1qh1 h ARG 238 N 0.67 0.63 -0.53 3.15 1.12 -1.01 -1.44 114.38 116.97 1qh1 h ARG 238 Ca 0.18 -0.07 -0.07 0.00 -1.11 0.00 0.00 59.98 58.92 1qh1 h ARG 238 Cb -0.07 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 29.74 1qh1 h ARG 238 CO -0.04 0.49 0.07 0.52 -3.11 0.00 0.00 179.97 177.90 1qh1 h MET 239 N 0.60 0.88 -0.16 0.20 2.86 -0.91 -2.01 114.93 116.39 1qh1 h MET 239 Ca 0.16 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1qh1 h MET 239 Cb 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1qh1 h MET 239 CO -0.03 0.87 -0.12 0.52 1.06 0.00 0.00 176.91 179.22 1qh1 h MET 240 N 0.77 0.26 -0.27 1.72 2.86 -1.05 -1.14 114.93 118.08 1qh1 h MET 240 Ca 0.16 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1qh1 h MET 240 Cb 0.42 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1qh1 h MET 240 CO 0.01 0.38 -0.38 1.49 1.06 0.00 0.00 176.91 179.47 1qh1 h GLU 241 N 0.24 0.62 -0.35 1.72 4.22 -0.94 -1.66 114.58 118.44 1qh1 h GLU 241 Ca 0.05 -0.31 -0.08 0.00 0.08 0.00 0.00 59.36 59.10 1qh1 h GLU 241 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1qh1 h GLU 241 CO 0.02 0.91 -0.12 1.96 -2.18 0.00 0.00 179.01 179.60 1qh1 h GLN 242 N 0.52 0.60 0.00 1.92 4.20 -1.00 -0.94 115.11 120.40 1qh1 h GLN 242 Ca 0.05 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1qh1 h GLN 242 Cb 0.90 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1qh1 h GLN 242 CO 0.08 0.71 0.00 -1.33 -0.67 0.00 0.00 178.83 177.61 1qh1 n MET 243 N -4.19 0.18 -3.63 1.46 2.81 -0.46 -4.61 117.12 108.68 1qh1 n MET 243 Ca 0.01 0.27 -0.24 0.00 -1.81 0.00 0.00 57.70 55.92 1qh1 n MET 243 Cb 0.34 -1.76 0.07 0.00 -0.71 0.00 0.00 33.22 31.16 1qh1 n MET 243 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qh1 n ALA 244 N -1.72 -1.40 -3.97 3.04 0.00 -0.36 -4.84 120.51 111.26 1qh1 n ALA 244 Ca 0.04 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 1qh1 n ALA 244 Cb 0.32 -5.00 -0.15 0.00 0.00 0.00 0.00 19.45 14.62 1qh1 n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qh1 s VAL 245 N -3.33 2.36 0.42 0.00 1.01 -0.89 -5.05 120.40 114.92 1qh1 s VAL 245 Ca 0.53 -1.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1qh1 s VAL 245 Cb -0.24 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.80 1qh1 s VAL 245 CO 0.75 0.19 0.72 -2.65 0.00 0.00 0.00 175.10 174.11 1qh1 n PRO 246 N 4.56 0.84 -3.56 2.72 -0.02 -1.26 -4.62 135.00 133.66 1qh1 n PRO 246 Ca -0.17 0.30 -0.16 0.00 -2.02 0.00 0.00 63.50 61.46 1qh1 n PRO 246 Cb 0.46 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 1qh1 n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qh1 s SER 248 N -1.58 1.90 0.06 0.00 0.01 -0.95 -4.98 113.70 108.16 1qh1 s SER 248 Ca -0.09 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.65 1qh1 s SER 248 Cb -0.01 -0.37 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 1qh1 s SER 248 CO 0.04 0.16 0.66 -0.76 0.41 0.00 0.00 173.24 173.75 1qh1 s LEU 249 N -0.14 4.49 -0.47 2.44 1.43 -1.26 -0.74 118.68 124.42 1qh1 s LEU 249 Ca 0.01 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 1qh1 s LEU 249 Cb -0.09 -3.06 0.10 0.00 0.03 0.00 0.00 46.19 43.18 1qh1 s LEU 249 CO 0.01 0.15 0.36 -0.76 0.23 0.00 0.00 176.35 176.34 1qh1 s LEU 250 N -0.59 5.63 0.00 1.79 1.43 -0.03 -4.59 118.68 122.32 1qh1 s LEU 250 Ca 0.33 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1qh1 s LEU 250 Cb -0.20 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1qh1 s LEU 250 CO 0.21 -0.67 0.00 -0.24 0.23 0.00 0.00 176.35 175.87 1qh1 n SER 251 N 5.04 -1.01 -3.55 2.29 2.88 -1.26 -4.64 113.62 113.38 1qh1 n SER 251 Ca -0.11 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.14 1qh1 n SER 251 Cb 0.42 -0.50 -0.14 0.00 -0.75 0.00 0.00 64.21 63.23 1qh1 n SER 251 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qh1 s ASP 252 N 0.00 3.50 -0.01 -3.46 -1.08 -0.18 -4.76 116.67 110.68 1qh1 s ASP 252 Ca 0.00 -1.53 0.15 0.00 -0.52 0.00 0.00 52.55 50.64 1qh1 s ASP 252 Cb 0.00 -0.44 0.44 0.00 -1.46 0.00 0.00 42.92 41.46 1qh1 s ASP 252 CO 0.00 -0.41 1.36 -0.81 0.52 0.00 0.00 175.17 175.83 1qh1 n PRO 253 N 4.93 2.24 0.26 4.34 -0.04 -1.26 -3.85 135.00 141.62 1qh1 n PRO 253 Ca -0.02 -1.78 0.17 0.00 -0.04 0.00 0.00 63.50 61.83 1qh1 n PRO 253 Cb 0.41 -1.43 0.69 0.00 -0.04 0.00 0.00 33.50 33.14 1qh1 n PRO 253 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qh1 h SER 254 N 2.84 0.00 0.27 3.54 4.64 -1.93 -1.51 113.55 121.40 1qh1 h SER 254 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1qh1 h SER 254 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1qh1 h SER 254 CO 0.02 0.00 -1.69 -0.33 -0.87 0.00 0.00 176.83 173.96 1qh1 h GLU 255 N 0.00 0.35 0.00 4.77 4.39 -1.80 -3.33 114.58 118.95 1qh1 h GLU 255 Ca 0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1qh1 h GLU 255 Cb 0.45 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1qh1 h GLU 255 CO 0.00 1.24 0.00 1.55 -1.16 0.00 0.00 179.01 180.64 1qh1 n VAL 256 N -3.54 0.65 -0.54 3.13 3.14 -1.09 -1.97 118.33 118.12 1qh1 n VAL 256 Ca -0.22 -0.11 0.07 0.00 -2.96 0.00 0.00 64.34 61.12 1qh1 n VAL 256 Cb 1.07 -0.77 0.34 0.00 -1.06 0.00 0.00 33.84 33.42 1qh1 n VAL 256 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1qh1 n LEU 257 N -2.22 4.83 -2.69 6.55 4.77 -0.59 -4.36 117.00 123.29 1qh1 n LEU 257 Ca 0.04 -2.45 -0.05 0.00 -0.03 0.00 0.00 56.01 53.53 1qh1 n LEU 257 Cb 0.36 -0.62 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1qh1 n LEU 257 CO 0.27 0.62 0.48 -0.67 -1.33 0.00 0.00 177.39 176.76 1qh1 n ASP 258 N 0.67 -1.28 -4.79 -1.43 2.03 -0.83 -4.94 116.55 105.98 1qh1 n ASP 258 Ca 0.24 -2.36 -0.34 0.00 0.52 0.00 0.00 54.79 52.85 1qh1 n ASP 258 Cb 0.99 0.69 -0.00 0.00 -0.72 0.00 0.00 41.12 42.07 1qh1 n ASP 258 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1qh1 s THR 259 N -0.32 3.67 0.44 5.18 -4.23 -1.19 -4.96 115.64 114.23 1qh1 s THR 259 Ca 0.18 0.91 -0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1qh1 s THR 259 Cb 0.42 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.81 1qh1 s THR 259 CO -0.09 -0.35 1.15 -2.16 -0.54 0.00 0.00 174.62 172.63 1qh1 s PRO 260 N -3.66 3.88 -0.97 3.99 0.04 -1.26 -4.97 135.00 132.05 1qh1 s PRO 260 Ca 0.66 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 63.28 1qh1 s PRO 260 Cb -0.18 -2.49 0.14 0.00 0.04 0.00 0.00 34.50 32.02 1qh1 s PRO 260 CO 0.30 -0.44 1.16 0.00 0.04 0.00 0.00 177.00 178.05 1qh1 s ALA 261 N -1.53 3.50 -0.07 8.56 0.00 -1.26 -4.76 121.76 126.20 1qh1 s ALA 261 Ca 0.61 -2.89 0.10 0.00 0.00 0.00 0.00 51.96 49.78 1qh1 s ALA 261 Cb -0.28 -4.03 0.15 0.00 0.00 0.00 0.00 23.12 18.95 1qh1 s ALA 261 CO 0.35 -2.92 1.04 -0.40 0.00 0.00 0.00 175.76 173.83 1qh1 n ASP 262 N 6.28 1.57 0.00 0.00 5.75 -1.26 -4.97 116.55 123.92 1qh1 n ASP 262 Ca 0.25 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1qh1 n ASP 262 Cb 0.48 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1qh1 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qh1 n GLY 263 N -0.83 0.38 3.21 6.12 0.00 -1.26 -5.08 105.19 107.73 1qh1 n GLY 263 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1qh1 n GLY 263 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qh1 s HIS 264 N -2.09 1.76 -0.22 1.61 3.76 -1.26 -5.13 115.29 113.73 1qh1 s HIS 264 Ca 0.00 -0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1qh1 s HIS 264 Cb 0.00 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.52 1qh1 s HIS 264 CO 0.00 -0.00 0.17 -0.47 -0.85 0.00 0.00 174.74 173.58 1qh1 s TYR 265 N -0.54 3.36 -0.36 1.40 5.04 -1.26 -4.90 117.35 120.10 1qh1 s TYR 265 Ca 0.07 0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 1qh1 s TYR 265 Cb -0.08 -2.24 0.09 0.00 0.35 0.00 0.00 41.96 40.08 1qh1 s TYR 265 CO -0.00 0.16 0.10 1.03 -1.34 0.00 0.00 175.55 175.50 1qh1 s ARG 266 N 0.76 2.08 0.21 4.97 0.52 -1.26 -4.98 118.95 121.24 1qh1 s ARG 266 Ca 0.09 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 53.61 1qh1 s ARG 266 Cb -0.13 -3.36 0.15 0.00 0.52 0.00 0.00 34.95 32.13 1qh1 s ARG 266 CO 0.02 -0.88 1.67 1.98 0.02 0.00 0.00 175.30 178.11 1qh1 h MET 267 N 7.96 0.96 -6.34 3.54 1.85 -1.97 -3.43 114.93 117.50 1qh1 h MET 267 Ca -0.15 -0.31 -0.68 0.00 -0.61 0.00 0.00 59.70 57.95 1qh1 h MET 267 Cb 1.05 -0.09 -0.21 0.00 0.43 0.00 0.00 31.60 32.78 1qh1 h MET 267 CO 0.60 0.97 -0.75 0.71 -0.40 0.00 0.00 176.91 178.05 1qh1 s TYR 268 N -4.95 2.75 -0.28 1.39 2.02 -1.26 -4.90 117.35 112.12 1qh1 s TYR 268 Ca -0.11 -0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.31 1qh1 s TYR 268 Cb 0.14 -1.60 0.08 0.00 -0.40 0.00 0.00 41.96 40.18 1qh1 s TYR 268 CO 0.84 0.27 0.70 0.45 -1.57 0.00 0.00 175.55 176.24 1qh1 s SER 269 N -1.05 -0.93 0.89 2.29 0.15 -1.26 -5.01 113.70 108.77 1qh1 s SER 269 Ca 0.14 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1qh1 s SER 269 Cb -0.11 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1qh1 s SER 269 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1qh1 n GLY 270 N 4.32 2.25 0.00 9.45 0.00 -1.26 -2.97 105.19 116.97 1qh1 n GLY 270 Ca -0.20 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1qh1 n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh1 n GLY 271 N 0.00 0.42 3.71 -0.02 0.00 -1.25 -3.85 105.19 104.20 1qh1 n GLY 271 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1qh1 n GLY 271 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qh1 n THR 272 N 0.51 0.11 -1.90 2.61 -1.04 -0.26 -4.26 114.28 110.05 1qh1 n THR 272 Ca 0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 1qh1 n THR 272 Cb 0.00 -1.92 0.06 0.00 -1.82 0.00 0.00 70.33 66.64 1qh1 n THR 272 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qh1 s THR 273 N 1.01 3.04 0.21 12.58 -4.23 -1.26 -0.68 115.64 126.30 1qh1 s THR 273 Ca 0.74 0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 61.48 1qh1 s THR 273 Cb -0.53 -3.33 0.15 0.00 1.34 0.00 0.00 72.50 70.13 1qh1 s THR 273 CO 0.35 -0.44 1.86 1.56 -0.54 0.00 0.00 174.62 177.41 1qh1 h GLN 274 N -0.77 1.02 -0.85 3.99 4.20 -1.94 -2.12 115.11 118.64 1qh1 h GLN 274 Ca -0.45 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.19 1qh1 h GLN 274 Cb 1.28 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 1qh1 h GLN 274 CO 0.64 0.71 0.56 0.37 -0.67 0.00 0.00 178.83 180.45 1qh1 h GLN 275 N 1.04 1.07 -0.69 1.46 5.75 -1.98 0.57 115.11 122.33 1qh1 h GLN 275 Ca 0.27 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1qh1 h GLN 275 Cb -0.06 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 1qh1 h GLN 275 CO -0.05 0.71 0.13 0.93 -2.65 0.00 0.00 178.83 177.90 1qh1 h GLU 276 N 1.11 1.13 -0.13 1.69 5.08 -1.83 -1.36 114.58 120.26 1qh1 h GLU 276 Ca 0.33 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1qh1 h GLU 276 Cb -0.05 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.07 1qh1 h GLU 276 CO -0.09 1.02 -0.77 1.98 -1.00 0.00 0.00 179.01 180.15 1qh1 h MET 277 N 1.06 0.69 -0.03 2.33 4.05 -0.80 -2.56 114.93 119.67 1qh1 h MET 277 Ca 0.21 -0.57 -0.07 0.00 -0.28 0.00 0.00 59.70 58.99 1qh1 h MET 277 Cb 0.42 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1qh1 h MET 277 CO 0.01 1.18 -0.32 0.87 0.23 0.00 0.00 176.91 178.89 1qh1 h LYS 278 N 0.47 0.05 -0.13 0.39 1.57 -0.68 -2.81 116.57 115.43 1qh1 h LYS 278 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qh1 h LYS 278 Cb 1.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1qh1 h LYS 278 CO 0.15 0.36 0.00 -0.85 -0.57 0.00 0.00 179.45 178.54 1qh1 n GLU 279 N -4.15 2.23 -0.12 3.15 0.28 -0.53 -4.48 120.64 117.03 1qh1 n GLU 279 Ca -0.02 -1.82 0.16 0.00 -0.16 0.00 0.00 57.16 55.33 1qh1 n GLU 279 Cb 0.37 -1.47 0.55 0.00 1.43 0.00 0.00 31.44 32.31 1qh1 n GLU 279 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qh1 h ALA 280 N 4.56 2.19 0.00 -1.84 0.00 -1.18 -0.16 119.26 122.83 1qh1 h ALA 280 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qh1 h ALA 280 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1qh1 h ALA 280 CO 0.00 -0.37 0.00 -1.35 0.00 0.00 0.00 179.25 177.53 1qh1 h PRO 281 N 0.32 0.00 -0.01 0.00 0.11 -1.81 -1.46 132.00 129.16 1qh1 h PRO 281 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1qh1 h PRO 281 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1qh1 h PRO 281 CO -0.09 0.00 -0.15 -0.25 -0.21 0.00 0.00 178.00 177.30 1qh1 n ASP 282 N -2.64 0.85 -4.74 -2.05 8.00 -0.07 -3.62 116.55 112.27 1qh1 n ASP 282 Ca 0.01 -0.86 -0.29 0.00 0.71 0.00 0.00 54.79 54.35 1qh1 n ASP 282 Cb 0.25 0.03 0.13 0.00 -0.02 0.00 0.00 41.12 41.52 1qh1 n ASP 282 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qh1 s ALA 283 N -2.40 1.67 0.20 2.24 0.00 -0.55 -1.50 121.76 121.42 1qh1 s ALA 283 Ca 0.29 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1qh1 s ALA 283 Cb 0.20 -3.13 0.14 0.00 0.00 0.00 0.00 23.12 20.33 1qh1 s ALA 283 CO 0.47 -2.26 1.86 0.82 0.00 0.00 0.00 175.76 176.65 1qh1 h ILE 284 N -1.48 1.15 -2.32 0.00 2.04 -1.11 -2.53 117.51 113.27 1qh1 h ILE 284 Ca -0.50 -0.31 0.18 0.00 1.00 0.00 0.00 64.86 65.23 1qh1 h ILE 284 Cb 1.29 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1qh1 h ILE 284 CO 0.57 0.17 0.52 -0.62 0.00 0.00 0.00 178.15 178.79 1qh1 s ASP 285 N -5.80 -0.13 -0.13 1.72 2.15 -1.25 -4.56 116.67 108.67 1qh1 s ASP 285 Ca -0.13 -0.45 0.01 0.00 0.43 0.00 0.00 52.55 52.41 1qh1 s ASP 285 Cb 0.14 0.47 0.02 0.00 -0.30 0.00 0.00 42.92 43.26 1qh1 s ASP 285 CO 0.77 -0.89 -0.14 -0.89 -0.17 0.00 0.00 175.17 173.85 1qh1 s THR 286 N -3.03 1.49 -0.31 1.71 2.01 -1.26 -1.45 115.64 114.80 1qh1 s THR 286 Ca 0.14 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 1qh1 s THR 286 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1qh1 s THR 286 CO 0.03 0.44 0.29 -0.76 -0.69 0.00 0.00 174.62 173.93 1qh1 s LEU 287 N 1.33 4.28 -0.60 4.42 1.43 0.32 -4.40 118.68 125.46 1qh1 s LEU 287 Ca 0.01 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 1qh1 s LEU 287 Cb -0.14 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 43.92 1qh1 s LEU 287 CO -0.07 -0.22 0.75 -0.76 0.23 0.00 0.00 176.35 176.28 1qh1 s LEU 288 N 1.90 5.16 0.21 1.79 1.43 -1.26 -1.23 118.68 126.68 1qh1 s LEU 288 Ca 0.10 -1.30 0.26 0.00 -1.03 0.00 0.00 54.13 52.16 1qh1 s LEU 288 Cb -0.16 -2.34 0.76 0.00 0.03 0.00 0.00 46.19 44.47 1qh1 s LEU 288 CO 0.11 -1.16 1.74 0.18 0.23 0.00 0.00 176.35 177.45 1qh1 n LEU 289 N 6.58 0.84 -3.87 1.79 4.77 -0.32 -3.89 117.00 122.90 1qh1 n LEU 289 Ca -0.08 0.55 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 1qh1 n LEU 289 Cb 0.43 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1qh1 n LEU 289 CO 0.59 -0.18 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.21 1qh1 s GLN 290 N -3.11 1.93 0.31 3.23 -0.21 -1.26 -3.53 119.66 117.01 1qh1 s GLN 290 Ca 0.10 -2.67 0.08 0.00 0.02 0.00 0.00 55.36 52.89 1qh1 s GLN 290 Cb 0.12 -3.09 0.49 0.00 1.00 0.00 0.00 33.01 31.54 1qh1 s GLN 290 CO 0.61 -1.17 1.72 -1.00 -2.12 0.00 0.00 175.29 173.32 1qh1 h PRO 291 N 6.23 0.19 -0.06 2.91 0.13 -1.83 -2.67 132.00 136.91 1qh1 h PRO 291 Ca 0.00 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 1qh1 h PRO 291 Cb 0.86 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1qh1 h PRO 291 CO 0.65 0.58 -0.28 -1.49 -0.23 0.00 0.00 178.00 177.22 1qh1 h TRP 292 N 0.16 0.11 0.00 1.56 4.06 -1.95 -3.20 115.95 116.70 1qh1 h TRP 292 Ca 0.01 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1qh1 h TRP 292 Cb 0.80 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1qh1 h TRP 292 CO 0.01 0.38 -1.55 0.00 -3.56 0.00 0.00 178.44 173.72 1qh1 n GLN 293 N -4.17 0.41 -1.58 0.49 10.64 -1.14 -4.59 117.38 117.46 1qh1 n GLN 293 Ca -0.02 -0.11 -0.30 0.00 -1.83 0.00 0.00 57.00 54.75 1qh1 n GLN 293 Cb 0.36 -1.53 -0.05 0.00 -0.86 0.00 0.00 30.24 28.15 1qh1 n GLN 293 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1qh1 n LEU 294 N -2.01 6.90 0.02 2.61 4.77 -1.02 -4.64 117.00 123.64 1qh1 n LEU 294 Ca -0.01 -4.22 -0.10 0.00 -0.03 0.00 0.00 56.01 51.64 1qh1 n LEU 294 Cb 0.48 -1.31 -0.08 0.00 -2.33 0.00 0.00 43.42 40.18 1qh1 n LEU 294 CO 0.44 1.84 0.37 -0.07 -1.33 0.00 0.00 177.39 178.65 1qh1 h LEU 295 N 4.67 -0.12 -0.80 2.23 3.38 -1.81 -2.03 115.31 120.82 1qh1 h LEU 295 Ca 0.48 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1qh1 h LEU 295 Cb 0.67 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1qh1 h LEU 295 CO 1.02 0.51 -0.55 0.11 0.09 0.00 0.00 178.44 179.62 1qh1 h LYS 296 N -0.87 0.00 -0.16 1.13 1.57 -1.88 -2.86 116.57 113.49 1qh1 h LYS 296 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1qh1 h LYS 296 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1qh1 h LYS 296 CO 0.02 0.55 -0.17 0.77 -0.57 0.00 0.00 179.45 180.05 1qh1 h SER 297 N 0.00 0.26 0.01 0.86 0.02 -1.81 0.05 113.55 112.94 1qh1 h SER 297 Ca -0.01 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 1qh1 h SER 297 Cb 1.04 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1qh1 h SER 297 CO 0.07 0.46 -0.34 0.50 -1.14 0.00 0.00 176.83 176.38 1qh1 h LYS 298 N 0.26 0.46 -0.34 3.45 3.64 -1.14 -1.87 116.57 121.03 1qh1 h LYS 298 Ca 0.05 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1qh1 h LYS 298 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1qh1 h LYS 298 CO 0.03 0.75 -0.26 0.87 -2.27 0.00 0.00 179.45 178.56 1qh1 h LYS 299 N 0.40 0.69 0.23 1.90 1.57 -1.30 -1.38 116.57 118.67 1qh1 h LYS 299 Ca 0.05 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1qh1 h LYS 299 Cb 0.79 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1qh1 h LYS 299 CO 0.06 0.88 -0.27 0.28 -0.57 0.00 0.00 179.45 179.84 1qh1 h VAL 300 N 0.60 0.43 -0.33 0.50 2.07 -0.53 0.23 116.25 119.21 1qh1 h VAL 300 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1qh1 h VAL 300 Cb 0.76 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1qh1 h VAL 300 CO 0.06 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.36 1qh1 h VAL 301 N -0.54 0.93 0.17 2.57 2.07 -1.00 -1.33 116.25 119.12 1qh1 h VAL 301 Ca 0.00 -0.10 -0.29 0.00 0.82 0.00 0.00 66.70 67.14 1qh1 h VAL 301 Cb 0.52 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1qh1 h VAL 301 CO -0.08 0.05 -1.38 1.56 0.02 0.00 0.00 177.57 177.74 1qh1 h GLN 302 N 0.29 0.36 0.11 1.57 4.20 -1.23 -1.94 115.11 118.46 1qh1 h GLN 302 Ca 0.15 -0.61 -0.31 0.00 0.06 0.00 0.00 58.65 57.94 1qh1 h GLN 302 Cb 0.10 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1qh1 h GLN 302 CO -0.14 1.29 -1.64 0.93 -0.67 0.00 0.00 178.83 178.60 1qh1 h GLU 303 N -0.13 0.24 0.00 1.46 5.08 -0.61 -2.41 114.58 118.21 1qh1 h GLU 303 Ca -0.27 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.67 1qh1 h GLU 303 Cb 1.90 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1qh1 h GLU 303 CO 0.15 1.20 -0.07 0.52 -1.00 0.00 0.00 179.01 179.81 1qh1 h MET 304 N -0.21 0.00 -0.01 2.33 2.86 -1.36 -3.40 114.93 115.14 1qh1 h MET 304 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1qh1 h MET 304 Cb 1.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1qh1 h MET 304 CO 0.05 0.93 -0.52 0.91 1.06 0.00 0.00 176.91 179.34 1qh1 n TRP 305 N -4.61 0.00 -3.19 -0.22 8.01 -0.57 -4.97 117.44 111.88 1qh1 n TRP 305 Ca -0.11 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.86 1qh1 n TRP 305 Cb 0.46 -0.11 0.02 0.00 -2.01 0.00 0.00 31.31 29.67 1qh1 n TRP 305 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1qh1 n ASN 306 N -0.92 -4.92 -4.95 -0.99 3.02 -0.91 -4.69 115.26 100.90 1qh1 n ASN 306 Ca 0.08 -0.34 -0.21 0.00 -0.03 0.00 0.00 54.58 54.09 1qh1 n ASN 306 Cb 0.37 -4.01 -0.02 0.00 -0.61 0.00 0.00 39.78 35.50 1qh1 n ASN 306 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qh1 s GLN 307 N -5.86 3.35 0.30 3.52 -0.21 -0.78 -4.86 119.66 115.12 1qh1 s GLN 307 Ca 0.35 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.89 1qh1 s GLN 307 Cb -0.17 -2.84 0.43 0.00 1.00 0.00 0.00 33.01 31.43 1qh1 s GLN 307 CO 0.43 0.39 1.96 -1.35 -2.12 0.00 0.00 175.29 174.60 1qh1 h PRO 308 N 1.19 1.08 -5.87 2.91 0.11 -1.85 -3.36 132.00 126.20 1qh1 h PRO 308 Ca -0.51 -0.08 -0.37 0.00 0.11 0.00 0.00 66.00 65.16 1qh1 h PRO 308 Cb 1.23 -0.24 0.12 0.00 0.11 0.00 0.00 31.00 32.22 1qh1 h PRO 308 CO 0.60 0.73 -0.84 0.00 -0.21 0.00 0.00 178.00 178.28 1qh1 n ALA 309 N -2.41 -2.18 -1.69 -0.75 0.00 -1.26 -4.83 120.51 107.39 1qh1 n ALA 309 Ca 0.09 -0.09 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 1qh1 n ALA 309 Cb 0.04 -3.11 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 1qh1 n ALA 309 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qh1 n THR 310 N -4.02 0.29 -2.00 0.00 -1.04 -1.26 -4.84 114.28 101.41 1qh1 n THR 310 Ca -0.23 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 1qh1 n THR 310 Cb 0.65 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 1qh1 n THR 310 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qh1 s GLU 311 N 3.04 4.25 0.01 -2.82 2.02 -1.26 -4.66 118.70 119.28 1qh1 s GLU 311 Ca 0.95 2.30 0.03 0.00 0.02 0.00 0.00 54.97 58.26 1qh1 s GLU 311 Cb -0.98 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 1qh1 s GLU 311 CO 0.60 -0.52 -0.08 0.14 0.02 0.00 0.00 175.26 175.42 1qh1 s VAL 312 N 0.73 0.64 0.53 2.63 -7.23 -1.26 -5.11 120.40 111.33 1qh1 s VAL 312 Ca 0.65 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 1qh1 s VAL 312 Cb -0.42 -0.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 1qh1 s VAL 312 CO 0.35 -0.00 0.98 0.00 -0.31 0.00 0.00 175.10 176.12 1qh1 s ALA 313 N -0.57 3.10 0.15 1.32 0.00 -1.26 -4.66 121.76 119.84 1qh1 s ALA 313 Ca -0.01 0.07 -0.34 0.00 0.00 0.00 0.00 51.96 51.69 1qh1 s ALA 313 Cb -0.05 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 1qh1 s ALA 313 CO 0.00 -0.33 1.51 1.51 0.00 0.00 0.00 175.76 178.45 1qh1 n ILE 314 N -1.86 0.10 -1.14 0.00 3.06 -1.23 -4.79 119.36 113.50 1qh1 n ILE 314 Ca 0.06 -0.02 -0.29 0.00 -2.50 0.00 0.00 62.75 60.00 1qh1 n ILE 314 Cb 0.54 -1.38 -0.07 0.00 0.54 0.00 0.00 39.64 39.27 1qh1 n ILE 314 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1qh1 n PRO 315 N 3.09 2.97 -3.89 9.51 -0.04 -1.26 -4.83 135.00 140.55 1qh1 n PRO 315 Ca 0.17 -1.73 -0.35 0.00 -0.04 0.00 0.00 63.50 61.55 1qh1 n PRO 315 Cb 0.27 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.09 1qh1 n PRO 315 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1qh1 s LEU 316 N 0.11 3.21 0.00 1.53 0.20 -1.26 -1.27 118.68 121.20 1qh1 s LEU 316 Ca 0.65 -0.64 0.00 0.00 0.69 0.00 0.00 54.13 54.83 1qh1 s LEU 316 Cb 0.21 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 44.23 1qh1 s LEU 316 CO -0.04 -0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 1qh1 n GLY 317 N 4.77 0.59 0.16 7.98 0.00 -1.26 -4.45 105.19 112.98 1qh1 n GLY 317 Ca -0.17 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.58 1qh1 n GLY 317 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qh1 h LEU 318 N 0.00 -0.26 -1.39 0.99 5.85 -1.96 -2.82 115.31 115.73 1qh1 h LEU 318 Ca 0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1qh1 h LEU 318 Cb 0.00 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1qh1 h LEU 318 CO 0.00 0.26 0.09 0.00 -0.34 0.00 0.00 178.44 178.45 1qh1 h ALA 319 N -0.73 1.51 0.00 1.25 0.00 -2.00 -0.96 119.26 118.34 1qh1 h ALA 319 Ca -0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1qh1 h ALA 319 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1qh1 h ALA 319 CO 0.05 0.36 -0.67 0.00 0.00 0.00 0.00 179.25 179.00 1qh1 h ALA 320 N 1.61 0.77 -0.13 0.00 0.00 -1.78 -0.54 119.26 119.19 1qh1 h ALA 320 Ca 0.12 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1qh1 h ALA 320 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qh1 h ALA 320 CO -0.00 0.84 -0.42 1.15 0.00 0.00 0.00 179.25 180.81 1qh1 h THR 321 N 0.00 1.36 -0.48 0.00 2.02 -1.18 -2.03 112.91 112.60 1qh1 h THR 321 Ca -0.01 -1.72 0.09 0.00 0.77 0.00 0.00 66.41 65.55 1qh1 h THR 321 Cb 1.28 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 69.70 1qh1 h THR 321 CO 0.09 0.52 -0.03 0.44 0.37 0.00 0.00 175.52 176.90 1qh1 h ASP 322 N 0.12 -0.26 -0.63 4.18 3.32 -0.72 -1.51 116.42 120.92 1qh1 h ASP 322 Ca -0.02 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1qh1 h ASP 322 Cb 1.04 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1qh1 h ASP 322 CO 0.09 -0.09 0.29 -0.33 -1.72 0.00 0.00 179.24 177.48 1qh1 h GLU 323 N 0.08 0.94 0.08 3.56 5.08 -1.05 -0.26 114.58 123.02 1qh1 h GLU 323 Ca 0.24 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1qh1 h GLU 323 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1qh1 h GLU 323 CO -0.43 0.75 -0.09 1.25 -1.00 0.00 0.00 179.01 179.49 1qh1 h LEU 324 N 0.94 -0.24 -1.06 1.33 5.85 -0.97 -0.25 115.31 120.90 1qh1 h LEU 324 Ca 0.23 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1qh1 h LEU 324 Cb 0.13 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qh1 h LEU 324 CO -0.03 -0.14 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.46 1qh1 h LEU 325 N -0.19 0.14 -0.74 2.25 3.38 -1.02 -0.55 115.31 118.56 1qh1 h LEU 325 Ca 0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1qh1 h LEU 325 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1qh1 h LEU 325 CO -0.04 0.53 -0.47 0.24 0.09 0.00 0.00 178.44 178.79 1qh1 h MET 326 N 0.11 0.37 -0.25 1.13 2.86 -0.78 -0.68 114.93 117.69 1qh1 h MET 326 Ca 0.01 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 1qh1 h MET 326 Cb 0.76 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1qh1 h MET 326 CO 0.06 0.77 -0.16 1.15 1.06 0.00 0.00 176.91 179.79 1qh1 h THR 327 N 0.29 1.31 -0.38 2.22 2.02 -0.61 -0.24 112.91 117.52 1qh1 h THR 327 Ca 0.02 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.96 1qh1 h THR 327 Cb 0.95 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1qh1 h THR 327 CO 0.08 0.40 0.18 0.58 0.37 0.00 0.00 175.52 177.13 1qh1 h VAL 328 N 0.27 0.97 -0.17 3.16 2.07 -0.97 -0.63 116.25 120.95 1qh1 h VAL 328 Ca 0.05 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1qh1 h VAL 328 Cb 0.68 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1qh1 h VAL 328 CO 0.04 0.07 -0.01 -1.28 0.02 0.00 0.00 177.57 176.41 1qh1 h SER 329 N 0.38 -0.09 -0.46 0.57 0.87 -0.96 -2.19 113.55 111.67 1qh1 h SER 329 Ca 0.16 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1qh1 h SER 329 Cb 0.08 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1qh1 h SER 329 CO -0.12 -0.02 0.13 -0.61 -0.53 0.00 0.00 176.83 175.67 1qh1 h GLN 330 N 0.04 0.72 -0.35 2.24 4.15 -0.79 -0.05 115.11 121.07 1qh1 h GLN 330 Ca 0.08 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1qh1 h GLN 330 Cb 0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1qh1 h GLN 330 CO -0.14 0.70 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.13 1qh1 h LEU 331 N 0.61 0.72 0.01 -2.39 3.38 -1.10 -3.27 115.31 113.27 1qh1 h LEU 331 Ca 0.15 -0.27 -0.27 0.00 0.09 0.00 0.00 57.88 57.57 1qh1 h LEU 331 Cb 0.29 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1qh1 h LEU 331 CO -0.00 0.95 -1.53 0.77 0.09 0.00 0.00 178.44 178.72 1qh1 h SER 332 N 0.61 0.04 0.00 -0.43 4.64 -1.42 -3.48 113.55 113.51 1qh1 h SER 332 Ca 0.08 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1qh1 h SER 332 Cb 0.76 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1qh1 h SER 332 CO 0.06 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 1qh1 n GLY 333 N 1.53 0.49 3.89 -0.77 0.00 -0.04 -5.03 105.19 105.25 1qh1 n GLY 333 Ca -0.13 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1qh1 n GLY 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qh1 s LYS 334 N -0.46 3.37 0.65 1.61 1.02 -1.17 -5.03 119.74 119.73 1qh1 s LYS 334 Ca 0.00 -0.41 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 1qh1 s LYS 334 Cb 0.00 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1qh1 s LYS 334 CO 0.00 0.64 1.06 -1.25 -0.92 0.00 0.00 175.35 174.88 1qh1 s PRO 335 N -2.18 3.09 0.10 -1.68 0.04 -1.26 -4.38 135.00 128.74 1qh1 s PRO 335 Ca 0.30 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1qh1 s PRO 335 Cb -0.13 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1qh1 s PRO 335 CO 0.22 -0.98 1.29 0.42 0.04 0.00 0.00 177.00 177.99 1qh1 s ILE 336 N -2.73 3.64 0.37 0.56 1.01 -1.26 -4.91 121.20 117.88 1qh1 s ILE 336 Ca 0.61 1.19 -0.28 0.00 0.00 0.00 0.00 60.65 62.17 1qh1 s ILE 336 Cb -0.15 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 1qh1 s ILE 336 CO 0.46 0.10 1.46 0.00 0.00 0.00 0.00 174.94 176.96 1qh1 n ALA 337 N 3.83 2.24 0.25 9.38 0.00 -1.26 -4.87 120.51 130.08 1qh1 n ALA 337 Ca 0.10 0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.96 1qh1 n ALA 337 Cb 0.44 -2.40 0.63 0.00 0.00 0.00 0.00 19.45 18.12 1qh1 n ALA 337 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qh1 h ASP 338 N 2.90 0.00 0.20 0.00 3.32 -1.93 -0.84 116.42 120.08 1qh1 h ASP 338 Ca -0.50 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.44 1qh1 h ASP 338 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1qh1 h ASP 338 CO 0.64 0.06 -0.42 0.00 -1.72 0.00 0.00 179.24 177.79 1qh1 h ALA 339 N 1.94 1.05 -0.17 3.45 0.00 -1.95 -1.05 119.26 122.53 1qh1 h ALA 339 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1qh1 h ALA 339 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qh1 h ALA 339 CO 0.01 0.61 -0.37 -0.07 0.00 0.00 0.00 179.25 179.43 1qh1 h LEU 340 N 0.24 0.63 -1.54 0.00 3.38 -1.54 -1.52 115.31 114.96 1qh1 h LEU 340 Ca 0.02 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1qh1 h LEU 340 Cb 0.85 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1qh1 h LEU 340 CO 0.07 1.07 0.11 0.74 0.09 0.00 0.00 178.44 180.51 1qh1 h THR 341 N 0.21 1.12 -0.40 0.22 2.02 -0.98 0.04 112.91 115.15 1qh1 h THR 341 Ca 0.00 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1qh1 h THR 341 Cb 0.97 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1qh1 h THR 341 CO 0.08 0.15 -0.03 0.25 0.37 0.00 0.00 175.52 176.34 1qh1 h LEU 342 N 0.41 0.71 -0.47 2.58 5.85 -1.16 -1.82 115.31 121.41 1qh1 h LEU 342 Ca 0.10 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1qh1 h LEU 342 Cb 0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1qh1 h LEU 342 CO -0.01 0.87 0.30 -0.08 -0.34 0.00 0.00 178.44 179.17 1qh1 h GLU 343 N 0.54 0.63 -0.37 1.25 4.81 -0.89 -1.75 114.58 118.80 1qh1 h GLU 343 Ca 0.11 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1qh1 h GLU 343 Cb 0.52 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1qh1 h GLU 343 CO 0.03 0.44 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.60 1qh1 h ARG 344 N 0.63 0.04 -0.15 1.92 2.43 -0.83 -1.64 114.38 116.78 1qh1 h ARG 344 Ca 0.17 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1qh1 h ARG 344 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1qh1 h ARG 344 CO -0.03 0.03 -0.05 0.78 -1.51 0.00 0.00 179.97 179.18 1qh1 h GLY 345 N 0.04 0.24 1.34 2.80 0.00 -0.60 -1.23 103.07 105.67 1qh1 h GLY 345 Ca 0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1qh1 h GLY 345 CO -0.34 0.12 -0.46 3.21 0.00 0.00 0.00 176.54 179.06 1qh1 h ARG 346 N 0.22 0.71 -0.65 4.80 3.08 -0.88 -1.24 114.38 120.41 1qh1 h ARG 346 Ca 0.05 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1qh1 h ARG 346 Cb 0.24 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1qh1 h ARG 346 CO 0.01 1.02 0.34 1.25 -1.07 0.00 0.00 179.97 181.52 1qh1 h LEU 347 N 0.56 0.82 -0.65 3.04 5.85 -0.71 -1.06 115.31 123.17 1qh1 h LEU 347 Ca 0.03 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1qh1 h LEU 347 Cb 1.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1qh1 h LEU 347 CO 0.10 0.70 0.18 0.58 -0.34 0.00 0.00 178.44 179.66 1qh1 h VAL 348 N 0.89 1.25 -0.69 1.05 2.07 -1.18 -0.90 116.25 118.74 1qh1 h VAL 348 Ca 0.23 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1qh1 h VAL 348 Cb 0.07 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1qh1 h VAL 348 CO -0.03 0.34 0.36 -0.78 0.02 0.00 0.00 177.57 177.48 1qh1 h ASP 349 N 0.94 0.49 -0.57 0.57 3.58 -0.84 -0.20 116.42 120.40 1qh1 h ASP 349 Ca 0.21 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.72 1qh1 h ASP 349 Cb 0.33 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1qh1 h ASP 349 CO -0.00 0.30 0.36 0.24 -2.88 0.00 0.00 179.24 177.26 1qh1 h MET 350 N 0.63 0.71 -0.16 0.28 2.86 -0.70 0.22 114.93 118.77 1qh1 h MET 350 Ca 0.33 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1qh1 h MET 350 Cb 0.29 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1qh1 h MET 350 CO -0.23 0.47 0.10 0.52 1.06 0.00 0.00 176.91 178.82 1qh1 h MET 351 N 0.73 0.22 -0.31 1.72 2.86 -0.45 -1.28 114.93 118.42 1qh1 h MET 351 Ca 0.22 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1qh1 h MET 351 Cb -0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1qh1 h MET 351 CO -0.07 0.17 -0.16 -0.07 1.06 0.00 0.00 176.91 177.84 1qh1 h LEU 352 N 0.20 0.54 -0.89 1.22 3.38 -0.83 -1.61 115.31 117.32 1qh1 h LEU 352 Ca 0.06 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1qh1 h LEU 352 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1qh1 h LEU 352 CO -0.01 0.72 -0.54 0.44 0.09 0.00 0.00 178.44 179.13 1qh1 h ASP 353 N 0.50 0.00 -0.02 -0.43 3.32 -0.67 -3.22 116.42 115.89 1qh1 h ASP 353 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1qh1 h ASP 353 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1qh1 h ASP 353 CO 0.04 0.54 -0.15 -1.20 -1.72 0.00 0.00 179.24 176.74 1qh1 n SER 354 N -3.83 2.42 0.12 6.45 7.64 -0.51 -4.71 113.62 121.20 1qh1 n SER 354 Ca -0.01 -1.71 0.05 0.00 1.01 0.00 0.00 58.87 58.20 1qh1 n SER 354 Cb 0.56 0.18 0.48 0.00 -1.01 0.00 0.00 64.21 64.42 1qh1 n SER 354 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1qh1 h HIS 355 N 3.40 0.27 0.00 1.43 2.07 -1.31 -2.47 115.15 118.55 1qh1 h HIS 355 Ca 0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qh1 h HIS 355 Cb 0.80 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1qh1 h HIS 355 CO 0.00 0.23 0.00 1.79 -3.07 0.00 0.00 177.93 176.88 1qh1 h THR 356 N 0.28 0.00 0.00 6.12 1.35 -1.84 -0.83 112.91 117.99 1qh1 h THR 356 Ca 0.07 -0.40 -0.05 0.00 -0.55 0.00 0.00 66.41 65.49 1qh1 h THR 356 Cb 0.08 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1qh1 h THR 356 CO -0.01 0.00 -0.81 -0.50 -0.25 0.00 0.00 175.52 173.95 1qh1 h TRP 357 N 0.00 0.00 0.00 4.73 4.06 -1.81 -3.37 115.95 119.56 1qh1 h TRP 357 Ca 0.00 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.65 1qh1 h TRP 357 Cb 0.41 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.52 1qh1 h TRP 357 CO 0.00 0.17 -2.17 1.28 -3.56 0.00 0.00 178.44 174.17 1qh1 n LEU 358 N -2.87 0.19 -4.69 -4.49 4.77 -0.98 -4.80 117.00 104.13 1qh1 n LEU 358 Ca -0.01 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1qh1 n LEU 358 Cb 0.62 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 42.04 1qh1 n LEU 358 CO 0.39 0.39 1.49 1.57 -1.33 0.00 0.00 177.39 179.91 1qh1 n HIS 359 N -2.74 2.65 -0.52 -1.77 -0.00 -0.35 -1.31 115.22 111.18 1qh1 n HIS 359 Ca -0.25 -0.17 0.00 0.00 0.46 0.00 0.00 57.72 57.76 1qh1 n HIS 359 Cb 1.05 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 28.18 1qh1 n HIS 359 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qh1 n GLY 360 N 4.26 1.41 3.77 1.57 0.00 0.24 -4.98 105.19 111.45 1qh1 n GLY 360 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1qh1 n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qh1 s LYS 361 N -0.21 4.10 -0.18 1.61 -0.14 -0.43 -4.71 119.74 119.79 1qh1 s LYS 361 Ca 0.00 1.90 -0.07 0.00 -1.36 0.00 0.00 55.97 56.44 1qh1 s LYS 361 Cb 0.00 -2.74 -0.04 0.00 -1.68 0.00 0.00 37.83 33.37 1qh1 s LYS 361 CO 0.00 -0.30 0.06 0.15 -0.76 0.00 0.00 175.35 174.50 1qh1 s LYS 362 N -2.21 3.95 0.02 1.68 1.02 -1.26 -0.62 119.74 122.33 1qh1 s LYS 362 Ca 0.56 -0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.26 1qh1 s LYS 362 Cb -0.32 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1qh1 s LYS 362 CO 0.41 0.28 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.87 1qh1 s PHE 363 N 0.34 1.67 0.27 3.18 0.40 0.16 -0.38 117.98 123.62 1qh1 s PHE 363 Ca 0.03 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1qh1 s PHE 363 Cb -0.12 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 1qh1 s PHE 363 CO 0.00 0.03 0.52 0.20 0.70 0.00 0.00 175.22 176.67 1qh1 s GLY 364 N -0.82 1.82 -0.12 4.36 0.00 -0.39 -1.17 107.32 111.00 1qh1 s GLY 364 Ca 0.07 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.88 1qh1 s GLY 364 CO 0.01 -0.54 0.65 0.48 0.00 0.00 0.00 173.10 173.69 1qh1 s LEU 365 N -3.54 -0.50 0.17 0.66 2.34 -0.02 -0.18 118.68 117.60 1qh1 s LEU 365 Ca 0.43 0.90 -0.06 0.00 0.06 0.00 0.00 54.13 55.46 1qh1 s LEU 365 Cb -0.11 2.35 -0.02 0.00 -0.56 0.00 0.00 46.19 47.85 1qh1 s LEU 365 CO 0.30 -0.46 0.21 -0.72 -1.06 0.00 0.00 176.35 174.62 1qh1 s TYR 366 N -0.63 0.65 -5.00 3.48 -0.85 -0.99 -1.08 117.35 112.92 1qh1 s TYR 366 Ca -0.07 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.48 1qh1 s TYR 366 Cb -0.02 -0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.08 1qh1 s TYR 366 CO 0.06 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.83 1qh1 n GLY 367 N -0.20 -0.05 3.83 5.49 0.00 -1.13 -4.65 105.19 108.47 1qh1 n GLY 367 Ca -0.05 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1qh1 n GLY 367 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qh1 s ASP 368 N -4.00 5.49 0.14 1.61 1.01 -1.26 -4.38 116.67 115.29 1qh1 s ASP 368 Ca 0.00 1.57 -0.17 0.00 0.71 0.00 0.00 52.55 54.66 1qh1 s ASP 368 Cb 0.00 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1qh1 s ASP 368 CO 0.00 -1.36 1.77 -0.65 0.21 0.00 0.00 175.17 175.13 1qh1 h PRO 369 N -0.66 0.30 -0.20 8.23 0.11 -1.94 -0.27 132.00 137.57 1qh1 h PRO 369 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1qh1 h PRO 369 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1qh1 h PRO 369 CO 0.58 0.20 0.04 -0.44 -0.21 0.00 0.00 178.00 178.17 1qh1 h ASP 370 N 0.31 0.31 -0.00 -2.05 3.32 -1.96 -1.08 116.42 115.27 1qh1 h ASP 370 Ca 0.13 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1qh1 h ASP 370 Cb 0.06 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qh1 h ASP 370 CO -0.10 0.47 -0.01 0.15 -1.72 0.00 0.00 179.24 178.03 1qh1 h PHE 371 N 0.13 -0.02 -0.79 4.55 3.57 -1.89 -1.24 116.94 121.26 1qh1 h PHE 371 Ca 0.06 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1qh1 h PHE 371 Cb 0.28 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1qh1 h PHE 371 CO 0.01 -0.01 0.38 0.28 -2.23 0.00 0.00 178.31 176.74 1qh1 h VAL 372 N -0.01 1.25 -0.47 1.41 2.07 -0.91 0.38 116.25 119.97 1qh1 h VAL 372 Ca 0.00 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1qh1 h VAL 372 Cb 0.02 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1qh1 h VAL 372 CO -0.01 0.30 0.25 -0.03 0.02 0.00 0.00 177.57 178.10 1qh1 h MET 373 N 1.12 0.66 -0.11 1.57 1.85 -1.06 -0.70 114.93 118.26 1qh1 h MET 373 Ca 0.27 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 1qh1 h MET 373 Cb 0.12 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1qh1 h MET 373 CO -0.03 0.53 0.07 0.78 -0.40 0.00 0.00 176.91 177.85 1qh1 h GLY 374 N 0.62 0.15 1.61 1.39 0.00 -0.84 -0.42 103.07 105.58 1qh1 h GLY 374 Ca 0.17 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 1qh1 h GLY 374 CO -0.03 0.06 -0.51 -2.00 0.00 0.00 0.00 176.54 174.07 1qh1 h LEU 375 N 0.12 0.45 -0.32 3.11 5.85 -0.86 -1.92 115.31 121.74 1qh1 h LEU 375 Ca 0.04 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1qh1 h LEU 375 Cb 0.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1qh1 h LEU 375 CO -0.01 0.88 0.21 0.74 -0.34 0.00 0.00 178.44 179.92 1qh1 h THR 376 N 0.33 1.07 -0.42 1.05 2.02 -0.96 -0.31 112.91 115.68 1qh1 h THR 376 Ca 0.01 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.13 1qh1 h THR 376 Cb 1.00 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1qh1 h THR 376 CO 0.09 0.08 -0.03 -0.09 0.37 0.00 0.00 175.52 175.93 1qh1 h ARG 377 N 0.42 0.07 -0.58 6.66 2.43 -0.79 -1.65 114.38 120.94 1qh1 h ARG 377 Ca 0.12 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1qh1 h ARG 377 Cb -0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1qh1 h ARG 377 CO -0.03 0.05 -0.02 0.35 -1.51 0.00 0.00 179.97 178.81 1qh1 h PHE 378 N 0.07 1.13 -0.88 2.20 3.57 -1.13 -1.59 116.94 120.33 1qh1 h PHE 378 Ca 0.21 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1qh1 h PHE 378 Cb 0.31 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1qh1 h PHE 378 CO -0.31 1.01 0.58 -0.07 -2.23 0.00 0.00 178.31 177.29 1qh1 h LEU 379 N 0.94 0.95 -0.90 0.59 3.38 -0.65 -1.02 115.31 118.61 1qh1 h LEU 379 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1qh1 h LEU 379 Cb 0.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1qh1 h LEU 379 CO 0.03 0.66 0.33 -0.07 0.09 0.00 0.00 178.44 179.48 1qh1 h LEU 380 N 1.11 1.03 -1.54 1.67 3.38 -0.74 -0.84 115.31 119.38 1qh1 h LEU 380 Ca 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1qh1 h LEU 380 Cb -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1qh1 h LEU 380 CO -0.10 0.90 -0.11 -0.33 0.09 0.00 0.00 178.44 178.89 1qh1 h GLU 381 N 1.10 0.00 -0.00 1.13 5.08 -0.33 -2.03 114.58 119.53 1qh1 h GLU 381 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1qh1 h GLU 381 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qh1 h GLU 381 CO -0.03 0.11 -0.16 1.28 -1.00 0.00 0.00 179.01 179.22 1qh1 n LEU 382 N -3.32 0.18 0.00 1.33 4.77 -0.48 -4.92 117.00 114.55 1qh1 n LEU 382 Ca -0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1qh1 n LEU 382 Cb 0.32 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qh1 n LEU 382 CO 0.30 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1qh1 n GLY 383 N 1.48 0.56 3.98 -0.72 0.00 -0.76 -4.48 105.19 105.24 1qh1 n GLY 383 Ca 0.07 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1qh1 n GLY 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qh1 s GLU 385 N -4.05 2.68 -1.01 0.00 2.02 0.21 -4.11 118.70 114.45 1qh1 s GLU 385 Ca 0.38 -1.13 -0.20 0.00 0.02 0.00 0.00 54.97 54.04 1qh1 s GLU 385 Cb -0.09 -3.38 0.10 0.00 0.10 0.00 0.00 34.13 30.85 1qh1 s GLU 385 CO 0.30 -0.61 1.31 -1.25 0.02 0.00 0.00 175.26 175.03 1qh1 s PRO 386 N 1.39 3.65 0.13 0.39 0.04 -1.26 -0.67 135.00 138.68 1qh1 s PRO 386 Ca -0.01 -1.58 0.05 0.00 0.04 0.00 0.00 61.00 59.50 1qh1 s PRO 386 Cb -0.19 -5.14 -0.15 0.00 0.04 0.00 0.00 34.50 29.06 1qh1 s PRO 386 CO 0.02 -1.97 1.30 1.79 0.04 0.00 0.00 177.00 178.18 1qh1 h THR 387 N 6.12 1.65 -3.46 1.26 1.35 -1.40 -3.41 112.91 115.01 1qh1 h THR 387 Ca 0.20 -3.19 -0.58 0.00 -0.55 0.00 0.00 66.41 62.29 1qh1 h THR 387 Cb 1.00 2.77 -0.38 0.00 -1.73 0.00 0.00 68.15 69.81 1qh1 h THR 387 CO 1.26 0.92 -0.79 -0.69 -0.25 0.00 0.00 175.52 175.97 1qh1 s VAL 388 N -2.83 1.33 -0.19 6.82 1.01 -1.16 -1.27 120.40 124.12 1qh1 s VAL 388 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1qh1 s VAL 388 Cb 0.10 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1qh1 s VAL 388 CO 0.82 0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 175.23 1qh1 s ILE 389 N 1.51 1.50 -0.03 2.22 1.01 -0.37 -0.84 121.20 126.19 1qh1 s ILE 389 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1qh1 s ILE 389 Cb -0.17 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 1qh1 s ILE 389 CO -0.07 0.17 -0.15 -0.22 0.00 0.00 0.00 174.94 174.68 1qh1 s LEU 390 N 1.46 1.92 -0.25 2.97 0.20 -0.24 -0.18 118.68 124.56 1qh1 s LEU 390 Ca -0.00 -0.29 -0.04 0.00 0.69 0.00 0.00 54.13 54.49 1qh1 s LEU 390 Cb -0.16 -0.81 0.09 0.00 -0.43 0.00 0.00 46.19 44.89 1qh1 s LEU 390 CO -0.08 0.14 0.15 -0.55 -0.29 0.00 0.00 176.35 175.72 1qh1 s SER 391 N -0.05 2.73 0.43 3.68 0.15 -0.64 -2.84 113.70 117.15 1qh1 s SER 391 Ca -0.01 -0.91 0.09 0.00 0.70 0.00 0.00 55.95 55.83 1qh1 s SER 391 Cb -0.09 -0.14 0.93 0.00 -1.71 0.00 0.00 66.02 65.02 1qh1 s SER 391 CO 0.01 -0.40 2.06 -0.74 1.20 0.00 0.00 173.24 175.37 1qh1 h HIS 392 N 8.38 0.45 -0.69 3.44 2.76 -1.76 -2.66 115.15 125.06 1qh1 h HIS 392 Ca -0.17 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1qh1 h HIS 392 Cb 1.07 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1qh1 h HIS 392 CO 0.23 0.27 0.00 0.27 -1.30 0.00 0.00 177.93 177.40 1qh1 n ASN 393 N -4.48 3.91 -4.92 3.26 6.94 -1.26 -2.79 115.26 115.92 1qh1 n ASN 393 Ca 0.04 -2.03 -0.27 0.00 -0.02 0.00 0.00 54.58 52.30 1qh1 n ASN 393 Cb 0.11 -0.47 0.04 0.00 -2.36 0.00 0.00 39.78 37.10 1qh1 n ASN 393 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qh1 s ALA 394 N -1.06 3.27 0.52 -2.53 0.00 -1.01 -4.89 121.76 116.06 1qh1 s ALA 394 Ca 0.47 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1qh1 s ALA 394 Cb 0.25 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1qh1 s ALA 394 CO 0.31 -0.87 0.09 0.54 0.00 0.00 0.00 175.76 175.83 1qh1 s ASN 395 N -4.33 4.25 0.34 0.00 2.20 -1.26 -4.38 114.94 111.76 1qh1 s ASN 395 Ca 0.55 -1.58 0.06 0.00 -0.94 0.00 0.00 52.86 50.95 1qh1 s ASN 395 Cb -0.11 0.54 0.63 0.00 -2.00 0.00 0.00 41.25 40.31 1qh1 s ASN 395 CO 0.45 -0.93 1.85 0.11 -2.94 0.00 0.00 177.10 175.65 1qh1 h LYS 396 N 1.20 0.39 -0.50 3.55 1.57 -1.99 -1.45 116.57 119.34 1qh1 h LYS 396 Ca -0.42 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 1qh1 h LYS 396 Cb 1.32 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1qh1 h LYS 396 CO 0.70 0.52 0.04 0.00 -0.57 0.00 0.00 179.45 180.14 1qh1 h ARG 397 N 0.37 0.87 -0.60 3.15 -0.00 -1.99 -1.53 114.38 114.64 1qh1 h ARG 397 Ca 0.07 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.27 1qh1 h ARG 397 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.29 1qh1 h ARG 397 CO 0.02 0.88 0.29 2.35 0.00 0.00 0.00 179.97 183.51 1qh1 h TRP 398 N 0.74 0.87 -0.36 3.04 7.01 -1.91 -1.45 115.95 123.89 1qh1 h TRP 398 Ca 0.15 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1qh1 h TRP 398 Cb 0.47 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1qh1 h TRP 398 CO 0.03 0.67 0.12 0.37 -2.79 0.00 0.00 178.44 176.84 1qh1 h GLN 399 N 0.83 0.52 -0.08 2.65 4.15 -1.10 0.79 115.11 122.87 1qh1 h GLN 399 Ca 0.21 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1qh1 h GLN 399 Cb 0.12 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1qh1 h GLN 399 CO -0.03 0.46 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.08 1qh1 h LYS 400 N 0.52 0.16 -0.74 1.69 3.64 -0.90 -0.94 116.57 120.00 1qh1 h LYS 400 Ca 0.13 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1qh1 h LYS 400 Cb 0.15 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1qh1 h LYS 400 CO -0.01 0.52 0.48 0.00 -2.27 0.00 0.00 179.45 178.18 1qh1 h ALA 401 N 0.63 1.46 -0.18 5.00 0.00 -0.74 -1.78 119.26 123.65 1qh1 h ALA 401 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qh1 h ALA 401 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1qh1 h ALA 401 CO 0.01 0.50 0.04 0.52 0.00 0.00 0.00 179.25 180.32 1qh1 h MET 402 N 1.01 0.29 -0.16 0.00 2.86 -0.65 -1.51 114.93 116.77 1qh1 h MET 402 Ca 0.27 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1qh1 h MET 402 Cb -0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1qh1 h MET 402 CO -0.06 0.44 -0.09 -0.91 1.06 0.00 0.00 176.91 177.36 1qh1 h ASN 403 N 0.09 0.23 0.05 1.22 2.35 -0.99 -1.29 115.58 117.24 1qh1 h ASN 403 Ca 0.06 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1qh1 h ASN 403 Cb 0.29 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1qh1 h ASN 403 CO 0.00 0.35 -0.02 0.50 -1.65 0.00 0.00 177.43 176.61 1qh1 h LYS 404 N 0.24 -0.06 -0.54 0.81 3.64 -1.04 0.86 116.57 120.48 1qh1 h LYS 404 Ca 0.05 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1qh1 h LYS 404 Cb 0.31 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1qh1 h LYS 404 CO 0.02 0.14 0.26 1.98 -2.27 0.00 0.00 179.45 179.57 1qh1 h MET 405 N -0.25 0.48 -0.36 1.90 4.05 -0.99 -2.43 114.93 117.33 1qh1 h MET 405 Ca -0.01 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1qh1 h MET 405 Cb 0.23 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1qh1 h MET 405 CO 0.01 0.32 0.13 -0.07 0.23 0.00 0.00 176.91 177.53 1qh1 h LEU 406 N 0.50 0.51 -1.69 3.39 3.38 -1.08 -2.89 115.31 117.43 1qh1 h LEU 406 Ca 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1qh1 h LEU 406 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1qh1 h LEU 406 CO -0.19 0.56 0.05 0.44 0.09 0.00 0.00 178.44 179.39 1qh1 h ASP 407 N 0.43 0.22 1.51 -0.43 3.32 -0.65 -2.08 116.42 118.75 1qh1 h ASP 407 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qh1 h ASP 407 Cb 0.22 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1qh1 h ASP 407 CO -0.01 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 1qh1 h ALA 408 N 1.81 1.00 -2.76 3.45 0.00 -1.23 -3.46 119.26 118.08 1qh1 h ALA 408 Ca 0.06 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.33 1qh1 h ALA 408 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1qh1 h ALA 408 CO -0.00 0.00 -0.49 0.45 0.00 0.00 0.00 179.25 179.21 1qh1 s SER 409 N -5.38 6.37 0.59 0.00 0.15 -0.78 -4.98 113.70 109.68 1qh1 s SER 409 Ca 0.07 0.38 0.29 0.00 0.70 0.00 0.00 55.95 57.39 1qh1 s SER 409 Cb 0.08 -2.02 1.77 0.00 -1.71 0.00 0.00 66.02 64.14 1qh1 s SER 409 CO 0.59 0.31 2.20 -0.65 1.20 0.00 0.00 173.24 176.89 1qh1 h PRO 410 N 4.15 0.00 -0.37 5.44 0.11 -1.88 -2.69 132.00 136.76 1qh1 h PRO 410 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qh1 h PRO 410 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qh1 h PRO 410 CO 0.66 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.11 1qh1 n TYR 411 N -3.83 0.47 -0.52 0.65 4.01 -1.26 -4.38 117.16 112.31 1qh1 n TYR 411 Ca -0.01 -0.24 0.08 0.00 -0.16 0.00 0.00 57.90 57.57 1qh1 n TYR 411 Cb 0.16 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.44 1qh1 n TYR 411 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qh1 n GLY 412 N 1.47 3.05 0.23 2.72 0.00 -1.01 -4.31 105.19 107.33 1qh1 n GLY 412 Ca 0.19 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.61 1qh1 n GLY 412 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qh1 h ARG 413 N 2.72 0.00 -0.27 1.61 3.08 -1.76 -2.66 114.38 117.10 1qh1 h ARG 413 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1qh1 h ARG 413 Cb 1.13 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 1qh1 h ARG 413 CO 0.12 0.21 -0.17 -0.25 -1.07 0.00 0.00 179.97 178.81 1qh1 n ASP 414 N -3.40 2.35 -4.84 7.04 8.00 -1.26 -5.03 116.55 119.41 1qh1 n ASP 414 Ca -0.00 -3.77 -0.37 0.00 0.71 0.00 0.00 54.79 51.36 1qh1 n ASP 414 Cb 0.41 -0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1qh1 n ASP 414 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1qh1 s SER 415 N -2.67 6.42 -0.06 -2.24 0.01 -1.00 -4.63 113.70 109.52 1qh1 s SER 415 Ca 0.43 0.50 0.05 0.00 1.31 0.00 0.00 55.95 58.24 1qh1 s SER 415 Cb 0.39 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 1qh1 s SER 415 CO -0.01 0.35 -0.22 -1.61 0.41 0.00 0.00 173.24 172.15 1qh1 s GLU 416 N -0.75 2.36 -0.12 12.44 2.02 -0.40 -5.01 118.70 129.23 1qh1 s GLU 416 Ca 0.15 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1qh1 s GLU 416 Cb -0.12 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 1qh1 s GLU 416 CO 0.04 0.30 -0.16 0.08 0.02 0.00 0.00 175.26 175.54 1qh1 s VAL 417 N -0.01 2.78 -0.09 2.63 1.01 -1.26 -1.24 120.40 124.22 1qh1 s VAL 417 Ca -0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1qh1 s VAL 417 Cb -0.14 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1qh1 s VAL 417 CO 0.04 0.54 -0.23 -0.36 0.00 0.00 0.00 175.10 175.09 1qh1 s PHE 418 N 0.30 2.43 0.12 5.22 0.08 0.74 -4.99 117.98 121.88 1qh1 s PHE 418 Ca -0.12 -0.94 0.09 0.00 0.12 0.00 0.00 56.93 56.08 1qh1 s PHE 418 Cb -0.16 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1qh1 s PHE 418 CO 0.06 -0.37 -0.22 0.96 -0.10 0.00 0.00 175.22 175.55 1qh1 s ILE 419 N 0.27 1.91 -1.52 0.64 -4.36 -1.26 -1.62 121.20 115.25 1qh1 s ILE 419 Ca -0.16 -1.68 -0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1qh1 s ILE 419 Cb -0.17 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 41.81 1qh1 s ILE 419 CO 0.07 -0.06 0.68 0.59 0.24 0.00 0.00 174.94 176.47 1qh1 n ASN 420 N 0.88 -5.99 -4.32 4.36 3.02 -1.12 -4.96 115.26 107.13 1qh1 n ASN 420 Ca -0.18 -0.34 -0.22 0.00 -0.03 0.00 0.00 54.58 53.81 1qh1 n ASN 420 Cb 0.54 -4.82 -0.11 0.00 -0.61 0.00 0.00 39.78 34.77 1qh1 n ASN 420 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qh1 n ASP 422 N 0.46 1.84 0.09 0.00 5.68 -1.26 -3.87 116.55 119.49 1qh1 n ASP 422 Ca -0.15 -1.00 0.13 0.00 -0.50 0.00 0.00 54.79 53.28 1qh1 n ASP 422 Cb 0.56 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.99 1qh1 n ASP 422 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1qh1 n LEU 423 N 0.00 0.62 0.11 -2.12 4.77 0.62 -1.42 117.00 119.58 1qh1 n LEU 423 Ca 0.00 0.58 -0.04 0.00 -0.03 0.00 0.00 56.01 56.52 1qh1 n LEU 423 Cb 0.00 -0.40 0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1qh1 n LEU 423 CO 0.00 -0.22 0.39 -0.25 -1.33 0.00 0.00 177.39 175.97 1qh1 h TRP 424 N 0.00 0.07 -0.20 -1.77 2.91 -1.70 -1.15 115.95 114.12 1qh1 h TRP 424 Ca 0.00 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 1qh1 h TRP 424 Cb 0.61 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 1qh1 h TRP 424 CO 0.00 0.76 0.02 0.45 -1.03 0.00 0.00 178.44 178.64 1qh1 h HIS 425 N 0.03 0.36 -0.94 2.65 3.86 -1.75 -2.94 115.15 116.42 1qh1 h HIS 425 Ca -0.01 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1qh1 h HIS 425 Cb 1.29 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 29.61 1qh1 h HIS 425 CO 0.01 0.50 0.62 0.35 0.86 0.00 0.00 177.93 180.27 1qh1 h PHE 426 N 0.12 1.16 -0.47 2.45 3.57 -1.17 -1.52 116.94 121.08 1qh1 h PHE 426 Ca 0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1qh1 h PHE 426 Cb 0.35 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1qh1 h PHE 426 CO 0.03 0.71 0.22 -0.09 -2.23 0.00 0.00 178.31 176.94 1qh1 h ARG 427 N 1.23 0.42 -0.66 1.11 2.43 -1.18 0.17 114.38 117.90 1qh1 h ARG 427 Ca 0.36 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1qh1 h ARG 427 Cb -0.08 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1qh1 h ARG 427 CO -0.09 0.28 0.41 0.77 -1.51 0.00 0.00 179.97 179.83 1qh1 h SER 428 N 0.43 0.69 -0.35 -3.80 0.02 -1.18 -2.26 113.55 107.10 1qh1 h SER 428 Ca 0.21 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1qh1 h SER 428 Cb 0.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1qh1 h SER 428 CO -0.17 0.48 0.15 -0.07 -1.14 0.00 0.00 176.83 176.08 1qh1 h LEU 429 N 0.82 0.52 -1.13 5.07 3.38 -0.62 0.47 115.31 123.83 1qh1 h LEU 429 Ca 0.26 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1qh1 h LEU 429 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1qh1 h LEU 429 CO -0.09 0.49 -0.24 0.24 0.09 0.00 0.00 178.44 178.92 1qh1 h MET 430 N 0.58 0.32 -0.10 1.13 2.86 -0.41 0.18 114.93 119.49 1qh1 h MET 430 Ca 0.14 -0.11 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 1qh1 h MET 430 Cb 0.14 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.78 1qh1 h MET 430 CO -0.01 0.54 -0.60 0.74 1.06 0.00 0.00 176.91 178.64 1qh1 h PHE 431 N 0.28 0.79 0.14 -0.22 0.04 -0.85 -2.48 116.94 114.64 1qh1 h PHE 431 Ca 0.05 -0.36 -0.32 0.00 2.80 0.00 0.00 57.97 60.14 1qh1 h PHE 431 Cb 0.59 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1qh1 h PHE 431 CO 0.01 1.16 -1.59 1.79 -0.60 0.00 0.00 178.31 179.08 1qh1 h THR 432 N 0.20 1.09 0.00 -1.55 1.35 -0.83 -3.38 112.91 109.79 1qh1 h THR 432 Ca -0.05 -2.72 -0.04 0.00 -0.55 0.00 0.00 66.41 63.05 1qh1 h THR 432 Cb 1.25 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 70.42 1qh1 h THR 432 CO 0.12 0.82 -1.42 0.54 -0.25 0.00 0.00 175.52 175.34 1qh1 n ARG 433 N -3.48 0.63 -3.61 4.72 5.12 0.63 -5.03 116.66 115.63 1qh1 n ARG 433 Ca -0.18 0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 55.52 1qh1 n ARG 433 Cb 1.05 -1.72 0.01 0.00 -1.16 0.00 0.00 32.46 30.64 1qh1 n ARG 433 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1qh1 n GLN 434 N -2.58 -1.45 -1.19 5.56 1.13 -0.93 -4.96 117.38 112.96 1qh1 n GLN 434 Ca -0.04 0.76 -0.29 0.00 -1.94 0.00 0.00 57.00 55.49 1qh1 n GLN 434 Cb 0.62 -1.96 0.16 0.00 0.11 0.00 0.00 30.24 29.17 1qh1 n GLN 434 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1qh1 s PRO 435 N -4.29 0.76 0.14 -1.09 0.04 -1.26 -4.94 135.00 124.36 1qh1 s PRO 435 Ca 0.06 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 1qh1 s PRO 435 Cb -0.01 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1qh1 s PRO 435 CO 0.81 -2.53 1.53 -0.44 0.04 0.00 0.00 177.00 176.40 1qh1 h ASP 436 N -1.75 0.95 -5.23 6.66 3.32 -1.08 -3.46 116.42 115.82 1qh1 h ASP 436 Ca -0.52 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.01 1qh1 h ASP 436 Cb 1.31 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1qh1 h ASP 436 CO 0.56 1.14 -0.55 -0.36 -1.72 0.00 0.00 179.24 178.31 1qh1 s PHE 437 N -4.65 0.42 -0.03 4.55 0.40 -1.08 -4.19 117.98 113.40 1qh1 s PHE 437 Ca -0.12 -0.90 0.06 0.00 -0.60 0.00 0.00 56.93 55.37 1qh1 s PHE 437 Cb 0.11 -0.27 -0.01 0.00 0.51 0.00 0.00 43.02 43.36 1qh1 s PHE 437 CO 0.86 -0.47 -0.20 0.00 0.70 0.00 0.00 175.22 176.11 1qh1 s MET 438 N -3.92 1.74 -0.25 0.44 0.23 -0.49 -1.26 119.30 115.81 1qh1 s MET 438 Ca 0.09 -0.70 -0.09 0.00 -1.03 0.00 0.00 55.69 53.95 1qh1 s MET 438 Cb 0.07 -1.61 -0.04 0.00 -1.53 0.00 0.00 34.83 31.71 1qh1 s MET 438 CO -0.09 0.38 0.12 0.42 -2.03 0.00 0.00 175.02 173.82 1qh1 s ILE 439 N -0.31 4.89 0.00 3.16 1.01 0.75 -0.46 121.20 130.24 1qh1 s ILE 439 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1qh1 s ILE 439 Cb -0.09 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1qh1 s ILE 439 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1qh1 n GLY 440 N 4.62 2.32 0.00 6.18 0.00 -0.65 -2.35 105.19 115.31 1qh1 n GLY 440 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1qh1 n GLY 440 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qh1 n ASN 441 N -0.42 0.53 0.28 1.61 0.23 -1.26 -1.52 115.26 114.72 1qh1 n ASN 441 Ca 0.00 -1.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.18 1qh1 n ASN 441 Cb 0.00 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 38.53 1qh1 n ASN 441 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1qh1 h SER 442 N 0.00 0.00 0.11 0.53 0.02 -1.71 -0.64 113.55 111.86 1qh1 h SER 442 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1qh1 h SER 442 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qh1 h SER 442 CO 0.00 0.01 -0.03 1.88 -1.14 0.00 0.00 176.83 177.55 1qh1 h TYR 443 N 0.00 0.00 0.00 3.45 0.05 -1.95 -1.61 116.97 116.91 1qh1 h TYR 443 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1qh1 h TYR 443 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1qh1 h TYR 443 CO 0.00 0.03 0.00 0.78 -1.05 0.00 0.00 178.16 177.92 1qh1 h GLY 444 N 0.25 0.00 1.32 3.88 0.00 -1.48 -3.00 103.07 104.04 1qh1 h GLY 444 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1qh1 h GLY 444 CO 0.00 0.00 0.36 0.07 0.00 0.00 0.00 176.54 176.98 1qh1 h LYS 445 N 0.00 0.58 -0.06 4.80 2.10 -1.46 -0.80 116.57 121.73 1qh1 h LYS 445 Ca 0.00 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 1qh1 h LYS 445 Cb 0.21 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1qh1 h LYS 445 CO 0.00 0.38 -0.47 0.74 -2.00 0.00 0.00 179.45 178.10 1qh1 h PHE 446 N 0.59 0.18 -0.07 0.07 0.04 -1.74 -1.16 116.94 114.84 1qh1 h PHE 446 Ca 0.22 -0.05 -0.24 0.00 2.80 0.00 0.00 57.97 60.70 1qh1 h PHE 446 Cb 0.15 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1qh1 h PHE 446 CO -0.00 0.59 -0.90 0.82 -0.60 0.00 0.00 178.31 178.23 1qh1 h ILE 447 N 0.12 1.30 -0.09 -0.55 2.04 -1.36 -0.52 117.51 118.45 1qh1 h ILE 447 Ca 0.01 -2.14 0.03 0.00 1.00 0.00 0.00 64.86 63.75 1qh1 h ILE 447 Cb 0.88 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1qh1 h ILE 447 CO 0.07 0.66 -0.07 -0.61 0.00 0.00 0.00 178.15 178.20 1qh1 h GLN 448 N 0.44 -0.08 -0.47 2.37 4.15 -0.94 -1.07 115.11 119.50 1qh1 h GLN 448 Ca -0.08 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.42 1qh1 h GLN 448 Cb 1.53 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.17 1qh1 h GLN 448 CO 0.18 -0.05 0.10 -0.09 -1.93 0.00 0.00 178.83 177.03 1qh1 h ARG 449 N -0.08 0.22 -0.77 1.69 1.12 -1.20 -1.78 114.38 113.58 1qh1 h ARG 449 Ca 0.06 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.93 1qh1 h ARG 449 Cb 0.17 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 1qh1 h ARG 449 CO -0.14 0.15 0.51 -0.44 -3.11 0.00 0.00 179.97 176.94 1qh1 h ASP 450 N 0.23 0.87 0.14 -3.80 3.32 -0.69 -2.24 116.42 114.24 1qh1 h ASP 450 Ca 0.24 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1qh1 h ASP 450 Cb 0.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1qh1 h ASP 450 CO -0.31 0.62 -0.38 0.71 -1.72 0.00 0.00 179.24 178.16 1qh1 h THR 451 N 1.02 1.30 0.00 0.35 1.35 -1.01 -2.59 112.91 113.34 1qh1 h THR 451 Ca 0.29 -1.47 -0.07 0.00 -0.55 0.00 0.00 66.41 64.61 1qh1 h THR 451 Cb -0.08 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1qh1 h THR 451 CO -0.08 0.45 -0.35 0.25 -0.25 0.00 0.00 175.52 175.54 1qh1 h LEU 452 N 0.28 0.00 -0.97 3.87 5.85 -1.06 -1.93 115.31 121.34 1qh1 h LEU 452 Ca 0.03 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1qh1 h LEU 452 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1qh1 h LEU 452 CO 0.06 0.35 -0.30 0.00 -0.34 0.00 0.00 178.44 178.22 1qh1 h ALA 453 N 1.65 0.99 -0.30 1.25 0.00 -1.00 -0.17 119.26 121.68 1qh1 h ALA 453 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1qh1 h ALA 453 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qh1 h ALA 453 CO 0.05 0.37 -0.31 -0.22 0.00 0.00 0.00 179.25 179.13 1qh1 h LYS 454 N 0.00 0.63 0.00 0.00 3.64 -1.27 -3.48 116.57 116.08 1qh1 h LYS 454 Ca -0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1qh1 h LYS 454 Cb 0.84 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1qh1 h LYS 454 CO 0.04 0.86 0.00 0.41 -2.27 0.00 0.00 179.45 178.49 1qh1 n GLY 455 N -0.15 2.61 0.25 5.01 0.00 -0.08 -4.95 105.19 107.87 1qh1 n GLY 455 Ca -0.01 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1qh1 n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qh1 h LYS 456 N 0.00 0.15 0.00 1.61 1.57 -1.88 -0.92 116.57 117.10 1qh1 h LYS 456 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1qh1 h LYS 456 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1qh1 h LYS 456 CO 0.00 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1qh1 h ALA 457 N 1.82 1.00 -0.01 3.86 0.00 -1.93 -2.90 119.26 121.10 1qh1 h ALA 457 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qh1 h ALA 457 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qh1 h ALA 457 CO 0.01 0.00 -0.42 1.19 0.00 0.00 0.00 179.25 180.03 1qh1 n PHE 458 N -2.65 0.00 -1.82 0.00 3.72 -0.36 -4.99 117.46 111.35 1qh1 n PHE 458 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1qh1 n PHE 458 Cb 0.27 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1qh1 n PHE 458 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1qh1 s GLU 459 N -2.07 4.16 -0.41 -1.08 2.12 -1.10 -4.64 118.70 115.68 1qh1 s GLU 459 Ca 0.13 2.50 -0.06 0.00 0.36 0.00 0.00 54.97 57.90 1qh1 s GLU 459 Cb 0.14 -3.09 0.09 0.00 0.26 0.00 0.00 34.13 31.53 1qh1 s GLU 459 CO 0.47 -0.66 0.22 0.08 -0.54 0.00 0.00 175.26 174.83 1qh1 s VAL 460 N 0.86 3.72 0.39 3.70 1.01 -1.26 -4.97 120.40 123.84 1qh1 s VAL 460 Ca 0.70 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 1qh1 s VAL 460 Cb -0.47 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1qh1 s VAL 460 CO 0.36 -0.57 1.31 -2.84 0.00 0.00 0.00 175.10 173.36 1qh1 s PRO 461 N 1.29 4.04 0.03 2.72 0.02 -1.26 -4.43 135.00 137.40 1qh1 s PRO 461 Ca 0.04 2.19 -0.24 0.00 0.02 0.00 0.00 61.00 63.01 1qh1 s PRO 461 Cb -0.23 -2.82 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 1qh1 s PRO 461 CO -0.01 -0.45 0.73 -1.17 -0.33 0.00 0.00 177.00 175.77 1qh1 s LEU 462 N -2.31 4.44 -0.25 -5.54 2.96 -1.26 -1.39 118.68 115.33 1qh1 s LEU 462 Ca 0.55 1.38 -0.06 0.00 -0.22 0.00 0.00 54.13 55.78 1qh1 s LEU 462 Cb -0.39 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1qh1 s LEU 462 CO 0.50 0.03 0.03 -0.63 -1.32 0.00 0.00 176.35 174.96 1qh1 s ILE 463 N -0.04 3.92 -0.52 6.68 1.01 0.39 -4.95 121.20 127.70 1qh1 s ILE 463 Ca 0.37 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1qh1 s ILE 463 Cb -0.20 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1qh1 s ILE 463 CO 0.22 0.33 0.97 -0.13 0.00 0.00 0.00 174.94 176.33 1qh1 s ARG 464 N 1.55 3.44 -0.16 2.79 0.52 -1.26 -1.64 118.95 124.18 1qh1 s ARG 464 Ca 0.06 -0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 1qh1 s ARG 464 Cb -0.15 -3.99 0.08 0.00 0.52 0.00 0.00 34.95 31.40 1qh1 s ARG 464 CO 0.01 -1.41 0.23 -0.51 0.02 0.00 0.00 175.30 173.64 1qh1 s LEU 465 N 4.01 -0.17 0.00 2.53 1.43 -0.57 -4.96 118.68 120.95 1qh1 s LEU 465 Ca 0.35 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1qh1 s LEU 465 Cb -0.11 0.47 0.00 0.00 0.03 0.00 0.00 46.19 46.58 1qh1 s LEU 465 CO 0.23 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1qh1 n GLY 466 N 5.33 0.57 3.40 -3.19 0.00 -1.26 -4.08 105.19 105.96 1qh1 n GLY 466 Ca -0.05 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1qh1 n GLY 466 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qh1 s PHE 467 N -3.84 -0.58 0.37 1.61 5.36 -1.26 -4.49 117.98 115.15 1qh1 s PHE 467 Ca 0.00 1.37 -0.10 0.00 -0.96 0.00 0.00 56.93 57.25 1qh1 s PHE 467 Cb 0.00 0.21 -0.06 0.00 -0.34 0.00 0.00 43.02 42.83 1qh1 s PHE 467 CO 0.00 -0.28 0.72 -1.25 -1.46 0.00 0.00 175.22 172.95 1qh1 s PRO 468 N 0.44 3.77 -0.36 10.12 0.04 -1.26 -4.84 135.00 142.91 1qh1 s PRO 468 Ca -0.01 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.43 1qh1 s PRO 468 Cb -0.04 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.15 1qh1 s PRO 468 CO -0.01 0.03 0.10 -0.51 0.04 0.00 0.00 177.00 176.64 1qh1 s LEU 469 N -3.70 4.82 -0.01 -3.56 1.43 -1.26 -1.79 118.68 114.61 1qh1 s LEU 469 Ca 0.50 -2.00 0.11 0.00 -1.03 0.00 0.00 54.13 51.71 1qh1 s LEU 469 Cb -0.10 -1.71 -0.14 0.00 0.03 0.00 0.00 46.19 44.27 1qh1 s LEU 469 CO 0.30 -0.42 0.39 0.49 0.23 0.00 0.00 176.35 177.33 1qh1 n PHE 470 N 4.42 0.00 -0.39 0.29 3.72 -1.26 -4.48 117.46 119.75 1qh1 n PHE 470 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 1qh1 n PHE 470 Cb 0.42 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.92 1qh1 n PHE 470 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qh1 n ASP 471 N -1.50 2.18 -4.16 4.37 5.75 -1.26 -4.93 116.55 117.01 1qh1 n ASP 471 Ca 0.01 -2.39 -0.10 0.00 -0.01 0.00 0.00 54.79 52.29 1qh1 n ASP 471 Cb 0.22 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.05 1qh1 n ASP 471 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1qh1 s ARG 472 N -1.68 0.82 -0.02 0.11 1.81 -1.26 -5.16 118.95 113.57 1qh1 s ARG 472 Ca 0.13 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 1qh1 s ARG 472 Cb 0.11 -0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 1qh1 s ARG 472 CO 0.02 -0.08 0.03 -1.01 -0.68 0.00 0.00 175.30 173.57 1qh1 s HIS 473 N -3.75 3.15 -0.83 -0.53 3.76 -1.26 -4.69 115.29 111.15 1qh1 s HIS 473 Ca 0.13 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1qh1 s HIS 473 Cb 0.06 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1qh1 s HIS 473 CO -0.04 0.49 0.00 0.72 -0.85 0.00 0.00 174.74 175.06 1qh1 n HIS 474 N 1.46 0.00 0.21 1.40 8.25 -1.26 -4.87 115.22 120.41 1qh1 n HIS 474 Ca -0.15 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1qh1 n HIS 474 Cb 0.53 -2.06 0.45 0.00 1.12 0.00 0.00 29.99 30.03 1qh1 n HIS 474 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qh1 h LEU 475 N 0.00 0.00 -1.54 2.41 3.38 -1.91 -2.47 115.31 115.17 1qh1 h LEU 475 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1qh1 h LEU 475 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1qh1 h LEU 475 CO 0.23 0.29 0.01 1.12 0.09 0.00 0.00 178.44 180.19 1qh1 h HIS 476 N 0.00 0.00 0.00 1.13 2.07 -1.85 -1.46 115.15 115.04 1qh1 h HIS 476 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qh1 h HIS 476 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 1qh1 h HIS 476 CO 0.00 0.00 -0.12 0.54 -3.07 0.00 0.00 177.93 175.28 1qh1 n ARG 477 N -2.32 0.07 -1.05 5.12 1.74 -0.93 -0.58 116.66 118.70 1qh1 n ARG 477 Ca -0.02 0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 1qh1 n ARG 477 Cb 0.05 -1.57 0.20 0.00 -1.02 0.00 0.00 32.46 30.12 1qh1 n ARG 477 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qh1 s GLN 478 N -3.03 -0.10 -0.06 5.56 -0.21 -0.55 -3.34 119.66 117.93 1qh1 s GLN 478 Ca 0.12 0.46 0.05 0.00 0.02 0.00 0.00 55.36 56.02 1qh1 s GLN 478 Cb 0.17 -1.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 1qh1 s GLN 478 CO 0.58 -3.07 -0.21 0.99 -2.12 0.00 0.00 175.29 171.46 1qh1 s THR 479 N -2.89 2.46 0.00 -0.19 2.01 -1.26 -1.86 115.64 113.90 1qh1 s THR 479 Ca 0.67 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1qh1 s THR 479 Cb -0.19 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1qh1 s THR 479 CO 0.59 0.57 0.02 0.35 -0.69 0.00 0.00 174.62 175.46 1qh1 n THR 480 N 2.79 0.00 -3.73 -0.82 -2.24 -1.26 -4.29 114.28 104.72 1qh1 n THR 480 Ca -0.17 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1qh1 n THR 480 Cb 0.52 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1qh1 n THR 480 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1qh1 s TRP 481 N -0.88 3.00 0.06 4.78 0.51 -1.26 -4.11 118.94 121.03 1qh1 s TRP 481 Ca 0.00 -0.25 0.00 0.00 -2.12 0.00 0.00 56.10 53.73 1qh1 s TRP 481 Cb 0.00 -1.83 0.00 0.00 -0.81 0.00 0.00 33.47 30.83 1qh1 s TRP 481 CO 0.00 0.15 0.00 0.41 -0.51 0.00 0.00 176.95 177.00 1qh1 n GLY 482 N -1.45 -2.09 0.28 0.98 0.00 -0.40 -0.94 105.19 101.57 1qh1 n GLY 482 Ca -0.02 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1qh1 n GLY 482 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qh1 h TYR 483 N -0.23 0.92 -0.29 1.61 0.05 -1.90 -1.63 116.97 115.49 1qh1 h TYR 483 Ca 0.00 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.64 1qh1 h TYR 483 Cb 0.22 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1qh1 h TYR 483 CO 0.00 0.87 0.18 1.49 -1.05 0.00 0.00 178.16 179.65 1qh1 h GLU 484 N 0.77 0.36 -0.11 4.88 4.81 -1.95 -0.04 114.58 123.30 1qh1 h GLU 484 Ca 0.14 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1qh1 h GLU 484 Cb 0.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1qh1 h GLU 484 CO 0.03 0.24 -0.33 0.78 -0.73 0.00 0.00 179.01 179.01 1qh1 h GLY 485 N 0.37 0.24 1.79 1.92 0.00 -0.98 -2.34 103.07 104.07 1qh1 h GLY 485 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 1qh1 h GLY 485 CO -0.04 0.18 -0.42 0.00 0.00 0.00 0.00 176.54 176.26 1qh1 h ALA 486 N 1.47 1.10 -0.81 3.60 0.00 -0.64 -0.69 119.26 123.29 1qh1 h ALA 486 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qh1 h ALA 486 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1qh1 h ALA 486 CO 0.05 0.59 0.52 0.52 0.00 0.00 0.00 179.25 180.94 1qh1 h MET 487 N 0.20 1.08 -0.25 0.00 2.07 -0.67 -0.02 114.93 117.34 1qh1 h MET 487 Ca 0.02 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1qh1 h MET 487 Cb 0.82 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 30.30 1qh1 h MET 487 CO 0.06 0.73 0.12 -0.97 1.07 0.00 0.00 176.91 177.93 1qh1 h ASN 488 N 1.11 0.33 -0.37 1.22 -1.24 -0.87 -1.94 115.58 113.82 1qh1 h ASN 488 Ca 0.30 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1qh1 h ASN 488 Cb -0.10 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1qh1 h ASN 488 CO -0.06 0.36 0.22 0.40 -1.29 0.00 0.00 177.43 177.06 1qh1 h ILE 489 N 0.27 1.12 0.01 2.57 2.04 -0.86 0.45 117.51 123.12 1qh1 h ILE 489 Ca 0.09 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1qh1 h ILE 489 Cb 0.12 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1qh1 h ILE 489 CO -0.01 0.12 -0.09 0.58 0.00 0.00 0.00 178.15 178.75 1qh1 h VAL 490 N 0.48 0.77 -0.53 1.67 2.07 -0.98 0.27 116.25 120.01 1qh1 h VAL 490 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1qh1 h VAL 490 Cb -0.00 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1qh1 h VAL 490 CO -0.03 0.00 0.28 0.74 0.02 0.00 0.00 177.57 178.59 1qh1 h THR 491 N -0.16 0.98 -0.15 2.57 2.02 -1.20 -1.39 112.91 115.57 1qh1 h THR 491 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1qh1 h THR 491 Cb 0.20 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1qh1 h THR 491 CO -0.08 0.10 0.10 0.74 0.37 0.00 0.00 175.52 176.74 1qh1 h THR 492 N 0.55 1.03 0.09 3.16 2.02 -0.58 -1.25 112.91 117.92 1qh1 h THR 492 Ca 0.23 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1qh1 h THR 492 Cb 0.11 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1qh1 h THR 492 CO -0.15 0.04 -0.04 -0.07 0.37 0.00 0.00 175.52 175.67 1qh1 h LEU 493 N 0.20 -0.10 -0.78 2.58 3.38 -0.70 -1.62 115.31 118.28 1qh1 h LEU 493 Ca 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1qh1 h LEU 493 Cb -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1qh1 h LEU 493 CO -0.02 0.14 0.28 1.62 0.09 0.00 0.00 178.44 180.55 1qh1 h VAL 494 N -0.33 1.26 0.00 1.22 3.04 -1.26 -2.16 116.25 118.02 1qh1 h VAL 494 Ca -0.01 -0.87 -0.07 0.00 -1.01 0.00 0.00 66.70 64.74 1qh1 h VAL 494 Cb 0.28 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1qh1 h VAL 494 CO 0.02 0.35 -0.33 0.78 -1.01 0.00 0.00 177.57 177.38 1qh1 h ASN 495 N 1.14 0.00 -0.31 3.17 2.35 -1.23 -1.37 115.58 119.33 1qh1 h ASN 495 Ca 0.26 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 1qh1 h ASN 495 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1qh1 h ASN 495 CO -0.02 0.33 -0.05 0.00 -1.65 0.00 0.00 177.43 176.04 1qh1 h ALA 496 N 1.67 0.43 -0.45 -0.83 0.00 -0.92 0.26 119.26 119.43 1qh1 h ALA 496 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1qh1 h ALA 496 Cb 0.85 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1qh1 h ALA 496 CO 0.04 0.23 0.06 0.28 0.00 0.00 0.00 179.25 179.87 1qh1 h VAL 497 N 0.37 0.72 -0.13 0.00 2.07 -0.86 -2.12 116.25 116.31 1qh1 h VAL 497 Ca 0.08 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1qh1 h VAL 497 Cb 0.53 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1qh1 h VAL 497 CO 0.03 0.03 -0.56 -0.07 0.02 0.00 0.00 177.57 177.02 1qh1 h LEU 498 N 0.19 0.45 -0.52 2.57 3.38 -1.16 -0.56 115.31 119.65 1qh1 h LEU 498 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1qh1 h LEU 498 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1qh1 h LEU 498 CO -0.32 0.92 0.19 -0.08 0.09 0.00 0.00 178.44 179.24 1qh1 h GLU 499 N 0.31 0.79 -0.45 1.13 4.81 -0.82 -0.75 114.58 119.60 1qh1 h GLU 499 Ca 0.00 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 1qh1 h GLU 499 Cb 1.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1qh1 h GLU 499 CO 0.10 0.71 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.60 1qh1 h LYS 500 N 0.71 0.99 -0.64 1.92 1.63 -1.22 -1.22 116.57 118.73 1qh1 h LYS 500 Ca 0.17 -0.46 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 1qh1 h LYS 500 Cb 0.23 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1qh1 h LYS 500 CO -0.01 1.13 0.11 1.25 -3.45 0.00 0.00 179.45 178.48 1qh1 h LEU 501 N 0.83 1.01 -0.57 5.20 5.85 -0.99 -0.95 115.31 125.70 1qh1 h LEU 501 Ca 0.09 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1qh1 h LEU 501 Cb 0.86 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1qh1 h LEU 501 CO 0.08 1.01 0.36 0.44 -0.34 0.00 0.00 178.44 179.99 1qh1 h ASP 502 N 0.97 0.60 -0.71 1.25 3.32 -1.07 -0.96 116.42 119.82 1qh1 h ASP 502 Ca 0.20 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1qh1 h ASP 502 Cb 0.42 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1qh1 h ASP 502 CO 0.01 0.43 0.24 -1.28 -1.72 0.00 0.00 179.24 176.92 1qh1 h SER 503 N 0.72 1.03 0.44 6.45 0.87 -0.71 -2.03 113.55 120.33 1qh1 h SER 503 Ca 0.22 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1qh1 h SER 503 Cb -0.03 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 1qh1 h SER 503 CO -0.07 0.94 -0.29 0.44 -0.53 0.00 0.00 176.83 177.32 1qh1 h ASP 504 N 1.07 0.00 -0.50 6.23 3.32 -0.86 -2.70 116.42 122.98 1qh1 h ASP 504 Ca 0.24 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1qh1 h ASP 504 Cb 0.27 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 1qh1 h ASP 504 CO -0.01 0.29 0.10 0.35 -1.72 0.00 0.00 179.24 178.25 1qh1 n THR 505 N -3.89 2.64 -0.74 0.35 -2.24 -0.39 -4.59 114.28 105.42 1qh1 n THR 505 Ca -0.02 -1.91 0.08 0.00 -2.27 0.00 0.00 64.05 59.93 1qh1 n THR 505 Cb 0.36 -0.31 0.31 0.00 -2.10 0.00 0.00 70.33 68.59 1qh1 n THR 505 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qh1 n SER 506 N -0.42 4.45 -4.43 3.42 3.41 -0.89 -2.86 113.62 116.30 1qh1 n SER 506 Ca 0.32 -2.67 -0.44 0.00 -0.26 0.00 0.00 58.87 55.83 1qh1 n SER 506 Cb 1.15 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 1qh1 n SER 506 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qh1 s GLN 507 N -2.24 3.12 -0.16 4.33 -0.21 -1.26 -4.93 119.66 118.32 1qh1 s GLN 507 Ca 0.45 -0.93 -0.39 0.00 0.02 0.00 0.00 55.36 54.51 1qh1 s GLN 507 Cb 0.32 -4.19 -0.16 0.00 1.00 0.00 0.00 33.01 29.99 1qh1 s GLN 507 CO 0.17 -1.55 1.62 -0.11 -2.12 0.00 0.00 175.29 173.30 1qh1 n LEU 508 N 6.87 2.19 0.00 2.90 7.94 -1.26 -1.17 117.00 134.47 1qh1 n LEU 508 Ca -0.06 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 1qh1 n LEU 508 Cb 0.45 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1qh1 n LEU 508 CO 0.60 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1qh1 n GLY 509 N 3.68 1.67 0.97 -3.96 0.00 -1.26 -4.83 105.19 101.46 1qh1 n GLY 509 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qh1 n GLY 509 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qh1 n LYS 510 N -2.00 0.02 -0.05 1.61 4.01 -0.32 -4.91 118.16 116.52 1qh1 n LYS 510 Ca 0.00 0.01 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1qh1 n LYS 510 Cb 0.00 -0.29 0.08 0.00 -0.51 0.00 0.00 35.03 34.31 1qh1 n LYS 510 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1qh1 n THR 511 N -3.03 0.26 1.70 -0.18 -2.24 -0.75 -4.62 114.28 105.42 1qh1 n THR 511 Ca -0.00 -0.63 0.04 0.00 -2.27 0.00 0.00 64.05 61.19 1qh1 n THR 511 Cb 0.01 1.05 0.18 0.00 -2.10 0.00 0.00 70.33 69.47 1qh1 n THR 511 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qh1 n ASP 512 N 0.62 0.54 0.14 3.42 5.75 -1.14 -2.77 116.55 123.10 1qh1 n ASP 512 Ca 0.08 -1.86 0.13 0.00 -0.01 0.00 0.00 54.79 53.13 1qh1 n ASP 512 Cb 0.32 -0.06 0.65 0.00 -1.03 0.00 0.00 41.12 41.00 1qh1 n ASP 512 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1qh1 h TYR 513 N 0.62 0.04 -0.38 2.11 -0.00 -1.84 -2.43 116.97 115.09 1qh1 h TYR 513 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.61 1qh1 h TYR 513 Cb 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 36.73 36.79 1qh1 h TYR 513 CO 0.06 0.02 0.03 0.45 -0.00 0.00 0.00 178.16 178.72 1qh1 n SER 514 N -4.47 3.40 -3.32 0.10 2.88 -1.12 -4.80 113.62 106.29 1qh1 n SER 514 Ca 0.03 -3.37 -0.38 0.00 -1.33 0.00 0.00 58.87 53.81 1qh1 n SER 514 Cb 0.29 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 1qh1 n SER 514 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1qh1 n PHE 515 N -0.77 2.41 -1.90 0.66 7.35 -0.92 -4.91 117.46 119.38 1qh1 n PHE 515 Ca 0.30 -2.77 -0.41 0.00 -0.76 0.00 0.00 57.45 53.80 1qh1 n PHE 515 Cb 1.04 -1.93 -0.02 0.00 0.35 0.00 0.00 39.48 38.92 1qh1 n PHE 515 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1qh1 s ASP 516 N 0.78 6.52 0.14 -2.13 1.11 -1.26 -4.93 116.67 116.90 1qh1 s ASP 516 Ca 0.58 2.79 -0.18 0.00 0.18 0.00 0.00 52.55 55.92 1qh1 s ASP 516 Cb 0.20 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1qh1 s ASP 516 CO -0.10 -0.80 1.78 0.25 1.18 0.00 0.00 175.17 177.48 1qh1 h LEU 517 N 5.06 0.26 -8.79 1.23 5.85 -2.00 -3.42 115.31 113.50 1qh1 h LEU 517 Ca -0.46 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 57.62 1qh1 h LEU 517 Cb 1.22 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.98 1qh1 h LEU 517 CO 0.79 0.19 -0.63 -0.69 -0.34 0.00 0.00 178.44 177.76 1qh1 s VAL 518 N -6.17 4.22 0.00 1.05 1.01 -1.26 -5.28 120.40 113.97 1qh1 s VAL 518 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1qh1 s VAL 518 Cb 0.10 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1qh1 s VAL 518 CO 0.70 0.42 0.22 0.54 0.00 0.00 0.00 175.10 176.98