#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 0.26 0.08 4.33 -1.52 -1.26 -4.98 119.66 116.56 1qh1 s GLN 2 Ca 0.00 -0.30 0.02 0.00 -1.95 0.00 0.00 55.36 53.13 1qh1 s GLN 2 Cb 0.00 0.10 -0.04 0.00 -0.22 0.00 0.00 33.01 32.85 1qh1 s GLN 2 CO 0.00 -0.05 0.11 0.99 -0.25 0.00 0.00 175.29 176.09 1qh1 s THR 3 N -0.88 4.73 0.26 -0.19 2.01 -1.26 -5.03 115.64 115.27 1qh1 s THR 3 Ca -0.10 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1qh1 s THR 3 Cb -0.06 -3.29 0.26 0.00 0.01 0.00 0.00 72.50 69.42 1qh1 s THR 3 CO -0.00 0.12 1.93 -0.29 -0.69 0.00 0.00 174.62 175.69 1qh1 h ILE 4 N 2.43 1.25 0.00 1.82 6.09 -2.02 -2.76 117.51 124.33 1qh1 h ILE 4 Ca -0.46 -0.46 -0.04 0.00 -1.37 0.00 0.00 64.86 62.52 1qh1 h ILE 4 Cb 1.16 -0.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.26 1qh1 h ILE 4 CO 0.68 0.24 -0.20 -0.78 -3.07 0.00 0.00 178.15 175.03 1qh1 h ASP 5 N 1.33 0.00 -2.00 2.19 1.82 -2.08 -3.38 116.42 114.30 1qh1 h ASP 5 Ca 0.36 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.59 1qh1 h ASP 5 Cb -0.15 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 39.54 1qh1 h ASP 5 CO -0.08 0.20 -0.73 -1.59 -1.61 0.00 0.00 179.24 175.43 1qh1 s LYS 6 N -3.56 0.71 0.07 0.28 0.00 -1.04 -5.12 119.74 111.07 1qh1 s LYS 6 Ca 0.01 -1.14 -0.30 0.00 0.00 0.00 0.00 55.97 54.54 1qh1 s LYS 6 Cb 0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 37.83 37.04 1qh1 s LYS 6 CO 0.63 -1.24 1.09 0.42 0.00 0.00 0.00 175.35 176.25 1qh1 s ILE 7 N 1.11 4.31 -0.13 3.79 1.01 -1.23 -4.26 121.20 125.81 1qh1 s ILE 7 Ca 0.21 1.73 -0.03 0.00 0.00 0.00 0.00 60.65 62.56 1qh1 s ILE 7 Cb -0.12 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1qh1 s ILE 7 CO -0.05 0.17 -0.03 0.20 0.00 0.00 0.00 174.94 175.24 1qh1 s ASN 8 N 0.76 4.92 1.00 3.58 0.01 -1.26 -5.07 114.94 118.88 1qh1 s ASN 8 Ca 0.54 -0.03 -0.12 0.00 -0.71 0.00 0.00 52.86 52.53 1qh1 s ASN 8 Cb -0.26 -1.62 0.19 0.00 0.41 0.00 0.00 41.25 39.97 1qh1 s ASN 8 CO 0.30 0.25 1.10 -0.44 -1.51 0.00 0.00 177.10 176.80 1qh1 s SER 9 N -0.12 2.63 0.02 -1.22 0.01 -1.26 -4.53 113.70 109.23 1qh1 s SER 9 Ca 0.03 1.15 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 1qh1 s SER 9 Cb -0.13 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1qh1 s SER 9 CO 0.02 -3.12 0.28 0.00 0.41 0.00 0.00 173.24 170.84 1qh1 s TYR 11 N -4.59 3.21 -1.15 0.00 5.04 -1.26 -1.11 117.35 117.49 1qh1 s TYR 11 Ca -0.02 0.05 0.17 0.00 -2.44 0.00 0.00 57.07 54.84 1qh1 s TYR 11 Cb 0.02 -2.34 0.59 0.00 0.35 0.00 0.00 41.96 40.58 1qh1 s TYR 11 CO 0.09 -0.15 1.50 -0.35 -1.34 0.00 0.00 175.55 175.31 1qh1 n PRO 12 N 4.89 3.25 -0.29 4.97 -0.04 -0.99 -4.99 135.00 141.80 1qh1 n PRO 12 Ca -0.15 -2.65 0.10 0.00 -0.04 0.00 0.00 63.50 60.76 1qh1 n PRO 12 Cb 0.52 -1.68 0.23 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.41 -0.29 0.00 1.53 5.85 -0.37 -1.39 115.31 124.05 1qh1 h LEU 13 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1qh1 h LEU 13 Cb 1.19 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1qh1 h LEU 13 CO 0.13 -0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.50 1qh1 n PHE 14 N -5.35 0.00 0.40 1.25 3.72 -0.27 -1.78 117.46 115.43 1qh1 n PHE 14 Ca 0.18 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 1qh1 n PHE 14 Cb 0.61 -0.32 0.47 0.00 -0.94 0.00 0.00 39.48 39.31 1qh1 n PHE 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1qh1 h GLU 15 N 0.00 0.00 -7.12 -1.08 4.39 -1.51 -3.37 114.58 105.89 1qh1 h GLU 15 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1qh1 h GLU 15 Cb 0.21 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.00 1qh1 h GLU 15 CO 0.00 0.00 0.47 -0.65 -1.16 0.00 0.00 179.01 177.67 1qh1 s GLN 16 N -3.34 2.62 0.20 2.33 -0.21 -0.73 -4.72 119.66 115.81 1qh1 s GLN 16 Ca 0.05 1.88 -0.10 0.00 0.02 0.00 0.00 55.36 57.21 1qh1 s GLN 16 Cb 0.09 -1.88 0.23 0.00 1.00 0.00 0.00 33.01 32.45 1qh1 s GLN 16 CO 0.52 -1.49 1.78 -0.44 -2.12 0.00 0.00 175.29 173.53 1qh1 h ASP 17 N 0.46 0.38 -0.45 5.90 3.32 -1.91 -0.22 116.42 123.89 1qh1 h ASP 17 Ca -0.50 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1qh1 h ASP 17 Cb 1.31 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1qh1 h ASP 17 CO 0.53 0.24 0.30 1.05 -1.72 0.00 0.00 179.24 179.64 1qh1 h GLU 18 N 0.52 0.51 0.08 3.56 9.09 -1.95 -1.59 114.58 124.80 1qh1 h GLU 18 Ca 0.28 -0.03 -0.25 0.00 0.05 0.00 0.00 59.36 59.41 1qh1 h GLU 18 Cb 0.25 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 1qh1 h GLU 18 CO -0.22 0.34 -1.13 1.88 0.05 0.00 0.00 179.01 179.93 1qh1 h TYR 19 N 0.53 0.46 -0.77 2.06 0.05 -1.43 -2.04 116.97 115.83 1qh1 h TYR 19 Ca 0.18 -0.31 0.01 0.00 0.05 0.00 0.00 58.73 58.66 1qh1 h TYR 19 Cb 0.07 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1qh1 h TYR 19 CO -0.00 1.20 0.51 1.96 -1.05 0.00 0.00 178.16 180.78 1qh1 h GLN 20 N 0.10 1.00 -0.33 4.88 1.08 -0.62 -0.53 115.11 120.68 1qh1 h GLN 20 Ca -0.11 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 56.90 1qh1 h GLN 20 Cb 1.83 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 29.03 1qh1 h GLN 20 CO 0.18 0.66 -0.35 1.49 -0.95 0.00 0.00 178.83 179.86 1qh1 h GLU 21 N 1.03 0.75 -0.24 1.46 4.81 -1.33 -1.73 114.58 119.32 1qh1 h GLU 21 Ca 0.28 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1qh1 h GLU 21 Cb -0.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1qh1 h GLU 21 CO -0.06 0.98 0.09 1.25 -0.73 0.00 0.00 179.01 180.54 1qh1 h LEU 22 N 0.62 0.11 -0.67 1.64 5.85 -0.76 -1.09 115.31 121.02 1qh1 h LEU 22 Ca 0.06 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1qh1 h LEU 22 Cb 0.89 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1qh1 h LEU 22 CO 0.08 0.09 0.18 -0.26 -0.34 0.00 0.00 178.44 178.20 1qh1 h PHE 23 N 0.20 1.10 -0.65 1.25 0.04 -0.88 0.29 116.94 118.28 1qh1 h PHE 23 Ca 0.10 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1qh1 h PHE 23 Cb 0.07 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1qh1 h PHE 23 CO -0.12 0.90 0.41 0.00 -0.60 0.00 0.00 178.31 178.89 1qh1 h ARG 24 N 0.98 0.88 -0.51 1.51 -0.00 -0.85 -0.38 114.38 116.01 1qh1 h ARG 24 Ca 0.21 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.98 59.54 1qh1 h ARG 24 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 1qh1 h ARG 24 CO -0.00 0.61 -0.01 -0.91 0.00 0.00 0.00 179.97 179.66 1qh1 h ASN 25 N 0.89 0.89 -0.41 7.04 2.35 -0.99 -2.97 115.58 122.37 1qh1 h ASN 25 Ca 0.24 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1qh1 h ASN 25 Cb -0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1qh1 h ASN 25 CO -0.05 0.99 -0.06 0.50 -1.65 0.00 0.00 177.43 177.16 1qh1 h LYS 26 N 0.77 0.84 -0.57 0.81 3.64 -0.55 -2.89 116.57 118.63 1qh1 h LYS 26 Ca 0.14 -0.26 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1qh1 h LYS 26 Cb 0.54 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1qh1 h LYS 26 CO 0.03 0.88 0.39 -0.09 -2.27 0.00 0.00 179.45 178.40 1qh1 h ARG 27 N 0.77 0.20 0.00 1.90 2.43 -0.91 -0.08 114.38 118.69 1qh1 h ARG 27 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1qh1 h ARG 27 Cb 0.55 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1qh1 h ARG 27 CO 0.03 0.13 0.00 1.04 -1.51 0.00 0.00 179.97 179.67 1qh1 n GLN 28 N -4.44 0.09 -0.02 0.20 6.02 -1.09 -2.08 117.38 116.07 1qh1 n GLN 28 Ca 0.10 0.36 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 1qh1 n GLN 28 Cb 0.50 -1.69 0.11 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.86 3.02 -0.20 1.08 4.77 -0.05 -4.48 117.00 119.28 1qh1 n LEU 29 Ca 0.02 -1.05 0.11 0.00 -0.03 0.00 0.00 56.01 55.06 1qh1 n LEU 29 Cb 0.18 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1qh1 n LEU 29 CO 0.15 0.52 0.14 -0.62 -1.33 0.00 0.00 177.39 176.26 1qh1 n GLU 30 N 1.34 0.49 -3.79 3.23 1.02 -0.88 -4.99 120.64 117.06 1qh1 n GLU 30 Ca 0.14 -0.40 -0.27 0.00 -0.02 0.00 0.00 57.16 56.61 1qh1 n GLU 30 Cb 0.59 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.91 -2.67 -2.01 3.49 1.02 -1.26 -4.89 120.64 113.41 1qh1 n GLU 31 Ca 0.06 0.46 -0.37 0.00 -0.02 0.00 0.00 57.16 57.30 1qh1 n GLU 31 Cb 0.38 -4.46 0.02 0.00 -0.02 0.00 0.00 31.44 27.36 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 -3.70 2.76 0.45 0.62 0.00 -1.26 -4.97 121.76 115.66 1qh1 s ALA 32 Ca 0.20 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 1qh1 s ALA 32 Cb -0.07 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1qh1 s ALA 32 CO 0.86 -1.09 1.33 -1.01 0.00 0.00 0.00 175.76 175.85 1qh1 s HIS 33 N -1.48 2.62 0.67 0.00 3.76 -1.26 -4.95 115.29 114.65 1qh1 s HIS 33 Ca 0.72 1.38 -0.17 0.00 -0.15 0.00 0.00 55.06 56.84 1qh1 s HIS 33 Cb -0.33 -3.72 0.01 0.00 1.11 0.00 0.00 32.58 29.64 1qh1 s HIS 33 CO 0.38 -2.40 1.23 0.16 -0.85 0.00 0.00 174.74 173.27 1qh1 s ASP 34 N -0.81 4.54 0.29 1.40 1.47 -1.26 -4.80 116.67 117.50 1qh1 s ASP 34 Ca 0.62 2.45 0.03 0.00 1.18 0.00 0.00 52.55 56.83 1qh1 s ASP 34 Cb -0.39 -2.60 0.62 0.00 -0.34 0.00 0.00 42.92 40.21 1qh1 s ASP 34 CO 0.49 -2.03 1.82 0.00 0.68 0.00 0.00 175.17 176.12 1qh1 h ALA 35 N 0.23 1.57 -0.76 2.11 0.00 -1.99 -1.26 119.26 119.15 1qh1 h ALA 35 Ca -0.49 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1qh1 h ALA 35 Cb 1.31 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1qh1 h ALA 35 CO 0.52 0.13 0.45 0.37 0.00 0.00 0.00 179.25 180.73 1qh1 h GLN 36 N 0.92 1.04 -0.34 0.00 4.15 -1.99 0.36 115.11 119.25 1qh1 h GLN 36 Ca 0.53 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.68 1qh1 h GLN 36 Cb 0.63 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1qh1 h GLN 36 CO -0.31 0.75 -0.44 -0.09 -1.93 0.00 0.00 178.83 176.81 1qh1 h ARG 37 N 1.05 0.89 -0.38 1.69 9.65 -1.66 -0.65 114.38 124.97 1qh1 h ARG 37 Ca 0.27 -0.50 -0.08 0.00 -1.10 0.00 0.00 59.98 58.57 1qh1 h ARG 37 Cb -0.02 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1qh1 h ARG 37 CO -0.05 1.14 -0.11 0.28 2.80 0.00 0.00 179.97 184.04 1qh1 h VAL 38 N 0.71 1.25 -0.51 0.20 2.07 -0.81 -0.90 116.25 118.25 1qh1 h VAL 38 Ca 0.04 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1qh1 h VAL 38 Cb 1.04 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1qh1 h VAL 38 CO 0.10 0.37 0.02 -0.61 0.02 0.00 0.00 177.57 177.47 1qh1 h GLN 39 N 0.60 0.89 -0.86 1.57 5.75 -0.68 0.76 115.11 123.14 1qh1 h GLN 39 Ca 0.11 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1qh1 h GLN 39 Cb 0.54 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1qh1 h GLN 39 CO 0.03 0.91 0.45 0.93 -2.65 0.00 0.00 178.83 178.49 1qh1 h GLU 40 N 0.76 1.22 -0.18 1.69 5.08 -0.43 -1.09 114.58 121.63 1qh1 h GLU 40 Ca 0.15 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1qh1 h GLU 40 Cb 0.49 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qh1 h GLU 40 CO 0.02 0.92 -0.66 0.28 -1.00 0.00 0.00 179.01 178.57 1qh1 h VAL 41 N 1.22 1.29 -0.25 3.13 2.07 -0.85 -1.76 116.25 121.10 1qh1 h VAL 41 Ca 0.30 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.99 1qh1 h VAL 41 Cb 0.07 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1qh1 h VAL 41 CO -0.04 0.59 0.02 0.15 0.02 0.00 0.00 177.57 178.31 1qh1 h PHE 42 N 0.49 0.02 -0.69 1.57 3.57 -0.64 -0.61 116.94 120.66 1qh1 h PHE 42 Ca -0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1qh1 h PHE 42 Cb 1.29 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1qh1 h PHE 42 CO 0.09 -0.02 0.41 0.00 -2.23 0.00 0.00 178.31 176.56 1qh1 h ALA 43 N 1.20 0.91 -0.15 2.41 0.00 -1.09 -1.33 119.26 121.22 1qh1 h ALA 43 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qh1 h ALA 43 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qh1 h ALA 43 CO -0.18 0.14 0.00 2.35 0.00 0.00 0.00 179.25 181.55 1qh1 h TRP 44 N 0.78 0.21 0.00 0.00 7.01 -0.68 -0.87 115.95 122.40 1qh1 h TRP 44 Ca 0.29 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.29 1qh1 h TRP 44 Cb 0.10 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1qh1 h TRP 44 CO -0.06 0.22 0.00 0.25 -2.79 0.00 0.00 178.44 176.06 1qh1 n THR 45 N -4.41 0.85 0.90 2.65 -2.24 -0.29 -1.55 114.28 110.19 1qh1 n THR 45 Ca -0.01 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1qh1 n THR 45 Cb 0.16 -0.94 0.30 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.47 0.29 -3.03 4.28 -2.24 -0.33 -4.82 114.28 106.96 1qh1 n THR 46 Ca 0.04 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 1qh1 n THR 46 Cb 0.18 0.66 0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.71 3.27 0.29 4.28 -4.23 -0.59 -4.64 115.64 112.31 1qh1 s THR 47 Ca 0.34 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1qh1 s THR 47 Cb 0.20 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.97 1qh1 s THR 47 CO 0.29 -0.07 1.74 0.00 -0.54 0.00 0.00 174.62 176.04 1qh1 h ALA 48 N 0.55 1.14 -0.68 3.99 0.00 -1.95 -1.50 119.26 120.81 1qh1 h ALA 48 Ca -0.42 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1qh1 h ALA 48 Cb 1.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1qh1 h ALA 48 CO 0.50 0.54 0.16 1.49 0.00 0.00 0.00 179.25 181.94 1qh1 h GLU 49 N 0.40 1.09 -0.43 0.00 4.81 -1.94 -1.07 114.58 117.45 1qh1 h GLU 49 Ca 0.06 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1qh1 h GLU 49 Cb 0.64 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1qh1 h GLU 49 CO 0.05 0.97 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.23 1qh1 h TYR 50 N 1.02 0.98 -0.54 0.92 3.20 -1.72 -2.82 116.97 118.01 1qh1 h TYR 50 Ca 0.21 -0.22 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1qh1 h TYR 50 Cb 0.37 -0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 1qh1 h TYR 50 CO 0.03 0.99 0.15 1.49 -1.64 0.00 0.00 178.16 179.17 1qh1 h GLU 51 N 0.68 0.29 -0.77 1.82 4.81 -1.01 0.17 114.58 120.58 1qh1 h GLU 51 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1qh1 h GLU 51 Cb 0.70 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1qh1 h GLU 51 CO 0.05 0.19 0.46 0.00 -0.73 0.00 0.00 179.01 178.98 1qh1 h ALA 52 N 1.40 0.98 -0.44 2.92 0.00 -1.02 -0.74 119.26 122.36 1qh1 h ALA 52 Ca 0.27 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1qh1 h ALA 52 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qh1 h ALA 52 CO -0.32 0.45 -0.10 -0.07 0.00 0.00 0.00 179.25 179.20 1qh1 h LEU 53 N 1.05 0.77 -0.82 0.00 3.38 -1.18 -2.69 115.31 115.81 1qh1 h LEU 53 Ca 0.27 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1qh1 h LEU 53 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1qh1 h LEU 53 CO -0.05 0.90 0.54 -1.13 0.09 0.00 0.00 178.44 178.79 1qh1 h ASN 54 N 0.71 0.93 0.00 -0.43 -1.24 -0.15 -1.69 115.58 113.71 1qh1 h ASN 54 Ca 0.12 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1qh1 h ASN 54 Cb 0.58 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1qh1 h ASN 54 CO 0.04 0.67 0.00 0.49 -1.29 0.00 0.00 177.43 177.33 1qh1 n PHE 55 N -4.53 0.00 1.26 0.67 3.01 -0.33 -2.38 117.46 115.17 1qh1 n PHE 55 Ca 0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.68 1qh1 n PHE 55 Cb 0.03 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 39.97 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 -0.92 0.63 -1.75 -1.08 1.74 -0.63 -4.96 116.66 109.68 1qh1 n ARG 56 Ca 0.20 -0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1qh1 n ARG 56 Cb 0.09 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1qh1 n ARG 56 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qh1 n ARG 57 N -0.92 2.59 0.00 5.56 1.74 -1.00 -4.89 116.66 119.73 1qh1 n ARG 57 Ca 0.12 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1qh1 n ARG 57 Cb 0.32 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 1qh1 n ARG 57 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qh1 n GLU 58 N 1.19 3.19 0.00 5.56 1.02 -1.26 -4.93 120.64 125.41 1qh1 n GLU 58 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1qh1 n GLU 58 Cb 0.37 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.86 1.94 -2.69 0.62 0.00 -1.26 -5.04 120.51 113.22 1qh1 n ALA 59 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1qh1 n ALA 59 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 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 -4.17 4.31 -0.04 0.00 2.96 -1.26 -5.08 118.68 115.39 1qh1 s LEU 60 Ca 0.00 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1qh1 s LEU 60 Cb 0.00 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1qh1 s LEU 60 CO 0.00 -0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.00 1qh1 s THR 61 N 0.61 3.44 -0.04 3.68 2.01 -1.26 -4.95 115.64 119.13 1qh1 s THR 61 Ca 0.32 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1qh1 s THR 61 Cb -0.17 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1qh1 s THR 61 CO 0.15 0.54 0.04 -0.69 -0.69 0.00 0.00 174.62 173.97 1qh1 s VAL 62 N -0.83 -0.01 -0.68 3.82 1.01 -1.26 -4.91 120.40 117.54 1qh1 s VAL 62 Ca 0.13 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1qh1 s VAL 62 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1qh1 s VAL 62 CO 0.02 0.18 0.62 0.47 0.00 0.00 0.00 175.10 176.39 1qh1 n ASP 63 N 5.09 -6.11 -4.70 3.32 8.00 -1.26 -2.88 116.55 118.01 1qh1 n ASP 63 Ca -0.08 -0.27 -0.33 0.00 0.71 0.00 0.00 54.79 54.82 1qh1 n ASP 63 Cb 0.50 -4.27 0.13 0.00 -0.02 0.00 0.00 41.12 37.47 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 -3.47 1.52 -0.48 -0.24 0.04 -1.26 -0.51 135.00 130.60 1qh1 s PRO 64 Ca 0.16 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1qh1 s PRO 64 Cb -0.02 -1.77 0.39 0.00 0.04 0.00 0.00 34.50 33.13 1qh1 s PRO 64 CO 0.58 -2.28 0.99 0.00 0.04 0.00 0.00 177.00 176.33 1qh1 n ALA 65 N -3.55 4.43 -3.51 8.56 0.00 -1.26 -4.74 120.51 120.44 1qh1 n ALA 65 Ca 0.13 -4.26 -0.09 0.00 0.00 0.00 0.00 53.44 49.22 1qh1 n ALA 65 Cb 0.51 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.36 0.87 0.05 0.00 -2.85 -1.26 -4.49 119.74 108.71 1qh1 s LYS 66 Ca 0.45 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1qh1 s LYS 66 Cb 0.35 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.52 1qh1 s LYS 66 CO -0.13 -0.38 0.00 0.00 0.10 0.00 0.00 175.35 174.93 1qh1 n ALA 67 N -0.26 0.05 -2.89 0.59 0.00 -1.26 -5.02 120.51 111.71 1qh1 n ALA 67 Ca -0.09 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1qh1 n ALA 67 Cb 0.62 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 1.31 -0.09 -0.48 0.00 4.20 -1.80 -2.49 115.11 115.76 1qh1 h GLN 69 Ca -0.50 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.35 1qh1 h GLN 69 Cb 1.23 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1qh1 h GLN 69 CO 0.61 -0.06 0.34 -1.00 -0.67 0.00 0.00 178.83 178.05 1qh1 h PRO 70 N -0.10 0.04 -0.54 1.46 0.13 -1.80 -1.02 132.00 130.17 1qh1 h PRO 70 Ca 0.14 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.38 1qh1 h PRO 70 Cb 0.46 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.49 1qh1 h PRO 70 CO -0.86 0.03 -0.02 1.25 -0.23 0.00 0.00 178.00 178.17 1qh1 h LEU 71 N 0.04 -0.28 -0.78 1.56 5.85 -1.79 -0.55 115.31 119.36 1qh1 h LEU 71 Ca 0.23 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 1qh1 h LEU 71 Cb 0.86 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1qh1 h LEU 71 CO -0.01 -0.10 -0.39 1.23 -0.34 0.00 0.00 178.44 178.83 1qh1 h GLY 72 N 0.10 0.49 1.05 3.75 0.00 -1.28 -2.28 103.07 104.91 1qh1 h GLY 72 Ca 0.28 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1qh1 h GLY 72 CO -0.47 0.43 0.20 0.00 0.00 0.00 0.00 176.54 176.69 1qh1 h ALA 73 N 1.20 0.93 -0.41 3.60 0.00 -1.03 -1.35 119.26 122.21 1qh1 h ALA 73 Ca 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qh1 h ALA 73 Cb 0.85 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1qh1 h ALA 73 CO 0.07 0.63 0.26 0.28 0.00 0.00 0.00 179.25 180.50 1qh1 h VAL 74 N 1.06 1.09 -0.52 0.00 2.07 -1.02 -0.89 116.25 118.04 1qh1 h VAL 74 Ca 0.23 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1qh1 h VAL 74 Cb 0.34 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1qh1 h VAL 74 CO -0.00 0.10 -0.07 0.25 0.02 0.00 0.00 177.57 177.86 1qh1 h LEU 75 N 0.53 0.97 -0.77 2.57 5.85 -1.16 -1.17 115.31 122.13 1qh1 h LEU 75 Ca 0.15 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1qh1 h LEU 75 Cb -0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1qh1 h LEU 75 CO -0.05 1.08 0.50 0.00 -0.34 0.00 0.00 178.44 179.64 1qh1 h SER 77 N 1.00 1.07 -0.03 0.00 0.02 -0.68 -1.79 113.55 113.15 1qh1 h SER 77 Ca 0.30 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1qh1 h SER 77 Cb -0.06 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 1qh1 h SER 77 CO -0.09 0.97 0.13 -0.07 -1.14 0.00 0.00 176.83 176.63 1qh1 h LEU 78 N 1.12 0.00 -0.64 5.07 3.38 -1.07 -2.27 115.31 120.89 1qh1 h LEU 78 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qh1 h LEU 78 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qh1 h LEU 78 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1qh1 n GLY 79 N -1.18 -0.12 3.49 0.83 0.00 -0.67 -4.51 105.19 103.03 1qh1 n GLY 79 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.76 2.60 0.33 1.61 0.40 -0.86 -0.93 117.98 119.38 1qh1 s PHE 80 Ca 0.10 -0.23 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1qh1 s PHE 80 Cb 0.06 -1.45 -0.11 0.00 0.51 0.00 0.00 43.02 42.02 1qh1 s PHE 80 CO 0.07 0.31 1.55 0.00 0.70 0.00 0.00 175.22 177.85 1qh1 n ALA 81 N 1.30 2.50 -4.03 5.36 0.00 0.33 -3.07 120.51 122.91 1qh1 n ALA 81 Ca -0.16 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 1qh1 n ALA 81 Cb 0.52 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 1qh1 n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qh1 n ASN 82 N 1.41 -3.23 -4.50 0.00 3.02 -1.26 -4.67 115.26 106.04 1qh1 n ASN 82 Ca 0.05 -0.91 -0.34 0.00 -0.03 0.00 0.00 54.58 53.36 1qh1 n ASN 82 Cb 0.38 -3.32 -0.12 0.00 -0.61 0.00 0.00 39.78 36.11 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 -3.43 3.73 -0.28 3.41 2.01 -1.17 -1.42 115.64 118.49 1qh1 s THR 83 Ca 0.54 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 1qh1 s THR 83 Cb -0.28 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1qh1 s THR 83 CO 0.88 0.52 0.07 -0.22 -0.69 0.00 0.00 174.62 175.18 1qh1 s LEU 84 N 0.07 3.66 0.37 4.42 2.96 0.06 -4.83 118.68 125.40 1qh1 s LEU 84 Ca -0.01 -0.51 -0.27 0.00 -0.22 0.00 0.00 54.13 53.12 1qh1 s LEU 84 Cb -0.14 -1.89 -0.10 0.00 0.50 0.00 0.00 46.19 44.56 1qh1 s LEU 84 CO 0.03 -0.13 1.32 -2.84 -1.32 0.00 0.00 176.35 173.41 1qh1 s PRO 85 N 1.55 4.13 -0.07 0.98 0.02 -1.26 -1.91 135.00 138.43 1qh1 s PRO 85 Ca 0.04 2.21 -0.03 0.00 0.02 0.00 0.00 61.00 63.24 1qh1 s PRO 85 Cb -0.16 -2.90 0.04 0.00 0.02 0.00 0.00 34.50 31.50 1qh1 s PRO 85 CO 0.03 -0.37 0.14 -0.47 -0.33 0.00 0.00 177.00 175.99 1qh1 s TYR 86 N -1.20 -0.14 -0.29 6.54 6.14 -0.17 -1.38 117.35 126.84 1qh1 s TYR 86 Ca 0.53 0.52 -0.02 0.00 0.64 0.00 0.00 57.07 58.74 1qh1 s TYR 86 Cb -0.39 -0.24 0.04 0.00 0.42 0.00 0.00 41.96 41.78 1qh1 s TYR 86 CO 0.52 -0.23 -0.00 0.08 0.64 0.00 0.00 175.55 176.55 1qh1 s VAL 87 N 1.97 3.09 -0.10 3.14 1.01 -0.20 -1.18 120.40 128.13 1qh1 s VAL 87 Ca -0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1qh1 s VAL 87 Cb -0.12 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1qh1 s VAL 87 CO -0.05 -0.02 1.37 -2.28 0.00 0.00 0.00 175.10 174.12 1qh1 s HIS 88 N 1.30 2.69 -2.39 5.22 2.46 0.31 -3.42 115.29 121.46 1qh1 s HIS 88 Ca -0.03 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1qh1 s HIS 88 Cb -0.19 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 1qh1 s HIS 88 CO -0.01 -2.26 0.00 0.41 -2.47 0.00 0.00 174.74 170.40 1qh1 n GLY 89 N 3.71 0.20 3.84 1.59 0.00 -1.26 -1.61 105.19 111.66 1qh1 n GLY 89 Ca 0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 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 6.82 0.43 1.61 1.04 -1.26 -1.11 113.70 117.23 1qh1 s SER 90 Ca 0.00 1.03 0.24 0.00 0.48 0.00 0.00 55.95 57.70 1qh1 s SER 90 Cb 0.00 -2.27 0.80 0.00 0.10 0.00 0.00 66.02 64.65 1qh1 s SER 90 CO 0.00 0.17 1.77 0.06 0.98 0.00 0.00 173.24 176.22 1qh1 h GLN 91 N 3.86 0.00 -0.55 4.02 3.07 -1.91 -3.05 115.11 120.55 1qh1 h GLN 91 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1qh1 h GLN 91 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 1qh1 h GLN 91 CO 0.65 0.20 0.36 0.78 0.09 0.00 0.00 178.83 180.91 1qh1 h GLY 92 N 2.49 0.78 0.73 0.06 0.00 -1.97 -2.16 103.07 102.99 1qh1 h GLY 92 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1qh1 h GLY 92 CO 0.03 0.29 0.10 0.00 0.00 0.00 0.00 176.54 176.96 1qh1 h VAL 94 N 0.23 1.25 -0.89 0.00 2.07 -1.58 0.37 116.25 117.70 1qh1 h VAL 94 Ca 0.14 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1qh1 h VAL 94 Cb 0.11 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1qh1 h VAL 94 CO -0.14 0.39 0.57 0.00 0.02 0.00 0.00 177.57 178.40 1qh1 h ALA 95 N 1.22 1.19 -0.12 1.67 0.00 -1.22 -1.18 119.26 120.82 1qh1 h ALA 95 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1qh1 h ALA 95 Cb 0.58 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1qh1 h ALA 95 CO 0.04 0.38 -0.79 1.88 0.00 0.00 0.00 179.25 180.76 1qh1 h TYR 96 N 1.08 1.02 -0.30 0.00 0.05 -0.99 -2.08 116.97 115.76 1qh1 h TYR 96 Ca 0.37 -0.47 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1qh1 h TYR 96 Cb 0.07 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1qh1 h TYR 96 CO -0.02 1.30 0.16 0.74 -1.05 0.00 0.00 178.16 179.29 1qh1 h PHE 97 N 0.46 0.41 -0.18 4.88 0.04 -0.66 -0.44 116.94 121.44 1qh1 h PHE 97 Ca -0.06 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.73 1qh1 h PHE 97 Cb 1.42 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 39.41 1qh1 h PHE 97 CO 0.09 0.33 -0.03 0.00 -0.60 0.00 0.00 178.31 178.10 1qh1 h ARG 98 N 0.36 0.02 -0.60 1.51 3.08 -1.21 -2.38 114.38 115.16 1qh1 h ARG 98 Ca 0.10 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1qh1 h ARG 98 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1qh1 h ARG 98 CO -0.02 0.01 0.39 1.15 -1.07 0.00 0.00 179.97 180.44 1qh1 h THR 99 N 0.02 1.14 -0.00 2.04 2.02 -1.22 0.22 112.91 117.12 1qh1 h THR 99 Ca 0.09 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1qh1 h THR 99 Cb 0.13 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1qh1 h THR 99 CO -0.18 0.15 -0.12 0.22 0.37 0.00 0.00 175.52 175.96 1qh1 h TYR 100 N 0.80 -0.31 -0.02 3.16 3.20 -0.96 -1.86 116.97 120.98 1qh1 h TYR 100 Ca 0.23 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 1qh1 h TYR 100 Cb -0.07 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1qh1 h TYR 100 CO -0.04 -0.18 -0.68 0.74 -1.64 0.00 0.00 178.16 176.36 1qh1 h PHE 101 N -0.20 0.15 -0.80 -3.82 0.04 -1.12 -2.99 116.94 108.20 1qh1 h PHE 101 Ca 0.04 -0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.87 1qh1 h PHE 101 Cb 0.26 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.30 1qh1 h PHE 101 CO -0.18 0.75 0.41 -0.91 -0.60 0.00 0.00 178.31 177.78 1qh1 h ASN 102 N 0.07 0.52 1.48 2.17 -0.26 -0.22 -1.11 115.58 118.23 1qh1 h ASN 102 Ca -0.01 0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 1qh1 h ASN 102 Cb 1.21 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 1qh1 h ASN 102 CO 0.10 0.26 -0.37 0.03 -1.06 0.00 0.00 177.43 176.39 1qh1 h ARG 103 N 0.64 0.00 0.01 0.81 3.08 -1.30 0.11 114.38 117.73 1qh1 h ARG 103 Ca 0.41 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.34 1qh1 h ARG 103 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1qh1 h ARG 103 CO -0.32 0.37 -0.66 1.25 -1.07 0.00 0.00 179.97 179.55 1qh1 h HIS 104 N 0.00 0.03 -0.00 3.04 2.76 -1.33 -3.40 115.15 116.25 1qh1 h HIS 104 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1qh1 h HIS 104 Cb 1.21 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1qh1 h HIS 104 CO 0.00 1.26 -0.30 1.19 -1.30 0.00 0.00 177.93 178.78 1qh1 n PHE 105 N -4.49 0.00 -3.73 5.26 3.72 -0.45 -4.68 117.46 113.09 1qh1 n PHE 105 Ca -0.21 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.95 1qh1 n PHE 105 Cb 0.60 -0.33 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 1qh1 n PHE 105 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1qh1 n LYS 106 N -1.44 -5.81 -4.05 -1.08 4.01 0.39 -4.98 118.16 105.21 1qh1 n LYS 106 Ca 0.07 0.67 -0.07 0.00 -0.51 0.00 0.00 58.31 58.47 1qh1 n LYS 106 Cb 0.33 -5.48 -0.10 0.00 -0.51 0.00 0.00 35.03 29.28 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 -6.19 0.63 0.59 1.97 0.41 -1.21 -5.07 118.70 109.84 1qh1 s GLU 107 Ca 0.33 -1.17 -0.17 0.00 -0.41 0.00 0.00 54.97 53.55 1qh1 s GLU 107 Cb -0.16 0.23 -0.04 0.00 -1.78 0.00 0.00 34.13 32.38 1qh1 s GLU 107 CO 0.80 -0.13 1.10 -1.25 -0.49 0.00 0.00 175.26 175.29 1qh1 s PRO 108 N -3.84 3.19 -0.18 0.39 0.04 -1.26 -4.28 135.00 129.06 1qh1 s PRO 108 Ca 0.06 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1qh1 s PRO 108 Cb 0.07 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1qh1 s PRO 108 CO -0.10 -0.95 0.03 0.42 0.04 0.00 0.00 177.00 176.44 1qh1 s ILE 109 N -2.12 0.53 -0.02 0.56 -1.09 -1.26 -4.96 121.20 112.84 1qh1 s ILE 109 Ca 0.68 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 58.35 1qh1 s ILE 109 Cb -0.20 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 1qh1 s ILE 109 CO 0.33 -0.17 0.71 0.00 -1.23 0.00 0.00 174.94 174.59 1qh1 s ALA 110 N 1.86 3.36 -0.29 9.38 0.00 -1.26 -4.90 121.76 129.92 1qh1 s ALA 110 Ca -0.00 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1qh1 s ALA 110 Cb -0.17 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.14 1qh1 s ALA 110 CO -0.08 -0.01 0.97 0.00 0.00 0.00 0.00 175.76 176.64 1qh1 s VAL 112 N 0.95 2.96 0.38 0.00 -7.23 -0.48 -5.00 120.40 111.98 1qh1 s VAL 112 Ca -0.05 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 1qh1 s VAL 112 Cb -0.04 -2.95 -0.07 0.00 0.56 0.00 0.00 36.38 33.87 1qh1 s VAL 112 CO -0.12 -0.18 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.90 1qh1 s SER 113 N -3.83 3.82 -0.05 4.85 0.15 -1.26 -1.03 113.70 116.35 1qh1 s SER 113 Ca 0.37 -1.28 0.12 0.00 0.70 0.00 0.00 55.95 55.86 1qh1 s SER 113 Cb -0.02 -0.38 0.37 0.00 -1.71 0.00 0.00 66.02 64.28 1qh1 s SER 113 CO 0.22 -0.33 1.30 -0.90 1.20 0.00 0.00 173.24 174.73 1qh1 n ASP 114 N -0.89 3.21 -3.52 5.45 5.68 -1.22 -4.92 116.55 120.34 1qh1 n ASP 114 Ca -0.05 -2.27 -0.21 0.00 -0.50 0.00 0.00 54.79 51.76 1qh1 n ASP 114 Cb 0.65 -0.32 0.05 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.26 -4.04 -4.73 -1.12 7.64 -1.13 -4.82 113.62 105.68 1qh1 n SER 115 Ca 0.14 -0.81 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 1qh1 n SER 115 Cb 0.56 -4.40 -0.03 0.00 -1.01 0.00 0.00 64.21 59.33 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 -5.39 4.41 0.00 1.43 -1.94 -0.27 -4.90 119.30 112.64 1qh1 s MET 116 Ca 0.26 1.94 0.00 0.00 -1.71 0.00 0.00 55.69 56.18 1qh1 s MET 116 Cb -0.06 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.52 1qh1 s MET 116 CO 0.79 -0.25 0.00 0.25 -0.01 0.00 0.00 175.02 175.80 1qh1 n THR 117 N 3.23 0.00 -0.25 2.05 -2.24 -1.26 -4.39 114.28 111.43 1qh1 n THR 117 Ca 0.08 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1qh1 n THR 117 Cb 0.44 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.22 -0.48 -0.78 5.08 -1.99 -1.02 114.58 115.60 1qh1 h GLU 118 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1qh1 h GLU 118 Cb 0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1qh1 h GLU 118 CO 0.00 0.14 0.19 -0.44 -1.00 0.00 0.00 179.01 177.90 1qh1 h ASP 119 N 0.22 0.22 0.43 1.42 3.32 -1.99 -2.52 116.42 117.53 1qh1 h ASP 119 Ca 0.41 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.40 1qh1 h ASP 119 Cb 0.72 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1qh1 h ASP 119 CO -0.54 0.16 -0.49 0.00 -1.72 0.00 0.00 179.24 176.64 1qh1 h ALA 120 N 1.30 1.12 -0.82 3.45 0.00 -1.61 -1.62 119.26 121.08 1qh1 h ALA 120 Ca 0.22 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1qh1 h ALA 120 Cb 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1qh1 h ALA 120 CO -0.21 0.63 0.54 0.00 0.00 0.00 0.00 179.25 180.20 1qh1 h ALA 121 N 1.44 1.80 0.15 0.00 0.00 -0.77 0.44 119.26 122.31 1qh1 h ALA 121 Ca -0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1qh1 h ALA 121 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qh1 h ALA 121 CO 0.07 0.02 -1.55 -0.39 0.00 0.00 0.00 179.25 177.40 1qh1 h VAL 122 N 0.71 1.00 0.00 0.00 -1.51 -1.32 -3.39 116.25 111.74 1qh1 h VAL 122 Ca 0.39 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 1qh1 h VAL 122 Cb 0.54 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.45 1qh1 h VAL 122 CO -0.16 0.77 -0.70 0.49 -1.23 0.00 0.00 177.57 176.74 1qh1 n PHE 123 N -3.78 0.11 0.00 5.19 3.72 -0.64 -5.08 117.46 116.97 1qh1 n PHE 123 Ca -0.25 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1qh1 n PHE 123 Cb 0.98 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.46 -0.07 1.95 1.37 0.00 0.15 -4.72 105.19 105.33 1qh1 n GLY 124 Ca 0.04 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 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 0.10 4.02 0.23 -0.02 0.00 -1.26 -4.57 105.19 103.69 1qh1 n GLY 125 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 0.87 0.40 -0.55 1.61 -0.00 -1.94 -1.16 115.58 114.81 1qh1 h ASN 126 Ca 0.48 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.30 56.55 1qh1 h ASN 126 Cb 2.24 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 40.43 1qh1 h ASN 126 CO 0.88 0.65 -0.02 0.78 -0.00 0.00 0.00 177.43 179.72 1qh1 h ASN 127 N 0.36 1.00 -0.73 1.15 2.35 -1.95 -1.06 115.58 116.70 1qh1 h ASN 127 Ca 0.06 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1qh1 h ASN 127 Cb 0.63 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1qh1 h ASN 127 CO 0.05 1.06 0.30 0.78 -1.65 0.00 0.00 177.43 177.96 1qh1 h ASN 128 N 0.92 1.01 -0.34 5.81 4.21 -1.76 -1.88 115.58 123.55 1qh1 h ASN 128 Ca 0.16 -0.15 -0.05 0.00 1.21 0.00 0.00 56.30 57.47 1qh1 h ASN 128 Cb 0.57 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1qh1 h ASN 128 CO 0.03 0.90 0.04 -0.03 -1.29 0.00 0.00 177.43 177.08 1qh1 h MET 129 N 1.08 0.58 0.03 0.81 4.05 -0.77 0.33 114.93 121.04 1qh1 h MET 129 Ca 0.25 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1qh1 h MET 129 Cb 0.20 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1qh1 h MET 129 CO -0.02 0.68 -0.01 -0.91 0.23 0.00 0.00 176.91 176.87 1qh1 h ASN 130 N 0.41 -0.03 -0.08 1.39 2.35 -1.03 -0.65 115.58 117.93 1qh1 h ASN 130 Ca 0.10 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1qh1 h ASN 130 Cb 0.39 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1qh1 h ASN 130 CO 0.01 0.01 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.28 1qh1 h LEU 131 N -0.07 0.68 -0.17 1.61 3.38 -1.36 -2.28 115.31 117.11 1qh1 h LEU 131 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1qh1 h LEU 131 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1qh1 h LEU 131 CO 0.01 1.03 0.07 1.23 0.09 0.00 0.00 178.44 180.87 1qh1 h GLY 132 N 1.00 0.26 1.02 0.83 0.00 -0.07 -0.10 103.07 106.01 1qh1 h GLY 132 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1qh1 h GLY 132 CO 0.09 0.13 0.44 1.41 0.00 0.00 0.00 176.54 178.61 1qh1 h LEU 133 N 0.13 1.04 -0.22 3.11 3.38 -1.11 0.18 115.31 121.81 1qh1 h LEU 133 Ca 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1qh1 h LEU 133 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1qh1 h LEU 133 CO -0.01 0.85 0.13 -0.61 0.09 0.00 0.00 178.44 178.89 1qh1 h GLN 134 N 1.15 0.30 -0.12 1.13 4.15 -1.23 -1.04 115.11 119.45 1qh1 h GLN 134 Ca 0.29 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.46 1qh1 h GLN 134 Cb 0.05 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.68 1qh1 h GLN 134 CO -0.04 0.24 -0.79 -0.91 -1.93 0.00 0.00 178.83 175.40 1qh1 h ASN 135 N 0.27 0.82 -0.57 -0.69 2.35 -0.93 -2.24 115.58 114.59 1qh1 h ASN 135 Ca 0.08 -0.55 -0.07 0.00 -0.55 0.00 0.00 56.30 55.21 1qh1 h ASN 135 Cb 0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1qh1 h ASN 135 CO -0.01 1.34 0.07 0.00 -1.65 0.00 0.00 177.43 177.17 1qh1 h ALA 136 N 0.65 0.76 -0.52 -0.83 0.00 -0.93 -1.17 119.26 117.21 1qh1 h ALA 136 Ca -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1qh1 h ALA 136 Cb 1.41 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1qh1 h ALA 136 CO 0.16 0.53 0.30 1.03 0.00 0.00 0.00 179.25 181.26 1qh1 h SER 137 N 0.85 0.47 -0.41 0.00 0.87 -1.11 -1.16 113.55 113.06 1qh1 h SER 137 Ca 0.17 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1qh1 h SER 137 Cb 0.45 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1qh1 h SER 137 CO 0.02 0.33 0.19 0.00 -0.53 0.00 0.00 176.83 176.83 1qh1 h ALA 138 N 1.25 0.53 -0.01 6.23 0.00 -1.07 -1.35 119.26 124.84 1qh1 h ALA 138 Ca 0.22 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1qh1 h ALA 138 Cb 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1qh1 h ALA 138 CO -0.11 0.09 -0.94 -0.07 0.00 0.00 0.00 179.25 178.22 1qh1 h LEU 139 N 0.52 0.84 -0.17 0.00 4.07 -1.18 -3.39 115.31 116.00 1qh1 h LEU 139 Ca 0.14 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.36 1qh1 h LEU 139 Cb 0.13 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1qh1 h LEU 139 CO -0.02 1.47 -0.37 -1.22 -1.08 0.00 0.00 178.44 177.21 1qh1 n TYR 140 N -3.94 0.00 -4.20 1.13 4.01 -0.45 -5.04 117.16 108.67 1qh1 n TYR 140 Ca -0.11 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.24 1qh1 n TYR 140 Cb 0.83 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.82 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 -1.00 -0.59 -2.09 -0.72 5.02 -0.51 -4.94 118.16 113.34 1qh1 n LYS 141 Ca 0.02 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1qh1 n LYS 141 Cb 0.15 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 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 -7.44 3.40 0.12 1.97 0.04 -1.26 -4.96 135.00 126.86 1qh1 s PRO 142 Ca 0.25 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.59 1qh1 s PRO 142 Cb -0.14 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1qh1 s PRO 142 CO 0.99 -0.74 1.07 0.93 0.04 0.00 0.00 177.00 179.29 1qh1 h GLU 143 N 0.49 0.00 -4.06 4.56 5.08 -1.56 -3.46 114.58 115.63 1qh1 h GLU 143 Ca -0.47 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.45 1qh1 h GLU 143 Cb 1.22 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 1qh1 h GLU 143 CO 0.58 0.53 -0.78 0.42 -1.00 0.00 0.00 179.01 178.76 1qh1 s ILE 144 N -2.83 0.66 -0.32 3.13 1.01 -1.04 -1.98 121.20 119.82 1qh1 s ILE 144 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1qh1 s ILE 144 Cb 0.09 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.89 1qh1 s ILE 144 CO 0.80 0.27 0.10 -0.63 0.00 0.00 0.00 174.94 175.48 1qh1 s ILE 145 N 1.19 3.93 -0.37 2.92 1.01 -0.29 -0.76 121.20 128.83 1qh1 s ILE 145 Ca -0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1qh1 s ILE 145 Cb -0.14 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.22 1qh1 s ILE 145 CO -0.02 -0.07 0.21 0.00 0.00 0.00 0.00 174.94 175.07 1qh1 s ALA 146 N 1.46 3.29 -0.20 9.38 0.00 -0.80 -3.49 121.76 131.39 1qh1 s ALA 146 Ca 0.01 -1.70 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 1qh1 s ALA 146 Cb -0.18 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1qh1 s ALA 146 CO 0.03 -1.37 0.18 0.08 0.00 0.00 0.00 175.76 174.68 1qh1 s VAL 147 N 1.56 5.37 0.28 0.00 1.01 -0.43 -1.00 120.40 127.20 1qh1 s VAL 147 Ca 0.02 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1qh1 s VAL 147 Cb -0.19 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1qh1 s VAL 147 CO 0.07 0.41 0.06 -1.54 0.00 0.00 0.00 175.10 174.10 1qh1 n SER 148 N 3.65 1.81 -4.27 3.32 3.41 -0.33 -0.98 113.62 120.23 1qh1 n SER 148 Ca -0.15 -2.38 -0.15 0.00 -0.26 0.00 0.00 58.87 55.93 1qh1 n SER 148 Cb 0.52 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.37 1.21 0.36 6.66 -4.23 -1.25 -0.53 115.64 115.50 1qh1 s THR 149 Ca 0.08 -2.07 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1qh1 s THR 149 Cb 0.00 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1qh1 s THR 149 CO 0.06 -0.66 0.34 0.42 -0.54 0.00 0.00 174.62 174.25 1qh1 s THR 150 N -3.30 3.30 0.31 3.99 -4.23 -0.63 -4.50 115.64 110.57 1qh1 s THR 150 Ca 0.19 -1.31 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 1qh1 s THR 150 Cb 0.03 -3.14 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1qh1 s THR 150 CO 0.03 -0.11 1.80 0.00 -0.54 0.00 0.00 174.62 175.79 1qh1 h MET 152 N 0.00 0.28 -0.80 0.00 1.85 -1.95 0.10 114.93 114.40 1qh1 h MET 152 Ca -0.00 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.05 1qh1 h MET 152 Cb 0.74 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.67 1qh1 h MET 152 CO 0.05 0.18 0.42 0.00 -0.40 0.00 0.00 176.91 177.16 1qh1 h ALA 153 N 1.11 1.23 -0.15 0.39 0.00 -1.66 -1.79 119.26 118.39 1qh1 h ALA 153 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1qh1 h ALA 153 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1qh1 h ALA 153 CO -0.05 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 180.72 1qh1 h GLU 154 N 1.12 0.28 -0.55 0.00 4.39 -1.03 -2.63 114.58 116.16 1qh1 h GLU 154 Ca 0.28 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1qh1 h GLU 154 Cb 0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1qh1 h GLU 154 CO -0.04 0.55 0.14 0.28 -1.16 0.00 0.00 179.01 178.77 1qh1 h VAL 155 N -0.01 1.25 0.00 3.13 2.07 -0.70 -2.76 116.25 119.22 1qh1 h VAL 155 Ca 0.04 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1qh1 h VAL 155 Cb 0.43 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1qh1 h VAL 155 CO 0.01 0.32 0.00 2.30 0.02 0.00 0.00 177.57 180.22 1qh1 n ILE 156 N -4.40 0.62 -1.19 4.57 -5.35 -0.70 -4.93 119.36 107.99 1qh1 n ILE 156 Ca 0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1qh1 n ILE 156 Cb 0.23 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 1qh1 n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qh1 n GLY 157 N 0.79 0.96 3.69 3.28 0.00 -1.03 -5.02 105.19 107.86 1qh1 n GLY 157 Ca 0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1qh1 n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qh1 s ASP 158 N -2.62 6.45 -0.98 1.61 1.11 -1.02 -4.90 116.67 116.31 1qh1 s ASP 158 Ca 0.00 2.72 -0.19 0.00 0.18 0.00 0.00 52.55 55.26 1qh1 s ASP 158 Cb 0.00 -2.57 0.12 0.00 1.07 0.00 0.00 42.92 41.54 1qh1 s ASP 158 CO 0.00 -0.99 1.24 -0.62 1.18 0.00 0.00 175.17 175.98 1qh1 s ASP 159 N 2.72 6.65 0.14 0.27 -1.08 -1.26 -4.91 116.67 119.20 1qh1 s ASP 159 Ca 0.80 -2.02 -0.29 0.00 -0.52 0.00 0.00 52.55 50.53 1qh1 s ASP 159 Cb -0.45 -2.44 -0.03 0.00 -1.46 0.00 0.00 42.92 38.53 1qh1 s ASP 159 CO 0.36 -1.13 1.57 0.25 0.52 0.00 0.00 175.17 176.74 1qh1 h LEU 160 N 10.92 -1.50 -0.49 -1.34 5.85 -1.98 -0.58 115.31 126.19 1qh1 h LEU 160 Ca 0.19 0.22 0.10 0.00 0.84 0.00 0.00 57.88 59.22 1qh1 h LEU 160 Cb 1.00 0.64 -0.09 0.00 0.37 0.00 0.00 40.66 42.58 1qh1 h LEU 160 CO 1.20 -0.39 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.18 1qh1 h GLN 161 N -0.38 0.00 -0.51 1.25 4.15 -2.00 -1.84 115.11 115.78 1qh1 h GLN 161 Ca 0.11 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1qh1 h GLN 161 Cb 0.60 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1qh1 h GLN 161 CO -0.54 0.00 0.23 0.00 -1.93 0.00 0.00 178.83 176.59 1qh1 h ALA 162 N 1.49 0.67 -0.51 3.38 0.00 -1.74 -1.94 119.26 120.60 1qh1 h ALA 162 Ca 0.23 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1qh1 h ALA 162 Cb 0.36 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1qh1 h ALA 162 CO -0.50 0.25 0.18 0.74 0.00 0.00 0.00 179.25 179.92 1qh1 h PHE 163 N 0.69 0.31 -0.25 0.00 -1.00 -0.92 -0.66 116.94 115.12 1qh1 h PHE 163 Ca 0.17 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.87 1qh1 h PHE 163 Cb 0.15 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1qh1 h PHE 163 CO -0.00 0.10 -0.32 0.82 -1.61 0.00 0.00 178.31 177.30 1qh1 h ILE 164 N 0.35 1.28 -0.76 -0.55 2.04 -1.30 -1.19 117.51 117.38 1qh1 h ILE 164 Ca 0.25 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1qh1 h ILE 164 Cb 0.27 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1qh1 h ILE 164 CO -0.25 0.44 0.32 0.00 0.00 0.00 0.00 178.15 178.66 1qh1 h ALA 165 N 1.22 0.99 -0.61 1.87 0.00 -0.94 -1.82 119.26 119.97 1qh1 h ALA 165 Ca 0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1qh1 h ALA 165 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qh1 h ALA 165 CO 0.06 0.59 0.10 -2.95 0.00 0.00 0.00 179.25 177.05 1qh1 h ASN 166 N 1.09 0.97 -0.99 0.00 7.08 -0.90 -0.30 115.58 122.53 1qh1 h ASN 166 Ca 0.26 -0.26 0.01 0.00 -3.08 0.00 0.00 56.30 53.23 1qh1 h ASN 166 Cb 0.18 -0.26 -0.05 0.00 -2.08 0.00 0.00 38.32 36.12 1qh1 h ASN 166 CO -0.02 0.98 0.66 0.00 -2.08 0.00 0.00 177.43 176.97 1qh1 h ALA 167 N 1.02 1.27 0.08 4.14 0.00 -0.88 0.05 119.26 124.94 1qh1 h ALA 167 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qh1 h ALA 167 Cb 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qh1 h ALA 167 CO 0.01 0.64 -0.04 0.87 0.00 0.00 0.00 179.25 180.73 1qh1 h LYS 168 N 1.34 -0.11 -0.87 0.00 1.57 -0.94 0.74 116.57 118.30 1qh1 h LYS 168 Ca 0.37 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1qh1 h LYS 168 Cb -0.14 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1qh1 h LYS 168 CO -0.08 0.19 0.57 0.87 -0.57 0.00 0.00 179.45 180.43 1qh1 h LYS 169 N -0.41 1.12 -0.11 3.15 1.57 -0.85 -2.63 116.57 118.41 1qh1 h LYS 169 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1qh1 h LYS 169 Cb 0.35 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qh1 h LYS 169 CO 0.02 0.74 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 1qh1 n ASP 170 N -4.50 1.23 0.00 0.86 8.00 -0.02 -4.95 116.55 117.17 1qh1 n ASP 170 Ca 0.10 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1qh1 n ASP 170 Cb 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.06 0.47 0.08 0.44 0.00 -0.99 -4.94 105.19 101.30 1qh1 n GLY 171 Ca 0.16 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -3.68 1.61 0.04 -1.10 -3.43 116.94 110.38 1qh1 h PHE 172 Ca 0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1qh1 h PHE 172 Cb 0.00 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 37.83 1qh1 h PHE 172 CO 0.00 0.89 -0.82 0.54 -0.60 0.00 0.00 178.31 178.32 1qh1 s VAL 173 N -2.77 1.21 0.70 -0.55 0.11 -1.09 -3.37 120.40 114.65 1qh1 s VAL 173 Ca 0.02 -0.56 -0.14 0.00 -2.93 0.00 0.00 61.98 58.36 1qh1 s VAL 173 Cb 0.09 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1qh1 s VAL 173 CO 0.80 0.36 1.12 -0.62 -3.33 0.00 0.00 175.10 173.44 1qh1 s ASP 174 N 0.32 4.77 0.46 3.54 2.15 -1.26 -4.58 116.67 122.07 1qh1 s ASP 174 Ca -0.08 2.01 0.31 0.00 0.43 0.00 0.00 52.55 55.22 1qh1 s ASP 174 Cb -0.13 -2.55 1.41 0.00 -0.30 0.00 0.00 42.92 41.35 1qh1 s ASP 174 CO 0.03 -1.86 1.93 0.77 -0.17 0.00 0.00 175.17 175.87 1qh1 h SER 175 N -0.34 0.00 1.06 -0.34 4.64 -1.99 -1.39 113.55 115.19 1qh1 h SER 175 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1qh1 h SER 175 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1qh1 h SER 175 CO 0.52 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.94 1qh1 n SER 176 N -2.74 0.35 -4.59 4.97 3.41 -1.26 -4.78 113.62 108.97 1qh1 n SER 176 Ca 0.00 0.54 -0.34 0.00 -0.26 0.00 0.00 58.87 58.81 1qh1 n SER 176 Cb 0.21 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1qh1 n SER 176 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1qh1 s ILE 177 N -3.07 4.44 0.10 -1.33 1.01 -0.53 -4.94 121.20 116.88 1qh1 s ILE 177 Ca 0.11 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1qh1 s ILE 177 Cb 0.14 -2.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 1qh1 s ILE 177 CO 0.50 0.49 0.69 0.00 0.00 0.00 0.00 174.94 176.62 1qh1 s ALA 178 N 0.24 3.48 -0.53 9.38 0.00 -0.84 -4.91 121.76 128.58 1qh1 s ALA 178 Ca 0.01 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1qh1 s ALA 178 Cb -0.13 -2.84 0.24 0.00 0.00 0.00 0.00 23.12 20.40 1qh1 s ALA 178 CO 0.01 0.27 0.63 0.28 0.00 0.00 0.00 175.76 176.96 1qh1 n VAL 179 N 1.99 1.00 -1.86 0.00 0.31 -1.26 -1.13 118.33 117.37 1qh1 n VAL 179 Ca -0.07 -4.67 -0.35 0.00 -0.01 0.00 0.00 64.34 59.24 1qh1 n VAL 179 Cb 0.50 -2.03 0.05 0.00 -0.91 0.00 0.00 33.84 31.44 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 -1.84 2.77 0.06 5.55 0.04 -1.23 -4.84 135.00 135.51 1qh1 s PRO 180 Ca 0.37 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1qh1 s PRO 180 Cb 0.15 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.78 1qh1 s PRO 180 CO -0.06 -1.36 0.16 -3.38 0.04 0.00 0.00 177.00 172.40 1qh1 s HIS 181 N -1.70 0.15 -0.08 0.56 -3.43 -1.26 -1.31 115.29 108.21 1qh1 s HIS 181 Ca 0.77 -0.48 -0.11 0.00 -0.80 0.00 0.00 55.06 54.43 1qh1 s HIS 181 Cb -0.30 -0.09 0.03 0.00 -1.43 0.00 0.00 32.58 30.79 1qh1 s HIS 181 CO 0.36 -0.46 0.29 0.00 -2.00 0.00 0.00 174.74 172.94 1qh1 s ALA 182 N -3.14 -0.73 -0.06 -1.38 0.00 -0.16 -4.32 121.76 111.98 1qh1 s ALA 182 Ca -0.01 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1qh1 s ALA 182 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1qh1 s ALA 182 CO -0.07 -0.18 1.08 -1.01 0.00 0.00 0.00 175.76 175.58 1qh1 s HIS 183 N -0.30 3.43 -0.51 0.00 3.76 -1.26 -3.81 115.29 116.61 1qh1 s HIS 183 Ca -0.04 1.47 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1qh1 s HIS 183 Cb -0.03 -3.27 0.22 0.00 1.11 0.00 0.00 32.58 30.61 1qh1 s HIS 183 CO 0.01 -0.60 0.55 0.25 -0.85 0.00 0.00 174.74 174.10 1qh1 n THR 184 N 4.41 0.36 -2.29 1.30 -2.24 -1.26 -4.94 114.28 109.62 1qh1 n THR 184 Ca 0.09 -4.35 -0.42 0.00 -2.27 0.00 0.00 64.05 57.10 1qh1 n THR 184 Cb 0.48 -1.97 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 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 -1.34 4.26 0.30 -0.78 0.04 -1.26 -4.10 135.00 132.12 1qh1 s PRO 185 Ca 0.35 1.85 0.25 0.00 0.04 0.00 0.00 61.00 63.49 1qh1 s PRO 185 Cb 0.11 -3.70 1.02 0.00 0.04 0.00 0.00 34.50 31.97 1qh1 s PRO 185 CO -0.11 -0.64 1.76 0.66 0.04 0.00 0.00 177.00 178.71 1qh1 h SER 186 N 8.17 0.00 -0.16 6.66 4.64 -1.90 -2.15 113.55 128.81 1qh1 h SER 186 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1qh1 h SER 186 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1qh1 h SER 186 CO 0.93 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 179.11 1qh1 n PHE 187 N -2.38 0.23 -4.94 4.77 1.16 -1.26 -4.57 117.46 110.47 1qh1 n PHE 187 Ca 0.02 -0.11 -0.28 0.00 -1.87 0.00 0.00 57.45 55.21 1qh1 n PHE 187 Cb 0.26 -0.01 -0.17 0.00 -1.61 0.00 0.00 39.48 37.95 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 -1.76 1.64 0.00 1.97 1.01 -0.81 -5.07 121.20 118.17 1qh1 s ILE 188 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1qh1 s ILE 188 Cb 0.06 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1qh1 s ILE 188 CO 0.07 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1qh1 n GLY 189 N 3.51 2.67 0.00 6.18 0.00 -1.26 -4.68 105.19 111.60 1qh1 n GLY 189 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.69 0.00 0.13 1.61 3.41 -1.26 -4.87 113.62 114.33 1qh1 n SER 190 Ca 0.00 -0.91 0.15 0.00 -0.26 0.00 0.00 58.87 57.85 1qh1 n SER 190 Cb 0.00 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.91 0.00 0.00 7.33 2.07 -1.35 -1.09 115.15 123.02 1qh1 h HIS 191 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 1qh1 h HIS 191 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1qh1 h HIS 191 CO 0.00 0.00 -0.47 -0.39 -3.07 0.00 0.00 177.93 174.00 1qh1 h VAL 192 N 0.00 1.24 -0.14 6.12 -1.51 -1.88 -2.62 116.25 117.45 1qh1 h VAL 192 Ca 0.13 -1.67 -0.16 0.00 -1.23 0.00 0.00 66.70 63.77 1qh1 h VAL 192 Cb 0.53 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1qh1 h VAL 192 CO -0.00 0.46 -0.57 0.74 -1.23 0.00 0.00 177.57 176.97 1qh1 h THR 193 N 0.00 1.34 -0.72 7.19 2.02 -1.52 -2.85 112.91 118.37 1qh1 h THR 193 Ca -0.00 -1.86 -0.04 0.00 0.77 0.00 0.00 66.41 65.28 1qh1 h THR 193 Cb 0.89 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1qh1 h THR 193 CO 0.06 0.57 0.31 1.23 0.37 0.00 0.00 175.52 178.06 1qh1 h GLY 194 N 1.19 1.13 0.94 2.16 0.00 -1.24 0.93 103.07 108.19 1qh1 h GLY 194 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1qh1 h GLY 194 CO 0.10 0.56 -0.17 -0.25 0.00 0.00 0.00 176.54 176.78 1qh1 h TRP 195 N 1.02 -0.45 -0.77 5.60 7.01 -1.32 -0.20 115.95 126.83 1qh1 h TRP 195 Ca 0.24 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.25 1qh1 h TRP 195 Cb 0.17 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 1qh1 h TRP 195 CO 0.01 -0.27 0.51 0.22 -2.79 0.00 0.00 178.44 176.12 1qh1 h ASP 196 N -0.44 0.86 -0.63 2.65 3.58 -1.32 -0.32 116.42 120.79 1qh1 h ASP 196 Ca -0.03 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 1qh1 h ASP 196 Cb 0.36 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1qh1 h ASP 196 CO 0.04 0.62 0.26 0.78 -2.88 0.00 0.00 179.24 178.05 1qh1 h ASN 197 N 1.02 0.87 -0.50 2.28 2.35 -0.72 -1.66 115.58 119.22 1qh1 h ASN 197 Ca 0.29 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1qh1 h ASN 197 Cb -0.08 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 1qh1 h ASN 197 CO -0.08 0.80 0.09 -0.03 -1.65 0.00 0.00 177.43 176.56 1qh1 h MET 198 N 0.88 0.88 -0.44 0.81 4.05 -0.63 -2.57 114.93 117.90 1qh1 h MET 198 Ca 0.21 -0.21 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1qh1 h MET 198 Cb 0.20 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1qh1 h MET 198 CO -0.02 0.82 0.27 0.35 0.23 0.00 0.00 176.91 178.56 1qh1 h PHE 199 N 0.83 0.58 -0.98 1.39 3.57 -0.68 -1.23 116.94 120.43 1qh1 h PHE 199 Ca 0.17 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1qh1 h PHE 199 Cb 0.37 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1qh1 h PHE 199 CO 0.02 0.41 0.64 1.49 -2.23 0.00 0.00 178.31 178.63 1qh1 h GLU 200 N 0.59 1.14 -0.71 1.11 4.81 -1.12 -0.26 114.58 120.13 1qh1 h GLU 200 Ca 0.16 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1qh1 h GLU 200 Cb -0.01 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 1qh1 h GLU 200 CO -0.03 0.75 0.33 0.78 -0.73 0.00 0.00 179.01 180.11 1qh1 h GLY 201 N 1.17 1.11 0.97 1.92 0.00 -0.87 -0.13 103.07 107.24 1qh1 h GLY 201 Ca 0.41 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1qh1 h GLY 201 CO -0.15 0.54 0.22 0.74 0.00 0.00 0.00 176.54 177.89 1qh1 h PHE 202 N 1.00 0.69 -0.97 5.60 -1.00 -0.69 -1.70 116.94 119.88 1qh1 h PHE 202 Ca 0.24 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1qh1 h PHE 202 Cb 0.14 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.45 1qh1 h PHE 202 CO 0.01 0.55 0.62 0.00 -1.61 0.00 0.00 178.31 177.88 1qh1 h ALA 203 N 1.06 1.27 -0.03 2.45 0.00 -0.61 -1.32 119.26 122.08 1qh1 h ALA 203 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1qh1 h ALA 203 Cb 0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1qh1 h ALA 203 CO -0.02 0.66 -0.01 0.87 0.00 0.00 0.00 179.25 180.74 1qh1 h LYS 204 N 1.32 0.07 -0.89 0.00 1.57 -0.64 -0.85 116.57 117.16 1qh1 h LYS 204 Ca 0.35 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 1qh1 h LYS 204 Cb -0.12 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 1qh1 h LYS 204 CO -0.07 0.45 0.56 1.15 -0.57 0.00 0.00 179.45 180.97 1qh1 h THR 205 N -0.32 1.07 0.00 -0.16 2.02 -1.24 -2.11 112.91 112.18 1qh1 h THR 205 Ca 0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1qh1 h THR 205 Cb 0.43 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1qh1 h THR 205 CO 0.00 0.19 -1.15 0.49 0.37 0.00 0.00 175.52 175.42 1qh1 n PHE 206 N -4.58 0.11 -0.19 3.16 3.72 -0.51 -4.63 117.46 114.54 1qh1 n PHE 206 Ca 0.13 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1qh1 n PHE 206 Cb 0.16 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.82 0.00 -0.28 4.37 -2.24 -0.33 -4.37 114.28 109.61 1qh1 n THR 207 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1qh1 n THR 207 Cb 0.42 1.19 0.21 0.00 -2.10 0.00 0.00 70.33 70.04 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 1.42 -0.36 6.98 0.00 -1.41 -1.82 119.26 124.07 1qh1 h ALA 208 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qh1 h ALA 208 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1qh1 h ALA 208 CO 0.00 0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 1qh1 n ASP 209 N -4.42 2.09 -4.77 0.00 5.75 -1.26 -4.92 116.55 109.02 1qh1 n ASP 209 Ca 0.10 -2.05 -0.38 0.00 -0.01 0.00 0.00 54.79 52.45 1qh1 n ASP 209 Cb 0.05 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 1qh1 n ASP 209 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1qh1 s TYR 210 N -1.55 3.65 -0.79 2.11 5.04 -0.69 -5.02 117.35 120.10 1qh1 s TYR 210 Ca 0.25 1.05 -0.17 0.00 -2.44 0.00 0.00 57.07 55.77 1qh1 s TYR 210 Cb 0.13 -2.51 0.16 0.00 0.35 0.00 0.00 41.96 40.10 1qh1 s TYR 210 CO 0.16 0.38 0.84 -1.14 -1.34 0.00 0.00 175.55 174.44 1qh1 s GLN 211 N -0.19 3.44 0.53 4.97 -0.44 -1.26 -5.03 119.66 121.68 1qh1 s GLN 211 Ca 0.27 -1.97 0.00 0.00 -2.50 0.00 0.00 55.36 51.17 1qh1 s GLN 211 Cb -0.17 -4.52 0.02 0.00 -1.64 0.00 0.00 33.01 26.70 1qh1 s GLN 211 CO 0.14 -1.48 0.76 0.20 0.50 0.00 0.00 175.29 175.41 1qh1 s GLY 212 N 2.98 1.74 -0.27 2.59 0.00 -1.26 -5.04 107.32 108.06 1qh1 s GLY 212 Ca 0.20 -1.22 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 1qh1 s GLY 212 CO -0.05 -0.96 0.17 1.20 0.00 0.00 0.00 173.10 173.46 1qh1 s GLN 213 N -4.74 0.21 0.11 2.90 1.11 -1.25 -4.97 119.66 113.03 1qh1 s GLN 213 Ca 0.55 -0.33 -0.34 0.00 0.01 0.00 0.00 55.36 55.25 1qh1 s GLN 213 Cb -0.10 -1.12 -0.14 0.00 -1.01 0.00 0.00 33.01 30.64 1qh1 s GLN 213 CO 0.39 -0.95 1.62 -2.30 0.01 0.00 0.00 175.29 174.06 1qh1 n PRO 214 N 5.27 2.11 -0.60 2.91 -0.02 -1.24 -1.10 135.00 142.32 1qh1 n PRO 214 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1qh1 n PRO 214 Cb 0.44 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.56 0.77 0.34 -1.23 0.00 -0.87 -4.85 105.19 102.90 1qh1 n GLY 215 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 3.26 0.90 -5.27 1.61 3.64 -0.71 -3.35 116.57 116.64 1qh1 h LYS 216 Ca 0.00 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 1qh1 h LYS 216 Cb 0.00 -0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 31.43 1qh1 h LYS 216 CO 0.00 0.61 -0.61 -0.51 -2.27 0.00 0.00 179.45 176.67 1qh1 s LEU 217 N -9.76 3.56 0.00 5.20 1.43 -0.40 -5.00 118.68 113.71 1qh1 s LEU 217 Ca -0.10 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1qh1 s LEU 217 Cb 0.18 -1.88 -0.26 0.00 0.03 0.00 0.00 46.19 44.25 1qh1 s LEU 217 CO 0.77 0.16 3.56 -0.81 0.23 0.00 0.00 176.35 180.27 1qh1 n PRO 218 N 3.60 1.96 -4.46 1.29 -0.04 -1.26 -3.23 135.00 132.86 1qh1 n PRO 218 Ca -0.17 -0.96 -0.22 0.00 -0.04 0.00 0.00 63.50 62.11 1qh1 n PRO 218 Cb 0.52 -1.96 -0.11 0.00 -0.04 0.00 0.00 33.50 31.92 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 0.97 1.65 -0.07 0.54 -2.85 -1.26 -4.28 119.74 114.43 1qh1 s LYS 219 Ca 0.64 -1.89 0.05 0.00 -1.00 0.00 0.00 55.97 53.78 1qh1 s LYS 219 Cb 0.31 -1.06 -0.01 0.00 -2.06 0.00 0.00 37.83 35.00 1qh1 s LYS 219 CO 0.00 -0.09 -0.23 -0.51 0.10 0.00 0.00 175.35 174.62 1qh1 s LEU 220 N -3.50 2.16 0.27 2.77 1.43 -0.71 -1.12 118.68 119.99 1qh1 s LEU 220 Ca 0.34 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1qh1 s LEU 220 Cb 0.07 -1.41 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 1qh1 s LEU 220 CO 0.14 0.23 0.63 0.20 0.23 0.00 0.00 176.35 177.78 1qh1 s ASN 221 N -0.08 6.67 -0.04 2.29 0.01 -0.55 -2.25 114.94 120.99 1qh1 s ASN 221 Ca -0.06 1.06 0.05 0.00 -0.71 0.00 0.00 52.86 53.20 1qh1 s ASN 221 Cb -0.14 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 1qh1 s ASN 221 CO 0.04 -0.14 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.54 1qh1 s LEU 222 N -2.95 1.97 -0.16 0.60 1.43 -0.14 -0.78 118.68 118.64 1qh1 s LEU 222 Ca 0.50 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1qh1 s LEU 222 Cb -0.11 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1qh1 s LEU 222 CO 0.20 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 176.09 1qh1 s VAL 223 N -0.10 1.96 0.07 -1.59 1.01 -0.42 -1.00 120.40 120.33 1qh1 s VAL 223 Ca -0.02 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1qh1 s VAL 223 Cb -0.11 -1.77 -0.22 0.00 0.00 0.00 0.00 36.38 34.27 1qh1 s VAL 223 CO 0.02 0.53 1.08 0.71 0.00 0.00 0.00 175.10 177.43 1qh1 h THR 224 N 5.93 1.43 -0.44 3.92 1.35 -1.85 -0.02 112.91 123.23 1qh1 h THR 224 Ca -0.41 -3.17 0.00 0.00 -0.55 0.00 0.00 66.41 62.27 1qh1 h THR 224 Cb 1.15 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 1qh1 h THR 224 CO 0.60 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.31 1qh1 n GLY 225 N 1.43 -1.41 3.60 5.82 0.00 -1.26 -4.09 105.19 109.29 1qh1 n GLY 225 Ca -0.06 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 2.18 -0.10 1.61 2.19 -1.26 -4.96 117.98 117.64 1qh1 s PHE 226 Ca 0.00 0.65 -0.06 0.00 0.33 0.00 0.00 56.93 57.85 1qh1 s PHE 226 Cb 0.00 -4.19 0.04 0.00 -1.31 0.00 0.00 43.02 37.56 1qh1 s PHE 226 CO 0.00 -2.40 0.25 -2.00 1.83 0.00 0.00 175.22 172.90 1qh1 s GLU 227 N 5.10 0.24 -0.09 10.12 2.56 -1.26 -5.06 118.70 130.31 1qh1 s GLU 227 Ca 0.68 0.46 0.13 0.00 0.00 0.00 0.00 54.97 56.24 1qh1 s GLU 227 Cb -0.18 -0.03 0.20 0.00 2.00 0.00 0.00 34.13 36.12 1qh1 s GLU 227 CO 0.32 -0.12 1.09 0.25 -0.56 0.00 0.00 175.26 176.25 1qh1 n THR 228 N 3.76 1.55 -3.65 -1.70 -2.24 -1.26 -4.94 114.28 105.80 1qh1 n THR 228 Ca -0.21 -1.80 -0.38 0.00 -2.27 0.00 0.00 64.05 59.39 1qh1 n THR 228 Cb 0.55 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.21 3.18 0.40 4.78 2.02 -1.26 -4.74 117.35 119.51 1qh1 s TYR 229 Ca 0.22 -0.49 0.12 0.00 -0.37 0.00 0.00 57.07 56.54 1qh1 s TYR 229 Cb 0.19 -2.35 0.84 0.00 -0.40 0.00 0.00 41.96 40.24 1qh1 s TYR 229 CO 0.02 -0.42 1.93 -0.07 -1.57 0.00 0.00 175.55 175.43 1qh1 h LEU 230 N 8.35 0.12 -2.07 -1.29 3.38 -0.98 -2.22 115.31 120.59 1qh1 h LEU 230 Ca -0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1qh1 h LEU 230 Cb 1.15 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1qh1 h LEU 230 CO 0.61 0.32 -0.08 1.23 0.09 0.00 0.00 178.44 180.60 1qh1 h GLY 231 N 0.73 0.00 1.26 0.83 0.00 -1.35 -2.68 103.07 101.87 1qh1 h GLY 231 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.16 1qh1 h GLY 231 CO 0.03 0.00 -0.65 3.43 0.00 0.00 0.00 176.54 179.35 1qh1 h ASN 232 N 0.00 0.86 -0.65 0.19 2.35 -1.54 -0.20 115.58 116.60 1qh1 h ASN 232 Ca -0.00 -0.51 -0.05 0.00 -0.55 0.00 0.00 56.30 55.19 1qh1 h ASN 232 Cb 0.20 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1qh1 h ASN 232 CO 0.01 1.29 0.19 -0.26 -1.65 0.00 0.00 177.43 177.01 1qh1 h PHE 233 N 0.55 1.05 -0.17 1.19 0.04 -1.60 -2.95 116.94 115.06 1qh1 h PHE 233 Ca -0.01 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.56 1qh1 h PHE 233 Cb 1.25 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 1qh1 h PHE 233 CO 0.07 0.86 -0.23 0.00 -0.60 0.00 0.00 178.31 178.41 1qh1 h ARG 234 N 0.94 0.45 -0.58 1.51 3.08 -1.41 -3.03 114.38 115.34 1qh1 h ARG 234 Ca 0.21 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1qh1 h ARG 234 Cb 0.31 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1qh1 h ARG 234 CO -0.00 0.85 0.21 -0.24 -1.07 0.00 0.00 179.97 179.72 1qh1 h VAL 235 N 0.09 1.21 -0.24 2.04 3.04 -1.03 -0.45 116.25 120.90 1qh1 h VAL 235 Ca 0.02 -0.69 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1qh1 h VAL 235 Cb 0.80 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1qh1 h VAL 235 CO 0.05 0.27 0.14 -0.07 -1.01 0.00 0.00 177.57 176.95 1qh1 h LEU 236 N 0.84 0.31 -0.81 3.16 3.38 -1.50 -0.46 115.31 120.22 1qh1 h LEU 236 Ca 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1qh1 h LEU 236 Cb 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1qh1 h LEU 236 CO -0.01 0.30 0.26 0.11 0.09 0.00 0.00 178.44 179.19 1qh1 h LYS 237 N 0.29 1.15 -0.48 1.13 1.57 -1.36 -1.66 116.57 117.20 1qh1 h LYS 237 Ca 0.09 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1qh1 h LYS 237 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1qh1 h LYS 237 CO -0.01 0.96 0.17 -0.09 -0.57 0.00 0.00 179.45 179.90 1qh1 h ARG 238 N 1.11 0.74 -0.55 3.15 1.12 -0.88 -1.32 114.38 117.75 1qh1 h ARG 238 Ca 0.25 -0.15 -0.09 0.00 -1.11 0.00 0.00 59.98 58.88 1qh1 h ARG 238 Cb 0.27 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 1qh1 h ARG 238 CO -0.01 0.68 0.01 0.52 -3.11 0.00 0.00 179.97 178.05 1qh1 h MET 239 N 0.64 0.96 -0.35 0.20 2.86 -0.95 -2.09 114.93 116.20 1qh1 h MET 239 Ca 0.16 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1qh1 h MET 239 Cb 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1qh1 h MET 239 CO -0.01 0.97 -0.08 0.52 1.06 0.00 0.00 176.91 179.37 1qh1 h MET 240 N 0.84 0.58 -0.65 1.72 2.86 -1.08 -1.18 114.93 118.02 1qh1 h MET 240 Ca 0.16 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1qh1 h MET 240 Cb 0.53 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1qh1 h MET 240 CO 0.03 0.66 0.07 1.49 1.06 0.00 0.00 176.91 180.22 1qh1 h GLU 241 N 0.54 1.10 -0.31 1.72 4.22 -1.00 -1.79 114.58 119.07 1qh1 h GLU 241 Ca 0.10 -0.32 -0.06 0.00 0.08 0.00 0.00 59.36 59.16 1qh1 h GLU 241 Cb 0.46 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1qh1 h GLU 241 CO 0.02 1.03 -0.07 1.96 -2.18 0.00 0.00 179.01 179.77 1qh1 h GLN 242 N 1.02 0.51 0.00 1.92 4.20 -0.93 -1.52 115.11 120.31 1qh1 h GLN 242 Ca 0.19 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1qh1 h GLN 242 Cb 0.49 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1qh1 h GLN 242 CO 0.02 0.59 -0.13 0.52 -0.67 0.00 0.00 178.83 179.16 1qh1 h MET 243 N 0.48 0.00 -3.51 1.46 2.86 -1.00 -3.42 114.93 111.79 1qh1 h MET 243 Ca 0.09 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.48 1qh1 h MET 243 Cb 0.43 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.15 1qh1 h MET 243 CO 0.02 0.13 -0.40 0.00 1.06 0.00 0.00 176.91 177.72 1qh1 n ALA 244 N -2.19 -0.71 -3.90 6.32 0.00 -0.57 -4.85 120.51 114.61 1qh1 n ALA 244 Ca -0.00 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1qh1 n ALA 244 Cb 0.35 -3.15 -0.14 0.00 0.00 0.00 0.00 19.45 16.50 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 -3.07 2.53 0.34 0.00 1.01 -0.92 -5.06 120.40 115.23 1qh1 s VAL 245 Ca 0.28 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.33 1qh1 s VAL 245 Cb -0.12 -2.55 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 1qh1 s VAL 245 CO 0.35 -0.18 0.66 -2.65 0.00 0.00 0.00 175.10 173.28 1qh1 n PRO 246 N 4.48 0.66 -3.57 2.72 -0.02 -1.26 -4.58 135.00 133.43 1qh1 n PRO 246 Ca -0.10 0.24 -0.14 0.00 -2.02 0.00 0.00 63.50 61.47 1qh1 n PRO 246 Cb 0.42 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.91 1.66 0.07 0.00 0.01 -0.96 -4.98 113.70 107.60 1qh1 s SER 248 Ca -0.06 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 1qh1 s SER 248 Cb -0.01 -0.31 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 1qh1 s SER 248 CO -0.01 0.14 0.69 -0.76 0.41 0.00 0.00 173.24 173.71 1qh1 s LEU 249 N -0.13 4.49 -0.56 2.44 1.02 -1.26 -0.97 118.68 123.72 1qh1 s LEU 249 Ca 0.01 1.39 -0.09 0.00 0.02 0.00 0.00 54.13 55.46 1qh1 s LEU 249 Cb -0.07 -3.11 0.14 0.00 0.02 0.00 0.00 46.19 43.17 1qh1 s LEU 249 CO 0.00 0.13 0.43 -0.76 0.02 0.00 0.00 176.35 176.18 1qh1 s LEU 250 N -0.55 5.79 0.00 1.79 1.43 -0.17 -4.56 118.68 122.41 1qh1 s LEU 250 Ca 0.34 -2.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.22 1qh1 s LEU 250 Cb -0.20 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1qh1 s LEU 250 CO 0.22 -0.62 0.00 -0.24 0.23 0.00 0.00 176.35 175.94 1qh1 n SER 251 N 4.49 -0.36 -3.54 2.29 2.88 -1.26 -4.64 113.62 113.48 1qh1 n SER 251 Ca -0.02 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.23 1qh1 n SER 251 Cb 0.41 -0.18 -0.14 0.00 -0.75 0.00 0.00 64.21 63.55 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 3.36 -0.02 -3.46 -1.08 -0.11 -4.74 116.67 110.63 1qh1 s ASP 252 Ca 0.00 -1.83 0.09 0.00 -0.52 0.00 0.00 52.55 50.29 1qh1 s ASP 252 Cb 0.00 -0.49 0.28 0.00 -1.46 0.00 0.00 42.92 41.25 1qh1 s ASP 252 CO 0.00 -0.37 1.19 -0.81 0.52 0.00 0.00 175.17 175.70 1qh1 n PRO 253 N 4.54 1.87 0.25 4.34 -0.04 -1.26 -3.80 135.00 140.90 1qh1 n PRO 253 Ca 0.03 -1.13 0.13 0.00 -0.04 0.00 0.00 63.50 62.49 1qh1 n PRO 253 Cb 0.39 -1.34 0.60 0.00 -0.04 0.00 0.00 33.50 33.11 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 1.75 0.00 0.29 3.54 4.64 -1.93 -1.12 113.55 120.72 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 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1qh1 h SER 254 CO 0.04 0.15 -1.61 -0.33 -0.87 0.00 0.00 176.83 174.20 1qh1 h GLU 255 N 0.00 0.40 0.00 4.77 4.39 -1.81 -3.27 114.58 119.06 1qh1 h GLU 255 Ca -0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1qh1 h GLU 255 Cb 0.56 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1qh1 h GLU 255 CO 0.02 1.31 0.00 -0.24 -1.16 0.00 0.00 179.01 178.94 1qh1 h VAL 256 N 0.11 0.00 -0.47 3.13 3.04 -1.39 -2.26 116.25 118.41 1qh1 h VAL 256 Ca -0.29 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1qh1 h VAL 256 Cb 2.10 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.76 1qh1 h VAL 256 CO 0.20 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.94 1qh1 n LEU 257 N -2.55 4.18 -2.69 3.16 4.77 -0.44 -4.39 117.00 119.04 1qh1 n LEU 257 Ca 0.03 -2.12 -0.04 0.00 -0.03 0.00 0.00 56.01 53.86 1qh1 n LEU 257 Cb 0.35 -0.57 0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1qh1 n LEU 257 CO 0.27 0.59 0.49 -0.67 -1.33 0.00 0.00 177.39 176.74 1qh1 n ASP 258 N 0.65 -1.18 -4.77 -1.43 2.03 -0.86 -4.94 116.55 106.05 1qh1 n ASP 258 Ca 0.20 -2.31 -0.38 0.00 0.52 0.00 0.00 54.79 52.83 1qh1 n ASP 258 Cb 0.84 0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 41.83 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 -0.39 3.64 0.53 5.18 -4.23 -1.18 -4.96 115.64 114.24 1qh1 s THR 259 Ca 0.16 1.38 -0.20 0.00 -1.18 0.00 0.00 61.69 61.85 1qh1 s THR 259 Cb 0.42 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.43 1qh1 s THR 259 CO -0.10 0.12 1.14 -2.16 -0.54 0.00 0.00 174.62 173.08 1qh1 s PRO 260 N -2.16 3.39 -0.89 3.99 0.04 -1.26 -4.98 135.00 133.13 1qh1 s PRO 260 Ca 0.54 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 1qh1 s PRO 260 Cb -0.25 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1qh1 s PRO 260 CO 0.32 -0.82 1.06 0.00 0.04 0.00 0.00 177.00 177.60 1qh1 s ALA 261 N -1.74 3.43 0.00 8.56 0.00 -1.26 -4.73 121.76 126.03 1qh1 s ALA 261 Ca 0.72 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.92 1qh1 s ALA 261 Cb -0.25 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1qh1 s ALA 261 CO 0.28 -2.87 0.68 -0.40 0.00 0.00 0.00 175.76 173.44 1qh1 n ASP 262 N 6.32 1.27 0.00 0.00 5.75 -1.26 -4.96 116.55 123.67 1qh1 n ASP 262 Ca 0.20 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 1qh1 n ASP 262 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.22 0.82 3.22 6.12 0.00 -1.26 -5.08 105.19 108.80 1qh1 n GLY 263 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 1.96 -0.09 1.61 3.76 -1.26 -5.12 115.29 114.15 1qh1 s HIS 264 Ca 0.00 -0.43 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 1qh1 s HIS 264 Cb 0.00 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 1qh1 s HIS 264 CO 0.00 -0.08 0.55 -0.47 -0.85 0.00 0.00 174.74 173.89 1qh1 s TYR 265 N -0.37 3.55 -0.34 1.40 5.04 -1.26 -4.89 117.35 120.47 1qh1 s TYR 265 Ca 0.05 1.01 0.04 0.00 -2.44 0.00 0.00 57.07 55.73 1qh1 s TYR 265 Cb -0.10 -2.62 0.10 0.00 0.35 0.00 0.00 41.96 39.69 1qh1 s TYR 265 CO 0.00 0.17 0.05 1.03 -1.34 0.00 0.00 175.55 175.46 1qh1 s ARG 266 N 0.58 1.46 0.37 4.97 0.52 -1.26 -4.98 118.95 120.61 1qh1 s ARG 266 Ca 0.30 -1.84 0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1qh1 s ARG 266 Cb -0.16 -3.16 0.70 0.00 0.52 0.00 0.00 34.95 32.85 1qh1 s ARG 266 CO 0.13 -0.93 1.98 1.98 0.02 0.00 0.00 175.30 178.48 1qh1 h MET 267 N 7.63 0.63 -6.66 3.54 1.85 -1.98 -3.42 114.93 116.53 1qh1 h MET 267 Ca -0.05 -0.07 -0.69 0.00 -0.61 0.00 0.00 59.70 58.28 1qh1 h MET 267 Cb 1.02 -0.13 -0.25 0.00 0.43 0.00 0.00 31.60 32.68 1qh1 h MET 267 CO 0.52 0.49 -0.85 0.71 -0.40 0.00 0.00 176.91 177.38 1qh1 s TYR 268 N -5.39 2.43 -0.28 1.39 2.02 -1.26 -4.91 117.35 111.35 1qh1 s TYR 268 Ca -0.09 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 1qh1 s TYR 268 Cb 0.17 -1.43 0.09 0.00 -0.40 0.00 0.00 41.96 40.39 1qh1 s TYR 268 CO 0.75 0.17 0.73 0.45 -1.57 0.00 0.00 175.55 176.09 1qh1 s SER 269 N -1.29 -0.87 0.92 2.29 0.15 -1.26 -4.99 113.70 108.65 1qh1 s SER 269 Ca 0.13 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1qh1 s SER 269 Cb -0.10 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1qh1 s SER 269 CO 0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1qh1 n GLY 270 N 4.11 2.32 0.00 9.45 0.00 -1.26 -2.94 105.19 116.87 1qh1 n GLY 270 Ca -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.04 3.73 -0.02 0.00 -1.25 -3.86 105.19 103.84 1qh1 n GLY 271 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1qh1 n GLY 271 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qh1 s THR 272 N -2.77 2.39 0.61 2.61 2.01 -0.24 -4.31 115.64 115.94 1qh1 s THR 272 Ca 0.00 0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.24 1qh1 s THR 272 Cb 0.00 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1qh1 s THR 272 CO 0.00 0.04 0.92 0.42 -0.69 0.00 0.00 174.62 175.31 1qh1 s THR 273 N 0.60 3.54 0.33 -0.82 -4.23 -1.26 -0.51 115.64 113.29 1qh1 s THR 273 Ca 0.67 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1qh1 s THR 273 Cb -0.45 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.21 1qh1 s THR 273 CO 0.38 -0.44 1.97 1.56 -0.54 0.00 0.00 174.62 177.55 1qh1 h GLN 274 N -0.24 0.85 -0.79 3.99 4.20 -1.94 -1.75 115.11 119.44 1qh1 h GLN 274 Ca -0.45 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.21 1qh1 h GLN 274 Cb 1.26 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1qh1 h GLN 274 CO 0.61 0.60 0.51 0.37 -0.67 0.00 0.00 178.83 180.25 1qh1 h GLN 275 N 0.86 0.98 -0.48 1.46 5.75 -1.98 0.74 115.11 122.45 1qh1 h GLN 275 Ca 0.22 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1qh1 h GLN 275 Cb -0.02 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1qh1 h GLN 275 CO -0.04 0.65 0.13 0.93 -2.65 0.00 0.00 178.83 177.85 1qh1 h GLU 276 N 1.01 0.75 -0.25 1.69 5.08 -1.72 -1.42 114.58 119.72 1qh1 h GLU 276 Ca 0.30 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1qh1 h GLU 276 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1qh1 h GLU 276 CO -0.09 0.72 -0.10 1.98 -1.00 0.00 0.00 179.01 180.51 1qh1 h MET 277 N 0.64 0.51 -0.20 2.33 4.05 -1.02 -2.62 114.93 118.62 1qh1 h MET 277 Ca 0.15 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1qh1 h MET 277 Cb 0.30 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1qh1 h MET 277 CO -0.00 0.76 -0.11 0.87 0.23 0.00 0.00 176.91 178.66 1qh1 h LYS 278 N 0.24 0.32 -0.17 0.39 1.57 -0.79 -2.64 116.57 115.50 1qh1 h LYS 278 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1qh1 h LYS 278 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1qh1 h LYS 278 CO 0.03 0.45 0.00 -0.85 -0.57 0.00 0.00 179.45 178.51 1qh1 n GLU 279 N -4.26 2.01 -0.36 3.15 0.28 -0.54 -4.47 120.64 116.45 1qh1 n GLU 279 Ca -0.00 -1.50 0.10 0.00 -0.16 0.00 0.00 57.16 55.60 1qh1 n GLU 279 Cb 0.28 -1.45 0.28 0.00 1.43 0.00 0.00 31.44 31.98 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 4.34 1.61 0.00 -1.84 0.00 -1.07 -0.34 119.26 121.95 1qh1 h ALA 280 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qh1 h ALA 280 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1qh1 h ALA 280 CO 0.00 0.08 0.00 -1.35 0.00 0.00 0.00 179.25 177.98 1qh1 h PRO 281 N 0.88 0.00 -0.01 0.00 0.11 -1.81 -1.52 132.00 129.65 1qh1 h PRO 281 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1qh1 h PRO 281 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1qh1 h PRO 281 CO -0.32 0.00 -0.14 -0.25 -0.21 0.00 0.00 178.00 177.08 1qh1 n ASP 282 N -2.94 1.04 -4.71 -2.05 8.00 -0.14 -3.69 116.55 112.06 1qh1 n ASP 282 Ca -0.02 -1.03 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 1qh1 n ASP 282 Cb 0.11 0.05 0.15 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.32 1.35 0.18 2.24 0.00 -0.58 -1.27 121.76 121.37 1qh1 s ALA 283 Ca 0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.91 1qh1 s ALA 283 Cb 0.20 -3.15 0.14 0.00 0.00 0.00 0.00 23.12 20.31 1qh1 s ALA 283 CO 0.45 -2.52 1.80 0.82 0.00 0.00 0.00 175.76 176.31 1qh1 h ILE 284 N -1.66 1.00 -2.14 0.00 2.04 -1.09 -2.46 117.51 113.20 1qh1 h ILE 284 Ca -0.51 -0.20 0.18 0.00 1.00 0.00 0.00 64.86 65.32 1qh1 h ILE 284 Cb 1.30 0.37 -0.12 0.00 -0.74 0.00 0.00 36.82 37.63 1qh1 h ILE 284 CO 0.56 0.11 0.56 -0.62 0.00 0.00 0.00 178.15 178.76 1qh1 s ASP 285 N -5.55 -0.23 -0.16 1.72 2.15 -1.26 -4.56 116.67 108.78 1qh1 s ASP 285 Ca -0.13 -0.18 0.01 0.00 0.43 0.00 0.00 52.55 52.67 1qh1 s ASP 285 Cb 0.14 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 1qh1 s ASP 285 CO 0.74 -0.67 -0.17 -0.89 -0.17 0.00 0.00 175.17 174.01 1qh1 s THR 286 N -3.05 2.47 -0.30 1.71 2.01 -1.26 -1.47 115.64 115.75 1qh1 s THR 286 Ca 0.09 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1qh1 s THR 286 Cb -0.00 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1qh1 s THR 286 CO -0.03 0.52 0.18 -0.76 -0.69 0.00 0.00 174.62 173.83 1qh1 s LEU 287 N 0.89 4.07 -0.54 4.42 1.43 0.04 -4.43 118.68 124.56 1qh1 s LEU 287 Ca -0.04 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 1qh1 s LEU 287 Cb -0.15 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1qh1 s LEU 287 CO -0.02 -0.12 0.83 -0.76 0.23 0.00 0.00 176.35 176.51 1qh1 s LEU 288 N 1.70 4.44 0.01 1.79 1.43 -1.26 -1.30 118.68 125.49 1qh1 s LEU 288 Ca 0.06 -0.60 0.27 0.00 -1.03 0.00 0.00 54.13 52.83 1qh1 s LEU 288 Cb -0.16 -2.66 0.85 0.00 0.03 0.00 0.00 46.19 44.24 1qh1 s LEU 288 CO 0.09 -1.12 1.66 0.18 0.23 0.00 0.00 176.35 177.39 1qh1 n LEU 289 N 7.00 0.29 -3.84 1.79 4.77 -0.02 -4.00 117.00 122.99 1qh1 n LEU 289 Ca -0.02 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 1qh1 n LEU 289 Cb 0.47 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1qh1 n LEU 289 CO 0.60 0.05 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.40 1qh1 s GLN 290 N -3.01 1.67 0.29 3.23 -0.21 -1.26 -3.53 119.66 116.83 1qh1 s GLN 290 Ca 0.12 -2.35 0.10 0.00 0.02 0.00 0.00 55.36 53.26 1qh1 s GLN 290 Cb 0.18 -2.88 0.41 0.00 1.00 0.00 0.00 33.01 31.71 1qh1 s GLN 290 CO 0.62 -1.13 1.64 -1.00 -2.12 0.00 0.00 175.29 173.30 1qh1 h PRO 291 N 6.60 0.01 -0.12 2.91 0.13 -1.83 -2.48 132.00 137.23 1qh1 h PRO 291 Ca -0.05 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.96 1qh1 h PRO 291 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1qh1 h PRO 291 CO 0.60 0.59 -0.44 -1.49 -0.23 0.00 0.00 178.00 177.03 1qh1 h TRP 292 N 0.01 0.33 0.00 1.56 4.06 -1.94 -3.17 115.95 116.79 1qh1 h TRP 292 Ca -0.01 -0.10 -0.14 0.00 2.06 0.00 0.00 58.89 60.71 1qh1 h TRP 292 Cb 1.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.09 1qh1 h TRP 292 CO 0.00 0.67 -1.40 0.00 -3.56 0.00 0.00 178.44 174.15 1qh1 n GLN 293 N -4.00 0.62 -1.65 0.49 10.64 -1.15 -4.57 117.38 117.77 1qh1 n GLN 293 Ca -0.02 0.18 -0.40 0.00 -1.83 0.00 0.00 57.00 54.93 1qh1 n GLN 293 Cb 0.50 -1.79 -0.02 0.00 -0.86 0.00 0.00 30.24 28.08 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 -2.82 8.26 -0.07 2.61 4.77 -0.95 -4.65 117.00 124.16 1qh1 n LEU 294 Ca -0.09 -4.56 -0.10 0.00 -0.03 0.00 0.00 56.01 51.24 1qh1 n LEU 294 Cb 0.79 -1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.31 1qh1 n LEU 294 CO 0.43 1.96 0.08 -0.07 -1.33 0.00 0.00 177.39 178.46 1qh1 h LEU 295 N 6.77 0.00 -1.18 2.23 3.38 -1.80 -2.44 115.31 122.26 1qh1 h LEU 295 Ca 0.77 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1qh1 h LEU 295 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1qh1 h LEU 295 CO 1.68 0.88 -0.40 0.11 0.09 0.00 0.00 178.44 180.81 1qh1 h LYS 296 N -1.00 0.00 -0.47 1.13 1.57 -1.88 -2.75 116.57 113.16 1qh1 h LYS 296 Ca -0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1qh1 h LYS 296 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1qh1 h LYS 296 CO -0.03 0.40 0.05 0.77 -0.57 0.00 0.00 179.45 180.07 1qh1 h SER 297 N 0.00 0.71 -0.46 0.86 0.02 -1.82 -0.84 113.55 112.03 1qh1 h SER 297 Ca -0.00 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 1qh1 h SER 297 Cb 0.74 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1qh1 h SER 297 CO 0.05 0.75 0.02 0.50 -1.14 0.00 0.00 176.83 177.01 1qh1 h LYS 298 N 0.72 0.87 -0.25 3.45 3.64 -1.15 -2.14 116.57 121.71 1qh1 h LYS 298 Ca 0.15 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1qh1 h LYS 298 Cb 0.37 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1qh1 h LYS 298 CO 0.01 0.86 -0.21 0.87 -2.27 0.00 0.00 179.45 178.71 1qh1 h LYS 299 N 0.81 0.45 0.17 1.90 1.57 -1.20 -0.27 116.57 120.00 1qh1 h LYS 299 Ca 0.16 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1qh1 h LYS 299 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1qh1 h LYS 299 CO 0.02 0.63 -0.21 0.28 -0.57 0.00 0.00 179.45 179.60 1qh1 h VAL 300 N 0.40 0.54 -0.58 0.50 2.07 -0.83 0.17 116.25 118.52 1qh1 h VAL 300 Ca 0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1qh1 h VAL 300 Cb 0.59 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1qh1 h VAL 300 CO 0.04 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.38 1qh1 h VAL 301 N -0.43 1.24 0.03 2.57 2.07 -0.86 -0.17 116.25 120.71 1qh1 h VAL 301 Ca 0.01 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.54 1qh1 h VAL 301 Cb 0.42 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1qh1 h VAL 301 CO -0.08 0.32 -0.76 1.56 0.02 0.00 0.00 177.57 178.62 1qh1 h GLN 302 N 0.82 0.07 0.09 1.57 4.20 -1.03 -1.03 115.11 119.80 1qh1 h GLN 302 Ca 0.18 -0.13 -0.28 0.00 0.06 0.00 0.00 58.65 58.49 1qh1 h GLN 302 Cb 0.31 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1qh1 h GLN 302 CO -0.00 1.06 -1.35 0.93 -0.67 0.00 0.00 178.83 178.80 1qh1 h GLU 303 N -0.81 0.19 0.10 1.46 5.08 -0.71 -2.73 114.58 117.16 1qh1 h GLU 303 Ca -0.19 -0.33 -0.35 0.00 -1.00 0.00 0.00 59.36 57.50 1qh1 h GLU 303 Cb 1.30 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1qh1 h GLU 303 CO -0.05 1.08 -1.91 -1.33 -1.00 0.00 0.00 179.01 175.81 1qh1 n MET 304 N -3.43 0.72 0.00 2.33 2.81 -0.20 -4.54 117.12 114.81 1qh1 n MET 304 Ca -0.11 0.31 0.10 0.00 -1.81 0.00 0.00 57.70 56.19 1qh1 n MET 304 Cb 1.02 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 31.77 1qh1 n MET 304 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1qh1 n TRP 305 N -3.65 0.00 -3.76 2.03 8.01 -0.46 -4.96 117.44 114.66 1qh1 n TRP 305 Ca -0.33 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.58 1qh1 n TRP 305 Cb 0.98 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.31 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 -0.69 -4.98 -4.94 -0.99 5.03 -0.96 -4.70 115.26 103.02 1qh1 n ASN 306 Ca 0.06 -0.67 -0.20 0.00 0.87 0.00 0.00 54.58 54.64 1qh1 n ASN 306 Cb 0.37 -3.99 -0.02 0.00 -1.02 0.00 0.00 39.78 35.13 1qh1 n ASN 306 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1qh1 s GLN 307 N -6.46 3.08 0.42 3.52 -0.21 -0.43 -4.88 119.66 114.70 1qh1 s GLN 307 Ca 0.61 -1.03 0.09 0.00 0.02 0.00 0.00 55.36 55.05 1qh1 s GLN 307 Cb -0.30 -2.74 0.89 0.00 1.00 0.00 0.00 33.01 31.86 1qh1 s GLN 307 CO 0.75 0.17 2.03 -1.35 -2.12 0.00 0.00 175.29 174.77 1qh1 h PRO 308 N 1.08 0.40 -6.23 2.91 0.11 -1.85 -3.37 132.00 125.04 1qh1 h PRO 308 Ca -0.47 -0.04 -0.44 0.00 0.11 0.00 0.00 66.00 65.16 1qh1 h PRO 308 Cb 1.25 -0.08 0.07 0.00 0.11 0.00 0.00 31.00 32.34 1qh1 h PRO 308 CO 0.56 0.32 -0.92 0.00 -0.21 0.00 0.00 178.00 177.76 1qh1 n ALA 309 N -2.49 -2.42 -1.66 -0.75 0.00 -1.26 -4.84 120.51 107.10 1qh1 n ALA 309 Ca 0.01 -0.23 -0.47 0.00 0.00 0.00 0.00 53.44 52.76 1qh1 n ALA 309 Cb 0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 19.45 15.92 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 -4.20 0.10 -2.35 0.00 -1.04 -1.26 -4.83 114.28 100.70 1qh1 n THR 310 Ca -0.14 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1qh1 n THR 310 Cb 0.61 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1qh1 n THR 310 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1qh1 s GLU 311 N 0.70 4.37 0.04 -2.82 2.12 -1.26 -4.65 118.70 117.19 1qh1 s GLU 311 Ca 0.79 1.84 0.04 0.00 0.36 0.00 0.00 54.97 58.00 1qh1 s GLU 311 Cb -0.72 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.25 1qh1 s GLU 311 CO 0.40 -0.37 -0.11 0.14 -0.54 0.00 0.00 175.26 174.78 1qh1 s VAL 312 N 1.47 0.86 0.52 3.70 -7.23 -1.26 -5.10 120.40 113.36 1qh1 s VAL 312 Ca 0.60 -0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 59.72 1qh1 s VAL 312 Cb -0.30 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1qh1 s VAL 312 CO 0.28 -0.09 0.94 0.00 -0.31 0.00 0.00 175.10 175.91 1qh1 s ALA 313 N -0.90 3.16 0.17 1.32 0.00 -1.26 -4.67 121.76 119.58 1qh1 s ALA 313 Ca -0.02 -0.04 -0.33 0.00 0.00 0.00 0.00 51.96 51.57 1qh1 s ALA 313 Cb -0.08 -2.98 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 1qh1 s ALA 313 CO 0.01 -0.34 1.51 1.51 0.00 0.00 0.00 175.76 178.45 1qh1 n ILE 314 N -1.93 0.24 -1.85 0.00 3.06 -1.23 -4.79 119.36 112.86 1qh1 n ILE 314 Ca 0.05 -0.06 -0.41 0.00 -2.50 0.00 0.00 62.75 59.83 1qh1 n ILE 314 Cb 0.54 -1.44 -0.00 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 2.96 3.43 -4.11 9.51 -0.04 -1.26 -4.83 135.00 140.66 1qh1 n PRO 315 Ca 0.16 -2.89 -0.33 0.00 -0.04 0.00 0.00 63.50 60.40 1qh1 n PRO 315 Cb 0.28 -3.02 -0.16 0.00 -0.04 0.00 0.00 33.50 30.56 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 0.67 2.41 0.00 1.53 0.20 -1.26 -0.93 118.68 121.30 1qh1 s LEU 316 Ca 0.50 -0.81 0.00 0.00 0.69 0.00 0.00 54.13 54.51 1qh1 s LEU 316 Cb 0.14 -1.49 0.00 0.00 -0.43 0.00 0.00 46.19 44.41 1qh1 s LEU 316 CO -0.06 -0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.57 1qh1 n GLY 317 N 4.58 0.85 0.13 7.98 0.00 -1.26 -4.43 105.19 113.04 1qh1 n GLY 317 Ca -0.19 -2.12 -0.12 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 -0.19 -1.09 0.99 5.85 -1.96 -2.66 115.31 116.26 1qh1 h LEU 318 Ca 0.00 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 1qh1 h LEU 318 Cb 0.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1qh1 h LEU 318 CO 0.00 0.30 -0.35 0.00 -0.34 0.00 0.00 178.44 178.05 1qh1 h ALA 319 N -0.09 1.24 0.00 1.25 0.00 -1.99 -0.57 119.26 119.10 1qh1 h ALA 319 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1qh1 h ALA 319 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1qh1 h ALA 319 CO 0.04 0.52 -0.49 0.00 0.00 0.00 0.00 179.25 179.32 1qh1 h ALA 320 N 1.48 0.77 0.11 0.00 0.00 -1.78 -0.85 119.26 118.99 1qh1 h ALA 320 Ca 0.02 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 1qh1 h ALA 320 Cb 0.70 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.44 1qh1 h ALA 320 CO 0.05 0.61 -1.11 1.15 0.00 0.00 0.00 179.25 179.95 1qh1 h THR 321 N 0.00 1.33 -0.94 0.00 2.02 -1.06 -1.62 112.91 112.63 1qh1 h THR 321 Ca -0.00 -2.42 0.11 0.00 0.77 0.00 0.00 66.41 64.87 1qh1 h THR 321 Cb 1.23 2.75 -0.08 0.00 -1.74 0.00 0.00 68.15 70.31 1qh1 h THR 321 CO 0.06 0.73 0.58 0.44 0.37 0.00 0.00 175.52 177.69 1qh1 h ASP 322 N 0.14 0.84 -0.12 4.18 3.32 -0.90 -1.26 116.42 122.62 1qh1 h ASP 322 Ca -0.17 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1qh1 h ASP 322 Cb 1.81 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 41.24 1qh1 h ASP 322 CO 0.21 0.46 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.31 1qh1 h GLU 323 N 0.93 0.71 -0.27 3.56 5.08 -1.04 -0.96 114.58 122.58 1qh1 h GLU 323 Ca 0.46 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qh1 h GLU 323 Cb 0.44 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1qh1 h GLU 323 CO -0.26 1.07 0.18 1.25 -1.00 0.00 0.00 179.01 180.25 1qh1 h LEU 324 N 0.54 0.31 -0.90 1.33 5.85 -0.82 -0.82 115.31 120.80 1qh1 h LEU 324 Ca 0.01 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1qh1 h LEU 324 Cb 1.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1qh1 h LEU 324 CO 0.11 0.22 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.30 1qh1 h LEU 325 N 0.36 0.72 -0.89 2.25 3.38 -1.06 -0.73 115.31 119.34 1qh1 h LEU 325 Ca 0.10 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1qh1 h LEU 325 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1qh1 h LEU 325 CO -0.02 0.83 -0.15 0.24 0.09 0.00 0.00 178.44 179.42 1qh1 h MET 326 N 0.68 0.65 -0.27 1.13 2.86 -0.95 -0.55 114.93 118.49 1qh1 h MET 326 Ca 0.12 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1qh1 h MET 326 Cb 0.52 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1qh1 h MET 326 CO 0.03 0.78 0.04 1.15 1.06 0.00 0.00 176.91 179.97 1qh1 h THR 327 N 0.59 1.23 -0.62 2.22 2.02 -0.73 -0.55 112.91 117.07 1qh1 h THR 327 Ca 0.10 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1qh1 h THR 327 Cb 0.60 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1qh1 h THR 327 CO 0.04 0.25 0.40 0.58 0.37 0.00 0.00 175.52 177.16 1qh1 h VAL 328 N 0.25 1.12 -0.64 3.16 2.07 -0.90 -1.47 116.25 119.84 1qh1 h VAL 328 Ca 0.08 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1qh1 h VAL 328 Cb 0.33 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1qh1 h VAL 328 CO 0.01 0.15 0.31 -1.28 0.02 0.00 0.00 177.57 176.77 1qh1 h SER 329 N 0.80 0.84 -0.23 0.57 0.87 -0.91 -1.86 113.55 113.63 1qh1 h SER 329 Ca 0.24 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1qh1 h SER 329 Cb -0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1qh1 h SER 329 CO -0.07 0.73 -0.02 1.56 -0.53 0.00 0.00 176.83 178.50 1qh1 h GLN 330 N 0.88 0.43 -0.19 2.24 4.20 -0.78 0.35 115.11 122.24 1qh1 h GLN 330 Ca 0.22 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1qh1 h GLN 330 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1qh1 h GLN 330 CO -0.03 0.63 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.24 1qh1 h LEU 331 N 0.19 0.51 0.00 1.46 3.38 -1.24 -3.24 115.31 116.37 1qh1 h LEU 331 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1qh1 h LEU 331 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1qh1 h LEU 331 CO 0.02 0.90 -1.08 -1.54 0.09 0.00 0.00 178.44 176.82 1qh1 n SER 332 N -4.00 0.62 -0.45 -0.43 3.41 -0.70 -4.99 113.62 107.08 1qh1 n SER 332 Ca -0.02 0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.54 1qh1 n SER 332 Cb 0.54 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 1qh1 n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qh1 n GLY 333 N 1.30 0.79 3.59 5.00 0.00 0.12 -5.02 105.19 110.96 1qh1 n GLY 333 Ca 0.01 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.07 2.95 0.58 1.61 1.02 -1.12 -5.02 119.74 117.69 1qh1 s LYS 334 Ca 0.00 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.30 1qh1 s LYS 334 Cb 0.00 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1qh1 s LYS 334 CO 0.00 0.60 1.09 -1.25 -0.92 0.00 0.00 175.35 174.87 1qh1 s PRO 335 N -0.62 3.25 0.15 -1.68 0.04 -1.26 -4.38 135.00 130.50 1qh1 s PRO 335 Ca 0.09 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 1qh1 s PRO 335 Cb -0.12 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1qh1 s PRO 335 CO 0.02 -0.90 1.53 0.42 0.04 0.00 0.00 177.00 178.11 1qh1 s ILE 336 N -2.11 2.80 0.35 0.56 1.01 -1.26 -4.90 121.20 117.64 1qh1 s ILE 336 Ca 0.68 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 1qh1 s ILE 336 Cb -0.20 -3.36 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 1qh1 s ILE 336 CO 0.32 0.04 1.39 0.00 0.00 0.00 0.00 174.94 176.70 1qh1 s ALA 337 N 1.20 3.54 0.55 9.38 0.00 -1.26 -4.86 121.76 130.31 1qh1 s ALA 337 Ca 0.69 1.40 0.23 0.00 0.00 0.00 0.00 51.96 54.28 1qh1 s ALA 337 Cb -0.42 -3.54 1.47 0.00 0.00 0.00 0.00 23.12 20.63 1qh1 s ALA 337 CO 0.31 -0.82 2.13 -0.44 0.00 0.00 0.00 175.76 176.94 1qh1 h ASP 338 N 3.32 0.00 0.44 0.00 3.32 -1.93 0.44 116.42 122.02 1qh1 h ASP 338 Ca -0.50 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 1qh1 h ASP 338 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1qh1 h ASP 338 CO 0.66 0.00 -0.52 0.00 -1.72 0.00 0.00 179.24 177.66 1qh1 h ALA 339 N 1.90 1.07 -0.30 3.45 0.00 -1.95 -0.76 119.26 122.67 1qh1 h ALA 339 Ca 0.07 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1qh1 h ALA 339 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qh1 h ALA 339 CO -0.00 0.66 -0.50 -0.07 0.00 0.00 0.00 179.25 179.34 1qh1 h LEU 340 N 0.07 0.92 -0.90 0.00 3.38 -1.30 -1.75 115.31 115.73 1qh1 h LEU 340 Ca -0.00 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1qh1 h LEU 340 Cb 0.94 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1qh1 h LEU 340 CO 0.07 1.25 0.30 0.74 0.09 0.00 0.00 178.44 180.89 1qh1 h THR 341 N 0.66 1.25 -0.17 0.22 2.02 -1.01 -0.81 112.91 115.06 1qh1 h THR 341 Ca 0.03 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1qh1 h THR 341 Cb 1.09 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1qh1 h THR 341 CO 0.11 0.32 0.09 0.25 0.37 0.00 0.00 175.52 176.66 1qh1 h LEU 342 N 1.08 0.20 -0.40 2.58 5.85 -1.10 -1.88 115.31 121.64 1qh1 h LEU 342 Ca 0.25 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1qh1 h LEU 342 Cb 0.20 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1qh1 h LEU 342 CO -0.02 0.22 0.17 -0.08 -0.34 0.00 0.00 178.44 178.39 1qh1 h GLU 343 N 0.17 0.35 -0.65 1.25 4.81 -0.98 -1.31 114.58 118.23 1qh1 h GLU 343 Ca 0.06 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1qh1 h GLU 343 Cb 0.06 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1qh1 h GLU 343 CO -0.01 0.23 0.31 -0.09 -0.73 0.00 0.00 179.01 178.72 1qh1 h ARG 344 N 0.36 0.53 0.00 1.92 2.43 -0.97 -1.46 114.38 117.20 1qh1 h ARG 344 Ca 0.18 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1qh1 h ARG 344 Cb 0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1qh1 h ARG 344 CO -0.15 0.35 -0.34 0.78 -1.51 0.00 0.00 179.97 179.10 1qh1 h GLY 345 N 0.55 0.00 1.50 2.80 0.00 -0.71 -0.64 103.07 106.57 1qh1 h GLY 345 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.48 1qh1 h GLY 345 CO -0.25 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 178.93 1qh1 h ARG 346 N 0.00 0.52 -0.32 4.80 3.08 -0.79 -0.93 114.38 120.73 1qh1 h ARG 346 Ca -0.00 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1qh1 h ARG 346 Cb 0.61 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1qh1 h ARG 346 CO 0.04 0.95 0.09 1.25 -1.07 0.00 0.00 179.97 181.23 1qh1 h LEU 347 N 0.39 0.48 -0.97 3.04 5.85 -0.67 -1.33 115.31 122.11 1qh1 h LEU 347 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1qh1 h LEU 347 Cb 1.11 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1qh1 h LEU 347 CO 0.11 0.57 0.60 0.58 -0.34 0.00 0.00 178.44 179.96 1qh1 h VAL 348 N 0.37 1.26 -0.88 1.05 2.07 -1.08 -0.78 116.25 118.26 1qh1 h VAL 348 Ca 0.10 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1qh1 h VAL 348 Cb 0.26 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 1qh1 h VAL 348 CO -0.00 0.26 0.56 -0.78 0.02 0.00 0.00 177.57 177.63 1qh1 h ASP 349 N 1.33 0.90 -0.67 0.57 3.58 -0.78 -0.76 116.42 120.59 1qh1 h ASP 349 Ca 0.35 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.74 1qh1 h ASP 349 Cb -0.09 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 1qh1 h ASP 349 CO -0.07 0.60 0.18 0.24 -2.88 0.00 0.00 179.24 177.31 1qh1 h MET 350 N 1.05 1.08 -0.72 0.28 2.86 -0.50 0.13 114.93 119.11 1qh1 h MET 350 Ca 0.36 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1qh1 h MET 350 Cb 0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1qh1 h MET 350 CO -0.14 0.94 0.22 0.52 1.06 0.00 0.00 176.91 179.51 1qh1 h MET 351 N 1.03 1.13 -0.18 1.72 2.86 -0.37 -1.40 114.93 119.71 1qh1 h MET 351 Ca 0.22 -0.25 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 1qh1 h MET 351 Cb 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1qh1 h MET 351 CO -0.00 0.97 -0.67 -0.07 1.06 0.00 0.00 176.91 178.20 1qh1 h LEU 352 N 1.07 0.83 -1.46 1.22 3.38 -0.89 -1.32 115.31 118.14 1qh1 h LEU 352 Ca 0.23 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1qh1 h LEU 352 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1qh1 h LEU 352 CO -0.01 1.28 0.01 0.44 0.09 0.00 0.00 178.44 180.25 1qh1 h ASP 353 N 0.52 0.32 -0.26 -0.43 3.32 -0.52 -3.18 116.42 116.19 1qh1 h ASP 353 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1qh1 h ASP 353 Cb 1.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1qh1 h ASP 353 CO 0.14 0.38 0.00 -1.20 -1.72 0.00 0.00 179.24 176.83 1qh1 n SER 354 N -4.35 2.77 0.19 6.45 7.64 -0.55 -4.74 113.62 121.03 1qh1 n SER 354 Ca 0.00 -1.83 0.05 0.00 1.01 0.00 0.00 58.87 58.11 1qh1 n SER 354 Cb 0.20 -0.17 0.49 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.70 0.08 0.00 1.43 2.07 -1.22 -2.58 115.15 117.63 1qh1 h HIS 355 Ca 0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1qh1 h HIS 355 Cb 0.71 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1qh1 h HIS 355 CO 0.17 0.21 0.00 1.79 -3.07 0.00 0.00 177.93 177.03 1qh1 h THR 356 N 0.07 0.00 0.00 6.12 1.35 -1.85 0.08 112.91 118.68 1qh1 h THR 356 Ca 0.02 -0.44 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1qh1 h THR 356 Cb 0.29 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1qh1 h THR 356 CO 0.02 0.00 -0.92 -0.50 -0.25 0.00 0.00 175.52 173.87 1qh1 h TRP 357 N 0.00 0.00 0.00 4.73 4.06 -1.84 -3.37 115.95 119.54 1qh1 h TRP 357 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 1qh1 h TRP 357 Cb 0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.61 1qh1 h TRP 357 CO 0.00 0.06 -2.19 1.28 -3.56 0.00 0.00 178.44 174.03 1qh1 n LEU 358 N -2.76 0.15 -4.71 -4.49 4.77 -0.84 -4.82 117.00 104.31 1qh1 n LEU 358 Ca -0.00 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1qh1 n LEU 358 Cb 0.58 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 1qh1 n LEU 358 CO 0.40 0.39 1.30 -2.28 -1.33 0.00 0.00 177.39 175.87 1qh1 s HIS 359 N -2.68 2.87 0.00 -1.77 2.46 -0.04 -1.38 115.29 114.74 1qh1 s HIS 359 Ca -0.09 0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1qh1 s HIS 359 Cb 0.08 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 1qh1 s HIS 359 CO 0.84 -3.87 0.00 0.41 -2.47 0.00 0.00 174.74 169.65 1qh1 n GLY 360 N 3.89 2.40 3.76 1.59 0.00 0.21 -4.99 105.19 112.05 1qh1 n GLY 360 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.28 3.41 -0.20 1.61 -0.14 -0.48 -4.70 119.74 118.96 1qh1 s LYS 361 Ca 0.00 2.29 -0.06 0.00 -1.36 0.00 0.00 55.97 56.84 1qh1 s LYS 361 Cb 0.00 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 1qh1 s LYS 361 CO 0.00 -1.00 0.02 0.15 -0.76 0.00 0.00 175.35 173.77 1qh1 s LYS 362 N -2.70 3.71 0.05 1.68 1.02 -1.26 -0.63 119.74 121.62 1qh1 s LYS 362 Ca 0.67 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.27 1qh1 s LYS 362 Cb -0.41 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1qh1 s LYS 362 CO 0.51 0.06 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.70 1qh1 s PHE 363 N 0.90 2.40 0.11 3.18 0.40 -0.03 -0.28 117.98 124.66 1qh1 s PHE 363 Ca 0.02 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1qh1 s PHE 363 Cb -0.14 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1qh1 s PHE 363 CO 0.02 0.18 0.24 0.20 0.70 0.00 0.00 175.22 176.56 1qh1 s GLY 364 N -1.33 1.92 -0.01 4.36 0.00 -0.38 -0.99 107.32 110.88 1qh1 s GLY 364 Ca 0.13 -0.96 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 1qh1 s GLY 364 CO 0.03 -0.95 0.50 0.48 0.00 0.00 0.00 173.10 173.16 1qh1 s LEU 365 N -2.90 0.06 0.19 0.66 2.34 -0.03 -0.69 118.68 118.31 1qh1 s LEU 365 Ca 0.34 0.35 -0.09 0.00 0.06 0.00 0.00 54.13 54.79 1qh1 s LEU 365 Cb -0.12 1.95 -0.01 0.00 -0.56 0.00 0.00 46.19 47.45 1qh1 s LEU 365 CO 0.28 -0.57 0.32 -0.72 -1.06 0.00 0.00 176.35 174.59 1qh1 s TYR 366 N -1.53 0.48 -5.00 3.48 -0.85 -0.99 -1.09 117.35 111.84 1qh1 s TYR 366 Ca -0.11 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 55.62 1qh1 s TYR 366 Cb -0.02 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.27 1qh1 s TYR 366 CO 0.05 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.71 1qh1 n GLY 367 N -0.26 0.00 3.79 5.49 0.00 -1.15 -4.66 105.19 108.40 1qh1 n GLY 367 Ca -0.05 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 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 5.09 0.18 1.61 1.01 -1.26 -4.33 116.67 114.97 1qh1 s ASP 368 Ca 0.00 1.79 -0.13 0.00 0.71 0.00 0.00 52.55 54.92 1qh1 s ASP 368 Cb 0.00 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.55 1qh1 s ASP 368 CO 0.00 -1.64 1.79 -0.65 0.21 0.00 0.00 175.17 174.88 1qh1 h PRO 369 N -0.55 0.49 -0.25 8.23 0.11 -1.94 -0.11 132.00 137.98 1qh1 h PRO 369 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1qh1 h PRO 369 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1qh1 h PRO 369 CO 0.54 0.32 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.14 1qh1 h ASP 370 N 0.50 0.49 -0.46 -2.05 3.32 -1.96 -0.98 116.42 115.29 1qh1 h ASP 370 Ca 0.22 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.93 1qh1 h ASP 370 Cb 0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1qh1 h ASP 370 CO -0.16 0.76 0.25 0.15 -1.72 0.00 0.00 179.24 178.52 1qh1 h PHE 371 N 0.22 0.47 -0.54 4.55 3.57 -1.89 -1.13 116.94 122.20 1qh1 h PHE 371 Ca 0.06 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1qh1 h PHE 371 Cb 0.55 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1qh1 h PHE 371 CO 0.05 0.26 -0.05 0.28 -2.23 0.00 0.00 178.31 176.62 1qh1 h VAL 372 N 0.51 1.26 -0.44 1.41 2.07 -0.85 0.83 116.25 121.04 1qh1 h VAL 372 Ca 0.19 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1qh1 h VAL 372 Cb 0.06 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1qh1 h VAL 372 CO -0.11 0.42 0.14 -0.03 0.02 0.00 0.00 177.57 178.00 1qh1 h MET 373 N 0.88 0.69 -0.37 1.57 1.85 -1.00 0.24 114.93 118.79 1qh1 h MET 373 Ca 0.15 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1qh1 h MET 373 Cb 0.58 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 1qh1 h MET 373 CO 0.04 0.67 0.02 0.78 -0.40 0.00 0.00 176.91 178.02 1qh1 h GLY 374 N 0.57 0.68 1.43 1.39 0.00 -0.74 -1.12 103.07 105.30 1qh1 h GLY 374 Ca 0.14 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1qh1 h GLY 374 CO -0.00 0.45 -0.31 -2.00 0.00 0.00 0.00 176.54 174.67 1qh1 h LEU 375 N 0.46 0.66 -0.52 3.11 5.85 -0.81 -1.81 115.31 122.26 1qh1 h LEU 375 Ca 0.11 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1qh1 h LEU 375 Cb 0.43 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1qh1 h LEU 375 CO 0.01 0.93 0.24 0.74 -0.34 0.00 0.00 178.44 180.02 1qh1 h THR 376 N 0.55 1.20 -0.67 1.05 2.02 -0.81 -0.49 112.91 115.76 1qh1 h THR 376 Ca 0.06 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1qh1 h THR 376 Cb 0.80 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1qh1 h THR 376 CO 0.07 0.23 0.41 -0.09 0.37 0.00 0.00 175.52 176.51 1qh1 h ARG 377 N 0.69 0.78 -0.18 6.66 2.43 -1.00 -1.45 114.38 122.31 1qh1 h ARG 377 Ca 0.18 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1qh1 h ARG 377 Cb 0.13 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qh1 h ARG 377 CO -0.02 0.52 -0.53 0.35 -1.51 0.00 0.00 179.97 178.78 1qh1 h PHE 378 N 0.81 0.66 -0.85 2.20 3.57 -0.95 -2.24 116.94 120.14 1qh1 h PHE 378 Ca 0.27 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1qh1 h PHE 378 Cb 0.03 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1qh1 h PHE 378 CO -0.05 0.95 0.46 -0.07 -2.23 0.00 0.00 178.31 177.37 1qh1 h LEU 379 N 0.41 1.07 -0.71 0.59 3.38 -0.67 -1.64 115.31 117.74 1qh1 h LEU 379 Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1qh1 h LEU 379 Cb 1.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1qh1 h LEU 379 CO 0.10 0.87 0.38 -0.07 0.09 0.00 0.00 178.44 179.81 1qh1 h LEU 380 N 1.19 0.89 -2.16 1.67 3.38 -0.95 -0.96 115.31 118.38 1qh1 h LEU 380 Ca 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1qh1 h LEU 380 Cb 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1qh1 h LEU 380 CO -0.05 0.74 -0.02 -0.33 0.09 0.00 0.00 178.44 178.87 1qh1 h GLU 381 N 0.97 0.00 0.00 1.13 5.08 -0.84 -1.71 114.58 119.21 1qh1 h GLU 381 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1qh1 h GLU 381 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1qh1 h GLU 381 CO -0.04 0.02 -0.49 1.28 -1.00 0.00 0.00 179.01 178.78 1qh1 n LEU 382 N -3.18 0.54 0.00 1.33 4.77 -0.67 -4.93 117.00 114.86 1qh1 n LEU 382 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1qh1 n LEU 382 Cb 0.20 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1qh1 n LEU 382 CO 0.25 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1qh1 n GLY 383 N 1.42 0.56 3.97 -0.72 0.00 -0.64 -4.58 105.19 105.20 1qh1 n GLY 383 Ca 0.05 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.21 2.36 -1.14 0.00 2.02 0.20 -4.13 118.70 113.80 1qh1 s GLU 385 Ca 0.42 -1.40 -0.19 0.00 0.02 0.00 0.00 54.97 53.83 1qh1 s GLU 385 Cb -0.09 -3.35 0.10 0.00 0.10 0.00 0.00 34.13 30.88 1qh1 s GLU 385 CO 0.32 -0.75 1.49 -1.25 0.02 0.00 0.00 175.26 175.09 1qh1 s PRO 386 N 1.26 3.84 0.18 0.39 0.04 -1.26 -0.85 135.00 138.59 1qh1 s PRO 386 Ca -0.01 -1.85 0.08 0.00 0.04 0.00 0.00 61.00 59.26 1qh1 s PRO 386 Cb -0.21 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1qh1 s PRO 386 CO -0.01 -2.05 1.41 1.79 0.04 0.00 0.00 177.00 178.17 1qh1 h THR 387 N 5.75 1.61 -3.46 1.26 1.35 -1.35 -3.41 112.91 114.66 1qh1 h THR 387 Ca 0.30 -2.92 -0.57 0.00 -0.55 0.00 0.00 66.41 62.67 1qh1 h THR 387 Cb 0.94 2.58 -0.38 0.00 -1.73 0.00 0.00 68.15 69.55 1qh1 h THR 387 CO 1.34 0.83 -0.78 -0.69 -0.25 0.00 0.00 175.52 175.97 1qh1 s VAL 388 N -3.06 1.18 -0.19 6.82 1.01 -1.15 -1.56 120.40 123.45 1qh1 s VAL 388 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1qh1 s VAL 388 Cb 0.11 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 35.05 1qh1 s VAL 388 CO 0.80 -0.06 -0.15 -0.63 0.00 0.00 0.00 175.10 175.06 1qh1 s ILE 389 N 1.57 1.89 -0.03 2.22 1.01 -0.47 -0.85 121.20 126.53 1qh1 s ILE 389 Ca -0.03 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1qh1 s ILE 389 Cb -0.17 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 1qh1 s ILE 389 CO -0.07 0.34 -0.14 -0.22 0.00 0.00 0.00 174.94 174.85 1qh1 s LEU 390 N 1.32 1.90 -0.23 2.97 0.20 -0.25 -0.53 118.68 124.07 1qh1 s LEU 390 Ca 0.01 -0.28 -0.04 0.00 0.69 0.00 0.00 54.13 54.51 1qh1 s LEU 390 Cb -0.15 -0.78 0.09 0.00 -0.43 0.00 0.00 46.19 44.92 1qh1 s LEU 390 CO -0.10 0.13 0.14 -0.55 -0.29 0.00 0.00 176.35 175.68 1qh1 s SER 391 N -0.01 2.58 0.26 3.68 0.15 -0.34 -2.93 113.70 117.08 1qh1 s SER 391 Ca -0.01 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 55.78 1qh1 s SER 391 Cb -0.09 -0.12 0.32 0.00 -1.71 0.00 0.00 66.02 64.42 1qh1 s SER 391 CO 0.01 -0.38 1.92 -0.74 1.20 0.00 0.00 173.24 175.24 1qh1 h HIS 392 N 8.39 1.24 -0.37 3.44 2.76 -1.76 -2.85 115.15 126.00 1qh1 h HIS 392 Ca -0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1qh1 h HIS 392 Cb 1.09 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1qh1 h HIS 392 CO 0.21 0.73 0.00 0.27 -1.30 0.00 0.00 177.93 177.84 1qh1 n ASN 393 N -4.42 2.65 -4.87 3.26 6.94 -1.26 -2.40 115.26 115.16 1qh1 n ASN 393 Ca 0.13 -1.91 -0.31 0.00 -0.02 0.00 0.00 54.58 52.47 1qh1 n ASN 393 Cb 0.07 -0.24 0.01 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.52 3.07 0.40 -2.53 0.00 -1.08 -4.88 121.76 115.21 1qh1 s ALA 394 Ca 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.27 1qh1 s ALA 394 Cb 0.19 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.26 1qh1 s ALA 394 CO 0.27 -0.73 0.29 0.27 0.00 0.00 0.00 175.76 175.86 1qh1 n ASN 395 N -2.78 2.28 0.15 0.00 0.23 -1.26 -4.37 115.26 109.51 1qh1 n ASN 395 Ca 0.06 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.73 1qh1 n ASN 395 Cb 0.54 -0.03 0.24 0.00 -2.08 0.00 0.00 39.78 38.45 1qh1 n ASN 395 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1qh1 h LYS 396 N 0.00 0.00 -0.38 -3.83 1.57 -1.99 -2.01 116.57 109.93 1qh1 h LYS 396 Ca -0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 1qh1 h LYS 396 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1qh1 h LYS 396 CO 0.40 0.53 -0.24 -0.09 -0.57 0.00 0.00 179.45 179.48 1qh1 h ARG 397 N 0.00 0.84 -0.21 3.15 2.43 -2.00 -1.07 114.38 117.53 1qh1 h ARG 397 Ca -0.01 -0.39 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1qh1 h ARG 397 Cb 0.95 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1qh1 h ARG 397 CO 0.07 1.03 0.11 2.35 -1.51 0.00 0.00 179.97 182.03 1qh1 h TRP 398 N 0.65 0.22 -0.92 2.20 7.01 -1.89 -2.04 115.95 121.17 1qh1 h TRP 398 Ca 0.08 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.15 1qh1 h TRP 398 Cb 0.81 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.74 1qh1 h TRP 398 CO 0.06 0.13 0.58 0.37 -2.79 0.00 0.00 178.44 176.79 1qh1 h GLN 399 N 0.24 1.02 -0.39 2.65 4.15 -1.11 0.87 115.11 122.54 1qh1 h GLN 399 Ca 0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1qh1 h GLN 399 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 1qh1 h GLN 399 CO -0.04 0.68 0.20 0.87 -1.93 0.00 0.00 178.83 178.61 1qh1 h LYS 400 N 1.06 0.56 -0.86 1.69 1.57 -0.91 -0.03 116.57 119.65 1qh1 h LYS 400 Ca 0.40 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1qh1 h LYS 400 Cb 0.18 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1qh1 h LYS 400 CO -0.18 0.47 0.54 0.00 -0.57 0.00 0.00 179.45 179.71 1qh1 h ALA 401 N 1.06 1.10 -0.19 3.86 0.00 -0.79 -1.26 119.26 123.04 1qh1 h ALA 401 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qh1 h ALA 401 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1qh1 h ALA 401 CO -0.02 0.55 0.09 0.52 0.00 0.00 0.00 179.25 180.39 1qh1 h MET 402 N 1.18 0.27 -0.40 0.00 2.86 -0.39 -1.97 114.93 116.48 1qh1 h MET 402 Ca 0.31 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1qh1 h MET 402 Cb -0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1qh1 h MET 402 CO -0.06 0.28 0.22 -0.91 1.06 0.00 0.00 176.91 177.50 1qh1 h ASN 403 N 0.18 0.47 -0.31 1.22 2.35 -0.89 -0.35 115.58 118.26 1qh1 h ASN 403 Ca 0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1qh1 h ASN 403 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1qh1 h ASN 403 CO -0.01 0.38 0.14 0.50 -1.65 0.00 0.00 177.43 176.79 1qh1 h LYS 404 N 0.55 0.45 -0.49 0.81 3.64 -1.07 0.16 116.57 120.62 1qh1 h LYS 404 Ca 0.14 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1qh1 h LYS 404 Cb 0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1qh1 h LYS 404 CO -0.02 0.44 0.18 1.98 -2.27 0.00 0.00 179.45 179.76 1qh1 h MET 405 N 0.36 0.74 -0.39 1.90 4.05 -0.76 -2.85 114.93 117.99 1qh1 h MET 405 Ca 0.11 -0.14 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1qh1 h MET 405 Cb 0.14 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1qh1 h MET 405 CO -0.01 0.67 -0.08 -0.07 0.23 0.00 0.00 176.91 177.65 1qh1 h LEU 406 N 0.65 0.74 -1.52 3.39 3.38 -0.91 -2.89 115.31 118.16 1qh1 h LEU 406 Ca 0.16 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1qh1 h LEU 406 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1qh1 h LEU 406 CO -0.01 0.93 0.35 0.44 0.09 0.00 0.00 178.44 180.24 1qh1 h ASP 407 N 0.55 0.55 0.00 -0.43 3.32 -0.62 -1.87 116.42 117.93 1qh1 h ASP 407 Ca 0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1qh1 h ASP 407 Cb 0.60 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1qh1 h ASP 407 CO 0.04 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1qh1 n ALA 408 N -2.47 2.53 -2.42 3.45 0.00 -1.08 -4.85 120.51 115.67 1qh1 n ALA 408 Ca 0.06 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1qh1 n ALA 408 Cb 0.11 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1qh1 n ALA 408 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qh1 s SER 409 N -1.94 3.70 0.61 0.00 0.15 -0.70 -5.00 113.70 110.52 1qh1 s SER 409 Ca 0.39 -0.32 0.35 0.00 0.70 0.00 0.00 55.95 57.07 1qh1 s SER 409 Cb 0.18 -0.65 1.98 0.00 -1.71 0.00 0.00 66.02 65.82 1qh1 s SER 409 CO 0.30 0.32 2.27 -0.65 1.20 0.00 0.00 173.24 176.68 1qh1 h PRO 410 N 5.21 0.00 -0.28 5.44 0.11 -1.88 -1.58 132.00 139.02 1qh1 h PRO 410 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qh1 h PRO 410 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qh1 h PRO 410 CO 0.49 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 178.95 1qh1 n TYR 411 N -3.51 0.35 -0.12 0.65 4.01 -1.26 -4.17 117.16 113.11 1qh1 n TYR 411 Ca -0.03 -0.18 0.08 0.00 -0.16 0.00 0.00 57.90 57.61 1qh1 n TYR 411 Cb 0.11 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.31 2.33 0.24 2.72 0.00 -0.59 -4.34 105.19 106.85 1qh1 n GLY 412 Ca 0.17 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 2.80 0.14 -0.41 1.61 3.08 -1.73 -2.18 114.38 117.71 1qh1 h ARG 413 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qh1 h ARG 413 Cb 0.79 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1qh1 h ARG 413 CO 0.00 0.28 0.00 -0.25 -1.07 0.00 0.00 179.97 178.93 1qh1 n ASP 414 N -4.32 4.45 -4.82 7.04 8.00 -1.26 -5.01 116.55 120.63 1qh1 n ASP 414 Ca -0.01 -2.83 -0.37 0.00 0.71 0.00 0.00 54.79 52.29 1qh1 n ASP 414 Cb 0.24 -0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.39 7.03 -0.05 -2.24 0.01 -0.82 -4.72 113.70 111.52 1qh1 s SER 415 Ca 0.45 1.33 0.04 0.00 1.31 0.00 0.00 55.95 59.08 1qh1 s SER 415 Cb 0.34 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1qh1 s SER 415 CO 0.14 0.11 -0.15 -1.61 0.41 0.00 0.00 173.24 172.13 1qh1 s GLU 416 N -1.75 1.68 -0.13 12.44 2.02 -0.60 -5.02 118.70 127.34 1qh1 s GLU 416 Ca 0.39 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 1qh1 s GLU 416 Cb -0.17 -1.44 -0.02 0.00 0.10 0.00 0.00 34.13 32.59 1qh1 s GLU 416 CO 0.21 0.17 -0.08 0.08 0.02 0.00 0.00 175.26 175.66 1qh1 s VAL 417 N 0.22 3.57 -0.10 2.63 1.01 -1.26 -1.37 120.40 125.09 1qh1 s VAL 417 Ca -0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1qh1 s VAL 417 Cb -0.12 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1qh1 s VAL 417 CO 0.03 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.11 1qh1 s PHE 418 N 0.08 2.15 0.20 5.22 0.40 0.31 -4.98 117.98 121.37 1qh1 s PHE 418 Ca -0.02 -0.96 0.10 0.00 -0.60 0.00 0.00 56.93 55.45 1qh1 s PHE 418 Cb -0.14 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 1qh1 s PHE 418 CO 0.03 -0.45 -0.21 0.96 0.70 0.00 0.00 175.22 176.26 1qh1 s ILE 419 N 0.72 2.18 -1.51 0.64 -4.36 -1.26 -1.20 121.20 116.40 1qh1 s ILE 419 Ca -0.12 -2.06 -0.05 0.00 -0.26 0.00 0.00 60.65 58.16 1qh1 s ILE 419 Cb -0.16 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.51 1qh1 s ILE 419 CO 0.02 -0.24 0.55 0.59 0.24 0.00 0.00 174.94 176.11 1qh1 n ASN 420 N 0.11 -5.67 -4.25 4.36 3.02 -1.01 -4.97 115.26 106.86 1qh1 n ASN 420 Ca -0.11 -0.28 -0.17 0.00 -0.03 0.00 0.00 54.58 53.98 1qh1 n ASN 420 Cb 0.57 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 35.03 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 0.30 2.12 0.10 0.00 5.68 -1.26 -3.88 116.55 119.61 1qh1 n ASP 422 Ca -0.14 -1.32 0.12 0.00 -0.50 0.00 0.00 54.79 52.96 1qh1 n ASP 422 Cb 0.58 0.05 0.45 0.00 -1.14 0.00 0.00 41.12 41.06 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 0.66 0.09 -2.12 4.77 0.34 -1.32 117.00 119.42 1qh1 n LEU 423 Ca -0.03 0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1qh1 n LEU 423 Cb 0.09 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1qh1 n LEU 423 CO 0.05 -0.33 0.28 -0.25 -1.33 0.00 0.00 177.39 175.81 1qh1 h TRP 424 N 0.00 0.21 -0.31 -1.77 2.91 -1.70 -0.58 115.95 114.71 1qh1 h TRP 424 Ca 0.00 -0.11 -0.06 0.00 1.13 0.00 0.00 58.89 59.84 1qh1 h TRP 424 Cb 0.54 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1qh1 h TRP 424 CO 0.00 0.92 -0.05 0.45 -1.03 0.00 0.00 178.44 178.73 1qh1 h HIS 425 N 0.08 0.65 -0.78 2.65 3.86 -1.76 -2.92 115.15 116.93 1qh1 h HIS 425 Ca -0.03 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1qh1 h HIS 425 Cb 1.47 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.74 1qh1 h HIS 425 CO 0.02 0.75 0.48 0.35 0.86 0.00 0.00 177.93 180.39 1qh1 h PHE 426 N 0.36 1.02 -0.40 2.45 3.57 -1.10 -2.00 116.94 120.84 1qh1 h PHE 426 Ca 0.08 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1qh1 h PHE 426 Cb 0.52 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1qh1 h PHE 426 CO 0.05 0.67 0.02 -0.09 -2.23 0.00 0.00 178.31 176.73 1qh1 h ARG 427 N 1.07 0.12 -0.34 1.11 2.43 -1.07 -0.79 114.38 116.90 1qh1 h ARG 427 Ca 0.28 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1qh1 h ARG 427 Cb -0.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1qh1 h ARG 427 CO -0.05 0.08 0.20 0.77 -1.51 0.00 0.00 179.97 179.46 1qh1 h SER 428 N 0.12 0.33 0.01 -3.80 0.02 -1.19 -2.41 113.55 106.63 1qh1 h SER 428 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1qh1 h SER 428 Cb 0.27 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1qh1 h SER 428 CO -0.31 0.24 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.54 1qh1 h LEU 429 N 0.41 0.00 -0.78 5.07 3.38 -0.89 -0.24 115.31 122.26 1qh1 h LEU 429 Ca 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1qh1 h LEU 429 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1qh1 h LEU 429 CO -0.06 0.01 -0.53 0.24 0.09 0.00 0.00 178.44 178.19 1qh1 h MET 430 N 0.00 0.21 -0.16 1.13 2.86 -0.67 0.44 114.93 118.74 1qh1 h MET 430 Ca -0.00 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 57.29 1qh1 h MET 430 Cb 0.02 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.70 1qh1 h MET 430 CO 0.00 0.69 -0.77 0.74 1.06 0.00 0.00 176.91 178.63 1qh1 h PHE 431 N 0.17 1.08 0.12 -0.22 0.04 -0.92 -2.70 116.94 114.52 1qh1 h PHE 431 Ca 0.00 -0.48 -0.35 0.00 2.80 0.00 0.00 57.97 59.95 1qh1 h PHE 431 Cb 0.99 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1qh1 h PHE 431 CO 0.02 1.31 -1.88 1.79 -0.60 0.00 0.00 178.31 178.95 1qh1 h THR 432 N 0.55 0.75 0.00 -1.55 1.35 -1.02 -3.37 112.91 109.62 1qh1 h THR 432 Ca -0.05 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1qh1 h THR 432 Cb 1.40 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1qh1 h THR 432 CO 0.16 0.83 -1.06 0.54 -0.25 0.00 0.00 175.52 175.74 1qh1 n ARG 433 N -3.44 0.44 -3.39 4.72 5.12 0.14 -5.04 116.66 115.21 1qh1 n ARG 433 Ca -0.27 0.03 -0.17 0.00 -1.93 0.00 0.00 57.85 55.51 1qh1 n ARG 433 Cb 1.05 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1qh1 n ARG 433 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1qh1 n GLN 434 N -2.27 -0.85 -1.15 5.56 -0.06 -1.02 -4.96 117.38 112.63 1qh1 n GLN 434 Ca 0.01 0.33 -0.29 0.00 -2.00 0.00 0.00 57.00 55.05 1qh1 n GLN 434 Cb 0.49 -1.26 0.16 0.00 -4.06 0.00 0.00 30.24 25.57 1qh1 n GLN 434 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1qh1 s PRO 435 N -4.22 0.74 0.16 3.69 0.04 -1.26 -4.95 135.00 129.20 1qh1 s PRO 435 Ca 0.05 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 1qh1 s PRO 435 Cb -0.03 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1qh1 s PRO 435 CO 0.54 -2.56 1.57 -0.44 0.04 0.00 0.00 177.00 176.14 1qh1 h ASP 436 N -1.78 1.03 -5.30 6.66 3.32 -1.01 -3.46 116.42 115.88 1qh1 h ASP 436 Ca -0.52 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.02 1qh1 h ASP 436 Cb 1.31 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 1qh1 h ASP 436 CO 0.56 1.17 -0.54 -0.36 -1.72 0.00 0.00 179.24 178.34 1qh1 s PHE 437 N -4.75 0.55 -0.02 4.55 0.40 -1.04 -4.19 117.98 113.48 1qh1 s PHE 437 Ca -0.12 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.26 1qh1 s PHE 437 Cb 0.12 -0.30 -0.00 0.00 0.51 0.00 0.00 43.02 43.35 1qh1 s PHE 437 CO 0.87 -0.53 -0.11 0.00 0.70 0.00 0.00 175.22 176.15 1qh1 s MET 438 N -3.96 1.06 -0.21 0.44 0.23 -0.55 -1.25 119.30 115.05 1qh1 s MET 438 Ca 0.15 -0.39 -0.06 0.00 -1.03 0.00 0.00 55.69 54.36 1qh1 s MET 438 Cb 0.06 -0.99 -0.03 0.00 -1.53 0.00 0.00 34.83 32.34 1qh1 s MET 438 CO -0.04 0.18 0.04 0.42 -2.03 0.00 0.00 175.02 173.59 1qh1 s ILE 439 N 0.00 4.28 0.00 3.16 1.01 0.14 -0.21 121.20 129.59 1qh1 s ILE 439 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1qh1 s ILE 439 Cb -0.07 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1qh1 s ILE 439 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1qh1 n GLY 440 N 4.28 2.21 0.25 6.18 0.00 -0.48 -2.35 105.19 115.28 1qh1 n GLY 440 Ca -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.10 1.05 0.29 1.61 0.23 -1.26 -1.22 115.26 115.86 1qh1 n ASN 441 Ca 0.00 -1.12 0.17 0.00 -0.53 0.00 0.00 54.58 53.10 1qh1 n ASN 441 Cb 0.00 -0.00 0.87 0.00 -2.08 0.00 0.00 39.78 38.57 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 0.04 0.00 0.34 0.53 0.02 -1.67 -0.51 113.55 112.30 1qh1 h SER 442 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1qh1 h SER 442 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1qh1 h SER 442 CO 0.03 0.05 -0.05 1.88 -1.14 0.00 0.00 176.83 177.60 1qh1 h TYR 443 N 0.00 0.00 0.00 3.45 0.05 -1.95 -1.80 116.97 116.72 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 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1qh1 h TYR 443 CO 0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1qh1 n GLY 444 N -0.73 -1.19 0.33 3.88 0.00 -0.20 -2.94 105.19 104.34 1qh1 n GLY 444 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1qh1 n GLY 444 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qh1 h LYS 445 N 0.00 0.72 0.00 1.61 2.10 -1.49 -1.17 116.57 118.34 1qh1 h LYS 445 Ca 0.00 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1qh1 h LYS 445 Cb 0.35 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1qh1 h LYS 445 CO 0.00 0.48 -0.41 0.74 -2.00 0.00 0.00 179.45 178.26 1qh1 h PHE 446 N 0.74 0.00 -0.03 0.07 0.04 -1.75 -1.10 116.94 114.91 1qh1 h PHE 446 Ca 0.22 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.78 1qh1 h PHE 446 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1qh1 h PHE 446 CO -0.00 0.41 -0.86 0.82 -0.60 0.00 0.00 178.31 178.08 1qh1 h ILE 447 N 0.00 1.39 -0.20 -0.55 2.04 -1.42 -0.78 117.51 118.00 1qh1 h ILE 447 Ca -0.00 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.51 1qh1 h ILE 447 Cb 1.03 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1qh1 h ILE 447 CO 0.05 0.70 0.04 -0.61 0.00 0.00 0.00 178.15 178.33 1qh1 h GLN 448 N 0.26 0.32 -0.62 2.37 4.15 -1.00 -0.83 115.11 119.75 1qh1 h GLN 448 Ca -0.06 -0.08 0.11 0.00 0.77 0.00 0.00 58.65 59.39 1qh1 h GLN 448 Cb 1.47 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 29.04 1qh1 h GLN 448 CO 0.15 0.45 0.19 -0.09 -1.93 0.00 0.00 178.83 177.60 1qh1 h ARG 449 N 0.13 0.33 -0.57 1.69 1.12 -1.14 -1.42 114.38 114.52 1qh1 h ARG 449 Ca 0.06 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.86 1qh1 h ARG 449 Cb 0.28 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1qh1 h ARG 449 CO 0.00 0.22 0.16 -0.44 -3.11 0.00 0.00 179.97 176.81 1qh1 h ASP 450 N 0.34 0.85 -0.39 -3.80 3.32 -0.56 -1.93 116.42 114.24 1qh1 h ASP 450 Ca 0.32 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1qh1 h ASP 450 Cb 0.45 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qh1 h ASP 450 CO -0.36 0.84 -0.19 0.71 -1.72 0.00 0.00 179.24 178.51 1qh1 h THR 451 N 0.81 1.27 -0.37 0.35 1.35 -0.81 -2.46 112.91 113.05 1qh1 h THR 451 Ca 0.18 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1qh1 h THR 451 Cb 0.31 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1qh1 h THR 451 CO -0.00 0.45 0.20 0.25 -0.25 0.00 0.00 175.52 176.17 1qh1 h LEU 452 N 0.77 0.44 -1.26 3.87 5.85 -1.07 -2.16 115.31 121.76 1qh1 h LEU 452 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1qh1 h LEU 452 Cb 0.73 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1qh1 h LEU 452 CO 0.06 0.35 -0.04 0.00 -0.34 0.00 0.00 178.44 178.47 1qh1 h ALA 453 N 1.72 1.00 -0.38 1.25 0.00 -0.86 -0.64 119.26 121.35 1qh1 h ALA 453 Ca 0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1qh1 h ALA 453 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qh1 h ALA 453 CO -0.02 0.06 -0.27 -0.22 0.00 0.00 0.00 179.25 178.80 1qh1 h LYS 454 N 0.00 0.79 0.00 0.00 3.64 -1.34 -3.48 116.57 116.18 1qh1 h LYS 454 Ca -0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1qh1 h LYS 454 Cb 0.60 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1qh1 h LYS 454 CO 0.01 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 1qh1 n GLY 455 N -0.15 2.58 0.37 5.01 0.00 -0.25 -4.94 105.19 107.81 1qh1 n GLY 455 Ca -0.00 -0.76 0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 0.85 0.00 1.61 1.57 -1.88 -0.28 116.57 118.43 1qh1 h LYS 456 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qh1 h LYS 456 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1qh1 h LYS 456 CO 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1qh1 h ALA 457 N 1.57 1.00 -0.03 3.86 0.00 -1.94 -2.94 119.26 120.79 1qh1 h ALA 457 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1qh1 h ALA 457 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qh1 h ALA 457 CO -0.25 0.00 -0.03 1.19 0.00 0.00 0.00 179.25 180.16 1qh1 n PHE 458 N -2.97 0.00 -1.92 0.00 3.72 -0.13 -5.00 117.46 111.16 1qh1 n PHE 458 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1qh1 n PHE 458 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.89 4.21 -0.34 -1.08 2.12 -1.11 -4.67 118.70 115.93 1qh1 s GLU 459 Ca 0.25 2.41 -0.01 0.00 0.36 0.00 0.00 54.97 57.99 1qh1 s GLU 459 Cb 0.18 -3.06 0.08 0.00 0.26 0.00 0.00 34.13 31.59 1qh1 s GLU 459 CO 0.30 -0.48 0.08 0.08 -0.54 0.00 0.00 175.26 174.69 1qh1 s VAL 460 N -0.21 2.93 0.46 3.70 1.01 -1.26 -4.96 120.40 122.07 1qh1 s VAL 460 Ca 0.59 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 1qh1 s VAL 460 Cb -0.44 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1qh1 s VAL 460 CO 0.47 -0.40 1.18 -2.84 0.00 0.00 0.00 175.10 173.51 1qh1 s PRO 461 N 1.14 3.75 0.03 2.72 0.02 -1.26 -4.48 135.00 136.93 1qh1 s PRO 461 Ca 0.02 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 62.66 1qh1 s PRO 461 Cb -0.21 -2.42 -0.06 0.00 0.02 0.00 0.00 34.50 31.83 1qh1 s PRO 461 CO -0.04 -0.57 0.58 -1.17 -0.33 0.00 0.00 177.00 175.47 1qh1 s LEU 462 N -3.00 4.47 -0.19 -5.54 2.96 -1.26 -1.49 118.68 114.63 1qh1 s LEU 462 Ca 0.63 1.20 -0.03 0.00 -0.22 0.00 0.00 54.13 55.72 1qh1 s LEU 462 Cb -0.29 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1qh1 s LEU 462 CO 0.36 0.19 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.88 1qh1 s ILE 463 N -0.65 3.26 -0.60 6.68 1.01 0.71 -4.95 121.20 126.66 1qh1 s ILE 463 Ca 0.30 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 1qh1 s ILE 463 Cb -0.19 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.88 1qh1 s ILE 463 CO 0.18 0.46 1.02 -0.13 0.00 0.00 0.00 174.94 176.46 1qh1 s ARG 464 N 1.15 3.28 -0.15 2.79 0.52 -1.26 -1.38 118.95 123.90 1qh1 s ARG 464 Ca 0.02 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1qh1 s ARG 464 Cb -0.14 -4.11 0.06 0.00 0.52 0.00 0.00 34.95 31.28 1qh1 s ARG 464 CO -0.02 -1.67 0.14 -0.51 0.02 0.00 0.00 175.30 173.27 1qh1 s LEU 465 N 4.30 0.09 0.00 2.53 1.43 -0.36 -4.95 118.68 121.73 1qh1 s LEU 465 Ca 0.30 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1qh1 s LEU 465 Cb -0.12 0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.17 1qh1 s LEU 465 CO 0.17 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1qh1 n GLY 466 N 5.30 0.36 3.42 -3.19 0.00 -1.26 -4.11 105.19 105.71 1qh1 n GLY 466 Ca -0.06 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.91 -0.68 0.26 1.61 5.36 -1.26 -4.48 117.98 114.88 1qh1 s PHE 467 Ca 0.00 1.51 -0.07 0.00 -0.96 0.00 0.00 56.93 57.41 1qh1 s PHE 467 Cb 0.00 0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.92 1qh1 s PHE 467 CO 0.00 -0.34 0.55 -1.25 -1.46 0.00 0.00 175.22 172.72 1qh1 s PRO 468 N 0.85 3.72 -0.37 10.12 0.04 -1.26 -4.87 135.00 143.23 1qh1 s PRO 468 Ca -0.05 0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1qh1 s PRO 468 Cb -0.05 -2.64 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1qh1 s PRO 468 CO -0.07 0.26 0.13 -0.51 0.04 0.00 0.00 177.00 176.85 1qh1 s LEU 469 N -3.18 4.77 -0.00 -3.56 1.43 -1.26 -1.67 118.68 115.20 1qh1 s LEU 469 Ca 0.46 -1.74 0.05 0.00 -1.03 0.00 0.00 54.13 51.87 1qh1 s LEU 469 Cb -0.11 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1qh1 s LEU 469 CO 0.26 -0.44 0.19 0.49 0.23 0.00 0.00 176.35 177.08 1qh1 n PHE 470 N 4.61 0.00 -0.83 0.29 3.72 -1.26 -4.49 117.46 119.50 1qh1 n PHE 470 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 1qh1 n PHE 470 Cb 0.42 -0.05 0.15 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.33 2.74 -4.09 4.37 5.75 -1.26 -4.93 116.55 117.80 1qh1 n ASP 471 Ca 0.00 -2.84 -0.08 0.00 -0.01 0.00 0.00 54.79 51.87 1qh1 n ASP 471 Cb 0.11 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.46 0.61 0.02 0.11 1.81 -1.26 -5.17 118.95 112.61 1qh1 s ARG 472 Ca 0.29 -1.17 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1qh1 s ARG 472 Cb 0.24 0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.85 1qh1 s ARG 472 CO 0.05 -0.09 0.07 -1.01 -0.68 0.00 0.00 175.30 173.63 1qh1 s HIS 473 N -3.63 3.22 -1.44 -0.53 3.76 -1.26 -4.67 115.29 110.74 1qh1 s HIS 473 Ca 0.05 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 1qh1 s HIS 473 Cb 0.06 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 32.06 1qh1 s HIS 473 CO -0.08 0.53 0.00 0.72 -0.85 0.00 0.00 174.74 175.05 1qh1 n HIS 474 N 0.99 0.00 0.18 1.40 8.25 -1.26 -4.87 115.22 119.91 1qh1 n HIS 474 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1qh1 n HIS 474 Cb 0.52 -2.54 0.29 0.00 1.12 0.00 0.00 29.99 29.39 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 0.00 2.41 3.38 -1.91 -2.15 115.31 117.04 1qh1 h LEU 475 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qh1 h LEU 475 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1qh1 h LEU 475 CO 0.41 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1qh1 n HIS 476 N -3.43 0.00 0.35 1.13 1.44 -1.26 -1.64 115.22 111.81 1qh1 n HIS 476 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1qh1 n HIS 476 Cb 0.54 -0.32 0.24 0.00 0.12 0.00 0.00 29.99 30.58 1qh1 n HIS 476 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qh1 h ARG 477 N 0.00 0.00 -7.29 -1.40 3.08 -1.72 0.70 114.38 107.75 1qh1 h ARG 477 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 1qh1 h ARG 477 Cb 0.08 0.00 0.19 0.00 0.08 0.00 0.00 29.97 30.33 1qh1 h ARG 477 CO 0.00 0.00 0.08 -0.65 -1.07 0.00 0.00 179.97 178.33 1qh1 s GLN 478 N -3.18 -1.23 -0.02 0.04 -0.21 -0.65 -3.25 119.66 111.16 1qh1 s GLN 478 Ca 0.08 0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.69 1qh1 s GLN 478 Cb 0.08 -1.57 -0.01 0.00 1.00 0.00 0.00 33.01 32.50 1qh1 s GLN 478 CO 0.65 -3.77 -0.18 0.99 -2.12 0.00 0.00 175.29 170.87 1qh1 s THR 479 N -2.80 1.43 0.00 -0.19 2.01 -1.26 -1.87 115.64 112.97 1qh1 s THR 479 Ca 0.69 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1qh1 s THR 479 Cb -0.14 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1qh1 s THR 479 CO 0.58 0.41 0.09 0.35 -0.69 0.00 0.00 174.62 175.35 1qh1 n THR 480 N 2.82 0.00 -3.61 -0.82 -2.24 -1.26 -4.28 114.28 104.89 1qh1 n THR 480 Ca -0.16 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 1qh1 n THR 480 Cb 0.53 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.50 2.97 0.06 4.78 0.51 -1.26 -4.08 118.94 121.42 1qh1 s TRP 481 Ca 0.00 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.69 1qh1 s TRP 481 Cb 0.00 -1.94 0.00 0.00 -0.81 0.00 0.00 33.47 30.72 1qh1 s TRP 481 CO 0.00 0.05 0.00 0.41 -0.51 0.00 0.00 176.95 176.90 1qh1 n GLY 482 N -1.52 -2.12 0.21 0.98 0.00 -0.10 -1.11 105.19 101.53 1qh1 n GLY 482 Ca -0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.24 0.49 -0.12 1.61 0.05 -1.91 -1.62 116.97 115.24 1qh1 h TYR 483 Ca 0.01 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1qh1 h TYR 483 Cb 0.23 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1qh1 h TYR 483 CO 0.00 0.78 0.07 1.49 -1.05 0.00 0.00 178.16 179.45 1qh1 h GLU 484 N 0.34 0.14 -0.69 4.88 4.81 -1.95 0.23 114.58 122.35 1qh1 h GLU 484 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1qh1 h GLU 484 Cb 0.90 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1qh1 h GLU 484 CO 0.08 0.10 0.33 0.78 -0.73 0.00 0.00 179.01 179.56 1qh1 h GLY 485 N 0.15 1.04 1.73 1.92 0.00 -1.02 -2.62 103.07 104.28 1qh1 h GLY 485 Ca 0.04 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1qh1 h GLY 485 CO -0.02 0.47 -0.41 0.00 0.00 0.00 0.00 176.54 176.59 1qh1 h ALA 486 N 1.40 1.07 -0.92 3.60 0.00 -0.69 -0.02 119.26 123.69 1qh1 h ALA 486 Ca 0.24 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qh1 h ALA 486 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1qh1 h ALA 486 CO -0.03 0.60 0.58 0.52 0.00 0.00 0.00 179.25 180.92 1qh1 h MET 487 N 0.25 1.23 -0.41 0.00 2.07 -0.75 -0.02 114.93 117.30 1qh1 h MET 487 Ca 0.02 -0.10 -0.02 0.00 -2.07 0.00 0.00 59.70 57.54 1qh1 h MET 487 Cb 0.83 -0.27 -0.02 0.00 -1.87 0.00 0.00 31.60 30.27 1qh1 h MET 487 CO 0.07 0.84 0.18 -0.97 1.07 0.00 0.00 176.91 178.10 1qh1 h ASN 488 N 1.26 0.55 -0.30 1.22 -1.24 -1.06 -1.07 115.58 114.93 1qh1 h ASN 488 Ca 0.33 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 1qh1 h ASN 488 Cb -0.09 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1qh1 h ASN 488 CO -0.07 0.54 0.09 0.40 -1.29 0.00 0.00 177.43 177.10 1qh1 h ILE 489 N 0.51 1.21 -0.17 2.57 2.04 -0.61 0.61 117.51 123.67 1qh1 h ILE 489 Ca 0.14 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1qh1 h ILE 489 Cb 0.16 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1qh1 h ILE 489 CO -0.01 0.23 0.08 0.58 0.00 0.00 0.00 178.15 179.02 1qh1 h VAL 490 N 0.33 0.99 -0.44 1.67 2.07 -0.91 0.23 116.25 120.20 1qh1 h VAL 490 Ca 0.10 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1qh1 h VAL 490 Cb 0.26 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1qh1 h VAL 490 CO -0.00 0.03 0.26 0.74 0.02 0.00 0.00 177.57 178.62 1qh1 h THR 491 N 0.17 1.06 -0.67 2.57 2.02 -1.07 -0.57 112.91 116.43 1qh1 h THR 491 Ca 0.07 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1qh1 h THR 491 Cb 0.02 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1qh1 h THR 491 CO -0.05 0.10 0.44 0.74 0.37 0.00 0.00 175.52 177.11 1qh1 h THR 492 N 0.53 1.18 -0.07 3.16 2.02 -0.55 -0.84 112.91 118.33 1qh1 h THR 492 Ca 0.17 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1qh1 h THR 492 Cb -0.00 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1qh1 h THR 492 CO -0.07 0.17 -0.11 -0.07 0.37 0.00 0.00 175.52 175.81 1qh1 h LEU 493 N 0.91 0.21 -0.79 2.58 3.38 -0.67 -1.09 115.31 119.85 1qh1 h LEU 493 Ca 0.24 -0.54 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 1qh1 h LEU 493 Cb -0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1qh1 h LEU 493 CO -0.05 0.71 -0.05 1.62 0.09 0.00 0.00 178.44 180.76 1qh1 h VAL 494 N -0.27 1.26 0.00 1.22 3.04 -1.08 -2.11 116.25 118.31 1qh1 h VAL 494 Ca 0.01 -1.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1qh1 h VAL 494 Cb 0.66 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1qh1 h VAL 494 CO 0.02 0.39 0.00 0.78 -1.01 0.00 0.00 177.57 177.76 1qh1 h ASN 495 N 0.79 0.00 -0.42 3.17 2.35 -1.13 -0.62 115.58 119.72 1qh1 h ASN 495 Ca 0.14 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1qh1 h ASN 495 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1qh1 h ASN 495 CO 0.03 0.00 -0.27 0.00 -1.65 0.00 0.00 177.43 175.54 1qh1 h ALA 496 N 2.07 0.60 -0.30 -0.83 0.00 -0.81 0.94 119.26 120.92 1qh1 h ALA 496 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qh1 h ALA 496 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1qh1 h ALA 496 CO 0.00 0.63 0.18 0.28 0.00 0.00 0.00 179.25 180.34 1qh1 h VAL 497 N 0.76 1.10 -0.09 0.00 2.07 -0.64 -2.25 116.25 117.21 1qh1 h VAL 497 Ca 0.09 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 1qh1 h VAL 497 Cb 0.86 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1qh1 h VAL 497 CO 0.08 0.10 -0.56 -0.07 0.02 0.00 0.00 177.57 177.14 1qh1 h LEU 498 N 0.39 0.30 -0.71 2.57 3.38 -1.03 -0.98 115.31 119.22 1qh1 h LEU 498 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1qh1 h LEU 498 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1qh1 h LEU 498 CO -0.02 0.80 0.03 -0.08 0.09 0.00 0.00 178.44 179.26 1qh1 h GLU 499 N 0.20 1.02 -0.31 1.13 4.57 -0.75 -0.91 114.58 119.53 1qh1 h GLU 499 Ca 0.00 -0.30 -0.14 0.00 -1.18 0.00 0.00 59.36 57.75 1qh1 h GLU 499 Cb 1.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1qh1 h GLU 499 CO 0.09 0.98 -0.36 -0.22 -1.18 0.00 0.00 179.01 178.32 1qh1 h LYS 500 N 0.94 0.71 -0.20 1.92 1.63 -1.22 -0.93 116.57 119.42 1qh1 h LYS 500 Ca 0.18 -0.35 -0.15 0.00 -0.85 0.00 0.00 60.65 59.47 1qh1 h LYS 500 Cb 0.50 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1qh1 h LYS 500 CO 0.02 0.96 -0.47 1.25 -3.45 0.00 0.00 179.45 177.76 1qh1 h LEU 501 N 0.59 0.76 -0.53 5.20 5.85 -0.92 -0.27 115.31 125.99 1qh1 h LEU 501 Ca 0.06 -0.57 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1qh1 h LEU 501 Cb 0.89 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1qh1 h LEU 501 CO 0.08 1.19 0.27 0.44 -0.34 0.00 0.00 178.44 180.08 1qh1 h ASP 502 N 0.37 0.39 -0.62 1.25 3.32 -1.06 -1.34 116.42 118.73 1qh1 h ASP 502 Ca -0.00 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1qh1 h ASP 502 Cb 1.09 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 1qh1 h ASP 502 CO 0.10 0.27 0.40 -1.28 -1.72 0.00 0.00 179.24 177.01 1qh1 h SER 503 N 0.53 0.67 0.12 6.45 0.87 -0.80 -1.66 113.55 119.73 1qh1 h SER 503 Ca 0.23 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1qh1 h SER 503 Cb 0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1qh1 h SER 503 CO -0.16 0.47 -0.16 0.44 -0.53 0.00 0.00 176.83 176.90 1qh1 h ASP 504 N 0.79 0.08 -0.62 6.23 3.32 -0.62 -2.79 116.42 122.81 1qh1 h ASP 504 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1qh1 h ASP 504 Cb -0.04 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1qh1 h ASP 504 CO -0.08 0.25 0.00 0.35 -1.72 0.00 0.00 179.24 178.04 1qh1 n THR 505 N -4.31 1.79 -0.37 0.35 -2.24 -0.55 -4.60 114.28 104.35 1qh1 n THR 505 Ca -0.02 -1.22 0.06 0.00 -2.27 0.00 0.00 64.05 60.61 1qh1 n THR 505 Cb 0.25 0.15 0.31 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.04 4.43 -4.46 3.42 3.41 -0.66 -2.91 113.62 117.90 1qh1 n SER 506 Ca 0.25 -2.59 -0.44 0.00 -0.26 0.00 0.00 58.87 55.84 1qh1 n SER 506 Cb 0.86 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1qh1 n SER 506 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1qh1 s GLN 507 N -2.15 3.14 -0.17 4.33 0.74 -1.26 -4.92 119.66 119.36 1qh1 s GLN 507 Ca 0.42 -0.83 -0.36 0.00 0.05 0.00 0.00 55.36 54.65 1qh1 s GLN 507 Cb 0.30 -4.07 -0.13 0.00 1.10 0.00 0.00 33.01 30.21 1qh1 s GLN 507 CO 0.16 -1.18 1.87 -0.11 -0.55 0.00 0.00 175.29 175.48 1qh1 n LEU 508 N 6.15 3.04 0.00 3.68 7.94 -1.26 -1.31 117.00 135.24 1qh1 n LEU 508 Ca -0.06 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1qh1 n LEU 508 Cb 0.46 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1qh1 n LEU 508 CO 0.53 -0.22 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 1qh1 n GLY 509 N 4.54 1.06 0.99 -3.96 0.00 -1.26 -4.84 105.19 101.72 1qh1 n GLY 509 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1qh1 n GLY 509 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qh1 n LYS 510 N -2.00 0.00 -0.15 1.61 3.00 -0.42 -4.93 118.16 115.27 1qh1 n LYS 510 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 1qh1 n LYS 510 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 1qh1 n LYS 510 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1qh1 n THR 511 N -2.21 0.49 0.93 3.15 -2.24 -0.86 -4.59 114.28 108.95 1qh1 n THR 511 Ca 0.00 -0.75 0.04 0.00 -2.27 0.00 0.00 64.05 61.08 1qh1 n THR 511 Cb 0.00 0.95 0.13 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.14 1.78 0.28 3.42 5.75 -1.14 -2.62 116.55 125.16 1qh1 n ASP 512 Ca 0.15 -2.06 0.13 0.00 -0.01 0.00 0.00 54.79 53.00 1qh1 n ASP 512 Cb 0.51 -0.26 0.82 0.00 -1.03 0.00 0.00 41.12 41.16 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 1.67 0.00 -0.24 2.11 -0.00 -1.84 -2.31 116.97 116.36 1qh1 h TYR 513 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1qh1 h TYR 513 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.19 1qh1 h TYR 513 CO 0.24 0.03 -0.08 0.45 -0.00 0.00 0.00 178.16 178.80 1qh1 n SER 514 N -3.95 2.83 -3.79 0.10 2.88 -1.08 -4.80 113.62 105.82 1qh1 n SER 514 Ca -0.03 -3.44 -0.42 0.00 -1.33 0.00 0.00 58.87 53.65 1qh1 n SER 514 Cb 0.12 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -0.98 3.04 -2.33 0.66 7.35 -0.87 -4.91 117.46 119.42 1qh1 n PHE 515 Ca 0.26 -2.84 -0.41 0.00 -0.76 0.00 0.00 57.45 53.70 1qh1 n PHE 515 Cb 0.90 -2.10 -0.03 0.00 0.35 0.00 0.00 39.48 38.59 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 1.42 7.05 0.26 -2.13 1.11 -1.26 -4.94 116.67 118.18 1qh1 s ASP 516 Ca 0.43 2.36 -0.04 0.00 0.18 0.00 0.00 52.55 55.47 1qh1 s ASP 516 Cb 0.11 -2.62 0.32 0.00 1.07 0.00 0.00 42.92 41.80 1qh1 s ASP 516 CO -0.03 -0.36 1.90 0.25 1.18 0.00 0.00 175.17 178.11 1qh1 h LEU 517 N 4.49 1.03 -8.63 1.23 5.85 -2.00 -3.42 115.31 113.85 1qh1 h LEU 517 Ca -0.46 -0.07 -0.65 0.00 0.84 0.00 0.00 57.88 57.53 1qh1 h LEU 517 Cb 1.22 -0.26 -0.26 0.00 0.37 0.00 0.00 40.66 41.72 1qh1 h LEU 517 CO 0.71 0.81 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.18 1qh1 s VAL 518 N -5.82 3.14 0.00 1.05 1.01 -1.26 -5.28 120.40 113.24 1qh1 s VAL 518 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1qh1 s VAL 518 Cb 0.17 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1qh1 s VAL 518 CO 0.81 0.52 0.05 0.54 0.00 0.00 0.00 175.10 177.02