#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qql n PRO 27 N 0.00 0.16 -2.27 0.54 -0.01 -1.26 -4.90 135.00 127.26 2qql n PRO 27 Ca 0.00 0.06 -0.38 0.00 -0.01 0.00 0.00 63.50 63.17 2qql n PRO 27 Cb 0.00 -1.58 -0.02 0.00 -0.01 0.00 0.00 33.50 31.89 2qql n PRO 27 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2qql n GLY 29 N 0.57 0.33 0.00 0.00 0.00 -1.26 -4.54 105.19 100.29 2qql n GLY 29 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2qql n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qql n GLY 30 N 0.61 -0.81 3.15 -0.02 0.00 -1.05 -4.97 105.19 102.09 2qql n GLY 30 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 2qql n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qql s ARG 31 N -2.00 2.82 -0.09 1.61 0.52 -1.26 -0.76 118.95 119.79 2qql s ARG 31 Ca 0.00 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2qql s ARG 31 Cb 0.00 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 2qql s ARG 31 CO 0.00 -0.34 -0.09 -0.51 0.02 0.00 0.00 175.30 174.37 2qql s LEU 32 N 1.28 2.98 -0.49 2.53 1.43 0.58 -4.97 118.68 122.02 2qql s LEU 32 Ca 0.01 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2qql s LEU 32 Cb -0.16 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2qql s LEU 32 CO -0.08 0.29 0.64 0.21 0.23 0.00 0.00 176.35 177.64 2qql s ASN 33 N -0.37 6.25 0.00 2.29 3.84 -1.26 -1.28 114.94 124.41 2qql s ASN 33 Ca 0.05 -0.74 0.14 0.00 0.21 0.00 0.00 52.86 52.52 2qql s ASN 33 Cb -0.12 -2.30 0.85 0.00 -0.55 0.00 0.00 41.25 39.13 2qql s ASN 33 CO 0.02 -0.88 1.33 -0.24 -2.79 0.00 0.00 177.10 174.54 2qql n SER 34 N 6.26 0.00 -0.32 -4.21 2.88 0.95 -3.64 113.62 115.53 2qql n SER 34 Ca -0.05 -0.89 0.29 0.00 -1.33 0.00 0.00 58.87 56.89 2qql n SER 34 Cb 0.46 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.46 2qql n SER 34 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2qql h LYS 35 N 0.00 0.00 -5.15 -1.46 3.64 -1.93 -3.31 116.57 108.37 2qql h LYS 35 Ca 0.00 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 2qql h LYS 35 Cb 0.00 -0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.57 2qql h LYS 35 CO 0.00 0.00 -0.71 -0.51 -2.27 0.00 0.00 179.45 175.97 2qql s ASP 36 N -4.61 4.46 0.33 4.20 1.01 -1.24 -4.93 116.67 115.89 2qql s ASP 36 Ca -0.10 -0.28 -0.29 0.00 0.71 0.00 0.00 52.55 52.59 2qql s ASP 36 Cb 0.33 -1.74 -0.12 0.00 1.01 0.00 0.00 42.92 42.40 2qql s ASP 36 CO 0.78 0.07 1.36 0.00 0.21 0.00 0.00 175.17 177.60 2qql n ALA 37 N 4.16 1.57 -3.77 5.23 0.00 -1.24 -4.96 120.51 121.51 2qql n ALA 37 Ca -0.18 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 2qql n ALA 37 Cb 0.52 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 2qql n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qql n GLY 38 N 0.99 2.46 3.39 0.00 0.00 -0.80 -4.99 105.19 106.24 2qql n GLY 38 Ca 0.05 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2qql n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qql s TYR 39 N -3.44 2.21 -0.04 1.61 1.51 -1.26 -0.95 117.35 116.99 2qql s TYR 39 Ca 0.22 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2qql s TYR 39 Cb -0.01 -1.15 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2qql s TYR 39 CO 0.16 0.40 0.07 0.42 -1.11 0.00 0.00 175.55 175.48 2qql s ILE 40 N -1.41 -0.08 0.02 2.71 1.01 -0.34 -4.97 121.20 118.14 2qql s ILE 40 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2qql s ILE 40 Cb -0.09 -0.14 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2qql s ILE 40 CO 0.08 0.10 -0.04 0.42 0.00 0.00 0.00 174.94 175.50 2qql s THR 41 N 1.33 0.18 0.13 2.92 -4.23 -1.26 -0.89 115.64 113.82 2qql s THR 41 Ca -0.06 -0.95 -0.35 0.00 -1.18 0.00 0.00 61.69 59.15 2qql s THR 41 Cb -0.12 -0.33 -0.15 0.00 1.34 0.00 0.00 72.50 73.24 2qql s THR 41 CO -0.04 -0.49 1.51 -1.54 -0.54 0.00 0.00 174.62 173.52 2qql n SER 42 N 1.55 2.66 -0.13 3.99 3.41 -0.65 -4.80 113.62 119.65 2qql n SER 42 Ca -0.24 1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 59.44 2qql n SER 42 Cb 0.55 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.13 2qql n SER 42 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2qql n PRO 43 N 3.18 -0.12 -0.05 4.33 -0.02 -1.26 0.13 135.00 141.19 2qql n PRO 43 Ca 0.17 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2qql n PRO 43 Cb 0.26 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 2qql n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2qql h GLY 44 N 0.00 0.83 -0.75 -1.23 0.00 -1.82 -3.49 103.07 96.62 2qql h GLY 44 Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 2qql h GLY 44 CO -0.30 0.85 0.02 2.98 0.00 0.00 0.00 176.54 180.10 2qql n TYR 45 N -4.00 0.11 1.97 5.60 9.36 0.12 -3.15 117.16 127.17 2qql n TYR 45 Ca -0.04 0.13 0.14 0.00 3.32 0.00 0.00 57.90 61.46 2qql n TYR 45 Cb 0.61 -0.25 0.83 0.00 -0.63 0.00 0.00 39.34 39.89 2qql n TYR 45 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2qql n PRO 46 N 0.24 1.04 -2.02 2.98 -0.05 -1.26 -5.02 135.00 130.91 2qql n PRO 46 Ca 0.03 -0.06 -0.38 0.00 -0.05 0.00 0.00 63.50 63.04 2qql n PRO 46 Cb 0.01 -1.45 0.01 0.00 -0.05 0.00 0.00 33.50 32.02 2qql n PRO 46 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 175.50 174.31 2qql s GLN 47 N -2.00 3.60 0.37 0.54 2.00 -1.19 -4.61 119.66 118.38 2qql s GLN 47 Ca 0.43 2.06 -0.28 0.00 -2.00 0.00 0.00 55.36 55.57 2qql s GLN 47 Cb 0.20 -2.46 -0.11 0.00 0.80 0.00 0.00 33.01 31.43 2qql s GLN 47 CO 0.33 -0.76 1.38 -0.25 -0.50 0.00 0.00 175.29 175.49 2qql n ASP 48 N -0.49 3.22 -4.78 6.67 9.92 -1.26 -4.36 116.55 125.48 2qql n ASP 48 Ca 0.07 1.21 -0.37 0.00 -0.53 0.00 0.00 54.79 55.17 2qql n ASP 48 Cb 0.45 -1.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.34 2qql n ASP 48 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2qql s TYR 49 N -1.12 3.30 0.83 1.24 -0.85 -0.90 -4.62 117.35 115.24 2qql s TYR 49 Ca 0.55 1.65 -0.10 0.00 -0.52 0.00 0.00 57.07 58.65 2qql s TYR 49 Cb -0.52 -3.15 0.10 0.00 0.38 0.00 0.00 41.96 38.76 2qql s TYR 49 CO 0.62 -0.63 1.12 -1.25 -1.52 0.00 0.00 175.55 173.89 2qql s PRO 50 N -2.36 1.72 0.84 -3.49 0.04 -1.26 -4.64 135.00 125.85 2qql s PRO 50 Ca 0.56 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 2qql s PRO 50 Cb -0.23 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2qql s PRO 50 CO 0.30 -2.07 1.12 -1.54 0.04 0.00 0.00 177.00 174.84 2qql s SER 51 N -3.08 4.13 -1.11 6.66 1.04 -1.26 -4.54 113.70 115.54 2qql s SER 51 Ca 0.64 1.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 2qql s SER 51 Cb -0.20 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 2qql s SER 51 CO 0.57 -2.18 0.85 1.57 0.98 0.00 0.00 173.24 175.04 2qql n HIS 52 N -3.54 -2.18 -4.79 5.02 -0.00 -1.02 -4.96 115.22 103.76 2qql n HIS 52 Ca 0.07 0.68 -0.25 0.00 -0.00 0.00 0.00 57.72 58.22 2qql n HIS 52 Cb 0.58 -3.87 -0.16 0.00 -0.00 0.00 0.00 29.99 26.54 2qql n HIS 52 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 2qql s GLN 53 N -5.21 1.68 -0.42 1.57 2.00 -1.06 -4.95 119.66 113.28 2qql s GLN 53 Ca 0.43 -0.58 0.09 0.00 -2.00 0.00 0.00 55.36 53.30 2qql s GLN 53 Cb -0.10 -1.47 0.28 0.00 0.80 0.00 0.00 33.01 32.51 2qql s GLN 53 CO 0.80 0.23 0.62 0.09 -0.50 0.00 0.00 175.29 176.53 2qql n ASN 54 N 3.14 0.89 -4.70 6.67 5.03 -1.26 -2.00 115.26 123.03 2qql n ASN 54 Ca -0.18 -2.90 -0.42 0.00 0.87 0.00 0.00 54.58 51.95 2qql n ASN 54 Cb 0.53 -0.63 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 2qql n ASN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qql s GLU 56 N 1.38 1.25 0.22 0.00 -1.05 -1.26 -0.65 118.70 118.59 2qql s GLU 56 Ca 0.51 -0.39 0.11 0.00 -0.15 0.00 0.00 54.97 55.06 2qql s GLU 56 Cb -0.20 -1.12 -0.05 0.00 -0.44 0.00 0.00 34.13 32.32 2qql s GLU 56 CO 0.24 0.13 -0.22 -1.58 0.95 0.00 0.00 175.26 174.78 2qql s TRP 57 N 0.24 2.26 -0.12 4.83 0.51 0.31 -2.54 118.94 124.44 2qql s TRP 57 Ca -0.05 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.58 2qql s TRP 57 Cb -0.10 -1.07 0.02 0.00 -0.81 0.00 0.00 33.47 31.51 2qql s TRP 57 CO 0.01 0.57 -0.12 0.42 -0.51 0.00 0.00 176.95 177.32 2qql s ILE 58 N -2.01 1.32 -0.28 2.03 1.01 0.07 -1.82 121.20 121.51 2qql s ILE 58 Ca 0.24 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2qql s ILE 58 Cb -0.07 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 2qql s ILE 58 CO 0.11 0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.86 2qql s VAL 59 N 1.37 4.14 0.03 2.92 1.01 -0.40 -0.31 120.40 129.16 2qql s VAL 59 Ca 0.01 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2qql s VAL 59 Cb -0.13 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2qql s VAL 59 CO -0.06 0.19 -0.20 -0.72 0.00 0.00 0.00 175.10 174.30 2qql s TYR 60 N 1.55 1.77 0.24 5.22 1.13 -0.40 -0.66 117.35 126.21 2qql s TYR 60 Ca 0.04 -0.36 -0.18 0.00 -1.41 0.00 0.00 57.07 55.16 2qql s TYR 60 Cb -0.16 -1.08 -0.08 0.00 -1.10 0.00 0.00 41.96 39.53 2qql s TYR 60 CO 0.03 0.06 0.72 0.00 -2.51 0.00 0.00 175.55 173.84 2qql s ALA 61 N -0.71 3.40 -1.88 9.51 0.00 0.72 -0.03 121.76 132.77 2qql s ALA 61 Ca 0.07 0.12 0.26 0.00 0.00 0.00 0.00 51.96 52.41 2qql s ALA 61 Cb -0.08 -2.79 1.50 0.00 0.00 0.00 0.00 23.12 21.74 2qql s ALA 61 CO 0.01 0.34 1.90 -0.35 0.00 0.00 0.00 175.76 177.65 2qql n PRO 62 N 0.45 0.72 -4.28 0.00 -0.04 -1.26 -4.74 135.00 125.85 2qql n PRO 62 Ca -0.01 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2qql n PRO 62 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2qql n PRO 62 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qql s GLU 63 N -2.12 0.63 0.11 0.54 8.01 -1.26 -5.06 118.70 119.54 2qql s GLU 63 Ca 0.36 -0.33 -0.15 0.00 0.01 0.00 0.00 54.97 54.85 2qql s GLU 63 Cb 0.18 -0.59 -0.05 0.00 -4.31 0.00 0.00 34.13 29.36 2qql s GLU 63 CO 0.32 0.16 1.51 -1.00 0.01 0.00 0.00 175.26 176.26 2qql h PRO 64 N 5.79 0.68 0.00 0.39 0.13 -1.85 -1.56 132.00 135.58 2qql h PRO 64 Ca -0.30 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2qql h PRO 64 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2qql h PRO 64 CO 0.49 0.84 0.00 -1.71 -0.23 0.00 0.00 178.00 177.39 2qql n ASN 65 N -4.41 0.00 -4.89 1.44 4.05 -1.25 -4.57 115.26 105.63 2qql n ASN 65 Ca -0.02 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.72 2qql n ASN 65 Cb 0.34 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.34 2qql n ASN 65 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2qql s GLN 66 N -1.64 3.61 0.31 1.20 -0.21 -0.59 -4.73 119.66 117.62 2qql s GLN 66 Ca 0.00 0.36 0.10 0.00 0.02 0.00 0.00 55.36 55.84 2qql s GLN 66 Cb 0.00 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 2qql s GLN 66 CO 0.00 -0.22 -0.05 0.15 -2.12 0.00 0.00 175.29 173.05 2qql s LYS 67 N -4.58 2.01 -0.08 2.91 3.01 -0.48 -3.89 119.74 118.64 2qql s LYS 67 Ca 0.50 -1.69 -0.09 0.00 -1.01 0.00 0.00 55.97 53.68 2qql s LYS 67 Cb -0.10 -1.93 -0.04 0.00 -1.01 0.00 0.00 37.83 34.75 2qql s LYS 67 CO 0.43 0.24 0.21 0.42 0.51 0.00 0.00 175.35 177.16 2qql s ILE 68 N -2.48 5.38 -0.03 2.17 1.09 -1.26 0.85 121.20 126.92 2qql s ILE 68 Ca 0.33 0.35 0.06 0.00 -1.10 0.00 0.00 60.65 60.29 2qql s ILE 68 Cb -0.03 -3.49 -0.01 0.00 -1.06 0.00 0.00 42.46 37.87 2qql s ILE 68 CO 0.18 0.59 -0.22 0.54 -0.10 0.00 0.00 174.94 175.93 2qql s VAL 69 N -1.06 1.80 -0.09 2.92 0.11 -0.33 -0.01 120.40 123.75 2qql s VAL 69 Ca 0.18 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 2qql s VAL 69 Cb -0.13 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2qql s VAL 69 CO 0.07 0.51 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.43 2qql s LEU 70 N -0.36 2.57 -0.09 2.54 1.43 -0.30 -2.08 118.68 122.40 2qql s LEU 70 Ca 0.04 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2qql s LEU 70 Cb -0.10 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2qql s LEU 70 CO 0.01 0.24 -0.15 0.20 0.23 0.00 0.00 176.35 176.88 2qql s ASN 71 N -0.13 2.24 0.36 2.29 -0.87 -0.37 -2.62 114.94 115.85 2qql s ASN 71 Ca -0.02 -0.39 -0.16 0.00 -1.57 0.00 0.00 52.86 50.72 2qql s ASN 71 Cb -0.14 -1.02 -0.09 0.00 -0.02 0.00 0.00 41.25 39.98 2qql s ASN 71 CO 0.04 0.05 0.80 -0.36 -2.57 0.00 0.00 177.10 175.05 2qql s PHE 72 N 0.73 3.37 0.16 2.20 0.40 -1.26 -1.37 117.98 122.21 2qql s PHE 72 Ca -0.12 1.31 -0.30 0.00 -0.60 0.00 0.00 56.93 57.22 2qql s PHE 72 Cb -0.16 -2.61 -0.07 0.00 0.51 0.00 0.00 43.02 40.69 2qql s PHE 72 CO 0.03 0.01 1.01 1.21 0.70 0.00 0.00 175.22 178.17 2qql s ASN 73 N -2.35 7.45 0.55 1.36 3.84 0.60 -4.95 114.94 121.43 2qql s ASN 73 Ca 0.56 1.94 0.23 0.00 0.21 0.00 0.00 52.86 55.80 2qql s ASN 73 Cb -0.10 -2.60 1.52 0.00 -0.55 0.00 0.00 41.25 39.52 2qql s ASN 73 CO 0.18 -0.07 2.18 -0.65 -2.79 0.00 0.00 177.10 175.95 2qql h PRO 74 N 5.08 0.00 -6.03 0.43 0.11 -1.97 -3.34 132.00 126.28 2qql h PRO 74 Ca -0.44 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.16 2qql h PRO 74 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2qql h PRO 74 CO 0.71 0.02 1.27 -1.01 -0.21 0.00 0.00 178.00 178.78 2qql s HIS 75 N -4.77 2.30 -0.12 0.65 3.76 -1.26 -4.60 115.29 111.26 2qql s HIS 75 Ca -0.05 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 2qql s HIS 75 Cb 0.16 -4.51 0.03 0.00 1.11 0.00 0.00 32.58 29.37 2qql s HIS 75 CO 0.61 -1.91 -0.02 0.12 -0.85 0.00 0.00 174.74 172.69 2qql s PHE 76 N 6.44 1.10 -0.05 1.40 5.36 -1.25 -4.60 117.98 126.37 2qql s PHE 76 Ca 0.52 -0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2qql s PHE 76 Cb -0.03 -1.03 0.03 0.00 -0.34 0.00 0.00 43.02 41.65 2qql s PHE 76 CO -0.05 -0.47 0.03 -2.00 -1.46 0.00 0.00 175.22 171.27 2qql s GLU 77 N 1.83 0.21 0.04 10.12 2.12 0.13 -4.11 118.70 129.05 2qql s GLU 77 Ca 0.03 0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.57 2qql s GLU 77 Cb -0.14 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.57 2qql s GLU 77 CO -0.07 -0.30 0.06 0.42 -0.54 0.00 0.00 175.26 174.83 2qql s ILE 78 N 1.95 0.16 0.38 -3.70 1.01 -0.10 0.14 121.20 121.03 2qql s ILE 78 Ca 0.03 -1.28 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 2qql s ILE 78 Cb -0.12 -1.05 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 2qql s ILE 78 CO -0.04 -0.71 1.38 -1.61 0.00 0.00 0.00 174.94 173.97 2qql s GLU 79 N -2.99 4.10 0.00 2.79 0.41 -1.26 -2.47 118.70 119.28 2qql s GLU 79 Ca -0.02 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.90 2qql s GLU 79 Cb 0.01 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 2qql s GLU 79 CO -0.06 -0.45 0.00 1.63 -0.49 0.00 0.00 175.26 175.88 2qql n LYS 80 N 0.41 0.00 0.00 1.61 5.02 -1.26 -3.92 118.16 120.02 2qql n LYS 80 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2qql n LYS 80 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2qql n LYS 80 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qql n HIS 81 N 0.00 0.00 -2.20 2.13 8.25 -1.26 -2.53 115.22 119.61 2qql n HIS 81 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 2qql n HIS 81 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2qql n HIS 81 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qql n ASP 82 N 7.23 4.22 -1.82 0.41 8.00 -1.26 -4.90 116.55 128.43 2qql n ASP 82 Ca 0.00 -3.39 -0.16 0.00 0.71 0.00 0.00 54.79 51.95 2qql n ASP 82 Cb 0.00 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2qql n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qql h LYS 84 N 0.00 1.09 0.00 0.00 3.64 -1.91 -3.40 116.57 115.98 2qql h LYS 84 Ca -0.36 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2qql h LYS 84 Cb 1.15 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2qql h LYS 84 CO 0.48 0.84 -0.43 0.66 -2.27 0.00 0.00 179.45 178.73 2qql n TYR 85 N -4.32 0.00 -4.85 1.91 4.02 -1.26 -5.01 117.16 107.65 2qql n TYR 85 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.63 2qql n TYR 85 Cb 0.14 -0.22 -0.13 0.00 -0.02 0.00 0.00 39.34 39.12 2qql n TYR 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2qql s ASP 86 N -5.05 4.10 0.03 7.72 1.01 -1.26 -4.17 116.67 119.06 2qql s ASP 86 Ca -0.13 -0.18 -0.28 0.00 0.71 0.00 0.00 52.55 52.67 2qql s ASP 86 Cb 0.02 -0.92 0.09 0.00 1.01 0.00 0.00 42.92 43.12 2qql s ASP 86 CO 0.19 0.34 0.94 0.72 0.21 0.00 0.00 175.17 177.56 2qql s PHE 87 N -0.69 -0.26 -0.07 4.23 -0.12 -0.88 -4.53 117.98 115.66 2qql s PHE 87 Ca 0.10 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.09 2qql s PHE 87 Cb -0.11 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 2qql s PHE 87 CO 0.01 -0.60 -0.12 -1.50 -0.05 0.00 0.00 175.22 172.95 2qql s ILE 88 N -3.11 3.19 -0.11 -4.49 2.07 0.12 -1.38 121.20 117.50 2qql s ILE 88 Ca 0.08 -0.66 -0.00 0.00 -1.41 0.00 0.00 60.65 58.66 2qql s ILE 88 Cb -0.01 -2.28 0.02 0.00 0.13 0.00 0.00 42.46 40.32 2qql s ILE 88 CO -0.05 0.58 -0.08 -1.61 -1.91 0.00 0.00 174.94 171.86 2qql s GLU 89 N -0.49 1.57 -0.21 3.50 2.02 0.35 -0.54 118.70 124.90 2qql s GLU 89 Ca 0.07 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 2qql s GLU 89 Cb -0.12 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 2qql s GLU 89 CO 0.02 -0.23 0.01 0.42 0.02 0.00 0.00 175.26 175.50 2qql s ILE 90 N 1.58 4.03 0.13 -1.63 1.09 -0.54 -0.67 121.20 125.19 2qql s ILE 90 Ca 0.03 -0.28 0.10 0.00 -1.10 0.00 0.00 60.65 59.39 2qql s ILE 90 Cb -0.13 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 2qql s ILE 90 CO -0.07 0.41 -0.20 -0.13 -0.10 0.00 0.00 174.94 174.86 2qql s ARG 91 N 1.10 1.70 -0.89 2.79 0.52 0.70 -1.30 118.95 123.57 2qql s ARG 91 Ca 0.03 -1.26 -0.17 0.00 -0.52 0.00 0.00 55.73 53.81 2qql s ARG 91 Cb -0.14 -2.04 0.17 0.00 0.52 0.00 0.00 34.95 33.45 2qql s ARG 91 CO 0.02 0.46 0.98 0.34 0.02 0.00 0.00 175.30 177.12 2qql s ASP 92 N -2.25 6.69 0.00 0.23 -1.08 0.11 -2.26 116.67 118.11 2qql s ASP 92 Ca 0.18 -2.32 0.00 0.00 -0.52 0.00 0.00 52.55 49.89 2qql s ASP 92 Cb -0.10 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2qql s ASP 92 CO 0.10 -0.86 0.00 0.61 0.52 0.00 0.00 175.17 175.54 2qql n GLY 93 N 4.85 0.08 0.00 2.66 0.00 -1.19 -4.14 105.19 107.45 2qql n GLY 93 Ca 0.20 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2qql n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qql n ASP 94 N 0.00 0.00 0.00 1.61 2.03 -1.26 -2.49 116.55 116.44 2qql n ASP 94 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qql n ASP 94 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qql n ASP 94 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2qql n SER 95 N 0.00 0.00 0.07 1.67 3.41 -1.26 -4.51 113.62 113.00 2qql n SER 95 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2qql n SER 95 Cb 0.00 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 2qql n SER 95 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qql n GLU 96 N -1.12 0.15 -0.71 4.33 1.02 -1.26 -2.89 120.64 120.17 2qql n GLU 96 Ca 0.00 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.44 2qql n GLU 96 Cb 0.00 -1.71 0.37 0.00 -0.02 0.00 0.00 31.44 30.08 2qql n GLU 96 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qql n SER 97 N -1.98 5.06 -4.87 1.62 3.41 -1.26 -4.89 113.62 110.71 2qql n SER 97 Ca 0.05 -2.67 -0.31 0.00 -0.26 0.00 0.00 58.87 55.68 2qql n SER 97 Cb 0.33 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2qql n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qql s ALA 98 N -2.25 3.12 0.50 7.33 0.00 -1.14 -5.03 121.76 124.29 2qql s ALA 98 Ca 0.51 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 2qql s ALA 98 Cb 0.36 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 2qql s ALA 98 CO 0.20 -0.57 1.23 -0.51 0.00 0.00 0.00 175.76 176.11 2qql s ASP 99 N -3.95 5.78 -0.57 0.00 1.01 -1.26 -4.56 116.67 113.13 2qql s ASP 99 Ca 0.55 2.45 -0.28 0.00 0.71 0.00 0.00 52.55 55.99 2qql s ASP 99 Cb -0.11 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.24 2qql s ASP 99 CO 0.49 -1.19 1.15 -0.22 0.21 0.00 0.00 175.17 175.60 2qql s LEU 100 N -3.30 3.57 0.40 1.23 2.96 -1.26 0.08 118.68 122.36 2qql s LEU 100 Ca 0.68 0.06 0.22 0.00 -0.22 0.00 0.00 54.13 54.86 2qql s LEU 100 Cb -0.32 -3.14 0.70 0.00 0.50 0.00 0.00 46.19 43.93 2qql s LEU 100 CO 0.38 -1.42 1.73 -0.07 -1.32 0.00 0.00 176.35 175.65 2qql h LEU 101 N 11.71 0.00 0.00 -0.68 3.38 -1.52 -3.48 115.31 124.72 2qql h LEU 101 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qql h LEU 101 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2qql h LEU 101 CO 1.17 0.28 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2qql n GLY 102 N 0.42 1.11 2.92 0.83 0.00 -1.02 -4.97 105.19 104.46 2qql n GLY 102 Ca 0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2qql n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qql s LYS 103 N -1.57 1.61 0.10 1.61 2.20 -1.26 -1.46 119.74 120.97 2qql s LYS 103 Ca 0.00 -0.61 0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2qql s LYS 103 Cb 0.00 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 2qql s LYS 103 CO 0.00 -0.43 -0.18 -1.01 -0.36 0.00 0.00 175.35 173.37 2qql s HIS 104 N 1.57 1.63 -0.01 4.03 3.76 0.30 -4.94 115.29 121.62 2qql s HIS 104 Ca 0.00 -0.45 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 2qql s HIS 104 Cb -0.15 -0.88 0.08 0.00 1.11 0.00 0.00 32.58 32.74 2qql s HIS 104 CO -0.08 0.18 0.73 0.00 -0.85 0.00 0.00 174.74 174.73 2qql n GLY 106 N 0.40 0.13 0.90 0.00 0.00 -1.03 -4.73 105.19 100.86 2qql n GLY 106 Ca -0.16 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.89 2qql n GLY 106 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qql n ASN 107 N 0.00 3.67 -4.21 1.61 5.03 -1.26 -0.92 115.26 119.18 2qql n ASN 107 Ca 0.00 -2.55 -0.35 0.00 0.87 0.00 0.00 54.58 52.55 2qql n ASN 107 Cb 0.00 -0.43 -0.14 0.00 -1.02 0.00 0.00 39.78 38.19 2qql n ASN 107 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qql s ILE 108 N -2.00 3.09 0.60 2.41 1.01 -1.26 -4.59 121.20 120.46 2qql s ILE 108 Ca 0.36 -1.14 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 2qql s ILE 108 Cb 0.26 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2qql s ILE 108 CO 0.14 0.04 1.25 0.00 0.00 0.00 0.00 174.94 176.36 2qql s ALA 109 N 1.32 2.55 0.72 9.38 0.00 -1.26 -4.81 121.76 129.65 2qql s ALA 109 Ca -0.02 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 2qql s ALA 109 Cb -0.18 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.47 2qql s ALA 109 CO -0.02 -1.28 1.07 -2.14 0.00 0.00 0.00 175.76 173.39 2qql s PRO 110 N -3.27 2.70 0.71 0.00 0.02 -1.26 -5.05 135.00 128.86 2qql s PRO 110 Ca 0.78 1.07 -0.07 0.00 0.02 0.00 0.00 61.00 62.79 2qql s PRO 110 Cb -0.33 -1.96 0.06 0.00 0.02 0.00 0.00 34.50 32.29 2qql s PRO 110 CO 0.36 -1.29 1.03 -1.25 -0.33 0.00 0.00 177.00 175.53 2qql s PRO 111 N -4.88 2.25 0.15 5.54 0.04 -1.26 -4.46 135.00 132.37 2qql s PRO 111 Ca 0.60 -0.16 -0.34 0.00 0.04 0.00 0.00 61.00 61.13 2qql s PRO 111 Cb -0.16 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 32.09 2qql s PRO 111 CO 0.53 -1.24 1.48 2.41 0.04 0.00 0.00 177.00 180.23 2qql n THR 112 N -2.95 0.11 -3.84 1.26 -1.04 -1.26 -4.90 114.28 101.66 2qql n THR 112 Ca 0.08 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.70 2qql n THR 112 Cb 0.60 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.68 2qql n THR 112 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2qql s ILE 113 N 0.66 3.65 -0.13 12.58 1.01 -1.08 -4.99 121.20 132.90 2qql s ILE 113 Ca 0.79 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2qql s ILE 113 Cb -0.76 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2qql s ILE 113 CO 0.42 0.23 0.06 -0.63 0.00 0.00 0.00 174.94 175.02 2qql s ILE 114 N 1.48 4.84 0.92 2.92 1.01 -1.26 -1.15 121.20 129.95 2qql s ILE 114 Ca 0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 2qql s ILE 114 Cb -0.16 -3.12 0.14 0.00 0.01 0.00 0.00 42.46 39.34 2qql s ILE 114 CO -0.00 0.55 1.11 -0.94 0.00 0.00 0.00 174.94 175.66 2qql s SER 115 N -0.43 3.37 -0.02 3.58 1.04 0.99 -4.99 113.70 117.24 2qql s SER 115 Ca 0.10 1.15 0.16 0.00 0.48 0.00 0.00 55.95 57.83 2qql s SER 115 Cb -0.12 -1.79 -0.24 0.00 0.10 0.00 0.00 66.02 63.97 2qql s SER 115 CO 0.02 -2.66 0.37 -1.54 0.98 0.00 0.00 173.24 170.41 2qql n SER 116 N -3.86 1.34 0.00 7.02 3.41 -1.26 -4.74 113.62 115.53 2qql n SER 116 Ca 0.06 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2qql n SER 116 Cb 0.58 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 2qql n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qql n GLY 117 N 1.58 3.54 1.34 5.00 0.00 -1.26 -5.01 105.19 110.38 2qql n GLY 117 Ca -0.02 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.24 2qql n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qql n SER 118 N 0.00 4.02 -3.79 1.61 3.41 -1.25 -4.18 113.62 113.44 2qql n SER 118 Ca 0.00 -2.08 -0.13 0.00 -0.26 0.00 0.00 58.87 56.40 2qql n SER 118 Cb 0.00 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 2qql n SER 118 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qql s MET 119 N -1.16 0.59 0.07 4.33 -1.94 -1.26 -0.20 119.30 119.73 2qql s MET 119 Ca 0.47 -0.18 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 2qql s MET 119 Cb 0.26 0.26 -0.03 0.00 2.01 0.00 0.00 34.83 37.32 2qql s MET 119 CO 0.30 -0.15 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.59 2qql s LEU 120 N -1.18 2.40 -0.09 -0.03 1.43 0.17 -3.16 118.68 118.22 2qql s LEU 120 Ca -0.12 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2qql s LEU 120 Cb -0.05 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.10 2qql s LEU 120 CO 0.03 -0.37 -0.11 -0.47 0.23 0.00 0.00 176.35 175.66 2qql s TYR 121 N -2.72 1.58 -0.05 0.29 5.04 -0.96 -1.27 117.35 119.25 2qql s TYR 121 Ca 0.02 -0.70 0.06 0.00 -2.44 0.00 0.00 57.07 54.01 2qql s TYR 121 Cb -0.01 -1.21 -0.02 0.00 0.35 0.00 0.00 41.96 41.08 2qql s TYR 121 CO -0.03 -0.41 -0.22 0.42 -1.34 0.00 0.00 175.55 173.96 2qql s ILE 122 N 1.13 2.32 -0.03 3.14 1.01 -0.76 -0.22 121.20 127.80 2qql s ILE 122 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.62 2qql s ILE 122 Cb -0.14 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.49 2qql s ILE 122 CO -0.02 0.57 -0.02 -0.75 0.00 0.00 0.00 174.94 174.72 2qql s LYS 123 N -0.35 0.47 -0.13 2.79 2.20 0.15 -0.53 119.74 124.34 2qql s LYS 123 Ca 0.02 -0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2qql s LYS 123 Cb -0.12 -0.57 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2qql s LYS 123 CO 0.02 -0.09 -0.09 0.12 -0.36 0.00 0.00 175.35 174.95 2qql s PHE 124 N 0.87 2.91 -0.04 4.03 5.36 0.18 -0.49 117.98 130.79 2qql s PHE 124 Ca -0.10 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.55 2qql s PHE 124 Cb -0.13 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.69 2qql s PHE 124 CO -0.01 -0.04 -0.20 0.99 -1.46 0.00 0.00 175.22 174.50 2qql s THR 125 N 0.12 1.67 -0.06 0.12 2.01 -0.48 -2.58 115.64 116.44 2qql s THR 125 Ca -0.04 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2qql s THR 125 Cb -0.14 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.97 2qql s THR 125 CO 0.04 0.47 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.81 2qql s SER 126 N -0.14 1.37 0.71 3.53 0.15 -0.85 -2.06 113.70 116.40 2qql s SER 126 Ca -0.01 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 2qql s SER 126 Cb -0.11 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 2qql s SER 126 CO 0.02 -0.02 1.08 1.51 1.20 0.00 0.00 173.24 177.03 2qql s ASP 127 N 0.88 5.42 -1.44 5.45 -4.77 -1.26 -2.43 116.67 118.53 2qql s ASP 127 Ca -0.11 1.24 -0.12 0.00 -3.30 0.00 0.00 52.55 50.26 2qql s ASP 127 Cb -0.15 -2.08 0.05 0.00 -1.09 0.00 0.00 42.92 39.65 2qql s ASP 127 CO 0.01 -1.37 2.27 0.00 0.70 0.00 0.00 175.17 176.78 2qql n TYR 128 N -3.04 3.21 0.00 2.11 -0.00 -1.26 -2.46 117.16 115.72 2qql n TYR 128 Ca 0.07 -2.95 0.00 0.00 -0.00 0.00 0.00 57.90 55.02 2qql n TYR 128 Cb 0.56 -2.39 0.00 0.00 -0.00 0.00 0.00 39.34 37.51 2qql n TYR 128 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2qql n ALA 129 N 5.06 0.00 -1.45 2.98 0.00 -1.26 -5.02 120.51 120.82 2qql n ALA 129 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2qql n ALA 129 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2qql n ALA 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qql n ARG 130 N 0.00 -3.06 -0.81 0.00 1.74 -1.26 -5.05 116.66 108.22 2qql n ARG 130 Ca 0.00 2.30 0.00 0.00 -0.77 0.00 0.00 57.85 59.38 2qql n ARG 130 Cb 0.00 -2.85 0.00 0.00 -1.02 0.00 0.00 32.46 28.59 2qql n ARG 130 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qql n GLN 131 N -1.33 0.00 -3.24 5.56 3.00 -1.26 -4.85 117.38 115.26 2qql n GLN 131 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2qql n GLN 131 Cb 0.09 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.35 2qql n GLN 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qql n GLY 132 N 0.00 0.98 0.22 1.08 0.00 -1.26 -4.86 105.19 101.35 2qql n GLY 132 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.85 2qql n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qql h ALA 133 N 2.00 0.73 0.00 4.61 0.00 -1.80 -2.39 119.26 122.41 2qql h ALA 133 Ca -0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qql h ALA 133 Cb 0.95 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qql h ALA 133 CO 0.31 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2qql n GLY 134 N -1.28 0.45 3.29 0.00 0.00 0.12 -4.21 105.19 103.57 2qql n GLY 134 Ca 0.07 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 2qql n GLY 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qql s PHE 135 N 0.00 -0.23 -0.03 1.61 -0.12 -1.26 -0.69 117.98 117.27 2qql s PHE 135 Ca 0.00 0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 2qql s PHE 135 Cb 0.00 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2qql s PHE 135 CO 0.00 -0.50 -0.06 0.45 -0.05 0.00 0.00 175.22 175.06 2qql s SER 136 N -1.75 0.89 0.22 1.98 0.15 -1.26 -1.63 113.70 112.30 2qql s SER 136 Ca -0.08 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.50 2qql s SER 136 Cb -0.02 -0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 2qql s SER 136 CO 0.00 0.01 -0.08 -1.48 1.20 0.00 0.00 173.24 172.89 2qql s LEU 137 N 0.44 2.46 -0.08 3.45 -0.00 -0.07 -0.29 118.68 124.58 2qql s LEU 137 Ca -0.06 -1.11 0.04 0.00 -0.00 0.00 0.00 54.13 53.00 2qql s LEU 137 Cb -0.10 -0.54 -0.01 0.00 -0.00 0.00 0.00 46.19 45.54 2qql s LEU 137 CO 0.00 -0.31 -0.20 -0.60 -0.00 0.00 0.00 176.35 175.24 2qql s ARG 138 N -3.73 2.84 0.06 1.48 3.52 -0.47 -1.20 118.95 121.45 2qql s ARG 138 Ca 0.25 -0.81 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 2qql s ARG 138 Cb 0.02 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 2qql s ARG 138 CO 0.08 0.35 -0.03 1.52 -0.81 0.00 0.00 175.30 176.40 2qql s TYR 139 N -0.05 2.93 0.11 5.12 -0.85 -0.13 -1.23 117.35 123.25 2qql s TYR 139 Ca -0.05 -0.04 -0.25 0.00 -0.52 0.00 0.00 57.07 56.20 2qql s TYR 139 Cb -0.14 -1.55 0.07 0.00 0.38 0.00 0.00 41.96 40.72 2qql s TYR 139 CO 0.05 0.45 0.80 -1.83 -1.52 0.00 0.00 175.55 173.49 2qql s GLU 140 N -2.02 1.15 0.12 -3.49 -1.05 -0.88 -1.91 118.70 110.62 2qql s GLU 140 Ca 0.22 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.23 2qql s GLU 140 Cb -0.11 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 2qql s GLU 140 CO 0.14 -0.51 1.24 0.96 0.95 0.00 0.00 175.26 178.04 2qql s ILE 141 N -3.43 3.69 -0.22 1.83 -5.25 -1.26 -1.18 121.20 115.37 2qql s ILE 141 Ca 0.06 1.29 -0.09 0.00 -0.99 0.00 0.00 60.65 60.91 2qql s ILE 141 Cb -0.02 -3.82 -0.05 0.00 2.95 0.00 0.00 42.46 41.52 2qql s ILE 141 CO -0.06 0.14 0.12 0.12 -1.79 0.00 0.00 174.94 173.47 2qql s PHE 142 N 0.64 3.29 -0.22 1.37 5.36 0.25 -4.81 117.98 123.85 2qql s PHE 142 Ca 0.58 0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 56.57 2qql s PHE 142 Cb -0.32 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.11 2qql s PHE 142 CO 0.32 0.08 0.18 0.21 -1.46 0.00 0.00 175.22 174.55 2qql s LYS 143 N 0.84 4.14 -0.19 10.12 2.20 -1.26 -1.38 119.74 134.21 2qql s LYS 143 Ca 0.06 -0.19 0.17 0.00 -0.36 0.00 0.00 55.97 55.65 2qql s LYS 143 Cb -0.13 -3.49 -0.23 0.00 -1.51 0.00 0.00 37.83 32.47 2qql s LYS 143 CO 0.02 0.16 0.06 -2.37 -0.36 0.00 0.00 175.35 172.87 2qql n THR 144 N 3.95 1.29 0.00 3.43 5.66 -1.26 -5.01 114.28 122.34 2qql n THR 144 Ca -0.15 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 2qql n THR 144 Cb 0.52 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 2qql n THR 144 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qql n GLY 145 N 1.84 0.91 3.44 1.09 0.00 -1.26 -5.11 105.19 106.10 2qql n GLY 145 Ca -0.31 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 2qql n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qql n SER 146 N 0.00 -1.42 -4.70 1.61 2.88 -1.26 -4.79 113.62 105.94 2qql n SER 146 Ca 0.00 0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 57.90 2qql n SER 146 Cb 0.00 -1.14 -0.09 0.00 -0.75 0.00 0.00 64.21 62.23 2qql n SER 146 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2qql s GLU 147 N -2.07 2.96 -0.61 -1.46 2.02 -0.81 -4.96 118.70 113.77 2qql s GLU 147 Ca 0.67 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 2qql s GLU 147 Cb -0.43 -2.79 0.09 0.00 0.10 0.00 0.00 34.13 31.10 2qql s GLU 147 CO 0.56 0.68 0.80 0.34 0.02 0.00 0.00 175.26 177.66 2qql s ASP 148 N -1.13 6.18 -0.25 -0.19 -1.08 -1.26 -2.77 116.67 116.17 2qql s ASP 148 Ca 0.16 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.03 2qql s ASP 148 Cb -0.11 -2.34 0.70 0.00 -1.46 0.00 0.00 42.92 39.70 2qql s ASP 148 CO 0.05 -1.23 1.65 0.00 0.52 0.00 0.00 175.17 176.16 2qql n SER 150 N 0.25 2.29 -3.91 0.00 7.64 -1.26 -4.87 113.62 113.76 2qql n SER 150 Ca 0.30 1.07 -0.11 0.00 1.01 0.00 0.00 58.87 61.15 2qql n SER 150 Cb 1.18 -1.48 -0.12 0.00 -1.01 0.00 0.00 64.21 62.78 2qql n SER 150 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qql s LYS 151 N -2.26 0.21 0.02 1.43 1.02 -0.75 -4.95 119.74 114.46 2qql s LYS 151 Ca 0.63 -0.29 -0.04 0.00 0.02 0.00 0.00 55.97 56.29 2qql s LYS 151 Cb -0.50 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 2qql s LYS 151 CO 0.57 -0.04 0.23 -0.80 -0.92 0.00 0.00 175.35 174.39 2qql s ASN 152 N -0.79 6.42 -0.18 2.83 0.01 -1.26 -2.90 114.94 119.07 2qql s ASN 152 Ca -0.09 0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 2qql s ASN 152 Cb -0.05 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.59 2qql s ASN 152 CO -0.00 0.23 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.28 2qql s PHE 153 N -1.36 2.80 -0.10 2.20 0.08 -0.36 -4.96 117.98 116.29 2qql s PHE 153 Ca 0.29 -1.54 0.05 0.00 0.12 0.00 0.00 56.93 55.85 2qql s PHE 153 Cb -0.13 -1.94 -0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2qql s PHE 153 CO 0.19 -0.77 -0.02 2.41 -0.10 0.00 0.00 175.22 176.93 2qql n THR 154 N 4.62 0.61 -1.40 0.64 -1.04 -1.26 -1.87 114.28 114.58 2qql n THR 154 Ca -0.21 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.05 61.17 2qql n THR 154 Cb 0.50 -0.82 0.07 0.00 -1.82 0.00 0.00 70.33 68.27 2qql n THR 154 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2qql s SER 155 N -4.46 4.82 0.24 8.00 0.15 -1.26 -4.94 113.70 116.25 2qql s SER 155 Ca -0.08 1.78 -0.06 0.00 0.70 0.00 0.00 55.95 58.28 2qql s SER 155 Cb 0.03 -2.52 0.31 0.00 -1.71 0.00 0.00 66.02 62.13 2qql s SER 155 CO 0.32 -1.82 1.85 -0.65 1.20 0.00 0.00 173.24 174.14 2qql h PRO 156 N -0.90 0.93 -3.55 5.44 0.11 -1.96 -3.44 132.00 128.63 2qql h PRO 156 Ca -0.44 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2qql h PRO 156 Cb 1.23 -0.21 -0.22 0.00 0.11 0.00 0.00 31.00 31.91 2qql h PRO 156 CO 0.53 0.62 -0.53 0.54 -0.21 0.00 0.00 178.00 178.95 2qql s ASN 157 N -5.77 0.02 -0.06 -2.05 4.22 -1.26 -0.93 114.94 109.11 2qql s ASN 157 Ca -0.13 -0.16 -0.31 0.00 -2.14 0.00 0.00 52.86 50.13 2qql s ASN 157 Cb 0.18 0.21 0.12 0.00 1.28 0.00 0.00 41.25 43.04 2qql s ASN 157 CO 0.79 -0.30 1.35 -0.83 -2.04 0.00 0.00 177.10 176.07 2qql s GLY 158 N -1.13 -0.35 -0.15 0.45 0.00 -1.13 -5.03 107.32 99.98 2qql s GLY 158 Ca -0.12 0.56 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 2qql s GLY 158 CO 0.01 2.40 0.32 -1.59 0.00 0.00 0.00 173.10 174.24 2qql s THR 159 N -2.13 5.28 -0.23 0.90 2.01 -1.26 -1.73 115.64 118.48 2qql s THR 159 Ca 0.21 0.61 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 2qql s THR 159 Cb 0.04 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2qql s THR 159 CO -0.04 0.39 0.03 -0.63 -0.69 0.00 0.00 174.62 173.68 2qql s ILE 160 N 0.43 4.12 0.23 1.82 1.01 -0.60 -4.99 121.20 123.21 2qql s ILE 160 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 2qql s ILE 160 Cb -0.13 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2qql s ILE 160 CO 0.05 0.38 0.48 -1.83 0.00 0.00 0.00 174.94 174.03 2qql s GLU 161 N 1.32 1.49 0.65 2.79 -1.05 -1.26 -0.61 118.70 122.02 2qql s GLU 161 Ca 0.04 -1.15 -0.17 0.00 -0.15 0.00 0.00 54.97 53.55 2qql s GLU 161 Cb -0.15 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 2qql s GLU 161 CO 0.02 -0.62 1.05 0.43 0.95 0.00 0.00 175.26 177.09 2qql n SER 162 N -0.36 0.99 -4.76 0.83 7.64 -0.62 -4.96 113.62 112.38 2qql n SER 162 Ca -0.04 0.76 -0.41 0.00 1.01 0.00 0.00 58.87 60.19 2qql n SER 162 Cb 0.62 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 2qql n SER 162 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2qql s PRO 163 N -3.10 4.21 0.00 1.43 0.02 -1.26 -3.00 135.00 133.30 2qql s PRO 163 Ca 0.77 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.21 2qql s PRO 163 Cb -0.38 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.09 2qql s PRO 163 CO 0.46 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 2qql n GLY 164 N 1.47 1.81 3.56 0.52 0.00 -1.26 -4.14 105.19 107.15 2qql n GLY 164 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2qql n GLY 164 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qql n PHE 165 N -2.00 1.02 1.80 1.61 7.35 -1.16 -1.95 117.46 124.12 2qql n PHE 165 Ca 0.00 0.74 0.11 0.00 -0.76 0.00 0.00 57.45 57.54 2qql n PHE 165 Cb 0.00 -2.21 0.67 0.00 0.35 0.00 0.00 39.48 38.29 2qql n PHE 165 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2qql n PRO 166 N 0.87 0.90 -4.32 -7.13 -0.04 -1.26 -5.03 135.00 118.98 2qql n PRO 166 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 2qql n PRO 166 Cb 0.30 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 2qql n PRO 166 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2qql s GLU 167 N -2.00 2.22 0.05 0.54 -1.05 -0.83 -4.96 118.70 112.68 2qql s GLU 167 Ca 0.34 -2.20 -0.30 0.00 -0.15 0.00 0.00 54.97 52.66 2qql s GLU 167 Cb 0.16 -1.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.99 2qql s GLU 167 CO 0.26 -0.47 0.97 0.21 0.95 0.00 0.00 175.26 177.18 2qql s LYS 168 N -4.07 4.62 -0.32 -4.83 2.47 -1.26 -4.73 119.74 111.62 2qql s LYS 168 Ca 0.20 1.43 -0.25 0.00 -1.56 0.00 0.00 55.97 55.80 2qql s LYS 168 Cb -0.00 -3.42 0.01 0.00 -1.46 0.00 0.00 37.83 32.95 2qql s LYS 168 CO 0.12 0.07 0.86 -0.47 0.16 0.00 0.00 175.35 176.10 2qql s TYR 169 N 0.56 3.17 -1.43 4.03 6.04 -1.26 -4.94 117.35 123.51 2qql s TYR 169 Ca 0.50 0.86 -0.14 0.00 0.04 0.00 0.00 57.07 58.33 2qql s TYR 169 Cb -0.22 -3.38 0.02 0.00 -1.04 0.00 0.00 41.96 37.33 2qql s TYR 169 CO 0.29 -0.65 2.28 -0.35 -1.54 0.00 0.00 175.55 175.57 2qql n PRO 170 N 6.43 2.84 -3.58 4.97 -0.04 -1.26 -4.67 135.00 139.69 2qql n PRO 170 Ca 0.06 -2.51 -0.11 0.00 -0.04 0.00 0.00 63.50 60.90 2qql n PRO 170 Cb 0.48 -3.22 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 2qql n PRO 170 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2qql s HIS 171 N 3.22 -0.39 0.72 0.54 3.76 -1.26 -5.13 115.29 116.75 2qql s HIS 171 Ca 0.50 0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 55.94 2qql s HIS 171 Cb 0.14 0.44 0.03 0.00 1.11 0.00 0.00 32.58 34.31 2qql s HIS 171 CO -0.07 -0.35 1.14 -0.80 -0.85 0.00 0.00 174.74 173.81 2qql s ASN 172 N -1.06 4.53 0.06 1.40 -0.87 -1.26 -4.72 114.94 113.02 2qql s ASN 172 Ca -0.02 2.10 -0.01 0.00 -1.57 0.00 0.00 52.86 53.37 2qql s ASN 172 Cb -0.01 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 2qql s ASN 172 CO 0.02 -2.02 -0.03 -0.76 -2.57 0.00 0.00 177.10 171.73 2qql s LEU 173 N -5.26 2.48 -0.29 0.60 1.43 -1.26 -1.92 118.68 114.46 2qql s LEU 173 Ca 0.68 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2qql s LEU 173 Cb -0.23 0.15 0.19 0.00 0.03 0.00 0.00 46.19 46.34 2qql s LEU 173 CO 0.46 -0.58 0.59 -1.81 0.23 0.00 0.00 176.35 175.24 2qql s ASP 174 N -2.94 -1.46 -0.01 2.29 1.01 -1.11 -2.04 116.67 112.40 2qql s ASP 174 Ca 0.08 0.52 -0.02 0.00 0.71 0.00 0.00 52.55 53.84 2qql s ASP 174 Cb 0.08 2.08 0.00 0.00 1.01 0.00 0.00 42.92 46.08 2qql s ASP 174 CO -0.09 -0.28 0.04 0.00 0.21 0.00 0.00 175.17 175.05 2qql s THR 176 N -0.20 5.32 -0.27 0.00 2.01 -1.26 -1.37 115.64 119.87 2qql s THR 176 Ca -0.02 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.14 2qql s THR 176 Cb -0.02 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2qql s THR 176 CO 0.00 0.30 0.08 -0.36 -0.69 0.00 0.00 174.62 173.95 2qql s PHE 177 N 1.37 3.11 -0.05 4.92 2.99 0.22 -1.80 117.98 128.74 2qql s PHE 177 Ca 0.09 -0.58 0.07 0.00 0.00 0.00 0.00 56.93 56.50 2qql s PHE 177 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 43.02 40.60 2qql s PHE 177 CO 0.07 -0.43 -0.25 0.95 -0.00 0.00 0.00 175.22 175.57 2qql s THR 178 N 1.59 2.12 -0.09 0.64 -4.23 -1.14 0.11 115.64 114.63 2qql s THR 178 Ca 0.05 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.37 2qql s THR 178 Cb -0.16 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 2qql s THR 178 CO 0.04 0.57 0.31 -0.63 -0.54 0.00 0.00 174.62 174.37 2qql s ILE 179 N -0.33 5.24 -0.07 2.99 1.01 0.17 -1.22 121.20 129.00 2qql s ILE 179 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.31 2qql s ILE 179 Cb -0.12 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2qql s ILE 179 CO 0.02 0.50 -0.21 -0.76 0.00 0.00 0.00 174.94 174.49 2qql s LEU 180 N -0.38 1.98 -0.03 2.97 1.43 -0.78 -2.14 118.68 121.73 2qql s LEU 180 Ca 0.19 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 2qql s LEU 180 Cb -0.14 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 2qql s LEU 180 CO 0.08 0.16 -0.17 0.00 0.23 0.00 0.00 176.35 176.65 2qql s ALA 181 N 0.18 1.45 0.73 4.21 0.00 -0.48 -4.59 121.76 123.27 2qql s ALA 181 Ca -0.11 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2qql s ALA 181 Cb -0.15 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.59 2qql s ALA 181 CO 0.05 0.31 1.20 0.15 0.00 0.00 0.00 175.76 177.48 2qql s LYS 182 N -0.20 2.14 0.74 0.00 1.02 -1.26 -4.80 119.74 117.38 2qql s LYS 182 Ca 0.02 1.74 -0.14 0.00 0.02 0.00 0.00 55.97 57.61 2qql s LYS 182 Cb -0.09 -1.84 0.04 0.00 -0.52 0.00 0.00 37.83 35.43 2qql s LYS 182 CO 0.01 -1.83 1.18 -1.25 -0.92 0.00 0.00 175.35 172.54 2qql s PRO 183 N -3.93 2.16 0.00 -1.68 0.04 -1.26 -2.81 135.00 127.52 2qql s PRO 183 Ca 0.74 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2qql s PRO 183 Cb -0.29 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2qql s PRO 183 CO 0.45 -1.80 0.00 1.17 0.04 0.00 0.00 177.00 176.87 2qql n LYS 184 N -2.82 0.00 -4.19 4.56 4.81 -1.26 -5.01 118.16 114.24 2qql n LYS 184 Ca 0.13 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.23 2qql n LYS 184 Cb 0.51 -2.83 -0.15 0.00 0.02 0.00 0.00 35.03 32.57 2qql n LYS 184 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2qql s MET 185 N -0.02 3.12 0.17 1.64 -1.94 -1.12 -0.49 119.30 120.65 2qql s MET 185 Ca 0.00 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 52.93 2qql s MET 185 Cb 0.00 -2.67 -0.08 0.00 2.01 0.00 0.00 34.83 34.10 2qql s MET 185 CO 0.00 -0.15 0.87 -2.00 -0.01 0.00 0.00 175.02 173.72 2qql s GLU 186 N 1.21 4.68 -0.20 2.03 2.12 0.08 -4.78 118.70 123.85 2qql s GLU 186 Ca 0.02 1.31 -0.13 0.00 0.36 0.00 0.00 54.97 56.54 2qql s GLU 186 Cb -0.14 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 2qql s GLU 186 CO -0.08 0.45 0.26 0.42 -0.54 0.00 0.00 175.26 175.78 2qql s ILE 187 N -0.82 5.31 -0.20 -3.70 1.01 0.37 -1.52 121.20 121.66 2qql s ILE 187 Ca 0.40 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 2qql s ILE 187 Cb -0.24 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.64 2qql s ILE 187 CO 0.28 0.35 -0.13 -0.63 0.00 0.00 0.00 174.94 174.82 2qql s ILE 188 N 0.81 2.64 -0.11 2.92 1.01 -0.26 -0.85 121.20 127.36 2qql s ILE 188 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2qql s ILE 188 Cb -0.13 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 2qql s ILE 188 CO 0.04 0.49 -0.21 -0.22 0.00 0.00 0.00 174.94 175.04 2qql s LEU 189 N 1.34 2.25 -0.06 2.97 2.96 -0.43 -0.41 118.68 127.30 2qql s LEU 189 Ca 0.05 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 2qql s LEU 189 Cb -0.14 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.12 2qql s LEU 189 CO -0.08 0.16 0.14 0.00 -1.32 0.00 0.00 176.35 175.25 2qql s GLN 190 N 0.33 0.13 -0.18 1.98 -2.07 -0.39 -1.32 119.66 118.14 2qql s GLN 190 Ca -0.17 0.27 -0.09 0.00 -1.82 0.00 0.00 55.36 53.55 2qql s GLN 190 Cb -0.17 -0.03 -0.05 0.00 -1.09 0.00 0.00 33.01 31.67 2qql s GLN 190 CO 0.08 -0.08 0.13 -0.06 -1.32 0.00 0.00 175.29 174.04 2qql s PHE 191 N 0.53 3.46 -0.19 9.60 0.40 -1.26 -0.56 117.98 129.96 2qql s PHE 191 Ca -0.04 0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 56.46 2qql s PHE 191 Cb -0.05 -2.10 -0.18 0.00 0.51 0.00 0.00 43.02 41.19 2qql s PHE 191 CO -0.02 0.41 0.27 -0.07 0.70 0.00 0.00 175.22 176.51 2qql h LEU 192 N 6.23 0.00 -7.86 -0.37 4.07 -1.09 -3.48 115.31 112.81 2qql h LEU 192 Ca -0.45 -0.54 -0.25 0.00 0.08 0.00 0.00 57.88 56.73 2qql h LEU 192 Cb 1.17 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.65 2qql h LEU 192 CO 0.71 1.30 -0.73 -0.63 -1.08 0.00 0.00 178.44 178.02 2qql s ILE 193 N -2.30 0.18 -0.17 1.22 1.01 -1.05 -5.01 121.20 115.09 2qql s ILE 193 Ca -0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2qql s ILE 193 Cb 0.04 -0.20 0.08 0.00 0.01 0.00 0.00 42.46 42.39 2qql s ILE 193 CO 0.56 -0.08 0.19 0.12 0.00 0.00 0.00 174.94 175.73 2qql s PHE 194 N -0.39 -0.18 -0.43 3.97 5.36 -1.26 -1.69 117.98 123.36 2qql s PHE 194 Ca -0.03 0.22 0.07 0.00 -0.96 0.00 0.00 56.93 56.23 2qql s PHE 194 Cb -0.03 -0.39 0.22 0.00 -0.34 0.00 0.00 43.02 42.48 2qql s PHE 194 CO -0.00 -0.52 0.49 -3.47 -1.46 0.00 0.00 175.22 170.25 2qql n ASP 195 N 5.31 0.37 0.00 6.13 2.03 -0.91 -4.41 116.55 125.07 2qql n ASP 195 Ca -0.06 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.58 2qql n ASP 195 Cb 0.49 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2qql n ASP 195 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2qql n LEU 196 N 1.80 0.00 -0.58 -2.67 4.77 0.12 -2.91 117.00 117.53 2qql n LEU 196 Ca 0.24 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 2qql n LEU 196 Cb 0.50 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.78 2qql n LEU 196 CO 0.17 0.00 0.60 0.00 -1.33 0.00 0.00 177.39 176.83 2qql n LYS 209 N -1.08 0.66 0.07 0.00 5.02 -1.26 -4.52 118.16 117.05 2qql n LYS 209 Ca 0.21 0.37 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 2qql n LYS 209 Cb 0.79 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 2qql n LYS 209 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2qql h TYR 210 N -0.46 -0.24 -4.28 2.13 0.99 -1.97 -3.47 116.97 109.67 2qql h TYR 210 Ca -0.45 -0.01 -0.69 0.00 2.00 0.00 0.00 58.73 59.58 2qql h TYR 210 Cb 1.70 0.08 -0.26 0.00 1.00 0.00 0.00 36.73 39.25 2qql h TYR 210 CO 0.06 0.11 -0.86 -0.51 -0.00 0.00 0.00 178.16 176.96 2qql s ASP 211 N -5.39 3.32 0.15 3.88 1.01 -1.26 -4.25 116.67 114.14 2qql s ASP 211 Ca -0.10 -0.51 -0.24 0.00 0.71 0.00 0.00 52.55 52.41 2qql s ASP 211 Cb 0.00 -0.40 0.06 0.00 1.01 0.00 0.00 42.92 43.60 2qql s ASP 211 CO 0.37 0.28 0.77 -1.66 0.21 0.00 0.00 175.17 175.14 2qql s TRP 212 N -0.78 -0.33 -0.21 4.23 -2.14 -0.88 -4.75 118.94 114.09 2qql s TRP 212 Ca 0.12 0.05 -0.04 0.00 2.66 0.00 0.00 56.10 58.89 2qql s TRP 212 Cb -0.10 0.61 0.09 0.00 -3.10 0.00 0.00 33.47 30.97 2qql s TRP 212 CO 0.02 -0.87 0.19 -1.17 -2.66 0.00 0.00 176.95 172.46 2qql s LEU 213 N -2.77 0.04 0.09 -4.66 0.20 -0.18 -1.20 118.68 110.20 2qql s LEU 213 Ca 0.07 -0.44 -0.01 0.00 0.69 0.00 0.00 54.13 54.44 2qql s LEU 213 Cb -0.02 0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.88 2qql s LEU 213 CO -0.04 -0.35 0.25 1.51 -0.29 0.00 0.00 176.35 177.43 2qql s ASP 214 N 2.27 6.38 -0.13 3.68 1.47 -0.78 -1.05 116.67 128.51 2qql s ASP 214 Ca 0.06 0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.11 2qql s ASP 214 Cb -0.16 -1.98 -0.01 0.00 -0.34 0.00 0.00 42.92 40.43 2qql s ASP 214 CO -0.15 0.13 -0.14 -0.63 0.68 0.00 0.00 175.17 175.07 2qql s ILE 215 N -1.56 2.99 -0.09 2.11 1.01 -0.34 -1.63 121.20 123.69 2qql s ILE 215 Ca 0.36 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2qql s ILE 215 Cb -0.13 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2qql s ILE 215 CO 0.28 0.53 -0.12 0.26 0.00 0.00 0.00 174.94 175.88 2qql s TRP 216 N 0.37 2.80 -1.50 3.97 0.52 0.12 -0.31 118.94 124.91 2qql s TRP 216 Ca -0.11 -0.29 -0.10 0.00 0.02 0.00 0.00 56.10 55.61 2qql s TRP 216 Cb -0.16 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 2qql s TRP 216 CO 0.06 0.07 2.59 -3.47 0.02 0.00 0.00 176.95 176.21 2qql n ASP 217 N 2.77 7.20 0.00 2.95 2.03 0.40 -2.19 116.55 129.71 2qql n ASP 217 Ca -0.18 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.34 2qql n ASP 217 Cb 0.52 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2qql n ASP 217 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qql n GLY 218 N 3.27 0.65 3.73 0.27 0.00 -1.25 -3.98 105.19 107.88 2qql n GLY 218 Ca 0.66 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2qql n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qql s ILE 219 N -3.30 4.38 0.32 -0.61 1.01 -0.72 -3.99 121.20 118.29 2qql s ILE 219 Ca 0.00 2.04 -0.28 0.00 0.00 0.00 0.00 60.65 62.41 2qql s ILE 219 Cb 0.00 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 2qql s ILE 219 CO 0.00 0.35 1.19 -2.65 0.00 0.00 0.00 174.94 173.83 2qql n PRO 220 N 2.53 1.84 -1.66 2.79 -0.02 -1.26 -0.69 135.00 138.54 2qql n PRO 220 Ca 0.02 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 61.95 2qql n PRO 220 Cb 0.49 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2qql n PRO 220 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2qql n HIS 221 N 0.37 -0.11 0.00 6.00 8.25 -1.26 -4.68 115.22 123.79 2qql n HIS 221 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2qql n HIS 221 Cb 0.34 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.11 2qql n HIS 221 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2qql n VAL 222 N -2.62 0.00 -1.66 1.59 0.31 -0.26 -5.09 118.33 110.61 2qql n VAL 222 Ca -0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.84 2qql n VAL 222 Cb 0.64 -0.61 0.13 0.00 -0.91 0.00 0.00 33.84 33.09 2qql n VAL 222 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qql s GLY 223 N -4.90 1.60 0.64 2.92 0.00 0.13 -4.74 107.32 102.98 2qql s GLY 223 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 2qql s GLY 223 CO 0.00 -0.07 1.08 -4.14 0.00 0.00 0.00 173.10 169.96 2qql s PRO 224 N -5.43 3.00 -0.20 2.90 0.02 -1.26 -4.78 135.00 129.25 2qql s PRO 224 Ca 0.65 1.23 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 2qql s PRO 224 Cb -0.12 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2qql s PRO 224 CO 0.52 -1.07 0.99 -1.17 -0.33 0.00 0.00 177.00 175.95 2qql s LEU 225 N -4.88 4.13 0.00 -5.54 2.96 -1.26 -0.45 118.68 113.65 2qql s LEU 225 Ca 0.64 1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 55.69 2qql s LEU 225 Cb -0.17 -3.48 -0.20 0.00 0.50 0.00 0.00 46.19 42.84 2qql s LEU 225 CO 0.42 -0.58 1.17 0.40 -1.32 0.00 0.00 176.35 176.44 2qql h ILE 226 N 5.35 1.43 0.00 6.68 2.04 -1.00 -3.46 117.51 128.56 2qql h ILE 226 Ca -0.23 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2qql h ILE 226 Cb 1.09 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2qql h ILE 226 CO 0.93 0.49 0.00 0.61 0.00 0.00 0.00 178.15 180.18 2qql n GLY 227 N 0.71 1.36 3.74 5.37 0.00 -1.10 -5.00 105.19 110.26 2qql n GLY 227 Ca -0.08 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 2qql n GLY 227 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qql s LYS 228 N -2.00 4.22 0.03 1.61 2.20 -1.26 -1.20 119.74 123.33 2qql s LYS 228 Ca 0.00 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.76 2qql s LYS 228 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2qql s LYS 228 CO 0.00 0.27 -0.22 0.71 -0.36 0.00 0.00 175.35 175.75 2qql s TYR 229 N 0.37 1.96 0.17 4.03 1.51 -0.22 -4.97 117.35 120.20 2qql s TYR 229 Ca 0.16 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 2qql s TYR 229 Cb -0.13 -1.19 0.06 0.00 -0.11 0.00 0.00 41.96 40.59 2qql s TYR 229 CO 0.04 0.07 0.68 0.00 -1.11 0.00 0.00 175.55 175.23 2qql n GLY 231 N -0.39 -0.56 1.57 0.00 0.00 -1.26 -3.72 105.19 100.83 2qql n GLY 231 Ca -0.12 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.61 2qql n GLY 231 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qql n THR 232 N 0.00 2.07 -1.41 2.61 -2.24 -1.26 0.14 114.28 114.19 2qql n THR 232 Ca 0.00 -1.09 -0.31 0.00 -2.27 0.00 0.00 64.05 60.38 2qql n THR 232 Cb 0.00 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.90 2qql n THR 232 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2qql n LYS 233 N 0.59 0.83 -2.03 -0.78 0.00 -1.24 -4.93 118.16 110.60 2qql n LYS 233 Ca 0.22 -1.82 -0.43 0.00 0.00 0.00 0.00 58.31 56.28 2qql n LYS 233 Cb 0.96 -3.36 -0.03 0.00 0.00 0.00 0.00 35.03 32.61 2qql n LYS 233 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2qql s THR 234 N 10.65 3.55 0.29 3.15 -1.32 -1.26 -4.65 115.64 126.05 2qql s THR 234 Ca 0.70 0.58 -0.28 0.00 -1.21 0.00 0.00 61.69 61.48 2qql s THR 234 Cb 0.05 -3.65 -0.09 0.00 -1.51 0.00 0.00 72.50 67.29 2qql s THR 234 CO 0.19 -0.36 0.98 -2.16 -2.21 0.00 0.00 174.62 171.07 2qql s PRO 235 N 5.25 4.65 0.68 7.08 0.04 -1.26 -5.01 135.00 146.43 2qql s PRO 235 Ca 0.77 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 2qql s PRO 235 Cb -0.24 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.30 2qql s PRO 235 CO 0.32 0.31 1.10 -1.12 0.04 0.00 0.00 177.00 177.66 2qql s SER 236 N -1.32 5.00 0.44 6.66 0.01 -1.26 -4.46 113.70 118.77 2qql s SER 236 Ca 0.47 1.95 -0.23 0.00 1.31 0.00 0.00 55.95 59.45 2qql s SER 236 Cb -0.24 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.34 2qql s SER 236 CO 0.30 -1.70 0.78 1.21 0.41 0.00 0.00 173.24 174.24 2qql n GLU 237 N -2.65 0.93 -4.69 12.44 2.13 -1.26 -4.91 120.64 122.63 2qql n GLU 237 Ca 0.10 0.34 -0.25 0.00 0.66 0.00 0.00 57.16 58.01 2qql n GLU 237 Cb 0.52 -1.80 -0.16 0.00 0.27 0.00 0.00 31.44 30.27 2qql n GLU 237 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2qql s LEU 238 N 0.37 1.79 -0.28 4.31 1.43 -0.43 -4.97 118.68 120.90 2qql s LEU 238 Ca 0.65 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2qql s LEU 238 Cb -0.56 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 44.84 2qql s LEU 238 CO 0.56 0.09 -0.06 -0.13 0.23 0.00 0.00 176.35 177.05 2qql s ARG 239 N 0.35 2.27 -0.11 1.70 0.52 -1.26 -1.31 118.95 121.11 2qql s ARG 239 Ca -0.09 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 2qql s ARG 239 Cb -0.13 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 2qql s ARG 239 CO 0.03 -0.62 -0.12 0.45 0.02 0.00 0.00 175.30 175.06 2qql s SER 240 N 1.16 4.09 -0.07 0.23 0.15 -0.03 -4.96 113.70 114.26 2qql s SER 240 Ca -0.06 -0.28 0.13 0.00 0.70 0.00 0.00 55.95 56.44 2qql s SER 240 Cb -0.20 -1.47 0.40 0.00 -1.71 0.00 0.00 66.02 63.04 2qql s SER 240 CO -0.04 0.21 1.32 -1.54 1.20 0.00 0.00 173.24 174.39 2qql n SER 241 N 3.26 3.33 0.27 5.45 3.41 -1.26 -0.47 113.62 127.60 2qql n SER 241 Ca -0.18 -2.42 0.16 0.00 -0.26 0.00 0.00 58.87 56.17 2qql n SER 241 Cb 0.53 -0.36 0.68 0.00 -0.26 0.00 0.00 64.21 64.79 2qql n SER 241 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2qql h THR 242 N 1.93 0.16 0.00 6.66 2.02 -1.94 -3.47 112.91 118.28 2qql h THR 242 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2qql h THR 242 Cb 1.03 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2qql h THR 242 CO 0.09 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.65 2qql n GLY 243 N -0.07 3.40 3.02 2.16 0.00 -1.26 -4.90 105.19 107.53 2qql n GLY 243 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2qql n GLY 243 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qql s ILE 244 N -2.92 0.13 -0.14 -0.61 -0.00 -1.26 -1.39 121.20 115.02 2qql s ILE 244 Ca 0.00 -1.11 -0.07 0.00 -0.00 0.00 0.00 60.65 59.48 2qql s ILE 244 Cb 0.00 -0.58 0.06 0.00 -0.00 0.00 0.00 42.46 41.94 2qql s ILE 244 CO 0.00 -0.61 0.32 -0.22 -0.00 0.00 0.00 174.94 174.43 2qql s LEU 245 N -1.81 0.08 0.07 0.37 2.96 -0.91 -3.91 118.68 115.53 2qql s LEU 245 Ca -0.10 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2qql s LEU 245 Cb -0.06 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.60 2qql s LEU 245 CO -0.03 -0.19 -0.09 -0.94 -1.32 0.00 0.00 176.35 173.79 2qql s SER 246 N 1.53 1.12 -0.07 3.68 1.04 -0.93 0.45 113.70 120.53 2qql s SER 246 Ca -0.08 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.68 2qql s SER 246 Cb -0.10 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2qql s SER 246 CO -0.10 -0.27 -0.23 -0.76 0.98 0.00 0.00 173.24 172.86 2qql s LEU 247 N -2.12 2.16 -0.04 2.42 1.43 0.30 0.14 118.68 122.98 2qql s LEU 247 Ca -0.01 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2qql s LEU 247 Cb -0.05 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2qql s LEU 247 CO -0.01 0.22 0.01 -0.89 0.23 0.00 0.00 176.35 175.92 2qql s THR 248 N -0.02 4.31 -0.12 5.49 2.01 -0.64 -0.61 115.64 126.05 2qql s THR 248 Ca -0.07 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2qql s THR 248 Cb -0.15 -2.88 0.06 0.00 0.01 0.00 0.00 72.50 69.54 2qql s THR 248 CO 0.05 0.47 0.25 0.12 -0.69 0.00 0.00 174.62 174.83 2qql s PHE 249 N -1.02 -0.39 -0.00 4.92 5.36 -0.47 -1.86 117.98 124.53 2qql s PHE 249 Ca 0.17 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 2qql s PHE 249 Cb -0.11 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 2qql s PHE 249 CO 0.07 -0.32 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.43 2qql s HIS 250 N 2.10 0.69 0.35 10.12 3.76 -0.34 -1.26 115.29 130.71 2qql s HIS 250 Ca -0.02 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 2qql s HIS 250 Cb -0.12 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 2qql s HIS 250 CO -0.08 -0.01 0.21 0.95 -0.85 0.00 0.00 174.74 174.95 2qql s THR 251 N -0.24 0.25 -0.02 1.30 -4.23 -0.86 -2.07 115.64 109.77 2qql s THR 251 Ca 0.02 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.40 2qql s THR 251 Cb -0.03 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.39 2qql s THR 251 CO -0.00 0.00 0.29 -0.62 -0.54 0.00 0.00 174.62 173.75 2qql s ASP 252 N -3.45 -0.18 0.33 3.99 -1.08 -1.26 -4.08 116.67 110.93 2qql s ASP 252 Ca 0.34 0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 2qql s ASP 252 Cb 0.03 0.32 1.02 0.00 -1.46 0.00 0.00 42.92 42.84 2qql s ASP 252 CO 0.21 -0.42 1.78 0.24 0.52 0.00 0.00 175.17 177.51 2qql h MET 253 N 4.03 0.00 0.00 4.34 2.86 -1.96 -3.02 114.93 121.18 2qql h MET 253 Ca -0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2qql h MET 253 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2qql h MET 253 CO 0.39 0.00 -0.03 0.00 1.06 0.00 0.00 176.91 178.34 2qql h ALA 254 N 2.23 0.99 -2.41 6.32 0.00 -2.00 -3.41 119.26 120.98 2qql h ALA 254 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 2qql h ALA 254 Cb 0.48 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 2qql h ALA 254 CO 0.00 0.03 0.21 0.08 0.00 0.00 0.00 179.25 179.57 2qql s VAL 255 N -3.35 4.93 0.19 0.00 1.01 -1.14 -4.99 120.40 117.06 2qql s VAL 255 Ca 0.05 1.09 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 2qql s VAL 255 Cb 0.06 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.57 2qql s VAL 255 CO 0.63 -0.07 1.75 0.00 0.00 0.00 0.00 175.10 177.42 2qql h ALA 256 N 8.00 0.91 -2.59 5.51 0.00 -1.86 -3.43 119.26 125.79 2qql h ALA 256 Ca -0.26 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2qql h ALA 256 Cb 1.12 -0.27 -0.27 0.00 0.00 0.00 0.00 17.79 18.37 2qql h ALA 256 CO 0.80 0.54 -0.31 0.21 0.00 0.00 0.00 179.25 180.49 2qql s LYS 257 N -5.53 0.38 -0.10 0.00 2.20 -1.26 -4.89 119.74 110.55 2qql s LYS 257 Ca -0.13 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 2qql s LYS 257 Cb 0.14 0.08 0.11 0.00 -1.51 0.00 0.00 37.83 36.65 2qql s LYS 257 CO 0.82 -0.19 0.89 0.16 -0.36 0.00 0.00 175.35 176.67 2qql s ASP 258 N 1.75 -0.45 0.00 1.43 -4.77 -1.26 -4.86 116.67 108.51 2qql s ASP 258 Ca -0.07 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.59 2qql s ASP 258 Cb -0.09 0.39 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 2qql s ASP 258 CO -0.13 -0.47 0.00 0.61 0.70 0.00 0.00 175.17 175.88 2qql n GLY 259 N 0.60 0.89 3.35 2.12 0.00 -1.15 -4.60 105.19 106.40 2qql n GLY 259 Ca -0.13 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 2qql n GLY 259 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qql s PHE 260 N -2.00 -0.34 -0.06 1.61 -0.71 -1.26 -2.14 117.98 113.08 2qql s PHE 260 Ca 0.00 0.45 0.02 0.00 -1.04 0.00 0.00 56.93 56.35 2qql s PHE 260 Cb 0.00 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 42.06 2qql s PHE 260 CO 0.00 -0.53 -0.08 0.45 -1.34 0.00 0.00 175.22 173.71 2qql s SER 261 N -1.64 1.39 0.19 1.98 0.15 -0.68 -1.59 113.70 113.51 2qql s SER 261 Ca -0.09 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.36 2qql s SER 261 Cb -0.02 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.60 2qql s SER 261 CO 0.02 -0.02 0.05 0.00 1.20 0.00 0.00 173.24 174.49 2qql s ALA 262 N 0.84 1.38 0.09 5.45 0.00 0.21 -0.41 121.76 129.32 2qql s ALA 262 Ca -0.12 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.25 2qql s ALA 262 Cb -0.15 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2qql s ALA 262 CO 0.01 -0.41 -0.20 0.50 0.00 0.00 0.00 175.76 175.66 2qql s ARG 263 N -3.99 1.15 0.11 0.00 6.06 0.27 -1.56 118.95 120.99 2qql s ARG 263 Ca 0.29 -1.10 0.05 0.00 -2.50 0.00 0.00 55.73 52.48 2qql s ARG 263 Cb 0.07 -1.37 -0.04 0.00 0.06 0.00 0.00 34.95 33.68 2qql s ARG 263 CO 0.07 0.32 -0.13 1.52 -2.50 0.00 0.00 175.30 174.58 2qql s TYR 264 N -1.10 1.32 0.01 5.12 1.13 -0.71 -1.26 117.35 121.86 2qql s TYR 264 Ca 0.06 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.17 2qql s TYR 264 Cb -0.10 -0.70 -0.01 0.00 -1.10 0.00 0.00 41.96 40.05 2qql s TYR 264 CO 0.04 0.11 -0.04 0.71 -2.51 0.00 0.00 175.55 173.85 2qql s TYR 265 N -2.09 0.34 -0.35 -3.49 1.51 0.45 -2.85 117.35 110.87 2qql s TYR 265 Ca 0.07 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 2qql s TYR 265 Cb -0.05 -0.22 0.06 0.00 -0.11 0.00 0.00 41.96 41.64 2qql s TYR 265 CO 0.02 -0.04 0.12 -0.51 -1.11 0.00 0.00 175.55 174.02 2qql s LEU 266 N -0.54 4.50 -0.18 -1.29 1.43 -0.11 -1.10 118.68 121.39 2qql s LEU 266 Ca -0.03 -1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 51.59 2qql s LEU 266 Cb -0.04 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2qql s LEU 266 CO -0.00 -0.38 0.04 -0.69 0.23 0.00 0.00 176.35 175.55 2qql s VAL 267 N 1.31 4.58 0.18 -1.59 1.01 -0.58 -4.93 120.40 120.38 2qql s VAL 267 Ca -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2qql s VAL 267 Cb -0.21 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2qql s VAL 267 CO 0.00 0.46 1.32 -2.28 0.00 0.00 0.00 175.10 174.59 2qql s HIS 268 N 0.48 3.26 0.32 5.22 2.46 -1.26 -0.74 115.29 125.02 2qql s HIS 268 Ca 0.02 1.19 0.08 0.00 0.47 0.00 0.00 55.06 56.82 2qql s HIS 268 Cb -0.13 -3.61 -0.03 0.00 -0.13 0.00 0.00 32.58 28.68 2qql s HIS 268 CO 0.01 -1.92 0.22 -0.65 -2.47 0.00 0.00 174.74 169.93 2qql s GLN 269 N 0.06 2.65 -0.21 2.88 -1.52 0.36 -4.88 119.66 119.00 2qql s GLN 269 Ca 0.58 -1.33 -0.03 0.00 -1.95 0.00 0.00 55.36 52.63 2qql s GLN 269 Cb -0.36 -2.40 0.07 0.00 -0.22 0.00 0.00 33.01 30.09 2qql s GLN 269 CO 0.37 0.16 0.05 -1.21 -0.25 0.00 0.00 175.29 174.42 2qql s GLU 270 N -3.92 0.57 -0.29 2.91 0.41 -1.26 -4.85 118.70 112.27 2qql s GLU 270 Ca 0.38 -0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 54.20 2qql s GLU 270 Cb -0.05 -2.02 -0.02 0.00 -1.78 0.00 0.00 34.13 30.26 2qql s GLU 270 CO 0.25 -0.70 1.63 -1.25 -0.49 0.00 0.00 175.26 174.69 2qql s PRO 271 N 1.88 3.63 0.75 0.39 0.04 -1.26 -5.01 135.00 135.42 2qql s PRO 271 Ca 0.01 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2qql s PRO 271 Cb -0.17 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 30.34 2qql s PRO 271 CO -0.11 -1.50 1.12 -0.51 0.04 0.00 0.00 177.00 176.04 2qql s LEU 272 N 5.71 2.73 -0.18 -3.56 1.43 -1.26 -4.82 118.68 118.73 2qql s LEU 272 Ca 0.72 1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 2qql s LEU 272 Cb -0.22 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.21 2qql s LEU 272 CO 0.31 -1.61 -0.21 -0.62 0.23 0.00 0.00 176.35 174.46 2qql n GLU 273 N -3.16 0.51 -1.56 1.70 4.71 -1.26 -4.43 120.64 117.15 2qql n GLU 273 Ca 0.07 0.39 -0.13 0.00 -0.01 0.00 0.00 57.16 57.48 2qql n GLU 273 Cb 0.58 -1.59 -0.09 0.00 -1.01 0.00 0.00 31.44 29.34 2qql n GLU 273 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2qql n ASN 274 N -4.49 1.52 -3.65 1.62 4.05 -1.26 -4.79 115.26 108.26 2qql n ASN 274 Ca -0.19 -1.80 -0.02 0.00 0.45 0.00 0.00 54.58 53.01 2qql n ASN 274 Cb 0.49 -1.65 -0.05 0.00 1.23 0.00 0.00 39.78 39.80 2qql n ASN 274 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 2qql s PHE 275 N 15.25 -1.27 0.07 1.20 2.19 -1.26 -5.16 117.98 129.01 2qql s PHE 275 Ca 0.89 2.24 -0.14 0.00 0.33 0.00 0.00 56.93 60.25 2qql s PHE 275 Cb -0.12 0.74 -0.06 0.00 -1.31 0.00 0.00 43.02 42.27 2qql s PHE 275 CO 0.13 -0.64 0.48 -0.65 1.83 0.00 0.00 175.22 176.37 2qql s GLN 276 N 2.72 3.95 -1.13 10.12 -1.52 -1.26 -4.99 119.66 127.55 2qql s GLN 276 Ca -0.06 0.44 -0.04 0.00 -1.95 0.00 0.00 55.36 53.74 2qql s GLN 276 Cb -0.11 -3.09 0.27 0.00 -0.22 0.00 0.00 33.01 29.86 2qql s GLN 276 CO -0.19 0.59 1.72 0.00 -0.25 0.00 0.00 175.29 177.16 2qql n ASN 278 N 1.53 0.00 -4.75 0.00 0.23 -1.18 -4.31 115.26 106.78 2qql n ASN 278 Ca 0.36 -1.29 -0.38 0.00 -0.53 0.00 0.00 54.58 52.74 2qql n ASN 278 Cb 0.31 -0.06 0.04 0.00 -2.08 0.00 0.00 39.78 38.00 2qql n ASN 278 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2qql s VAL 279 N 0.00 2.15 0.19 3.53 1.01 -0.65 -4.36 120.40 122.28 2qql s VAL 279 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2qql s VAL 279 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2qql s VAL 279 CO 0.00 -0.01 1.14 -2.16 0.00 0.00 0.00 175.10 174.08 2qql s PRO 280 N -3.02 4.55 0.17 2.72 0.04 -1.26 0.49 135.00 138.69 2qql s PRO 280 Ca 0.74 1.80 0.25 0.00 0.04 0.00 0.00 61.00 63.82 2qql s PRO 280 Cb -0.39 -3.25 0.45 0.00 0.04 0.00 0.00 34.50 31.36 2qql s PRO 280 CO 0.44 0.01 1.45 -0.07 0.04 0.00 0.00 177.00 178.88 2qql h LEU 281 N 5.07 0.00 0.00 -3.56 3.38 -0.82 -3.47 115.31 115.92 2qql h LEU 281 Ca -0.45 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2qql h LEU 281 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qql h LEU 281 CO 0.73 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2qql n GLY 282 N 1.30 1.20 0.20 0.83 0.00 -1.26 -4.18 105.19 103.28 2qql n GLY 282 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2qql n GLY 282 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qql h MET 283 N 0.00 -0.42 0.01 1.61 2.86 -1.87 -0.46 114.93 116.67 2qql h MET 283 Ca 0.00 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2qql h MET 283 Cb 0.00 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2qql h MET 283 CO 0.00 -0.14 -0.01 1.49 1.06 0.00 0.00 176.91 179.32 2qql h GLU 284 N -0.68 -0.02 0.00 1.72 4.81 -1.84 -3.07 114.58 115.50 2qql h GLU 284 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2qql h GLU 284 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2qql h GLU 284 CO 0.07 0.41 -0.06 0.66 -0.73 0.00 0.00 179.01 179.36 2qql h SER 285 N -0.45 0.00 0.00 1.04 4.64 -1.95 -3.46 113.55 113.37 2qql h SER 285 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qql h SER 285 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qql h SER 285 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2qql n GLY 286 N -1.18 0.72 0.31 -0.77 0.00 -0.28 -4.94 105.19 99.05 2qql n GLY 286 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.14 2qql n GLY 286 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qql h ARG 287 N 4.18 0.00 -5.82 1.61 3.08 -1.67 -3.28 114.38 112.48 2qql h ARG 287 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2qql h ARG 287 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2qql h ARG 287 CO 0.00 0.00 0.45 0.42 -1.07 0.00 0.00 179.97 179.77 2qql s ILE 288 N -4.74 4.78 0.64 2.04 1.01 -0.63 -4.97 121.20 119.32 2qql s ILE 288 Ca -0.05 1.32 -0.11 0.00 0.00 0.00 0.00 60.65 61.80 2qql s ILE 288 Cb 0.16 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2qql s ILE 288 CO 0.58 -0.23 1.04 0.00 0.00 0.00 0.00 174.94 176.33 2qql s ALA 289 N 2.99 2.99 0.18 9.38 0.00 -1.24 -4.77 121.76 131.30 2qql s ALA 289 Ca 0.34 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 2qql s ALA 289 Cb -0.14 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.05 2qql s ALA 289 CO 0.12 -0.81 1.71 -0.91 0.00 0.00 0.00 175.76 175.87 2qql h ASN 290 N -0.36 -0.01 -0.84 0.00 4.21 -1.93 -0.37 115.58 116.27 2qql h ASN 290 Ca -0.44 0.09 0.33 0.00 1.21 0.00 0.00 56.30 57.49 2qql h ASN 290 Cb 1.20 0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 38.37 2qql h ASN 290 CO 0.61 0.02 0.38 1.21 -1.29 0.00 0.00 177.43 178.36 2qql n GLU 291 N -5.12 -0.05 0.09 0.81 2.13 -1.26 -0.52 120.64 116.73 2qql n GLU 291 Ca 0.05 1.18 0.13 0.00 0.66 0.00 0.00 57.16 59.18 2qql n GLU 291 Cb 0.24 -2.07 0.43 0.00 0.27 0.00 0.00 31.44 30.31 2qql n GLU 291 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2qql n GLN 292 N -4.96 0.23 -3.97 5.31 6.02 -0.15 -4.81 117.38 115.06 2qql n GLN 292 Ca 0.30 0.20 -0.36 0.00 -0.01 0.00 0.00 57.00 57.13 2qql n GLN 292 Cb 1.01 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 30.42 2qql n GLN 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qql s ILE 293 N -3.10 5.14 0.36 5.09 1.01 0.33 -0.78 121.20 129.25 2qql s ILE 293 Ca 0.11 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2qql s ILE 293 Cb 0.13 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.37 2qql s ILE 293 CO 0.58 0.56 0.65 -0.94 0.00 0.00 0.00 174.94 175.79 2qql s SER 294 N -0.50 0.34 0.17 3.58 1.04 0.32 -4.84 113.70 113.81 2qql s SER 294 Ca 0.11 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 55.06 2qql s SER 294 Cb -0.12 0.77 0.06 0.00 0.10 0.00 0.00 66.02 66.83 2qql s SER 294 CO 0.02 -1.51 0.71 0.00 0.98 0.00 0.00 173.24 173.44 2qql s ALA 295 N -2.73 -1.52 0.21 5.32 0.00 -1.26 0.22 121.76 122.00 2qql s ALA 295 Ca 0.21 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 2qql s ALA 295 Cb -0.03 0.79 0.29 0.00 0.00 0.00 0.00 23.12 24.17 2qql s ALA 295 CO 0.15 -0.87 1.74 0.66 0.00 0.00 0.00 175.76 177.44 2qql h SER 296 N 2.00 0.22 -0.84 0.00 4.64 -1.85 -3.46 113.55 114.26 2qql h SER 296 Ca -0.27 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2qql h SER 296 Cb 1.28 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2qql h SER 296 CO 0.31 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 2qql n SER 297 N -5.00 0.00 -3.44 4.97 3.41 -1.26 -5.05 113.62 107.25 2qql n SER 297 Ca 0.09 -0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 57.91 2qql n SER 297 Cb 0.29 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 2qql n SER 297 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qql s THR 298 N -2.66 0.00 0.66 6.66 -1.32 -1.26 -4.60 115.64 113.12 2qql s THR 298 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 2qql s THR 298 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2qql s THR 298 CO 0.00 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.25 2qql n TYR 299 N -0.28 0.31 -0.12 9.09 9.36 -1.04 -3.26 117.16 131.21 2qql n TYR 299 Ca -0.16 0.41 -0.01 0.00 3.32 0.00 0.00 57.90 61.45 2qql n TYR 299 Cb 0.64 -2.06 0.23 0.00 -0.63 0.00 0.00 39.34 37.52 2qql n TYR 299 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2qql h SER 300 N 0.05 0.73 0.69 2.98 0.02 -1.88 -2.64 113.55 113.51 2qql h SER 300 Ca -0.47 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2qql h SER 300 Cb 1.36 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2qql h SER 300 CO 0.48 0.68 0.00 -0.90 -1.14 0.00 0.00 176.83 175.95 2qql n ASP 301 N -4.31 0.71 -0.74 3.07 5.75 -1.26 -4.88 116.55 114.88 2qql n ASP 301 Ca 0.04 0.68 -0.08 0.00 -0.01 0.00 0.00 54.79 55.43 2qql n ASP 301 Cb 0.18 -0.83 -0.02 0.00 -1.03 0.00 0.00 41.12 39.42 2qql n ASP 301 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qql n GLY 302 N -0.10 0.54 0.60 6.12 0.00 -1.00 -4.91 105.19 106.44 2qql n GLY 302 Ca 0.02 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.47 2qql n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qql n ARG 303 N -2.29 2.72 -2.68 1.61 5.12 -1.26 -4.43 116.66 115.45 2qql n ARG 303 Ca -0.08 -2.37 -0.08 0.00 -1.93 0.00 0.00 57.85 53.39 2qql n ARG 303 Cb 0.41 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.25 2qql n ARG 303 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2qql n TRP 304 N -0.26 0.79 -1.06 -1.55 7.02 -1.26 -4.60 117.44 116.52 2qql n TRP 304 Ca 0.15 -2.62 -0.30 0.00 -1.02 0.00 0.00 57.50 53.70 2qql n TRP 304 Cb 0.62 -0.16 0.14 0.00 -2.42 0.00 0.00 31.31 29.49 2qql n TRP 304 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2qql s THR 305 N -2.85 2.74 0.42 -0.99 -4.23 -1.25 -2.61 115.64 106.87 2qql s THR 305 Ca 0.26 0.24 0.14 0.00 -1.18 0.00 0.00 61.69 61.15 2qql s THR 305 Cb 0.44 -2.59 0.34 0.00 1.34 0.00 0.00 72.50 72.03 2qql s THR 305 CO 0.02 -0.31 1.95 -0.65 -0.54 0.00 0.00 174.62 175.08 2qql h PRO 306 N -1.54 0.43 0.00 3.99 0.11 -1.89 -2.62 132.00 130.48 2qql h PRO 306 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qql h PRO 306 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qql h PRO 306 CO 0.50 0.29 0.00 1.04 -0.21 0.00 0.00 178.00 179.62 2qql n GLN 307 N -4.48 0.30 -0.11 1.05 3.00 -1.26 -1.28 117.38 114.59 2qql n GLN 307 Ca 0.12 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 2qql n GLN 307 Cb 0.44 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.36 2qql n GLN 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qql n GLN 308 N -1.22 2.42 0.00 -1.09 6.02 -0.99 -4.40 117.38 118.12 2qql n GLN 308 Ca 0.09 -2.11 0.13 0.00 -0.01 0.00 0.00 57.00 55.10 2qql n GLN 308 Cb 0.11 -1.49 0.80 0.00 1.02 0.00 0.00 30.24 30.68 2qql n GLN 308 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2qql n SER 309 N 1.40 0.00 -4.75 1.08 3.41 -0.41 -4.04 113.62 110.32 2qql n SER 309 Ca 0.17 -1.10 -0.41 0.00 -0.26 0.00 0.00 58.87 57.27 2qql n SER 309 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2qql n SER 309 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qql s ARG 310 N -2.00 4.26 0.33 4.33 0.52 -1.26 -0.69 118.95 124.43 2qql s ARG 310 Ca 0.40 2.33 -0.29 0.00 -0.52 0.00 0.00 55.73 57.65 2qql s ARG 310 Cb 0.18 -3.09 -0.12 0.00 0.52 0.00 0.00 34.95 32.45 2qql s ARG 310 CO 0.31 -0.41 1.51 -0.11 0.02 0.00 0.00 175.30 176.61 2qql n LEU 311 N 2.01 4.35 -1.00 2.53 7.94 -0.86 -2.11 117.00 129.86 2qql n LEU 311 Ca 0.06 1.18 -0.12 0.00 -1.11 0.00 0.00 56.01 56.02 2qql n LEU 311 Cb 0.40 -1.58 -0.04 0.00 0.53 0.00 0.00 43.42 42.73 2qql n LEU 311 CO 0.61 0.04 -0.12 1.41 -1.11 0.00 0.00 177.39 178.22 2qql n HIS 312 N 1.27 -0.13 -2.37 1.96 8.25 -1.26 -4.63 115.22 118.30 2qql n HIS 312 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 2qql n HIS 312 Cb 0.37 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 2qql n HIS 312 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qql s GLY 313 N -2.78 2.38 0.00 -1.41 0.00 -0.90 -4.93 107.32 99.69 2qql s GLY 313 Ca 0.00 0.91 0.31 0.00 0.00 0.00 0.00 44.72 45.94 2qql s GLY 313 CO 0.00 2.06 2.17 2.09 0.00 0.00 0.00 173.10 179.41 2qql n ASP 314 N 3.70 0.00 -4.12 1.64 5.75 -1.26 -4.57 116.55 117.69 2qql n ASP 314 Ca 0.09 -0.72 -0.36 0.00 -0.01 0.00 0.00 54.79 53.79 2qql n ASP 314 Cb 0.45 -0.09 -0.12 0.00 -1.03 0.00 0.00 41.12 40.33 2qql n ASP 314 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qql s ASP 315 N -2.19 5.20 0.12 -1.12 2.15 -1.26 -4.97 116.67 114.60 2qql s ASP 315 Ca 0.41 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2qql s ASP 315 Cb 0.21 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 2qql s ASP 315 CO 0.40 -0.51 0.00 0.59 -0.17 0.00 0.00 175.17 175.48 2qql n ASN 316 N 4.57 0.00 0.00 -0.34 3.02 -1.26 -4.89 115.26 116.36 2qql n ASN 316 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2qql n ASN 316 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 2qql n ASN 316 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qql n GLY 317 N 0.00 -0.59 3.68 7.41 0.00 -1.26 -4.64 105.19 109.79 2qql n GLY 317 Ca 0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 2qql n GLY 317 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qql s TRP 318 N -3.00 3.36 0.02 1.61 -0.00 -0.88 -3.78 118.94 116.27 2qql s TRP 318 Ca 0.00 0.39 0.03 0.00 -0.00 0.00 0.00 56.10 56.52 2qql s TRP 318 Cb 0.00 -2.34 -0.01 0.00 -0.00 0.00 0.00 33.47 31.12 2qql s TRP 318 CO 0.00 0.09 -0.08 0.99 -0.00 0.00 0.00 176.95 177.95 2qql s THR 319 N 0.98 0.62 0.91 5.86 2.01 -1.07 -1.77 115.64 123.18 2qql s THR 319 Ca 0.12 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 2qql s THR 319 Cb -0.13 -0.58 0.21 0.00 0.01 0.00 0.00 72.50 72.00 2qql s THR 319 CO 0.05 -0.03 1.24 -0.81 -0.69 0.00 0.00 174.62 174.38 2qql n PRO 320 N 2.32 -1.04 0.12 4.92 -0.05 -1.26 -2.51 135.00 137.50 2qql n PRO 320 Ca -0.17 -2.17 -0.03 0.00 -0.05 0.00 0.00 63.50 61.09 2qql n PRO 320 Cb 0.56 -1.21 0.11 0.00 -0.05 0.00 0.00 33.50 32.92 2qql n PRO 320 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 175.50 174.48 2qql h ASN 321 N -1.49 0.03 -1.23 3.54 -0.00 -1.80 -3.13 115.58 111.50 2qql h ASN 321 Ca -0.40 -0.02 -0.64 0.00 -0.00 0.00 0.00 56.30 55.23 2qql h ASN 321 Cb 1.18 -0.01 -0.13 0.00 -0.00 0.00 0.00 38.32 39.36 2qql h ASN 321 CO 0.31 0.71 -0.52 -0.76 -0.00 0.00 0.00 177.43 177.17 2qql s LEU 322 N -7.48 2.22 -0.28 0.34 1.43 -1.26 -4.83 118.68 108.81 2qql s LEU 322 Ca -0.01 -1.65 0.03 0.00 -1.03 0.00 0.00 54.13 51.46 2qql s LEU 322 Cb 0.12 -0.55 0.07 0.00 0.03 0.00 0.00 46.19 45.86 2qql s LEU 322 CO 0.78 -0.87 -0.06 -1.81 0.23 0.00 0.00 176.35 174.62 2qql s ASP 323 N -3.79 4.56 0.16 2.29 1.01 -1.26 -4.95 116.67 114.69 2qql s ASP 323 Ca 0.12 -1.58 -0.17 0.00 0.71 0.00 0.00 52.55 51.63 2qql s ASP 323 Cb 0.02 -1.58 0.03 0.00 1.01 0.00 0.00 42.92 42.40 2qql s ASP 323 CO 0.07 -0.24 0.47 -0.94 0.21 0.00 0.00 175.17 174.73 2qql s SER 324 N 1.07 -0.26 0.00 0.27 1.04 -1.26 -5.02 113.70 109.54 2qql s SER 324 Ca -0.04 -0.41 0.24 0.00 0.48 0.00 0.00 55.95 56.22 2qql s SER 324 Cb -0.20 0.53 1.41 0.00 0.10 0.00 0.00 66.02 67.86 2qql s SER 324 CO -0.05 -0.96 1.78 -0.46 0.98 0.00 0.00 173.24 174.53 2qql n ASN 325 N -0.29 0.00 -2.18 7.02 6.94 -1.26 -3.26 115.26 122.23 2qql n ASN 325 Ca -0.13 -0.79 -0.27 0.00 -0.02 0.00 0.00 54.58 53.38 2qql n ASN 325 Cb 0.63 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 38.10 2qql n ASN 325 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qql n LYS 326 N -0.98 2.29 -4.00 -3.83 5.02 -1.26 -4.85 118.16 110.54 2qql n LYS 326 Ca 0.18 -2.50 -0.08 0.00 -2.02 0.00 0.00 58.31 53.88 2qql n LYS 326 Cb 0.08 -1.99 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 2qql n LYS 326 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qql s GLU 327 N -2.86 0.54 -0.10 1.97 0.41 -1.20 -5.04 118.70 112.42 2qql s GLU 327 Ca 0.49 -0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 53.84 2qql s GLU 327 Cb 0.38 0.20 0.08 0.00 -1.78 0.00 0.00 34.13 33.01 2qql s GLU 327 CO -0.04 -0.11 0.73 1.52 -0.49 0.00 0.00 175.26 176.86 2qql s TYR 328 N -2.93 -0.65 -0.20 1.61 -0.85 -1.26 -4.05 117.35 109.02 2qql s TYR 328 Ca -0.02 1.22 -0.08 0.00 -0.52 0.00 0.00 57.07 57.67 2qql s TYR 328 Cb 0.01 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2qql s TYR 328 CO -0.06 -0.54 0.08 -1.17 -1.52 0.00 0.00 175.55 172.34 2qql s LEU 329 N -0.89 3.79 -0.14 -3.49 2.96 -0.63 -2.22 118.68 118.06 2qql s LEU 329 Ca -0.08 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2qql s LEU 329 Cb -0.01 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2qql s LEU 329 CO 0.07 0.12 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.59 2qql s GLN 330 N 0.70 3.53 -0.11 1.98 0.74 0.13 -1.80 119.66 124.84 2qql s GLN 330 Ca 0.04 -0.53 0.03 0.00 0.05 0.00 0.00 55.36 54.94 2qql s GLN 330 Cb -0.13 -2.85 0.01 0.00 1.10 0.00 0.00 33.01 31.14 2qql s GLN 330 CO 0.02 0.30 -0.20 0.08 -0.55 0.00 0.00 175.29 174.94 2qql s VAL 331 N 0.20 1.82 -0.41 1.34 1.01 0.74 -0.53 120.40 124.57 2qql s VAL 331 Ca -0.03 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2qql s VAL 331 Cb -0.14 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2qql s VAL 331 CO 0.03 0.50 0.39 -0.62 0.00 0.00 0.00 175.10 175.40 2qql s ASP 332 N 0.70 6.17 0.00 3.32 2.15 0.04 -1.07 116.67 127.99 2qql s ASP 332 Ca -0.11 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.42 2qql s ASP 332 Cb -0.16 -2.20 1.29 0.00 -0.30 0.00 0.00 42.92 41.55 2qql s ASP 332 CO 0.02 -0.52 1.86 0.18 -0.17 0.00 0.00 175.17 176.54 2qql n LEU 333 N 5.44 0.00 0.00 -1.34 4.77 -0.05 -4.79 117.00 121.03 2qql n LEU 333 Ca -0.09 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2qql n LEU 333 Cb 0.47 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2qql n LEU 333 CO 0.44 -0.04 0.00 0.54 -1.33 0.00 0.00 177.39 177.00 2qql n ARG 334 N -1.29 0.00 -4.15 3.23 1.74 -1.26 -4.85 116.66 110.09 2qql n ARG 334 Ca 0.12 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.97 2qql n ARG 334 Cb 0.21 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.59 2qql n ARG 334 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qql s PHE 335 N 0.00 3.03 -0.25 -1.55 0.40 -1.26 -4.90 117.98 113.44 2qql s PHE 335 Ca 0.00 -0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 55.93 2qql s PHE 335 Cb 0.00 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2qql s PHE 335 CO 0.00 0.54 2.07 -1.17 0.70 0.00 0.00 175.22 177.36 2qql s LEU 336 N -3.63 3.47 0.21 -0.37 2.96 -1.26 -4.61 118.68 115.45 2qql s LEU 336 Ca 0.32 1.70 0.10 0.00 -0.22 0.00 0.00 54.13 56.03 2qql s LEU 336 Cb -0.08 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 2qql s LEU 336 CO 0.23 -1.87 -0.15 -0.89 -1.32 0.00 0.00 176.35 172.35 2qql s THR 337 N 7.79 2.81 -0.26 3.68 2.01 0.21 -4.57 115.64 127.32 2qql s THR 337 Ca 0.93 -1.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 2qql s THR 337 Cb -0.29 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2qql s THR 337 CO 0.35 -0.19 0.30 -0.32 -0.69 0.00 0.00 174.62 174.07 2qql s MET 338 N -2.98 4.03 -0.23 4.92 1.75 -0.53 -0.71 119.30 125.56 2qql s MET 338 Ca 0.25 -0.07 -0.10 0.00 -1.25 0.00 0.00 55.69 54.53 2qql s MET 338 Cb -0.08 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.92 2qql s MET 338 CO 0.14 -0.18 0.13 -1.17 -0.65 0.00 0.00 175.02 173.29 2qql s LEU 339 N 1.77 4.01 0.00 4.11 2.96 0.58 -1.85 118.68 130.26 2qql s LEU 339 Ca 0.13 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2qql s LEU 339 Cb -0.15 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2qql s LEU 339 CO 0.09 0.08 0.00 0.35 -1.32 0.00 0.00 176.35 175.56 2qql n THR 340 N 4.16 0.00 -3.64 3.68 -2.24 0.88 -1.33 114.28 115.78 2qql n THR 340 Ca -0.15 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 2qql n THR 340 Cb 0.52 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2qql n THR 340 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qql s ALA 341 N -1.72 -1.22 -0.06 6.98 0.00 -1.00 -0.24 121.76 124.50 2qql s ALA 341 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.72 2qql s ALA 341 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 2qql s ALA 341 CO 0.00 -0.35 -0.23 0.42 0.00 0.00 0.00 175.76 175.60 2qql s ILE 342 N -1.53 1.93 -0.08 0.00 1.01 -0.21 -1.06 121.20 121.27 2qql s ILE 342 Ca -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.58 2qql s ILE 342 Cb -0.02 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2qql s ILE 342 CO 0.05 0.54 -0.13 0.00 0.00 0.00 0.00 174.94 175.39 2qql s ALA 343 N -0.02 1.44 0.10 9.38 0.00 -0.78 0.10 121.76 131.99 2qql s ALA 343 Ca -0.07 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2qql s ALA 343 Cb -0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2qql s ALA 343 CO 0.04 0.04 -0.13 0.95 0.00 0.00 0.00 175.76 176.67 2qql s THR 344 N 0.80 1.18 0.38 0.00 -4.23 -0.18 -0.61 115.64 112.97 2qql s THR 344 Ca -0.12 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 2qql s THR 344 Cb -0.16 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2qql s THR 344 CO 0.02 -0.41 0.21 -1.10 -0.54 0.00 0.00 174.62 172.80 2qql s GLN 345 N -2.49 1.87 0.00 3.99 -0.21 -0.48 -1.11 119.66 121.23 2qql s GLN 345 Ca 0.06 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.31 2qql s GLN 345 Cb -0.06 -0.14 0.00 0.00 1.00 0.00 0.00 33.01 33.82 2qql s GLN 345 CO 0.02 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.02 2qql n GLY 346 N -0.79 1.32 3.64 3.09 0.00 -0.09 -2.35 105.19 110.01 2qql n GLY 346 Ca 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 2qql n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qql s ALA 347 N -3.45 -2.14 -0.24 4.61 0.00 -0.24 -4.11 121.76 116.20 2qql s ALA 347 Ca 0.00 1.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.64 2qql s ALA 347 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2qql s ALA 347 CO 0.00 -0.16 0.10 0.42 0.00 0.00 0.00 175.76 176.12 2qql s ILE 348 N 0.14 4.73 -0.34 0.00 1.01 -1.26 -1.81 121.20 123.68 2qql s ILE 348 Ca 0.05 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 2qql s ILE 348 Cb -0.05 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 2qql s ILE 348 CO -0.12 0.35 2.28 -0.24 0.00 0.00 0.00 174.94 177.21 2qql n SER 349 N 4.55 2.67 0.29 3.58 2.88 0.62 -4.40 113.62 123.81 2qql n SER 349 Ca -0.16 0.08 0.16 0.00 -1.33 0.00 0.00 58.87 57.62 2qql n SER 349 Cb 0.52 -1.47 0.89 0.00 -0.75 0.00 0.00 64.21 63.39 2qql n SER 349 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2qql h ARG 350 N 15.41 0.00 0.00 -1.46 2.43 -1.93 1.99 114.38 130.82 2qql h ARG 350 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2qql h ARG 350 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2qql h ARG 350 CO 1.03 0.05 -1.09 0.39 -1.51 0.00 0.00 179.97 178.85 2qql n GLU 351 N -3.59 0.21 0.00 0.20 4.71 -1.26 -4.58 120.64 116.33 2qql n GLU 351 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2qql n GLU 351 Cb 0.15 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2qql n GLU 351 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qql n THR 352 N -1.80 0.00 -1.28 2.62 -2.24 -0.70 -5.04 114.28 105.84 2qql n THR 352 Ca 0.02 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 2qql n THR 352 Cb 0.41 1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 70.02 2qql n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qql n GLN 353 N -0.06 -1.46 -1.84 -0.78 1.13 0.67 -4.96 117.38 110.09 2qql n GLN 353 Ca 0.00 0.80 -0.32 0.00 -1.94 0.00 0.00 57.00 55.54 2qql n GLN 353 Cb 0.11 -5.07 0.03 0.00 0.11 0.00 0.00 30.24 25.42 2qql n GLN 353 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2qql s ASN 354 N -2.43 5.55 -0.35 1.08 0.02 -1.25 -4.69 114.94 112.87 2qql s ASN 354 Ca 0.00 1.76 -0.01 0.00 -1.02 0.00 0.00 52.86 53.59 2qql s ASN 354 Cb 0.00 -2.52 0.08 0.00 0.02 0.00 0.00 41.25 38.83 2qql s ASN 354 CO 0.00 -1.33 0.08 -0.83 0.02 0.00 0.00 177.10 175.04 2qql s GLY 355 N -3.12 1.87 0.03 0.66 0.00 -1.26 -0.28 107.32 105.21 2qql s GLY 355 Ca 0.62 -2.17 0.01 0.00 0.00 0.00 0.00 44.72 43.18 2qql s GLY 355 CO 0.44 0.85 0.08 -0.19 0.00 0.00 0.00 173.10 174.28 2qql s TYR 356 N 1.15 3.24 -0.17 1.90 2.02 -0.75 -4.78 117.35 119.97 2qql s TYR 356 Ca 0.02 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 2qql s TYR 356 Cb -0.21 -1.69 0.13 0.00 -0.40 0.00 0.00 41.96 39.79 2qql s TYR 356 CO -0.03 0.53 1.00 1.52 -1.57 0.00 0.00 175.55 177.00 2qql s TYR 357 N -1.26 -0.38 0.21 2.71 1.13 -1.18 -1.07 117.35 117.50 2qql s TYR 357 Ca 0.25 0.68 -0.29 0.00 -1.41 0.00 0.00 57.07 56.30 2qql s TYR 357 Cb -0.12 0.44 -0.08 0.00 -1.10 0.00 0.00 41.96 41.10 2qql s TYR 357 CO 0.17 -0.33 0.89 0.08 -2.51 0.00 0.00 175.55 173.85 2qql s VAL 358 N -0.99 4.19 -0.10 -3.49 1.01 -1.14 -0.44 120.40 119.44 2qql s VAL 358 Ca -0.01 1.98 0.18 0.00 0.00 0.00 0.00 61.98 64.12 2qql s VAL 358 Cb -0.01 -4.27 -0.26 0.00 0.00 0.00 0.00 36.38 31.83 2qql s VAL 358 CO 0.01 0.49 0.25 0.29 0.00 0.00 0.00 175.10 176.14 2qql n LYS 359 N 1.64 0.81 -3.46 2.72 5.02 0.10 -2.16 118.16 122.83 2qql n LYS 359 Ca -0.03 -0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 2qql n LYS 359 Cb 0.48 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2qql n LYS 359 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qql s SER 360 N -4.73 -0.59 0.15 4.39 1.04 -0.94 -1.10 113.70 111.92 2qql s SER 360 Ca -0.08 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 2qql s SER 360 Cb 0.09 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.84 2qql s SER 360 CO 0.78 -0.83 0.55 -0.72 0.98 0.00 0.00 173.24 174.00 2qql s TYR 361 N -2.83 -0.46 0.25 5.02 -0.85 -0.68 0.14 117.35 117.94 2qql s TYR 361 Ca -0.03 0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.83 2qql s TYR 361 Cb -0.01 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2qql s TYR 361 CO -0.05 -0.81 0.11 0.15 -1.52 0.00 0.00 175.55 173.44 2qql s LYS 362 N -3.71 2.68 -0.05 -3.49 1.02 0.14 0.26 119.74 116.59 2qql s LYS 362 Ca 0.01 -1.17 0.04 0.00 0.02 0.00 0.00 55.97 54.88 2qql s LYS 362 Cb -0.00 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2qql s LYS 362 CO -0.12 0.40 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.36 2qql s LEU 363 N -3.69 2.55 -0.04 3.17 2.96 -1.26 -0.84 118.68 121.53 2qql s LEU 363 Ca 0.32 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2qql s LEU 363 Cb -0.08 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.14 2qql s LEU 363 CO 0.23 0.31 0.02 -0.70 -1.32 0.00 0.00 176.35 174.89 2qql s GLU 364 N -0.54 0.23 0.08 1.98 2.12 0.44 -0.90 118.70 122.11 2qql s GLU 364 Ca 0.07 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.61 2qql s GLU 364 Cb -0.11 -0.55 -0.03 0.00 0.26 0.00 0.00 34.13 33.69 2qql s GLU 364 CO 0.01 -0.22 -0.10 0.14 -0.54 0.00 0.00 175.26 174.56 2qql s VAL 365 N 1.48 0.84 -0.06 3.70 -7.23 0.08 0.19 120.40 119.41 2qql s VAL 365 Ca -0.03 -1.47 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 2qql s VAL 365 Cb -0.13 -1.15 0.06 0.00 0.56 0.00 0.00 36.38 35.72 2qql s VAL 365 CO -0.03 -0.49 0.59 -0.55 -0.31 0.00 0.00 175.10 174.31 2qql s SER 366 N -2.17 -0.55 0.23 4.85 0.15 -0.79 -0.48 113.70 114.94 2qql s SER 366 Ca 0.01 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.51 2qql s SER 366 Cb -0.05 0.54 0.35 0.00 -1.71 0.00 0.00 66.02 65.16 2qql s SER 366 CO 0.00 -0.54 1.41 0.71 1.20 0.00 0.00 173.24 176.02 2qql h THR 367 N 3.29 0.00 0.00 6.45 1.35 -1.87 -0.39 112.91 121.74 2qql h THR 367 Ca -0.28 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2qql h THR 367 Cb 1.15 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2qql h THR 367 CO 0.37 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.18 2qql n ASN 368 N -2.51 0.14 0.00 5.36 0.23 -1.26 -4.70 115.26 112.52 2qql n ASN 368 Ca 0.03 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.05 2qql n ASN 368 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2qql n ASN 368 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qql n GLY 369 N -0.01 0.61 0.20 4.83 0.00 -1.26 -4.78 105.19 104.76 2qql n GLY 369 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2qql n GLY 369 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qql n GLU 370 N -2.07 0.13 -3.73 1.61 2.13 -1.26 -4.99 120.64 112.45 2qql n GLU 370 Ca 0.00 0.03 -0.37 0.00 0.66 0.00 0.00 57.16 57.49 2qql n GLU 370 Cb 0.05 -1.02 -0.11 0.00 0.27 0.00 0.00 31.44 30.63 2qql n GLU 370 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2qql s ASP 371 N -4.71 5.70 0.10 4.31 1.01 -1.26 -5.08 116.67 116.74 2qql s ASP 371 Ca -0.07 -0.03 0.10 0.00 0.71 0.00 0.00 52.55 53.26 2qql s ASP 371 Cb 0.02 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2qql s ASP 371 CO 0.11 0.02 -0.26 0.26 0.21 0.00 0.00 175.17 175.52 2qql s TRP 372 N 1.32 2.22 -0.07 4.23 0.52 -1.26 -4.29 118.94 121.60 2qql s TRP 372 Ca 0.06 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.82 2qql s TRP 372 Cb -0.15 -1.25 0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2qql s TRP 372 CO 0.06 0.25 -0.16 1.41 0.02 0.00 0.00 176.95 178.53 2qql s MET 373 N -1.77 2.10 -0.22 4.98 -2.45 0.36 -4.94 119.30 117.37 2qql s MET 373 Ca 0.12 -0.56 -0.22 0.00 -1.25 0.00 0.00 55.69 53.78 2qql s MET 373 Cb -0.10 -1.68 -0.02 0.00 1.25 0.00 0.00 34.83 34.29 2qql s MET 373 CO 0.04 0.08 0.72 0.08 1.05 0.00 0.00 175.02 176.99 2qql s VAL 374 N 0.54 4.94 0.20 10.11 1.01 -1.26 -0.74 120.40 135.20 2qql s VAL 374 Ca -0.16 1.35 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 2qql s VAL 374 Cb -0.16 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 2qql s VAL 374 CO 0.05 0.03 1.37 0.00 0.00 0.00 0.00 175.10 176.55 2qql n TYR 375 N 5.49 1.91 -4.11 5.22 9.36 -0.08 -4.89 117.16 130.07 2qql n TYR 375 Ca 0.02 0.48 -0.26 0.00 3.32 0.00 0.00 57.90 61.46 2qql n TYR 375 Cb 0.49 -2.42 -0.06 0.00 -0.63 0.00 0.00 39.34 36.72 2qql n TYR 375 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2qql s ARG 376 N -0.13 2.80 -0.14 2.98 1.81 -1.26 -1.92 118.95 123.09 2qql s ARG 376 Ca 0.72 -0.93 -0.02 0.00 -1.72 0.00 0.00 55.73 53.78 2qql s ARG 376 Cb -0.73 -2.58 0.05 0.00 -0.45 0.00 0.00 34.95 31.24 2qql s ARG 376 CO 0.48 0.47 0.03 -1.58 -0.68 0.00 0.00 175.30 174.02 2qql s HIS 377 N -1.77 0.81 0.00 -0.53 5.65 -1.07 -4.71 115.29 113.67 2qql s HIS 377 Ca 0.30 -0.53 0.00 0.00 0.25 0.00 0.00 55.06 55.08 2qql s HIS 377 Cb -0.10 -0.91 0.00 0.00 -1.18 0.00 0.00 32.58 30.39 2qql s HIS 377 CO 0.23 -0.49 0.00 0.41 -0.65 0.00 0.00 174.74 174.24 2qql n GLY 378 N 5.11 1.49 0.08 1.59 0.00 -1.26 -4.11 105.19 108.08 2qql n GLY 378 Ca -0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2qql n GLY 378 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qql h LYS 379 N 0.00 -0.19 -7.80 1.61 1.79 -2.04 -3.46 116.57 106.49 2qql h LYS 379 Ca 0.00 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 58.04 2qql h LYS 379 Cb 0.00 0.04 0.16 0.00 -1.58 0.00 0.00 32.23 30.85 2qql h LYS 379 CO 0.00 -0.12 0.41 0.54 -1.08 0.00 0.00 179.45 179.20 2qql s ASN 380 N -2.31 3.19 1.19 0.86 6.03 -1.26 -4.98 114.94 117.66 2qql s ASN 380 Ca -0.03 0.25 -0.16 0.00 -1.03 0.00 0.00 52.86 51.89 2qql s ASN 380 Cb 0.00 -0.31 0.24 0.00 -3.03 0.00 0.00 41.25 38.15 2qql s ASN 380 CO 0.08 -2.69 0.62 1.41 -2.03 0.00 0.00 177.10 174.50 2qql n HIS 381 N -3.72 -1.66 -3.75 1.54 8.25 -1.26 -2.60 115.22 112.01 2qql n HIS 381 Ca 0.15 -0.13 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 2qql n HIS 381 Cb 0.59 -1.60 -0.12 0.00 1.12 0.00 0.00 29.99 29.98 2qql n HIS 381 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2qql s LYS 382 N -4.07 2.76 -0.25 -0.41 2.47 -0.81 -4.18 119.74 115.25 2qql s LYS 382 Ca 0.63 -1.08 -0.24 0.00 -1.56 0.00 0.00 55.97 53.72 2qql s LYS 382 Cb -0.19 -3.43 -0.01 0.00 -1.46 0.00 0.00 37.83 32.74 2qql s LYS 382 CO 0.64 -0.60 0.79 0.08 0.16 0.00 0.00 175.35 176.42 2qql s VAL 383 N 1.43 4.86 -0.15 4.02 1.01 -1.26 -4.39 120.40 125.92 2qql s VAL 383 Ca -0.00 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.22 2qql s VAL 383 Cb -0.19 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2qql s VAL 383 CO 0.03 -0.07 0.55 -0.36 0.00 0.00 0.00 175.10 175.25 2qql s PHE 384 N 2.79 3.45 -0.34 5.22 0.08 0.14 -4.89 117.98 124.43 2qql s PHE 384 Ca 0.33 0.91 -0.29 0.00 0.12 0.00 0.00 56.93 58.00 2qql s PHE 384 Cb -0.15 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 2qql s PHE 384 CO 0.08 0.01 1.32 -0.65 -0.10 0.00 0.00 175.22 175.88 2qql s GLN 385 N 1.21 3.81 0.00 0.44 -1.52 -1.26 -1.69 119.66 120.66 2qql s GLN 385 Ca 0.28 1.12 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 2qql s GLN 385 Cb -0.16 -3.92 0.00 0.00 -0.22 0.00 0.00 33.01 28.71 2qql s GLN 385 CO 0.11 -1.26 0.00 0.00 -0.25 0.00 0.00 175.29 173.89 2qql n ALA 386 N 7.96 0.00 -2.44 6.09 0.00 -0.26 -4.97 120.51 126.90 2qql n ALA 386 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 2qql n ALA 386 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2qql n ALA 386 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qql s ASN 387 N -1.00 5.96 0.00 0.00 -0.87 -0.92 -4.88 114.94 113.24 2qql s ASN 387 Ca 0.00 0.21 0.07 0.00 -1.57 0.00 0.00 52.86 51.57 2qql s ASN 387 Cb 0.00 -1.58 -0.00 0.00 -0.02 0.00 0.00 41.25 39.65 2qql s ASN 387 CO 0.00 -0.55 0.50 0.59 -2.57 0.00 0.00 177.10 175.07 2qql n ASN 388 N -1.91 0.96 -3.41 -1.22 4.13 -1.26 -4.49 115.26 108.05 2qql n ASN 388 Ca -0.00 -0.98 -0.05 0.00 1.68 0.00 0.00 54.58 55.23 2qql n ASN 388 Cb 0.57 0.48 0.01 0.00 -1.54 0.00 0.00 39.78 39.30 2qql n ASN 388 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2qql s ASP 389 N -1.06 -0.07 -0.01 6.41 1.47 -1.26 -5.09 116.67 117.07 2qql s ASP 389 Ca 0.05 -0.71 -0.25 0.00 1.18 0.00 0.00 52.55 52.83 2qql s ASP 389 Cb 0.05 0.60 -0.18 0.00 -0.34 0.00 0.00 42.92 43.06 2qql s ASP 389 CO 0.17 -1.17 1.22 0.00 0.68 0.00 0.00 175.17 176.06 2qql h ALA 390 N 2.00 -0.21 0.17 2.11 0.00 -1.88 -3.30 119.26 118.15 2qql h ALA 390 Ca -0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2qql h ALA 390 Cb 1.23 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2qql h ALA 390 CO 0.33 -0.41 -0.08 1.79 0.00 0.00 0.00 179.25 180.88 2qql h THR 391 N -0.63 0.76 -4.15 0.00 1.35 -1.92 -0.19 112.91 108.13 2qql h THR 391 Ca -0.02 -1.11 -0.55 0.00 -0.55 0.00 0.00 66.41 64.18 2qql h THR 391 Cb 0.47 1.29 0.16 0.00 -1.73 0.00 0.00 68.15 68.34 2qql h THR 391 CO 0.04 0.20 0.44 -1.61 -0.25 0.00 0.00 175.52 174.34 2qql s GLU 392 N -3.29 2.22 -0.11 4.72 2.02 -1.26 -4.73 118.70 118.26 2qql s GLU 392 Ca -0.12 1.93 -0.08 0.00 0.02 0.00 0.00 54.97 56.72 2qql s GLU 392 Cb 0.00 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 2qql s GLU 392 CO 0.44 -1.81 0.16 0.08 0.02 0.00 0.00 175.26 174.14 2qql s VAL 393 N -1.71 5.47 -0.12 2.63 1.01 -1.26 -4.44 120.40 121.98 2qql s VAL 393 Ca 0.78 0.26 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2qql s VAL 393 Cb -0.34 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2qql s VAL 393 CO 0.44 0.61 -0.18 -0.69 0.00 0.00 0.00 175.10 175.27 2qql s VAL 394 N -0.98 1.75 -0.02 2.92 1.01 -0.27 -4.97 120.40 119.84 2qql s VAL 394 Ca 0.15 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2qql s VAL 394 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2qql s VAL 394 CO 0.04 0.49 0.21 -0.22 0.00 0.00 0.00 175.10 175.62 2qql s LEU 395 N 0.88 4.37 -0.17 3.92 2.96 -1.26 -1.01 118.68 128.37 2qql s LEU 395 Ca -0.08 0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2qql s LEU 395 Cb -0.15 -2.55 0.06 0.00 0.50 0.00 0.00 46.19 44.04 2qql s LEU 395 CO -0.01 0.28 0.09 0.20 -1.32 0.00 0.00 176.35 175.59 2qql s ASN 396 N -1.71 2.37 -0.09 3.68 0.01 0.12 -4.98 114.94 114.34 2qql s ASN 396 Ca 0.25 -0.62 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 2qql s ASN 396 Cb -0.13 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 2qql s ASN 396 CO 0.15 -0.35 0.62 -0.54 -1.51 0.00 0.00 177.10 175.47 2qql s LYS 397 N 2.12 4.40 -0.13 -0.60 1.02 -1.26 -1.04 119.74 124.25 2qql s LYS 397 Ca 0.02 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 2qql s LYS 397 Cb -0.16 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2qql s LYS 397 CO -0.09 0.10 1.68 -0.51 -0.92 0.00 0.00 175.35 175.61 2qql s LEU 398 N 0.73 4.09 0.00 3.17 1.43 0.67 -4.88 118.68 123.89 2qql s LEU 398 Ca 0.33 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2qql s LEU 398 Cb -0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2qql s LEU 398 CO 0.15 -1.14 0.00 1.41 0.23 0.00 0.00 176.35 177.01 2qql n HIS 399 N 7.99 0.00 -3.88 0.29 8.25 -1.26 -4.23 115.22 122.38 2qql n HIS 399 Ca 0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.54 2qql n HIS 399 Cb 0.44 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.45 2qql n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qql s ALA 400 N 0.00 -0.27 0.53 -1.41 0.00 -1.26 -5.16 121.76 114.19 2qql s ALA 400 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 2qql s ALA 400 Cb 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 2qql s ALA 400 CO 0.00 -0.26 1.13 -0.35 0.00 0.00 0.00 175.76 176.28 2qql n PRO 401 N 1.13 1.36 -4.57 0.00 -0.04 -1.26 -4.98 135.00 126.64 2qql n PRO 401 Ca -0.21 0.50 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 2qql n PRO 401 Cb 0.57 -2.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 2qql n PRO 401 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qql s LEU 402 N -2.14 1.68 -0.33 1.53 2.96 -0.44 -4.95 118.68 116.99 2qql s LEU 402 Ca 0.70 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 2qql s LEU 402 Cb -0.45 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2qql s LEU 402 CO 0.51 0.03 0.40 -0.22 -1.32 0.00 0.00 176.35 175.75 2qql s LEU 403 N 0.79 4.33 0.00 -0.68 2.96 -1.26 -0.30 118.68 124.51 2qql s LEU 403 Ca -0.11 -0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 2qql s LEU 403 Cb -0.16 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.14 2qql s LEU 403 CO 0.02 -0.34 0.45 1.07 -1.32 0.00 0.00 176.35 176.23 2qql n THR 404 N 5.26 0.00 0.02 3.68 5.66 0.11 -4.36 114.28 124.65 2qql n THR 404 Ca -0.08 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 2qql n THR 404 Cb 0.50 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2qql n THR 404 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2qql n ARG 405 N -0.35 0.00 -3.76 1.09 0.63 -1.07 0.68 116.66 113.88 2qql n ARG 405 Ca -0.04 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.53 2qql n ARG 405 Cb 0.38 -0.29 -0.07 0.00 0.45 0.00 0.00 32.46 32.93 2qql n ARG 405 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2qql s PHE 406 N -2.00 3.48 -0.06 -0.14 0.40 -0.18 -0.87 117.98 118.61 2qql s PHE 406 Ca 0.00 0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.81 2qql s PHE 406 Cb 0.00 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 2qql s PHE 406 CO 0.00 0.43 -0.23 0.08 0.70 0.00 0.00 175.22 176.21 2qql s VAL 407 N -0.09 1.87 -0.11 -0.44 1.01 -0.23 -1.88 120.40 120.53 2qql s VAL 407 Ca 0.11 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2qql s VAL 407 Cb -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2qql s VAL 407 CO 0.01 0.52 -0.16 -0.13 0.00 0.00 0.00 175.10 175.34 2qql s ARG 408 N -0.06 2.30 -0.00 2.72 0.52 0.13 -0.19 118.95 124.38 2qql s ARG 408 Ca -0.05 -0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 54.39 2qql s ARG 408 Cb -0.14 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.33 2qql s ARG 408 CO 0.04 -0.06 0.50 0.42 0.02 0.00 0.00 175.30 176.21 2qql s ILE 409 N 0.98 4.95 -0.31 1.52 -1.09 -0.74 -0.42 121.20 126.10 2qql s ILE 409 Ca -0.06 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 2qql s ILE 409 Cb -0.15 -3.82 0.09 0.00 -1.58 0.00 0.00 42.46 37.01 2qql s ILE 409 CO -0.02 0.50 0.07 -0.13 -1.23 0.00 0.00 174.94 174.13 2qql s ARG 410 N -0.64 0.95 0.39 2.79 0.52 -0.02 -1.61 118.95 121.33 2qql s ARG 410 Ca 0.27 -1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 2qql s ARG 410 Cb -0.17 -2.31 -0.11 0.00 0.52 0.00 0.00 34.95 32.88 2qql s ARG 410 CO 0.15 -0.93 1.42 -2.30 0.02 0.00 0.00 175.30 173.66 2qql n PRO 411 N 4.71 2.43 -0.02 3.54 -0.02 -1.26 -0.69 135.00 143.70 2qql n PRO 411 Ca -0.02 0.86 -0.05 0.00 -2.02 0.00 0.00 63.50 62.27 2qql n PRO 411 Cb 0.42 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 2qql n PRO 411 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qql n GLN 412 N 0.30 0.10 -4.35 -0.52 1.13 0.12 -4.40 117.38 109.77 2qql n GLN 412 Ca 0.03 0.04 -0.19 0.00 -1.94 0.00 0.00 57.00 54.94 2qql n GLN 412 Cb 0.39 -0.67 -0.10 0.00 0.11 0.00 0.00 30.24 29.97 2qql n GLN 412 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qql s THR 413 N -2.09 1.77 0.22 5.09 -4.23 -1.19 -4.79 115.64 110.42 2qql s THR 413 Ca -0.06 -2.16 -0.19 0.00 -1.18 0.00 0.00 61.69 58.09 2qql s THR 413 Cb 0.02 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.88 2qql s THR 413 CO 0.08 -0.54 0.59 -1.66 -0.54 0.00 0.00 174.62 172.55 2qql s TRP 414 N -2.79 -0.15 -0.19 3.99 -2.14 -1.26 0.00 118.94 116.40 2qql s TRP 414 Ca 0.21 -0.21 -0.08 0.00 2.66 0.00 0.00 56.10 58.68 2qql s TRP 414 Cb -0.02 0.49 -0.04 0.00 -3.10 0.00 0.00 33.47 30.80 2qql s TRP 414 CO 0.07 -1.01 0.08 -1.58 -2.66 0.00 0.00 176.95 171.84 2qql s HIS 415 N -3.88 3.26 0.00 1.66 5.65 0.42 -4.80 115.29 117.59 2qql s HIS 415 Ca 0.10 0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.49 2qql s HIS 415 Cb -0.02 -2.11 0.00 0.00 -1.18 0.00 0.00 32.58 29.26 2qql s HIS 415 CO -0.00 0.13 0.00 0.45 -0.65 0.00 0.00 174.74 174.67 2qql n SER 416 N 3.69 0.00 -2.18 9.88 2.88 -1.26 -3.13 113.62 123.49 2qql n SER 416 Ca -0.16 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.29 2qql n SER 416 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2qql n SER 416 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qql n GLY 417 N 0.00 2.63 3.39 0.46 0.00 -1.26 -5.07 105.19 105.35 2qql n GLY 417 Ca 0.00 -1.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 2qql n GLY 417 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qql s ILE 418 N -2.67 4.92 0.02 -0.61 1.01 -1.26 -3.45 121.20 119.16 2qql s ILE 418 Ca 0.18 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.43 2qql s ILE 418 Cb -0.00 -4.58 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2qql s ILE 418 CO 0.13 -1.24 0.01 0.00 0.00 0.00 0.00 174.94 173.83 2qql s ALA 419 N 2.28 3.31 -0.20 9.38 0.00 -1.26 -3.97 121.76 131.30 2qql s ALA 419 Ca 0.20 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 2qql s ALA 419 Cb -0.15 -1.33 0.08 0.00 0.00 0.00 0.00 23.12 21.72 2qql s ALA 419 CO -0.01 0.67 0.45 -1.17 0.00 0.00 0.00 175.76 175.69 2qql s LEU 420 N -1.76 -0.47 0.11 0.00 2.96 -0.73 -2.90 118.68 115.90 2qql s LEU 420 Ca 0.21 1.02 0.07 0.00 -0.22 0.00 0.00 54.13 55.22 2qql s LEU 420 Cb -0.12 1.47 -0.04 0.00 0.50 0.00 0.00 46.19 48.01 2qql s LEU 420 CO 0.13 -0.22 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.63 2qql s ARG 421 N 2.06 1.09 -0.20 1.98 0.52 -0.99 -2.06 118.95 121.34 2qql s ARG 421 Ca -0.06 -1.20 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2qql s ARG 421 Cb -0.10 -1.20 0.06 0.00 0.52 0.00 0.00 34.95 34.23 2qql s ARG 421 CO -0.14 0.26 0.53 -1.17 0.02 0.00 0.00 175.30 174.80 2qql s LEU 422 N -2.14 -0.13 0.06 2.53 2.96 0.13 -1.38 118.68 120.70 2qql s LEU 422 Ca 0.08 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.13 2qql s LEU 422 Cb -0.08 1.80 -0.03 0.00 0.50 0.00 0.00 46.19 48.38 2qql s LEU 422 CO 0.04 -0.19 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.02 2qql s GLU 423 N 0.61 1.03 -0.07 1.98 2.56 0.22 -2.04 118.70 123.00 2qql s GLU 423 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 54.97 54.07 2qql s GLU 423 Cb -0.05 -1.10 -0.03 0.00 2.00 0.00 0.00 34.13 34.95 2qql s GLU 423 CO -0.04 0.27 -0.10 -0.51 -0.56 0.00 0.00 175.26 174.32 2qql s LEU 424 N -1.37 2.97 0.06 2.70 1.43 -1.26 -1.87 118.68 121.33 2qql s LEU 424 Ca 0.03 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2qql s LEU 424 Cb -0.09 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2qql s LEU 424 CO 0.02 0.33 -0.22 -0.36 0.23 0.00 0.00 176.35 176.35 2qql s PHE 425 N -0.65 1.91 0.00 0.29 0.40 -0.22 -0.07 117.98 119.65 2qql s PHE 425 Ca 0.10 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2qql s PHE 425 Cb -0.11 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.29 2qql s PHE 425 CO 0.01 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.47 2qql n GLY 426 N 1.68 -0.71 3.85 4.36 0.00 0.18 -0.09 105.19 114.47 2qql n GLY 426 Ca -0.17 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2qql n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qql s ARG 428 N -2.01 4.20 0.58 0.00 1.81 -1.26 -1.45 118.95 120.82 2qql s ARG 428 Ca 0.30 0.72 0.28 0.00 -1.72 0.00 0.00 55.73 55.31 2qql s ARG 428 Cb -0.00 -3.25 1.51 0.00 -0.45 0.00 0.00 34.95 32.75 2qql s ARG 428 CO -0.02 0.61 1.96 -0.24 -0.68 0.00 0.00 175.30 176.93 2qql h VAL 429 N 3.63 0.45 0.00 3.52 3.04 -1.94 0.69 116.25 125.65 2qql h VAL 429 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2qql h VAL 429 Cb 1.21 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2qql h VAL 429 CO 0.64 0.00 0.00 1.07 -1.01 0.00 0.00 177.57 178.27 2qql n THR 430 N -3.86 0.16 0.42 3.17 5.66 -1.26 -3.63 114.28 114.95 2qql n THR 430 Ca 0.07 0.04 0.12 0.00 -3.05 0.00 0.00 64.05 61.24 2qql n THR 430 Cb 0.59 -0.65 0.18 0.00 -1.55 0.00 0.00 70.33 68.91 2qql n THR 430 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2qql h ASP 431 N 0.00 0.00 -4.20 1.09 3.32 -1.19 -3.44 116.42 111.99 2qql h ASP 431 Ca 0.00 -0.09 -0.53 0.00 0.02 0.00 0.00 57.03 56.43 2qql h ASP 431 Cb 0.15 0.00 0.18 0.00 0.22 0.00 0.00 39.33 39.88 2qql h ASP 431 CO 0.00 0.04 0.35 0.00 -1.72 0.00 0.00 179.24 177.91 2qql s ALA 432 N -3.20 1.88 0.29 3.45 0.00 -1.24 -4.46 121.76 118.47 2qql s ALA 432 Ca 0.06 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 2qql s ALA 432 Cb 0.11 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2qql s ALA 432 CO 0.70 -2.23 0.83 -1.25 0.00 0.00 0.00 175.76 173.81 2qql s PRO 433 N -4.12 4.36 -0.84 0.00 0.04 -1.26 -3.94 135.00 129.24 2qql s PRO 433 Ca 0.73 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 2qql s PRO 433 Cb -0.29 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2qql s PRO 433 CO 0.50 0.29 0.60 0.00 0.04 0.00 0.00 177.00 178.44 2qql n SER 435 N -2.62 0.73 -4.77 0.00 2.88 -1.24 -4.37 113.62 104.24 2qql n SER 435 Ca -0.32 -2.01 -0.39 0.00 -1.33 0.00 0.00 58.87 54.82 2qql n SER 435 Cb 0.69 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2qql n SER 435 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2qql s ASN 436 N -2.05 6.18 0.08 -3.46 0.01 -0.66 -4.33 114.94 110.70 2qql s ASN 436 Ca 0.28 2.68 -0.31 0.00 -0.71 0.00 0.00 52.86 54.80 2qql s ASN 436 Cb 0.33 -2.64 -0.06 0.00 0.41 0.00 0.00 41.25 39.29 2qql s ASN 436 CO -0.13 -0.94 1.24 -0.04 -1.51 0.00 0.00 177.10 175.71 2qql s MET 437 N -2.34 4.41 0.00 -0.60 -1.94 -1.26 -1.60 119.30 115.97 2qql s MET 437 Ca 0.59 1.84 0.23 0.00 -1.71 0.00 0.00 55.69 56.64 2qql s MET 437 Cb -0.38 -3.32 0.51 0.00 2.01 0.00 0.00 34.83 33.64 2qql s MET 437 CO 0.49 -0.28 1.44 1.28 -0.01 0.00 0.00 175.02 177.94 2qql n LEU 438 N 3.81 2.74 0.00 -0.03 4.77 0.14 -4.92 117.00 123.51 2qql n LEU 438 Ca 0.09 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 2qql n LEU 438 Cb 0.45 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2qql n LEU 438 CO 0.56 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 2qql n GLY 439 N 1.35 1.00 0.23 -0.72 0.00 -1.26 -4.42 105.19 101.37 2qql n GLY 439 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 2qql n GLY 439 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qql h MET 440 N 0.00 0.63 -0.08 1.61 2.86 -1.87 0.16 114.93 118.25 2qql h MET 440 Ca 0.00 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2qql h MET 440 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2qql h MET 440 CO 0.00 0.42 -0.19 1.25 1.06 0.00 0.00 176.91 179.45 2qql h LEU 441 N 0.65 0.30 -0.05 1.22 6.46 -1.84 -3.36 115.31 118.70 2qql h LEU 441 Ca 0.23 -0.58 -0.04 0.00 -0.12 0.00 0.00 57.88 57.37 2qql h LEU 441 Cb 0.05 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2qql h LEU 441 CO -0.11 0.83 -0.12 0.77 -0.62 0.00 0.00 178.44 179.18 2qql h SER 442 N -0.22 0.20 0.00 1.25 4.64 -1.76 -3.34 113.55 114.32 2qql h SER 442 Ca -0.00 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2qql h SER 442 Cb 0.79 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2qql h SER 442 CO 0.04 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 2qql n GLY 443 N 0.50 1.19 0.18 -0.77 0.00 0.53 -1.76 105.19 105.06 2qql n GLY 443 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 2qql n GLY 443 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qql h LEU 444 N 0.00 0.00 -9.03 0.99 3.38 -1.85 -3.37 115.31 105.43 2qql h LEU 444 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2qql h LEU 444 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2qql h LEU 444 CO 0.00 0.39 0.52 -0.63 0.09 0.00 0.00 178.44 178.82 2qql s ILE 445 N -3.48 4.80 0.74 1.22 1.01 -1.11 -4.96 121.20 119.42 2qql s ILE 445 Ca 0.01 1.60 -0.11 0.00 0.00 0.00 0.00 60.65 62.15 2qql s ILE 445 Cb 0.10 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.45 2qql s ILE 445 CO 0.69 -0.12 1.09 0.00 0.00 0.00 0.00 174.94 176.61 2qql s ALA 446 N 2.93 2.63 0.26 9.38 0.00 -1.26 -4.73 121.76 130.97 2qql s ALA 446 Ca 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2qql s ALA 446 Cb -0.15 -3.07 0.48 0.00 0.00 0.00 0.00 23.12 20.38 2qql s ALA 446 CO 0.08 -1.37 1.81 -0.44 0.00 0.00 0.00 175.76 175.84 2qql h ASP 447 N -0.83 0.76 -0.05 0.00 3.32 -1.94 -2.04 116.42 115.64 2qql h ASP 447 Ca -0.46 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.66 2qql h ASP 447 Cb 1.26 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2qql h ASP 447 CO 0.62 0.41 0.09 0.77 -1.72 0.00 0.00 179.24 179.41 2qql h SER 448 N 0.86 0.00 -0.11 6.45 4.64 -1.99 -0.54 113.55 122.86 2qql h SER 448 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2qql h SER 448 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2qql h SER 448 CO -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 2qql n GLN 449 N -3.54 1.82 -3.78 4.77 6.02 -0.77 -4.82 117.38 117.08 2qql n GLN 449 Ca -0.02 -1.21 -0.37 0.00 -0.01 0.00 0.00 57.00 55.39 2qql n GLN 449 Cb 0.18 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 2qql n GLN 449 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qql s ILE 450 N -1.88 3.54 0.26 5.09 1.01 -0.21 -0.34 121.20 128.68 2qql s ILE 450 Ca 0.35 -1.39 0.09 0.00 0.00 0.00 0.00 60.65 59.70 2qql s ILE 450 Cb 0.20 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2qql s ILE 450 CO 0.30 -0.28 -0.13 -0.94 0.00 0.00 0.00 174.94 173.88 2qql s SER 451 N 1.52 3.04 0.05 3.58 1.04 -0.59 -4.83 113.70 117.52 2qql s SER 451 Ca -0.00 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.26 2qql s SER 451 Cb -0.21 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.70 2qql s SER 451 CO 0.01 -0.16 0.15 0.00 0.98 0.00 0.00 173.24 174.22 2qql s ALA 452 N -2.81 -0.21 0.04 5.32 0.00 -1.26 0.09 121.76 122.93 2qql s ALA 452 Ca 0.27 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 2qql s ALA 452 Cb -0.00 0.31 -0.13 0.00 0.00 0.00 0.00 23.12 23.29 2qql s ALA 452 CO 0.11 -0.38 1.35 0.66 0.00 0.00 0.00 175.76 177.51 2qql h SER 453 N 3.36 -0.73 -0.26 0.00 4.64 -1.29 -3.45 113.55 115.83 2qql h SER 453 Ca -0.33 0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.33 2qql h SER 453 Cb 1.19 0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 63.34 2qql h SER 453 CO 0.51 -0.52 -0.51 -0.94 -0.87 0.00 0.00 176.83 174.51 2qql s SER 454 N -3.28 4.14 -0.09 4.97 1.04 -1.26 -5.01 113.70 114.21 2qql s SER 454 Ca -0.13 -1.69 -0.22 0.00 0.48 0.00 0.00 55.95 54.39 2qql s SER 454 Cb 0.01 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.81 2qql s SER 454 CO 0.38 -0.90 0.53 0.42 0.98 0.00 0.00 173.24 174.65 2qql s THR 455 N -2.90 0.02 0.07 2.02 -4.23 -1.26 -4.67 115.64 104.69 2qql s THR 455 Ca 0.03 -0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 2qql s THR 455 Cb 0.01 -0.81 -0.28 0.00 1.34 0.00 0.00 72.50 72.76 2qql s THR 455 CO 0.01 -0.08 1.13 0.06 -0.54 0.00 0.00 174.62 175.21 2qql h GLN 456 N 4.01 0.54 -6.68 3.99 3.07 -1.34 -3.33 115.11 115.38 2qql h GLN 456 Ca -0.28 -0.74 -0.50 0.00 0.09 0.00 0.00 58.65 57.22 2qql h GLN 456 Cb 1.16 0.25 -0.02 0.00 0.08 0.00 0.00 27.48 28.95 2qql h GLN 456 CO 0.31 1.33 0.34 -2.00 0.09 0.00 0.00 178.83 178.90 2qql s GLU 457 N -2.96 4.79 0.16 0.06 -6.30 -1.26 -4.83 118.70 108.36 2qql s GLU 457 Ca -0.08 1.45 -0.31 0.00 -2.50 0.00 0.00 54.97 53.53 2qql s GLU 457 Cb 0.06 -3.31 -0.07 0.00 0.00 0.00 0.00 34.13 30.81 2qql s GLU 457 CO 0.92 0.43 1.54 1.88 0.02 0.00 0.00 175.26 180.05 2qql h TYR 458 N 4.61 -1.86 -3.70 5.30 -1.99 -2.01 -3.36 116.97 113.96 2qql h TYR 458 Ca -0.44 0.12 -0.68 0.00 2.00 0.00 0.00 58.73 59.72 2qql h TYR 458 Cb 1.20 0.93 -0.31 0.00 2.00 0.00 0.00 36.73 40.55 2qql h TYR 458 CO 0.62 -0.39 -0.69 -1.17 -0.00 0.00 0.00 178.16 176.54 2qql s LEU 459 N -10.48 3.84 -0.20 3.88 2.96 -1.26 -5.04 118.68 112.37 2qql s LEU 459 Ca -0.12 -1.14 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 2qql s LEU 459 Cb 0.11 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 45.09 2qql s LEU 459 CO 0.62 -0.24 -0.17 0.86 -1.32 0.00 0.00 176.35 176.09 2qql s TRP 460 N 1.31 2.90 -0.09 5.38 -0.00 -1.26 -5.07 118.94 122.12 2qql s TRP 460 Ca -0.03 -1.83 -0.31 0.00 -0.00 0.00 0.00 56.10 53.93 2qql s TRP 460 Cb -0.19 -1.92 -0.09 0.00 -0.00 0.00 0.00 33.47 31.28 2qql s TRP 460 CO -0.01 -0.83 2.05 -1.13 -0.00 0.00 0.00 176.95 177.03 2qql n SER 461 N 4.57 3.64 0.28 5.86 3.41 -1.26 -4.87 113.62 125.25 2qql n SER 461 Ca -0.19 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 2qql n SER 461 Cb 0.48 -1.49 0.80 0.00 -0.26 0.00 0.00 64.21 63.74 2qql n SER 461 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qql h PRO 462 N 11.78 0.00 0.00 4.33 0.11 -1.88 -2.08 132.00 144.26 2qql h PRO 462 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qql h PRO 462 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qql h PRO 462 CO 0.95 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 179.19 2qql n SER 463 N -4.06 0.34 0.33 -2.05 7.64 -1.26 -2.28 113.62 112.29 2qql n SER 463 Ca -0.03 0.60 0.21 0.00 1.01 0.00 0.00 58.87 60.66 2qql n SER 463 Cb 0.11 -0.66 1.15 0.00 -1.01 0.00 0.00 64.21 63.79 2qql n SER 463 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qql h ALA 464 N 2.30 1.13 -0.17 -0.43 0.00 -1.72 -2.80 119.26 117.56 2qql h ALA 464 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qql h ALA 464 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qql h ALA 464 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2qql n ALA 465 N -2.12 2.52 -2.69 0.00 0.00 -0.96 -2.51 120.51 114.75 2qql n ALA 465 Ca -0.03 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2qql n ALA 465 Cb 0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2qql n ALA 465 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qql s ARG 466 N -1.78 4.41 0.09 0.00 0.52 -1.06 -1.35 118.95 119.79 2qql s ARG 466 Ca 0.30 1.38 -0.35 0.00 -0.52 0.00 0.00 55.73 56.54 2qql s ARG 466 Cb 0.16 -3.55 -0.18 0.00 0.52 0.00 0.00 34.95 31.90 2qql s ARG 466 CO 0.24 -0.33 0.95 -0.11 0.02 0.00 0.00 175.30 176.07 2qql n LEU 467 N 5.08 0.01 0.00 2.53 7.94 -0.84 -2.29 117.00 129.42 2qql n LEU 467 Ca 0.09 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 2qql n LEU 467 Cb 0.49 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.44 2qql n LEU 467 CO 0.52 -2.05 0.00 0.52 -1.11 0.00 0.00 177.39 175.27 2qql n VAL 468 N 1.14 0.00 0.13 1.96 0.31 -1.26 -4.28 118.33 116.34 2qql n VAL 468 Ca 0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.28 2qql n VAL 468 Cb 0.16 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.94 2qql n VAL 468 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2qql h SER 469 N 0.00 0.75 -2.32 4.52 4.64 -1.87 -3.45 113.55 115.82 2qql h SER 469 Ca 0.00 -0.83 -0.61 0.00 -0.47 0.00 0.00 61.79 59.88 2qql h SER 469 Cb 0.00 -0.25 0.07 0.00 -0.31 0.00 0.00 62.40 61.92 2qql h SER 469 CO 0.00 1.66 0.59 -0.24 -0.87 0.00 0.00 176.83 177.97 2qql n SER 470 N -3.67 2.49 0.27 4.97 2.88 -0.97 -4.86 113.62 114.73 2qql n SER 470 Ca -0.16 1.12 0.16 0.00 -1.33 0.00 0.00 58.87 58.66 2qql n SER 470 Cb 1.09 -1.36 0.70 0.00 -0.75 0.00 0.00 64.21 63.89 2qql n SER 470 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2qql h ARG 471 N 4.61 0.00 0.00 -1.46 2.47 -1.86 -3.43 114.38 114.71 2qql h ARG 471 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2qql h ARG 471 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2qql h ARG 471 CO 0.79 0.06 0.00 -1.13 0.56 0.00 0.00 179.97 180.25 2qql n SER 472 N -3.22 0.00 0.00 7.04 3.41 -1.26 -4.46 113.62 115.13 2qql n SER 472 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qql n SER 472 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2qql n SER 472 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qql n GLY 473 N 1.78 3.30 3.63 5.00 0.00 -1.04 0.14 105.19 117.99 2qql n GLY 473 Ca 0.00 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2qql n GLY 473 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qql s TRP 474 N -2.00 3.24 -0.09 1.61 -0.00 0.12 -4.69 118.94 117.14 2qql s TRP 474 Ca 0.00 1.08 0.03 0.00 -0.00 0.00 0.00 56.10 57.21 2qql s TRP 474 Cb 0.00 -3.28 -0.02 0.00 -0.00 0.00 0.00 33.47 30.18 2qql s TRP 474 CO 0.00 -0.55 -0.18 -0.06 -0.00 0.00 0.00 176.95 176.17 2qql s PHE 475 N 3.11 2.66 0.98 5.86 0.40 -1.26 -1.20 117.98 128.52 2qql s PHE 475 Ca 0.37 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.98 2qql s PHE 475 Cb -0.14 -1.71 0.20 0.00 0.51 0.00 0.00 43.02 41.88 2qql s PHE 475 CO 0.11 -0.12 1.27 -1.25 0.70 0.00 0.00 175.22 175.92 2qql s PRO 476 N -0.08 0.53 0.01 0.24 0.04 -1.26 -1.47 135.00 133.02 2qql s PRO 476 Ca -0.04 -0.27 -0.25 0.00 0.04 0.00 0.00 61.00 60.48 2qql s PRO 476 Cb -0.14 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 2qql s PRO 476 CO 0.04 -2.51 1.33 -0.09 0.04 0.00 0.00 177.00 175.81 2qql h ARG 477 N -1.71 -0.22 -4.52 4.56 2.43 -1.84 -3.23 114.38 109.85 2qql h ARG 477 Ca -0.45 0.02 -0.72 0.00 -0.81 0.00 0.00 59.98 58.02 2qql h ARG 477 Cb 1.26 0.05 -0.22 0.00 -0.42 0.00 0.00 29.97 30.64 2qql h ARG 477 CO 0.42 0.10 -0.45 0.42 -1.51 0.00 0.00 179.97 178.94 2qql s ILE 478 N -4.80 5.02 -1.71 1.20 1.01 -1.26 -4.74 121.20 115.92 2qql s ILE 478 Ca -0.15 -0.76 0.24 0.00 0.00 0.00 0.00 60.65 59.99 2qql s ILE 478 Cb 0.03 -3.81 0.55 0.00 0.01 0.00 0.00 42.46 39.24 2qql s ILE 478 CO 0.60 -0.30 1.80 -2.65 0.00 0.00 0.00 174.94 174.39 2qql n PRO 479 N 5.11 0.55 -3.49 2.79 -0.02 -1.22 -3.52 135.00 135.20 2qql n PRO 479 Ca -0.11 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.99 2qql n PRO 479 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2qql n PRO 479 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qql s GLN 480 N -2.29 3.68 0.52 -0.52 -1.52 -1.26 0.22 119.66 118.49 2qql s GLN 480 Ca 0.29 -3.17 0.08 0.00 -1.95 0.00 0.00 55.36 50.61 2qql s GLN 480 Cb 0.16 -4.24 0.05 0.00 -0.22 0.00 0.00 33.01 28.76 2qql s GLN 480 CO 0.32 -1.25 0.71 0.00 -0.25 0.00 0.00 175.29 174.82 2qql s ALA 481 N -1.16 4.50 0.02 6.09 0.00 -1.23 -5.09 121.76 124.89 2qql s ALA 481 Ca 0.28 -1.86 -0.25 0.00 0.00 0.00 0.00 51.96 50.13 2qql s ALA 481 Cb -0.09 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 2qql s ALA 481 CO -0.10 -0.66 0.78 -1.14 0.00 0.00 0.00 175.76 174.64 2qql s GLN 482 N -4.58 4.49 0.60 0.00 0.74 -1.26 -5.02 119.66 114.64 2qql s GLN 482 Ca 0.59 1.07 -0.19 0.00 0.05 0.00 0.00 55.36 56.88 2qql s GLN 482 Cb -0.08 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 2qql s GLN 482 CO 0.37 0.20 1.13 -2.30 -0.55 0.00 0.00 175.29 174.13 2qql n PRO 483 N 3.15 1.10 -0.53 1.67 -0.02 -1.26 -1.90 135.00 137.20 2qql n PRO 483 Ca -0.01 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2qql n PRO 483 Cb 0.51 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2qql n PRO 483 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qql n GLY 484 N 1.09 0.91 0.14 -1.23 0.00 -1.22 -4.83 105.19 100.05 2qql n GLY 484 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2qql n GLY 484 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qql h GLU 485 N 1.49 0.39 -6.10 1.61 4.81 -1.69 -3.47 114.58 111.62 2qql h GLU 485 Ca 0.00 -0.66 -0.53 0.00 -0.13 0.00 0.00 59.36 58.04 2qql h GLU 485 Cb 0.00 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2qql h GLU 485 CO 0.00 1.30 -0.44 -1.21 -0.73 0.00 0.00 179.01 177.94 2qql s GLU 486 N -2.58 3.45 -0.06 1.92 0.41 -1.26 -4.93 118.70 115.65 2qql s GLU 486 Ca -0.15 -0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 2qql s GLU 486 Cb 0.05 -2.93 0.09 0.00 -1.78 0.00 0.00 34.13 29.56 2qql s GLU 486 CO 0.85 0.48 0.79 1.67 -0.49 0.00 0.00 175.26 178.57 2qql s TRP 487 N -1.80 -0.53 -0.01 1.61 1.48 -1.26 -4.12 118.94 114.30 2qql s TRP 487 Ca 0.35 0.82 0.03 0.00 -1.06 0.00 0.00 56.10 56.24 2qql s TRP 487 Cb -0.11 0.45 -0.03 0.00 -1.16 0.00 0.00 33.47 32.62 2qql s TRP 487 CO 0.29 -0.55 -0.07 -1.17 -4.06 0.00 0.00 176.95 171.39 2qql s LEU 488 N -1.43 3.13 -0.01 -4.66 2.96 -0.77 -0.71 118.68 117.19 2qql s LEU 488 Ca -0.06 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2qql s LEU 488 Cb -0.00 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2qql s LEU 488 CO 0.04 0.30 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.69 2qql s GLN 489 N -1.27 0.80 -0.15 1.98 0.74 0.11 -1.16 119.66 120.71 2qql s GLN 489 Ca 0.16 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.22 2qql s GLN 489 Cb -0.11 -0.77 0.02 0.00 1.10 0.00 0.00 33.01 33.25 2qql s GLN 489 CO 0.06 0.21 -0.17 0.08 -0.55 0.00 0.00 175.29 174.92 2qql s VAL 490 N -0.24 1.75 -0.53 1.34 1.01 0.30 -1.53 120.40 122.49 2qql s VAL 490 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2qql s VAL 490 Cb -0.04 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.80 2qql s VAL 490 CO -0.00 0.49 0.70 -0.62 0.00 0.00 0.00 175.10 175.67 2qql s ASP 491 N 1.24 6.24 0.55 3.32 -1.08 0.54 -1.72 116.67 125.77 2qql s ASP 491 Ca 0.01 -0.86 0.34 0.00 -0.52 0.00 0.00 52.55 51.51 2qql s ASP 491 Cb -0.14 -2.32 1.46 0.00 -1.46 0.00 0.00 42.92 40.46 2qql s ASP 491 CO -0.08 -1.00 2.02 -0.07 0.52 0.00 0.00 175.17 176.56 2qql h LEU 492 N 10.03 0.00 0.00 -1.34 3.38 -0.97 -3.45 115.31 122.97 2qql h LEU 492 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qql h LEU 492 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2qql h LEU 492 CO 1.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2qql n GLY 493 N -0.13 3.14 3.29 0.83 0.00 -1.26 -4.98 105.19 106.10 2qql n GLY 493 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2qql n GLY 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qql s THR 494 N -2.95 0.09 -0.10 2.61 -4.23 -1.26 -5.12 115.64 104.69 2qql s THR 494 Ca 0.00 -1.20 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 2qql s THR 494 Cb 0.00 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 2qql s THR 494 CO 0.00 -0.43 1.36 -2.16 -0.54 0.00 0.00 174.62 172.85 2qql s PRO 495 N -3.91 4.25 0.38 3.99 0.04 -1.26 -4.50 135.00 133.99 2qql s PRO 495 Ca 0.11 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2qql s PRO 495 Cb 0.04 -3.74 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 2qql s PRO 495 CO -0.06 -0.67 0.01 0.15 0.04 0.00 0.00 177.00 176.47 2qql s LYS 496 N 3.22 1.98 -0.31 4.56 -0.14 -0.38 -4.40 119.74 124.27 2qql s LYS 496 Ca 0.60 -1.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.07 2qql s LYS 496 Cb -0.26 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2qql s LYS 496 CO 0.21 0.03 0.62 0.99 -0.76 0.00 0.00 175.35 176.44 2qql s THR 497 N -2.62 4.94 -0.15 2.17 2.01 0.19 -0.76 115.64 121.42 2qql s THR 497 Ca 0.35 0.83 -0.06 0.00 0.31 0.00 0.00 61.69 63.11 2qql s THR 497 Cb 0.05 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2qql s THR 497 CO 0.19 -0.14 0.06 -0.69 -0.69 0.00 0.00 174.62 173.34 2qql s VAL 498 N 2.59 4.79 0.00 3.82 1.01 0.03 -0.47 120.40 132.17 2qql s VAL 498 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2qql s VAL 498 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2qql s VAL 498 CO 0.12 0.51 0.09 1.17 0.00 0.00 0.00 175.10 176.99 2qql n LYS 499 N 3.04 2.93 -3.84 2.72 4.81 -0.21 -2.09 118.16 125.52 2qql n LYS 499 Ca -0.17 -0.09 0.02 0.00 -0.87 0.00 0.00 58.31 57.20 2qql n LYS 499 Cb 0.53 -0.46 0.01 0.00 0.02 0.00 0.00 35.03 35.12 2qql n LYS 499 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2qql s GLY 500 N -0.45 -0.23 0.07 3.14 0.00 -0.99 -1.46 107.32 107.40 2qql s GLY 500 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 44.72 45.05 2qql s GLY 500 CO 0.00 3.51 -0.13 -1.34 0.00 0.00 0.00 173.10 175.15 2qql s VAL 501 N -2.15 1.03 -0.16 1.40 -7.23 0.06 -0.59 120.40 112.76 2qql s VAL 501 Ca 0.24 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 2qql s VAL 501 Cb 0.02 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2qql s VAL 501 CO -0.02 -0.30 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.80 2qql s ILE 502 N -1.50 3.81 0.02 -0.62 1.01 -0.65 -0.57 121.20 122.69 2qql s ILE 502 Ca -0.01 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2qql s ILE 502 Cb -0.09 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2qql s ILE 502 CO 0.02 0.48 -0.25 -0.51 0.00 0.00 0.00 174.94 174.68 2qql s ILE 503 N 0.51 2.23 0.03 2.92 2.07 -0.50 -1.63 121.20 126.83 2qql s ILE 503 Ca -0.03 -1.23 -0.02 0.00 -1.41 0.00 0.00 60.65 57.95 2qql s ILE 503 Cb -0.14 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.59 2qql s ILE 503 CO 0.03 0.46 0.02 -1.58 -1.91 0.00 0.00 174.94 171.95 2qql s GLN 504 N -1.00 0.47 0.00 3.50 0.74 -0.15 -1.12 119.66 122.10 2qql s GLN 504 Ca 0.11 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.75 2qql s GLN 504 Cb -0.10 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.18 2qql s GLN 504 CO 0.01 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2qql n GLY 505 N 1.01 -1.79 3.21 2.59 0.00 -1.02 -0.53 105.19 108.67 2qql n GLY 505 Ca -0.20 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 2qql n GLY 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qql s ALA 506 N -3.42 1.80 -0.13 4.61 0.00 -0.42 -3.47 121.76 120.73 2qql s ALA 506 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 2qql s ALA 506 Cb 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 23.12 22.35 2qql s ALA 506 CO 0.00 0.38 0.79 -0.09 0.00 0.00 0.00 175.76 176.84 2qql h ARG 507 N 5.94 -0.00 -3.41 0.00 9.65 0.97 -3.36 114.38 124.16 2qql h ARG 507 Ca -0.35 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 57.86 2qql h ARG 507 Cb 1.16 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 29.35 2qql h ARG 507 CO 0.48 0.90 -0.48 0.20 2.80 0.00 0.00 179.97 183.86 2qql s GLY 508 N -4.08 2.58 -0.65 2.80 0.00 -1.23 -4.97 107.32 101.77 2qql s GLY 508 Ca -0.18 -3.39 -0.07 0.00 0.00 0.00 0.00 44.72 41.08 2qql s GLY 508 CO 0.66 1.07 0.13 0.00 0.00 0.00 0.00 173.10 174.95 2qql n ALA 517 N 3.04 -1.58 -3.87 3.20 0.00 -1.26 -5.02 120.51 115.02 2qql n ALA 517 Ca 0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 2qql n ALA 517 Cb 0.35 -0.70 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 2qql n ALA 517 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qql s ARG 518 N -5.50 1.24 0.29 0.00 0.52 -1.26 -4.99 118.95 109.25 2qql s ARG 518 Ca 0.10 -1.02 -0.28 0.00 -0.52 0.00 0.00 55.73 54.00 2qql s ARG 518 Cb -0.05 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2qql s ARG 518 CO 0.46 -0.73 1.04 0.00 0.02 0.00 0.00 175.30 176.09 2qql s ALA 519 N 1.46 3.32 0.11 2.13 0.00 -1.26 -4.77 121.76 122.75 2qql s ALA 519 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2qql s ALA 519 Cb -0.18 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2qql s ALA 519 CO -0.11 -0.05 0.28 -0.59 0.00 0.00 0.00 175.76 175.29 2qql s PHE 520 N -1.28 0.03 -0.18 0.00 -0.12 -1.25 -1.30 117.98 113.87 2qql s PHE 520 Ca 0.46 -0.41 -0.17 0.00 -0.05 0.00 0.00 56.93 56.76 2qql s PHE 520 Cb -0.28 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 2qql s PHE 520 CO 0.35 -0.62 0.44 0.08 -0.05 0.00 0.00 175.22 175.43 2qql s VAL 521 N -3.85 5.17 -0.09 -2.49 1.01 -1.24 -1.69 120.40 117.23 2qql s VAL 521 Ca 0.05 0.82 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2qql s VAL 521 Cb 0.04 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 2qql s VAL 521 CO -0.11 0.25 0.49 0.54 0.00 0.00 0.00 175.10 176.27 2qql n ARG 522 N 4.37 0.67 -3.78 2.72 1.74 0.16 -1.52 116.66 121.02 2qql n ARG 522 Ca -0.07 0.25 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2qql n ARG 522 Cb 0.51 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 2qql n ARG 522 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qql s LYS 523 N -2.57 0.50 0.21 5.56 1.02 -0.96 -0.37 119.74 123.13 2qql s LYS 523 Ca -0.10 0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 2qql s LYS 523 Cb 0.07 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2qql s LYS 523 CO 0.81 -0.11 0.45 -0.59 -0.92 0.00 0.00 175.35 174.98 2qql s PHE 524 N -0.63 0.22 0.30 3.18 -0.12 -0.26 0.47 117.98 121.15 2qql s PHE 524 Ca -0.07 -0.58 0.09 0.00 -0.05 0.00 0.00 56.93 56.32 2qql s PHE 524 Cb -0.04 0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.49 2qql s PHE 524 CO 0.02 -0.91 -0.12 0.15 -0.05 0.00 0.00 175.22 174.32 2qql s LYS 525 N -3.96 1.69 -0.04 1.99 1.02 -0.27 0.84 119.74 121.00 2qql s LYS 525 Ca 0.17 -1.84 0.02 0.00 0.02 0.00 0.00 55.97 54.34 2qql s LYS 525 Cb 0.00 -1.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.77 2qql s LYS 525 CO 0.03 0.17 -0.07 0.08 -0.92 0.00 0.00 175.35 174.64 2qql s VAL 526 N -2.70 0.72 0.24 3.17 1.01 -1.26 -0.25 120.40 121.32 2qql s VAL 526 Ca 0.30 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.14 2qql s VAL 526 Cb 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 2qql s VAL 526 CO 0.14 0.26 -0.19 -0.94 0.00 0.00 0.00 175.10 174.37 2qql s SER 527 N 0.67 3.68 0.17 3.32 1.04 -0.55 -1.05 113.70 120.98 2qql s SER 527 Ca -0.10 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.45 2qql s SER 527 Cb -0.13 -0.37 -0.05 0.00 0.10 0.00 0.00 66.02 65.57 2qql s SER 527 CO 0.01 0.07 -0.00 -0.72 0.98 0.00 0.00 173.24 173.58 2qql s TYR 528 N -2.10 1.21 -0.07 5.02 -0.85 0.01 -0.80 117.35 119.77 2qql s TYR 528 Ca 0.26 -1.01 -0.31 0.00 -0.52 0.00 0.00 57.07 55.50 2qql s TYR 528 Cb -0.07 -0.69 0.07 0.00 0.38 0.00 0.00 41.96 41.66 2qql s TYR 528 CO 0.14 -0.20 0.69 0.45 -1.52 0.00 0.00 175.55 175.11 2qql s SER 529 N -3.17 -0.66 -0.16 -0.18 0.15 -0.59 -1.01 113.70 108.08 2qql s SER 529 Ca 0.23 0.76 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 2qql s SER 529 Cb 0.06 0.59 -0.23 0.00 -1.71 0.00 0.00 66.02 64.73 2qql s SER 529 CO 0.04 -0.58 0.18 0.18 1.20 0.00 0.00 173.24 174.26 2qql n LEU 530 N 1.02 2.46 0.19 3.45 4.77 -1.26 -1.03 117.00 126.60 2qql n LEU 530 Ca -0.18 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2qql n LEU 530 Cb 0.57 -0.85 0.23 0.00 -2.33 0.00 0.00 43.42 41.04 2qql n LEU 530 CO 0.22 0.82 0.83 0.78 -1.33 0.00 0.00 177.39 178.72 2qql h ASN 531 N 0.04 0.00 0.00 -1.43 -0.26 -1.97 -3.42 115.58 108.53 2qql h ASN 531 Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 2qql h ASN 531 Cb 2.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 2qql h ASN 531 CO 0.03 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.01 2qql n GLY 532 N 1.15 0.73 0.00 2.83 0.00 -1.26 -4.78 105.19 103.86 2qql n GLY 532 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qql n GLY 532 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qql n LYS 533 N -2.15 1.24 -3.82 1.61 5.02 -1.26 -5.02 118.16 113.77 2qql n LYS 533 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2qql n LYS 533 Cb 0.02 -0.56 -0.13 0.00 -0.02 0.00 0.00 35.03 34.34 2qql n LYS 533 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qql s ASP 534 N -1.10 4.90 -0.11 4.39 1.11 -1.26 -5.10 116.67 119.49 2qql s ASP 534 Ca 0.00 -0.81 0.03 0.00 0.18 0.00 0.00 52.55 51.95 2qql s ASP 534 Cb 0.00 -1.81 -0.00 0.00 1.07 0.00 0.00 42.92 42.18 2qql s ASP 534 CO 0.00 -0.19 -0.23 0.26 1.18 0.00 0.00 175.17 176.20 2qql s TRP 535 N 1.43 2.60 -0.17 4.23 0.52 -1.26 -4.27 118.94 122.02 2qql s TRP 535 Ca 0.01 -1.04 -0.02 0.00 0.02 0.00 0.00 56.10 55.07 2qql s TRP 535 Cb -0.17 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 2qql s TRP 535 CO 0.00 -0.42 -0.09 -1.21 0.02 0.00 0.00 176.95 175.25 2qql s GLU 536 N 0.40 3.41 0.35 4.98 2.02 -0.18 -4.92 118.70 124.76 2qql s GLU 536 Ca -0.17 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 53.91 2qql s GLU 536 Cb -0.17 -2.80 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 2qql s GLU 536 CO 0.07 0.06 1.16 0.71 0.02 0.00 0.00 175.26 177.28 2qql s TYR 537 N 0.77 3.24 -0.15 1.61 1.51 -1.26 -0.81 117.35 122.26 2qql s TYR 537 Ca -0.04 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.31 2qql s TYR 537 Cb -0.15 -3.39 -0.03 0.00 -0.11 0.00 0.00 41.96 38.28 2qql s TYR 537 CO 0.01 -1.11 1.49 0.42 -1.11 0.00 0.00 175.55 175.25 2qql s ILE 538 N -1.31 3.88 0.41 2.71 1.01 -0.21 -4.93 121.20 122.75 2qql s ILE 538 Ca 0.52 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 2qql s ILE 538 Cb -0.32 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2qql s ILE 538 CO 0.41 -0.17 0.69 -1.10 0.00 0.00 0.00 174.94 174.77 2qql s GLN 539 N 4.03 3.58 -0.18 2.79 -1.52 -1.26 -0.54 119.66 126.55 2qql s GLN 539 Ca 0.66 0.09 -0.02 0.00 -1.95 0.00 0.00 55.36 54.14 2qql s GLN 539 Cb -0.26 -2.49 -0.00 0.00 -0.22 0.00 0.00 33.01 30.04 2qql s GLN 539 CO 0.24 -0.03 -0.11 0.34 -0.25 0.00 0.00 175.29 175.48 2qql s ASP 540 N -3.78 3.92 0.19 5.90 -1.08 -0.26 -4.50 116.67 117.07 2qql s ASP 540 Ca 0.46 -0.44 0.04 0.00 -0.52 0.00 0.00 52.55 52.10 2qql s ASP 540 Cb -0.10 -1.64 0.08 0.00 -1.46 0.00 0.00 42.92 39.80 2qql s ASP 540 CO 0.38 0.04 1.44 -0.65 0.52 0.00 0.00 175.17 176.90 2qql h PRO 541 N 7.64 0.16 -0.01 4.34 0.11 -1.98 0.49 132.00 142.75 2qql h PRO 541 Ca -0.37 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qql h PRO 541 Cb 1.17 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qql h PRO 541 CO 0.60 0.87 0.00 0.00 -0.21 0.00 0.00 178.00 179.26 2qql h ARG 542 N 0.10 0.01 0.00 1.05 3.08 -1.96 -3.30 114.38 113.36 2qql h ARG 542 Ca -0.03 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.76 2qql h ARG 542 Cb 1.39 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 2qql h ARG 542 CO 0.12 0.04 -1.83 0.25 -1.07 0.00 0.00 179.97 177.48 2qql n THR 543 N -5.07 1.36 -2.41 2.04 -2.24 -1.19 -5.02 114.28 101.74 2qql n THR 543 Ca -0.07 -0.77 -0.07 0.00 -2.27 0.00 0.00 64.05 60.87 2qql n THR 543 Cb 0.05 -0.75 0.03 0.00 -2.10 0.00 0.00 70.33 67.55 2qql n THR 543 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qql n GLN 544 N -2.89 -1.12 -3.64 -0.78 6.02 0.17 -5.01 117.38 110.14 2qql n GLN 544 Ca -0.19 0.55 -0.05 0.00 -0.01 0.00 0.00 57.00 57.31 2qql n GLN 544 Cb 1.00 -3.80 -0.06 0.00 1.02 0.00 0.00 30.24 28.40 2qql n GLN 544 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2qql s GLN 545 N -3.62 0.21 0.08 -1.09 0.74 -1.20 -4.97 119.66 109.79 2qql s GLN 545 Ca 0.21 0.19 -0.37 0.00 0.05 0.00 0.00 55.36 55.44 2qql s GLN 545 Cb -0.03 0.10 -0.18 0.00 1.10 0.00 0.00 33.01 34.01 2qql s GLN 545 CO 0.39 -0.04 1.18 -2.30 -0.55 0.00 0.00 175.29 173.98 2qql n PRO 546 N 1.49 0.70 -2.23 1.67 -0.02 -1.26 -1.10 135.00 134.25 2qql n PRO 546 Ca -0.09 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2qql n PRO 546 Cb 0.57 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2qql n PRO 546 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qql s LYS 547 N 0.10 4.42 -0.44 -0.52 2.20 0.29 -4.66 119.74 121.13 2qql s LYS 547 Ca 0.84 2.06 -0.10 0.00 -0.36 0.00 0.00 55.97 58.41 2qql s LYS 547 Cb -1.04 -3.15 0.09 0.00 -1.51 0.00 0.00 37.83 32.21 2qql s LYS 547 CO 0.52 -0.14 0.31 -1.17 -0.36 0.00 0.00 175.35 174.50 2qql s LEU 548 N -0.93 5.38 0.35 5.43 2.96 -1.26 -4.46 118.68 126.15 2qql s LEU 548 Ca 0.52 -1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 52.59 2qql s LEU 548 Cb -0.37 -2.03 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 2qql s LEU 548 CO 0.44 -0.60 1.00 -0.36 -1.32 0.00 0.00 176.35 175.51 2qql s PHE 549 N 1.44 3.50 0.36 5.38 0.40 0.25 -4.84 117.98 124.48 2qql s PHE 549 Ca 0.04 1.72 -0.27 0.00 -0.60 0.00 0.00 56.93 57.82 2qql s PHE 549 Cb -0.24 -3.04 -0.09 0.00 0.51 0.00 0.00 43.02 40.16 2qql s PHE 549 CO 0.02 -0.21 1.20 -1.21 0.70 0.00 0.00 175.22 175.72 2qql s GLU 550 N -2.19 4.21 0.00 0.44 0.41 -1.26 -1.10 118.70 119.21 2qql s GLU 550 Ca 0.53 1.95 0.00 0.00 -0.41 0.00 0.00 54.97 57.04 2qql s GLU 550 Cb -0.21 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 2qql s GLU 550 CO 0.27 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 2qql n GLY 551 N 0.77 2.59 3.94 -1.39 0.00 0.50 -4.81 105.19 106.78 2qql n GLY 551 Ca 0.02 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 2qql n GLY 551 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qql s ASN 552 N -0.59 6.04 0.00 1.61 -0.87 -0.58 -4.90 114.94 115.67 2qql s ASN 552 Ca 0.00 0.50 0.08 0.00 -1.57 0.00 0.00 52.86 51.87 2qql s ASN 552 Cb 0.00 -1.85 0.21 0.00 -0.02 0.00 0.00 41.25 39.59 2qql s ASN 552 CO 0.00 -0.58 1.14 0.23 -2.57 0.00 0.00 177.10 175.32 2qql n MET 553 N -2.07 2.60 -3.57 -0.60 2.81 -1.26 -4.61 117.12 110.43 2qql n MET 553 Ca -0.00 -1.81 -0.16 0.00 -1.81 0.00 0.00 57.70 53.92 2qql n MET 553 Cb 0.57 -1.19 -0.06 0.00 -0.71 0.00 0.00 33.22 31.82 2qql n MET 553 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2qql s HIS 554 N -0.96 -0.69 0.17 2.03 5.65 -1.26 -5.05 115.29 115.17 2qql s HIS 554 Ca 0.16 1.41 0.25 0.00 0.25 0.00 0.00 55.06 57.14 2qql s HIS 554 Cb 0.09 0.36 1.04 0.00 -1.18 0.00 0.00 32.58 32.88 2qql s HIS 554 CO 0.12 -0.50 1.88 0.10 -0.65 0.00 0.00 174.74 175.68 2qql h TYR 555 N 3.77 0.00 0.00 3.88 -0.00 -1.88 -3.33 116.97 119.41 2qql h TYR 555 Ca -0.27 0.00 -0.20 0.00 -0.00 0.00 0.00 58.73 58.26 2qql h TYR 555 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.85 2qql h TYR 555 CO 0.38 0.19 -1.54 -3.47 -0.00 0.00 0.00 178.16 173.72 2qql n ASP 556 N -3.39 1.53 -4.61 0.10 2.03 -1.26 -2.44 116.55 108.50 2qql n ASP 556 Ca -0.00 0.26 -0.43 0.00 0.52 0.00 0.00 54.79 55.14 2qql n ASP 556 Cb 0.39 -0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 2qql n ASP 556 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2qql s THR 557 N -2.48 3.60 0.72 5.18 2.01 -1.26 -4.66 115.64 118.75 2qql s THR 557 Ca -0.25 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 2qql s THR 557 Cb 0.07 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.87 2qql s THR 557 CO 0.33 -0.42 1.10 -2.16 -0.69 0.00 0.00 174.62 172.79 2qql s PRO 558 N 5.22 2.75 -0.03 4.92 0.04 -1.26 -4.59 135.00 142.06 2qql s PRO 558 Ca 0.75 0.48 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2qql s PRO 558 Cb -0.22 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2qql s PRO 558 CO 0.32 -1.12 -0.09 -0.51 0.04 0.00 0.00 177.00 175.65 2qql s ASP 559 N -4.30 1.19 -0.07 6.66 1.11 -0.27 -4.45 116.67 116.52 2qql s ASP 559 Ca 0.59 -0.18 -0.21 0.00 0.18 0.00 0.00 52.55 52.92 2qql s ASP 559 Cb -0.11 -0.36 -0.04 0.00 1.07 0.00 0.00 42.92 43.47 2qql s ASP 559 CO 0.52 0.05 0.60 -0.63 1.18 0.00 0.00 175.17 176.89 2qql s ILE 560 N 0.30 5.07 -0.13 0.77 1.01 -1.26 -1.40 121.20 125.56 2qql s ILE 560 Ca -0.05 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2qql s ILE 560 Cb -0.10 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2qql s ILE 560 CO 0.01 0.31 -0.12 -0.13 0.00 0.00 0.00 174.94 175.01 2qql s ARG 561 N 0.54 1.98 0.39 2.79 1.81 0.26 -5.01 118.95 121.70 2qql s ARG 561 Ca 0.32 -0.43 0.08 0.00 -1.72 0.00 0.00 55.73 53.97 2qql s ARG 561 Cb -0.17 -1.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 2qql s ARG 561 CO 0.15 -0.24 0.29 1.03 -0.68 0.00 0.00 175.30 175.85 2qql s ARG 562 N 1.55 2.51 0.19 3.54 0.52 -1.26 -0.76 118.95 125.24 2qql s ARG 562 Ca 0.04 -1.53 -0.23 0.00 -0.52 0.00 0.00 55.73 53.50 2qql s ARG 562 Cb -0.13 -2.31 0.06 0.00 0.52 0.00 0.00 34.95 33.09 2qql s ARG 562 CO -0.09 -0.07 0.95 -0.59 0.02 0.00 0.00 175.30 175.52 2qql s PHE 563 N -2.44 -0.07 0.27 -0.53 -0.12 -0.54 -4.95 117.98 109.60 2qql s PHE 563 Ca 0.44 -0.30 -0.30 0.00 -0.05 0.00 0.00 56.93 56.71 2qql s PHE 563 Cb -0.03 0.68 -0.12 0.00 -0.63 0.00 0.00 43.02 42.91 2qql s PHE 563 CO 0.26 -0.94 1.49 -0.25 -0.05 0.00 0.00 175.22 175.73 2qql n ASP 564 N -0.71 3.28 -4.68 1.98 8.00 -1.26 -4.69 116.55 118.46 2qql n ASP 564 Ca -0.05 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.17 2qql n ASP 564 Cb 0.60 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.17 2qql n ASP 564 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2qql s PRO 565 N -0.53 4.25 0.18 -0.24 0.04 -1.26 -4.84 135.00 132.60 2qql s PRO 565 Ca 0.66 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.86 2qql s PRO 565 Cb -0.57 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 2qql s PRO 565 CO 0.50 -0.65 -0.24 0.96 0.04 0.00 0.00 177.00 177.60 2qql s ILE 566 N 2.74 2.30 0.22 0.56 -4.36 -0.89 -4.94 121.20 116.84 2qql s ILE 566 Ca 0.67 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 2qql s ILE 566 Cb -0.33 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 2qql s ILE 566 CO 0.27 -0.10 0.93 -2.16 0.24 0.00 0.00 174.94 174.12 2qql s PRO 567 N -2.60 4.82 -0.28 0.37 0.04 -1.26 -0.79 135.00 135.30 2qql s PRO 567 Ca 0.19 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.49 2qql s PRO 567 Cb -0.08 -3.29 0.12 0.00 0.04 0.00 0.00 34.50 31.29 2qql s PRO 567 CO 0.09 0.48 0.94 0.00 0.04 0.00 0.00 177.00 178.56 2qql s ALA 568 N -1.02 -2.03 -0.17 8.56 0.00 0.06 -4.77 121.76 122.39 2qql s ALA 568 Ca 0.41 2.06 0.18 0.00 0.00 0.00 0.00 51.96 54.61 2qql s ALA 568 Cb -0.25 -1.49 -0.26 0.00 0.00 0.00 0.00 23.12 21.12 2qql s ALA 568 CO 0.31 -0.30 0.13 0.94 0.00 0.00 0.00 175.76 176.85 2qql n GLN 569 N 2.97 0.77 -5.06 0.00 7.27 -0.78 -1.25 117.38 121.30 2qql n GLN 569 Ca -0.15 -0.04 -0.32 0.00 0.07 0.00 0.00 57.00 56.55 2qql n GLN 569 Cb 0.57 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.56 2qql n GLN 569 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2qql s TYR 570 N -2.64 2.62 0.00 3.69 1.51 -0.20 -0.31 117.35 122.03 2qql s TYR 570 Ca -0.09 -0.77 0.07 0.00 -1.01 0.00 0.00 57.07 55.26 2qql s TYR 570 Cb 0.07 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2qql s TYR 570 CO 0.81 -0.26 -0.20 0.08 -1.11 0.00 0.00 175.55 174.87 2qql s VAL 571 N 0.14 1.63 -0.06 0.71 1.01 -0.70 -1.54 120.40 121.58 2qql s VAL 571 Ca -0.10 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2qql s VAL 571 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2qql s VAL 571 CO 0.06 0.37 -0.15 -0.13 0.00 0.00 0.00 175.10 175.25 2qql s ARG 572 N -0.72 1.81 -0.25 2.72 0.52 0.02 -0.54 118.95 122.51 2qql s ARG 572 Ca 0.08 -0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 54.66 2qql s ARG 572 Cb -0.08 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 2qql s ARG 572 CO 0.00 0.14 0.12 0.08 0.02 0.00 0.00 175.30 175.66 2qql s VAL 573 N 0.32 4.77 -0.40 3.52 1.01 -0.31 -1.49 120.40 127.83 2qql s VAL 573 Ca -0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2qql s VAL 573 Cb -0.14 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.08 2qql s VAL 573 CO 0.03 0.32 0.23 -0.31 0.00 0.00 0.00 175.10 175.38 2qql s TYR 574 N 1.47 3.33 0.35 5.22 1.51 0.65 -1.85 117.35 128.03 2qql s TYR 574 Ca 0.06 -1.53 -0.28 0.00 -1.01 0.00 0.00 57.07 54.32 2qql s TYR 574 Cb -0.15 -2.83 -0.12 0.00 -0.11 0.00 0.00 41.96 38.75 2qql s TYR 574 CO 0.06 -0.82 1.30 -2.30 -1.11 0.00 0.00 175.55 172.67 2qql n PRO 575 N 4.89 2.15 -0.03 -1.71 -0.02 -1.26 -1.11 135.00 137.90 2qql n PRO 575 Ca -0.10 0.75 -0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2qql n PRO 575 Cb 0.43 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2qql n PRO 575 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qql n GLU 576 N 0.50 1.34 -4.09 -0.52 -0.58 0.18 -3.38 120.64 114.09 2qql n GLU 576 Ca 0.05 0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 2qql n GLU 576 Cb 0.36 -1.15 -0.11 0.00 -0.57 0.00 0.00 31.44 29.98 2qql n GLU 576 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2qql s ARG 577 N -2.15 0.62 0.27 3.49 3.00 -0.74 -4.75 118.95 118.69 2qql s ARG 577 Ca -0.07 -1.02 -0.19 0.00 0.00 0.00 0.00 55.73 54.45 2qql s ARG 577 Cb 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 34.95 34.87 2qql s ARG 577 CO 0.20 -0.01 0.65 1.67 0.00 0.00 0.00 175.30 177.81 2qql s TRP 578 N -2.62 -0.05 1.07 -0.53 -2.14 -1.26 0.36 118.94 113.76 2qql s TRP 578 Ca -0.00 -0.38 -0.12 0.00 2.66 0.00 0.00 56.10 58.26 2qql s TRP 578 Cb -0.01 0.56 0.23 0.00 -3.10 0.00 0.00 33.47 31.15 2qql s TRP 578 CO -0.03 -1.16 1.06 -1.54 -2.66 0.00 0.00 176.95 172.62 2qql s SER 579 N -2.94 1.84 0.52 -2.66 1.04 -0.68 -4.80 113.70 106.02 2qql s SER 579 Ca 0.14 1.59 0.21 0.00 0.48 0.00 0.00 55.95 58.37 2qql s SER 579 Cb -0.04 -2.28 1.33 0.00 0.10 0.00 0.00 66.02 65.13 2qql s SER 579 CO 0.07 -3.68 2.06 -0.65 0.98 0.00 0.00 173.24 172.02 2qql h PRO 580 N -2.26 0.02 0.00 4.02 0.11 -1.92 -2.22 132.00 129.74 2qql h PRO 580 Ca -0.56 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2qql h PRO 580 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qql h PRO 580 CO 0.50 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 2qql n ALA 581 N -2.60 2.17 0.00 -0.75 0.00 -1.26 -5.01 120.51 113.06 2qql n ALA 581 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qql n ALA 581 Cb 0.38 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2qql n ALA 581 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qql n GLY 582 N 0.50 -1.39 3.70 0.00 0.00 -0.84 -4.75 105.19 102.42 2qql n GLY 582 Ca 0.12 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2qql n GLY 582 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qql s ILE 583 N -0.15 4.53 -0.10 -0.61 1.01 0.13 -3.83 121.20 122.19 2qql s ILE 583 Ca 0.00 1.82 -0.05 0.00 0.00 0.00 0.00 60.65 62.42 2qql s ILE 583 Cb 0.00 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2qql s ILE 583 CO 0.00 0.06 0.24 -0.83 0.00 0.00 0.00 174.94 174.41 2qql s GLY 584 N 1.17 -0.14 -0.07 6.18 0.00 -1.26 -4.33 107.32 108.88 2qql s GLY 584 Ca 0.53 0.98 -0.14 0.00 0.00 0.00 0.00 44.72 46.09 2qql s GLY 584 CO 0.24 1.23 0.33 -0.29 0.00 0.00 0.00 173.10 174.60 2qql s MET 585 N 1.24 0.55 0.12 2.90 0.00 -0.34 -3.69 119.30 120.08 2qql s MET 585 Ca -0.09 0.11 0.06 0.00 0.00 0.00 0.00 55.69 55.77 2qql s MET 585 Cb -0.10 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 2qql s MET 585 CO -0.08 -0.12 -0.15 1.03 0.00 0.00 0.00 175.02 175.69 2qql s ARG 586 N -0.65 1.03 -0.01 4.11 0.52 0.31 0.11 118.95 124.37 2qql s ARG 586 Ca -0.08 -1.21 -0.09 0.00 -0.52 0.00 0.00 55.73 53.84 2qql s ARG 586 Cb -0.04 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.46 2qql s ARG 586 CO 0.03 0.20 0.19 -1.17 0.02 0.00 0.00 175.30 174.56 2qql s LEU 587 N -2.33 1.36 0.10 2.53 2.96 -0.45 -0.98 118.68 121.87 2qql s LEU 587 Ca 0.08 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2qql s LEU 587 Cb -0.06 0.82 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 2qql s LEU 587 CO 0.03 -0.36 -0.08 -0.70 -1.32 0.00 0.00 176.35 173.92 2qql s GLU 588 N -1.25 0.83 -0.08 1.98 2.56 -0.65 -1.99 118.70 120.11 2qql s GLU 588 Ca -0.13 -1.25 0.03 0.00 0.00 0.00 0.00 54.97 53.61 2qql s GLU 588 Cb -0.07 -0.32 -0.02 0.00 2.00 0.00 0.00 34.13 35.73 2qql s GLU 588 CO 0.02 0.02 -0.17 0.08 -0.56 0.00 0.00 175.26 174.65 2qql s VAL 589 N -3.14 2.76 -0.06 3.70 1.01 -1.26 -1.63 120.40 121.78 2qql s VAL 589 Ca 0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2qql s VAL 589 Cb 0.02 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2qql s VAL 589 CO -0.03 0.56 0.12 -0.76 0.00 0.00 0.00 175.10 174.99 2qql s LEU 590 N -0.19 4.14 0.00 3.92 1.43 0.24 -0.68 118.68 127.54 2qql s LEU 590 Ca -0.01 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2qql s LEU 590 Cb -0.13 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2qql s LEU 590 CO 0.03 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2qql n GLY 591 N 1.55 -0.61 3.79 -3.19 0.00 -0.63 -1.04 105.19 105.06 2qql n GLY 591 Ca -0.16 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 2qql n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qql s ASP 593 N -3.28 6.04 0.92 0.00 1.01 -1.26 -0.63 116.67 119.47 2qql s ASP 593 Ca 0.19 1.83 -0.11 0.00 0.71 0.00 0.00 52.55 55.17 2qql s ASP 593 Cb 0.01 -2.54 0.14 0.00 1.01 0.00 0.00 42.92 41.54 2qql s ASP 593 CO 0.00 -0.99 1.11 0.26 0.21 0.00 0.00 175.17 175.76 2qql s TRP 594 N -2.32 1.89 0.00 4.23 0.52 -1.26 -4.62 118.94 117.37 2qql s TRP 594 Ca 0.64 1.58 0.00 0.00 0.02 0.00 0.00 56.10 58.35 2qql s TRP 594 Cb -0.15 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 2qql s TRP 594 CO 0.31 -2.68 0.00 2.41 0.02 0.00 0.00 176.95 177.01 2qql n THR 595 N -4.13 0.00 0.00 2.01 -1.04 -1.26 -5.06 114.28 104.80 2qql n THR 595 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2qql n THR 595 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2qql n THR 595 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2qql n HIS 599 N 0.00 0.00 -3.36 -1.42 -0.00 -1.26 -5.29 115.22 103.89 2qql n HIS 599 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2qql n HIS 599 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 2qql n HIS 599 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2qql n HIS 600 N 0.00 -1.83 -1.74 1.57 1.44 -1.26 -5.51 115.22 107.90 2qql n HIS 600 Ca 0.00 -1.10 0.00 0.00 -2.01 0.00 0.00 57.72 54.61 2qql n HIS 600 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 2qql n HIS 600 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14