#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqa n PHE 6 N 0.00 0.31 -0.22 2.03 3.72 -1.26 -4.67 117.46 117.37 1bqa n PHE 6 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1bqa n PHE 6 Cb 0.00 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1bqa n PHE 6 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bqa h GLU 7 N 3.31 0.47 -0.64 -1.08 3.07 -2.12 -2.92 114.58 114.67 1bqa h GLU 7 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1bqa h GLU 7 Cb 0.78 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1bqa h GLU 7 CO 0.00 0.31 0.00 -1.71 -1.40 0.00 0.00 179.01 176.21 1bqa n ASN 8 N -4.94 4.70 -4.69 1.42 4.05 -1.26 -4.95 115.26 109.59 1bqa n ASN 8 Ca 0.09 -2.55 -0.42 0.00 0.45 0.00 0.00 54.58 52.15 1bqa n ASN 8 Cb 0.26 -0.59 -0.03 0.00 1.23 0.00 0.00 39.78 40.65 1bqa n ASN 8 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1bqa s ILE 9 N -2.08 4.16 0.09 -1.44 1.01 -1.11 -5.00 121.20 116.83 1bqa s ILE 9 Ca 0.48 1.50 -0.22 0.00 0.00 0.00 0.00 60.65 62.41 1bqa s ILE 9 Cb 0.33 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 1bqa s ILE 9 CO 0.20 0.02 0.67 0.42 0.00 0.00 0.00 174.94 176.25 1bqa s THR 10 N 2.01 4.64 0.48 2.92 -4.23 -1.26 -5.03 115.64 115.17 1bqa s THR 10 Ca 0.57 1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 62.29 1bqa s THR 10 Cb -0.26 -4.02 -0.08 0.00 1.34 0.00 0.00 72.50 69.48 1bqa s THR 10 CO 0.24 0.50 1.38 0.00 -0.54 0.00 0.00 174.62 176.19 1bqa n ALA 11 N 1.99 1.77 -1.78 3.99 0.00 -1.26 -4.96 120.51 120.26 1bqa n ALA 11 Ca -0.07 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1bqa n ALA 11 Cb 0.50 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1bqa n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqa s ALA 12 N -1.22 3.06 0.37 0.00 0.00 -1.26 -4.97 121.76 117.73 1bqa s ALA 12 Ca 0.64 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 1bqa s ALA 12 Cb -0.45 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 1bqa s ALA 12 CO 0.55 -0.25 1.43 -1.25 0.00 0.00 0.00 175.76 176.24 1bqa s PRO 13 N -2.58 4.13 0.11 0.00 0.05 -1.26 -4.95 135.00 130.50 1bqa s PRO 13 Ca 0.59 2.45 -0.30 0.00 0.05 0.00 0.00 61.00 63.79 1bqa s PRO 13 Cb -0.22 -2.96 -0.06 0.00 0.05 0.00 0.00 34.50 31.31 1bqa s PRO 13 CO 0.27 -0.47 1.00 0.00 0.05 0.00 0.00 177.00 177.86 1bqa s ALA 14 N -1.14 3.27 -0.10 8.56 0.00 -1.26 -5.01 121.76 126.08 1bqa s ALA 14 Ca 0.53 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1bqa s ALA 14 Cb -0.44 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1bqa s ALA 14 CO 0.59 -0.10 0.83 0.16 0.00 0.00 0.00 175.76 177.24 1bqa s ASP 15 N 0.12 7.07 0.18 0.00 1.47 -1.26 -4.99 116.67 119.26 1bqa s ASP 15 Ca 0.48 1.30 -0.26 0.00 1.18 0.00 0.00 52.55 55.26 1bqa s ASP 15 Cb -0.25 -2.47 0.04 0.00 -0.34 0.00 0.00 42.92 39.91 1bqa s ASP 15 CO 0.31 -0.28 1.52 -2.65 0.68 0.00 0.00 175.17 174.75 1bqa n PRO 16 N 4.47 -0.36 -0.09 2.11 -0.02 -1.26 -1.36 135.00 138.48 1bqa n PRO 16 Ca 0.03 1.50 -0.12 0.00 -2.02 0.00 0.00 63.50 62.88 1bqa n PRO 16 Cb 0.50 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 1bqa n PRO 16 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1bqa h ILE 17 N 0.00 0.06 -0.60 4.25 2.10 -1.94 2.69 117.51 124.06 1bqa h ILE 17 Ca 0.22 0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.17 1bqa h ILE 17 Cb 0.47 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 36.23 1bqa h ILE 17 CO -0.94 0.00 0.40 -0.07 -1.08 0.00 0.00 178.15 176.45 1bqa h LEU 18 N -0.42 0.68 -0.48 2.19 4.07 -1.88 0.23 115.31 119.70 1bqa h LEU 18 Ca 0.09 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.91 1bqa h LEU 18 Cb 0.62 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1bqa h LEU 18 CO -0.54 0.49 -0.19 1.23 -1.08 0.00 0.00 178.44 178.35 1bqa h GLY 19 N 0.80 1.06 0.99 0.83 0.00 0.44 -2.45 103.07 104.75 1bqa h GLY 19 Ca 0.22 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1bqa h GLY 19 CO -0.05 0.84 0.29 -2.00 0.00 0.00 0.00 176.54 175.62 1bqa h LEU 20 N 0.83 0.57 -0.05 3.11 7.12 0.57 -2.20 115.31 125.27 1bqa h LEU 20 Ca 0.11 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.10 1bqa h LEU 20 Cb 0.76 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.70 1bqa h LEU 20 CO 0.06 0.47 -0.29 0.00 -0.13 0.00 0.00 178.44 178.55 1bqa h ALA 21 N 1.13 -0.38 -0.95 1.25 0.00 -0.74 0.21 119.26 119.78 1bqa h ALA 21 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1bqa h ALA 21 Cb -0.00 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1bqa h ALA 21 CO -0.03 -0.79 0.61 -0.44 0.00 0.00 0.00 179.25 178.61 1bqa h ASP 22 N -0.41 0.99 -0.25 0.00 3.32 -1.30 -0.36 116.42 118.40 1bqa h ASP 22 Ca 0.08 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1bqa h ASP 22 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1bqa h ASP 22 CO -0.28 0.64 0.11 0.25 -1.72 0.00 0.00 179.24 178.24 1bqa h LEU 23 N 1.13 0.35 -0.53 1.55 6.46 -0.71 -1.68 115.31 121.88 1bqa h LEU 23 Ca 0.40 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1bqa h LEU 23 Cb 0.12 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1bqa h LEU 23 CO -0.16 0.41 0.25 0.15 -0.62 0.00 0.00 178.44 178.47 1bqa h PHE 24 N 0.26 0.46 0.22 1.25 3.57 0.14 -2.85 116.94 119.98 1bqa h PHE 24 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1bqa h PHE 24 Cb 0.16 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1bqa h PHE 24 CO -0.01 0.20 -0.14 -0.09 -2.23 0.00 0.00 178.31 176.04 1bqa h ARG 25 N 0.48 -0.33 -0.25 1.11 2.43 -0.84 -2.46 114.38 114.52 1bqa h ARG 25 Ca 0.24 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1bqa h ARG 25 Cb 0.18 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1bqa h ARG 25 CO -0.19 -0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.05 1bqa n ALA 26 N -2.30 1.83 -2.54 2.80 0.00 -0.66 -4.71 120.51 114.94 1bqa n ALA 26 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1bqa n ALA 26 Cb 0.17 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 1bqa n ALA 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bqa s ASP 27 N -1.00 6.19 0.42 0.00 -1.08 -0.93 -4.96 116.67 115.31 1bqa s ASP 27 Ca 0.00 -0.22 0.20 0.00 -0.52 0.00 0.00 52.55 52.02 1bqa s ASP 27 Cb 0.00 -2.20 0.91 0.00 -1.46 0.00 0.00 42.92 40.17 1bqa s ASP 27 CO 0.00 -0.34 1.85 -0.33 0.52 0.00 0.00 175.17 176.87 1bqa h GLU 28 N 8.46 0.00 -6.23 4.34 5.08 -1.88 -3.46 114.58 120.89 1bqa h GLU 28 Ca -0.30 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.46 1bqa h GLU 28 Cb 1.14 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.55 1bqa h GLU 28 CO 0.70 0.29 -0.68 0.54 -1.00 0.00 0.00 179.01 178.85 1bqa n ARG 29 N -3.65 0.31 -0.08 2.33 3.00 -1.26 -4.96 116.66 112.34 1bqa n ARG 29 Ca -0.01 0.12 -0.13 0.00 -0.01 0.00 0.00 57.85 57.82 1bqa n ARG 29 Cb 0.41 -1.33 -0.08 0.00 0.00 0.00 0.00 32.46 31.46 1bqa n ARG 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1bqa h PRO 30 N 0.39 0.00 0.00 5.56 0.13 -1.99 -3.38 132.00 132.71 1bqa h PRO 30 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1bqa h PRO 30 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1bqa h PRO 30 CO 0.47 0.63 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 1bqa n GLY 31 N 1.57 -0.67 3.47 1.56 0.00 -1.26 -4.92 105.19 104.94 1bqa n GLY 31 Ca -0.16 -0.06 -0.48 0.00 0.00 0.00 0.00 46.02 45.32 1bqa n GLY 31 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bqa n LYS 32 N -0.72 0.46 -4.22 1.61 2.85 -1.26 -4.90 118.16 111.98 1bqa n LYS 32 Ca 0.07 0.16 -0.22 0.00 -1.05 0.00 0.00 58.31 57.27 1bqa n LYS 32 Cb 0.03 -1.33 -0.17 0.00 -0.65 0.00 0.00 35.03 32.91 1bqa n LYS 32 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1bqa s ILE 33 N -0.88 0.70 -0.41 0.58 1.01 -0.29 -5.01 121.20 116.90 1bqa s ILE 33 Ca 0.65 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 1bqa s ILE 33 Cb -0.89 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 40.96 1bqa s ILE 33 CO 0.57 0.27 0.25 0.21 0.00 0.00 0.00 174.94 176.24 1bqa s ASN 34 N 0.98 5.63 0.00 3.58 3.84 -1.26 0.02 114.94 127.73 1bqa s ASN 34 Ca -0.10 -1.48 0.24 0.00 0.21 0.00 0.00 52.86 51.73 1bqa s ASN 34 Cb -0.14 -1.98 0.36 0.00 -0.55 0.00 0.00 41.25 38.94 1bqa s ASN 34 CO 0.00 -0.53 1.36 0.18 -2.79 0.00 0.00 177.10 175.33 1bqa n LEU 35 N 4.91 3.20 -0.57 3.21 4.77 0.83 -4.25 117.00 129.11 1bqa n LEU 35 Ca -0.10 -1.27 0.10 0.00 -0.03 0.00 0.00 56.01 54.71 1bqa n LEU 35 Cb 0.43 -0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.71 1bqa n LEU 35 CO 0.39 0.63 0.75 0.61 -1.33 0.00 0.00 177.39 178.44 1bqa n GLY 36 N 1.44 0.34 3.76 -0.72 0.00 -1.17 -1.42 105.19 107.41 1bqa n GLY 36 Ca 0.17 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1bqa n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bqa s ILE 37 N -1.75 3.06 -0.63 -0.61 -5.25 -1.26 -4.95 121.20 109.81 1bqa s ILE 37 Ca 0.31 0.44 0.08 0.00 -0.99 0.00 0.00 60.65 60.49 1bqa s ILE 37 Cb 0.17 -2.92 0.22 0.00 2.95 0.00 0.00 42.46 42.87 1bqa s ILE 37 CO 0.25 -0.35 1.18 0.61 -1.79 0.00 0.00 174.94 174.83 1bqa n GLY 38 N -0.54 2.88 3.49 6.27 0.00 -1.26 -4.72 105.19 111.31 1bqa n GLY 38 Ca 0.11 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1bqa n GLY 38 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bqa s VAL 39 N -1.05 1.30 0.44 1.61 -7.23 -1.26 -5.13 120.40 109.08 1bqa s VAL 39 Ca 0.17 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 1bqa s VAL 39 Cb 0.09 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 1bqa s VAL 39 CO 0.11 0.00 1.02 -0.47 -0.31 0.00 0.00 175.10 175.44 1bqa s TYR 40 N -3.18 3.19 0.02 2.82 5.04 -1.26 -4.87 117.35 119.11 1bqa s TYR 40 Ca 0.35 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.60 1bqa s TYR 40 Cb 0.09 -3.03 -0.02 0.00 0.35 0.00 0.00 41.96 39.35 1bqa s TYR 40 CO 0.16 -0.54 -0.03 0.15 -1.34 0.00 0.00 175.55 173.95 1bqa s LYS 41 N -2.91 0.26 0.74 4.97 1.02 -1.26 -4.44 119.74 118.12 1bqa s LYS 41 Ca 0.62 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1bqa s LYS 41 Cb -0.17 0.04 0.14 0.00 -0.52 0.00 0.00 37.83 37.33 1bqa s LYS 41 CO 0.21 -0.03 1.02 0.16 -0.92 0.00 0.00 175.35 175.79 1bqa s ASP 42 N -1.09 4.22 0.62 2.83 1.47 0.77 -4.85 116.67 120.64 1bqa s ASP 42 Ca -0.11 -0.52 0.29 0.00 1.18 0.00 0.00 52.55 53.39 1bqa s ASP 42 Cb -0.07 0.24 1.52 0.00 -0.34 0.00 0.00 42.92 44.26 1bqa s ASP 42 CO -0.01 -1.97 1.91 1.05 0.68 0.00 0.00 175.17 176.83 1bqa h GLU 43 N -0.57 0.00 -0.02 2.11 9.09 -1.92 0.53 114.58 123.80 1bqa h GLU 43 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1bqa h GLU 43 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1bqa h GLU 43 CO 0.37 0.00 -0.10 0.25 0.05 0.00 0.00 179.01 179.58 1bqa n THR 44 N -3.43 0.00 -1.37 -1.06 -2.24 -1.26 -4.89 114.28 100.03 1bqa n THR 44 Ca 0.04 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1bqa n THR 44 Cb 0.55 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1bqa n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqa n GLY 45 N 1.29 0.60 3.44 3.38 0.00 0.19 -5.07 105.19 109.01 1bqa n GLY 45 Ca 0.15 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1bqa n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bqa s LYS 46 N -2.85 1.58 -0.79 1.61 -2.85 -1.25 -4.78 119.74 110.41 1bqa s LYS 46 Ca 0.00 -1.77 0.02 0.00 -1.00 0.00 0.00 55.97 53.23 1bqa s LYS 46 Cb 0.00 -1.41 0.23 0.00 -2.06 0.00 0.00 37.83 34.59 1bqa s LYS 46 CO 0.00 0.17 0.80 2.41 0.10 0.00 0.00 175.35 178.83 1bqa n THR 47 N -0.59 2.81 -0.97 3.79 -1.04 -1.26 -0.16 114.28 116.85 1bqa n THR 47 Ca -0.06 -5.21 -0.29 0.00 -2.04 0.00 0.00 64.05 56.45 1bqa n THR 47 Cb 0.62 -2.20 0.19 0.00 -1.82 0.00 0.00 70.33 67.12 1bqa n THR 47 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bqa s PRO 48 N -1.99 0.28 -0.05 -2.82 0.04 -1.26 -5.01 135.00 124.18 1bqa s PRO 48 Ca 0.32 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 61.90 1bqa s PRO 48 Cb 0.03 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 1bqa s PRO 48 CO -0.06 -2.89 0.60 0.08 0.04 0.00 0.00 177.00 174.76 1bqa s VAL 49 N -2.79 5.02 0.48 -0.36 1.01 -1.26 -4.97 120.40 117.53 1bqa s VAL 49 Ca 0.66 1.24 -0.24 0.00 0.00 0.00 0.00 61.98 63.65 1bqa s VAL 49 Cb -0.20 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1bqa s VAL 49 CO 0.59 0.34 1.33 -0.76 0.00 0.00 0.00 175.10 176.60 1bqa s LEU 50 N 0.32 4.01 0.15 3.92 1.02 -1.26 -4.87 118.68 121.97 1bqa s LEU 50 Ca 0.32 2.69 -0.16 0.00 0.02 0.00 0.00 54.13 57.00 1bqa s LEU 50 Cb -0.17 -4.12 0.02 0.00 0.02 0.00 0.00 46.19 41.93 1bqa s LEU 50 CO 0.16 -1.23 1.81 0.74 0.02 0.00 0.00 176.35 177.85 1bqa h THR 51 N 1.90 1.10 -0.32 5.49 2.02 -1.97 -1.12 112.91 120.01 1bqa h THR 51 Ca -0.50 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1bqa h THR 51 Cb 1.27 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1bqa h THR 51 CO 0.60 0.10 0.21 0.77 0.37 0.00 0.00 175.52 177.57 1bqa h SER 52 N 0.54 0.31 -0.07 4.18 4.64 -1.91 -1.43 113.55 119.82 1bqa h SER 52 Ca 0.15 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1bqa h SER 52 Cb -0.06 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1bqa h SER 52 CO -0.04 0.22 -0.12 0.58 -0.87 0.00 0.00 176.83 176.60 1bqa h VAL 53 N 0.36 1.40 -0.70 0.95 2.07 -1.70 -1.85 116.25 116.77 1bqa h VAL 53 Ca 0.13 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.33 1bqa h VAL 53 Cb 0.06 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1bqa h VAL 53 CO -0.03 0.39 0.39 0.50 0.02 0.00 0.00 177.57 178.84 1bqa h LYS 54 N -0.26 0.69 -0.51 1.57 1.63 -0.78 0.20 116.57 119.11 1bqa h LYS 54 Ca 0.01 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1bqa h LYS 54 Cb 0.68 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 1bqa h LYS 54 CO 0.03 0.45 0.28 0.87 -3.45 0.00 0.00 179.45 177.63 1bqa h LYS 55 N 0.71 0.70 -0.59 1.90 1.57 -1.25 -1.36 116.57 118.25 1bqa h LYS 55 Ca 0.32 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1bqa h LYS 55 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1bqa h LYS 55 CO -0.20 0.54 0.20 0.00 -0.57 0.00 0.00 179.45 179.42 1bqa h ALA 56 N 1.12 1.23 -0.19 3.86 0.00 -0.40 -2.32 119.26 122.56 1bqa h ALA 56 Ca 0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bqa h ALA 56 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1bqa h ALA 56 CO -0.03 0.55 -0.30 0.93 0.00 0.00 0.00 179.25 180.40 1bqa h GLU 57 N 0.87 0.38 -0.43 0.00 5.08 -0.07 -1.82 114.58 118.59 1bqa h GLU 57 Ca 0.20 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1bqa h GLU 57 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1bqa h GLU 57 CO -0.01 0.65 -0.08 0.37 -1.00 0.00 0.00 179.01 178.94 1bqa h GLN 58 N 0.33 0.81 -0.87 2.33 5.75 -0.89 -1.70 115.11 120.86 1bqa h GLN 58 Ca 0.04 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1bqa h GLN 58 Cb 0.70 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.16 1bqa h GLN 58 CO 0.05 0.91 0.55 -0.92 -2.65 0.00 0.00 178.83 176.77 1bqa h TYR 59 N 0.64 1.12 -0.40 3.99 3.20 -1.15 -1.88 116.97 122.49 1bqa h TYR 59 Ca 0.11 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1bqa h TYR 59 Cb 0.60 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1bqa h TYR 59 CO 0.05 0.73 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.00 1bqa h LEU 60 N 1.19 0.89 -0.61 2.82 3.38 -1.11 -0.75 115.31 121.11 1bqa h LEU 60 Ca 0.31 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1bqa h LEU 60 Cb -0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 1bqa h LEU 60 CO -0.06 1.11 0.29 0.25 0.09 0.00 0.00 178.44 180.12 1bqa h LEU 61 N 0.67 0.38 -0.37 1.67 5.85 -0.98 0.21 115.31 122.74 1bqa h LEU 61 Ca 0.08 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 1bqa h LEU 61 Cb 0.79 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1bqa h LEU 61 CO 0.07 0.24 -0.74 -0.33 -0.34 0.00 0.00 178.44 177.34 1bqa h GLU 62 N 0.53 0.00 0.00 1.25 5.08 -1.21 -3.37 114.58 116.86 1bqa h GLU 62 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1bqa h GLU 62 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1bqa h GLU 62 CO -0.23 0.74 -1.45 0.09 -1.00 0.00 0.00 179.01 177.16 1bqa n ASN 63 N -3.51 1.17 -4.71 1.42 3.02 -0.30 -4.98 115.26 107.37 1bqa n ASN 63 Ca -0.00 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 1bqa n ASN 63 Cb 0.76 1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 41.42 1bqa n ASN 63 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1bqa s GLU 64 N -2.93 4.27 0.00 3.52 2.02 0.69 -4.91 118.70 121.37 1bqa s GLU 64 Ca -0.03 2.16 0.05 0.00 0.02 0.00 0.00 54.97 57.18 1bqa s GLU 64 Cb 0.11 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 31.02 1bqa s GLU 64 CO 0.66 -0.54 0.54 0.25 0.02 0.00 0.00 175.26 176.18 1bqa n THR 66 N 4.18 0.00 -3.53 3.63 -2.24 -1.26 -5.00 114.28 110.07 1bqa n THR 66 Ca 0.13 -0.47 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1bqa n THR 66 Cb 0.41 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1bqa n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bqa s THR 67 N -0.76 0.00 -0.24 4.28 -1.32 -1.26 -5.03 115.64 111.31 1bqa s THR 67 Ca 0.05 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1bqa s THR 67 Cb 0.04 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.48 1bqa s THR 67 CO 0.11 0.00 1.31 0.29 -2.21 0.00 0.00 174.62 174.12 1bqa n LYS 68 N 0.65 1.69 -1.84 7.08 5.02 -1.26 -5.05 118.16 124.45 1bqa n LYS 68 Ca -0.15 -3.23 -0.39 0.00 -2.02 0.00 0.00 58.31 52.52 1bqa n LYS 68 Cb 0.58 -1.69 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1bqa n LYS 68 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1bqa s ASN 69 N -2.95 5.52 0.19 4.39 2.47 -1.26 -4.89 114.94 118.42 1bqa s ASN 69 Ca 0.40 2.75 -0.30 0.00 0.42 0.00 0.00 52.86 56.13 1bqa s ASN 69 Cb 0.38 -2.64 -0.17 0.00 -1.45 0.00 0.00 41.25 37.38 1bqa s ASN 69 CO -0.04 -1.40 0.78 -1.22 -3.72 0.00 0.00 177.10 171.51 1bqa n TYR 70 N -0.75 0.28 -2.19 0.43 4.01 -1.26 -4.98 117.16 112.69 1bqa n TYR 70 Ca 0.09 0.88 -0.26 0.00 -0.16 0.00 0.00 57.90 58.45 1bqa n TYR 70 Cb 0.45 -2.08 0.07 0.00 -0.31 0.00 0.00 39.34 37.46 1bqa n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bqa s LEU 71 N 1.75 2.81 0.89 7.72 1.43 -1.26 -5.04 118.68 126.98 1bqa s LEU 71 Ca 0.67 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1bqa s LEU 71 Cb -0.91 -3.12 0.13 0.00 0.03 0.00 0.00 46.19 42.31 1bqa s LEU 71 CO 0.56 -1.60 1.09 -0.83 0.23 0.00 0.00 176.35 175.81 1bqa s GLY 72 N -4.51 1.64 0.32 -3.19 0.00 -1.26 -4.82 107.32 95.48 1bqa s GLY 72 Ca 0.60 0.12 0.06 0.00 0.00 0.00 0.00 44.72 45.50 1bqa s GLY 72 CO 0.45 0.58 1.83 -2.22 0.00 0.00 0.00 173.10 173.74 1bqa h ILE 73 N -1.61 0.82 -0.08 0.90 2.04 -1.97 0.15 117.51 117.77 1bqa h ILE 73 Ca -0.48 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1bqa h ILE 73 Cb 1.27 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1bqa h ILE 73 CO 0.51 0.15 0.00 -0.90 0.00 0.00 0.00 178.15 177.91 1bqa n ASP 74 N -4.64 1.15 0.00 1.72 5.75 -1.26 -4.45 116.55 114.82 1bqa n ASP 74 Ca 0.20 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 1bqa n ASP 74 Cb 0.47 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1bqa n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bqa n GLY 75 N 1.06 -1.53 3.66 6.12 0.00 0.53 -1.16 105.19 113.87 1bqa n GLY 75 Ca 0.17 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1bqa n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bqa s ILE 76 N 0.00 3.41 0.13 -0.61 1.01 -1.26 -4.33 121.20 119.55 1bqa s ILE 76 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 60.91 1bqa s ILE 76 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1bqa s ILE 76 CO 0.00 -0.04 1.65 -0.65 0.00 0.00 0.00 174.94 175.90 1bqa h PRO 77 N 9.87 -0.28 -0.66 2.79 0.11 -1.98 -1.72 132.00 140.13 1bqa h PRO 77 Ca -0.42 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.81 1bqa h PRO 77 Cb 1.20 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1bqa h PRO 77 CO 0.95 -0.19 0.44 0.93 -0.21 0.00 0.00 178.00 179.92 1bqa h GLU 78 N -0.29 0.46 -0.68 1.05 3.07 -2.00 0.11 114.58 116.31 1bqa h GLU 78 Ca 0.08 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1bqa h GLU 78 Cb 0.40 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1bqa h GLU 78 CO -0.24 0.31 0.40 0.35 -1.40 0.00 0.00 179.01 178.42 1bqa h PHE 79 N 0.48 0.92 -0.15 4.33 3.57 -1.68 -0.64 116.94 123.78 1bqa h PHE 79 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1bqa h PHE 79 Cb 0.56 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1bqa h PHE 79 CO -0.00 0.64 0.08 0.78 -2.23 0.00 0.00 178.31 177.58 1bqa h GLY 80 N 0.93 0.22 1.01 2.40 0.00 -0.29 -1.31 103.07 106.03 1bqa h GLY 80 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1bqa h GLY 80 CO -0.04 0.10 0.03 0.07 0.00 0.00 0.00 176.54 176.69 1bqa h ARG 81 N 0.14 0.89 -0.77 4.80 0.11 -1.09 -1.12 114.38 117.33 1bqa h ARG 81 Ca 0.05 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 1bqa h ARG 81 Cb 0.08 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 1bqa h ARG 81 CO -0.01 0.90 0.31 0.00 0.10 0.00 0.00 179.97 181.27 1bqa h THR 83 N 1.12 1.16 -0.91 0.00 2.02 -0.94 -1.61 112.91 113.74 1bqa h THR 83 Ca 0.26 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1bqa h THR 83 Cb 0.20 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1bqa h THR 83 CO -0.02 0.16 0.55 1.56 0.37 0.00 0.00 175.52 178.14 1bqa h GLN 84 N 0.40 1.24 -0.54 6.66 4.20 -0.88 -1.41 115.11 124.77 1bqa h GLN 84 Ca 0.11 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1bqa h GLN 84 Cb 0.11 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1bqa h GLN 84 CO -0.02 0.87 0.16 0.93 -0.67 0.00 0.00 178.83 180.10 1bqa h GLU 85 N 1.26 0.85 -0.45 1.46 5.08 -1.11 0.15 114.58 121.82 1bqa h GLU 85 Ca 0.33 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1bqa h GLU 85 Cb -0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1bqa h GLU 85 CO -0.06 0.78 0.12 1.25 -1.00 0.00 0.00 179.01 180.10 1bqa h LEU 86 N 0.76 0.62 0.06 1.33 5.85 -0.98 1.00 115.31 123.95 1bqa h LEU 86 Ca 0.17 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bqa h LEU 86 Cb 0.29 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1bqa h LEU 86 CO -0.00 0.61 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.61 1bqa h LEU 87 N 0.65 -0.06 -0.81 2.25 4.07 -0.86 -3.38 115.31 117.16 1bqa h LEU 87 Ca 0.15 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1bqa h LEU 87 Cb 0.24 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1bqa h LEU 87 CO -0.00 0.62 -0.46 0.49 -1.08 0.00 0.00 178.44 178.01 1bqa n PHE 88 N -4.77 0.00 -0.14 1.13 3.72 0.48 -4.73 117.46 113.16 1bqa n PHE 88 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1bqa n PHE 88 Cb 0.24 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1bqa n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bqa n GLY 89 N 1.41 -3.06 3.77 1.37 0.00 0.35 -4.57 105.19 104.46 1bqa n GLY 89 Ca 0.10 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1bqa n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bqa s LYS 90 N -5.35 3.49 0.00 1.61 2.20 -1.24 -2.63 119.74 117.82 1bqa s LYS 90 Ca 0.00 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1bqa s LYS 90 Cb 0.00 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1bqa s LYS 90 CO 0.00 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 1bqa n GLY 91 N 0.34 0.75 3.77 5.54 0.00 -1.26 -5.01 105.19 109.32 1bqa n GLY 91 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bqa n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bqa s SER 92 N -2.51 6.31 0.31 1.61 0.15 -1.08 -4.89 113.70 113.60 1bqa s SER 92 Ca 0.00 2.61 0.02 0.00 0.70 0.00 0.00 55.95 59.28 1bqa s SER 92 Cb 0.00 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.18 1bqa s SER 92 CO 0.00 -0.85 1.85 0.00 1.20 0.00 0.00 173.24 175.44 1bqa h ALA 93 N 2.63 1.29 -0.77 5.45 0.00 -1.92 -1.65 119.26 124.29 1bqa h ALA 93 Ca -0.49 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.30 1bqa h ALA 93 Cb 1.25 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1bqa h ALA 93 CO 0.62 0.49 0.50 -0.07 0.00 0.00 0.00 179.25 180.79 1bqa h LEU 94 N 0.64 0.63 0.02 0.00 4.07 -1.96 0.21 115.31 118.92 1bqa h LEU 94 Ca 0.14 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1bqa h LEU 94 Cb 0.32 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1bqa h LEU 94 CO 0.01 0.38 -0.01 0.40 -1.08 0.00 0.00 178.44 178.13 1bqa h ILE 95 N 0.70 1.29 0.00 1.22 2.04 -1.79 -1.54 117.51 119.44 1bqa h ILE 95 Ca 0.35 -1.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 1bqa h ILE 95 Cb 0.44 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1bqa h ILE 95 CO -0.13 0.42 -0.02 0.78 0.00 0.00 0.00 178.15 179.20 1bqa h ASN 96 N -0.95 0.00 -0.11 1.72 2.35 -1.03 0.46 115.58 118.03 1bqa h ASN 96 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bqa h ASN 96 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1bqa h ASN 96 CO 0.00 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 1bqa n ASP 97 N -3.73 2.17 -3.88 5.81 8.00 0.72 -4.96 116.55 120.69 1bqa n ASP 97 Ca -0.03 -1.74 -0.24 0.00 0.71 0.00 0.00 54.79 53.49 1bqa n ASP 97 Cb 0.11 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1bqa n ASP 97 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bqa n LYS 98 N 0.67 -3.71 0.00 -1.24 5.02 0.15 -4.33 118.16 114.73 1bqa n LYS 98 Ca 0.17 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 57.04 1bqa n LYS 98 Cb 0.44 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1bqa n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bqa n ARG 99 N -4.36 0.67 -5.13 1.97 1.74 -0.59 -3.56 116.66 107.40 1bqa n ARG 99 Ca -0.31 -0.54 -0.30 0.00 -0.77 0.00 0.00 57.85 55.94 1bqa n ARG 99 Cb 0.68 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 1bqa n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bqa s ALA 100 N -2.70 2.08 -0.03 7.54 0.00 -1.25 -1.71 121.76 125.70 1bqa s ALA 100 Ca 0.15 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1bqa s ALA 100 Cb 0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1bqa s ALA 100 CO 0.68 0.50 -0.18 1.03 0.00 0.00 0.00 175.76 177.80 1bqa s ARG 101 N -0.76 1.62 -0.04 0.00 1.81 -0.58 -4.98 118.95 116.02 1bqa s ARG 101 Ca 0.10 -0.65 0.06 0.00 -1.72 0.00 0.00 55.73 53.52 1bqa s ARG 101 Cb -0.10 -1.50 -0.01 0.00 -0.45 0.00 0.00 34.95 32.89 1bqa s ARG 101 CO -0.00 0.35 -0.22 0.99 -0.68 0.00 0.00 175.30 175.73 1bqa s THR 102 N -0.27 1.81 -0.09 0.02 2.01 -1.26 -0.82 115.64 117.04 1bqa s THR 102 Ca 0.03 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1bqa s THR 102 Cb -0.09 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 1bqa s THR 102 CO 0.00 0.51 -0.21 0.00 -0.69 0.00 0.00 174.62 174.23 1bqa s ALA 103 N -0.20 2.31 0.04 7.40 0.00 -0.44 -4.88 121.76 125.99 1bqa s ALA 103 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1bqa s ALA 103 Cb -0.12 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1bqa s ALA 103 CO 0.02 0.35 1.12 -1.14 0.00 0.00 0.00 175.76 176.11 1bqa s GLN 104 N 0.08 4.47 0.21 0.00 0.74 -0.31 -0.80 119.66 124.06 1bqa s GLN 104 Ca -0.09 1.64 0.04 0.00 0.05 0.00 0.00 55.36 57.00 1bqa s GLN 104 Cb -0.15 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 1bqa s GLN 104 CO 0.06 -0.19 -0.02 0.95 -0.55 0.00 0.00 175.29 175.53 1bqa s THR 105 N 1.08 1.03 -1.18 -0.34 -4.23 0.09 -4.66 115.64 107.44 1bqa s THR 105 Ca 0.56 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1bqa s THR 105 Cb -0.26 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1bqa s THR 105 CO 0.29 -0.41 1.81 -2.16 -0.54 0.00 0.00 174.62 173.61 1bqa s PRO 106 N -3.85 3.18 0.02 3.99 0.04 -1.26 -1.76 135.00 135.36 1bqa s PRO 106 Ca 0.26 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1bqa s PRO 106 Cb 0.05 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1bqa s PRO 106 CO 0.07 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1bqa n GLY 107 N 5.88 -1.72 0.29 0.56 0.00 -1.01 -2.84 105.19 106.35 1bqa n GLY 107 Ca 0.45 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1bqa n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bqa h GLY 108 N -0.07 1.09 0.58 -0.02 0.00 -1.77 -2.27 103.07 100.61 1bqa h GLY 108 Ca -0.00 -0.81 0.05 0.00 0.00 0.00 0.00 47.33 46.57 1bqa h GLY 108 CO 0.00 0.75 0.08 -0.84 0.00 0.00 0.00 176.54 176.53 1bqa h THR 109 N 0.89 0.83 -0.90 4.70 2.02 -1.91 -0.35 112.91 118.19 1bqa h THR 109 Ca 0.16 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1bqa h THR 109 Cb 0.57 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1bqa h THR 109 CO 0.03 0.04 0.59 1.23 0.37 0.00 0.00 175.52 177.78 1bqa h GLY 110 N 0.21 1.29 1.02 2.16 0.00 -1.36 -0.68 103.07 105.71 1bqa h GLY 110 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1bqa h GLY 110 CO -0.22 0.38 0.29 0.00 0.00 0.00 0.00 176.54 176.99 1bqa h ALA 111 N 1.48 0.91 0.02 3.60 0.00 -0.64 -0.96 119.26 123.67 1bqa h ALA 111 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bqa h ALA 111 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1bqa h ALA 111 CO -0.11 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.58 1bqa h LEU 112 N 1.00 -0.02 -0.57 0.00 4.07 0.02 -1.40 115.31 118.40 1bqa h LEU 112 Ca 0.23 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.19 1bqa h LEU 112 Cb 0.20 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1bqa h LEU 112 CO -0.02 0.02 0.33 -0.09 -1.08 0.00 0.00 178.44 177.60 1bqa h ARG 113 N -0.07 0.63 -0.84 1.13 9.65 -0.99 -0.56 114.38 123.33 1bqa h ARG 113 Ca -0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1bqa h ARG 113 Cb 0.06 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 1bqa h ARG 113 CO 0.00 0.42 0.49 0.28 2.80 0.00 0.00 179.97 183.96 1bqa h VAL 114 N 0.65 1.24 -0.41 0.20 2.07 -0.98 -0.49 116.25 118.53 1bqa h VAL 114 Ca 0.24 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1bqa h VAL 114 Cb 0.06 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1bqa h VAL 114 CO -0.12 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.87 1bqa h ALA 115 N 1.26 0.53 0.07 1.67 0.00 -0.78 -1.16 119.26 120.85 1bqa h ALA 115 Ca 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bqa h ALA 115 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bqa h ALA 115 CO -0.05 0.16 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 1bqa h ALA 116 N 0.99 -0.20 -0.72 0.00 0.00 -0.61 0.27 119.26 118.99 1bqa h ALA 116 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1bqa h ALA 116 Cb 0.22 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1bqa h ALA 116 CO -0.01 -0.64 0.48 -0.44 0.00 0.00 0.00 179.25 178.64 1bqa h ASP 117 N -0.25 0.83 0.14 0.00 3.32 -1.02 0.93 116.42 120.36 1bqa h ASP 117 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1bqa h ASP 117 Cb 0.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1bqa h ASP 117 CO -0.07 0.60 -0.07 0.15 -1.72 0.00 0.00 179.24 178.13 1bqa h PHE 118 N 0.97 -0.17 -0.40 4.55 3.57 -0.94 -2.24 116.94 122.29 1bqa h PHE 118 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1bqa h PHE 118 Cb -0.11 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1bqa h PHE 118 CO -0.02 -0.10 0.22 -0.07 -2.23 0.00 0.00 178.31 176.11 1bqa h LEU 119 N -0.19 0.49 -1.20 0.59 3.38 -0.67 -0.89 115.31 116.82 1bqa h LEU 119 Ca -0.02 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1bqa h LEU 119 Cb 0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1bqa h LEU 119 CO 0.03 0.42 0.57 0.00 0.09 0.00 0.00 178.44 179.56 1bqa h ALA 120 N 1.08 1.61 0.00 1.53 0.00 -0.68 -1.63 119.26 121.17 1bqa h ALA 120 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bqa h ALA 120 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1bqa h ALA 120 CO -0.02 0.23 -1.74 1.63 0.00 0.00 0.00 179.25 179.34 1bqa n LYS 121 N -4.51 0.55 0.00 0.00 4.76 -0.86 -4.57 118.16 113.53 1bqa n LYS 121 Ca 0.14 -0.14 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1bqa n LYS 121 Cb 0.27 -1.54 -0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1bqa n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bqa n ASN 122 N -2.17 0.94 -3.68 4.39 3.02 -0.35 -5.05 115.26 112.36 1bqa n ASN 122 Ca -0.02 -0.97 -0.23 0.00 -0.03 0.00 0.00 54.58 53.32 1bqa n ASN 122 Cb 0.53 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 40.13 1bqa n ASN 122 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1bqa n THR 123 N -0.38 0.00 0.41 3.41 -2.24 -0.62 -5.03 114.28 109.83 1bqa n THR 123 Ca 0.03 -2.28 0.11 0.00 -2.27 0.00 0.00 64.05 59.63 1bqa n THR 123 Cb 0.14 0.87 0.27 0.00 -2.10 0.00 0.00 70.33 69.50 1bqa n THR 123 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bqa n SER 124 N -1.58 2.98 -4.75 3.42 3.41 -1.26 -4.79 113.62 111.05 1bqa n SER 124 Ca -0.04 -1.94 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 1bqa n SER 124 Cb 0.58 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1bqa n SER 124 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1bqa n VAL 125 N 1.15 2.12 0.00 -3.33 0.31 -1.26 -4.87 118.33 112.45 1bqa n VAL 125 Ca 0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1bqa n VAL 125 Cb 0.51 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1bqa n VAL 125 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1bqa n LYS 126 N 0.37 4.66 -4.24 5.55 4.76 -1.26 -4.80 118.16 123.20 1bqa n LYS 126 Ca 0.03 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 1bqa n LYS 126 Cb 0.38 -0.57 -0.13 0.00 -1.84 0.00 0.00 35.03 32.87 1bqa n LYS 126 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1bqa s ARG 129 N -0.38 0.80 -0.05 1.97 0.52 -1.26 -0.52 118.95 120.03 1bqa s ARG 129 Ca 0.00 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1bqa s ARG 129 Cb 0.00 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.73 1bqa s ARG 129 CO 0.00 0.18 -0.05 0.54 0.02 0.00 0.00 175.30 175.99 1bqa s VAL 133 N -0.99 0.62 -0.20 3.52 0.11 0.17 -2.27 120.40 121.36 1bqa s VAL 133 Ca -0.01 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 58.73 1bqa s VAL 133 Cb -0.08 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1bqa s VAL 133 CO 0.01 0.25 0.33 0.26 -3.33 0.00 0.00 175.10 172.62 1bqa s TRP 134 N 0.97 3.39 0.13 1.54 0.52 0.44 -0.80 118.94 125.14 1bqa s TRP 134 Ca -0.10 0.55 0.09 0.00 0.02 0.00 0.00 56.10 56.66 1bqa s TRP 134 Cb -0.14 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 1bqa s TRP 134 CO -0.00 0.08 -0.21 0.14 0.02 0.00 0.00 176.95 176.97 1bqa s VAL 135 N 1.02 1.88 0.67 4.03 -7.23 0.30 -0.84 120.40 120.22 1bqa s VAL 135 Ca 0.16 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 1bqa s VAL 135 Cb -0.14 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1bqa s VAL 135 CO 0.06 -0.12 1.09 -0.94 -0.31 0.00 0.00 175.10 174.88 1bqa s SER 136 N -2.23 5.22 -0.29 4.85 1.04 -1.26 -0.67 113.70 120.35 1bqa s SER 136 Ca 0.12 1.87 -0.02 0.00 0.48 0.00 0.00 55.95 58.39 1bqa s SER 136 Cb -0.09 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.54 1bqa s SER 136 CO 0.06 -1.56 -0.00 0.21 0.98 0.00 0.00 173.24 172.93 1bqa s ASN 137 N -2.93 4.81 0.75 7.02 3.84 0.13 -2.33 114.94 126.23 1bqa s ASN 137 Ca 0.64 -1.15 -0.03 0.00 0.21 0.00 0.00 52.86 52.53 1bqa s ASN 137 Cb -0.18 -1.72 0.13 0.00 -0.55 0.00 0.00 41.25 38.93 1bqa s ASN 137 CO 0.45 -0.23 0.87 -0.81 -2.79 0.00 0.00 177.10 174.58 1bqa n PRO 138 N 4.66 -0.22 -3.52 0.43 -0.04 -1.26 -3.23 135.00 131.82 1bqa n PRO 138 Ca -0.14 -2.08 -0.12 0.00 -0.04 0.00 0.00 63.50 61.12 1bqa n PRO 138 Cb 0.44 -0.67 -0.04 0.00 -0.04 0.00 0.00 33.50 33.20 1bqa n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bqa s SER 139 N -4.45 -0.44 -0.41 3.54 0.15 -0.98 -4.80 113.70 106.31 1bqa s SER 139 Ca 0.55 -0.05 -0.44 0.00 0.70 0.00 0.00 55.95 56.72 1bqa s SER 139 Cb -0.03 0.54 -0.18 0.00 -1.71 0.00 0.00 66.02 64.64 1bqa s SER 139 CO 0.37 -0.87 1.72 1.87 1.20 0.00 0.00 173.24 177.53 1bqa n TRP 140 N -0.14 1.84 0.04 3.44 -0.00 -1.18 -4.78 117.44 116.66 1bqa n TRP 140 Ca -0.17 0.85 0.20 0.00 -0.00 0.00 0.00 57.50 58.37 1bqa n TRP 140 Cb 0.63 -2.34 0.71 0.00 -0.00 0.00 0.00 31.31 30.31 1bqa n TRP 140 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1bqa h PRO 141 N 6.42 0.00 0.00 5.87 0.11 -1.99 -1.69 132.00 140.72 1bqa h PRO 141 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bqa h PRO 141 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1bqa h PRO 141 CO 0.98 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 177.06 1bqa n ASN 142 N -4.26 0.61 -0.21 -2.05 5.15 -1.26 -2.92 115.26 110.31 1bqa n ASN 142 Ca 0.08 0.66 -0.06 0.00 -0.60 0.00 0.00 54.58 54.66 1bqa n ASN 142 Cb 0.57 -0.78 0.04 0.00 -0.53 0.00 0.00 39.78 39.07 1bqa n ASN 142 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1bqa h HIS 143 N 0.00 0.77 0.26 1.20 3.86 -1.65 -2.36 115.15 117.23 1bqa h HIS 143 Ca 0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bqa h HIS 143 Cb 0.34 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1bqa h HIS 143 CO 0.00 0.51 -0.20 -0.22 0.86 0.00 0.00 177.93 178.88 1bqa h LYS 144 N 0.81 -0.45 -0.49 2.45 1.63 -1.74 -2.58 116.57 116.22 1bqa h LYS 144 Ca 0.22 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.11 1bqa h LYS 144 Cb -0.05 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 1bqa h LYS 144 CO -0.04 -0.30 0.20 0.77 -3.45 0.00 0.00 179.45 176.63 1bqa h SER 145 N -0.46 0.24 0.48 4.20 0.02 -1.67 0.48 113.55 116.84 1bqa h SER 145 Ca -0.02 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1bqa h SER 145 Cb 0.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1bqa h SER 145 CO -0.01 0.17 -0.30 0.58 -1.14 0.00 0.00 176.83 176.13 1bqa h VAL 146 N 0.39 0.38 -0.68 2.27 2.07 -1.34 -0.44 116.25 118.90 1bqa h VAL 146 Ca 0.23 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1bqa h VAL 146 Cb 0.21 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1bqa h VAL 146 CO -0.21 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.30 1bqa h PHE 147 N -0.75 1.14 -0.73 1.57 0.04 -1.32 -2.76 116.94 114.13 1bqa h PHE 147 Ca -0.05 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.55 1bqa h PHE 147 Cb 0.61 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1bqa h PHE 147 CO -0.10 0.93 0.33 -0.91 -0.60 0.00 0.00 178.31 177.96 1bqa h ASN 148 N 1.02 0.98 -0.39 2.17 -0.26 -0.85 -0.60 115.58 117.65 1bqa h ASN 148 Ca 0.22 -0.15 0.11 0.00 -0.56 0.00 0.00 56.30 55.92 1bqa h ASN 148 Cb 0.35 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1bqa h ASN 148 CO -0.00 0.86 0.29 0.77 -1.06 0.00 0.00 177.43 178.29 1bqa h SER 149 N 1.04 0.00 0.14 5.81 4.64 -0.78 0.71 113.55 125.11 1bqa h SER 149 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1bqa h SER 149 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1bqa h SER 149 CO -0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.83 1bqa n ALA 150 N -2.58 2.78 -1.21 5.18 0.00 -0.68 -4.90 120.51 119.10 1bqa n ALA 150 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1bqa n ALA 150 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1bqa n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bqa n GLY 151 N 1.23 0.69 3.87 0.00 0.00 0.25 -4.88 105.19 106.35 1bqa n GLY 151 Ca 0.16 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1bqa n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bqa s LEU 152 N 0.00 4.23 0.12 0.99 1.02 -0.32 -5.00 118.68 119.72 1bqa s LEU 152 Ca 0.00 0.28 -0.24 0.00 0.02 0.00 0.00 54.13 54.20 1bqa s LEU 152 Cb 0.00 -2.52 -0.07 0.00 0.02 0.00 0.00 46.19 43.62 1bqa s LEU 152 CO 0.00 0.26 0.72 -0.70 0.02 0.00 0.00 176.35 176.65 1bqa s GLU 154 N -1.90 4.46 -0.14 1.70 2.12 0.32 -3.75 118.70 121.51 1bqa s GLU 154 Ca 0.26 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.62 1bqa s GLU 154 Cb -0.12 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1bqa s GLU 154 CO 0.18 0.55 -0.16 0.08 -0.54 0.00 0.00 175.26 175.37 1bqa s VAL 155 N -0.96 2.72 0.32 3.70 1.01 -1.26 0.41 120.40 126.33 1bqa s VAL 155 Ca 0.34 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1bqa s VAL 155 Cb -0.22 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1bqa s VAL 155 CO 0.24 0.52 -0.11 -0.13 0.00 0.00 0.00 175.10 175.62 1bqa s ARG 156 N 0.61 1.84 -0.06 2.72 1.81 0.02 -4.94 118.95 120.95 1bqa s ARG 156 Ca -0.09 -1.82 0.05 0.00 -1.72 0.00 0.00 55.73 52.15 1bqa s ARG 156 Cb -0.16 -1.79 -0.02 0.00 -0.45 0.00 0.00 34.95 32.53 1bqa s ARG 156 CO 0.03 0.22 -0.21 -1.21 -0.68 0.00 0.00 175.30 173.45 1bqa s GLU 157 N -3.60 2.64 0.12 3.54 2.02 -1.26 -0.54 118.70 121.64 1bqa s GLU 157 Ca 0.32 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.54 1bqa s GLU 157 Cb -0.01 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1bqa s GLU 157 CO 0.17 0.42 0.01 1.52 0.02 0.00 0.00 175.26 177.39 1bqa s TYR 158 N -0.23 2.95 0.43 1.61 -0.85 0.15 -4.92 117.35 116.49 1bqa s TYR 158 Ca -0.01 -0.06 -0.24 0.00 -0.52 0.00 0.00 57.07 56.24 1bqa s TYR 158 Cb -0.13 -1.48 -0.08 0.00 0.38 0.00 0.00 41.96 40.65 1bqa s TYR 158 CO 0.03 0.49 1.16 0.00 -1.52 0.00 0.00 175.55 175.71 1bqa s ALA 159 N -1.48 3.06 0.32 9.51 0.00 -1.26 -0.69 121.76 131.22 1bqa s ALA 159 Ca 0.27 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1bqa s ALA 159 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1bqa s ALA 159 CO 0.19 -0.58 0.00 0.98 0.00 0.00 0.00 175.76 176.35 1bqa n TYR 160 N -0.22 -3.23 -3.08 0.00 9.36 -1.24 -3.92 117.16 114.83 1bqa n TYR 160 Ca 0.06 0.86 -0.35 0.00 3.32 0.00 0.00 57.90 61.79 1bqa n TYR 160 Cb 0.47 1.96 -0.06 0.00 -0.63 0.00 0.00 39.34 41.08 1bqa n TYR 160 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1bqa s TYR 161 N -1.82 3.55 -0.64 2.98 5.04 -1.20 -1.54 117.35 123.72 1bqa s TYR 161 Ca 0.00 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1bqa s TYR 161 Cb 0.00 -2.63 0.16 0.00 0.35 0.00 0.00 41.96 39.85 1bqa s TYR 161 CO 0.00 0.24 0.44 0.34 -1.34 0.00 0.00 175.55 175.22 1bqa s ASP 162 N -1.86 5.00 0.66 4.32 -1.08 0.63 -4.77 116.67 119.57 1bqa s ASP 162 Ca 0.48 -3.15 0.27 0.00 -0.52 0.00 0.00 52.55 49.62 1bqa s ASP 162 Cb -0.15 -1.77 1.46 0.00 -1.46 0.00 0.00 42.92 41.01 1bqa s ASP 162 CO 0.20 -0.26 1.82 0.00 0.52 0.00 0.00 175.17 177.44 1bqa h ALA 163 N 6.52 1.40 0.00 3.66 0.00 -1.96 1.14 119.26 130.02 1bqa h ALA 163 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1bqa h ALA 163 Cb 0.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bqa h ALA 163 CO 0.72 -0.40 -0.12 0.93 0.00 0.00 0.00 179.25 180.39 1bqa h GLU 164 N 0.00 0.00 -0.02 0.00 5.08 -1.96 -3.37 114.58 114.31 1bqa h GLU 164 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bqa h GLU 164 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1bqa h GLU 164 CO 0.00 0.41 -0.04 0.09 -1.00 0.00 0.00 179.01 178.48 1bqa n ASN 165 N -4.69 2.02 -3.65 1.42 3.02 -0.95 -4.96 115.26 107.47 1bqa n ASN 165 Ca -0.06 -1.64 -0.26 0.00 -0.03 0.00 0.00 54.58 52.59 1bqa n ASN 165 Cb 0.23 0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1bqa n ASN 165 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1bqa n HIS 166 N 0.53 -1.96 -4.00 3.10 8.25 0.39 -4.96 115.22 116.57 1bqa n HIS 166 Ca 0.16 0.63 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 1bqa n HIS 166 Cb 0.45 -3.80 -0.02 0.00 1.12 0.00 0.00 29.99 27.74 1bqa n HIS 166 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1bqa s THR 167 N -3.55 0.00 -0.42 1.59 -1.32 -1.15 -4.94 115.64 105.84 1bqa s THR 167 Ca 0.31 -1.40 -0.25 0.00 -1.21 0.00 0.00 61.69 59.14 1bqa s THR 167 Cb -0.10 -2.75 0.02 0.00 -1.51 0.00 0.00 72.50 68.17 1bqa s THR 167 CO 0.83 0.00 0.87 -0.22 -2.21 0.00 0.00 174.62 173.90 1bqa s LEU 168 N -3.20 4.07 -1.27 9.08 0.20 -1.26 -0.27 118.68 126.04 1bqa s LEU 168 Ca 0.26 0.21 -0.15 0.00 0.69 0.00 0.00 54.13 55.13 1bqa s LEU 168 Cb -0.02 -3.13 0.12 0.00 -0.43 0.00 0.00 46.19 42.72 1bqa s LEU 168 CO 0.18 -0.93 1.65 -0.67 -0.29 0.00 0.00 176.35 176.29 1bqa n ASP 169 N 6.86 5.01 -0.27 3.68 -0.08 -0.59 -4.81 116.55 126.35 1bqa n ASP 169 Ca 0.05 -2.95 0.08 0.00 -1.51 0.00 0.00 54.79 50.46 1bqa n ASP 169 Cb 0.48 -1.65 0.22 0.00 2.34 0.00 0.00 41.12 42.51 1bqa n ASP 169 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1bqa h PHE 170 N 7.18 0.43 0.45 -0.67 3.57 -1.93 -1.02 116.94 124.95 1bqa h PHE 170 Ca 0.40 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 1bqa h PHE 170 Cb 0.84 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1bqa h PHE 170 CO 1.28 -0.05 -0.27 -0.44 -2.23 0.00 0.00 178.31 176.61 1bqa h ASP 171 N 0.34 -0.67 -0.76 0.41 3.32 -1.98 0.99 116.42 118.07 1bqa h ASP 171 Ca 0.46 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.63 1bqa h ASP 171 Cb 0.80 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 1bqa h ASP 171 CO -0.50 -0.43 0.50 0.00 -1.72 0.00 0.00 179.24 177.09 1bqa h ALA 172 N -0.16 1.76 0.84 3.45 0.00 -1.82 0.51 119.26 123.84 1bqa h ALA 172 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1bqa h ALA 172 Cb 0.55 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bqa h ALA 172 CO 0.06 0.10 -0.40 1.25 0.00 0.00 0.00 179.25 180.25 1bqa h LEU 173 N 0.72 -0.95 -1.12 0.00 5.85 -0.62 0.85 115.31 120.04 1bqa h LEU 173 Ca 0.35 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.26 1bqa h LEU 173 Cb 0.40 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1bqa h LEU 173 CO -0.13 -0.61 0.61 0.40 -0.34 0.00 0.00 178.44 178.37 1bqa h ILE 174 N -1.26 0.80 -0.19 4.05 1.08 -0.44 -1.33 117.51 120.21 1bqa h ILE 174 Ca -0.11 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1bqa h ILE 174 Cb 0.86 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1bqa h ILE 174 CO 0.19 0.14 -0.03 0.78 -0.69 0.00 0.00 178.15 178.54 1bqa h ASN 175 N 0.79 0.36 -0.65 1.72 4.21 -0.71 -3.07 115.58 118.22 1bqa h ASN 175 Ca 0.51 -0.35 -0.09 0.00 1.21 0.00 0.00 56.30 57.59 1bqa h ASN 175 Cb 0.76 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.84 1bqa h ASN 175 CO -0.28 0.63 0.07 0.77 -1.29 0.00 0.00 177.43 177.33 1bqa h SER 176 N 0.09 1.07 0.25 5.81 4.64 -0.20 -2.67 113.55 122.54 1bqa h SER 176 Ca 0.05 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1bqa h SER 176 Cb 0.46 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1bqa h SER 176 CO 0.02 1.08 0.00 0.18 -0.87 0.00 0.00 176.83 177.23 1bqa n LEU 177 N -4.20 0.00 0.14 5.97 4.77 -0.56 -1.96 117.00 121.16 1bqa n LEU 177 Ca 0.04 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 1bqa n LEU 177 Cb 0.31 -0.32 0.42 0.00 -2.33 0.00 0.00 43.42 41.50 1bqa n LEU 177 CO 0.44 -0.20 0.88 0.78 -1.33 0.00 0.00 177.39 177.96 1bqa h ASN 178 N 0.00 0.00 1.18 -1.43 -0.26 -1.38 -2.53 115.58 111.16 1bqa h ASN 178 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1bqa h ASN 178 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1bqa h ASN 178 CO 0.00 0.00 -0.01 1.21 -1.06 0.00 0.00 177.43 177.57 1bqa n GLU 179 N -2.42 0.10 -2.76 0.81 4.07 -0.83 -4.80 120.64 114.82 1bqa n GLU 179 Ca 0.04 0.08 -0.42 0.00 -0.06 0.00 0.00 57.16 56.81 1bqa n GLU 179 Cb 0.38 -1.62 -0.03 0.00 -0.06 0.00 0.00 31.44 30.11 1bqa n GLU 179 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bqa s ALA 180 N -3.04 3.19 0.47 4.31 0.00 -0.95 -5.05 121.76 120.69 1bqa s ALA 180 Ca 0.13 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1bqa s ALA 180 Cb 0.16 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1bqa s ALA 180 CO 0.56 -0.19 0.71 1.14 0.00 0.00 0.00 175.76 177.98 1bqa s GLN 181 N 0.89 3.06 0.34 0.00 -2.07 -1.26 -5.01 119.66 115.61 1bqa s GLN 181 Ca 0.50 -0.38 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 1bqa s GLN 181 Cb -0.21 -2.50 -0.11 0.00 -1.09 0.00 0.00 33.01 29.10 1bqa s GLN 181 CO 0.27 -0.34 1.45 0.00 -1.32 0.00 0.00 175.29 175.35 1bqa s ALA 182 N -2.63 3.58 0.00 2.60 0.00 -1.23 -1.89 121.76 122.19 1bqa s ALA 182 Ca 0.49 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1bqa s ALA 182 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1bqa s ALA 182 CO 0.39 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1bqa n GLY 183 N 0.91 0.57 3.86 0.00 0.00 0.11 -4.99 105.19 105.66 1bqa n GLY 183 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1bqa n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqa s ASP 184 N -2.56 6.66 -0.11 1.61 1.01 -0.79 -4.46 116.67 118.03 1bqa s ASP 184 Ca 0.00 1.24 -0.05 0.00 0.71 0.00 0.00 52.55 54.46 1bqa s ASP 184 Cb 0.00 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1bqa s ASP 184 CO 0.00 -0.32 0.07 0.68 0.21 0.00 0.00 175.17 175.81 1bqa s VAL 185 N -2.20 4.89 -0.14 -1.27 -7.23 -0.96 -1.21 120.40 112.27 1bqa s VAL 185 Ca 0.53 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.69 1bqa s VAL 185 Cb -0.10 -3.10 -0.00 0.00 0.56 0.00 0.00 36.38 33.74 1bqa s VAL 185 CO 0.24 0.60 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.78 1bqa s VAL 186 N -0.88 2.59 -0.18 1.32 1.01 -0.61 -0.42 120.40 123.22 1bqa s VAL 186 Ca 0.13 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1bqa s VAL 186 Cb -0.12 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1bqa s VAL 186 CO 0.03 0.52 0.19 -0.22 0.00 0.00 0.00 175.10 175.62 1bqa s LEU 187 N 0.69 4.23 0.05 3.92 0.20 -0.02 -1.15 118.68 126.61 1bqa s LEU 187 Ca -0.08 0.34 0.08 0.00 0.69 0.00 0.00 54.13 55.16 1bqa s LEU 187 Cb -0.16 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 1bqa s LEU 187 CO 0.02 0.16 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.65 1bqa s PHE 188 N 0.37 1.96 -0.21 5.38 0.08 -0.48 -4.55 117.98 120.54 1bqa s PHE 188 Ca 0.11 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.56 1bqa s PHE 188 Cb -0.12 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1bqa s PHE 188 CO 0.00 0.12 0.68 -1.01 -0.10 0.00 0.00 175.22 174.91 1bqa s HIS 189 N -0.84 3.36 0.28 0.36 3.76 -1.26 -0.49 115.29 120.45 1bqa s HIS 189 Ca 0.09 0.98 -0.00 0.00 -0.15 0.00 0.00 55.06 55.98 1bqa s HIS 189 Cb -0.09 -2.86 0.50 0.00 1.11 0.00 0.00 32.58 31.23 1bqa s HIS 189 CO 0.02 -0.23 1.86 0.78 -0.85 0.00 0.00 174.74 176.32 1bqa h GLY 190 N 8.41 1.60 -3.25 -2.22 0.00 -1.57 -3.46 103.07 102.57 1bqa h GLY 190 Ca -0.30 -0.45 0.16 0.00 0.00 0.00 0.00 47.33 46.75 1bqa h GLY 190 CO 0.79 0.23 0.57 0.00 0.00 0.00 0.00 176.54 178.14 1bqa n HIS 193 N -3.88 1.19 -3.53 0.00 -0.00 -1.26 -4.72 115.22 103.03 1bqa n HIS 193 Ca -0.19 0.92 -0.40 0.00 0.46 0.00 0.00 57.72 58.51 1bqa n HIS 193 Cb 0.64 -2.21 -0.10 0.00 -0.12 0.00 0.00 29.99 28.20 1bqa n HIS 193 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1bqa s ASN 194 N 0.97 6.07 -0.24 0.26 3.84 -1.26 0.15 114.94 124.74 1bqa s ASN 194 Ca 0.92 -0.24 0.10 0.00 0.21 0.00 0.00 52.86 53.85 1bqa s ASN 194 Cb -1.21 -2.14 0.44 0.00 -0.55 0.00 0.00 41.25 37.79 1bqa s ASN 194 CO 0.59 -0.19 1.21 0.00 -2.79 0.00 0.00 177.10 175.92 1bqa n ALA 195 N 5.14 4.15 0.05 1.71 0.00 -1.26 -3.08 120.51 127.23 1bqa n ALA 195 Ca -0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 53.44 49.80 1bqa n ALA 195 Cb 0.50 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1bqa n ALA 195 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bqa h THR 196 N 1.60 1.19 0.00 0.00 1.35 -1.65 -3.02 112.91 112.39 1bqa h THR 196 Ca 0.14 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1bqa h THR 196 Cb 1.23 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1bqa h THR 196 CO 0.30 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1bqa n GLY 197 N 1.38 0.79 3.59 5.82 0.00 0.12 -4.53 105.19 112.35 1bqa n GLY 197 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1bqa n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bqa s ILE 198 N -3.26 5.08 0.23 -0.61 1.01 -1.26 -0.09 121.20 122.29 1bqa s ILE 198 Ca 0.00 0.54 0.10 0.00 0.00 0.00 0.00 60.65 61.28 1bqa s ILE 198 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1bqa s ILE 198 CO 0.00 -0.03 -0.08 -1.81 0.00 0.00 0.00 174.94 173.02 1bqa s ASP 199 N 1.67 4.25 0.55 3.58 1.01 -1.26 -4.40 116.67 122.07 1bqa s ASP 199 Ca 0.18 -0.68 -0.16 0.00 0.71 0.00 0.00 52.55 52.61 1bqa s ASP 199 Cb -0.16 -0.69 -0.06 0.00 1.01 0.00 0.00 42.92 43.02 1bqa s ASP 199 CO 0.11 0.05 1.01 -2.84 0.21 0.00 0.00 175.17 173.72 1bqa s PRO 200 N -3.25 3.69 0.78 8.23 0.02 -1.26 -5.00 135.00 138.20 1bqa s PRO 200 Ca 0.28 1.02 -0.12 0.00 0.02 0.00 0.00 61.00 62.20 1bqa s PRO 200 Cb -0.07 -2.09 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1bqa s PRO 200 CO 0.17 -0.49 1.13 0.95 -0.33 0.00 0.00 177.00 178.42 1bqa s THR 201 N -2.62 2.81 0.21 0.99 -4.23 -1.26 -4.75 115.64 106.79 1bqa s THR 201 Ca 0.60 0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1bqa s THR 201 Cb -0.12 -3.18 0.16 0.00 1.34 0.00 0.00 72.50 70.70 1bqa s THR 201 CO 0.35 -0.34 1.77 0.25 -0.54 0.00 0.00 174.62 176.11 1bqa h LEU 202 N -0.96 0.37 -1.16 4.79 6.46 -1.99 0.27 115.31 123.10 1bqa h LEU 202 Ca -0.46 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.30 1bqa h LEU 202 Cb 1.29 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1bqa h LEU 202 CO 0.63 0.22 -0.03 -0.33 -0.62 0.00 0.00 178.44 178.31 1bqa h GLU 203 N 0.52 0.55 -0.28 1.25 5.08 -1.99 -0.51 114.58 119.21 1bqa h GLU 203 Ca 0.32 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1bqa h GLU 203 Cb 0.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1bqa h GLU 203 CO -0.27 0.60 -0.24 1.96 -1.00 0.00 0.00 179.01 180.06 1bqa h GLN 204 N 0.52 0.66 -0.33 2.33 4.20 -1.50 -1.78 115.11 119.21 1bqa h GLN 204 Ca 0.11 -0.33 0.05 0.00 0.06 0.00 0.00 58.65 58.54 1bqa h GLN 204 Cb 0.38 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1bqa h GLN 204 CO 0.02 0.94 0.04 -1.49 -0.67 0.00 0.00 178.83 177.67 1bqa h TRP 205 N 0.39 0.07 -0.75 2.96 -0.00 -0.02 -0.87 115.95 117.73 1bqa h TRP 205 Ca 0.05 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1bqa h TRP 205 Cb 0.80 0.02 -0.04 0.00 -0.00 0.00 0.00 29.16 29.94 1bqa h TRP 205 CO 0.07 -0.01 0.50 1.96 -0.00 0.00 0.00 178.44 180.96 1bqa h GLN 206 N 0.15 0.95 -0.40 0.49 4.20 -0.98 -0.10 115.11 119.42 1bqa h GLN 206 Ca 0.16 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1bqa h GLN 206 Cb 0.19 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1bqa h GLN 206 CO -0.22 0.63 0.04 1.15 -0.67 0.00 0.00 178.83 179.75 1bqa h THR 207 N 0.98 1.25 -0.68 -0.54 2.02 -0.54 -2.21 112.91 113.19 1bqa h THR 207 Ca 0.29 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1bqa h THR 207 Cb -0.05 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1bqa h THR 207 CO -0.07 0.32 0.26 -0.07 0.37 0.00 0.00 175.52 176.33 1bqa h LEU 208 N 0.53 0.93 -0.40 2.58 3.38 -0.43 -1.71 115.31 120.18 1bqa h LEU 208 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1bqa h LEU 208 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1bqa h LEU 208 CO 0.01 0.84 0.22 0.00 0.09 0.00 0.00 178.44 179.60 1bqa h ALA 209 N 1.30 0.52 -0.15 1.53 0.00 -0.80 0.20 119.26 121.86 1bqa h ALA 209 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bqa h ALA 209 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bqa h ALA 209 CO -0.02 0.05 0.05 1.96 0.00 0.00 0.00 179.25 181.29 1bqa h GLN 210 N 0.52 0.23 -0.33 0.00 4.20 -1.15 -2.32 115.11 116.27 1bqa h GLN 210 Ca 0.14 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1bqa h GLN 210 Cb 0.06 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1bqa h GLN 210 CO -0.02 0.35 0.20 1.25 -0.67 0.00 0.00 178.83 179.93 1bqa h LEU 211 N 0.07 0.32 -0.42 1.46 5.85 -1.17 -1.98 115.31 119.44 1bqa h LEU 211 Ca 0.05 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1bqa h LEU 211 Cb 0.21 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 1bqa h LEU 211 CO -0.00 0.23 -0.07 -1.28 -0.34 0.00 0.00 178.44 176.98 1bqa h SER 212 N 0.40 -0.33 -0.73 1.25 0.87 -0.43 -0.07 113.55 114.52 1bqa h SER 212 Ca 0.13 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1bqa h SER 212 Cb -0.01 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1bqa h SER 212 CO -0.05 -0.11 0.37 0.58 -0.53 0.00 0.00 176.83 177.08 1bqa h VAL 213 N 0.03 1.23 -0.55 2.23 2.07 -1.19 -1.87 116.25 118.20 1bqa h VAL 213 Ca 0.20 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1bqa h VAL 213 Cb 0.31 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1bqa h VAL 213 CO -0.41 0.27 0.17 -0.08 0.02 0.00 0.00 177.57 177.54 1bqa h GLU 214 N 1.01 0.82 0.00 1.57 4.81 -0.53 -3.09 114.58 119.17 1bqa h GLU 214 Ca 0.25 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1bqa h GLU 214 Cb 0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1bqa h GLU 214 CO -0.04 0.71 -0.57 1.63 -0.73 0.00 0.00 179.01 180.02 1bqa n LYS 215 N -4.30 0.15 -2.64 1.92 4.01 -0.13 -4.98 118.16 112.19 1bqa n LYS 215 Ca 0.04 0.04 -0.03 0.00 -0.51 0.00 0.00 58.31 57.85 1bqa n LYS 215 Cb 0.20 -1.59 0.01 0.00 -0.51 0.00 0.00 35.03 33.14 1bqa n LYS 215 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bqa n GLY 216 N 1.42 0.73 3.90 0.72 0.00 -0.73 -3.49 105.19 107.73 1bqa n GLY 216 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1bqa n GLY 216 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bqa s TRP 217 N -3.05 3.47 -0.37 1.61 0.51 -1.06 0.09 118.94 120.14 1bqa s TRP 217 Ca 0.08 0.75 -0.08 0.00 -2.12 0.00 0.00 56.10 54.73 1bqa s TRP 217 Cb -0.04 -2.19 0.05 0.00 -0.81 0.00 0.00 33.47 30.49 1bqa s TRP 217 CO 0.10 0.12 0.17 -1.17 -0.51 0.00 0.00 176.95 175.67 1bqa s LEU 218 N -3.55 4.69 0.19 2.99 2.96 -0.35 -4.84 118.68 120.77 1bqa s LEU 218 Ca 0.46 -1.28 -0.30 0.00 -0.22 0.00 0.00 54.13 52.79 1bqa s LEU 218 Cb -0.11 -1.93 -0.08 0.00 0.50 0.00 0.00 46.19 44.58 1bqa s LEU 218 CO 0.29 -0.41 1.12 -2.16 -1.32 0.00 0.00 176.35 173.87 1bqa s PRO 219 N 1.42 4.58 -0.18 0.98 0.05 -1.26 -1.58 135.00 139.01 1bqa s PRO 219 Ca 0.01 1.75 -0.00 0.00 0.05 0.00 0.00 61.00 62.81 1bqa s PRO 219 Cb -0.21 -3.26 0.04 0.00 0.05 0.00 0.00 34.50 31.12 1bqa s PRO 219 CO 0.03 0.05 -0.07 -1.17 0.05 0.00 0.00 177.00 175.89 1bqa s LEU 220 N -0.43 1.85 -0.14 -3.56 0.20 -0.30 -2.29 118.68 114.01 1bqa s LEU 220 Ca 0.50 -0.75 -0.13 0.00 0.69 0.00 0.00 54.13 54.43 1bqa s LEU 220 Cb -0.30 -1.02 -0.05 0.00 -0.43 0.00 0.00 46.19 44.39 1bqa s LEU 220 CO 0.36 -0.17 0.29 -0.36 -0.29 0.00 0.00 176.35 176.17 1bqa s PHE 221 N 1.55 3.50 -0.39 5.38 0.40 0.36 -1.38 117.98 127.40 1bqa s PHE 221 Ca -0.00 0.62 -0.09 0.00 -0.60 0.00 0.00 56.93 56.86 1bqa s PHE 221 Cb -0.16 -2.30 0.06 0.00 0.51 0.00 0.00 43.02 41.14 1bqa s PHE 221 CO -0.08 0.32 0.22 0.34 0.70 0.00 0.00 175.22 176.72 1bqa s ASP 222 N 0.18 5.60 -0.62 1.36 -1.08 0.35 -0.32 116.67 122.15 1bqa s ASP 222 Ca 0.17 -1.31 0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1bqa s ASP 222 Cb -0.13 -1.97 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 1bqa s ASP 222 CO 0.05 -0.46 0.41 0.12 0.52 0.00 0.00 175.17 175.81 1bqa s PHE 223 N 1.45 3.39 -0.75 -5.34 5.36 -0.14 -1.32 117.98 120.62 1bqa s PHE 223 Ca 0.02 -3.00 0.14 0.00 -0.96 0.00 0.00 56.93 53.12 1bqa s PHE 223 Cb -0.21 -3.00 -0.13 0.00 -0.34 0.00 0.00 43.02 39.34 1bqa s PHE 223 CO 0.03 -0.76 0.61 0.00 -1.46 0.00 0.00 175.22 173.65 1bqa n ALA 224 N 3.03 3.68 -1.77 11.12 0.00 -1.26 -1.90 120.51 133.40 1bqa n ALA 224 Ca 0.10 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.18 1bqa n ALA 224 Cb 0.35 -0.50 0.17 0.00 0.00 0.00 0.00 19.45 19.48 1bqa n ALA 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bqa n TYR 225 N -1.14 0.03 -1.68 0.00 4.01 -1.26 -4.63 117.16 112.49 1bqa n TYR 225 Ca 0.03 -1.32 -0.47 0.00 -0.16 0.00 0.00 57.90 55.98 1bqa n TYR 225 Cb 0.23 -0.23 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1bqa n TYR 225 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bqa n GLN 226 N -0.82 2.23 0.00 -0.72 7.27 -1.26 -1.02 117.38 123.07 1bqa n GLN 226 Ca 0.17 0.81 0.00 0.00 0.07 0.00 0.00 57.00 58.05 1bqa n GLN 226 Cb 0.78 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1bqa n GLN 226 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bqa n GLY 227 N 4.04 0.28 0.06 1.69 0.00 -1.25 -4.79 105.19 105.21 1bqa n GLY 227 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1bqa n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bqa n PHE 228 N -1.86 0.48 0.00 1.61 3.72 -0.19 -4.47 117.46 116.74 1bqa n PHE 228 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1bqa n PHE 228 Cb 0.00 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 1bqa n PHE 228 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bqa n ALA 229 N -2.05 0.00 0.00 4.37 0.00 -1.26 -4.19 120.51 117.38 1bqa n ALA 229 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1bqa n ALA 229 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1bqa n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bqa n ARG 230 N -2.16 0.00 0.00 0.00 1.74 -1.26 -4.91 116.66 110.07 1bqa n ARG 230 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1bqa n ARG 230 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1bqa n ARG 230 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bqa n GLY 231 N 3.33 0.29 0.34 -0.13 0.00 -1.26 -4.95 105.19 102.80 1bqa n GLY 231 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1bqa n GLY 231 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bqa h LEU 233 N 0.00 -0.87 -0.12 0.99 4.07 -1.90 -0.90 115.31 116.57 1bqa h LEU 233 Ca 0.00 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 1bqa h LEU 233 Cb 0.00 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1bqa h LEU 233 CO 0.00 -0.42 -0.36 -0.33 -1.08 0.00 0.00 178.44 176.25 1bqa h GLU 234 N -0.60 0.46 -0.25 1.13 4.39 -1.96 -3.28 114.58 114.47 1bqa h GLU 234 Ca 0.01 -0.33 0.05 0.00 0.34 0.00 0.00 59.36 59.43 1bqa h GLU 234 Cb 0.58 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 1bqa h GLU 234 CO -0.12 0.95 -0.05 0.93 -1.16 0.00 0.00 179.01 179.55 1bqa h GLU 235 N 0.05 0.01 0.00 2.33 3.07 -1.92 -1.53 114.58 116.58 1bqa h GLU 235 Ca -0.01 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1bqa h GLU 235 Cb 0.97 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1bqa h GLU 235 CO 0.08 0.01 0.02 -0.44 -1.40 0.00 0.00 179.01 177.28 1bqa h ASP 236 N 0.01 0.00 -0.02 1.42 5.19 -1.24 -1.37 116.42 120.40 1bqa h ASP 236 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1bqa h ASP 236 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1bqa h ASP 236 CO -0.25 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 175.86 1bqa n ALA 237 N -1.85 2.52 -0.18 3.45 0.00 -0.58 -4.51 120.51 119.37 1bqa n ALA 237 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1bqa n ALA 237 Cb 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 19.45 18.67 1bqa n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bqa h GLU 238 N 3.83 0.22 0.53 0.00 5.08 -1.24 0.11 114.58 123.11 1bqa h GLU 238 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1bqa h GLU 238 Cb 0.82 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1bqa h GLU 238 CO 0.00 0.15 -0.31 0.78 -1.00 0.00 0.00 179.01 178.63 1bqa h GLY 239 N 0.23 -0.84 0.46 -3.84 0.00 -1.82 0.22 103.07 97.49 1bqa h GLY 239 Ca 0.28 0.34 0.07 0.00 0.00 0.00 0.00 47.33 48.03 1bqa h GLY 239 CO -0.38 -0.31 0.12 -2.00 0.00 0.00 0.00 176.54 173.98 1bqa h LEU 240 N -0.79 0.07 -1.44 3.11 5.85 -1.80 -0.05 115.31 120.27 1bqa h LEU 240 Ca -0.06 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1bqa h LEU 240 Cb 0.64 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1bqa h LEU 240 CO 0.07 0.07 0.06 0.03 -0.34 0.00 0.00 178.44 178.33 1bqa h ARG 241 N 0.27 0.43 -0.75 1.25 -0.00 -0.54 0.19 114.38 115.24 1bqa h ARG 241 Ca 0.23 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.98 59.59 1bqa h ARG 241 Cb 0.28 -0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.14 1bqa h ARG 241 CO -0.28 0.41 0.24 0.00 0.00 0.00 0.00 179.97 180.34 1bqa h ALA 242 N 1.65 1.01 -0.15 0.04 0.00 0.13 -2.36 119.26 119.58 1bqa h ALA 242 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1bqa h ALA 242 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bqa h ALA 242 CO -0.00 0.67 -0.29 0.74 0.00 0.00 0.00 179.25 180.37 1bqa h PHE 243 N 1.11 0.57 -0.49 0.00 -1.00 -0.35 -3.23 116.94 113.55 1bqa h PHE 243 Ca 0.24 -0.21 0.08 0.00 2.81 0.00 0.00 57.97 60.89 1bqa h PHE 243 Cb 0.30 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 1bqa h PHE 243 CO 0.03 0.91 0.33 0.00 -1.61 0.00 0.00 178.31 177.97 1bqa h ALA 244 N 0.56 2.03 0.00 2.45 0.00 -0.85 -0.34 119.26 123.10 1bqa h ALA 244 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bqa h ALA 244 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bqa h ALA 244 CO 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1bqa n ALA 245 N -2.53 1.90 0.02 0.00 0.00 -0.90 -3.67 120.51 115.33 1bqa n ALA 245 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1bqa n ALA 245 Cb 0.32 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1bqa n ALA 245 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bqa n MET 246 N -2.07 0.66 -3.98 0.00 2.81 -0.27 -5.05 117.12 109.21 1bqa n MET 246 Ca 0.04 -0.05 -0.25 0.00 -1.81 0.00 0.00 57.70 55.63 1bqa n MET 246 Cb 0.29 -1.10 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 1bqa n MET 246 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1bqa s HIS 247 N -2.30 3.41 -0.11 2.03 3.76 -0.40 -4.98 115.29 116.69 1bqa s HIS 247 Ca -0.02 0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 1bqa s HIS 247 Cb 0.04 -1.62 -0.25 0.00 1.11 0.00 0.00 32.58 31.86 1bqa s HIS 247 CO 0.23 0.51 0.38 1.63 -0.85 0.00 0.00 174.74 176.64 1bqa n LYS 248 N -0.66 0.73 -4.85 1.40 4.76 -1.26 -4.90 118.16 113.37 1bqa n LYS 248 Ca -0.08 0.26 -0.28 0.00 -2.87 0.00 0.00 58.31 55.34 1bqa n LYS 248 Cb 0.55 -1.71 -0.15 0.00 -1.84 0.00 0.00 35.03 31.88 1bqa n LYS 248 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1bqa s GLU 249 N -2.56 1.67 0.05 1.97 2.02 -1.26 -2.07 118.70 118.53 1bqa s GLU 249 Ca -0.19 -1.01 -0.27 0.00 0.02 0.00 0.00 54.97 53.52 1bqa s GLU 249 Cb 0.07 -1.80 0.09 0.00 0.10 0.00 0.00 34.13 32.59 1bqa s GLU 249 CO 0.77 0.47 0.75 -1.17 0.02 0.00 0.00 175.26 176.10 1bqa s LEU 250 N -1.12 -0.48 -0.02 1.80 0.20 -0.74 -4.64 118.68 113.68 1bqa s LEU 250 Ca 0.10 0.09 0.01 0.00 0.69 0.00 0.00 54.13 55.02 1bqa s LEU 250 Cb -0.09 2.30 0.01 0.00 -0.43 0.00 0.00 46.19 47.98 1bqa s LEU 250 CO 0.02 -0.75 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.67 1bqa s ILE 251 N -3.10 0.28 -0.08 6.68 1.01 -0.97 -0.62 121.20 124.40 1bqa s ILE 251 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1bqa s ILE 251 Cb -0.01 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1bqa s ILE 251 CO -0.08 0.13 -0.13 -0.69 0.00 0.00 0.00 174.94 174.17 1bqa s VAL 252 N 0.55 1.24 -0.37 2.92 1.01 0.25 -0.49 120.40 125.52 1bqa s VAL 252 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1bqa s VAL 252 Cb -0.09 -1.13 0.09 0.00 0.00 0.00 0.00 36.38 35.25 1bqa s VAL 252 CO -0.01 0.38 0.13 0.00 0.00 0.00 0.00 175.10 175.60 1bqa s ALA 253 N 0.77 3.03 0.22 5.51 0.00 0.57 0.30 121.76 132.16 1bqa s ALA 253 Ca -0.12 -2.29 0.07 0.00 0.00 0.00 0.00 51.96 49.62 1bqa s ALA 253 Cb -0.16 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1bqa s ALA 253 CO 0.02 -1.62 0.12 -1.54 0.00 0.00 0.00 175.76 172.74 1bqa s SER 254 N 1.56 5.27 0.03 0.00 1.04 -0.12 -0.97 113.70 120.52 1bqa s SER 254 Ca 0.04 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1bqa s SER 254 Cb -0.21 -1.28 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 1bqa s SER 254 CO -0.03 0.02 -0.08 -0.55 0.98 0.00 0.00 173.24 173.57 1bqa s SER 255 N -3.49 0.90 0.00 7.02 0.15 -0.80 -0.98 113.70 116.51 1bqa s SER 255 Ca 0.31 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.55 1bqa s SER 255 Cb -0.08 0.00 0.10 0.00 -1.71 0.00 0.00 66.02 64.32 1bqa s SER 255 CO 0.23 -0.13 1.01 -1.22 1.20 0.00 0.00 173.24 174.33 1bqa n TYR 256 N 1.79 0.14 0.00 3.44 4.01 -0.40 -4.71 117.16 121.43 1bqa n TYR 256 Ca -0.20 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1bqa n TYR 256 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1bqa n TYR 256 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1bqa n SER 257 N -0.06 0.00 0.00 7.72 7.64 -1.25 -2.27 113.62 125.40 1bqa n SER 257 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1bqa n SER 257 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1bqa n SER 257 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1bqa n ASN 259 N -0.83 0.00 -0.01 6.43 0.23 -1.26 -0.89 115.26 118.93 1bqa n ASN 259 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1bqa n ASN 259 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1bqa n ASN 259 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1bqa n PHE 260 N 0.00 0.00 -2.65 -2.53 3.01 -0.96 -4.83 117.46 109.49 1bqa n PHE 260 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1bqa n PHE 260 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1bqa n PHE 260 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bqa n GLY 261 N 0.20 -0.51 2.00 1.37 0.00 -0.99 -4.69 105.19 102.58 1bqa n GLY 261 Ca 0.00 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1bqa n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bqa n LEU 262 N -3.37 6.18 -0.09 0.99 4.77 -0.07 -4.82 117.00 120.59 1bqa n LEU 262 Ca -0.18 -3.65 -0.02 0.00 -0.03 0.00 0.00 56.01 52.13 1bqa n LEU 262 Cb 0.65 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1bqa n LEU 262 CO 0.35 1.10 0.30 -1.22 -1.33 0.00 0.00 177.39 176.58 1bqa n TYR 263 N -1.13 -0.09 0.89 -1.77 4.01 -1.01 -1.29 117.16 116.76 1bqa n TYR 263 Ca 0.54 0.26 0.09 0.00 -0.16 0.00 0.00 57.90 58.63 1bqa n TYR 263 Cb 1.54 -0.39 0.48 0.00 -0.31 0.00 0.00 39.34 40.66 1bqa n TYR 263 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1bqa n ASN 264 N -3.34 0.00 -0.18 7.72 0.23 -1.26 -2.97 115.26 115.46 1bqa n ASN 264 Ca 0.00 0.06 0.13 0.00 -0.53 0.00 0.00 54.58 54.24 1bqa n ASN 264 Cb 0.05 -0.31 0.39 0.00 -2.08 0.00 0.00 39.78 37.83 1bqa n ASN 264 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1bqa n GLU 265 N -1.31 0.65 -3.17 -3.83 -0.58 -0.41 -4.99 120.64 106.99 1bqa n GLU 265 Ca 0.09 -0.36 -0.05 0.00 -0.42 0.00 0.00 57.16 56.42 1bqa n GLU 265 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1bqa n GLU 265 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bqa n ARG 266 N -0.86 -1.45 -3.97 3.49 5.12 -1.16 -4.50 116.66 113.34 1bqa n ARG 266 Ca 0.11 1.42 -0.34 0.00 -1.93 0.00 0.00 57.85 57.11 1bqa n ARG 266 Cb 0.34 -5.14 -0.14 0.00 -1.16 0.00 0.00 32.46 26.36 1bqa n ARG 266 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bqa s VAL 267 N -2.95 2.79 0.39 1.55 1.01 -1.26 -2.41 120.40 119.53 1bqa s VAL 267 Ca 0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1bqa s VAL 267 Cb -0.01 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1bqa s VAL 267 CO 0.78 0.15 0.74 -0.83 0.00 0.00 0.00 175.10 175.94 1bqa s GLY 268 N 1.29 0.59 0.01 4.51 0.00 -0.72 -1.28 107.32 111.72 1bqa s GLY 268 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.67 1bqa s GLY 268 CO -0.04 -0.44 0.27 0.00 0.00 0.00 0.00 173.10 172.89 1bqa s ALA 269 N -2.33 -0.65 -0.22 3.20 0.00 -0.15 -0.73 121.76 120.88 1bqa s ALA 269 Ca 0.18 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1bqa s ALA 269 Cb -0.04 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1bqa s ALA 269 CO 0.13 -0.30 -0.14 0.00 0.00 0.00 0.00 175.76 175.45 1bqa s THR 271 N 1.21 4.22 -0.19 0.00 2.01 0.15 -1.33 115.64 121.71 1bqa s THR 271 Ca -0.03 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1bqa s THR 271 Cb -0.17 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1bqa s THR 271 CO -0.08 0.44 0.06 -0.22 -0.69 0.00 0.00 174.62 174.13 1bqa s LEU 272 N 0.73 3.75 -0.09 4.42 0.20 -0.00 -0.58 118.68 127.11 1bqa s LEU 272 Ca 0.01 0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.90 1bqa s LEU 272 Cb -0.14 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 1bqa s LEU 272 CO 0.02 0.14 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.31 1bqa s VAL 273 N 0.55 1.95 0.39 1.68 1.01 0.21 -1.53 120.40 124.66 1bqa s VAL 273 Ca 0.03 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1bqa s VAL 273 Cb -0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1bqa s VAL 273 CO 0.01 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.73 1bqa s ALA 274 N 0.31 2.86 0.33 5.51 0.00 -0.69 -1.79 121.76 128.29 1bqa s ALA 274 Ca -0.16 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.34 1bqa s ALA 274 Cb -0.17 0.60 0.60 0.00 0.00 0.00 0.00 23.12 24.15 1bqa s ALA 274 CO 0.08 -0.28 1.88 0.00 0.00 0.00 0.00 175.76 177.44 1bqa h ALA 275 N 1.86 1.37 -2.75 0.00 0.00 -1.73 -3.44 119.26 114.57 1bqa h ALA 275 Ca -0.39 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1bqa h ALA 275 Cb 1.27 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1bqa h ALA 275 CO 0.65 0.44 -0.19 0.16 0.00 0.00 0.00 179.25 180.31 1bqa s ASP 276 N -6.73 -0.06 0.14 0.00 1.47 -1.26 -4.99 116.67 105.25 1bqa s ASP 276 Ca -0.08 -0.84 -0.23 0.00 1.18 0.00 0.00 52.55 52.58 1bqa s ASP 276 Cb 0.16 0.52 0.01 0.00 -0.34 0.00 0.00 42.92 43.26 1bqa s ASP 276 CO 0.77 -1.01 1.63 -1.28 0.68 0.00 0.00 175.17 175.96 1bqa h SER 277 N 2.37 -0.75 -0.65 2.11 0.87 -1.75 -0.55 113.55 115.21 1bqa h SER 277 Ca -0.29 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1bqa h SER 277 Cb 1.24 0.34 -0.08 0.00 -0.44 0.00 0.00 62.40 63.47 1bqa h SER 277 CO 0.42 -0.28 0.25 -0.08 -0.53 0.00 0.00 176.83 176.60 1bqa h GLU 278 N -0.28 0.41 -0.01 2.24 4.22 -1.95 0.26 114.58 119.46 1bqa h GLU 278 Ca 0.12 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 1bqa h GLU 278 Cb 0.45 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1bqa h GLU 278 CO -0.34 0.27 -0.00 1.15 -2.18 0.00 0.00 179.01 177.91 1bqa h THR 279 N 0.42 1.29 -0.83 0.32 2.02 -1.86 -2.05 112.91 112.23 1bqa h THR 279 Ca 0.34 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1bqa h THR 279 Cb 0.45 1.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1bqa h THR 279 CO -0.34 0.23 0.51 1.62 0.37 0.00 0.00 175.52 177.91 1bqa h VAL 280 N -0.34 1.23 -0.21 3.16 3.04 -0.81 0.78 116.25 123.10 1bqa h VAL 280 Ca 0.00 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 1bqa h VAL 280 Cb 0.37 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1bqa h VAL 280 CO 0.00 0.23 0.06 0.44 -1.01 0.00 0.00 177.57 177.30 1bqa h ASP 281 N 1.14 0.31 -0.53 3.17 3.32 -0.92 0.54 116.42 123.45 1bqa h ASP 281 Ca 0.30 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1bqa h ASP 281 Cb -0.07 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1bqa h ASP 281 CO -0.06 0.44 0.18 -0.09 -1.72 0.00 0.00 179.24 177.99 1bqa h ARG 282 N 0.17 0.86 -0.09 3.56 2.43 -0.95 -2.24 114.38 118.12 1bqa h ARG 282 Ca 0.07 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 58.84 1bqa h ARG 282 Cb 0.24 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1bqa h ARG 282 CO -0.00 0.74 -0.89 0.00 -1.51 0.00 0.00 179.97 178.31 1bqa h ALA 283 N 1.36 0.23 -0.59 2.80 0.00 -0.55 -3.22 119.26 119.29 1bqa h ALA 283 Ca 0.19 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1bqa h ALA 283 Cb 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bqa h ALA 283 CO -0.01 0.69 0.39 0.35 0.00 0.00 0.00 179.25 180.67 1bqa h PHE 284 N 0.49 0.67 -0.80 0.00 3.57 0.33 -1.96 116.94 119.25 1bqa h PHE 284 Ca -0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1bqa h PHE 284 Cb 1.53 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1bqa h PHE 284 CO 0.09 0.40 0.52 0.66 -2.23 0.00 0.00 178.31 177.75 1bqa h SER 285 N 0.70 0.81 1.21 0.41 4.64 -1.41 0.67 113.55 120.58 1bqa h SER 285 Ca 0.24 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1bqa h SER 285 Cb 0.07 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1bqa h SER 285 CO -0.06 0.54 -0.43 1.56 -0.87 0.00 0.00 176.83 177.56 1bqa h GLN 286 N 0.93 0.00 -0.26 4.77 1.08 -1.46 -2.11 115.11 118.05 1bqa h GLN 286 Ca 0.33 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.36 1bqa h GLN 286 Cb 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1bqa h GLN 286 CO -0.11 0.43 -0.51 1.98 -0.95 0.00 0.00 178.83 179.68 1bqa h MET 287 N 0.00 0.74 -0.66 1.46 4.05 -0.70 -2.17 114.93 117.65 1bqa h MET 287 Ca -0.00 -0.44 -0.08 0.00 -0.28 0.00 0.00 59.70 58.89 1bqa h MET 287 Cb 1.15 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 1bqa h MET 287 CO 0.06 1.07 0.11 0.87 0.23 0.00 0.00 176.91 179.25 1bqa h LYS 288 N 0.58 1.09 -0.99 0.39 1.57 -0.80 -1.91 116.57 116.51 1bqa h LYS 288 Ca 0.02 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1bqa h LYS 288 Cb 1.08 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 1bqa h LYS 288 CO 0.11 1.00 0.64 0.00 -0.57 0.00 0.00 179.45 180.63 1bqa h ALA 289 N 1.05 1.33 -0.38 3.86 0.00 -1.18 0.40 119.26 124.33 1bqa h ALA 289 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1bqa h ALA 289 Cb 0.44 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bqa h ALA 289 CO 0.01 0.50 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1bqa h ALA 290 N 1.42 1.24 -0.09 0.00 0.00 -0.73 -2.52 119.26 118.57 1bqa h ALA 290 Ca 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bqa h ALA 290 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bqa h ALA 290 CO -0.14 0.50 -0.13 0.82 0.00 0.00 0.00 179.25 180.31 1bqa h ILE 291 N 0.58 1.38 -0.80 0.00 2.04 -0.49 -2.96 117.51 117.26 1bqa h ILE 291 Ca 0.12 -1.34 0.14 0.00 1.00 0.00 0.00 64.86 64.77 1bqa h ILE 291 Cb 0.41 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 1bqa h ILE 291 CO 0.02 0.38 0.52 -0.09 0.00 0.00 0.00 178.15 178.98 1bqa h ARG 292 N -0.18 0.52 -0.00 2.37 2.43 -0.82 0.22 114.38 118.91 1bqa h ARG 292 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bqa h ARG 292 Cb 0.67 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1bqa h ARG 292 CO 0.03 0.34 -0.04 0.00 -1.51 0.00 0.00 179.97 178.79 1bqa n ALA 293 N -2.49 2.64 -0.95 2.80 0.00 -0.96 -3.69 120.51 117.86 1bqa n ALA 293 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1bqa n ALA 293 Cb 0.48 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1bqa n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bqa n ASN 294 N -1.03 0.00 -0.13 0.00 2.85 0.70 -4.92 115.26 112.74 1bqa n ASN 294 Ca 0.17 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.65 1bqa n ASN 294 Cb 0.23 -0.02 0.03 0.00 1.24 0.00 0.00 39.78 41.26 1bqa n ASN 294 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bqa n TYR 295 N -1.39 0.06 0.00 1.20 0.18 -0.93 -5.04 117.16 111.24 1bqa n TYR 295 Ca 0.00 -0.28 0.00 0.00 1.88 0.00 0.00 57.90 59.50 1bqa n TYR 295 Cb 0.00 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 1bqa n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1bqa n SER 296 N -0.08 0.00 -3.45 9.48 2.88 -0.83 -4.76 113.62 116.87 1bqa n SER 296 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1bqa n SER 296 Cb 0.19 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1bqa n SER 296 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1bqa s ASN 297 N 0.00 -0.60 0.55 -3.46 2.20 -1.26 -4.28 114.94 108.08 1bqa s ASN 297 Ca 0.00 0.24 -0.09 0.00 -0.94 0.00 0.00 52.86 52.07 1bqa s ASN 297 Cb 0.00 0.58 -0.04 0.00 -2.00 0.00 0.00 41.25 39.79 1bqa s ASN 297 CO 0.00 -0.85 0.91 -2.16 -2.94 0.00 0.00 177.10 172.07 1bqa s PRO 298 N -2.89 3.61 0.05 3.55 0.04 -1.26 -5.04 135.00 133.06 1bqa s PRO 298 Ca -0.03 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.23 1bqa s PRO 298 Cb -0.01 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1bqa s PRO 298 CO -0.05 -0.38 1.34 -1.25 0.04 0.00 0.00 177.00 176.70 1bqa s PRO 299 N -4.87 4.33 -0.05 0.56 0.04 -1.26 -4.77 135.00 128.99 1bqa s PRO 299 Ca 0.52 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.24 1bqa s PRO 299 Cb -0.11 -3.41 -0.22 0.00 0.04 0.00 0.00 34.50 30.81 1bqa s PRO 299 CO 0.48 -0.44 1.09 0.00 0.04 0.00 0.00 177.00 178.16 1bqa h ALA 300 N 7.21 0.03 -0.06 8.56 0.00 -1.96 -3.38 119.26 129.67 1bqa h ALA 300 Ca -0.40 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.14 1bqa h ALA 300 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1bqa h ALA 300 CO 0.87 -0.06 -0.03 1.58 0.00 0.00 0.00 179.25 181.60 1bqa n HIS 301 N -4.66 -0.03 -0.14 0.00 -0.00 -1.26 0.19 115.22 109.32 1bqa n HIS 301 Ca -0.09 0.07 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 1bqa n HIS 301 Cb 0.39 -0.43 0.03 0.00 -0.00 0.00 0.00 29.99 29.98 1bqa n HIS 301 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1bqa h GLY 302 N 0.00 0.34 1.93 1.57 0.00 -1.79 -0.98 103.07 104.14 1bqa h GLY 302 Ca 0.01 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1bqa h GLY 302 CO -0.05 -0.17 -0.40 0.00 0.00 0.00 0.00 176.54 175.91 1bqa h ALA 303 N 1.45 1.26 -0.40 3.60 0.00 -1.59 -2.25 119.26 121.33 1bqa h ALA 303 Ca 0.22 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1bqa h ALA 303 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bqa h ALA 303 CO -0.46 0.54 -0.02 0.77 0.00 0.00 0.00 179.25 180.08 1bqa h SER 304 N 0.07 0.71 0.06 0.00 0.02 0.69 -1.42 113.55 113.67 1bqa h SER 304 Ca 0.00 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1bqa h SER 304 Cb 0.75 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1bqa h SER 304 CO 0.06 0.85 -0.10 0.58 -1.14 0.00 0.00 176.83 177.08 1bqa h VAL 305 N 0.54 0.77 -0.14 2.27 2.07 -0.96 -0.72 116.25 120.08 1bqa h VAL 305 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1bqa h VAL 305 Cb 0.50 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1bqa h VAL 305 CO 0.02 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 178.08 1bqa h VAL 306 N -0.20 0.68 -0.72 2.57 2.07 -1.26 -1.68 116.25 117.71 1bqa h VAL 306 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1bqa h VAL 306 Cb 0.21 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1bqa h VAL 306 CO -0.05 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.01 1bqa h ALA 307 N 0.98 1.52 -0.12 1.67 0.00 -1.08 -0.63 119.26 121.60 1bqa h ALA 307 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bqa h ALA 307 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bqa h ALA 307 CO -0.21 0.44 0.03 1.15 0.00 0.00 0.00 179.25 180.65 1bqa h THR 308 N 0.95 1.20 0.43 0.00 2.02 -0.60 -2.42 112.91 114.48 1bqa h THR 308 Ca 0.27 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1bqa h THR 308 Cb -0.06 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1bqa h THR 308 CO -0.07 0.18 -0.20 0.40 0.37 0.00 0.00 175.52 176.20 1bqa h ILE 309 N -0.01 0.56 -0.04 3.11 2.04 -0.99 -2.71 117.51 119.46 1bqa h ILE 309 Ca 0.04 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1bqa h ILE 309 Cb 0.26 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1bqa h ILE 309 CO 0.00 0.06 0.08 -0.07 0.00 0.00 0.00 178.15 178.22 1bqa h LEU 310 N -0.77 0.00 -0.80 1.44 3.38 -1.16 -1.59 115.31 115.80 1bqa h LEU 310 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1bqa h LEU 310 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1bqa h LEU 310 CO 0.10 0.00 -0.55 -1.54 0.09 0.00 0.00 178.44 176.54 1bqa n SER 311 N -3.42 1.79 -4.32 -0.43 3.41 -0.91 -4.86 113.62 104.87 1bqa n SER 311 Ca -0.02 -1.38 -0.36 0.00 -0.26 0.00 0.00 58.87 56.85 1bqa n SER 311 Cb 0.17 0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 64.52 1bqa n SER 311 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bqa s ASN 312 N -2.57 4.57 0.20 4.04 3.84 -0.61 -5.00 114.94 119.41 1bqa s ASN 312 Ca 0.17 -0.47 -0.13 0.00 0.21 0.00 0.00 52.86 52.64 1bqa s ASN 312 Cb 0.18 -1.78 0.23 0.00 -0.55 0.00 0.00 41.25 39.32 1bqa s ASN 312 CO 0.62 -0.06 1.66 0.44 -2.79 0.00 0.00 177.10 176.97 1bqa h ASP 313 N 8.14 -0.33 0.40 -4.21 3.32 -1.89 0.36 116.42 122.22 1bqa h ASP 313 Ca -0.38 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 1bqa h ASP 313 Cb 1.15 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1bqa h ASP 313 CO 0.60 -0.12 -0.19 0.00 -1.72 0.00 0.00 179.24 177.80 1bqa h ALA 314 N 1.52 -0.53 -0.87 3.45 0.00 -1.94 -1.97 119.26 118.90 1bqa h ALA 314 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bqa h ALA 314 Cb 0.44 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1bqa h ALA 314 CO -0.50 -0.74 0.48 -0.07 0.00 0.00 0.00 179.25 178.42 1bqa h LEU 315 N -0.66 1.09 -1.15 0.00 3.38 -1.76 -2.47 115.31 113.74 1bqa h LEU 315 Ca -0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1bqa h LEU 315 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1bqa h LEU 315 CO 0.09 0.87 0.18 -0.09 0.09 0.00 0.00 178.44 179.58 1bqa h ARG 316 N 1.22 0.79 -0.36 1.13 2.43 -0.22 -0.99 114.38 118.38 1bqa h ARG 316 Ca 0.31 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1bqa h ARG 316 Cb 0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1bqa h ARG 316 CO -0.05 0.67 0.01 0.00 -1.51 0.00 0.00 179.97 179.09 1bqa h ALA 317 N 1.43 0.48 -0.14 2.80 0.00 -0.92 -1.14 119.26 121.77 1bqa h ALA 317 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bqa h ALA 317 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bqa h ALA 317 CO -0.01 0.23 0.10 0.82 0.00 0.00 0.00 179.25 180.39 1bqa h ILE 318 N 0.45 1.04 -0.66 0.00 2.04 -1.12 -2.50 117.51 116.76 1bqa h ILE 318 Ca 0.10 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1bqa h ILE 318 Cb 0.44 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1bqa h ILE 318 CO 0.02 0.04 0.37 -0.25 0.00 0.00 0.00 178.15 178.32 1bqa h TRP 319 N 0.19 0.89 -0.64 1.37 7.01 -1.05 -1.28 115.95 122.45 1bqa h TRP 319 Ca 0.05 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1bqa h TRP 319 Cb -0.02 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.72 1bqa h TRP 319 CO -0.07 0.63 0.43 0.93 -2.79 0.00 0.00 178.44 177.57 1bqa h GLU 320 N 0.90 0.80 -0.32 2.65 5.08 -1.08 0.81 114.58 123.42 1bqa h GLU 320 Ca 0.23 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1bqa h GLU 320 Cb 0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1bqa h GLU 320 CO -0.04 0.53 -0.33 0.37 -1.00 0.00 0.00 179.01 178.54 1bqa h GLN 321 N 0.83 0.80 -0.79 2.33 5.75 -0.95 -1.21 115.11 121.86 1bqa h GLN 321 Ca 0.24 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1bqa h GLN 321 Cb -0.03 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 1bqa h GLN 321 CO -0.06 1.06 0.38 0.93 -2.65 0.00 0.00 178.83 178.49 1bqa h GLU 322 N 0.57 1.14 -0.57 1.69 5.08 -0.44 -0.48 114.58 121.57 1bqa h GLU 322 Ca 0.05 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1bqa h GLU 322 Cb 0.92 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1bqa h GLU 322 CO 0.08 0.87 0.02 1.25 -1.00 0.00 0.00 179.01 180.24 1bqa h LEU 323 N 1.13 0.96 -0.57 1.33 5.85 -0.70 -2.12 115.31 121.19 1bqa h LEU 323 Ca 0.27 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1bqa h LEU 323 Cb 0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1bqa h LEU 323 CO -0.04 1.02 0.34 0.74 -0.34 0.00 0.00 178.44 180.16 1bqa h THR 324 N 0.88 1.17 -0.99 1.05 2.02 -0.76 -0.86 112.91 115.43 1bqa h THR 324 Ca 0.16 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1bqa h THR 324 Cb 0.51 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1bqa h THR 324 CO 0.02 0.18 0.64 0.44 0.37 0.00 0.00 175.52 177.18 1bqa h ASP 325 N 0.77 1.05 0.18 4.18 3.32 -0.82 0.76 116.42 125.86 1bqa h ASP 325 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1bqa h ASP 325 Cb -0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1bqa h ASP 325 CO -0.04 0.69 -0.09 0.24 -1.72 0.00 0.00 179.24 178.33 1bqa h MET 326 N 1.20 -0.23 -0.51 3.56 2.86 -0.69 -0.84 114.93 120.29 1bqa h MET 326 Ca 0.41 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.13 1bqa h MET 326 Cb 0.08 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1bqa h MET 326 CO -0.15 0.02 0.19 -0.09 1.06 0.00 0.00 176.91 177.95 1bqa h ARG 327 N -0.47 0.36 -0.30 1.72 2.43 -0.78 -2.03 114.38 115.31 1bqa h ARG 327 Ca -0.02 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1bqa h ARG 327 Cb 0.36 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1bqa h ARG 327 CO 0.04 0.24 -0.15 1.96 -1.51 0.00 0.00 179.97 180.55 1bqa h GLN 328 N 0.38 0.52 -0.38 0.20 4.20 -0.80 -1.73 115.11 117.51 1bqa h GLN 328 Ca 0.24 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1bqa h GLN 328 Cb 0.25 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1bqa h GLN 328 CO -0.24 0.66 0.15 -0.09 -0.67 0.00 0.00 178.83 178.64 1bqa h ARG 329 N 0.48 0.31 -0.15 1.46 1.12 -0.45 0.35 114.38 117.49 1bqa h ARG 329 Ca 0.08 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 1bqa h ARG 329 Cb 0.55 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 1bqa h ARG 329 CO 0.03 0.20 0.06 0.82 -3.11 0.00 0.00 179.97 177.98 1bqa h ILE 330 N 0.32 1.15 -1.01 1.20 2.04 -1.11 -0.24 117.51 119.86 1bqa h ILE 330 Ca 0.17 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1bqa h ILE 330 Cb 0.13 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1bqa h ILE 330 CO -0.16 0.14 0.66 1.56 0.00 0.00 0.00 178.15 180.35 1bqa h GLN 331 N 0.09 1.24 -0.09 2.37 4.20 -1.03 -0.90 115.11 120.99 1bqa h GLN 331 Ca 0.05 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1bqa h GLN 331 Cb 0.17 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1bqa h GLN 331 CO -0.00 0.82 0.05 0.00 -0.67 0.00 0.00 178.83 179.02 1bqa h ARG 332 N 1.27 0.13 -0.93 1.46 -0.00 -0.60 -2.34 114.38 113.37 1bqa h ARG 332 Ca 0.40 -0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.88 1bqa h ARG 332 Cb 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 29.91 1bqa h ARG 332 CO -0.13 0.17 0.61 0.52 0.00 0.00 0.00 179.97 181.15 1bqa h MET 333 N 0.05 1.23 -0.44 0.04 2.86 -0.34 0.42 114.93 118.75 1bqa h MET 333 Ca 0.03 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1bqa h MET 333 Cb 0.08 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1bqa h MET 333 CO -0.01 0.82 0.27 0.00 1.06 0.00 0.00 176.91 179.05 1bqa h ARG 334 N 1.27 0.60 0.07 1.72 3.08 -1.04 0.89 114.38 120.97 1bqa h ARG 334 Ca 0.34 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1bqa h ARG 334 Cb -0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.78 1bqa h ARG 334 CO -0.07 0.44 -0.04 1.96 -1.07 0.00 0.00 179.97 181.19 1bqa h GLN 335 N 0.59 -0.10 -0.91 0.04 1.08 -1.01 -2.60 115.11 112.20 1bqa h GLN 335 Ca 0.16 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1bqa h GLN 335 Cb -0.00 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1bqa h GLN 335 CO -0.03 0.13 0.60 1.25 -0.95 0.00 0.00 178.83 179.83 1bqa h LEU 336 N -0.32 0.98 0.02 1.46 5.85 -0.76 -1.83 115.31 120.72 1bqa h LEU 336 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1bqa h LEU 336 Cb 0.27 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1bqa h LEU 336 CO 0.02 0.67 -0.01 0.15 -0.34 0.00 0.00 178.44 178.92 1bqa h PHE 337 N 1.13 -0.03 -0.43 1.25 3.57 -0.71 -0.47 116.94 121.25 1bqa h PHE 337 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1bqa h PHE 337 Cb 0.04 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1bqa h PHE 337 CO -0.00 0.02 0.28 0.28 -2.23 0.00 0.00 178.31 176.66 1bqa h VAL 338 N -0.08 1.10 -0.36 1.41 2.07 -1.10 -1.19 116.25 118.11 1bqa h VAL 338 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1bqa h VAL 338 Cb 0.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1bqa h VAL 338 CO 0.01 0.10 0.16 0.78 0.02 0.00 0.00 177.57 178.64 1bqa h ASN 339 N 0.57 0.47 -0.36 0.57 -0.26 -1.21 -2.07 115.58 113.29 1bqa h ASN 339 Ca 0.16 -0.14 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1bqa h ASN 339 Cb -0.05 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 1bqa h ASN 339 CO -0.04 0.48 0.04 0.74 -1.06 0.00 0.00 177.43 177.59 1bqa h THR 340 N 0.44 1.22 0.19 2.81 2.02 -0.92 -1.26 112.91 117.42 1bqa h THR 340 Ca 0.12 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1bqa h THR 340 Cb 0.14 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1bqa h THR 340 CO -0.01 0.31 -0.09 -0.07 0.37 0.00 0.00 175.52 176.02 1bqa h LEU 341 N 0.67 -0.22 -0.48 2.58 4.07 -0.98 -0.37 115.31 120.58 1bqa h LEU 341 Ca 0.14 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1bqa h LEU 341 Cb 0.36 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1bqa h LEU 341 CO 0.01 -0.09 0.26 1.56 -1.08 0.00 0.00 178.44 179.10 1bqa h GLN 342 N -0.34 0.51 -0.53 1.13 1.08 -1.11 -1.89 115.11 113.96 1bqa h GLN 342 Ca -0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1bqa h GLN 342 Cb 0.26 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1bqa h GLN 342 CO 0.04 0.34 0.30 0.93 -0.95 0.00 0.00 178.83 179.49 1bqa h GLU 343 N 0.52 0.74 0.00 1.46 5.08 -1.11 -2.36 114.58 118.91 1bqa h GLU 343 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1bqa h GLU 343 Cb 0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1bqa h GLU 343 CO -0.12 0.56 0.00 1.63 -1.00 0.00 0.00 179.01 180.08 1bqa n LYS 344 N -4.64 0.36 -1.67 2.33 4.01 -0.16 -4.79 118.16 113.60 1bqa n LYS 344 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1bqa n LYS 344 Cb 0.08 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 1bqa n LYS 344 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bqa n GLY 345 N -0.25 0.62 3.76 0.72 0.00 -0.89 -4.99 105.19 104.17 1bqa n GLY 345 Ca 0.06 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1bqa n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqa s ALA 346 N -2.61 3.37 -0.00 4.61 0.00 -0.75 -4.98 121.76 121.39 1bqa s ALA 346 Ca 0.00 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 1bqa s ALA 346 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1bqa s ALA 346 CO 0.00 -0.32 0.63 -0.97 0.00 0.00 0.00 175.76 175.10 1bqa h ASN 347 N 3.47 -0.16 -3.16 0.00 -1.24 -1.94 -3.47 115.58 109.07 1bqa h ASN 347 Ca -0.48 0.01 -0.46 0.00 0.71 0.00 0.00 56.30 56.08 1bqa h ASN 347 Cb 1.22 0.04 0.05 0.00 0.73 0.00 0.00 38.32 40.36 1bqa h ASN 347 CO 0.66 -0.06 0.08 -0.13 -1.29 0.00 0.00 177.43 176.68 1bqa s ARG 348 N -2.58 2.63 -0.02 6.67 3.00 -1.26 -5.07 118.95 122.32 1bqa s ARG 348 Ca -0.03 -0.40 -0.26 0.00 0.00 0.00 0.00 55.73 55.04 1bqa s ARG 348 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 34.95 32.55 1bqa s ARG 348 CO 0.08 -0.78 0.80 0.34 0.00 0.00 0.00 175.30 175.74 1bqa s ASP 349 N -4.39 7.15 0.00 0.23 2.15 -1.26 -4.93 116.67 115.62 1bqa s ASP 349 Ca 0.56 1.38 0.01 0.00 0.43 0.00 0.00 52.55 54.93 1bqa s ASP 349 Cb -0.10 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1bqa s ASP 349 CO 0.42 -0.13 0.99 0.49 -0.17 0.00 0.00 175.17 176.76 1bqa n PHE 350 N 3.61 0.04 0.28 -5.34 3.01 -1.26 -4.75 117.46 113.05 1bqa n PHE 350 Ca 0.01 -0.46 0.17 0.00 1.01 0.00 0.00 57.45 58.17 1bqa n PHE 350 Cb 0.51 -0.04 0.82 0.00 -0.01 0.00 0.00 39.48 40.76 1bqa n PHE 350 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1bqa h SER 351 N 0.19 0.00 0.11 4.37 4.64 -1.94 0.24 113.55 121.16 1bqa h SER 351 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1bqa h SER 351 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1bqa h SER 351 CO 0.00 0.00 -0.04 2.19 -0.87 0.00 0.00 176.83 178.11 1bqa h PHE 352 N 0.00 0.00 -0.94 4.77 -5.15 -1.95 -1.58 116.94 112.09 1bqa h PHE 352 Ca 0.04 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.92 1bqa h PHE 352 Cb 0.72 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.81 1bqa h PHE 352 CO 0.00 0.04 0.60 0.82 -2.00 0.00 0.00 178.31 177.77 1bqa h ILE 353 N 0.00 0.95 -0.01 0.88 1.08 -1.33 -1.21 117.51 117.87 1bqa h ILE 353 Ca -0.00 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 1bqa h ILE 353 Cb 0.10 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.79 1bqa h ILE 353 CO 0.01 0.17 -0.25 0.40 -0.69 0.00 0.00 178.15 177.79 1bqa h ILE 354 N 0.93 1.18 -0.04 -0.67 1.08 -1.48 -2.69 117.51 115.82 1bqa h ILE 354 Ca 0.45 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 1bqa h ILE 354 Cb 0.45 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1bqa h ILE 354 CO -0.21 0.25 0.00 0.29 -0.69 0.00 0.00 178.15 177.79 1bqa n LYS 355 N -4.24 1.44 -3.92 2.37 5.02 -0.46 -4.87 118.16 113.50 1bqa n LYS 355 Ca -0.02 -0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 55.28 1bqa n LYS 355 Cb 0.30 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 1bqa n LYS 355 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1bqa s GLN 356 N -1.95 3.41 -0.04 1.97 -0.21 -1.02 -4.90 119.66 116.92 1bqa s GLN 356 Ca 0.38 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.47 1bqa s GLN 356 Cb 0.19 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1bqa s GLN 356 CO 0.31 0.70 0.06 -0.80 -2.12 0.00 0.00 175.29 173.45 1bqa s ASN 357 N -1.67 5.60 0.00 5.90 0.01 0.87 -5.01 114.94 120.64 1bqa s ASN 357 Ca 0.23 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 1bqa s ASN 357 Cb -0.12 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1bqa s ASN 357 CO 0.14 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.66 1bqa n GLY 358 N 1.52 -1.76 0.16 0.66 0.00 -1.26 -4.32 105.19 100.18 1bqa n GLY 358 Ca -0.15 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1bqa n GLY 358 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1bqa h MET 359 N 0.00 0.00 -6.31 1.61 2.86 -1.93 -3.47 114.93 107.69 1bqa h MET 359 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 1bqa h MET 359 Cb 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.55 1bqa h MET 359 CO 0.00 0.43 -0.64 -0.06 1.06 0.00 0.00 176.91 177.70 1bqa s PHE 360 N -3.09 2.96 -0.04 -0.22 0.08 -1.26 -0.90 117.98 115.50 1bqa s PHE 360 Ca 0.04 -0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 1bqa s PHE 360 Cb 0.08 -1.46 0.10 0.00 -0.57 0.00 0.00 43.02 41.16 1bqa s PHE 360 CO 0.72 0.50 0.82 -1.12 -0.10 0.00 0.00 175.22 176.05 1bqa s SER 361 N -2.76 -0.48 -0.26 1.36 0.01 -1.14 -3.65 113.70 106.78 1bqa s SER 361 Ca 0.28 0.34 -0.18 0.00 1.31 0.00 0.00 55.95 57.70 1bqa s SER 361 Cb -0.10 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 1bqa s SER 361 CO 0.19 -0.58 0.52 -0.36 0.41 0.00 0.00 173.24 173.42 1bqa s PHE 362 N -2.00 3.27 0.29 2.43 0.08 -1.26 -1.74 117.98 119.07 1bqa s PHE 362 Ca -0.02 0.65 0.21 0.00 0.12 0.00 0.00 56.93 57.88 1bqa s PHE 362 Cb -0.01 -2.72 0.99 0.00 -0.57 0.00 0.00 43.02 40.72 1bqa s PHE 362 CO -0.01 -0.27 1.88 0.66 -0.10 0.00 0.00 175.22 177.39 1bqa h SER 363 N 7.98 0.00 0.00 1.36 4.64 -1.49 -3.47 113.55 122.57 1bqa h SER 363 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1bqa h SER 363 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1bqa h SER 363 CO 0.72 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1bqa n GLY 364 N -0.26 0.76 3.80 -0.77 0.00 -1.26 -5.05 105.19 102.41 1bqa n GLY 364 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1bqa n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bqa s LEU 365 N 0.00 3.81 0.49 0.99 1.02 -1.26 -5.04 118.68 118.69 1bqa s LEU 365 Ca 0.00 1.91 -0.05 0.00 0.02 0.00 0.00 54.13 56.02 1bqa s LEU 365 Cb 0.00 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.63 1bqa s LEU 365 CO 0.00 -0.81 0.78 0.42 0.02 0.00 0.00 176.35 176.76 1bqa s THR 366 N -2.04 4.60 0.28 5.49 -4.23 -1.26 -4.48 115.64 114.00 1bqa s THR 366 Ca 0.67 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1bqa s THR 366 Cb -0.16 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.19 1bqa s THR 366 CO 0.22 -0.71 1.76 0.50 -0.54 0.00 0.00 174.62 175.84 1bqa h LYS 367 N 0.19 0.62 -0.06 3.99 3.11 -1.95 0.64 116.57 123.11 1bqa h LYS 367 Ca -0.47 -0.04 -0.13 0.00 -2.81 0.00 0.00 60.65 57.20 1bqa h LYS 367 Cb 1.22 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1bqa h LYS 367 CO 0.61 0.41 -0.56 0.93 -2.81 0.00 0.00 179.45 178.04 1bqa h GLU 368 N 0.64 0.18 -0.29 1.90 3.07 -1.93 -2.12 114.58 116.04 1bqa h GLU 368 Ca 0.51 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 59.17 1bqa h GLU 368 Cb 0.78 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1bqa h GLU 368 CO -0.39 0.69 -0.16 1.96 -1.40 0.00 0.00 179.01 179.71 1bqa h GLN 369 N 0.14 0.61 -0.29 2.33 4.20 -1.34 -1.36 115.11 119.40 1bqa h GLN 369 Ca -0.00 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.46 1bqa h GLN 369 Cb 1.02 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1bqa h GLN 369 CO 0.08 0.86 0.10 0.28 -0.67 0.00 0.00 178.83 179.48 1bqa h VAL 370 N 0.36 0.92 -0.72 -0.54 2.07 -0.88 0.12 116.25 117.57 1bqa h VAL 370 Ca 0.06 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1bqa h VAL 370 Cb 0.69 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1bqa h VAL 370 CO 0.05 0.04 0.44 0.25 0.02 0.00 0.00 177.57 178.37 1bqa h LEU 371 N 0.22 0.71 -0.08 2.57 6.46 -1.31 -2.42 115.31 121.46 1bqa h LEU 371 Ca 0.13 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1bqa h LEU 371 Cb 0.10 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1bqa h LEU 371 CO -0.14 0.47 0.04 -0.09 -0.62 0.00 0.00 178.44 178.11 1bqa h ARG 372 N 0.84 0.11 -0.81 1.25 2.43 -0.43 -1.61 114.38 116.16 1bqa h ARG 372 Ca 0.30 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.63 1bqa h ARG 372 Cb 0.08 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.50 1bqa h ARG 372 CO -0.14 0.20 0.31 -0.07 -1.51 0.00 0.00 179.97 178.76 1bqa h LEU 373 N 0.00 0.24 0.03 3.80 3.38 -0.32 0.15 115.31 122.60 1bqa h LEU 373 Ca 0.03 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bqa h LEU 373 Cb 0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bqa h LEU 373 CO -0.00 0.04 -0.02 -0.09 0.09 0.00 0.00 178.44 178.46 1bqa h ARG 374 N 0.40 -0.04 0.09 1.13 2.43 -1.19 0.24 114.38 117.44 1bqa h ARG 374 Ca 0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1bqa h ARG 374 Cb 0.81 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1bqa h ARG 374 CO -0.48 0.59 -0.04 0.93 -1.51 0.00 0.00 179.97 179.46 1bqa h GLU 375 N -0.73 -0.12 0.14 0.20 3.07 -0.95 -1.94 114.58 114.27 1bqa h GLU 375 Ca -0.00 0.01 -0.32 0.00 -0.50 0.00 0.00 59.36 58.55 1bqa h GLU 375 Cb 0.65 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1bqa h GLU 375 CO 0.01 -0.06 -1.57 0.93 -1.40 0.00 0.00 179.01 176.92 1bqa h GLU 376 N -0.14 0.30 -0.00 2.33 5.08 -0.85 -3.41 114.58 117.89 1bqa h GLU 376 Ca -0.01 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1bqa h GLU 376 Cb 0.11 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1bqa h GLU 376 CO 0.02 1.18 -0.24 1.19 -1.00 0.00 0.00 179.01 180.17 1bqa n PHE 377 N -3.50 0.00 -1.12 4.33 3.01 0.72 -5.00 117.46 115.90 1bqa n PHE 377 Ca -0.18 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.24 1bqa n PHE 377 Cb 1.05 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.51 1bqa n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bqa n GLY 378 N 1.03 0.70 3.62 1.37 0.00 -0.44 -4.69 105.19 106.78 1bqa n GLY 378 Ca 0.02 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1bqa n GLY 378 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqa s VAL 379 N -2.11 5.18 -0.19 1.61 1.01 -0.93 -1.13 120.40 123.85 1bqa s VAL 379 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1bqa s VAL 379 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1bqa s VAL 379 CO 0.00 0.18 0.07 -0.31 0.00 0.00 0.00 175.10 175.04 1bqa s TYR 380 N 1.86 3.25 0.17 5.22 1.51 0.10 -2.57 117.35 126.90 1bqa s TYR 380 Ca 0.16 0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1bqa s TYR 380 Cb -0.15 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.60 1bqa s TYR 380 CO 0.09 0.13 0.34 0.00 -1.11 0.00 0.00 175.55 175.01 1bqa s ALA 381 N 0.44 -0.20 0.45 3.71 0.00 -1.26 -0.12 121.76 124.78 1bqa s ALA 381 Ca 0.03 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1bqa s ALA 381 Cb -0.12 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.77 1bqa s ALA 381 CO 0.00 -0.69 1.03 0.08 0.00 0.00 0.00 175.76 176.19 1bqa s VAL 382 N -3.95 3.83 0.62 0.00 1.01 -1.18 -4.90 120.40 115.83 1bqa s VAL 382 Ca 0.16 1.23 0.31 0.00 0.00 0.00 0.00 61.98 63.67 1bqa s VAL 382 Cb 0.02 -3.55 0.35 0.00 0.00 0.00 0.00 36.38 33.21 1bqa s VAL 382 CO -0.00 -0.16 2.02 0.00 0.00 0.00 0.00 175.10 176.95 1bqa h ALA 383 N 1.92 1.66 0.00 5.51 0.00 -1.94 0.22 119.26 126.62 1bqa h ALA 383 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bqa h ALA 383 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bqa h ALA 383 CO 0.60 -0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1bqa n SER 384 N -3.40 0.00 0.00 0.00 3.41 -1.26 -4.18 113.62 108.18 1bqa n SER 384 Ca 0.02 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1bqa n SER 384 Cb 0.40 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1bqa n SER 384 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bqa n GLY 385 N 0.94 0.64 3.73 5.00 0.00 0.76 -4.83 105.19 111.42 1bqa n GLY 385 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1bqa n GLY 385 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bqa s ARG 386 N -0.24 4.52 0.08 1.61 3.52 -1.24 -1.23 118.95 125.96 1bqa s ARG 386 Ca 0.00 1.76 0.06 0.00 -0.13 0.00 0.00 55.73 57.42 1bqa s ARG 386 Cb 0.00 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1bqa s ARG 386 CO 0.00 -0.06 -0.16 0.14 -0.81 0.00 0.00 175.30 174.41 1bqa s VAL 387 N 0.19 1.31 -0.42 7.11 -7.23 -0.71 -3.13 120.40 117.52 1bqa s VAL 387 Ca 0.53 -1.37 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1bqa s VAL 387 Cb -0.30 -1.23 0.06 0.00 0.56 0.00 0.00 36.38 35.48 1bqa s VAL 387 CO 0.34 -0.16 0.27 0.21 -0.31 0.00 0.00 175.10 175.45 1bqa s ASN 388 N -1.77 5.78 0.63 4.85 3.84 -0.51 -2.94 114.94 124.83 1bqa s ASN 388 Ca 0.01 -1.29 0.36 0.00 0.21 0.00 0.00 52.86 52.15 1bqa s ASN 388 Cb -0.10 -2.04 2.08 0.00 -0.55 0.00 0.00 41.25 40.63 1bqa s ASN 388 CO 0.03 -0.51 2.28 -0.37 -2.79 0.00 0.00 177.10 175.74 1bqa h VAL 389 N 5.94 0.27 0.00 -5.21 -1.51 -1.35 -0.72 116.25 113.67 1bqa h VAL 389 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1bqa h VAL 389 Cb 1.10 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1bqa h VAL 389 CO 0.75 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.09 1bqa n ALA 390 N -2.20 1.60 1.29 5.19 0.00 -1.26 -1.18 120.51 123.95 1bqa n ALA 390 Ca -0.03 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1bqa n ALA 390 Cb 0.11 -1.31 0.59 0.00 0.00 0.00 0.00 19.45 18.83 1bqa n ALA 390 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bqa n GLY 391 N -0.14 -1.11 3.87 0.00 0.00 -0.28 -4.25 105.19 103.28 1bqa n GLY 391 Ca 0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1bqa n GLY 391 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bqa s MET 392 N -2.63 3.76 0.04 1.61 -1.94 -0.32 -4.81 119.30 115.00 1bqa s MET 392 Ca 0.24 0.17 -0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1bqa s MET 392 Cb 0.20 -2.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1bqa s MET 392 CO 0.51 0.55 -0.04 0.95 -0.01 0.00 0.00 175.02 176.98 1bqa s THR 393 N -1.43 0.23 0.56 2.05 -4.23 -1.26 -4.93 115.64 106.63 1bqa s THR 393 Ca 0.34 -1.32 0.26 0.00 -1.18 0.00 0.00 61.69 59.80 1bqa s THR 393 Cb -0.14 -0.84 0.37 0.00 1.34 0.00 0.00 72.50 73.24 1bqa s THR 393 CO 0.19 -0.69 2.03 -0.65 -0.54 0.00 0.00 174.62 174.95 1bqa h PRO 394 N 3.98 0.00 0.01 3.99 0.11 -1.99 0.19 132.00 138.29 1bqa h PRO 394 Ca -0.33 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.52 1bqa h PRO 394 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1bqa h PRO 394 CO 0.52 0.00 -1.04 -0.44 -0.21 0.00 0.00 178.00 176.83 1bqa h ASP 395 N 0.00 0.79 0.03 -2.05 3.32 -1.95 -3.31 116.42 113.25 1bqa h ASP 395 Ca 0.17 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1bqa h ASP 395 Cb 0.79 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1bqa h ASP 395 CO -0.00 1.45 -0.20 -0.46 -1.72 0.00 0.00 179.24 178.30 1bqa n ASN 396 N -3.81 2.02 -0.01 6.45 0.23 -0.40 -4.54 115.26 115.20 1bqa n ASN 396 Ca -0.10 -1.53 -0.09 0.00 -0.53 0.00 0.00 54.58 52.33 1bqa n ASN 396 Cb 0.88 0.18 -0.03 0.00 -2.08 0.00 0.00 39.78 38.73 1bqa n ASN 396 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1bqa h MET 397 N 2.85 -0.14 0.48 -3.83 4.05 -0.79 -2.32 114.93 115.23 1bqa h MET 397 Ca 0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1bqa h MET 397 Cb 0.73 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 1bqa h MET 397 CO 0.00 -0.09 -0.43 0.00 0.23 0.00 0.00 176.91 176.62 1bqa h ALA 398 N 0.94 -0.97 -0.97 0.39 0.00 -1.81 -0.74 119.26 116.10 1bqa h ALA 398 Ca 0.09 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1bqa h ALA 398 Cb 0.28 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1bqa h ALA 398 CO -0.23 -1.08 0.62 -1.00 0.00 0.00 0.00 179.25 177.56 1bqa h PRO 399 N -0.91 1.08 -0.09 0.00 0.13 -1.86 -0.36 132.00 129.99 1bqa h PRO 399 Ca -0.05 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1bqa h PRO 399 Cb 0.79 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1bqa h PRO 399 CO -0.03 0.71 0.06 1.25 -0.23 0.00 0.00 178.00 179.76 1bqa h LEU 400 N 1.11 0.10 -0.75 1.56 5.85 -1.14 -1.91 115.31 120.13 1bqa h LEU 400 Ca 0.42 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 59.01 1bqa h LEU 400 Cb 0.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1bqa h LEU 400 CO -0.18 0.09 -0.35 0.00 -0.34 0.00 0.00 178.44 177.65 1bqa h GLU 402 N 0.46 0.67 -0.24 0.00 4.81 -0.91 -0.79 114.58 118.58 1bqa h GLU 402 Ca 0.05 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1bqa h GLU 402 Cb 0.83 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1bqa h GLU 402 CO 0.07 0.70 -0.12 0.00 -0.73 0.00 0.00 179.01 178.94 1bqa h ALA 403 N 1.35 0.34 -0.56 2.92 0.00 -1.15 -2.23 119.26 119.92 1bqa h ALA 403 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bqa h ALA 403 Cb 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1bqa h ALA 403 CO 0.02 0.20 0.34 0.82 0.00 0.00 0.00 179.25 180.63 1bqa h ILE 404 N 0.22 1.16 -1.00 0.00 2.04 -1.12 -2.10 117.51 116.72 1bqa h ILE 404 Ca 0.05 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1bqa h ILE 404 Cb 0.62 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1bqa h ILE 404 CO 0.04 0.17 0.65 0.58 0.00 0.00 0.00 178.15 179.59 1bqa h VAL 405 N 0.75 1.19 0.00 1.67 2.07 -1.10 -1.38 116.25 119.45 1bqa h VAL 405 Ca 0.20 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1bqa h VAL 405 Cb -0.03 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.54 1bqa h VAL 405 CO -0.04 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1bqa n ALA 407 N -2.37 1.27 0.41 1.67 0.00 -0.80 -2.41 120.51 118.27 1bqa n ALA 407 Ca 0.13 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.68 1bqa n ALA 407 Cb 0.08 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1bqa n ALA 407 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1bqa n VAL 408 N -1.86 0.00 0.91 0.00 0.24 -0.54 -5.10 118.33 111.99 1bqa n VAL 408 Ca 0.01 -0.38 0.07 0.00 -2.04 0.00 0.00 64.34 62.00 1bqa n VAL 408 Cb 0.09 1.08 0.43 0.00 -1.47 0.00 0.00 33.84 33.97 1bqa n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87