#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 0.00 -0.29 2.03 3.72 -1.26 -4.67 117.46 116.99 1bqa n PHE 6 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1bqa n PHE 6 Cb 0.00 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.78 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 2.92 0.49 -0.33 -1.08 3.07 -2.12 -2.68 114.58 114.85 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 0.68 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1bqa h GLU 7 CO 0.00 0.33 0.00 -1.71 -1.40 0.00 0.00 179.01 176.23 1bqa n ASN 8 N -4.96 2.99 -4.71 1.42 4.05 -1.26 -4.96 115.26 107.83 1bqa n ASN 8 Ca 0.18 -1.93 -0.42 0.00 0.45 0.00 0.00 54.58 52.86 1bqa n ASN 8 Cb 0.49 -0.21 -0.03 0.00 1.23 0.00 0.00 39.78 41.26 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 -1.58 2.48 0.06 -1.44 1.01 -1.01 -4.98 121.20 115.73 1bqa s ILE 9 Ca 0.37 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.15 1bqa s ILE 9 Cb 0.21 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 1bqa s ILE 9 CO 0.30 0.02 0.50 0.42 0.00 0.00 0.00 174.94 176.18 1bqa s THR 10 N 1.42 4.89 0.44 2.92 -4.23 -1.26 -5.04 115.64 114.77 1bqa s THR 10 Ca 0.73 0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 61.94 1bqa s THR 10 Cb -0.45 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.52 1bqa s THR 10 CO 0.32 0.49 1.41 0.00 -0.54 0.00 0.00 174.62 176.30 1bqa s ALA 11 N -1.18 3.26 0.47 3.99 0.00 -1.26 -4.97 121.76 122.07 1bqa s ALA 11 Ca 0.29 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.47 1bqa s ALA 11 Cb -0.17 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 1bqa s ALA 11 CO 0.17 -1.14 1.09 0.00 0.00 0.00 0.00 175.76 175.89 1bqa s ALA 12 N -1.21 2.91 0.81 0.00 0.00 -1.26 -4.99 121.76 118.03 1bqa s ALA 12 Ca 0.60 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1bqa s ALA 12 Cb -0.43 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.46 1bqa s ALA 12 CO 0.56 -0.47 1.19 -2.14 0.00 0.00 0.00 175.76 174.90 1bqa s PRO 13 N -2.92 1.62 -0.09 0.00 0.02 -1.26 -4.98 135.00 127.38 1bqa s PRO 13 Ca 0.65 1.70 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 1bqa s PRO 13 Cb -0.22 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1bqa s PRO 13 CO 0.27 -2.21 0.40 0.00 -0.33 0.00 0.00 177.00 175.12 1bqa s ALA 14 N -2.23 3.59 0.45 -1.55 0.00 -1.26 -5.06 121.76 115.70 1bqa s ALA 14 Ca 0.72 -0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 1bqa s ALA 14 Cb -0.27 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1bqa s ALA 14 CO 0.51 0.21 1.34 -0.51 0.00 0.00 0.00 175.76 177.31 1bqa s ASP 15 N -0.05 5.96 0.04 0.00 1.01 -1.26 -4.95 116.67 117.43 1bqa s ASP 15 Ca 0.22 2.74 -0.17 0.00 0.71 0.00 0.00 52.55 56.05 1bqa s ASP 15 Cb -0.15 -2.64 -0.21 0.00 1.01 0.00 0.00 42.92 40.93 1bqa s ASP 15 CO 0.09 -1.10 1.18 -0.65 0.21 0.00 0.00 175.17 174.91 1bqa h PRO 16 N 2.29 0.56 -0.03 8.23 0.11 -1.97 -2.61 132.00 138.58 1bqa h PRO 16 Ca -0.50 -0.53 0.02 0.00 0.11 0.00 0.00 66.00 65.10 1bqa h PRO 16 Cb 1.26 0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.45 1bqa h PRO 16 CO 0.61 1.16 -0.52 0.97 -0.21 0.00 0.00 178.00 180.01 1bqa h ILE 17 N 0.15 0.02 -0.52 4.15 6.09 -1.92 2.77 117.51 128.25 1bqa h ILE 17 Ca -0.07 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.46 1bqa h ILE 17 Cb 1.36 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.65 1bqa h ILE 17 CO 0.14 0.00 0.34 -0.07 -3.07 0.00 0.00 178.15 175.49 1bqa h LEU 18 N -0.64 0.47 -0.64 2.19 4.07 -1.95 0.68 115.31 119.49 1bqa h LEU 18 Ca 0.02 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 1bqa h LEU 18 Cb 0.71 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1bqa h LEU 18 CO -0.37 0.32 -0.64 1.23 -1.08 0.00 0.00 178.44 177.90 1bqa h GLY 19 N 0.55 0.18 0.93 0.83 0.00 -0.57 -2.64 103.07 102.36 1bqa h GLY 19 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1bqa h GLY 19 CO -0.06 0.22 -0.17 -2.00 0.00 0.00 0.00 176.54 174.53 1bqa h LEU 20 N 0.12 0.69 0.23 3.11 7.12 0.68 -2.78 115.31 124.47 1bqa h LEU 20 Ca -0.01 -0.42 0.01 0.00 0.13 0.00 0.00 57.88 57.59 1bqa h LEU 20 Cb 1.15 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 41.05 1bqa h LEU 20 CO 0.09 0.95 -0.41 0.00 -0.13 0.00 0.00 178.44 178.95 1bqa h ALA 21 N 0.76 -0.78 -0.90 1.25 0.00 -0.80 0.13 119.26 118.91 1bqa h ALA 21 Ca 0.07 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1bqa h ALA 21 Cb 0.70 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 1bqa h ALA 21 CO 0.05 -1.00 0.51 -0.44 0.00 0.00 0.00 179.25 178.37 1bqa h ASP 22 N -0.71 0.65 -0.53 0.00 3.32 -1.50 0.39 116.42 118.04 1bqa h ASP 22 Ca 0.00 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1bqa h ASP 22 Cb 0.69 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1bqa h ASP 22 CO -0.17 0.29 0.10 0.25 -1.72 0.00 0.00 179.24 177.98 1bqa h LEU 23 N 0.72 0.84 -0.13 1.55 6.46 -1.09 -1.89 115.31 121.77 1bqa h LEU 23 Ca 0.49 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1bqa h LEU 23 Cb 0.66 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1bqa h LEU 23 CO -0.34 0.88 0.08 0.15 -0.62 0.00 0.00 178.44 178.58 1bqa h PHE 24 N 0.76 0.17 0.11 1.25 3.57 0.84 -3.11 116.94 120.54 1bqa h PHE 24 Ca 0.16 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1bqa h PHE 24 Cb 0.39 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1bqa h PHE 24 CO 0.03 0.14 -0.31 -0.09 -2.23 0.00 0.00 178.31 175.85 1bqa h ARG 25 N 0.15 -0.51 -0.50 1.11 2.43 -0.84 -1.93 114.38 114.29 1bqa h ARG 25 Ca 0.05 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1bqa h ARG 25 Cb 0.02 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1bqa h ARG 25 CO -0.01 -0.34 0.00 0.00 -1.51 0.00 0.00 179.97 178.11 1bqa n ALA 26 N -2.69 1.69 -2.68 2.80 0.00 -0.72 -4.71 120.51 114.19 1bqa n ALA 26 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 1bqa n ALA 26 Cb 0.32 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.48 5.84 0.45 0.00 -1.08 -0.73 -4.97 116.67 115.69 1bqa s ASP 27 Ca 0.00 -0.21 0.25 0.00 -0.52 0.00 0.00 52.55 52.07 1bqa s ASP 27 Cb 0.00 -2.08 0.84 0.00 -1.46 0.00 0.00 42.92 40.22 1bqa s ASP 27 CO 0.00 -0.11 1.79 -0.33 0.52 0.00 0.00 175.17 177.03 1bqa h GLU 28 N 8.38 0.00 -6.55 4.34 5.08 -1.88 -3.46 114.58 120.49 1bqa h GLU 28 Ca -0.34 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.47 1bqa h GLU 28 Cb 1.17 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.63 1bqa h GLU 28 CO 0.58 0.17 -0.80 0.54 -1.00 0.00 0.00 179.01 178.51 1bqa n ARG 29 N -3.26 -0.02 -0.11 2.33 3.00 -1.26 -4.97 116.66 112.37 1bqa n ARG 29 Ca 0.01 0.03 -0.20 0.00 -0.01 0.00 0.00 57.85 57.68 1bqa n ARG 29 Cb 0.45 -1.63 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 1bqa n ARG 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bqa n PRO 30 N -0.39 0.55 0.00 5.56 -0.04 -1.26 -4.42 135.00 135.00 1bqa n PRO 30 Ca 0.06 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1bqa n PRO 30 Cb 0.52 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1bqa n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bqa n GLY 31 N 1.41 1.01 3.73 0.55 0.00 -1.26 -4.90 105.19 105.73 1bqa n GLY 31 Ca -0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 0.04 2.25 -4.52 1.61 2.85 -1.26 -4.85 118.16 114.28 1bqa n LYS 32 Ca 0.00 0.79 -0.23 0.00 -1.05 0.00 0.00 58.31 57.83 1bqa n LYS 32 Cb 0.18 -2.50 -0.16 0.00 -0.65 0.00 0.00 35.03 31.90 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 -1.15 0.99 -0.36 0.58 1.01 -0.23 -5.01 121.20 117.03 1bqa s ILE 33 Ca 0.58 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 1bqa s ILE 33 Cb -0.50 -0.89 0.07 0.00 0.01 0.00 0.00 42.46 41.15 1bqa s ILE 33 CO 0.61 0.31 0.14 0.21 0.00 0.00 0.00 174.94 176.20 1bqa s ASN 34 N 0.35 5.24 -0.01 3.58 2.47 -1.26 -0.06 114.94 125.25 1bqa s ASN 34 Ca -0.07 -1.52 0.18 0.00 0.42 0.00 0.00 52.86 51.87 1bqa s ASN 34 Cb -0.12 -1.84 0.53 0.00 -1.45 0.00 0.00 41.25 38.38 1bqa s ASN 34 CO 0.02 -0.41 1.44 0.18 -3.72 0.00 0.00 177.10 174.61 1bqa n LEU 35 N 4.71 3.65 -1.11 3.21 4.77 0.12 -4.32 117.00 128.02 1bqa n LEU 35 Ca -0.09 -2.04 0.11 0.00 -0.03 0.00 0.00 56.01 53.96 1bqa n LEU 35 Cb 0.43 -0.41 0.27 0.00 -2.33 0.00 0.00 43.42 41.38 1bqa n LEU 35 CO 0.32 0.89 0.73 0.61 -1.33 0.00 0.00 177.39 178.61 1bqa n GLY 36 N 1.19 1.75 3.78 -0.72 0.00 -1.19 -1.59 105.19 108.41 1bqa n GLY 36 Ca 0.20 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.32 3.53 -0.25 -0.61 -4.36 -1.26 -4.94 121.20 111.98 1bqa s ILE 37 Ca 0.41 0.50 0.03 0.00 -0.26 0.00 0.00 60.65 61.32 1bqa s ILE 37 Cb 0.22 -3.06 0.07 0.00 1.25 0.00 0.00 42.46 40.94 1bqa s ILE 37 CO 0.30 -0.64 1.02 0.61 0.24 0.00 0.00 174.94 176.47 1bqa n GLY 38 N -1.41 2.58 3.50 6.27 0.00 -1.26 -4.72 105.19 110.15 1bqa n GLY 38 Ca 0.09 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.93 1.69 0.51 1.61 -7.23 -1.26 -5.13 120.40 109.66 1bqa s VAL 39 Ca 0.06 -2.07 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 1bqa s VAL 39 Cb 0.03 -2.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1bqa s VAL 39 CO 0.04 -0.12 1.07 -0.47 -0.31 0.00 0.00 175.10 175.31 1bqa s TYR 40 N -2.96 2.88 -0.02 2.82 5.04 -1.26 -4.87 117.35 118.99 1bqa s TYR 40 Ca 0.33 1.56 -0.01 0.00 -2.44 0.00 0.00 57.07 56.51 1bqa s TYR 40 Cb 0.07 -3.14 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1bqa s TYR 40 CO 0.15 -1.10 0.04 0.15 -1.34 0.00 0.00 175.55 173.45 1bqa s LYS 41 N -3.32 0.04 0.89 4.97 1.02 -1.26 -4.46 119.74 117.62 1bqa s LYS 41 Ca 0.69 0.07 -0.11 0.00 0.02 0.00 0.00 55.97 56.64 1bqa s LYS 41 Cb -0.19 0.00 0.20 0.00 -0.52 0.00 0.00 37.83 37.32 1bqa s LYS 41 CO 0.24 -0.02 1.22 -0.40 -0.92 0.00 0.00 175.35 175.46 1bqa n ASP 42 N 3.16 0.54 0.07 2.83 5.68 0.90 -4.83 116.55 124.89 1bqa n ASP 42 Ca -0.13 -1.71 0.20 0.00 -0.50 0.00 0.00 54.79 52.65 1bqa n ASP 42 Cb 0.59 -0.89 0.74 0.00 -1.14 0.00 0.00 41.12 40.42 1bqa n ASP 42 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1bqa h GLU 43 N 0.00 0.00 -0.01 0.11 9.09 -1.92 0.16 114.58 122.02 1bqa h GLU 43 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 1bqa h GLU 43 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1bqa h GLU 43 CO 0.32 0.00 -0.13 0.25 0.05 0.00 0.00 179.01 179.50 1bqa n THR 44 N -3.93 0.00 -1.05 -1.06 -2.24 -1.26 -4.88 114.28 99.87 1bqa n THR 44 Ca 0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1bqa n THR 44 Cb 0.59 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.26 0.71 3.45 3.38 0.00 0.57 -5.07 105.19 109.48 1bqa n GLY 45 Ca 0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.24 1.61 -0.76 1.61 -2.85 -1.26 -4.81 119.74 111.04 1bqa s LYS 46 Ca 0.00 -1.84 0.03 0.00 -1.00 0.00 0.00 55.97 53.16 1bqa s LYS 46 Cb 0.00 -1.13 0.20 0.00 -2.06 0.00 0.00 37.83 34.83 1bqa s LYS 46 CO 0.00 -0.02 0.63 2.41 0.10 0.00 0.00 175.35 178.47 1bqa n THR 47 N -0.64 2.17 -1.15 3.79 -1.04 -1.26 -0.07 114.28 116.08 1bqa n THR 47 Ca -0.05 -5.01 -0.29 0.00 -2.04 0.00 0.00 64.05 56.67 1bqa n THR 47 Cb 0.64 -2.22 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 -1.63 0.04 -0.09 -2.82 0.04 -1.26 -5.02 135.00 124.26 1bqa s PRO 48 Ca 0.28 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 1bqa s PRO 48 Cb -0.02 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 1bqa s PRO 48 CO -0.13 -2.96 0.48 0.08 0.04 0.00 0.00 177.00 174.51 1bqa s VAL 49 N -2.98 5.14 0.61 -0.36 1.01 -1.26 -4.97 120.40 117.59 1bqa s VAL 49 Ca 0.66 0.97 -0.19 0.00 0.00 0.00 0.00 61.98 63.43 1bqa s VAL 49 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1bqa s VAL 49 CO 0.57 0.37 1.28 -0.76 0.00 0.00 0.00 175.10 176.56 1bqa s LEU 50 N 0.32 3.65 0.13 3.92 1.02 -1.26 -4.86 118.68 121.59 1bqa s LEU 50 Ca 0.26 2.57 -0.15 0.00 0.02 0.00 0.00 54.13 56.83 1bqa s LEU 50 Cb -0.16 -4.56 -0.00 0.00 0.02 0.00 0.00 46.19 41.49 1bqa s LEU 50 CO 0.11 -1.81 1.64 0.74 0.02 0.00 0.00 176.35 177.06 1bqa h THR 51 N 0.79 1.23 -0.67 5.49 2.02 -1.97 -1.47 112.91 118.33 1bqa h THR 51 Ca -0.51 -0.78 0.04 0.00 0.77 0.00 0.00 66.41 65.93 1bqa h THR 51 Cb 1.32 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1bqa h THR 51 CO 0.54 0.27 0.44 0.77 0.37 0.00 0.00 175.52 177.92 1bqa h SER 52 N 0.54 0.68 -0.22 4.18 4.64 -1.91 -0.62 113.55 120.84 1bqa h SER 52 Ca 0.13 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1bqa h SER 52 Cb 0.30 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1bqa h SER 52 CO 0.00 0.46 -0.05 0.58 -0.87 0.00 0.00 176.83 176.96 1bqa h VAL 53 N 0.78 1.28 -0.88 0.95 2.07 -1.81 -0.91 116.25 117.74 1bqa h VAL 53 Ca 0.27 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1bqa h VAL 53 Cb 0.10 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1bqa h VAL 53 CO -0.08 0.31 0.58 0.50 0.02 0.00 0.00 177.57 178.91 1bqa h LYS 54 N 0.16 1.15 -0.48 1.57 1.63 -0.64 0.73 116.57 120.69 1bqa h LYS 54 Ca 0.06 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1bqa h LYS 54 Cb 0.49 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1bqa h LYS 54 CO 0.02 0.76 0.15 0.87 -3.45 0.00 0.00 179.45 177.80 1bqa h LYS 55 N 1.18 0.75 -0.73 1.90 1.57 -0.98 -1.86 116.57 118.40 1bqa h LYS 55 Ca 0.32 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1bqa h LYS 55 Cb -0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1bqa h LYS 55 CO -0.07 0.71 0.34 0.00 -0.57 0.00 0.00 179.45 179.86 1bqa h ALA 56 N 1.00 0.94 -0.25 3.86 0.00 -0.52 -2.42 119.26 121.88 1bqa h ALA 56 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bqa h ALA 56 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bqa h ALA 56 CO -0.00 0.51 0.04 0.93 0.00 0.00 0.00 179.25 180.73 1bqa h GLU 57 N 1.02 0.36 -0.25 0.00 5.08 -0.54 -1.36 114.58 118.89 1bqa h GLU 57 Ca 0.25 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1bqa h GLU 57 Cb 0.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1bqa h GLU 57 CO -0.03 0.36 -0.18 0.37 -1.00 0.00 0.00 179.01 178.53 1bqa h GLN 58 N 0.36 0.56 -0.74 2.33 5.75 -0.93 -2.05 115.11 120.39 1bqa h GLN 58 Ca 0.09 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 58.36 1bqa h GLN 58 Cb 0.18 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1bqa h GLN 58 CO -0.00 0.85 0.45 -0.92 -2.65 0.00 0.00 178.83 176.56 1bqa h TYR 59 N 0.27 0.83 -0.47 3.99 3.20 -0.95 -1.98 116.97 121.86 1bqa h TYR 59 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1bqa h TYR 59 Cb 0.72 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1bqa h TYR 59 CO 0.07 0.44 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.94 1bqa h LEU 60 N 0.85 0.84 -0.92 2.82 3.38 -1.17 -0.47 115.31 120.64 1bqa h LEU 60 Ca 0.31 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1bqa h LEU 60 Cb 0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1bqa h LEU 60 CO -0.14 0.96 0.58 0.25 0.09 0.00 0.00 178.44 180.17 1bqa h LEU 61 N 0.70 0.92 -0.02 1.67 5.85 -0.93 0.13 115.31 123.63 1bqa h LEU 61 Ca 0.13 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.68 1bqa h LEU 61 Cb 0.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1bqa h LEU 61 CO 0.03 0.58 -0.87 -0.33 -0.34 0.00 0.00 178.44 177.51 1bqa h GLU 62 N 1.05 0.00 0.00 1.25 5.08 -1.14 -3.38 114.58 117.44 1bqa h GLU 62 Ca 0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1bqa h GLU 62 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1bqa h GLU 62 CO -0.18 0.87 -1.79 0.09 -1.00 0.00 0.00 179.01 177.00 1bqa n ASN 63 N -3.33 1.14 -4.70 1.42 3.02 -0.21 -4.98 115.26 107.62 1bqa n ASN 63 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1bqa n ASN 63 Cb 0.88 1.72 -0.03 0.00 -0.61 0.00 0.00 39.78 41.74 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 -3.13 4.19 0.00 3.52 2.02 0.42 -4.89 118.70 120.84 1bqa s GLU 64 Ca -0.06 2.40 0.06 0.00 0.02 0.00 0.00 54.97 57.39 1bqa s GLU 64 Cb 0.10 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 1bqa s GLU 64 CO 0.70 -0.69 0.45 0.25 0.02 0.00 0.00 175.26 175.99 1bqa n THR 66 N 4.33 0.00 -3.48 3.63 -2.24 -1.26 -4.99 114.28 110.27 1bqa n THR 66 Ca 0.15 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1bqa n THR 66 Cb 0.39 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.07 0.00 -0.20 4.28 -1.32 -1.26 -5.03 115.64 111.04 1bqa s THR 67 Ca 0.05 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.66 1bqa s THR 67 Cb 0.05 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.45 1bqa s THR 67 CO 0.16 0.00 1.26 0.29 -2.21 0.00 0.00 174.62 174.13 1bqa n LYS 68 N 0.12 1.66 -1.70 7.08 5.02 -1.26 -5.05 118.16 124.03 1bqa n LYS 68 Ca -0.16 -3.05 -0.40 0.00 -2.02 0.00 0.00 58.31 52.68 1bqa n LYS 68 Cb 0.61 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1bqa n LYS 68 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bqa n ASN 69 N -1.16 2.27 -4.44 4.39 5.15 -1.26 -4.87 115.26 115.33 1bqa n ASN 69 Ca 0.21 1.02 -0.44 0.00 -0.60 0.00 0.00 54.58 54.77 1bqa n ASN 69 Cb 0.76 -1.50 -0.01 0.00 -0.53 0.00 0.00 39.78 38.50 1bqa n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1bqa n TYR 70 N -0.71 -0.38 -2.58 1.20 4.01 -1.26 -4.99 117.16 112.46 1bqa n TYR 70 Ca 0.09 0.73 -0.23 0.00 -0.16 0.00 0.00 57.90 58.32 1bqa n TYR 70 Cb 0.42 -2.00 0.04 0.00 -0.31 0.00 0.00 39.34 37.49 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 2.22 3.25 0.89 7.72 1.43 -1.26 -5.06 118.68 127.86 1bqa s LEU 71 Ca 0.62 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1bqa s LEU 71 Cb -0.72 -3.08 0.12 0.00 0.03 0.00 0.00 46.19 42.55 1bqa s LEU 71 CO 0.59 -1.14 1.10 -0.83 0.23 0.00 0.00 176.35 176.29 1bqa s GLY 72 N -4.38 1.64 0.34 -3.19 0.00 -1.26 -4.82 107.32 95.64 1bqa s GLY 72 Ca 0.56 0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.51 1bqa s GLY 72 CO 0.41 0.61 1.83 -2.22 0.00 0.00 0.00 173.10 173.72 1bqa h ILE 73 N -1.58 0.77 -0.02 0.90 2.04 -1.97 0.19 117.51 117.83 1bqa h ILE 73 Ca -0.47 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1bqa h ILE 73 Cb 1.27 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1bqa h ILE 73 CO 0.51 0.13 0.00 -0.90 0.00 0.00 0.00 178.15 177.89 1bqa n ASP 74 N -4.63 1.03 0.00 1.72 5.75 -1.26 -4.44 116.55 114.71 1bqa n ASP 74 Ca 0.20 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1bqa n ASP 74 Cb 0.53 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 1.10 -0.99 3.67 6.12 0.00 0.66 -0.97 105.19 114.78 1bqa n GLY 75 Ca 0.20 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 3.84 0.11 -0.61 1.01 -1.26 -4.26 121.20 120.02 1bqa s ILE 76 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.48 1bqa s ILE 76 Cb 0.00 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 1bqa s ILE 76 CO 0.00 -0.06 1.64 -0.65 0.00 0.00 0.00 174.94 175.87 1bqa h PRO 77 N 8.52 -0.43 -0.73 2.79 0.11 -1.98 -1.95 132.00 138.33 1bqa h PRO 77 Ca -0.35 0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.93 1bqa h PRO 77 Cb 1.16 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1bqa h PRO 77 CO 0.94 -0.29 0.49 0.93 -0.21 0.00 0.00 178.00 179.86 1bqa h GLU 78 N -0.45 0.40 -0.73 1.05 3.07 -2.00 0.16 114.58 116.08 1bqa h GLU 78 Ca 0.03 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1bqa h GLU 78 Cb 0.48 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1bqa h GLU 78 CO -0.15 0.26 0.26 0.35 -1.40 0.00 0.00 179.01 178.33 1bqa h PHE 79 N 0.41 1.14 -0.09 4.33 3.57 -1.72 -1.26 116.94 123.31 1bqa h PHE 79 Ca 0.35 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1bqa h PHE 79 Cb 0.80 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1bqa h PHE 79 CO -0.00 0.89 0.02 0.78 -2.23 0.00 0.00 178.31 177.77 1bqa h GLY 80 N 1.06 0.16 1.02 2.40 0.00 -0.22 -1.55 103.07 105.94 1bqa h GLY 80 Ca 0.24 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1bqa h GLY 80 CO -0.01 0.09 0.21 0.07 0.00 0.00 0.00 176.54 176.90 1bqa h ARG 81 N -0.06 1.00 -0.57 4.80 0.11 -1.21 -0.84 114.38 117.62 1bqa h ARG 81 Ca 0.03 -0.21 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 1bqa h ARG 81 Cb 0.25 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.15 1bqa h ARG 81 CO 0.00 0.87 0.15 0.00 0.10 0.00 0.00 179.97 181.10 1bqa h THR 83 N 0.84 1.27 -0.44 0.00 2.02 -0.81 -2.09 112.91 113.69 1bqa h THR 83 Ca 0.19 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 1bqa h THR 83 Cb 0.28 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1bqa h THR 83 CO -0.00 0.45 0.05 1.56 0.37 0.00 0.00 175.52 177.95 1bqa h GLN 84 N 0.89 0.75 -0.56 6.66 4.20 -0.73 -1.52 115.11 124.79 1bqa h GLN 84 Ca 0.14 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1bqa h GLN 84 Cb 0.69 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1bqa h GLN 84 CO 0.05 0.78 0.33 0.93 -0.67 0.00 0.00 178.83 180.25 1bqa h GLU 85 N 0.60 0.77 -0.74 1.46 5.08 -1.27 0.26 114.58 120.75 1bqa h GLU 85 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1bqa h GLU 85 Cb 0.41 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1bqa h GLU 85 CO 0.01 0.57 0.43 1.25 -1.00 0.00 0.00 179.01 180.28 1bqa h LEU 86 N 0.76 0.89 0.06 1.33 5.85 -1.23 1.68 115.31 124.65 1bqa h LEU 86 Ca 0.20 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1bqa h LEU 86 Cb 0.01 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1bqa h LEU 86 CO -0.04 0.70 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.66 1bqa h LEU 87 N 1.02 -0.06 -0.38 2.25 4.07 -0.63 -3.38 115.31 118.19 1bqa h LEU 87 Ca 0.26 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1bqa h LEU 87 Cb -0.02 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1bqa h LEU 87 CO -0.05 0.65 -0.79 0.49 -1.08 0.00 0.00 178.44 177.66 1bqa n PHE 88 N -4.77 0.00 -0.01 1.13 3.72 0.84 -4.73 117.46 113.64 1bqa n PHE 88 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1bqa n PHE 88 Cb 0.31 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 1.47 -2.85 3.78 1.37 0.00 0.57 -4.61 105.19 104.92 1bqa n GLY 89 Ca 0.06 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.58 3.81 0.00 1.61 2.20 -1.25 -3.00 119.74 118.54 1bqa s LYS 90 Ca 0.00 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 1bqa s LYS 90 Cb 0.00 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1bqa s LYS 90 CO 0.00 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1bqa n GLY 91 N 0.20 0.82 3.77 5.54 0.00 -1.26 -5.02 105.19 109.24 1bqa n GLY 91 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.00 6.56 0.38 1.61 0.15 -1.16 -4.87 113.70 113.36 1bqa s SER 92 Ca 0.00 2.84 0.06 0.00 0.70 0.00 0.00 55.95 59.55 1bqa s SER 92 Cb 0.00 -2.65 0.74 0.00 -1.71 0.00 0.00 66.02 62.40 1bqa s SER 92 CO 0.00 -0.72 1.97 0.00 1.20 0.00 0.00 173.24 175.70 1bqa h ALA 93 N 3.60 1.55 -0.61 5.45 0.00 -1.93 -1.20 119.26 126.12 1bqa h ALA 93 Ca -0.49 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.40 1bqa h ALA 93 Cb 1.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1bqa h ALA 93 CO 0.68 0.35 0.41 -0.07 0.00 0.00 0.00 179.25 180.62 1bqa h LEU 94 N 0.52 0.39 0.01 0.00 4.07 -1.95 0.39 115.31 118.74 1bqa h LEU 94 Ca 0.13 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 1bqa h LEU 94 Cb 0.13 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1bqa h LEU 94 CO -0.01 0.24 -0.30 0.40 -1.08 0.00 0.00 178.44 177.69 1bqa h ILE 95 N 0.44 1.60 0.00 1.22 2.04 -1.63 -1.52 117.51 119.66 1bqa h ILE 95 Ca 0.28 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.80 1bqa h ILE 95 Cb 0.52 3.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 1bqa h ILE 95 CO -0.08 0.56 -0.10 0.78 0.00 0.00 0.00 178.15 179.30 1bqa h ASN 96 N -0.97 0.00 -0.26 1.72 2.35 -0.92 -0.71 115.58 116.79 1bqa h ASN 96 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1bqa h ASN 96 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1bqa h ASN 96 CO -0.03 0.10 0.00 0.47 -1.65 0.00 0.00 177.43 176.32 1bqa n ASP 97 N -3.74 2.32 -4.06 5.81 8.00 0.13 -4.95 116.55 120.08 1bqa n ASP 97 Ca -0.02 -1.83 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 1bqa n ASP 97 Cb 0.21 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.76 -3.07 -0.03 -1.24 5.02 -0.27 -4.29 118.16 115.03 1bqa n LYS 98 Ca 0.17 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1bqa n LYS 98 Cb 0.43 -4.59 0.22 0.00 -0.02 0.00 0.00 35.03 31.06 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 -4.42 2.18 -4.71 1.97 1.74 -0.58 -3.71 116.66 109.13 1bqa n ARG 99 Ca -0.21 -1.73 -0.23 0.00 -0.77 0.00 0.00 57.85 54.91 1bqa n ARG 99 Cb 0.64 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.93 1.27 -0.03 7.54 0.00 -1.25 -1.77 121.76 125.59 1bqa s ALA 100 Ca 0.32 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1bqa s ALA 100 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1bqa s ALA 100 CO 0.31 0.31 -0.18 1.03 0.00 0.00 0.00 175.76 177.22 1bqa s ARG 101 N -0.34 1.74 -0.06 0.00 1.81 -0.64 -4.98 118.95 116.47 1bqa s ARG 101 Ca 0.05 -0.65 0.05 0.00 -1.72 0.00 0.00 55.73 53.47 1bqa s ARG 101 Cb -0.06 -1.56 -0.00 0.00 -0.45 0.00 0.00 34.95 32.88 1bqa s ARG 101 CO -0.00 0.31 -0.22 0.99 -0.68 0.00 0.00 175.30 175.70 1bqa s THR 102 N -0.14 1.81 -0.13 0.02 2.01 -1.26 -0.87 115.64 117.07 1bqa s THR 102 Ca 0.00 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1bqa s THR 102 Cb -0.10 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1bqa s THR 102 CO 0.01 0.51 -0.15 0.00 -0.69 0.00 0.00 174.62 174.30 1bqa s ALA 103 N 0.07 2.53 0.08 7.40 0.00 -0.33 -4.87 121.76 126.64 1bqa s ALA 103 Ca -0.08 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 1bqa s ALA 103 Cb -0.14 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 1bqa s ALA 103 CO 0.04 0.20 1.26 -1.14 0.00 0.00 0.00 175.76 176.12 1bqa s GLN 104 N 0.45 4.40 0.23 0.00 0.74 -0.15 -0.71 119.66 124.63 1bqa s GLN 104 Ca -0.11 1.87 0.03 0.00 0.05 0.00 0.00 55.36 57.20 1bqa s GLN 104 Cb -0.16 -3.31 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 1bqa s GLN 104 CO 0.05 -0.32 0.02 0.95 -0.55 0.00 0.00 175.29 175.44 1bqa s THR 105 N 1.07 0.93 -1.17 -0.34 -4.23 -0.25 -4.66 115.64 106.98 1bqa s THR 105 Ca 0.61 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.89 1bqa s THR 105 Cb -0.32 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.13 1bqa s THR 105 CO 0.30 -0.27 1.77 -2.16 -0.54 0.00 0.00 174.62 173.71 1bqa s PRO 106 N -3.90 3.33 0.07 3.99 0.04 -1.26 -1.77 135.00 135.51 1bqa s PRO 106 Ca 0.30 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1bqa s PRO 106 Cb 0.06 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1bqa s PRO 106 CO 0.09 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1bqa n GLY 107 N 5.95 -1.84 0.30 0.56 0.00 -1.08 -2.63 105.19 106.45 1bqa n GLY 107 Ca 0.44 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.22 1.02 1.01 -0.02 0.00 -1.77 -2.47 103.07 100.61 1bqa h GLY 108 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.64 1bqa h GLY 108 CO 0.01 0.64 0.49 -0.84 0.00 0.00 0.00 176.54 176.83 1bqa h THR 109 N 0.89 1.19 -0.53 4.70 2.02 -1.91 -1.34 112.91 117.93 1bqa h THR 109 Ca 0.17 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1bqa h THR 109 Cb 0.46 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1bqa h THR 109 CO 0.02 0.19 0.16 1.23 0.37 0.00 0.00 175.52 177.49 1bqa h GLY 110 N 1.01 0.84 0.95 2.16 0.00 -1.25 -1.50 103.07 105.28 1bqa h GLY 110 Ca 0.27 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1bqa h GLY 110 CO -0.06 0.42 0.18 0.00 0.00 0.00 0.00 176.54 177.09 1bqa h ALA 111 N 1.42 0.56 -0.37 3.60 0.00 -0.89 -1.09 119.26 122.49 1bqa h ALA 111 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bqa h ALA 111 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1bqa h ALA 111 CO -0.01 0.16 0.22 -0.07 0.00 0.00 0.00 179.25 179.55 1bqa h LEU 112 N 0.56 0.37 -0.72 0.00 4.07 -0.78 -1.19 115.31 117.61 1bqa h LEU 112 Ca 0.15 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1bqa h LEU 112 Cb 0.17 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1bqa h LEU 112 CO -0.01 0.27 0.38 -0.09 -1.08 0.00 0.00 178.44 177.90 1bqa h ARG 113 N 0.46 1.02 -0.59 1.13 9.65 -1.09 -0.83 114.38 124.13 1bqa h ARG 113 Ca 0.14 -0.13 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 1bqa h ARG 113 Cb -0.02 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 1bqa h ARG 113 CO -0.05 0.78 0.16 0.28 2.80 0.00 0.00 179.97 183.94 1bqa h VAL 114 N 1.00 1.25 -0.60 0.20 2.07 -0.87 -1.08 116.25 118.21 1bqa h VAL 114 Ca 0.25 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1bqa h VAL 114 Cb 0.07 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1bqa h VAL 114 CO -0.04 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.06 1bqa h ALA 115 N 1.04 0.79 -0.21 1.67 0.00 -0.97 -0.84 119.26 120.74 1bqa h ALA 115 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bqa h ALA 115 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bqa h ALA 115 CO -0.00 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.84 1bqa h ALA 116 N 1.05 0.27 -0.64 0.00 0.00 -0.89 0.63 119.26 119.69 1bqa h ALA 116 Ca 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1bqa h ALA 116 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1bqa h ALA 116 CO -0.00 -0.22 0.23 -0.44 0.00 0.00 0.00 179.25 178.81 1bqa h ASP 117 N 0.25 0.92 -0.18 0.00 3.32 -1.07 -0.67 116.42 118.99 1bqa h ASP 117 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1bqa h ASP 117 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1bqa h ASP 117 CO -0.01 0.86 0.08 0.15 -1.72 0.00 0.00 179.24 178.60 1bqa h PHE 118 N 0.92 0.25 -0.52 4.55 3.57 -0.90 -2.54 116.94 122.27 1bqa h PHE 118 Ca 0.21 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1bqa h PHE 118 Cb 0.26 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1bqa h PHE 118 CO 0.02 0.28 0.18 -0.07 -2.23 0.00 0.00 178.31 176.48 1bqa h LEU 119 N 0.16 0.74 -1.71 0.59 3.38 -0.73 -1.42 115.31 116.32 1bqa h LEU 119 Ca 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1bqa h LEU 119 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bqa h LEU 119 CO -0.01 0.74 -0.09 0.00 0.09 0.00 0.00 178.44 179.17 1bqa h ALA 120 N 1.03 1.76 0.00 1.53 0.00 -1.01 -2.18 119.26 120.39 1bqa h ALA 120 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bqa h ALA 120 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bqa h ALA 120 CO -0.01 0.18 -1.54 1.63 0.00 0.00 0.00 179.25 179.51 1bqa n LYS 121 N -4.39 0.76 0.00 0.00 4.76 -0.97 -4.62 118.16 113.69 1bqa n LYS 121 Ca -0.02 -0.12 0.04 0.00 -2.87 0.00 0.00 58.31 55.34 1bqa n LYS 121 Cb 0.19 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.92 1.43 -3.57 4.39 3.02 -0.55 -5.05 115.26 113.01 1bqa n ASN 122 Ca -0.02 -1.22 -0.20 0.00 -0.03 0.00 0.00 54.58 53.12 1bqa n ASN 122 Cb 0.39 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.60 1bqa n ASN 122 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bqa s THR 123 N -0.72 0.11 -1.94 3.41 -4.23 -0.82 -5.03 115.64 106.42 1bqa s THR 123 Ca 0.08 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.76 1bqa s THR 123 Cb 0.06 -2.47 0.51 0.00 1.34 0.00 0.00 72.50 71.93 1bqa s THR 123 CO 0.11 0.00 1.42 -1.54 -0.54 0.00 0.00 174.62 174.07 1bqa n SER 124 N -1.39 3.10 -4.77 3.99 3.41 -1.26 -4.76 113.62 111.94 1bqa n SER 124 Ca 0.05 -2.03 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 1bqa n SER 124 Cb 0.63 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1bqa n SER 124 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bqa s VAL 125 N -1.28 2.20 0.00 -3.33 1.01 -1.26 -4.87 120.40 112.86 1bqa s VAL 125 Ca 0.38 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1bqa s VAL 125 Cb 0.20 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1bqa s VAL 125 CO 0.25 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.68 1bqa n LYS 126 N 1.17 3.78 -4.30 2.72 4.76 -1.26 -4.77 118.16 120.26 1bqa n LYS 126 Ca 0.03 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.28 1bqa n LYS 126 Cb 0.39 -0.68 -0.13 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.73 0.86 -0.06 1.97 0.52 -1.26 -0.42 118.95 119.83 1bqa s ARG 129 Ca 0.00 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1bqa s ARG 129 Cb 0.00 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.65 1bqa s ARG 129 CO 0.00 0.20 -0.08 0.54 0.02 0.00 0.00 175.30 175.98 1bqa s VAL 133 N -0.90 0.84 -0.21 3.52 0.11 0.20 -2.06 120.40 121.91 1bqa s VAL 133 Ca 0.00 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 58.62 1bqa s VAL 133 Cb -0.08 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1bqa s VAL 133 CO 0.01 0.29 0.27 0.26 -3.33 0.00 0.00 175.10 172.61 1bqa s TRP 134 N 0.82 3.36 0.08 1.54 0.52 0.12 -0.43 118.94 124.95 1bqa s TRP 134 Ca -0.12 0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.51 1bqa s TRP 134 Cb -0.15 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1bqa s TRP 134 CO 0.02 0.07 -0.21 0.14 0.02 0.00 0.00 176.95 176.98 1bqa s VAL 135 N 1.05 1.73 0.78 4.03 -7.23 0.84 -0.73 120.40 120.88 1bqa s VAL 135 Ca 0.13 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1bqa s VAL 135 Cb -0.14 -1.55 0.07 0.00 0.56 0.00 0.00 36.38 35.32 1bqa s VAL 135 CO 0.05 0.04 1.13 -0.94 -0.31 0.00 0.00 175.10 175.07 1bqa s SER 136 N -1.67 4.12 -0.29 4.85 1.04 -1.26 -1.02 113.70 119.47 1bqa s SER 136 Ca 0.07 2.06 -0.00 0.00 0.48 0.00 0.00 55.95 58.56 1bqa s SER 136 Cb -0.10 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.52 1bqa s SER 136 CO 0.04 -2.30 -0.03 0.21 0.98 0.00 0.00 173.24 172.13 1bqa s ASN 137 N -2.79 4.75 0.65 7.02 3.84 -0.00 -2.45 114.94 125.97 1bqa s ASN 137 Ca 0.66 -1.30 0.02 0.00 0.21 0.00 0.00 52.86 52.45 1bqa s ASN 137 Cb -0.22 -1.66 0.10 0.00 -0.55 0.00 0.00 41.25 38.92 1bqa s ASN 137 CO 0.52 -0.24 0.90 -2.16 -2.79 0.00 0.00 177.10 173.33 1bqa s PRO 138 N 1.21 1.98 0.13 0.43 0.04 -1.26 -3.28 135.00 134.25 1bqa s PRO 138 Ca -0.06 -1.16 -0.13 0.00 0.04 0.00 0.00 61.00 59.69 1bqa s PRO 138 Cb -0.20 -2.43 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1bqa s PRO 138 CO -0.02 -1.17 0.33 0.45 0.04 0.00 0.00 177.00 176.62 1bqa s SER 139 N -4.66 -0.08 -0.39 6.66 0.15 -1.03 -4.73 113.70 109.62 1bqa s SER 139 Ca 0.63 -0.54 -0.42 0.00 0.70 0.00 0.00 55.95 56.33 1bqa s SER 139 Cb -0.06 0.44 -0.17 0.00 -1.71 0.00 0.00 66.02 64.51 1bqa s SER 139 CO 0.42 -0.84 1.84 1.87 1.20 0.00 0.00 173.24 177.72 1bqa n TRP 140 N -0.18 1.75 0.06 3.44 -0.00 -1.16 -4.77 117.44 116.57 1bqa n TRP 140 Ca -0.14 0.72 0.21 0.00 -0.00 0.00 0.00 57.50 58.29 1bqa n TRP 140 Cb 0.63 -2.37 0.74 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 7.63 0.00 0.00 5.87 0.11 -1.98 -1.25 132.00 142.38 1bqa h PRO 141 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 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 1.00 0.00 0.00 -0.97 -0.21 0.00 0.00 178.00 177.82 1bqa h ASN 142 N 0.00 0.00 -0.53 -2.05 -1.24 -2.02 -3.10 115.58 106.64 1bqa h ASN 142 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1bqa h ASN 142 Cb 1.06 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.08 1bqa h ASN 142 CO -0.00 0.00 0.34 0.45 -1.29 0.00 0.00 177.43 176.93 1bqa h HIS 143 N 0.00 0.67 -0.11 0.67 3.86 -1.57 -2.25 115.15 116.42 1bqa h HIS 143 Ca 0.00 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1bqa h HIS 143 Cb 0.44 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1bqa h HIS 143 CO 0.00 0.44 -0.05 -0.22 0.86 0.00 0.00 177.93 178.95 1bqa h LYS 144 N 0.71 -0.04 -0.68 2.45 1.63 -1.74 -2.62 116.57 116.29 1bqa h LYS 144 Ca 0.19 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1bqa h LYS 144 Cb -0.06 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1bqa h LYS 144 CO -0.04 -0.03 0.37 0.77 -3.45 0.00 0.00 179.45 177.07 1bqa h SER 145 N -0.04 0.86 0.65 4.20 0.02 -1.66 -0.54 113.55 117.04 1bqa h SER 145 Ca 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1bqa h SER 145 Cb 0.13 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1bqa h SER 145 CO -0.14 0.72 -0.31 0.58 -1.14 0.00 0.00 176.83 176.54 1bqa h VAL 146 N 0.94 0.36 -0.62 2.27 2.07 -1.27 -1.00 116.25 118.99 1bqa h VAL 146 Ca 0.24 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 1bqa h VAL 146 Cb 0.06 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1bqa h VAL 146 CO -0.04 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 177.48 1bqa h PHE 147 N -0.89 1.02 -0.56 1.57 0.04 -1.45 -2.55 116.94 114.12 1bqa h PHE 147 Ca -0.09 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1bqa h PHE 147 Cb 0.67 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1bqa h PHE 147 CO -0.03 0.84 0.28 -0.91 -0.60 0.00 0.00 178.31 177.90 1bqa h ASN 148 N 0.90 0.70 0.15 2.17 -0.26 -1.09 -0.99 115.58 117.16 1bqa h ASN 148 Ca 0.20 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.86 1bqa h ASN 148 Cb 0.31 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1bqa h ASN 148 CO -0.00 0.58 -0.11 0.77 -1.06 0.00 0.00 177.43 177.62 1bqa h SER 149 N 0.78 0.00 0.24 5.81 4.64 -0.75 0.78 113.55 125.05 1bqa h SER 149 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1bqa h SER 149 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1bqa h SER 149 CO -0.03 0.11 -0.13 0.00 -0.87 0.00 0.00 176.83 175.91 1bqa n ALA 150 N -2.44 2.82 -0.79 5.18 0.00 -0.52 -4.90 120.51 119.86 1bqa n ALA 150 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1bqa n ALA 150 Cb 0.19 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.26 0.68 3.90 0.00 0.00 0.27 -4.88 105.19 106.42 1bqa n GLY 151 Ca 0.15 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 4.32 0.13 0.99 1.02 -0.49 -4.99 118.68 119.66 1bqa s LEU 152 Ca 0.00 0.52 -0.23 0.00 0.02 0.00 0.00 54.13 54.44 1bqa s LEU 152 Cb 0.00 -3.03 -0.07 0.00 0.02 0.00 0.00 46.19 43.11 1bqa s LEU 152 CO 0.00 0.14 0.69 -0.70 0.02 0.00 0.00 176.35 176.50 1bqa s GLU 154 N -2.32 4.40 -0.15 1.70 2.12 0.44 -3.80 118.70 121.09 1bqa s GLU 154 Ca 0.35 0.97 0.01 0.00 0.36 0.00 0.00 54.97 56.66 1bqa s GLU 154 Cb -0.13 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 1bqa s GLU 154 CO 0.23 0.60 -0.16 0.08 -0.54 0.00 0.00 175.26 175.46 1bqa s VAL 155 N -1.15 2.62 0.27 3.70 1.01 -1.26 0.62 120.40 126.21 1bqa s VAL 155 Ca 0.33 -0.79 0.12 0.00 0.00 0.00 0.00 61.98 61.64 1bqa s VAL 155 Cb -0.21 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1bqa s VAL 155 CO 0.23 0.52 -0.20 -0.13 0.00 0.00 0.00 175.10 175.52 1bqa s ARG 156 N 0.72 1.64 -0.07 2.72 1.81 0.43 -4.95 118.95 121.25 1bqa s ARG 156 Ca -0.07 -1.73 0.02 0.00 -1.72 0.00 0.00 55.73 52.23 1bqa s ARG 156 Cb -0.16 -1.75 -0.02 0.00 -0.45 0.00 0.00 34.95 32.57 1bqa s ARG 156 CO 0.01 0.33 -0.13 -1.21 -0.68 0.00 0.00 175.30 173.62 1bqa s GLU 157 N -3.41 2.77 0.11 3.54 2.02 -1.25 -0.11 118.70 122.37 1bqa s GLU 157 Ca 0.28 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.65 1bqa s GLU 157 Cb -0.05 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1bqa s GLU 157 CO 0.14 0.51 -0.02 1.52 0.02 0.00 0.00 175.26 177.43 1bqa s TYR 158 N -0.42 2.90 0.51 1.61 -0.85 -0.19 -4.91 117.35 116.00 1bqa s TYR 158 Ca 0.05 -0.08 -0.21 0.00 -0.52 0.00 0.00 57.07 56.31 1bqa s TYR 158 Cb -0.12 -1.48 -0.06 0.00 0.38 0.00 0.00 41.96 40.68 1bqa s TYR 158 CO 0.02 0.48 1.14 0.00 -1.52 0.00 0.00 175.55 175.67 1bqa s ALA 159 N -1.40 2.79 0.41 9.51 0.00 -1.26 -0.82 121.76 130.99 1bqa s ALA 159 Ca 0.25 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1bqa s ALA 159 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1bqa s ALA 159 CO 0.18 -0.73 0.00 0.98 0.00 0.00 0.00 175.76 176.19 1bqa n TYR 160 N -1.01 -3.98 -3.24 0.00 9.36 -1.25 -4.02 117.16 113.02 1bqa n TYR 160 Ca 0.10 1.22 -0.38 0.00 3.32 0.00 0.00 57.90 62.17 1bqa n TYR 160 Cb 0.50 2.86 -0.06 0.00 -0.63 0.00 0.00 39.34 42.01 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 -2.00 3.75 -0.73 2.98 5.04 -1.21 -1.72 117.35 123.46 1bqa s TYR 161 Ca 0.00 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1bqa s TYR 161 Cb 0.00 -2.51 0.18 0.00 0.35 0.00 0.00 41.96 39.98 1bqa s TYR 161 CO 0.00 0.51 0.57 0.34 -1.34 0.00 0.00 175.55 175.63 1bqa s ASP 162 N -1.33 5.50 0.66 4.32 2.15 0.43 -4.81 116.67 123.59 1bqa s ASP 162 Ca 0.34 -3.21 0.24 0.00 0.43 0.00 0.00 52.55 50.35 1bqa s ASP 162 Cb -0.18 -1.87 1.31 0.00 -0.30 0.00 0.00 42.92 41.88 1bqa s ASP 162 CO 0.20 -0.29 1.74 0.00 -0.17 0.00 0.00 175.17 176.64 1bqa h ALA 163 N 6.60 1.46 0.00 3.66 0.00 -1.96 1.12 119.26 130.14 1bqa h ALA 163 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1bqa h ALA 163 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bqa h ALA 163 CO 0.76 -0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.43 1bqa h GLU 164 N 0.00 0.00 -0.02 0.00 5.08 -1.95 -3.37 114.58 114.32 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 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1bqa h GLU 164 CO 0.00 0.64 -0.30 0.09 -1.00 0.00 0.00 179.01 178.44 1bqa n ASN 165 N -4.66 1.84 -3.49 1.42 3.02 -0.83 -4.97 115.26 107.58 1bqa n ASN 165 Ca -0.07 -1.41 -0.20 0.00 -0.03 0.00 0.00 54.58 52.87 1bqa n ASN 165 Cb 0.32 0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.81 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 0.02 -2.15 -3.98 3.10 8.25 0.38 -4.98 115.22 115.86 1bqa n HIS 166 Ca 0.12 0.81 -0.12 0.00 -0.26 0.00 0.00 57.72 58.26 1bqa n HIS 166 Cb 0.44 -4.33 -0.02 0.00 1.12 0.00 0.00 29.99 27.21 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 -3.48 0.00 -0.39 1.59 -1.32 -1.16 -4.95 115.64 105.93 1bqa s THR 167 Ca 0.22 -1.37 -0.26 0.00 -1.21 0.00 0.00 61.69 59.07 1bqa s THR 167 Cb -0.05 -2.72 0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1bqa s THR 167 CO 0.78 0.00 0.96 -0.22 -2.21 0.00 0.00 174.62 173.93 1bqa s LEU 168 N -3.17 3.95 -1.28 9.08 0.20 -1.26 -0.42 118.68 125.78 1bqa s LEU 168 Ca 0.25 0.53 -0.13 0.00 0.69 0.00 0.00 54.13 55.46 1bqa s LEU 168 Cb -0.02 -3.31 0.14 0.00 -0.43 0.00 0.00 46.19 42.57 1bqa s LEU 168 CO 0.17 -0.94 1.71 -0.67 -0.29 0.00 0.00 176.35 176.33 1bqa n ASP 169 N 6.97 4.98 -0.31 3.68 -0.08 -0.70 -4.83 116.55 126.26 1bqa n ASP 169 Ca 0.08 -2.99 0.16 0.00 -1.51 0.00 0.00 54.79 50.53 1bqa n ASP 169 Cb 0.48 -1.59 0.34 0.00 2.34 0.00 0.00 41.12 42.70 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 6.68 0.60 0.36 -0.67 3.57 -1.93 -1.20 116.94 124.35 1bqa h PHE 170 Ca 0.39 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 1bqa h PHE 170 Cb 0.77 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1bqa h PHE 170 CO 1.24 -0.15 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.57 1bqa h ASP 171 N 0.30 -0.40 -0.41 0.41 3.32 -1.98 0.74 116.42 118.41 1bqa h ASP 171 Ca 0.60 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.65 1bqa h ASP 171 Cb 1.23 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 1bqa h ASP 171 CO -0.60 -0.25 0.27 0.00 -1.72 0.00 0.00 179.24 176.93 1bqa h ALA 172 N 0.11 1.77 0.63 3.45 0.00 -1.76 0.68 119.26 124.14 1bqa h ALA 172 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bqa h ALA 172 Cb 0.39 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bqa h ALA 172 CO 0.08 0.19 -0.30 1.25 0.00 0.00 0.00 179.25 180.47 1bqa h LEU 173 N 0.49 -0.71 -0.90 0.00 5.85 -0.75 0.01 115.31 119.30 1bqa h LEU 173 Ca 0.16 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.07 1bqa h LEU 173 Cb 0.03 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 1bqa h LEU 173 CO -0.04 -0.44 0.48 0.40 -0.34 0.00 0.00 178.44 178.51 1bqa h ILE 174 N -0.97 0.68 -0.09 4.05 1.08 -0.61 -1.49 117.51 120.15 1bqa h ILE 174 Ca -0.09 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1bqa h ILE 174 Cb 0.64 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 1bqa h ILE 174 CO 0.14 0.12 0.05 0.78 -0.69 0.00 0.00 178.15 178.54 1bqa h ASN 175 N 0.63 0.12 -0.60 1.72 4.21 -0.75 -2.98 115.58 117.93 1bqa h ASN 175 Ca 0.51 -0.11 -0.08 0.00 1.21 0.00 0.00 56.30 57.83 1bqa h ASN 175 Cb 0.79 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 1bqa h ASN 175 CO -0.39 0.20 0.06 0.77 -1.29 0.00 0.00 177.43 176.77 1bqa h SER 176 N 0.04 1.00 0.29 5.81 4.64 -0.30 -2.60 113.55 122.42 1bqa h SER 176 Ca 0.03 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1bqa h SER 176 Cb 0.11 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1bqa h SER 176 CO -0.00 1.02 0.00 0.18 -0.87 0.00 0.00 176.83 177.15 1bqa n LEU 177 N -4.20 0.00 0.12 5.97 4.77 -0.63 -1.80 117.00 121.24 1bqa n LEU 177 Ca 0.04 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1bqa n LEU 177 Cb 0.31 -0.39 0.44 0.00 -2.33 0.00 0.00 43.42 41.45 1bqa n LEU 177 CO 0.43 -0.25 0.88 0.59 -1.33 0.00 0.00 177.39 177.71 1bqa n ASN 178 N -1.39 0.80 -0.00 -1.43 5.03 -0.98 -2.20 115.26 115.09 1bqa n ASN 178 Ca 0.04 0.62 0.14 0.00 0.87 0.00 0.00 54.58 56.24 1bqa n ASN 178 Cb 0.11 -0.82 0.54 0.00 -1.02 0.00 0.00 39.78 38.59 1bqa n ASN 178 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1bqa n GLU 179 N -2.29 0.00 -2.82 3.52 4.07 -0.74 -4.82 120.64 117.55 1bqa n GLU 179 Ca 0.04 -0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 1bqa n GLU 179 Cb 0.36 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.19 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 -3.00 3.28 0.53 4.31 0.00 -0.94 -5.05 121.76 120.89 1bqa s ALA 180 Ca 0.13 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1bqa s ALA 180 Cb 0.19 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1bqa s ALA 180 CO 0.57 -0.02 0.77 -0.65 0.00 0.00 0.00 175.76 176.43 1bqa s GLN 181 N 0.13 2.81 0.39 0.00 -0.21 -1.26 -5.02 119.66 116.51 1bqa s GLN 181 Ca 0.44 -0.47 -0.26 0.00 0.02 0.00 0.00 55.36 55.09 1bqa s GLN 181 Cb -0.22 -2.45 -0.09 0.00 1.00 0.00 0.00 33.01 31.25 1bqa s GLN 181 CO 0.27 -0.56 1.31 0.00 -2.12 0.00 0.00 175.29 174.19 1bqa s ALA 182 N -2.76 3.30 0.00 6.09 0.00 -1.23 -2.15 121.76 125.01 1bqa s ALA 182 Ca 0.53 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1bqa s ALA 182 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1bqa s ALA 182 CO 0.40 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1bqa n GLY 183 N 0.67 0.97 3.86 0.00 0.00 0.19 -4.99 105.19 105.90 1bqa n GLY 183 Ca 0.03 0.00 -0.32 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 -2.92 6.72 -0.06 1.61 1.01 -0.91 -4.47 116.67 117.65 1bqa s ASP 184 Ca 0.00 1.12 -0.06 0.00 0.71 0.00 0.00 52.55 54.32 1bqa s ASP 184 Cb 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1bqa s ASP 184 CO 0.00 -0.13 0.19 0.68 0.21 0.00 0.00 175.17 176.12 1bqa s VAL 185 N -1.88 5.43 -0.14 -1.27 -7.23 -0.87 -1.41 120.40 113.02 1bqa s VAL 185 Ca 0.50 0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.82 1bqa s VAL 185 Cb -0.11 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.35 1bqa s VAL 185 CO 0.19 0.48 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.56 1bqa s VAL 186 N -1.17 2.01 -0.18 1.32 1.01 -0.28 -0.70 120.40 122.41 1bqa s VAL 186 Ca 0.21 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1bqa s VAL 186 Cb -0.13 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1bqa s VAL 186 CO 0.11 0.54 0.26 -0.22 0.00 0.00 0.00 175.10 175.79 1bqa s LEU 187 N 0.83 4.22 0.06 3.92 0.20 0.09 -0.92 118.68 127.09 1bqa s LEU 187 Ca -0.07 0.43 0.08 0.00 0.69 0.00 0.00 54.13 55.26 1bqa s LEU 187 Cb -0.15 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 1bqa s LEU 187 CO -0.02 0.10 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.56 1bqa s PHE 188 N 0.53 1.96 -0.24 5.38 0.08 -0.41 -4.53 117.98 120.75 1bqa s PHE 188 Ca 0.14 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1bqa s PHE 188 Cb -0.13 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 1bqa s PHE 188 CO 0.03 0.15 0.61 -1.01 -0.10 0.00 0.00 175.22 174.90 1bqa s HIS 189 N -0.90 3.30 0.26 0.36 3.76 -1.26 -0.56 115.29 120.25 1bqa s HIS 189 Ca 0.09 0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 55.80 1bqa s HIS 189 Cb -0.09 -2.81 0.53 0.00 1.11 0.00 0.00 32.58 31.32 1bqa s HIS 189 CO 0.03 -0.29 1.75 0.78 -0.85 0.00 0.00 174.74 176.16 1bqa h GLY 190 N 8.75 1.35 -2.71 -2.22 0.00 -1.66 -3.46 103.07 103.12 1bqa h GLY 190 Ca -0.28 -0.23 0.15 0.00 0.00 0.00 0.00 47.33 46.97 1bqa h GLY 190 CO 0.76 -0.06 0.48 0.00 0.00 0.00 0.00 176.54 177.72 1bqa n HIS 193 N -4.06 0.97 -3.59 0.00 -0.00 -1.26 -4.70 115.22 102.58 1bqa n HIS 193 Ca -0.19 0.98 -0.39 0.00 0.46 0.00 0.00 57.72 58.59 1bqa n HIS 193 Cb 0.64 -2.16 -0.11 0.00 -0.12 0.00 0.00 29.99 28.24 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 0.57 5.86 -0.28 0.26 3.84 -1.26 -0.12 114.94 123.81 1bqa s ASN 194 Ca 0.92 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 53.73 1bqa s ASN 194 Cb -1.24 -2.09 0.45 0.00 -0.55 0.00 0.00 41.25 37.83 1bqa s ASN 194 CO 0.59 -0.17 1.19 0.00 -2.79 0.00 0.00 177.10 175.92 1bqa n ALA 195 N 5.05 4.74 0.02 1.71 0.00 -1.26 -2.99 120.51 127.78 1bqa n ALA 195 Ca -0.13 -3.68 -0.06 0.00 0.00 0.00 0.00 53.44 49.57 1bqa n ALA 195 Cb 0.50 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 2.09 0.97 0.00 0.00 1.35 -1.64 -3.17 112.91 112.51 1bqa h THR 196 Ca 0.30 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1bqa h THR 196 Cb 1.45 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 1bqa h THR 196 CO 0.62 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 177.06 1bqa n GLY 197 N 1.45 0.67 3.55 5.82 0.00 0.83 -4.49 105.19 113.01 1bqa n GLY 197 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.79 5.18 0.23 -0.61 1.01 -1.26 0.52 121.20 123.48 1bqa s ILE 198 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.79 1bqa s ILE 198 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1bqa s ILE 198 CO 0.00 -0.07 -0.01 -1.81 0.00 0.00 0.00 174.94 173.05 1bqa s ASP 199 N 1.73 4.60 0.63 3.58 1.01 -1.26 -4.41 116.67 122.55 1bqa s ASP 199 Ca 0.12 -0.56 -0.11 0.00 0.71 0.00 0.00 52.55 52.70 1bqa s ASP 199 Cb -0.17 -0.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.84 1bqa s ASP 199 CO 0.12 0.04 1.03 -2.84 0.21 0.00 0.00 175.17 173.72 1bqa s PRO 200 N -3.38 3.49 0.72 8.23 0.02 -1.26 -4.99 135.00 137.83 1bqa s PRO 200 Ca 0.30 0.80 -0.10 0.00 0.02 0.00 0.00 61.00 62.01 1bqa s PRO 200 Cb -0.07 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.42 1bqa s PRO 200 CO 0.19 -0.66 1.09 0.95 -0.33 0.00 0.00 177.00 178.24 1bqa s THR 201 N -3.13 2.91 0.26 0.99 -4.23 -1.26 -4.80 115.64 106.39 1bqa s THR 201 Ca 0.56 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1bqa s THR 201 Cb -0.12 -3.27 0.25 0.00 1.34 0.00 0.00 72.50 70.71 1bqa s THR 201 CO 0.53 -0.34 1.83 0.25 -0.54 0.00 0.00 174.62 176.35 1bqa h LEU 202 N -0.71 0.84 -0.90 4.79 6.46 -1.99 0.21 115.31 124.01 1bqa h LEU 202 Ca -0.45 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.25 1bqa h LEU 202 Cb 1.28 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1bqa h LEU 202 CO 0.64 0.47 -0.29 -0.33 -0.62 0.00 0.00 178.44 178.31 1bqa h GLU 203 N 0.93 0.47 -0.19 1.25 5.08 -1.99 -1.17 114.58 118.97 1bqa h GLU 203 Ca 0.45 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 1bqa h GLU 203 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1bqa h GLU 203 CO -0.25 0.72 -0.54 1.96 -1.00 0.00 0.00 179.01 179.90 1bqa h GLN 204 N 0.41 0.55 -0.01 2.33 4.20 -1.45 -2.11 115.11 119.03 1bqa h GLN 204 Ca 0.06 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1bqa h GLN 204 Cb 0.71 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1bqa h GLN 204 CO 0.05 0.94 0.01 -1.49 -0.67 0.00 0.00 178.83 177.68 1bqa h TRP 205 N 0.42 0.02 -0.66 2.96 -0.00 -0.27 -1.72 115.95 116.70 1bqa h TRP 205 Ca 0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.96 1bqa h TRP 205 Cb 1.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 30.19 1bqa h TRP 205 CO 0.04 0.11 0.44 1.96 -0.00 0.00 0.00 178.44 180.99 1bqa h GLN 206 N -0.08 0.66 -0.43 0.49 4.20 -1.15 0.07 115.11 118.87 1bqa h GLN 206 Ca 0.00 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1bqa h GLN 206 Cb 0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1bqa h GLN 206 CO -0.00 0.44 -0.14 1.15 -0.67 0.00 0.00 178.83 179.60 1bqa h THR 207 N 0.68 1.28 -0.32 -0.54 2.02 -1.09 -2.31 112.91 112.62 1bqa h THR 207 Ca 0.28 -1.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.08 1bqa h THR 207 Cb 0.24 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1bqa h THR 207 CO -0.09 0.43 -0.28 -0.07 0.37 0.00 0.00 175.52 175.88 1bqa h LEU 208 N 0.68 0.69 0.30 2.58 3.38 -0.38 -2.07 115.31 120.49 1bqa h LEU 208 Ca 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1bqa h LEU 208 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bqa h LEU 208 CO 0.05 0.93 -0.14 0.00 0.09 0.00 0.00 178.44 179.37 1bqa h ALA 209 N 1.11 -0.40 -0.07 1.53 0.00 -0.89 0.29 119.26 120.83 1bqa h ALA 209 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1bqa h ALA 209 Cb 0.77 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1bqa h ALA 209 CO 0.06 -0.72 -0.13 1.96 0.00 0.00 0.00 179.25 180.42 1bqa h GLN 210 N -0.41 -0.18 -0.60 0.00 4.20 -1.35 -1.69 115.11 115.09 1bqa h GLN 210 Ca -0.04 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1bqa h GLN 210 Cb 0.31 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1bqa h GLN 210 CO 0.07 -0.12 0.34 1.25 -0.67 0.00 0.00 178.83 179.71 1bqa h LEU 211 N -0.18 0.54 -0.27 1.46 5.85 -1.23 -1.90 115.31 119.58 1bqa h LEU 211 Ca 0.07 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1bqa h LEU 211 Cb 0.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1bqa h LEU 211 CO -0.18 0.37 0.02 -1.28 -0.34 0.00 0.00 178.44 177.02 1bqa h SER 212 N 0.67 -0.07 -0.32 1.25 0.87 0.14 -0.95 113.55 115.14 1bqa h SER 212 Ca 0.25 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1bqa h SER 212 Cb 0.09 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1bqa h SER 212 CO -0.13 -0.00 0.18 0.58 -0.53 0.00 0.00 176.83 176.92 1bqa h VAL 213 N 0.10 1.02 -0.58 2.23 2.07 -1.01 -1.93 116.25 118.15 1bqa h VAL 213 Ca 0.13 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1bqa h VAL 213 Cb 0.15 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1bqa h VAL 213 CO -0.20 0.07 0.39 -0.08 0.02 0.00 0.00 177.57 177.77 1bqa h GLU 214 N 0.37 0.70 -0.00 1.57 4.81 -0.97 -2.89 114.58 118.17 1bqa h GLU 214 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1bqa h GLU 214 Cb 0.02 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1bqa h GLU 214 CO -0.07 0.46 -0.45 1.63 -0.73 0.00 0.00 179.01 179.85 1bqa n LYS 215 N -4.46 0.25 -2.84 1.92 4.01 -0.39 -4.98 118.16 111.68 1bqa n LYS 215 Ca 0.06 -0.15 -0.08 0.00 -0.51 0.00 0.00 58.31 57.63 1bqa n LYS 215 Cb 0.10 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.15 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 1.45 0.41 3.91 0.72 0.00 -0.77 -3.54 105.19 107.37 1bqa n GLY 216 Ca 0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.11 3.48 -0.34 1.61 0.51 -1.07 0.56 118.94 120.58 1bqa s TRP 217 Ca 0.18 0.61 -0.07 0.00 -2.12 0.00 0.00 56.10 54.71 1bqa s TRP 217 Cb -0.08 -2.09 0.04 0.00 -0.81 0.00 0.00 33.47 30.53 1bqa s TRP 217 CO 0.25 0.15 0.11 -1.17 -0.51 0.00 0.00 176.95 175.78 1bqa s LEU 218 N -3.68 4.34 0.12 2.99 2.96 -0.50 -4.84 118.68 120.07 1bqa s LEU 218 Ca 0.44 -1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 52.93 1bqa s LEU 218 Cb -0.11 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 1bqa s LEU 218 CO 0.31 -0.33 1.06 -2.84 -1.32 0.00 0.00 176.35 173.23 1bqa s PRO 219 N 1.42 4.60 -0.21 0.98 0.02 -1.26 -1.12 135.00 139.42 1bqa s PRO 219 Ca -0.01 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.62 1bqa s PRO 219 Cb -0.19 -3.34 0.05 0.00 0.02 0.00 0.00 34.50 31.03 1bqa s PRO 219 CO 0.03 0.05 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.50 1bqa s LEU 220 N 0.15 2.38 -0.15 -5.54 0.20 -0.10 -2.23 118.68 113.39 1bqa s LEU 220 Ca 0.50 -1.00 -0.14 0.00 0.69 0.00 0.00 54.13 54.19 1bqa s LEU 220 Cb -0.26 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.25 1bqa s LEU 220 CO 0.31 -0.18 0.31 -0.36 -0.29 0.00 0.00 176.35 176.14 1bqa s PHE 221 N 1.40 3.47 -0.46 5.38 0.40 0.29 -1.29 117.98 127.17 1bqa s PHE 221 Ca -0.03 0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 56.81 1bqa s PHE 221 Cb -0.17 -2.35 0.09 0.00 0.51 0.00 0.00 43.02 41.10 1bqa s PHE 221 CO -0.07 0.24 0.34 0.34 0.70 0.00 0.00 175.22 176.77 1bqa s ASP 222 N 0.44 5.82 -0.78 1.36 -1.08 0.28 -0.31 116.67 122.39 1bqa s ASP 222 Ca 0.17 -1.60 -0.02 0.00 -0.52 0.00 0.00 52.55 50.58 1bqa s ASP 222 Cb -0.13 -2.06 0.19 0.00 -1.46 0.00 0.00 42.92 39.46 1bqa s ASP 222 CO 0.04 -0.64 0.63 0.12 0.52 0.00 0.00 175.17 175.85 1bqa s PHE 223 N 1.47 3.68 -1.40 -5.34 5.36 -0.40 -1.58 117.98 119.77 1bqa s PHE 223 Ca 0.04 -2.91 0.18 0.00 -0.96 0.00 0.00 56.93 53.28 1bqa s PHE 223 Cb -0.25 -3.20 -0.07 0.00 -0.34 0.00 0.00 43.02 39.16 1bqa s PHE 223 CO 0.02 -0.77 0.88 0.00 -1.46 0.00 0.00 175.22 173.89 1bqa n ALA 224 N 2.77 3.68 -2.12 11.12 0.00 -1.26 -2.03 120.51 132.67 1bqa n ALA 224 Ca 0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 1bqa n ALA 224 Cb 0.37 -0.65 0.09 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.55 0.80 -1.69 0.00 4.01 -1.26 -4.66 117.16 113.80 1bqa n TYR 225 Ca 0.06 -1.50 -0.44 0.00 -0.16 0.00 0.00 57.90 55.86 1bqa n TYR 225 Cb 0.35 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.53 2.49 -0.00 -0.72 7.27 -1.26 -1.22 117.38 123.40 1bqa n GLN 226 Ca 0.19 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.16 1bqa n GLN 226 Cb 0.89 -2.73 0.00 0.00 2.41 0.00 0.00 30.24 30.81 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 3.87 0.14 0.06 1.69 0.00 -1.25 -4.78 105.19 104.92 1bqa n GLY 227 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.00 0.48 -0.02 1.61 3.72 -0.36 -4.37 117.46 116.51 1bqa n PHE 228 Ca 0.00 0.14 -0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1bqa n PHE 228 Cb 0.00 -0.61 -0.01 0.00 -0.94 0.00 0.00 39.48 37.92 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 -1.93 0.16 0.00 4.37 0.00 -1.26 -4.12 120.51 117.72 1bqa n ALA 229 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1bqa n ALA 229 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.99 0.82 0.00 0.00 1.74 -1.26 -4.90 116.66 110.07 1bqa n ARG 230 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1bqa n ARG 230 Cb 0.09 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 2.99 0.10 0.42 -0.13 0.00 -1.26 -4.94 105.19 102.37 1bqa n GLY 231 Ca 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.21 0.05 0.99 4.07 -1.90 -1.24 115.31 116.07 1bqa h LEU 233 Ca 0.00 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1bqa h LEU 233 Cb 0.00 0.41 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1bqa h LEU 233 CO 0.00 -0.56 -0.03 -0.33 -1.08 0.00 0.00 178.44 176.45 1bqa h GLU 234 N -0.83 -0.07 -0.60 1.13 4.39 -1.96 -3.22 114.58 113.42 1bqa h GLU 234 Ca -0.05 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.77 1bqa h GLU 234 Cb 0.73 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 1bqa h GLU 234 CO -0.08 0.20 0.10 0.93 -1.16 0.00 0.00 179.01 179.00 1bqa h GLU 235 N -0.34 0.21 0.00 2.33 3.07 -1.92 -0.61 114.58 117.32 1bqa h GLU 235 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1bqa h GLU 235 Cb 0.30 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1bqa h GLU 235 CO 0.01 0.14 0.00 -0.44 -1.40 0.00 0.00 179.01 177.32 1bqa h ASP 236 N 0.22 0.00 0.16 1.42 5.19 -1.23 -2.46 116.42 119.72 1bqa h ASP 236 Ca 0.32 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1bqa h ASP 236 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1bqa h ASP 236 CO -0.43 0.00 -0.33 0.00 -3.12 0.00 0.00 179.24 175.35 1bqa n ALA 237 N -1.94 3.25 -0.21 3.45 0.00 -0.24 -4.52 120.51 120.29 1bqa n ALA 237 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1bqa n ALA 237 Cb 0.12 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 1.55 -0.01 0.56 0.00 5.08 -1.42 0.10 114.58 120.44 1bqa h GLU 238 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1bqa h GLU 238 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1bqa h GLU 238 CO 0.00 -0.01 -0.46 0.78 -1.00 0.00 0.00 179.01 178.33 1bqa h GLY 239 N -0.01 -1.16 0.25 -3.84 0.00 -1.83 0.18 103.07 96.65 1bqa h GLY 239 Ca 0.30 0.52 0.12 0.00 0.00 0.00 0.00 47.33 48.27 1bqa h GLY 239 CO -0.65 -0.38 0.25 -2.00 0.00 0.00 0.00 176.54 173.76 1bqa h LEU 240 N -1.00 0.22 -1.52 3.11 5.85 -1.77 0.18 115.31 120.38 1bqa h LEU 240 Ca -0.07 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1bqa h LEU 240 Cb 0.84 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1bqa h LEU 240 CO -0.00 0.10 -0.25 0.03 -0.34 0.00 0.00 178.44 177.98 1bqa h ARG 241 N 0.41 0.00 -0.26 1.25 -0.00 -0.49 -0.40 114.38 114.88 1bqa h ARG 241 Ca 0.36 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.72 1bqa h ARG 241 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.46 1bqa h ARG 241 CO -0.37 0.25 -0.35 0.00 0.00 0.00 0.00 179.97 179.50 1bqa h ALA 242 N 1.75 0.91 -0.03 0.04 0.00 0.24 -2.58 119.26 119.60 1bqa h ALA 242 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1bqa h ALA 242 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bqa h ALA 242 CO 0.03 0.62 -0.20 0.74 0.00 0.00 0.00 179.25 180.44 1bqa h PHE 243 N 0.48 0.26 -0.78 0.00 -1.00 -0.44 -3.29 116.94 112.17 1bqa h PHE 243 Ca 0.05 -0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.85 1bqa h PHE 243 Cb 0.83 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.30 1bqa h PHE 243 CO 0.03 0.85 0.52 0.00 -1.61 0.00 0.00 178.31 178.10 1bqa h ALA 244 N 0.35 2.03 0.00 2.45 0.00 -1.06 0.10 119.26 123.13 1bqa h ALA 244 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bqa h ALA 244 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bqa h ALA 244 CO 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1bqa n ALA 245 N -2.50 1.84 0.01 0.00 0.00 -0.98 -3.57 120.51 115.32 1bqa n ALA 245 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1bqa n ALA 245 Cb 0.50 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.73 0.59 -4.00 0.00 2.00 0.20 -5.06 117.12 109.12 1bqa n MET 246 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 57.70 57.46 1bqa n MET 246 Cb 0.24 -1.05 -0.04 0.00 0.00 0.00 0.00 33.22 32.37 1bqa n MET 246 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1bqa s HIS 247 N -2.17 3.35 -0.14 2.03 3.76 -0.27 -4.98 115.29 116.87 1bqa s HIS 247 Ca -0.01 0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1bqa s HIS 247 Cb 0.02 -1.59 -0.25 0.00 1.11 0.00 0.00 32.58 31.87 1bqa s HIS 247 CO 0.15 0.51 0.29 1.63 -0.85 0.00 0.00 174.74 176.47 1bqa n LYS 248 N -0.60 0.74 -5.18 1.40 4.76 -1.26 -4.89 118.16 113.14 1bqa n LYS 248 Ca -0.08 0.25 -0.31 0.00 -2.87 0.00 0.00 58.31 55.30 1bqa n LYS 248 Cb 0.55 -1.68 -0.15 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.55 2.06 0.05 1.97 2.02 -1.26 -2.21 118.70 118.78 1bqa s GLU 249 Ca -0.24 -0.96 -0.27 0.00 0.02 0.00 0.00 54.97 53.53 1bqa s GLU 249 Cb 0.07 -2.05 0.08 0.00 0.10 0.00 0.00 34.13 32.32 1bqa s GLU 249 CO 0.75 0.55 0.68 -1.17 0.02 0.00 0.00 175.26 176.09 1bqa s LEU 250 N -0.78 -0.57 -0.04 1.80 0.20 -0.56 -4.61 118.68 114.12 1bqa s LEU 250 Ca 0.11 0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.21 1bqa s LEU 250 Cb -0.10 2.48 0.02 0.00 -0.43 0.00 0.00 46.19 48.16 1bqa s LEU 250 CO -0.00 -0.78 -0.05 -0.63 -0.29 0.00 0.00 176.35 174.60 1bqa s ILE 251 N -2.65 0.55 -0.11 6.68 1.01 -0.95 -0.33 121.20 125.40 1bqa s ILE 251 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1bqa s ILE 251 Cb -0.01 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1bqa s ILE 251 CO -0.04 0.21 -0.15 -0.69 0.00 0.00 0.00 174.94 174.28 1bqa s VAL 252 N 0.69 1.47 -0.43 2.92 1.01 0.40 -0.55 120.40 125.91 1bqa s VAL 252 Ca -0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1bqa s VAL 252 Cb -0.12 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 35.02 1bqa s VAL 252 CO 0.00 0.43 0.26 0.00 0.00 0.00 0.00 175.10 175.79 1bqa s ALA 253 N 1.02 3.24 0.20 5.51 0.00 0.57 0.33 121.76 132.64 1bqa s ALA 253 Ca -0.06 -2.54 0.05 0.00 0.00 0.00 0.00 51.96 49.41 1bqa s ALA 253 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1bqa s ALA 253 CO -0.02 -1.84 0.23 -1.54 0.00 0.00 0.00 175.76 172.59 1bqa s SER 254 N 2.12 5.85 0.01 0.00 1.04 -0.04 -1.27 113.70 121.41 1bqa s SER 254 Ca 0.07 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1bqa s SER 254 Cb -0.24 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.26 1bqa s SER 254 CO -0.03 0.01 -0.06 -0.55 0.98 0.00 0.00 173.24 173.59 1bqa s SER 255 N -3.51 0.71 -0.01 7.02 0.15 -0.86 -1.13 113.70 116.07 1bqa s SER 255 Ca 0.33 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 56.81 1bqa s SER 255 Cb -0.09 -0.03 0.25 0.00 -1.71 0.00 0.00 66.02 64.43 1bqa s SER 255 CO 0.26 -0.03 1.21 -1.22 1.20 0.00 0.00 173.24 174.66 1bqa n TYR 256 N 2.44 0.38 0.00 3.44 4.01 -0.33 -4.71 117.16 122.40 1bqa n TYR 256 Ca -0.16 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 1bqa n TYR 256 Cb 0.57 -0.05 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 0.22 0.00 0.00 7.72 7.64 -1.25 -2.50 113.62 125.45 1bqa n SER 257 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1bqa n SER 257 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.88 0.00 -0.06 6.43 0.23 -1.26 -1.33 115.26 118.38 1bqa n ASN 259 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 1bqa n ASN 259 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 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 -3.00 -2.53 3.01 -1.04 -4.82 117.46 109.07 1bqa n PHE 260 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1bqa n PHE 260 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.23 -0.51 1.97 1.37 0.00 -1.05 -4.67 105.19 102.53 1bqa n GLY 261 Ca 0.01 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.79 6.10 -0.09 0.99 4.77 -0.44 -4.82 117.00 119.71 1bqa n LEU 262 Ca -0.11 -3.54 -0.02 0.00 -0.03 0.00 0.00 56.01 52.31 1bqa n LEU 262 Cb 0.61 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1bqa n LEU 262 CO 0.45 1.02 0.24 -1.22 -1.33 0.00 0.00 177.39 176.54 1bqa n TYR 263 N -0.90 -0.10 1.00 -1.77 4.01 -1.06 -1.09 117.16 117.25 1bqa n TYR 263 Ca 0.50 0.28 0.11 0.00 -0.16 0.00 0.00 57.90 58.63 1bqa n TYR 263 Cb 1.49 -0.38 0.54 0.00 -0.31 0.00 0.00 39.34 40.68 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 -3.47 0.00 -0.26 7.72 0.23 -1.26 -3.04 115.26 115.17 1bqa n ASN 264 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.19 1bqa n ASN 264 Cb 0.06 -0.30 0.41 0.00 -2.08 0.00 0.00 39.78 37.87 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 -1.30 0.92 -3.19 -3.83 -0.58 -0.25 -5.00 120.64 107.42 1bqa n GLU 265 Ca 0.10 -0.53 -0.12 0.00 -0.42 0.00 0.00 57.16 56.19 1bqa n GLU 265 Cb 0.18 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.58 -1.75 -4.01 3.49 5.12 -1.17 -4.50 116.66 113.25 1bqa n ARG 266 Ca 0.13 1.54 -0.33 0.00 -1.93 0.00 0.00 57.85 57.25 1bqa n ARG 266 Cb 0.34 -4.61 -0.15 0.00 -1.16 0.00 0.00 32.46 26.89 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 -2.68 2.54 0.32 1.55 1.01 -1.26 -2.64 120.40 119.24 1bqa s VAL 267 Ca 0.12 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1bqa s VAL 267 Cb -0.03 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1bqa s VAL 267 CO 0.80 0.12 0.58 0.61 0.00 0.00 0.00 175.10 177.21 1bqa n GLY 268 N 4.57 1.53 3.33 4.51 0.00 -0.73 -1.18 105.19 117.23 1bqa n GLY 268 Ca -0.16 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 1bqa n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqa s ALA 269 N -2.15 -1.11 -0.25 4.61 0.00 -0.29 -1.09 121.76 121.49 1bqa s ALA 269 Ca 0.17 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1bqa s ALA 269 Cb -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1bqa s ALA 269 CO 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 175.76 175.51 1bqa s THR 271 N 1.24 4.34 -0.17 0.00 2.01 0.15 -1.18 115.64 122.03 1bqa s THR 271 Ca -0.02 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1bqa s THR 271 Cb -0.17 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1bqa s THR 271 CO -0.06 0.42 0.07 -0.22 -0.69 0.00 0.00 174.62 174.14 1bqa s LEU 272 N 0.85 3.86 -0.07 4.42 0.20 -0.05 -0.45 118.68 127.43 1bqa s LEU 272 Ca 0.02 0.13 0.03 0.00 0.69 0.00 0.00 54.13 55.01 1bqa s LEU 272 Cb -0.14 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 1bqa s LEU 272 CO 0.02 0.22 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.44 1bqa s VAL 273 N 0.09 1.52 0.41 1.68 1.01 0.55 -1.63 120.40 124.04 1bqa s VAL 273 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1bqa s VAL 273 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1bqa s VAL 273 CO 0.01 0.44 0.10 0.00 0.00 0.00 0.00 175.10 175.65 1bqa s ALA 274 N 0.41 3.03 0.33 5.51 0.00 -0.73 -1.49 121.76 128.82 1bqa s ALA 274 Ca -0.14 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.67 1bqa s ALA 274 Cb -0.16 0.64 0.59 0.00 0.00 0.00 0.00 23.12 24.19 1bqa s ALA 274 CO 0.05 -0.29 1.81 0.00 0.00 0.00 0.00 175.76 177.33 1bqa h ALA 275 N 1.76 1.29 -2.83 0.00 0.00 -1.76 -3.43 119.26 114.30 1bqa h ALA 275 Ca -0.37 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1bqa h ALA 275 Cb 1.28 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1bqa h ALA 275 CO 0.61 0.47 -0.15 0.16 0.00 0.00 0.00 179.25 180.34 1bqa s ASP 276 N -6.84 0.00 0.11 0.00 1.47 -1.26 -4.99 116.67 105.17 1bqa s ASP 276 Ca -0.06 -1.01 -0.26 0.00 1.18 0.00 0.00 52.55 52.41 1bqa s ASP 276 Cb 0.14 0.58 -0.07 0.00 -0.34 0.00 0.00 42.92 43.24 1bqa s ASP 276 CO 0.76 -1.14 1.65 -1.28 0.68 0.00 0.00 175.17 175.84 1bqa h SER 277 N 2.26 -0.62 -0.44 2.11 0.87 -1.75 -0.70 113.55 115.29 1bqa h SER 277 Ca -0.27 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.45 1bqa h SER 277 Cb 1.25 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.38 1bqa h SER 277 CO 0.37 -0.29 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.29 1bqa h GLU 278 N -0.37 0.09 -0.08 2.24 4.22 -1.96 0.25 114.58 118.97 1bqa h GLU 278 Ca 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 1bqa h GLU 278 Cb 0.42 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1bqa h GLU 278 CO -0.16 0.06 0.03 1.15 -2.18 0.00 0.00 179.01 177.92 1bqa h THR 279 N 0.10 1.14 -0.75 0.32 2.02 -1.93 -1.80 112.91 112.01 1bqa h THR 279 Ca 0.22 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1bqa h THR 279 Cb 0.32 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1bqa h THR 279 CO -0.37 0.12 0.44 1.62 0.37 0.00 0.00 175.52 177.70 1bqa h VAL 280 N -0.02 1.21 -0.13 3.16 3.04 -0.74 0.52 116.25 123.29 1bqa h VAL 280 Ca 0.03 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1bqa h VAL 280 Cb 0.16 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 1bqa h VAL 280 CO -0.00 0.23 0.08 0.44 -1.01 0.00 0.00 177.57 177.31 1bqa h ASP 281 N 1.02 0.15 -0.84 3.17 3.32 -0.87 0.55 116.42 122.93 1bqa h ASP 281 Ca 0.27 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1bqa h ASP 281 Cb -0.02 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1bqa h ASP 281 CO -0.05 0.14 0.46 -0.09 -1.72 0.00 0.00 179.24 177.97 1bqa h ARG 282 N 0.16 1.19 -0.17 3.56 2.43 -1.06 -2.10 114.38 118.40 1bqa h ARG 282 Ca 0.05 -0.14 -0.19 0.00 -0.81 0.00 0.00 59.98 58.89 1bqa h ARG 282 Cb 0.01 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1bqa h ARG 282 CO -0.01 0.88 -0.66 0.00 -1.51 0.00 0.00 179.97 178.67 1bqa h ALA 283 N 1.31 0.53 -0.69 2.80 0.00 -0.46 -3.19 119.26 119.56 1bqa h ALA 283 Ca 0.30 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1bqa h ALA 283 Cb 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1bqa h ALA 283 CO -0.05 0.70 0.38 0.35 0.00 0.00 0.00 179.25 180.64 1bqa h PHE 284 N 0.46 0.92 -0.91 0.00 3.57 0.48 -2.55 116.94 118.92 1bqa h PHE 284 Ca -0.02 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1bqa h PHE 284 Cb 1.24 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1bqa h PHE 284 CO 0.06 0.64 0.59 0.66 -2.23 0.00 0.00 178.31 178.03 1bqa h SER 285 N 0.96 0.81 1.24 0.41 4.64 -1.38 0.13 113.55 120.36 1bqa h SER 285 Ca 0.24 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1bqa h SER 285 Cb 0.02 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1bqa h SER 285 CO -0.04 0.47 -0.38 1.56 -0.87 0.00 0.00 176.83 177.56 1bqa h GLN 286 N 0.89 0.00 -0.26 4.77 1.08 -1.56 -1.85 115.11 118.18 1bqa h GLN 286 Ca 0.43 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.44 1bqa h GLN 286 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1bqa h GLN 286 CO -0.19 0.38 -0.59 1.98 -0.95 0.00 0.00 178.83 179.46 1bqa h MET 287 N 0.00 0.84 -0.73 1.46 4.05 -0.66 -2.09 114.93 117.80 1bqa h MET 287 Ca -0.00 -0.56 -0.06 0.00 -0.28 0.00 0.00 59.70 58.79 1bqa h MET 287 Cb 1.11 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1bqa h MET 287 CO 0.05 1.19 0.22 0.87 0.23 0.00 0.00 176.91 179.47 1bqa h LYS 288 N 0.63 1.14 -1.01 0.39 1.57 -0.77 -1.71 116.57 116.82 1bqa h LYS 288 Ca 0.00 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1bqa h LYS 288 Cb 1.20 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 1bqa h LYS 288 CO 0.13 0.98 0.66 0.00 -0.57 0.00 0.00 179.45 180.65 1bqa h ALA 289 N 1.14 1.34 -0.38 3.86 0.00 -1.14 0.58 119.26 124.65 1bqa h ALA 289 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1bqa h ALA 289 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bqa h ALA 289 CO -0.01 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.84 1bqa h ALA 290 N 1.41 1.35 -0.06 0.00 0.00 -0.63 -2.53 119.26 118.79 1bqa h ALA 290 Ca 0.40 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1bqa h ALA 290 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1bqa h ALA 290 CO -0.13 0.45 -0.19 0.82 0.00 0.00 0.00 179.25 180.21 1bqa h ILE 291 N 0.56 1.44 -0.85 0.00 2.04 -0.32 -3.04 117.51 117.34 1bqa h ILE 291 Ca 0.12 -1.59 0.16 0.00 1.00 0.00 0.00 64.86 64.55 1bqa h ILE 291 Cb 0.31 2.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 1bqa h ILE 291 CO 0.01 0.44 0.56 -0.09 0.00 0.00 0.00 178.15 179.07 1bqa h ARG 292 N -0.28 0.53 -0.00 2.37 2.43 -0.82 0.24 114.38 118.85 1bqa h ARG 292 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bqa h ARG 292 Cb 0.82 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1bqa h ARG 292 CO 0.04 0.35 -0.04 0.00 -1.51 0.00 0.00 179.97 178.81 1bqa n ALA 293 N -2.48 2.54 -0.94 2.80 0.00 -0.97 -3.64 120.51 117.83 1bqa n ALA 293 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1bqa n ALA 293 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.29 0.00 -0.16 0.00 2.85 0.78 -4.91 115.26 112.53 1bqa n ASN 294 Ca 0.12 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.61 1bqa n ASN 294 Cb 0.27 -0.03 0.03 0.00 1.24 0.00 0.00 39.78 41.30 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 -1.48 0.06 0.00 1.20 0.18 -0.95 -5.03 117.16 111.15 1bqa n TYR 295 Ca 0.00 -0.22 0.00 0.00 1.88 0.00 0.00 57.90 59.56 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 0.02 0.00 -3.50 9.48 2.88 -0.84 -4.76 113.62 116.91 1bqa n SER 296 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1bqa n SER 296 Cb 0.18 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.50 0.50 -3.46 2.20 -1.26 -4.25 114.94 108.17 1bqa s ASN 297 Ca 0.00 0.07 -0.09 0.00 -0.94 0.00 0.00 52.86 51.90 1bqa s ASN 297 Cb 0.00 0.55 -0.05 0.00 -2.00 0.00 0.00 41.25 39.75 1bqa s ASN 297 CO 0.00 -0.86 0.87 -2.16 -2.94 0.00 0.00 177.10 172.01 1bqa s PRO 298 N -3.19 3.66 -0.06 3.55 0.04 -1.26 -5.04 135.00 132.70 1bqa s PRO 298 Ca -0.01 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1bqa s PRO 298 Cb -0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1bqa s PRO 298 CO -0.08 -0.27 1.34 -1.25 0.04 0.00 0.00 177.00 176.78 1bqa s PRO 299 N -4.56 4.28 0.01 0.56 0.04 -1.26 -4.77 135.00 129.29 1bqa s PRO 299 Ca 0.52 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 1bqa s PRO 299 Cb -0.10 -3.66 -0.17 0.00 0.04 0.00 0.00 34.50 30.60 1bqa s PRO 299 CO 0.42 -0.60 1.33 0.00 0.04 0.00 0.00 177.00 178.19 1bqa h ALA 300 N 8.01 0.11 -0.18 8.56 0.00 -1.96 -3.38 119.26 130.43 1bqa h ALA 300 Ca -0.34 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.31 1bqa h ALA 300 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1bqa h ALA 300 CO 0.92 -0.09 -0.10 1.58 0.00 0.00 0.00 179.25 181.56 1bqa n HIS 301 N -4.72 -0.08 -0.18 0.00 -0.00 -1.26 0.13 115.22 109.11 1bqa n HIS 301 Ca -0.07 0.22 -0.01 0.00 -0.00 0.00 0.00 57.72 57.86 1bqa n HIS 301 Cb 0.29 -0.47 0.08 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.69 1.73 1.57 0.00 -1.79 -1.53 103.07 103.74 1bqa h GLY 302 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1bqa h GLY 302 CO -0.17 -0.07 -0.48 0.00 0.00 0.00 0.00 176.54 175.82 1bqa h ALA 303 N 1.41 0.97 -0.74 3.60 0.00 -1.60 -2.46 119.26 120.44 1bqa h ALA 303 Ca 0.27 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1bqa h ALA 303 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1bqa h ALA 303 CO -0.34 0.65 0.33 0.77 0.00 0.00 0.00 179.25 180.66 1bqa h SER 304 N 0.23 1.00 -0.34 0.00 0.02 0.34 -1.15 113.55 113.65 1bqa h SER 304 Ca 0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1bqa h SER 304 Cb 0.94 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1bqa h SER 304 CO 0.08 0.87 0.18 0.58 -1.14 0.00 0.00 176.83 177.40 1bqa h VAL 305 N 1.05 1.15 -0.52 2.27 2.07 -1.08 -1.25 116.25 119.94 1bqa h VAL 305 Ca 0.25 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1bqa h VAL 305 Cb 0.17 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1bqa h VAL 305 CO -0.03 0.15 0.27 0.58 0.02 0.00 0.00 177.57 178.57 1bqa h VAL 306 N 0.42 1.19 -0.68 2.57 2.07 -1.10 -2.18 116.25 118.54 1bqa h VAL 306 Ca 0.12 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1bqa h VAL 306 Cb 0.08 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1bqa h VAL 306 CO -0.02 0.21 0.16 0.00 0.02 0.00 0.00 177.57 177.93 1bqa h ALA 307 N 1.11 0.89 -0.30 1.67 0.00 -1.08 -1.17 119.26 120.38 1bqa h ALA 307 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bqa h ALA 307 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1bqa h ALA 307 CO -0.03 0.62 0.14 1.15 0.00 0.00 0.00 179.25 181.13 1bqa h THR 308 N 1.02 1.17 0.17 0.00 2.02 -1.07 -2.16 112.91 114.06 1bqa h THR 308 Ca 0.21 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1bqa h THR 308 Cb 0.38 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1bqa h THR 308 CO 0.00 0.17 -0.08 0.40 0.37 0.00 0.00 175.52 176.38 1bqa h ILE 309 N 0.35 0.93 0.00 3.11 2.04 -1.29 -2.87 117.51 119.78 1bqa h ILE 309 Ca 0.10 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1bqa h ILE 309 Cb 0.15 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1bqa h ILE 309 CO -0.01 0.13 -0.05 -0.07 0.00 0.00 0.00 178.15 178.14 1bqa h LEU 310 N -0.50 0.00 -1.72 1.44 3.38 -1.22 -2.51 115.31 114.18 1bqa h LEU 310 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1bqa h LEU 310 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1bqa h LEU 310 CO 0.04 0.05 -0.04 -1.54 0.09 0.00 0.00 178.44 177.05 1bqa n SER 311 N -3.46 2.72 -4.18 -0.43 3.41 -0.82 -4.84 113.62 106.02 1bqa n SER 311 Ca -0.02 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.36 1bqa n SER 311 Cb 0.18 0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.04 4.21 0.20 4.04 3.84 -0.96 -5.01 114.94 119.22 1bqa s ASN 312 Ca 0.29 -0.89 -0.16 0.00 0.21 0.00 0.00 52.86 52.31 1bqa s ASN 312 Cb 0.20 -1.64 0.20 0.00 -0.55 0.00 0.00 41.25 39.46 1bqa s ASN 312 CO 0.33 -0.12 1.61 0.44 -2.79 0.00 0.00 177.10 176.57 1bqa h ASP 313 N 7.98 -0.78 0.59 -4.21 3.32 -1.88 0.32 116.42 121.76 1bqa h ASP 313 Ca -0.33 0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1bqa h ASP 313 Cb 1.11 0.45 0.01 0.00 0.22 0.00 0.00 39.33 41.11 1bqa h ASP 313 CO 0.57 -0.25 -0.29 0.00 -1.72 0.00 0.00 179.24 177.56 1bqa h ALA 314 N 1.41 -0.79 -0.73 3.45 0.00 -1.95 -1.38 119.26 119.27 1bqa h ALA 314 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1bqa h ALA 314 Cb 0.50 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1bqa h ALA 314 CO -0.66 -0.95 0.35 -0.07 0.00 0.00 0.00 179.25 177.92 1bqa h LEU 315 N -0.79 0.94 -0.74 0.00 3.38 -1.74 -2.37 115.31 113.99 1bqa h LEU 315 Ca -0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1bqa h LEU 315 Cb 0.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1bqa h LEU 315 CO 0.13 0.80 0.35 -0.09 0.09 0.00 0.00 178.44 179.71 1bqa h ARG 316 N 1.03 1.07 0.14 1.13 2.43 -0.22 -0.63 114.38 119.34 1bqa h ARG 316 Ca 0.25 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1bqa h ARG 316 Cb 0.11 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1bqa h ARG 316 CO -0.03 0.85 -0.19 0.00 -1.51 0.00 0.00 179.97 179.08 1bqa h ALA 317 N 1.17 -0.35 -0.44 2.80 0.00 -0.76 -0.02 119.26 121.67 1bqa h ALA 317 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1bqa h ALA 317 Cb 0.13 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1bqa h ALA 317 CO -0.03 -0.73 0.12 0.82 0.00 0.00 0.00 179.25 179.43 1bqa h ILE 318 N -0.39 0.81 -0.47 0.00 2.04 -1.16 -2.22 117.51 116.13 1bqa h ILE 318 Ca 0.02 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1bqa h ILE 318 Cb 0.39 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1bqa h ILE 318 CO -0.08 0.05 0.28 -0.25 0.00 0.00 0.00 178.15 178.14 1bqa h TRP 319 N 0.27 0.64 -0.99 1.37 7.01 -0.70 -1.34 115.95 122.20 1bqa h TRP 319 Ca 0.21 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.28 1bqa h TRP 319 Cb 0.23 -0.21 -0.07 0.00 -2.10 0.00 0.00 29.16 27.02 1bqa h TRP 319 CO -0.18 0.46 0.63 0.93 -2.79 0.00 0.00 178.44 177.49 1bqa h GLU 320 N 0.63 1.08 -0.53 2.65 5.08 -0.64 0.16 114.58 123.02 1bqa h GLU 320 Ca 0.17 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1bqa h GLU 320 Cb 0.02 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1bqa h GLU 320 CO -0.03 0.71 -0.02 0.37 -1.00 0.00 0.00 179.01 179.04 1bqa h GLN 321 N 1.11 0.95 -0.53 2.33 5.75 -0.93 -0.20 115.11 123.59 1bqa h GLN 321 Ca 0.44 -0.31 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1bqa h GLN 321 Cb 0.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1bqa h GLN 321 CO -0.20 0.97 0.12 0.93 -2.65 0.00 0.00 178.83 178.01 1bqa h GLU 322 N 0.82 0.81 -0.38 1.69 5.08 -0.12 -0.27 114.58 122.20 1bqa h GLU 322 Ca 0.15 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1bqa h GLU 322 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1bqa h GLU 322 CO 0.03 0.73 -0.06 1.25 -1.00 0.00 0.00 179.01 179.97 1bqa h LEU 323 N 0.78 0.71 -0.74 1.33 5.85 -0.35 -2.28 115.31 120.60 1bqa h LEU 323 Ca 0.17 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1bqa h LEU 323 Cb 0.29 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1bqa h LEU 323 CO -0.00 0.89 0.48 0.74 -0.34 0.00 0.00 178.44 180.20 1bqa h THR 324 N 0.52 1.13 -0.92 1.05 2.02 -0.55 -0.86 112.91 115.28 1bqa h THR 324 Ca 0.10 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1bqa h THR 324 Cb 0.55 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 1bqa h THR 324 CO 0.03 0.17 0.61 0.44 0.37 0.00 0.00 175.52 177.14 1bqa h ASP 325 N 0.94 1.01 0.05 4.18 3.32 -0.85 0.88 116.42 125.95 1bqa h ASP 325 Ca 0.29 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.33 1bqa h ASP 325 Cb -0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1bqa h ASP 325 CO -0.10 0.70 -0.03 0.24 -1.72 0.00 0.00 179.24 178.34 1bqa h MET 326 N 1.18 -0.07 -0.27 3.56 2.86 -0.72 -0.69 114.93 120.79 1bqa h MET 326 Ca 0.36 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.05 1bqa h MET 326 Cb -0.02 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1bqa h MET 326 CO -0.10 0.24 0.00 -0.09 1.06 0.00 0.00 176.91 178.02 1bqa h ARG 327 N -0.38 0.08 -0.54 1.72 2.43 -0.78 -1.98 114.38 114.93 1bqa h ARG 327 Ca -0.01 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1bqa h ARG 327 Cb 0.34 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1bqa h ARG 327 CO 0.01 0.05 0.18 1.96 -1.51 0.00 0.00 179.97 180.66 1bqa h GLN 328 N 0.09 0.80 -0.17 0.20 4.20 -0.81 -1.10 115.11 118.32 1bqa h GLN 328 Ca 0.13 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1bqa h GLN 328 Cb 0.16 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1bqa h GLN 328 CO -0.21 0.69 -0.11 0.00 -0.67 0.00 0.00 178.83 178.53 1bqa h ARG 329 N 0.79 -0.10 -0.24 1.46 2.47 -0.41 0.99 114.38 119.34 1bqa h ARG 329 Ca 0.18 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1bqa h ARG 329 Cb 0.22 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1bqa h ARG 329 CO -0.01 -0.07 0.14 0.82 0.56 0.00 0.00 179.97 181.42 1bqa h ILE 330 N -0.10 1.10 -0.97 2.04 2.04 -0.91 -0.34 117.51 120.36 1bqa h ILE 330 Ca 0.10 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1bqa h ILE 330 Cb 0.25 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1bqa h ILE 330 CO -0.24 0.10 0.63 1.56 0.00 0.00 0.00 178.15 180.20 1bqa h GLN 331 N 0.29 1.16 -0.38 2.37 4.20 -0.82 -0.99 115.11 120.94 1bqa h GLN 331 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1bqa h GLN 331 Cb 0.03 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1bqa h GLN 331 CO -0.02 0.77 0.16 0.00 -0.67 0.00 0.00 178.83 179.07 1bqa h ARG 332 N 1.20 0.57 -0.49 1.46 -0.00 -0.35 -2.45 114.38 114.32 1bqa h ARG 332 Ca 0.40 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.98 59.72 1bqa h ARG 332 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.92 1bqa h ARG 332 CO -0.14 0.54 0.06 0.52 0.00 0.00 0.00 179.97 180.94 1bqa h MET 333 N 0.47 0.78 -0.04 0.04 2.86 -0.33 0.10 114.93 118.82 1bqa h MET 333 Ca 0.13 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1bqa h MET 333 Cb 0.18 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1bqa h MET 333 CO -0.01 0.75 0.02 0.00 1.06 0.00 0.00 176.91 178.72 1bqa h ARG 334 N 0.74 0.06 0.23 1.72 3.08 -1.04 0.44 114.38 119.60 1bqa h ARG 334 Ca 0.15 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1bqa h ARG 334 Cb 0.37 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1bqa h ARG 334 CO 0.01 0.20 -0.14 0.37 -1.07 0.00 0.00 179.97 179.33 1bqa h GLN 335 N -0.10 -0.35 -0.83 0.04 -0.00 -1.26 -2.29 115.11 110.33 1bqa h GLN 335 Ca 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.74 1bqa h GLN 335 Cb 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.67 1bqa h GLN 335 CO -0.00 -0.23 0.54 1.25 0.00 0.00 0.00 178.83 180.39 1bqa h LEU 336 N -0.36 0.83 -0.35 -2.39 5.85 -0.90 -1.63 115.31 116.35 1bqa h LEU 336 Ca -0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1bqa h LEU 336 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1bqa h LEU 336 CO 0.02 0.55 0.14 0.15 -0.34 0.00 0.00 178.44 178.96 1bqa h PHE 337 N 0.95 0.54 -0.20 1.25 3.57 -0.60 -0.83 116.94 121.62 1bqa h PHE 337 Ca 0.35 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1bqa h PHE 337 Cb 0.16 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1bqa h PHE 337 CO -0.00 0.50 0.05 0.28 -2.23 0.00 0.00 178.31 176.91 1bqa h VAL 338 N 0.43 1.20 -0.09 1.41 2.07 -0.94 -1.60 116.25 118.73 1bqa h VAL 338 Ca 0.12 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1bqa h VAL 338 Cb 0.19 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1bqa h VAL 338 CO -0.01 0.20 -0.01 0.78 0.02 0.00 0.00 177.57 178.56 1bqa h ASN 339 N 0.14 -0.05 -0.39 0.57 2.35 -1.22 -1.48 115.58 115.52 1bqa h ASN 339 Ca 0.06 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1bqa h ASN 339 Cb 0.26 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1bqa h ASN 339 CO 0.00 -0.01 0.17 0.74 -1.65 0.00 0.00 177.43 176.68 1bqa h THR 340 N 0.02 1.17 0.26 2.81 2.02 -1.13 -0.36 112.91 117.71 1bqa h THR 340 Ca 0.04 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1bqa h THR 340 Cb 0.05 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1bqa h THR 340 CO -0.08 0.20 -0.13 -0.07 0.37 0.00 0.00 175.52 175.82 1bqa h LEU 341 N 0.62 -0.30 -0.53 2.58 4.07 -0.82 -0.26 115.31 120.67 1bqa h LEU 341 Ca 0.15 -0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1bqa h LEU 341 Cb 0.13 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1bqa h LEU 341 CO -0.01 -0.10 0.30 1.56 -1.08 0.00 0.00 178.44 179.11 1bqa h GLN 342 N -0.49 0.57 -0.51 1.13 1.08 -0.92 -1.71 115.11 114.27 1bqa h GLN 342 Ca -0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1bqa h GLN 342 Cb 0.36 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1bqa h GLN 342 CO 0.06 0.38 0.32 0.93 -0.95 0.00 0.00 178.83 179.57 1bqa h GLU 343 N 0.59 0.68 0.00 1.46 5.08 -0.95 -2.31 114.58 119.13 1bqa h GLU 343 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 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 0.48 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 1bqa n LYS 344 N -4.70 0.40 -1.38 2.33 4.01 -0.12 -4.80 118.16 113.89 1bqa n LYS 344 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1bqa n LYS 344 Cb 0.04 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 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 -0.20 0.70 3.76 0.72 0.00 -0.87 -5.00 105.19 104.30 1bqa n GLY 345 Ca 0.09 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.42 3.33 0.00 4.61 0.00 -0.68 -4.98 121.76 121.62 1bqa s ALA 346 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1bqa s ALA 346 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1bqa s ALA 346 CO 0.00 -0.29 0.63 -1.71 0.00 0.00 0.00 175.76 174.39 1bqa n ASN 347 N 0.78 0.00 -4.92 0.00 5.15 -1.26 -4.89 115.26 110.11 1bqa n ASN 347 Ca 0.01 0.76 -0.26 0.00 -0.60 0.00 0.00 54.58 54.48 1bqa n ASN 347 Cb 0.45 -0.42 0.02 0.00 -0.53 0.00 0.00 39.78 39.31 1bqa n ASN 347 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bqa s ARG 348 N -2.09 3.02 0.17 1.20 3.00 -1.26 -5.06 118.95 117.94 1bqa s ARG 348 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 55.73 55.39 1bqa s ARG 348 Cb 0.00 -2.32 -0.07 0.00 0.00 0.00 0.00 34.95 32.55 1bqa s ARG 348 CO 0.00 -0.58 0.98 0.34 0.00 0.00 0.00 175.30 176.04 1bqa s ASP 349 N -4.27 7.51 -0.01 0.23 2.15 -1.26 -4.93 116.67 116.09 1bqa s ASP 349 Ca 0.52 1.91 0.02 0.00 0.43 0.00 0.00 52.55 55.44 1bqa s ASP 349 Cb -0.10 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1bqa s ASP 349 CO 0.44 -0.01 0.90 0.49 -0.17 0.00 0.00 175.17 176.83 1bqa n PHE 350 N 2.19 0.00 0.30 -5.34 3.01 -1.26 -4.79 117.46 111.57 1bqa n PHE 350 Ca 0.01 -0.42 0.18 0.00 1.01 0.00 0.00 57.45 58.22 1bqa n PHE 350 Cb 0.48 -0.05 0.90 0.00 -0.01 0.00 0.00 39.48 40.80 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 0.00 0.00 0.18 4.37 4.64 -1.95 -0.29 113.55 120.51 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 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1bqa h SER 351 CO 0.00 0.00 -0.06 2.19 -0.87 0.00 0.00 176.83 178.09 1bqa h PHE 352 N 0.00 0.00 -0.62 4.77 -5.15 -1.95 -1.43 116.94 112.56 1bqa h PHE 352 Ca 0.03 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.88 1bqa h PHE 352 Cb 0.55 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.68 1bqa h PHE 352 CO 0.00 0.06 0.41 0.82 -2.00 0.00 0.00 178.31 177.60 1bqa h ILE 353 N 0.00 0.93 0.00 0.88 1.08 -1.44 -1.15 117.51 117.81 1bqa h ILE 353 Ca -0.00 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 1bqa h ILE 353 Cb 0.17 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1bqa h ILE 353 CO 0.01 0.09 -0.23 0.40 -0.69 0.00 0.00 178.15 177.72 1bqa h ILE 354 N 0.49 0.56 -0.06 -0.67 1.08 -1.45 -2.97 117.51 114.48 1bqa h ILE 354 Ca 0.28 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 1bqa h ILE 354 Cb 0.46 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1bqa h ILE 354 CO -0.08 0.23 0.00 0.29 -0.69 0.00 0.00 178.15 177.90 1bqa n LYS 355 N -3.38 1.77 -3.90 2.37 5.02 -0.44 -4.88 118.16 114.72 1bqa n LYS 355 Ca 0.00 -1.14 -0.36 0.00 -2.02 0.00 0.00 58.31 54.80 1bqa n LYS 355 Cb 0.45 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.94 3.43 0.00 1.97 -0.21 -1.12 -4.88 119.66 116.91 1bqa s GLN 356 Ca 0.36 -0.17 -0.02 0.00 0.02 0.00 0.00 55.36 55.55 1bqa s GLN 356 Cb 0.20 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1bqa s GLN 356 CO 0.32 0.76 0.16 -0.80 -2.12 0.00 0.00 175.29 173.60 1bqa s ASN 357 N -1.21 6.19 0.00 5.90 0.01 0.18 -5.00 114.94 121.01 1bqa s ASN 357 Ca 0.17 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1bqa s ASN 357 Cb -0.12 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.64 1bqa s ASN 357 CO 0.07 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1bqa n GLY 358 N 0.91 -1.86 0.21 0.66 0.00 -1.26 -4.27 105.19 99.58 1bqa n GLY 358 Ca -0.11 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 -6.41 1.61 2.86 -1.93 -3.47 114.93 107.60 1bqa h MET 359 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 1bqa h MET 359 Cb 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.53 1bqa h MET 359 CO 0.00 0.17 -0.68 -0.06 1.06 0.00 0.00 176.91 177.39 1bqa s PHE 360 N -3.26 2.83 -0.04 -0.22 0.08 -1.26 -1.14 117.98 114.97 1bqa s PHE 360 Ca 0.05 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 1bqa s PHE 360 Cb 0.07 -1.42 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1bqa s PHE 360 CO 0.67 0.49 0.75 -1.12 -0.10 0.00 0.00 175.22 175.91 1bqa s SER 361 N -2.61 -0.57 -0.25 1.36 0.01 -1.14 -3.60 113.70 106.90 1bqa s SER 361 Ca 0.25 0.52 -0.19 0.00 1.31 0.00 0.00 55.95 57.84 1bqa s SER 361 Cb -0.10 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 1bqa s SER 361 CO 0.17 -0.60 0.58 -0.36 0.41 0.00 0.00 173.24 173.44 1bqa s PHE 362 N -1.61 3.28 0.17 2.43 0.08 -1.25 -1.81 117.98 119.27 1bqa s PHE 362 Ca -0.07 0.74 0.26 0.00 0.12 0.00 0.00 56.93 57.99 1bqa s PHE 362 Cb -0.00 -2.78 1.07 0.00 -0.57 0.00 0.00 43.02 40.73 1bqa s PHE 362 CO 0.04 -0.29 1.89 0.66 -0.10 0.00 0.00 175.22 177.41 1bqa h SER 363 N 7.91 0.00 0.00 1.36 4.64 -1.66 -3.47 113.55 122.34 1bqa h SER 363 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1bqa h SER 363 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1bqa h SER 363 CO 0.75 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1bqa n GLY 364 N 0.02 0.74 3.78 -0.77 0.00 -1.26 -5.04 105.19 102.66 1bqa n GLY 364 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.59 0.45 0.99 1.02 -1.26 -5.03 118.68 118.44 1bqa s LEU 365 Ca 0.00 2.01 -0.03 0.00 0.02 0.00 0.00 54.13 56.14 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 -1.29 0.71 0.42 0.02 0.00 0.00 176.35 176.21 1bqa s THR 366 N -2.13 4.65 0.30 5.49 -4.23 -1.26 -4.54 115.64 113.93 1bqa s THR 366 Ca 0.68 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1bqa s THR 366 Cb -0.20 -3.75 0.29 0.00 1.34 0.00 0.00 72.50 70.18 1bqa s THR 366 CO 0.33 -0.63 1.82 0.50 -0.54 0.00 0.00 174.62 176.10 1bqa h LYS 367 N 0.35 0.88 0.00 3.99 3.11 -1.94 0.88 116.57 123.84 1bqa h LYS 367 Ca -0.47 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.19 1bqa h LYS 367 Cb 1.22 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.24 1bqa h LYS 367 CO 0.61 0.58 -0.60 0.93 -2.81 0.00 0.00 179.45 178.15 1bqa h GLU 368 N 0.90 0.00 -0.16 1.90 3.07 -1.93 -2.22 114.58 116.14 1bqa h GLU 368 Ca 0.52 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.17 1bqa h GLU 368 Cb 0.63 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1bqa h GLU 368 CO -0.29 0.60 -0.72 1.96 -1.40 0.00 0.00 179.01 179.16 1bqa h GLN 369 N 0.00 0.78 -0.14 2.33 4.20 -1.42 -1.71 115.11 119.15 1bqa h GLN 369 Ca -0.01 -0.62 0.01 0.00 0.06 0.00 0.00 58.65 58.09 1bqa h GLN 369 Cb 1.14 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1bqa h GLN 369 CO 0.08 1.23 0.07 0.28 -0.67 0.00 0.00 178.83 179.82 1bqa h VAL 370 N 0.50 1.00 -0.77 -0.54 2.07 -0.83 0.14 116.25 117.83 1bqa h VAL 370 Ca -0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1bqa h VAL 370 Cb 1.35 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1bqa h VAL 370 CO 0.15 0.03 0.47 0.25 0.02 0.00 0.00 177.57 178.49 1bqa h LEU 371 N 0.16 0.75 -0.10 2.57 6.46 -1.40 -2.34 115.31 121.41 1bqa h LEU 371 Ca 0.06 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1bqa h LEU 371 Cb 0.00 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 1bqa h LEU 371 CO -0.03 0.50 0.04 -0.09 -0.62 0.00 0.00 178.44 178.23 1bqa h ARG 372 N 0.89 0.15 -0.82 1.25 2.43 -0.64 -1.70 114.38 115.94 1bqa h ARG 372 Ca 0.33 -0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.64 1bqa h ARG 372 Cb 0.11 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.53 1bqa h ARG 372 CO -0.15 0.26 0.35 -0.07 -1.51 0.00 0.00 179.97 178.85 1bqa h LEU 373 N 0.01 0.34 0.48 3.80 3.38 -0.23 0.14 115.31 123.23 1bqa h LEU 373 Ca 0.03 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1bqa h LEU 373 Cb 0.16 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bqa h LEU 373 CO -0.00 0.09 -0.23 -0.09 0.09 0.00 0.00 178.44 178.30 1bqa h ARG 374 N 0.47 -0.62 -0.65 1.13 2.43 -1.17 0.31 114.38 116.28 1bqa h ARG 374 Ca 0.47 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.78 1bqa h ARG 374 Cb 0.76 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1bqa h ARG 374 CO -0.44 -0.41 0.28 0.93 -1.51 0.00 0.00 179.97 178.82 1bqa h GLU 375 N -1.17 0.47 0.03 0.20 3.07 -1.11 -0.88 114.58 115.19 1bqa h GLU 375 Ca -0.07 -0.03 -0.32 0.00 -0.50 0.00 0.00 59.36 58.45 1bqa h GLU 375 Cb 0.49 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 1bqa h GLU 375 CO 0.11 0.31 -1.87 0.39 -1.40 0.00 0.00 179.01 176.55 1bqa n GLU 376 N -4.95 0.67 0.00 2.33 1.02 0.48 -4.65 120.64 115.55 1bqa n GLU 376 Ca 0.10 0.26 0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1bqa n GLU 376 Cb 0.28 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 1bqa n GLU 376 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1bqa n PHE 377 N -3.14 0.00 -1.17 -0.32 3.01 0.10 -5.00 117.46 110.94 1bqa n PHE 377 Ca -0.23 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.17 1bqa n PHE 377 Cb 1.06 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.77 0.83 3.63 1.37 0.00 -0.34 -4.72 105.19 106.75 1bqa n GLY 378 Ca 0.01 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.18 5.18 -0.18 1.61 1.01 -0.98 -1.07 120.40 123.80 1bqa s VAL 379 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 1bqa s VAL 379 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1bqa s VAL 379 CO 0.00 0.19 0.05 -0.31 0.00 0.00 0.00 175.10 175.04 1bqa s TYR 380 N 1.76 3.24 0.12 5.22 1.51 0.91 -2.58 117.35 127.54 1bqa s TYR 380 Ca 0.17 0.06 -0.13 0.00 -1.01 0.00 0.00 57.07 56.16 1bqa s TYR 380 Cb -0.15 -2.06 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1bqa s TYR 380 CO 0.09 0.17 0.32 0.00 -1.11 0.00 0.00 175.55 175.02 1bqa s ALA 381 N 0.29 -0.58 0.51 3.71 0.00 -1.26 0.10 121.76 124.53 1bqa s ALA 381 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 1bqa s ALA 381 Cb -0.12 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 1bqa s ALA 381 CO 0.00 -0.61 1.10 0.08 0.00 0.00 0.00 175.76 176.33 1bqa s VAL 382 N -3.85 3.41 0.62 0.00 1.01 -1.17 -4.91 120.40 115.51 1bqa s VAL 382 Ca 0.06 0.89 0.33 0.00 0.00 0.00 0.00 61.98 63.25 1bqa s VAL 382 Cb 0.03 -3.37 0.37 0.00 0.00 0.00 0.00 36.38 33.41 1bqa s VAL 382 CO -0.10 -0.18 2.14 0.00 0.00 0.00 0.00 175.10 176.96 1bqa h ALA 383 N 1.41 1.51 0.00 5.51 0.00 -1.95 0.18 119.26 125.93 1bqa h ALA 383 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bqa h ALA 383 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bqa h ALA 383 CO 0.58 -0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1bqa n SER 384 N -3.45 0.17 0.00 0.00 3.41 -1.26 -4.21 113.62 108.28 1bqa n SER 384 Ca -0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1bqa n SER 384 Cb 0.27 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.63 0.75 3.75 5.00 0.00 0.64 -4.83 105.19 111.14 1bqa n GLY 385 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.58 4.40 0.08 1.61 3.52 -1.25 -1.73 118.95 125.01 1bqa s ARG 386 Ca 0.00 2.08 0.05 0.00 -0.13 0.00 0.00 55.73 57.73 1bqa s ARG 386 Cb 0.00 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1bqa s ARG 386 CO 0.00 -0.19 -0.15 0.14 -0.81 0.00 0.00 175.30 174.30 1bqa s VAL 387 N -0.37 1.19 -0.40 7.11 -7.23 -0.75 -3.05 120.40 116.91 1bqa s VAL 387 Ca 0.53 -1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 1bqa s VAL 387 Cb -0.37 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.43 1bqa s VAL 387 CO 0.43 -0.26 0.22 0.21 -0.31 0.00 0.00 175.10 175.39 1bqa s ASN 388 N -1.90 5.62 0.60 4.85 3.84 -0.62 -2.89 114.94 124.44 1bqa s ASN 388 Ca 0.01 -1.32 0.31 0.00 0.21 0.00 0.00 52.86 52.07 1bqa s ASN 388 Cb -0.09 -1.98 1.87 0.00 -0.55 0.00 0.00 41.25 40.50 1bqa s ASN 388 CO 0.02 -0.47 2.25 -0.37 -2.79 0.00 0.00 177.10 175.75 1bqa h VAL 389 N 6.04 0.48 0.00 -5.21 -1.51 -1.47 0.34 116.25 114.91 1bqa h VAL 389 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1bqa h VAL 389 Cb 1.09 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1bqa h VAL 389 CO 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.05 1bqa n ALA 390 N -2.30 1.46 1.42 5.19 0.00 -1.26 -0.71 120.51 124.31 1bqa n ALA 390 Ca -0.03 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1bqa n ALA 390 Cb 0.10 -1.23 0.63 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.45 -0.96 3.91 0.00 0.00 0.11 -4.21 105.19 103.59 1bqa n GLY 391 Ca 0.02 -0.26 -0.32 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 -2.46 3.48 0.03 1.61 -1.94 0.11 -4.78 119.30 115.34 1bqa s MET 392 Ca 0.29 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.93 1bqa s MET 392 Cb 0.20 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 1bqa s MET 392 CO 0.47 0.60 -0.00 0.95 -0.01 0.00 0.00 175.02 177.03 1bqa s THR 393 N -1.48 0.13 0.49 2.05 -4.23 -1.26 -4.93 115.64 106.41 1bqa s THR 393 Ca 0.34 -1.07 0.27 0.00 -1.18 0.00 0.00 61.69 60.05 1bqa s THR 393 Cb -0.13 -0.56 0.45 0.00 1.34 0.00 0.00 72.50 73.60 1bqa s THR 393 CO 0.25 -0.59 1.87 -0.65 -0.54 0.00 0.00 174.62 174.96 1bqa h PRO 394 N 4.25 0.14 -0.25 3.99 0.11 -2.00 0.85 132.00 139.09 1bqa h PRO 394 Ca -0.32 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 1bqa h PRO 394 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bqa h PRO 394 CO 0.46 0.09 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.43 1bqa h ASP 395 N 0.14 0.85 0.04 -2.05 3.32 -1.95 -3.28 116.42 113.49 1bqa h ASP 395 Ca 0.45 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1bqa h ASP 395 Cb 1.53 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bqa h ASP 395 CO -0.07 1.23 -0.18 -0.46 -1.72 0.00 0.00 179.24 178.03 1bqa n ASN 396 N -4.12 1.93 -0.02 6.45 0.23 -0.20 -4.53 115.26 115.00 1bqa n ASN 396 Ca -0.05 -1.50 -0.09 0.00 -0.53 0.00 0.00 54.58 52.41 1bqa n ASN 396 Cb 0.58 0.15 -0.02 0.00 -2.08 0.00 0.00 39.78 38.41 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 2.76 -0.24 0.33 -3.83 4.05 -0.98 -2.09 114.93 114.93 1bqa h MET 397 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1bqa h MET 397 Cb 0.70 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1bqa h MET 397 CO 0.00 -0.16 -0.39 0.00 0.23 0.00 0.00 176.91 176.59 1bqa h ALA 398 N 0.78 -0.82 -0.97 0.39 0.00 -1.81 -0.48 119.26 116.35 1bqa h ALA 398 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bqa h ALA 398 Cb 0.42 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1bqa h ALA 398 CO -0.32 -1.00 0.63 -1.00 0.00 0.00 0.00 179.25 177.56 1bqa h PRO 399 N -0.76 1.16 0.30 0.00 0.13 -1.85 -0.72 132.00 130.26 1bqa h PRO 399 Ca -0.02 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1bqa h PRO 399 Cb 0.70 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1bqa h PRO 399 CO -0.10 0.77 -0.21 1.25 -0.23 0.00 0.00 178.00 179.48 1bqa h LEU 400 N 1.20 -0.53 -1.11 1.56 5.85 -1.00 -1.99 115.31 119.29 1bqa h LEU 400 Ca 0.39 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 59.08 1bqa h LEU 400 Cb 0.05 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1bqa h LEU 400 CO -0.13 -0.33 -0.15 0.00 -0.34 0.00 0.00 178.44 177.50 1bqa h GLU 402 N 0.42 0.76 -0.23 0.00 4.81 -0.96 -0.42 114.58 118.95 1bqa h GLU 402 Ca 0.08 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1bqa h GLU 402 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1bqa h GLU 402 CO 0.03 0.80 -0.12 0.00 -0.73 0.00 0.00 179.01 178.99 1bqa h ALA 403 N 1.25 0.32 -0.01 2.92 0.00 -0.99 -2.16 119.26 120.60 1bqa h ALA 403 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bqa h ALA 403 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bqa h ALA 403 CO 0.02 0.18 -0.04 0.82 0.00 0.00 0.00 179.25 180.23 1bqa h ILE 404 N 0.20 0.88 -0.91 0.00 2.04 -1.16 -1.70 117.51 116.86 1bqa h ILE 404 Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1bqa h ILE 404 Cb 0.62 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1bqa h ILE 404 CO 0.04 0.00 0.59 0.58 0.00 0.00 0.00 178.15 179.35 1bqa h VAL 405 N -0.07 0.75 0.00 1.67 2.07 -1.03 0.13 116.25 119.76 1bqa h VAL 405 Ca 0.02 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1bqa h VAL 405 Cb 0.10 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1bqa h VAL 405 CO -0.05 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1bqa h ALA 407 N 1.61 1.00 0.00 1.67 0.00 -0.63 -3.04 119.26 119.87 1bqa h ALA 407 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1bqa h ALA 407 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1bqa h ALA 407 CO -0.22 0.00 -1.27 1.33 0.00 0.00 0.00 179.25 179.09 1bqa n VAL 408 N -2.77 0.00 0.03 0.00 0.24 0.43 -5.10 118.33 111.15 1bqa n VAL 408 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1bqa n VAL 408 Cb 0.22 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.19 1bqa n VAL 408 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87