#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wms s ASP 8 N 0.00 5.09 -0.03 4.31 2.15 -1.26 -5.09 116.67 121.83 2wms s ASP 8 Ca 0.00 -1.84 -0.30 0.00 0.43 0.00 0.00 52.55 50.84 2wms s ASP 8 Cb 0.00 -1.77 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2wms s ASP 8 CO 0.00 -0.44 1.04 0.26 -0.17 0.00 0.00 175.17 175.86 2wms s TRP 9 N 1.14 3.54 0.03 -5.34 0.52 -1.26 -4.40 118.94 113.17 2wms s TRP 9 Ca 0.05 1.57 -0.30 0.00 0.02 0.00 0.00 56.10 57.43 2wms s TRP 9 Cb -0.21 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 28.85 2wms s TRP 9 CO -0.04 -0.38 1.07 -0.51 0.02 0.00 0.00 176.95 177.11 2wms s ASP 10 N 1.09 7.26 -0.73 2.95 -0.00 -0.21 -4.83 116.67 122.20 2wms s ASP 10 Ca 0.52 1.81 -0.18 0.00 -0.00 0.00 0.00 52.55 54.70 2wms s ASP 10 Cb -0.22 -2.58 0.13 0.00 -0.00 0.00 0.00 42.92 40.26 2wms s ASP 10 CO 0.24 -0.33 0.86 -0.76 -0.00 0.00 0.00 175.17 175.18 2wms s LEU 11 N 0.95 5.44 0.08 1.23 1.43 -1.26 -0.48 118.68 126.07 2wms s LEU 11 Ca 0.54 -1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 51.67 2wms s LEU 11 Cb -0.25 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.56 2wms s LEU 11 CO 0.29 -1.04 1.56 0.58 0.23 0.00 0.00 176.35 177.97 2wms h VAL 12 N 5.71 1.22 -2.64 -1.59 2.07 -0.57 -3.48 116.25 116.97 2wms h VAL 12 Ca -0.10 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2wms h VAL 12 Cb 1.06 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 2wms h VAL 12 CO 1.05 0.22 0.36 0.00 0.02 0.00 0.00 177.57 179.23 2wms s GLN 13 N -5.22 1.23 0.23 1.57 -2.07 -1.25 -4.98 119.66 109.18 2wms s GLN 13 Ca -0.14 -0.58 -0.16 0.00 -1.82 0.00 0.00 55.36 52.67 2wms s GLN 13 Cb 0.07 0.49 -0.08 0.00 -1.09 0.00 0.00 33.01 32.40 2wms s GLN 13 CO 0.72 -0.55 0.67 0.99 -1.32 0.00 0.00 175.29 175.80 2wms s THR 14 N -3.49 4.71 -0.01 3.63 2.01 -1.26 -0.06 115.64 121.15 2wms s THR 14 Ca 0.07 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.09 2wms s THR 14 Cb -0.02 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2wms s THR 14 CO -0.04 0.08 0.05 0.18 -0.69 0.00 0.00 174.62 174.20 2wms n LEU 15 N 0.36 0.01 0.00 4.42 4.77 0.43 -4.89 117.00 122.11 2wms n LEU 15 Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wms n LEU 15 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2wms n LEU 15 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2wms n GLY 16 N 2.21 -1.86 3.26 -0.72 0.00 -1.26 -4.97 105.19 101.85 2wms n GLY 16 Ca -0.00 0.66 -0.44 0.00 0.00 0.00 0.00 46.02 46.25 2wms n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wms s GLU 22 N 0.00 3.15 -0.06 1.61 2.56 -1.26 -4.87 118.70 119.82 2wms s GLU 22 Ca 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 54.97 52.62 2wms s GLU 22 Cb 0.00 -4.18 -0.04 0.00 2.00 0.00 0.00 34.13 31.91 2wms s GLU 22 CO 0.00 -1.25 0.10 0.08 -0.56 0.00 0.00 175.26 173.62 2wms s VAL 23 N 0.40 5.00 0.24 3.70 1.01 -1.26 -1.03 120.40 128.46 2wms s VAL 23 Ca 0.15 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2wms s VAL 23 Cb -0.17 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2wms s VAL 23 CO -0.05 0.50 -0.09 -1.58 0.00 0.00 0.00 175.10 173.87 2wms s GLN 24 N -1.33 1.44 -0.27 2.72 0.74 0.45 -0.42 119.66 122.99 2wms s GLN 24 Ca 0.19 -1.69 -0.14 0.00 0.05 0.00 0.00 55.36 53.76 2wms s GLN 24 Cb -0.12 -1.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 2wms s GLN 24 CO 0.08 0.09 0.33 -1.17 -0.55 0.00 0.00 175.29 174.08 2wms s LEU 25 N -3.38 4.04 -0.14 3.68 2.96 0.91 -0.73 118.68 126.01 2wms s LEU 25 Ca 0.26 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2wms s LEU 25 Cb 0.02 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2wms s LEU 25 CO 0.09 -0.15 -0.02 0.00 -1.32 0.00 0.00 176.35 174.96 2wms s ALA 26 N 1.99 3.12 -0.05 5.97 0.00 0.13 0.26 121.76 133.18 2wms s ALA 26 Ca 0.13 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.35 2wms s ALA 26 Cb -0.16 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2wms s ALA 26 CO 0.10 0.31 -0.24 0.08 0.00 0.00 0.00 175.76 176.01 2wms s VAL 27 N 0.02 1.98 -0.09 0.00 1.01 0.37 -0.54 120.40 123.16 2wms s VAL 27 Ca 0.02 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 2wms s VAL 27 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2wms s VAL 27 CO 0.02 0.55 0.78 0.21 0.00 0.00 0.00 175.10 176.67 2wms s ASN 28 N -0.24 7.03 0.14 3.32 3.84 -1.19 -1.05 114.94 126.80 2wms s ASN 28 Ca -0.01 1.25 -0.15 0.00 0.21 0.00 0.00 52.86 54.16 2wms s ASN 28 Cb -0.13 -2.45 0.01 0.00 -0.55 0.00 0.00 41.25 38.14 2wms s ASN 28 CO 0.03 -0.22 1.69 0.08 -2.79 0.00 0.00 177.10 175.88 2wms h ARG 29 N 6.95 0.68 -0.38 0.43 0.11 -1.95 1.07 114.38 121.29 2wms h ARG 29 Ca -0.37 -0.13 -0.07 0.00 0.10 0.00 0.00 59.98 59.51 2wms h ARG 29 Cb 1.18 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 2wms h ARG 29 CO 0.78 0.63 -0.04 0.28 0.10 0.00 0.00 179.97 181.72 2wms h VAL 30 N 0.59 1.27 0.00 0.08 2.07 -1.93 -3.38 116.25 114.95 2wms h VAL 30 Ca 0.15 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2wms h VAL 30 Cb 0.21 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2wms h VAL 30 CO -0.01 0.36 -1.28 0.35 0.02 0.00 0.00 177.57 177.01 2wms n THR 31 N -4.43 0.15 -0.99 2.57 -2.24 -1.23 -5.03 114.28 103.08 2wms n THR 31 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wms n THR 31 Cb 0.31 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2wms n THR 31 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2wms n GLU 32 N -1.91 -0.20 -1.90 -0.78 0.00 0.37 -4.98 120.64 111.24 2wms n GLU 32 Ca -0.04 0.05 -0.42 0.00 0.00 0.00 0.00 57.16 56.75 2wms n GLU 32 Cb 0.37 -3.17 -0.03 0.00 0.00 0.00 0.00 31.44 28.62 2wms n GLU 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2wms s GLU 33 N -0.22 4.18 0.33 3.44 2.02 -1.26 -4.53 118.70 122.65 2wms s GLU 33 Ca 0.00 2.34 -0.26 0.00 0.02 0.00 0.00 54.97 57.06 2wms s GLU 33 Cb 0.00 -3.89 -0.09 0.00 0.10 0.00 0.00 34.13 30.24 2wms s GLU 33 CO 0.00 -0.83 0.99 0.00 0.02 0.00 0.00 175.26 175.44 2wms s ALA 34 N 3.65 3.22 0.03 5.21 0.00 -1.26 -3.17 121.76 129.44 2wms s ALA 34 Ca 0.77 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.35 2wms s ALA 34 Cb -0.38 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 2wms s ALA 34 CO 0.33 0.04 -0.01 0.14 0.00 0.00 0.00 175.76 176.26 2wms s VAL 35 N -1.51 0.14 -0.12 0.00 -7.23 0.30 -4.51 120.40 107.47 2wms s VAL 35 Ca 0.50 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 2wms s VAL 35 Cb -0.22 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 2wms s VAL 35 CO 0.28 -0.65 0.34 0.00 -0.31 0.00 0.00 175.10 174.76 2wms s ALA 36 N -2.31 3.61 -0.22 1.32 0.00 0.03 -0.70 121.76 123.50 2wms s ALA 36 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 2wms s ALA 36 Cb -0.04 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.68 2wms s ALA 36 CO -0.04 0.19 -0.07 0.08 0.00 0.00 0.00 175.76 175.92 2wms s VAL 37 N 0.07 3.04 -0.30 0.00 1.01 0.09 -0.22 120.40 124.09 2wms s VAL 37 Ca 0.20 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2wms s VAL 37 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2wms s VAL 37 CO 0.07 0.38 0.41 -0.75 0.00 0.00 0.00 175.10 175.21 2wms s LYS 38 N 1.41 3.83 -1.09 2.72 2.20 -0.29 -0.41 119.74 128.11 2wms s LYS 38 Ca 0.04 -0.09 -0.04 0.00 -0.36 0.00 0.00 55.97 55.52 2wms s LYS 38 Cb -0.15 -3.72 0.15 0.00 -1.51 0.00 0.00 37.83 32.60 2wms s LYS 38 CO -0.05 -0.42 2.36 -0.89 -0.36 0.00 0.00 175.35 175.99 2wms n ILE 39 N 5.21 4.96 0.00 5.43 2.08 -0.20 -0.99 119.36 135.86 2wms n ILE 39 Ca -0.07 -4.34 0.00 0.00 0.56 0.00 0.00 62.75 58.90 2wms n ILE 39 Cb 0.50 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 2wms n ILE 39 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2wms n ASN 51 N 1.19 0.00 0.09 4.38 0.23 -1.26 -4.25 115.26 115.64 2wms n ASN 51 Ca 0.57 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 54.46 2wms n ASN 51 Cb 0.31 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.91 2wms n ASN 51 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2wms h ILE 52 N 0.00 1.41 -0.93 1.53 6.09 -1.99 -2.91 117.51 120.71 2wms h ILE 52 Ca 0.00 -2.67 0.07 0.00 -1.37 0.00 0.00 64.86 60.89 2wms h ILE 52 Cb 0.00 2.67 -0.06 0.00 0.47 0.00 0.00 36.82 39.90 2wms h ILE 52 CO 0.00 0.79 0.60 0.11 -3.07 0.00 0.00 178.15 176.59 2wms h LYS 53 N 0.18 1.02 -0.51 2.19 1.57 -2.00 -0.99 116.57 118.04 2wms h LYS 53 Ca -0.12 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 2wms h LYS 53 Cb 1.79 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2wms h LYS 53 CO 0.19 0.68 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.35 2wms h LYS 54 N 1.05 1.01 -0.11 3.15 3.64 -1.96 -0.65 116.57 122.70 2wms h LYS 54 Ca 0.40 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2wms h LYS 54 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2wms h LYS 54 CO -0.16 1.09 -0.05 1.49 -2.27 0.00 0.00 179.45 179.56 2wms h GLU 55 N 0.88 -0.03 -0.59 1.90 4.81 -1.02 0.26 114.58 120.79 2wms h GLU 55 Ca 0.12 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2wms h GLU 55 Cb 0.75 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 2wms h GLU 55 CO 0.06 -0.02 0.12 0.82 -0.73 0.00 0.00 179.01 179.26 2wms h ILE 56 N -0.03 1.25 0.22 2.32 2.04 -1.29 0.06 117.51 122.08 2wms h ILE 56 Ca 0.06 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.98 2wms h ILE 56 Cb 0.12 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2wms h ILE 56 CO -0.13 0.35 -0.42 0.00 0.00 0.00 0.00 178.15 177.95 2wms h ILE 58 N -0.72 1.15 -0.85 0.00 2.04 -0.46 -2.55 117.51 116.12 2wms h ILE 58 Ca 0.00 -0.41 0.17 0.00 1.00 0.00 0.00 64.86 65.62 2wms h ILE 58 Cb 0.70 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2wms h ILE 58 CO -0.19 0.16 0.56 0.78 0.00 0.00 0.00 178.15 179.47 2wms h ASN 59 N 0.46 0.46 -0.37 1.72 2.35 -0.84 -1.57 115.58 117.79 2wms h ASN 59 Ca 0.13 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2wms h ASN 59 Cb 0.08 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2wms h ASN 59 CO -0.02 0.21 0.19 0.11 -1.65 0.00 0.00 177.43 176.27 2wms h LYS 60 N 0.48 0.58 -0.04 0.81 1.79 -0.84 -2.78 116.57 116.56 2wms h LYS 60 Ca 0.44 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.69 2wms h LYS 60 Cb 0.96 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2wms h LYS 60 CO -0.17 0.46 -0.66 0.52 -1.08 0.00 0.00 179.45 178.52 2wms h MET 61 N 0.58 0.18 -6.58 3.15 2.86 -1.30 -3.47 114.93 110.35 2wms h MET 61 Ca 0.15 -0.14 -0.53 0.00 -2.06 0.00 0.00 59.70 57.12 2wms h MET 61 Cb 0.08 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.78 2wms h MET 61 CO -0.02 0.77 0.53 -0.51 1.06 0.00 0.00 176.91 178.75 2wms s LEU 62 N -7.76 4.42 -0.43 1.22 1.43 -1.05 -5.01 118.68 111.50 2wms s LEU 62 Ca -0.03 2.09 0.06 0.00 -1.03 0.00 0.00 54.13 55.22 2wms s LEU 62 Cb 0.12 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.95 2wms s LEU 62 CO 0.80 -0.37 0.53 -3.20 0.23 0.00 0.00 176.35 174.34 2wms n ASN 63 N 3.11 -1.11 -4.11 2.29 5.15 -1.26 -4.81 115.26 114.52 2wms n ASN 63 Ca 0.06 -2.69 -0.14 0.00 -0.60 0.00 0.00 54.58 51.21 2wms n ASN 63 Cb 0.46 0.13 -0.11 0.00 -0.53 0.00 0.00 39.78 39.72 2wms n ASN 63 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2wms s HIS 64 N -0.10 0.86 -0.90 1.20 2.46 -1.26 -5.03 115.29 112.52 2wms s HIS 64 Ca 0.33 -0.54 0.24 0.00 0.47 0.00 0.00 55.06 55.56 2wms s HIS 64 Cb 0.10 -0.50 0.98 0.00 -0.13 0.00 0.00 32.58 33.03 2wms s HIS 64 CO -0.15 -0.04 1.76 -0.85 -2.47 0.00 0.00 174.74 172.98 2wms n GLU 65 N 1.19 0.07 -0.53 2.88 0.00 -1.26 -2.62 120.64 120.38 2wms n GLU 65 Ca -0.21 0.15 0.05 0.00 0.00 0.00 0.00 57.16 57.15 2wms n GLU 65 Cb 0.55 -1.60 0.23 0.00 0.00 0.00 0.00 31.44 30.63 2wms n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wms n ASN 66 N -1.72 3.37 -4.00 -1.84 5.03 -1.26 -4.83 115.26 110.01 2wms n ASN 66 Ca 0.05 -3.24 -0.22 0.00 0.87 0.00 0.00 54.58 52.04 2wms n ASN 66 Cb 0.30 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.34 2wms n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wms s VAL 67 N -2.96 0.90 -0.15 2.41 1.01 -1.08 -1.40 120.40 119.13 2wms s VAL 67 Ca 0.42 -0.38 -0.39 0.00 0.00 0.00 0.00 61.98 61.64 2wms s VAL 67 Cb 0.36 -0.82 -0.16 0.00 0.00 0.00 0.00 36.38 35.76 2wms s VAL 67 CO 0.06 0.29 1.64 0.52 0.00 0.00 0.00 175.10 177.60 2wms n VAL 68 N 3.60 0.23 -2.42 2.92 0.31 -0.61 -4.62 118.33 117.74 2wms n VAL 68 Ca -0.21 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 2wms n VAL 68 Cb 0.53 -1.16 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 2wms n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wms s LYS 69 N 2.66 4.54 -0.29 5.55 1.02 -1.26 -4.82 119.74 127.13 2wms s LYS 69 Ca 0.94 1.83 -0.12 0.00 0.02 0.00 0.00 55.97 58.64 2wms s LYS 69 Cb -1.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.02 2wms s LYS 69 CO 0.59 -0.00 0.21 0.12 -0.92 0.00 0.00 175.35 175.35 2wms s PHE 70 N -0.29 3.22 -0.11 3.18 5.36 -1.26 0.29 117.98 128.37 2wms s PHE 70 Ca 0.50 0.05 -0.06 0.00 -0.96 0.00 0.00 56.93 56.47 2wms s PHE 70 Cb -0.32 -2.41 -0.26 0.00 -0.34 0.00 0.00 43.02 39.69 2wms s PHE 70 CO 0.37 -0.21 0.39 0.66 -1.46 0.00 0.00 175.22 174.97 2wms n TYR 71 N 5.08 1.28 -1.24 10.12 4.01 0.10 -5.00 117.16 131.51 2wms n TYR 71 Ca -0.13 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2wms n TYR 71 Cb 0.51 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 2wms n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wms n GLY 72 N 1.97 -0.57 3.63 2.72 0.00 -1.20 -5.00 105.19 106.74 2wms n GLY 72 Ca -0.31 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 2wms n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wms s HIS 73 N -3.66 -0.10 0.00 1.61 -3.43 -1.26 -1.61 115.29 106.84 2wms s HIS 73 Ca 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 2wms s HIS 73 Cb 0.00 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2wms s HIS 73 CO 0.00 -0.37 0.00 0.54 -2.00 0.00 0.00 174.74 172.91 2wms n ARG 74 N -0.37 0.00 -4.73 -0.38 1.74 -1.26 -4.99 116.66 106.68 2wms n ARG 74 Ca -0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.69 2wms n ARG 74 Cb 0.61 -0.23 -0.12 0.00 -1.02 0.00 0.00 32.46 31.70 2wms n ARG 74 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wms s GLN 80 N -1.00 2.51 -0.13 5.56 -0.21 -1.26 -4.86 119.66 120.27 2wms s GLN 80 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.70 2wms s GLN 80 Cb 0.00 -2.42 0.01 0.00 1.00 0.00 0.00 33.01 31.60 2wms s GLN 80 CO 0.00 0.62 -0.19 0.71 -2.12 0.00 0.00 175.29 174.31 2wms s TYR 81 N -0.82 2.38 -0.22 0.91 1.51 -1.26 -4.42 117.35 115.44 2wms s TYR 81 Ca 0.13 -1.20 -0.06 0.00 -1.01 0.00 0.00 57.07 54.93 2wms s TYR 81 Cb -0.11 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 2wms s TYR 81 CO 0.03 -0.58 0.04 -0.51 -1.11 0.00 0.00 175.55 173.42 2wms s LEU 82 N 0.95 3.43 -0.51 -1.29 1.02 -0.16 -4.13 118.68 117.99 2wms s LEU 82 Ca -0.05 -0.16 -0.20 0.00 0.02 0.00 0.00 54.13 53.74 2wms s LEU 82 Cb -0.15 -1.89 0.05 0.00 0.02 0.00 0.00 46.19 44.22 2wms s LEU 82 CO -0.03 0.04 0.67 -0.36 0.02 0.00 0.00 176.35 176.69 2wms s PHE 83 N 1.15 3.02 0.14 0.29 0.08 -0.63 -1.14 117.98 120.89 2wms s PHE 83 Ca 0.04 -0.45 0.10 0.00 0.12 0.00 0.00 56.93 56.73 2wms s PHE 83 Cb -0.14 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 2wms s PHE 83 CO 0.03 -1.07 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.36 2wms s LEU 84 N 2.80 2.59 0.03 -0.37 1.43 0.69 0.01 118.68 125.86 2wms s LEU 84 Ca 0.17 -0.65 -0.35 0.00 -1.03 0.00 0.00 54.13 52.27 2wms s LEU 84 Cb -0.18 -1.42 -0.14 0.00 0.03 0.00 0.00 46.19 44.48 2wms s LEU 84 CO 0.13 0.16 1.66 1.21 0.23 0.00 0.00 176.35 179.74 2wms n GLU 85 N 0.69 1.93 -3.11 1.70 2.13 0.15 -0.79 120.64 123.34 2wms n GLU 85 Ca -0.15 0.70 -0.40 0.00 0.66 0.00 0.00 57.16 57.97 2wms n GLU 85 Cb 0.53 -2.47 -0.06 0.00 0.27 0.00 0.00 31.44 29.72 2wms n GLU 85 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2wms s TYR 86 N 2.11 3.38 -0.49 4.31 5.04 -1.26 -4.56 117.35 125.87 2wms s TYR 86 Ca 0.86 0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 56.30 2wms s TYR 86 Cb -0.76 -2.81 0.11 0.00 0.35 0.00 0.00 41.96 38.86 2wms s TYR 86 CO 0.46 -0.17 0.41 0.00 -1.34 0.00 0.00 175.55 174.92 2wms n SER 88 N 5.13 0.00 0.10 0.00 3.41 -1.24 -3.03 113.62 117.99 2wms n SER 88 Ca -0.12 -0.66 -0.03 0.00 -0.26 0.00 0.00 58.87 57.80 2wms n SER 88 Cb 0.41 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2wms n SER 88 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wms h GLY 89 N 4.09 0.00 0.00 5.00 0.00 0.99 -3.45 103.07 109.69 2wms h GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wms h GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wms n GLY 90 N 0.86 -0.20 3.57 4.60 0.00 -0.86 -4.77 105.19 108.39 2wms n GLY 90 Ca -0.00 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 2wms n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wms s GLU 91 N 0.00 1.96 0.38 1.61 -1.05 -1.26 0.43 118.70 120.78 2wms s GLU 91 Ca 0.00 -1.70 0.05 0.00 -0.15 0.00 0.00 54.97 53.17 2wms s GLU 91 Cb 0.00 -1.90 0.77 0.00 -0.44 0.00 0.00 34.13 32.55 2wms s GLU 91 CO 0.00 0.26 2.04 1.25 0.95 0.00 0.00 175.26 179.75 2wms h LEU 92 N 2.01 0.58 -1.46 1.83 5.85 -0.83 -2.18 115.31 121.11 2wms h LEU 92 Ca -0.42 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2wms h LEU 92 Cb 1.25 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2wms h LEU 92 CO 0.63 0.42 0.37 -0.26 -0.34 0.00 0.00 178.44 179.26 2wms h PHE 93 N 0.68 0.69 -0.57 1.25 0.05 -1.84 -1.42 116.94 115.78 2wms h PHE 93 Ca 0.19 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.99 2wms h PHE 93 Cb -0.06 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.62 2wms h PHE 93 CO -0.00 0.43 0.33 -0.44 -0.18 0.00 0.00 178.31 178.46 2wms h ASP 94 N 0.74 0.69 0.73 2.17 3.45 -1.75 -1.61 116.42 120.84 2wms h ASP 94 Ca 0.20 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.62 2wms h ASP 94 Cb -0.08 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.52 2wms h ASP 94 CO -0.04 0.54 0.00 0.54 -1.57 0.00 0.00 179.24 178.71 2wms n ARG 95 N -4.41 0.15 -3.64 3.56 5.12 -0.54 -4.73 116.66 112.17 2wms n ARG 95 Ca 0.05 0.36 -0.37 0.00 -1.93 0.00 0.00 57.85 55.96 2wms n ARG 95 Cb 0.08 -1.77 -0.10 0.00 -1.16 0.00 0.00 32.46 29.51 2wms n ARG 95 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2wms s ILE 96 N -3.22 5.27 -0.17 0.55 1.01 -0.61 -4.76 121.20 119.28 2wms s ILE 96 Ca 0.06 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 2wms s ILE 96 Cb 0.10 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2wms s ILE 96 CO 0.38 0.30 0.96 -0.70 0.00 0.00 0.00 174.94 175.88 2wms s GLU 97 N 1.39 4.32 0.26 2.79 2.56 -0.56 -4.89 118.70 124.56 2wms s GLU 97 Ca 0.07 1.26 -0.30 0.00 0.00 0.00 0.00 54.97 56.00 2wms s GLU 97 Cb -0.15 -3.59 -0.14 0.00 2.00 0.00 0.00 34.13 32.26 2wms s GLU 97 CO 0.07 -0.43 1.27 -2.30 -0.56 0.00 0.00 175.26 173.32 2wms n PRO 98 N 5.53 1.80 -0.49 4.30 -0.02 -1.26 -0.17 135.00 144.69 2wms n PRO 98 Ca 0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2wms n PRO 98 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2wms n PRO 98 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wms n ASP 99 N 1.68 0.00 0.00 2.55 2.03 -0.82 -4.65 116.55 117.35 2wms n ASP 99 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2wms n ASP 99 Cb 0.31 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2wms n ASP 99 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2wms n ILE 100 N -2.00 0.00 0.00 5.18 5.41 -0.76 -4.66 119.36 122.53 2wms n ILE 100 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wms n ILE 100 Cb 0.00 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 2wms n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wms n GLY 101 N 2.82 0.96 3.63 7.39 0.00 0.76 -4.04 105.19 116.71 2wms n GLY 101 Ca 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 2wms n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wms s MET 102 N 0.00 1.60 0.14 1.61 0.23 0.11 -1.50 119.30 121.49 2wms s MET 102 Ca 0.00 -1.23 -0.33 0.00 -1.03 0.00 0.00 55.69 53.10 2wms s MET 102 Cb 0.00 0.49 -0.13 0.00 -1.53 0.00 0.00 34.83 33.67 2wms s MET 102 CO 0.00 -0.68 1.69 -2.30 -2.03 0.00 0.00 175.02 171.70 2wms n PRO 103 N -0.40 2.43 -0.35 3.16 -0.02 -1.26 -4.76 135.00 133.80 2wms n PRO 103 Ca -0.02 0.88 0.23 0.00 -2.02 0.00 0.00 63.50 62.57 2wms n PRO 103 Cb 0.61 -2.70 0.47 0.00 -0.02 0.00 0.00 33.50 31.87 2wms n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wms h GLU 104 N 6.91 0.38 -0.91 -0.52 4.81 -1.97 0.84 114.58 124.12 2wms h GLU 104 Ca -0.45 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2wms h GLU 104 Cb 1.24 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2wms h GLU 104 CO 0.92 0.25 0.59 -1.35 -0.73 0.00 0.00 179.01 178.70 2wms h PRO 105 N 0.39 1.13 -0.12 0.92 0.11 -1.92 -1.24 132.00 131.28 2wms h PRO 105 Ca 0.70 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.62 2wms h PRO 105 Cb 1.59 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2wms h PRO 105 CO -0.51 0.75 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.13 2wms h ASP 106 N 1.16 0.30 -0.49 -2.05 3.45 -1.22 -2.64 116.42 114.94 2wms h ASP 106 Ca 0.35 -0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 2wms h ASP 106 Cb -0.03 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 2wms h ASP 106 CO -0.11 0.73 -0.12 0.00 -1.57 0.00 0.00 179.24 178.17 2wms h ALA 107 N 1.28 0.80 -0.09 3.45 0.00 -1.03 -2.04 119.26 121.64 2wms h ALA 107 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2wms h ALA 107 Cb 0.91 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wms h ALA 107 CO 0.07 0.66 -0.02 0.37 0.00 0.00 0.00 179.25 180.34 2wms h GLN 108 N 0.87 0.18 -0.96 0.00 4.15 -1.18 -0.81 115.11 117.36 2wms h GLN 108 Ca 0.13 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.54 2wms h GLN 108 Cb 0.67 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.29 2wms h GLN 108 CO 0.05 0.49 0.62 -0.09 -1.93 0.00 0.00 178.83 177.97 2wms h ARG 109 N -0.14 1.12 -0.22 1.69 2.43 -1.41 0.91 114.38 118.76 2wms h ARG 109 Ca 0.02 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2wms h ARG 109 Cb 0.42 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2wms h ARG 109 CO 0.01 0.74 -0.30 0.74 -1.51 0.00 0.00 179.97 179.65 2wms h PHE 110 N 1.16 0.50 -0.04 2.20 0.04 -1.19 -2.80 116.94 116.81 2wms h PHE 110 Ca 0.40 -0.12 -0.26 0.00 2.80 0.00 0.00 57.97 60.80 2wms h PHE 110 Cb 0.10 -0.12 0.02 0.00 2.20 0.00 0.00 35.95 38.15 2wms h PHE 110 CO -0.01 0.70 -0.98 0.35 -0.60 0.00 0.00 178.31 177.77 2wms h PHE 111 N 0.38 1.04 -0.98 -0.55 3.57 0.04 0.60 116.94 121.04 2wms h PHE 111 Ca 0.05 -0.54 0.08 0.00 3.53 0.00 0.00 57.97 61.09 2wms h PHE 111 Cb 0.73 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 2wms h PHE 111 CO 0.02 1.37 0.63 0.45 -2.23 0.00 0.00 178.31 178.55 2wms h HIS 112 N 0.43 1.15 0.08 0.41 3.86 -0.85 0.19 115.15 120.42 2wms h HIS 112 Ca -0.11 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.87 2wms h HIS 112 Cb 1.62 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 29.73 2wms h HIS 112 CO 0.10 0.56 -1.13 1.96 0.86 0.00 0.00 177.93 180.28 2wms h GLN 113 N 1.10 0.44 -0.67 2.45 4.20 -1.38 -1.45 115.11 119.80 2wms h GLN 113 Ca 0.44 -0.58 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2wms h GLN 113 Cb 0.25 0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2wms h GLN 113 CO -0.20 1.23 0.42 1.25 -0.67 0.00 0.00 178.83 180.86 2wms h LEU 114 N 0.20 0.71 -0.52 1.46 5.85 -0.49 -1.60 115.31 120.92 2wms h LEU 114 Ca -0.13 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2wms h LEU 114 Cb 1.80 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 2wms h LEU 114 CO 0.20 0.49 0.09 0.24 -0.34 0.00 0.00 178.44 179.12 2wms h MET 115 N 0.84 0.86 -0.43 1.25 2.86 -0.58 -1.62 114.93 118.11 2wms h MET 115 Ca 0.26 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2wms h MET 115 Cb -0.01 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2wms h MET 115 CO -0.09 0.84 0.18 0.00 1.06 0.00 0.00 176.91 178.90 2wms h ALA 116 N 0.98 0.52 -0.29 6.32 0.00 -0.95 0.23 119.26 126.07 2wms h ALA 116 Ca 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wms h ALA 116 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wms h ALA 116 CO 0.01 -0.20 0.03 0.78 0.00 0.00 0.00 179.25 179.87 2wms h GLY 117 N 0.36 0.54 1.18 0.00 0.00 -1.21 -2.65 103.07 101.29 2wms h GLY 117 Ca 0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2wms h GLY 117 CO -0.17 0.34 -0.26 -2.08 0.00 0.00 0.00 176.54 174.37 2wms h VAL 118 N 0.31 1.27 -0.74 4.60 2.07 -1.04 -1.27 116.25 121.45 2wms h VAL 118 Ca 0.09 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.25 2wms h VAL 118 Cb 0.37 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2wms h VAL 118 CO 0.01 0.48 0.43 0.58 0.02 0.00 0.00 177.57 179.09 2wms h VAL 119 N 0.79 0.99 0.31 2.57 2.07 -0.54 -0.84 116.25 121.59 2wms h VAL 119 Ca 0.09 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2wms h VAL 119 Cb 0.83 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wms h VAL 119 CO 0.07 0.14 -0.15 0.22 0.02 0.00 0.00 177.57 177.88 2wms h TYR 120 N 0.78 -0.38 -0.12 1.57 3.20 -1.08 0.30 116.97 121.23 2wms h TYR 120 Ca 0.33 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.23 2wms h TYR 120 Cb 0.19 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2wms h TYR 120 CO -0.06 -0.15 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.07 2wms h LEU 121 N -0.56 -0.53 -1.42 2.82 3.38 -1.05 -0.57 115.31 117.38 2wms h LEU 121 Ca -0.04 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2wms h LEU 121 Cb 0.41 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2wms h LEU 121 CO 0.07 -0.22 0.42 0.45 0.09 0.00 0.00 178.44 179.25 2wms h HIS 122 N -0.22 0.73 -0.17 1.13 3.86 -1.05 -0.12 115.15 119.31 2wms h HIS 122 Ca 0.09 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2wms h HIS 122 Cb 0.36 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2wms h HIS 122 CO -0.28 0.43 0.14 0.78 0.86 0.00 0.00 177.93 179.86 2wms h GLY 123 N 0.76 0.00 -2.13 2.45 0.00 0.12 -1.48 103.07 102.79 2wms h GLY 123 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.37 2wms h GLY 123 CO -0.07 0.00 -0.33 0.29 0.00 0.00 0.00 176.54 176.43 2wms n ILE 124 N -4.29 2.49 -1.46 2.60 -5.35 -0.70 -4.96 119.36 107.68 2wms n ILE 124 Ca 0.01 -3.24 -0.13 0.00 -0.27 0.00 0.00 62.75 59.12 2wms n ILE 124 Cb 0.27 -0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 37.62 2wms n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wms n GLY 125 N -1.03 1.28 3.40 3.28 0.00 -0.56 -4.93 105.19 106.63 2wms n GLY 125 Ca 0.32 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2wms n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wms s ILE 126 N -2.51 3.32 -0.13 -0.61 1.01 -0.14 -0.51 121.20 121.64 2wms s ILE 126 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 2wms s ILE 126 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2wms s ILE 126 CO 0.00 0.50 -0.03 0.28 0.00 0.00 0.00 174.94 175.70 2wms s THR 127 N 0.48 4.04 -0.02 2.92 -1.32 -0.47 -2.99 115.64 118.29 2wms s THR 127 Ca -0.07 -0.32 -0.26 0.00 -1.21 0.00 0.00 61.69 59.83 2wms s THR 127 Cb -0.15 -2.74 -0.20 0.00 -1.51 0.00 0.00 72.50 67.90 2wms s THR 127 CO 0.04 0.54 1.27 -0.74 -2.21 0.00 0.00 174.62 173.52 2wms h HIS 128 N 6.07 -0.01 0.00 9.09 2.76 -1.92 -1.99 115.15 129.15 2wms h HIS 128 Ca -0.39 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 2wms h HIS 128 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 2wms h HIS 128 CO 0.56 0.45 0.00 0.54 -1.30 0.00 0.00 177.93 178.19 2wms n ARG 129 N -4.87 0.00 -3.18 5.26 1.74 -1.26 -2.93 116.66 111.42 2wms n ARG 129 Ca -0.08 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 2wms n ARG 129 Cb 0.24 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 2wms n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wms n ASP 130 N 0.00 0.37 -4.64 0.55 4.64 -1.26 -3.94 116.55 112.27 2wms n ASP 130 Ca 0.00 -2.85 -0.39 0.00 -1.38 0.00 0.00 54.79 50.17 2wms n ASP 130 Cb 0.00 -0.56 -0.08 0.00 -1.04 0.00 0.00 41.12 39.44 2wms n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2wms s ILE 131 N -1.67 5.14 -0.04 5.18 1.01 -1.26 -4.81 121.20 124.75 2wms s ILE 131 Ca 0.37 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.49 2wms s ILE 131 Cb 0.25 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 39.06 2wms s ILE 131 CO -0.10 0.16 0.92 -1.59 0.00 0.00 0.00 174.94 174.34 2wms s LYS 132 N 1.86 0.76 0.58 2.79 -2.85 -1.26 -4.78 119.74 116.84 2wms s LYS 132 Ca 0.20 -0.24 0.28 0.00 -1.00 0.00 0.00 55.97 55.21 2wms s LYS 132 Cb -0.15 0.35 1.76 0.00 -2.06 0.00 0.00 37.83 37.72 2wms s LYS 132 CO 0.09 -0.32 2.24 -1.35 0.10 0.00 0.00 175.35 176.11 2wms h PRO 133 N 2.06 0.00 0.00 1.78 0.11 -1.94 0.90 132.00 134.91 2wms h PRO 133 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2wms h PRO 133 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wms h PRO 133 CO 0.30 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 178.98 2wms h GLU 134 N 0.00 0.00 -0.53 1.05 3.07 -1.96 -2.74 114.58 113.46 2wms h GLU 134 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2wms h GLU 134 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2wms h GLU 134 CO -0.00 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 2wms n ASN 135 N -4.27 3.46 -4.23 1.42 3.02 0.29 -4.78 115.26 110.18 2wms n ASN 135 Ca -0.03 -1.98 -0.38 0.00 -0.03 0.00 0.00 54.58 52.16 2wms n ASN 135 Cb 0.13 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.83 2wms n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wms s LEU 136 N -1.04 4.86 0.02 3.41 1.43 -1.04 -0.72 118.68 125.60 2wms s LEU 136 Ca 0.37 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 2wms s LEU 136 Cb 0.20 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2wms s LEU 136 CO 0.26 -0.46 0.19 -0.76 0.23 0.00 0.00 176.35 175.81 2wms s LEU 137 N 1.35 4.35 -0.14 1.79 1.43 0.15 -0.68 118.68 126.93 2wms s LEU 137 Ca 0.02 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2wms s LEU 137 Cb -0.22 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 2wms s LEU 137 CO 0.01 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 175.97 2wms s LEU 138 N -2.21 3.04 0.00 1.79 1.43 0.17 0.63 118.68 123.53 2wms s LEU 138 Ca 0.31 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2wms s LEU 138 Cb -0.13 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.46 2wms s LEU 138 CO 0.23 0.18 0.51 -0.90 0.23 0.00 0.00 176.35 176.61 2wms n ASP 139 N 3.43 0.34 -0.36 2.29 3.85 -0.68 0.13 116.55 125.55 2wms n ASP 139 Ca -0.18 -1.37 -0.03 0.00 -0.71 0.00 0.00 54.79 52.51 2wms n ASP 139 Cb 0.53 -0.37 0.10 0.00 -1.35 0.00 0.00 41.12 40.03 2wms n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2wms h GLU 140 N 0.00 1.28 0.00 0.11 9.09 -1.90 0.09 114.58 123.25 2wms h GLU 140 Ca -0.17 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.14 2wms h GLU 140 Cb 0.53 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2wms h GLU 140 CO 0.15 0.88 0.00 0.54 0.05 0.00 0.00 179.01 180.63 2wms n ARG 141 N -4.37 0.07 -0.66 1.06 1.74 -1.26 -4.85 116.66 108.39 2wms n ARG 141 Ca 0.11 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2wms n ARG 141 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2wms n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wms n ASP 142 N -1.45 -1.97 -4.73 0.55 9.92 0.02 -5.03 116.55 113.86 2wms n ASP 142 Ca 0.06 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.90 2wms n ASP 142 Cb 0.22 -0.33 -0.03 0.00 -0.64 0.00 0.00 41.12 40.34 2wms n ASP 142 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2wms s ASN 143 N -2.02 6.77 0.18 -2.24 0.01 -1.26 -4.67 114.94 111.70 2wms s ASN 143 Ca 0.00 2.48 -0.30 0.00 -0.71 0.00 0.00 52.86 54.33 2wms s ASN 143 Cb 0.00 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 2wms s ASN 143 CO 0.00 -0.65 1.00 -0.22 -1.51 0.00 0.00 177.10 175.72 2wms s LEU 144 N 0.34 4.55 -0.07 0.60 0.20 -1.26 -1.68 118.68 121.35 2wms s LEU 144 Ca 0.61 1.95 0.01 0.00 0.69 0.00 0.00 54.13 57.40 2wms s LEU 144 Cb -0.39 -3.60 0.02 0.00 -0.43 0.00 0.00 46.19 41.79 2wms s LEU 144 CO 0.36 -0.04 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.75 2wms s LYS 145 N -0.57 1.40 -0.04 1.98 -0.14 0.21 -4.42 119.74 118.15 2wms s LYS 145 Ca 0.46 -0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.49 2wms s LYS 145 Cb -0.26 -1.29 -0.03 0.00 -1.68 0.00 0.00 37.83 34.56 2wms s LYS 145 CO 0.33 -0.08 1.16 0.42 -0.76 0.00 0.00 175.35 176.41 2wms s ILE 146 N 1.03 4.33 0.08 2.17 1.01 -0.49 -0.68 121.20 128.65 2wms s ILE 146 Ca -0.08 1.65 0.10 0.00 0.00 0.00 0.00 60.65 62.32 2wms s ILE 146 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 2wms s ILE 146 CO -0.00 0.02 -0.26 -0.55 0.00 0.00 0.00 174.94 174.15 2wms s SER 147 N 1.34 3.15 -0.01 3.58 0.15 0.10 -1.57 113.70 120.44 2wms s SER 147 Ca 0.55 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 2wms s SER 147 Cb -0.24 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2wms s SER 147 CO 0.23 0.22 0.00 -0.67 1.20 0.00 0.00 173.24 174.22 2wms n ASP 148 N 1.46 -2.23 -2.14 5.45 4.64 -1.26 -4.80 116.55 117.66 2wms n ASP 148 Ca -0.17 0.06 -0.23 0.00 -1.38 0.00 0.00 54.79 53.07 2wms n ASP 148 Cb 0.52 -1.19 0.15 0.00 -1.04 0.00 0.00 41.12 39.57 2wms n ASP 148 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2wms n PHE 149 N 0.03 2.84 -0.17 -0.67 3.01 -1.26 -4.46 117.46 116.78 2wms n PHE 149 Ca -0.00 -1.87 -0.06 0.00 1.01 0.00 0.00 57.45 56.53 2wms n PHE 149 Cb 0.00 -0.95 0.11 0.00 -0.01 0.00 0.00 39.48 38.63 2wms n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wms h GLY 150 N 1.35 1.02 -1.88 1.37 0.00 -1.92 -2.87 103.07 100.15 2wms h GLY 150 Ca 0.58 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2wms h GLY 150 CO 1.07 0.62 0.00 1.04 0.00 0.00 0.00 176.54 179.28 2wms n LEU 151 N -4.22 2.96 -4.78 3.11 4.77 -1.26 -4.82 117.00 112.76 2wms n LEU 151 Ca 0.04 -1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 54.59 2wms n LEU 151 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2wms n LEU 151 CO 0.42 0.54 0.76 0.00 -1.33 0.00 0.00 177.39 177.78 2wms s ALA 152 N -1.88 2.97 0.17 -1.18 0.00 -1.08 -4.67 121.76 116.08 2wms s ALA 152 Ca 0.31 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 2wms s ALA 152 Cb 0.21 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2wms s ALA 152 CO 0.31 -0.41 0.17 -0.08 0.00 0.00 0.00 175.76 175.75 2wms s THR 153 N -1.72 0.06 0.03 0.00 -1.32 -0.75 -4.93 115.64 107.01 2wms s THR 153 Ca 0.63 -1.75 -0.22 0.00 -1.21 0.00 0.00 61.69 59.13 2wms s THR 153 Cb -0.23 -2.12 -0.06 0.00 -1.51 0.00 0.00 72.50 68.59 2wms s THR 153 CO 0.27 -0.27 0.67 -0.69 -2.21 0.00 0.00 174.62 172.39 2wms s VAL 154 N -4.05 4.80 0.00 5.08 1.01 -1.26 -1.37 120.40 124.60 2wms s VAL 154 Ca 0.26 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2wms s VAL 154 Cb 0.06 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2wms s VAL 154 CO 0.04 0.41 0.00 2.22 0.00 0.00 0.00 175.10 177.78 2wms n PHE 155 N 2.62 0.00 -4.37 5.22 -1.74 0.33 -4.90 117.46 114.61 2wms n PHE 155 Ca -0.05 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.62 2wms n PHE 155 Cb 0.51 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.34 2wms n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2wms s ARG 156 N -1.22 1.20 -0.10 3.97 3.52 -1.14 -0.06 118.95 125.12 2wms s ARG 156 Ca 0.00 -0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.28 2wms s ARG 156 Cb 0.00 -1.07 0.04 0.00 -1.56 0.00 0.00 34.95 32.36 2wms s ARG 156 CO 0.00 -0.01 0.25 -0.47 -0.81 0.00 0.00 175.30 174.26 2wms s TYR 157 N 0.70 -0.33 -1.44 5.12 5.04 -1.11 -4.43 117.35 120.91 2wms s TYR 157 Ca -0.12 0.78 -0.10 0.00 -2.44 0.00 0.00 57.07 55.19 2wms s TYR 157 Cb -0.14 0.06 0.06 0.00 0.35 0.00 0.00 41.96 42.28 2wms s TYR 157 CO 0.02 -0.22 0.71 0.09 -1.34 0.00 0.00 175.55 174.80 2wms n ASN 158 N 4.07 -4.83 -1.73 4.32 3.02 -1.26 -2.25 115.26 116.60 2wms n ASN 158 Ca -0.24 -0.49 -0.18 0.00 -0.03 0.00 0.00 54.58 53.64 2wms n ASN 158 Cb 0.54 -3.91 -0.04 0.00 -0.61 0.00 0.00 39.78 35.76 2wms n ASN 158 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wms n ASN 159 N -2.55 -5.20 -4.10 6.41 3.02 -1.26 -4.98 115.26 106.59 2wms n ASN 159 Ca -0.02 0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.44 2wms n ASN 159 Cb 0.56 -4.28 -0.17 0.00 -0.61 0.00 0.00 39.78 35.28 2wms n ASN 159 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wms s ARG 160 N -4.24 2.48 0.17 3.52 3.52 -0.96 -5.11 118.95 118.32 2wms s ARG 160 Ca 0.00 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 2wms s ARG 160 Cb 0.00 -2.04 -0.07 0.00 -1.56 0.00 0.00 34.95 31.27 2wms s ARG 160 CO 0.00 -0.02 1.06 -2.00 -0.81 0.00 0.00 175.30 173.53 2wms s GLU 161 N 0.86 4.63 -0.22 5.12 2.12 -1.26 -2.73 118.70 127.22 2wms s GLU 161 Ca -0.08 1.65 -0.03 0.00 0.36 0.00 0.00 54.97 56.87 2wms s GLU 161 Cb -0.15 -3.30 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 2wms s GLU 161 CO -0.00 0.13 -0.06 1.03 -0.54 0.00 0.00 175.26 175.82 2wms s ARG 162 N -0.34 3.28 0.64 4.30 0.52 0.92 -5.00 118.95 123.27 2wms s ARG 162 Ca 0.48 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 2wms s ARG 162 Cb -0.28 -2.97 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 2wms s ARG 162 CO 0.34 -0.23 1.17 -0.51 0.02 0.00 0.00 175.30 176.09 2wms s LEU 163 N 1.45 3.50 -0.16 2.53 1.43 -1.26 -4.74 118.68 121.43 2wms s LEU 163 Ca 0.05 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 2wms s LEU 163 Cb -0.14 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 2wms s LEU 163 CO -0.04 -1.73 0.10 -0.76 0.23 0.00 0.00 176.35 174.15 2wms s LEU 164 N -4.55 4.10 -0.01 1.79 1.43 0.12 -4.84 118.68 116.72 2wms s LEU 164 Ca 0.73 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2wms s LEU 164 Cb -0.26 -2.02 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 2wms s LEU 164 CO 0.38 0.27 0.19 -0.46 0.23 0.00 0.00 176.35 176.96 2wms n ASN 165 N 2.88 2.97 -4.79 2.29 0.23 -1.26 -0.66 115.26 116.91 2wms n ASN 165 Ca -0.18 -0.03 -0.34 0.00 -0.53 0.00 0.00 54.58 53.51 2wms n ASN 165 Cb 0.53 1.37 0.00 0.00 -2.08 0.00 0.00 39.78 39.60 2wms n ASN 165 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wms s LYS 166 N -2.55 3.36 -0.25 -3.83 1.02 -1.26 -4.82 119.74 111.42 2wms s LYS 166 Ca -0.03 1.39 -0.08 0.00 0.02 0.00 0.00 55.97 57.27 2wms s LYS 166 Cb 0.05 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2wms s LYS 166 CO 0.35 -0.80 0.10 -1.64 -0.92 0.00 0.00 175.35 172.44 2wms s MET 167 N -3.64 3.80 0.08 1.68 -1.94 -1.26 -5.08 119.30 112.94 2wms s MET 167 Ca 0.68 -0.40 0.01 0.00 -1.71 0.00 0.00 55.69 54.26 2wms s MET 167 Cb -0.19 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.21 2wms s MET 167 CO 0.30 -0.10 -0.06 0.00 -0.01 0.00 0.00 175.02 175.16 2wms n GLY 169 N 0.22 0.23 2.70 0.00 0.00 -1.25 -4.94 105.19 102.15 2wms n GLY 169 Ca -0.14 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.62 2wms n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wms s THR 170 N 0.00 0.03 0.29 2.61 2.01 -1.26 -5.05 115.64 114.26 2wms s THR 170 Ca 0.00 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 2wms s THR 170 Cb 0.00 -0.27 0.42 0.00 0.01 0.00 0.00 72.50 72.66 2wms s THR 170 CO 0.00 0.19 1.52 0.18 -0.69 0.00 0.00 174.62 175.82 2wms n LEU 171 N 5.26 -0.21 0.03 4.42 4.77 -1.26 -1.12 117.00 128.89 2wms n LEU 171 Ca -0.04 1.66 -0.02 0.00 -0.03 0.00 0.00 56.01 57.58 2wms n LEU 171 Cb 0.50 -0.56 0.25 0.00 -2.33 0.00 0.00 43.42 41.28 2wms n LEU 171 CO 0.07 -1.64 0.79 -0.65 -1.33 0.00 0.00 177.39 174.64 2wms h PRO 172 N 0.00 0.44 0.00 3.23 0.11 -1.77 -3.08 132.00 130.93 2wms h PRO 172 Ca 0.54 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2wms h PRO 172 Cb 1.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2wms h PRO 172 CO -0.95 0.61 -0.43 0.66 -0.21 0.00 0.00 178.00 177.69 2wms n TYR 173 N -4.17 0.33 -2.37 0.65 4.01 -0.28 -4.81 117.16 110.52 2wms n TYR 173 Ca -0.00 0.10 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 2wms n TYR 173 Cb 0.36 -0.53 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 2wms n TYR 173 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wms s VAL 174 N -3.08 3.31 0.39 -0.72 0.11 -0.97 -3.43 120.40 116.01 2wms s VAL 174 Ca 0.09 1.13 -0.26 0.00 -2.93 0.00 0.00 61.98 60.01 2wms s VAL 174 Cb 0.15 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.27 2wms s VAL 174 CO 0.67 0.13 1.21 0.00 -3.33 0.00 0.00 175.10 173.78 2wms s ALA 175 N -1.40 3.21 0.28 1.54 0.00 -1.26 -4.57 121.76 119.55 2wms s ALA 175 Ca 0.54 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 2wms s ALA 175 Cb -0.30 -3.41 0.44 0.00 0.00 0.00 0.00 23.12 19.85 2wms s ALA 175 CO 0.38 -0.61 1.89 -1.00 0.00 0.00 0.00 175.76 176.41 2wms h PRO 176 N 2.73 1.11 -0.05 0.00 0.13 -1.88 -2.52 132.00 131.52 2wms h PRO 176 Ca -0.49 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2wms h PRO 176 Cb 1.24 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wms h PRO 176 CO 0.63 0.73 0.04 1.05 -0.23 0.00 0.00 178.00 180.22 2wms h GLU 177 N 1.14 0.00 0.00 0.86 9.09 -1.91 0.19 114.58 123.95 2wms h GLU 177 Ca 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.82 2wms h GLU 177 Cb 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2wms h GLU 177 CO -0.17 0.00 -0.11 1.25 0.05 0.00 0.00 179.01 180.03 2wms h LEU 178 N 0.00 0.00 0.00 3.06 6.46 -1.76 -0.80 115.31 122.28 2wms h LEU 178 Ca 0.02 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 2wms h LEU 178 Cb 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2wms h LEU 178 CO -0.00 0.11 -1.01 -0.07 -0.62 0.00 0.00 178.44 176.84 2wms h LEU 179 N 0.00 0.00 -1.17 2.25 3.38 -1.07 -3.40 115.31 115.31 2wms h LEU 179 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wms h LEU 179 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wms h LEU 179 CO 0.01 0.28 0.00 2.29 0.09 0.00 0.00 178.44 181.11 2wms n LYS 180 N -2.86 -0.20 -4.86 1.13 2.85 -1.11 -5.05 118.16 108.06 2wms n LYS 180 Ca -0.03 -0.58 -0.26 0.00 -1.05 0.00 0.00 58.31 56.39 2wms n LYS 180 Cb 0.68 -0.91 -0.15 0.00 -0.65 0.00 0.00 35.03 34.00 2wms n LYS 180 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wms s ARG 181 N -0.15 1.52 0.18 -1.58 0.52 -0.32 -5.04 118.95 114.08 2wms s ARG 181 Ca 0.00 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.35 2wms s ARG 181 Cb 0.00 -1.51 0.10 0.00 0.52 0.00 0.00 34.95 34.06 2wms s ARG 181 CO 0.00 0.41 1.73 -0.09 0.02 0.00 0.00 175.30 177.37 2wms h ARG 182 N 5.44 1.01 -4.25 3.54 2.43 -1.93 -3.45 114.38 117.16 2wms h ARG 182 Ca -0.39 -0.20 -0.18 0.00 -0.81 0.00 0.00 59.98 58.39 2wms h ARG 182 Cb 1.15 -0.15 -0.19 0.00 -0.42 0.00 0.00 29.97 30.36 2wms h ARG 182 CO 0.47 0.86 -0.70 -1.21 -1.51 0.00 0.00 179.97 177.88 2wms s GLU 183 N -5.47 0.50 0.19 0.20 2.02 -1.26 -4.29 118.70 110.59 2wms s GLU 183 Ca -0.13 -0.90 -0.20 0.00 0.02 0.00 0.00 54.97 53.76 2wms s GLU 183 Cb 0.14 0.02 0.04 0.00 0.10 0.00 0.00 34.13 34.43 2wms s GLU 183 CO 0.82 -0.04 0.59 -0.59 0.02 0.00 0.00 175.26 176.05 2wms s PHE 184 N -2.39 -0.31 0.29 1.61 -0.12 0.16 -4.93 117.98 112.30 2wms s PHE 184 Ca -0.05 -0.01 -0.28 0.00 -0.05 0.00 0.00 56.93 56.54 2wms s PHE 184 Cb -0.03 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.78 2wms s PHE 184 CO -0.04 -0.94 1.04 -1.01 -0.05 0.00 0.00 175.22 174.22 2wms s HIS 185 N -3.83 3.62 0.08 3.49 3.76 -1.26 0.16 115.29 121.32 2wms s HIS 185 Ca 0.06 1.75 -0.16 0.00 -0.15 0.00 0.00 55.06 56.56 2wms s HIS 185 Cb -0.02 -3.16 -0.11 0.00 1.11 0.00 0.00 32.58 30.40 2wms s HIS 185 CO -0.05 -0.28 1.37 0.00 -0.85 0.00 0.00 174.74 174.93 2wms h ALA 186 N 3.61 0.35 0.03 -1.40 0.00 -1.95 -3.36 119.26 116.55 2wms h ALA 186 Ca -0.47 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 2wms h ALA 186 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wms h ALA 186 CO 0.66 0.39 -0.02 0.93 0.00 0.00 0.00 179.25 181.22 2wms h GLU 187 N 0.33 -0.04 0.00 0.00 5.08 -1.99 -2.33 114.58 115.63 2wms h GLU 187 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wms h GLU 187 Cb 0.90 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2wms h GLU 187 CO 0.08 -0.01 -0.01 -1.35 -1.00 0.00 0.00 179.01 176.72 2wms h PRO 188 N -0.07 0.00 -0.18 2.33 0.11 -1.91 -1.87 132.00 130.41 2wms h PRO 188 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2wms h PRO 188 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 2wms h PRO 188 CO 0.01 0.01 -0.17 0.28 -0.21 0.00 0.00 178.00 177.91 2wms h VAL 189 N 0.00 1.34 -0.29 3.15 2.07 -1.57 -1.04 116.25 119.90 2wms h VAL 189 Ca -0.00 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 2wms h VAL 189 Cb 0.21 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2wms h VAL 189 CO 0.00 0.40 -0.00 0.44 0.02 0.00 0.00 177.57 178.43 2wms h ASP 190 N 0.09 0.42 -0.11 0.57 3.32 -1.25 -2.79 116.42 116.67 2wms h ASP 190 Ca 0.03 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2wms h ASP 190 Cb 0.71 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 2wms h ASP 190 CO 0.04 0.48 -0.03 0.58 -1.72 0.00 0.00 179.24 178.60 2wms h VAL 191 N 0.43 1.30 -0.03 -1.35 2.07 -1.14 -2.38 116.25 115.14 2wms h VAL 191 Ca 0.10 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2wms h VAL 191 Cb 0.29 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2wms h VAL 191 CO 0.01 0.28 -0.39 -0.25 0.02 0.00 0.00 177.57 177.24 2wms h TRP 192 N -0.12 -1.11 -0.85 1.57 2.91 -1.13 -1.80 115.95 115.42 2wms h TRP 192 Ca 0.03 0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.23 2wms h TRP 192 Cb 0.46 0.49 -0.06 0.00 -0.51 0.00 0.00 29.16 29.54 2wms h TRP 192 CO 0.06 -0.47 0.55 0.66 -1.03 0.00 0.00 178.44 178.21 2wms h SER 193 N -0.53 0.58 -0.12 2.65 4.64 -1.50 0.96 113.55 120.23 2wms h SER 193 Ca 0.06 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2wms h SER 193 Cb 0.62 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2wms h SER 193 CO -0.33 0.30 -0.11 0.00 -0.87 0.00 0.00 176.83 175.82 2wms h GLY 195 N 0.89 1.04 1.57 0.00 0.00 -0.05 -0.68 103.07 105.85 2wms h GLY 195 Ca 0.08 -0.94 -0.05 0.00 0.00 0.00 0.00 47.33 46.42 2wms h GLY 195 CO 0.03 0.86 -0.01 -2.22 0.00 0.00 0.00 176.54 175.19 2wms h ILE 196 N 0.80 1.20 -0.35 2.60 1.08 -0.88 -0.55 117.51 121.41 2wms h ILE 196 Ca 0.10 -0.80 -0.15 0.00 -0.39 0.00 0.00 64.86 63.61 2wms h ILE 196 Cb 0.81 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 2wms h ILE 196 CO 0.07 0.28 -0.38 0.58 -0.69 0.00 0.00 178.15 178.00 2wms h VAL 197 N 0.51 1.28 -0.53 1.67 2.07 -0.95 -1.63 116.25 118.67 2wms h VAL 197 Ca 0.11 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 2wms h VAL 197 Cb 0.34 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2wms h VAL 197 CO 0.01 0.51 0.10 0.25 0.02 0.00 0.00 177.57 178.46 2wms h LEU 198 N 0.69 0.83 -0.47 2.57 5.85 -0.59 -1.41 115.31 122.77 2wms h LEU 198 Ca 0.06 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.60 2wms h LEU 198 Cb 0.95 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2wms h LEU 198 CO 0.09 0.87 0.10 0.74 -0.34 0.00 0.00 178.44 179.90 2wms h THR 199 N 0.75 0.75 -0.01 1.05 2.02 -1.02 -1.56 112.91 114.89 2wms h THR 199 Ca 0.16 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 2wms h THR 199 Cb 0.39 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2wms h THR 199 CO 0.01 0.04 -0.25 0.00 0.37 0.00 0.00 175.52 175.69 2wms h ALA 200 N 1.36 1.57 0.01 6.16 0.00 -0.82 0.75 119.26 128.29 2wms h ALA 200 Ca 0.23 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2wms h ALA 200 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wms h ALA 200 CO -0.30 0.32 -0.93 0.52 0.00 0.00 0.00 179.25 178.87 2wms h MET 201 N 0.01 0.05 0.00 0.00 2.07 -0.71 -2.46 114.93 113.88 2wms h MET 201 Ca -0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2wms h MET 201 Cb 0.45 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 2wms h MET 201 CO 0.03 0.94 -1.53 1.28 1.07 0.00 0.00 176.91 178.70 2wms n LEU 202 N -3.50 0.39 -0.00 1.22 4.77 -0.64 -0.72 117.00 118.53 2wms n LEU 202 Ca -0.01 0.14 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2wms n LEU 202 Cb 0.87 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.92 2wms n LEU 202 CO 0.47 -0.08 -0.48 0.00 -1.33 0.00 0.00 177.39 175.97 2wms n ALA 203 N -2.21 2.05 -0.99 -1.18 0.00 0.22 -4.69 120.51 113.72 2wms n ALA 203 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wms n ALA 203 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wms n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wms n GLY 204 N 2.33 0.78 3.09 0.00 0.00 -0.93 -2.81 105.19 107.65 2wms n GLY 204 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2wms n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wms s GLU 205 N -0.04 0.61 -0.10 1.61 -1.05 -1.26 -1.95 118.70 116.53 2wms s GLU 205 Ca 0.00 -1.12 -0.16 0.00 -0.15 0.00 0.00 54.97 53.54 2wms s GLU 205 Cb 0.00 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 2wms s GLU 205 CO 0.00 -0.07 0.39 -0.51 0.95 0.00 0.00 175.26 176.02 2wms s LEU 206 N -2.64 4.33 0.21 1.83 1.43 -1.26 -4.08 118.68 118.51 2wms s LEU 206 Ca 0.04 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.80 2wms s LEU 206 Cb 0.03 -2.55 0.17 0.00 0.03 0.00 0.00 46.19 43.87 2wms s LEU 206 CO -0.07 0.13 1.84 1.55 0.23 0.00 0.00 176.35 180.04 2wms h PRO 207 N 6.08 1.10 -3.85 1.29 0.13 -1.94 -3.46 132.00 131.35 2wms h PRO 207 Ca -0.44 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 2wms h PRO 207 Cb 1.19 -0.22 -0.13 0.00 0.13 0.00 0.00 31.00 31.97 2wms h PRO 207 CO 0.71 0.79 -0.31 1.67 -0.23 0.00 0.00 178.00 180.64 2wms s TRP 208 N -5.90 0.34 0.13 1.56 -2.14 -1.26 -4.74 118.94 106.93 2wms s TRP 208 Ca -0.13 -0.71 -0.14 0.00 2.66 0.00 0.00 56.10 57.79 2wms s TRP 208 Cb 0.15 -0.04 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 2wms s TRP 208 CO 0.80 -0.70 1.54 -0.44 -2.66 0.00 0.00 176.95 175.49 2wms h ASP 209 N 2.55 0.78 -5.02 -2.66 3.32 -1.93 -3.42 116.42 110.05 2wms h ASP 209 Ca -0.32 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 2wms h ASP 209 Cb 1.23 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 2wms h ASP 209 CO 0.49 0.95 0.10 0.00 -1.72 0.00 0.00 179.24 179.06 2wms s GLN 210 N -4.83 1.11 -1.39 3.56 -2.07 -1.26 -2.71 119.66 112.06 2wms s GLN 210 Ca -0.12 -0.26 -0.08 0.00 -1.82 0.00 0.00 55.36 53.07 2wms s GLN 210 Cb 0.10 0.51 0.08 0.00 -1.09 0.00 0.00 33.01 32.61 2wms s GLN 210 CO 0.82 -0.42 2.35 -0.35 -1.32 0.00 0.00 175.29 176.36 2wms n PRO 211 N 0.22 3.94 -4.28 9.60 -0.04 -1.26 -4.80 135.00 138.38 2wms n PRO 211 Ca -0.18 -3.12 -0.23 0.00 -0.04 0.00 0.00 63.50 59.93 2wms n PRO 211 Cb 0.61 -2.83 -0.12 0.00 -0.04 0.00 0.00 33.50 31.12 2wms n PRO 211 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wms s SER 212 N 1.21 2.40 0.55 3.54 1.04 -1.26 -4.53 113.70 116.65 2wms s SER 212 Ca 0.52 -0.67 0.24 0.00 0.48 0.00 0.00 55.95 56.53 2wms s SER 212 Cb 0.15 -0.13 1.50 0.00 0.10 0.00 0.00 66.02 67.64 2wms s SER 212 CO -0.06 0.04 2.10 0.44 0.98 0.00 0.00 173.24 176.74 2wms h ASP 213 N 4.13 0.00 0.09 7.02 5.19 -1.96 0.15 116.42 131.04 2wms h ASP 213 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2wms h ASP 213 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2wms h ASP 213 CO 0.40 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.98 2wms n SER 214 N -4.16 0.00 -4.35 6.45 3.41 -1.26 -4.57 113.62 109.14 2wms n SER 214 Ca 0.02 -0.06 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 2wms n SER 214 Cb 0.31 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2wms n SER 214 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wms h GLN 216 N 8.18 -0.28 -0.97 0.00 5.75 -1.85 -1.37 115.11 124.57 2wms h GLN 216 Ca -0.37 0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.31 2wms h GLN 216 Cb 1.15 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.68 2wms h GLN 216 CO 0.59 -0.19 0.61 0.93 -2.65 0.00 0.00 178.83 178.13 2wms h GLU 217 N -0.29 0.78 0.06 1.69 3.07 -1.94 0.16 114.58 118.10 2wms h GLU 217 Ca 0.07 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 58.62 2wms h GLU 217 Cb 0.39 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2wms h GLU 217 CO -0.22 0.51 -1.11 -0.92 -1.40 0.00 0.00 179.01 175.87 2wms h TYR 218 N 0.80 0.87 -0.43 4.33 3.20 -1.75 -2.92 116.97 121.08 2wms h TYR 218 Ca 0.51 -0.52 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2wms h TYR 218 Cb 0.74 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2wms h TYR 218 CO -0.00 1.36 0.20 0.77 -1.64 0.00 0.00 178.16 178.84 2wms h SER 219 N 0.28 0.53 -0.47 -2.11 0.02 -0.38 -1.41 113.55 110.01 2wms h SER 219 Ca -0.14 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2wms h SER 219 Cb 1.77 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.16 2wms h SER 219 CO 0.21 0.46 -0.08 0.44 -1.14 0.00 0.00 176.83 176.71 2wms h ASP 220 N 0.59 0.93 -0.18 3.07 3.45 -0.94 -1.63 116.42 121.71 2wms h ASP 220 Ca 0.15 -0.28 -0.08 0.00 0.43 0.00 0.00 57.03 57.24 2wms h ASP 220 Cb 0.07 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 2wms h ASP 220 CO -0.02 1.03 -0.21 -0.25 -1.57 0.00 0.00 179.24 178.22 2wms h TRP 221 N 0.85 0.56 0.00 4.55 2.91 -1.28 -0.09 115.95 123.44 2wms h TRP 221 Ca 0.14 -0.17 -0.00 0.00 1.13 0.00 0.00 58.89 59.98 2wms h TRP 221 Cb 0.61 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 2wms h TRP 221 CO 0.04 0.84 -0.01 0.87 -1.03 0.00 0.00 178.44 179.15 2wms h LYS 222 N 0.11 0.00 -0.01 2.65 1.57 -1.17 0.19 116.57 119.92 2wms h LYS 222 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wms h LYS 222 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2wms h LYS 222 CO 0.05 0.01 -0.29 0.39 -0.57 0.00 0.00 179.45 179.05 2wms n GLU 223 N -3.35 0.94 -1.76 3.15 1.02 -0.62 -4.96 120.64 115.06 2wms n GLU 223 Ca -0.03 -0.61 -0.08 0.00 -0.02 0.00 0.00 57.16 56.42 2wms n GLU 223 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 2wms n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wms n LYS 224 N -0.50 -0.62 -1.28 3.49 4.76 0.68 -4.92 118.16 119.78 2wms n LYS 224 Ca 0.12 0.57 -0.38 0.00 -2.87 0.00 0.00 58.31 55.75 2wms n LYS 224 Cb 0.37 -4.48 -0.03 0.00 -1.84 0.00 0.00 35.03 29.05 2wms n LYS 224 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wms n LYS 225 N -2.21 2.38 0.00 1.97 5.02 -0.15 -4.66 118.16 120.51 2wms n LYS 225 Ca -0.09 -2.06 0.12 0.00 -2.02 0.00 0.00 58.31 54.26 2wms n LYS 225 Cb 0.44 -2.93 0.65 0.00 -0.02 0.00 0.00 35.03 33.18 2wms n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wms n THR 226 N 5.00 0.16 0.79 -0.18 -2.24 -1.26 -2.52 114.28 114.04 2wms n THR 226 Ca 0.54 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.48 2wms n THR 226 Cb 0.32 -0.64 0.51 0.00 -2.10 0.00 0.00 70.33 68.41 2wms n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wms n TYR 227 N -1.20 0.16 -2.51 4.78 0.18 -1.26 -2.60 117.16 114.71 2wms n TYR 227 Ca 0.14 0.05 -0.23 0.00 1.88 0.00 0.00 57.90 59.74 2wms n TYR 227 Cb 0.16 -0.58 0.06 0.00 -0.38 0.00 0.00 39.34 38.60 2wms n TYR 227 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wms s LEU 228 N -3.27 3.09 0.42 -3.48 1.43 -1.05 -4.64 118.68 111.18 2wms s LEU 228 Ca 0.11 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 2wms s LEU 228 Cb 0.15 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.54 2wms s LEU 228 CO 0.46 -1.42 0.88 0.20 0.23 0.00 0.00 176.35 176.71 2wms s ASN 229 N -4.52 6.79 0.00 2.29 0.01 -1.26 -1.14 114.94 117.12 2wms s ASN 229 Ca 0.60 1.51 0.29 0.00 -0.71 0.00 0.00 52.86 54.54 2wms s ASN 229 Cb -0.09 -2.47 1.16 0.00 0.41 0.00 0.00 41.25 40.26 2wms s ASN 229 CO 0.41 -0.37 1.88 -0.81 -1.51 0.00 0.00 177.10 176.70 2wms n PRO 230 N -0.82 0.01 -0.03 -0.60 -0.04 -1.26 -4.88 135.00 127.38 2wms n PRO 230 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2wms n PRO 230 Cb 0.54 -1.51 0.43 0.00 -0.04 0.00 0.00 33.50 32.92 2wms n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wms h TRP 231 N 0.00 0.52 0.00 0.54 4.06 -1.70 -0.21 115.95 119.16 2wms h TRP 231 Ca 0.00 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 2wms h TRP 231 Cb 0.51 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 2wms h TRP 231 CO 0.00 0.31 -0.00 -0.22 -3.56 0.00 0.00 178.44 174.96 2wms h LYS 232 N 0.54 0.00 -0.03 0.49 3.64 -0.87 -1.36 116.57 118.98 2wms h LYS 232 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2wms h LYS 232 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2wms h LYS 232 CO -0.05 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.77 2wms n LYS 233 N -3.96 1.15 -4.77 1.90 5.02 -0.09 -4.86 118.16 112.55 2wms n LYS 233 Ca -0.03 -0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 55.72 2wms n LYS 233 Cb 0.09 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 2wms n LYS 233 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wms s ILE 234 N -1.96 2.27 0.78 -0.18 1.01 -0.51 -4.81 121.20 117.79 2wms s ILE 234 Ca 0.29 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2wms s ILE 234 Cb 0.14 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2wms s ILE 234 CO 0.23 0.54 0.83 -0.67 0.00 0.00 0.00 174.94 175.87 2wms n ASP 235 N 3.91 -0.20 0.21 3.58 -0.08 -1.26 -4.76 116.55 117.95 2wms n ASP 235 Ca -0.19 0.58 0.05 0.00 -1.51 0.00 0.00 54.79 53.71 2wms n ASP 235 Cb 0.52 -1.35 0.49 0.00 2.34 0.00 0.00 41.12 43.12 2wms n ASP 235 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2wms h SER 236 N -0.65 0.02 -0.01 1.67 4.64 -1.98 -2.06 113.55 115.19 2wms h SER 236 Ca -0.46 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2wms h SER 236 Cb 1.32 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2wms h SER 236 CO 0.44 0.20 -0.17 0.00 -0.87 0.00 0.00 176.83 176.42 2wms h ALA 237 N 1.81 0.03 0.00 5.18 0.00 -2.00 -1.71 119.26 122.57 2wms h ALA 237 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2wms h ALA 237 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wms h ALA 237 CO 0.02 0.02 -0.39 -1.35 0.00 0.00 0.00 179.25 177.56 2wms h PRO 238 N -0.55 0.00 0.00 0.00 0.11 -1.92 -2.92 132.00 126.72 2wms h PRO 238 Ca -0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2wms h PRO 238 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 2wms h PRO 238 CO 0.03 0.39 -0.55 1.25 -0.21 0.00 0.00 178.00 178.92 2wms h LEU 239 N 0.00 0.00 -1.22 2.35 5.85 -1.36 -2.01 115.31 118.92 2wms h LEU 239 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2wms h LEU 239 Cb 0.73 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2wms h LEU 239 CO 0.05 0.55 -0.34 0.00 -0.34 0.00 0.00 178.44 178.35 2wms h ALA 240 N 1.45 1.35 -0.07 1.25 0.00 -1.12 -1.18 119.26 120.94 2wms h ALA 240 Ca -0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2wms h ALA 240 Cb 0.99 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wms h ALA 240 CO 0.07 0.47 -0.75 1.25 0.00 0.00 0.00 179.25 180.29 2wms h LEU 241 N 0.08 0.50 -0.71 0.00 5.85 -1.32 -3.03 115.31 116.67 2wms h LEU 241 Ca 0.01 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 2wms h LEU 241 Cb 0.64 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2wms h LEU 241 CO 0.05 1.08 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.63 2wms h LEU 242 N 0.28 0.00 -1.45 2.25 3.38 -1.06 -0.83 115.31 117.88 2wms h LEU 242 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wms h LEU 242 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2wms h LEU 242 CO 0.13 0.53 -0.09 0.45 0.09 0.00 0.00 178.44 179.55 2wms h HIS 243 N 0.00 0.26 0.06 1.13 3.86 -1.15 0.38 115.15 119.70 2wms h HIS 243 Ca -0.01 -0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 58.91 2wms h HIS 243 Cb 1.09 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 2wms h HIS 243 CO 0.00 0.35 -1.36 0.87 0.86 0.00 0.00 177.93 178.64 2wms h LYS 244 N 0.25 0.12 0.02 2.45 1.57 -1.31 -3.39 116.57 116.29 2wms h LYS 244 Ca 0.05 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2wms h LYS 244 Cb 0.31 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2wms h LYS 244 CO 0.02 0.96 -0.23 0.82 -0.57 0.00 0.00 179.45 180.45 2wms h ILE 245 N 0.03 1.69 -0.33 1.86 2.04 -1.03 -2.49 117.51 119.28 2wms h ILE 245 Ca -0.16 -2.37 -0.26 0.00 1.00 0.00 0.00 64.86 63.07 2wms h ILE 245 Cb 1.93 3.28 -0.09 0.00 -0.74 0.00 0.00 36.82 41.20 2wms h ILE 245 CO 0.14 0.61 -0.05 0.18 0.00 0.00 0.00 178.15 179.02 2wms n LEU 246 N -4.51 5.70 -4.71 1.44 4.77 0.11 -4.69 117.00 115.10 2wms n LEU 246 Ca -0.12 -3.32 -0.38 0.00 -0.03 0.00 0.00 56.01 52.15 2wms n LEU 246 Cb 0.55 -1.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.29 2wms n LEU 246 CO 0.35 1.57 0.23 -0.69 -1.33 0.00 0.00 177.39 177.52 2wms s VAL 247 N -0.31 5.15 0.13 4.08 1.01 -1.26 -4.95 120.40 124.24 2wms s VAL 247 Ca 0.52 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 2wms s VAL 247 Cb 0.28 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2wms s VAL 247 CO -0.06 0.28 1.53 -0.08 0.00 0.00 0.00 175.10 176.77 2wms h GLU 248 N 6.88 0.81 -6.40 2.72 4.81 -1.95 -3.40 114.58 118.04 2wms h GLU 248 Ca -0.39 -0.32 -0.57 0.00 -0.13 0.00 0.00 59.36 57.95 2wms h GLU 248 Cb 1.18 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2wms h GLU 248 CO 0.75 0.94 1.00 1.21 -0.73 0.00 0.00 179.01 182.18 2wms s ASN 249 N -6.45 6.59 0.62 1.04 2.47 -1.26 -4.55 114.94 113.40 2wms s ASN 249 Ca -0.12 1.12 0.40 0.00 0.42 0.00 0.00 52.86 54.68 2wms s ASN 249 Cb 0.10 -2.54 2.01 0.00 -1.45 0.00 0.00 41.25 39.38 2wms s ASN 249 CO 0.83 -1.17 2.23 1.55 -3.72 0.00 0.00 177.10 176.81 2wms h PRO 250 N 9.66 0.00 0.00 0.43 0.13 -1.96 -0.41 132.00 139.85 2wms h PRO 250 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2wms h PRO 250 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2wms h PRO 250 CO 1.05 0.01 -0.21 0.77 -0.23 0.00 0.00 178.00 179.39 2wms h SER 251 N 0.00 0.00 0.65 1.44 0.02 -1.94 -3.22 113.55 110.50 2wms h SER 251 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2wms h SER 251 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2wms h SER 251 CO 0.00 0.20 -1.42 0.00 -1.14 0.00 0.00 176.83 174.47 2wms n ALA 252 N -2.15 2.29 -1.75 3.77 0.00 -0.30 -4.94 120.51 117.44 2wms n ALA 252 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 2wms n ALA 252 Cb 0.61 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 2wms n ALA 252 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wms n ARG 253 N -2.69 2.50 -1.72 0.00 0.63 -0.42 -4.93 116.66 110.04 2wms n ARG 253 Ca -0.06 0.88 -0.38 0.00 -0.92 0.00 0.00 57.85 57.36 2wms n ARG 253 Cb 0.70 -2.57 0.05 0.00 0.45 0.00 0.00 32.46 31.10 2wms n ARG 253 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2wms n ILE 254 N 0.53 4.18 -3.65 5.15 3.06 -0.94 -5.01 119.36 122.67 2wms n ILE 254 Ca 0.03 -0.50 -0.20 0.00 -2.50 0.00 0.00 62.75 59.58 2wms n ILE 254 Cb 0.38 -1.55 -0.02 0.00 0.54 0.00 0.00 39.64 38.99 2wms n ILE 254 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wms s THR 255 N -1.34 3.93 0.23 9.51 -4.23 -1.26 -4.94 115.64 117.54 2wms s THR 255 Ca 0.76 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.03 2wms s THR 255 Cb -0.41 -3.34 0.20 0.00 1.34 0.00 0.00 72.50 70.29 2wms s THR 255 CO 0.46 -0.18 1.88 0.40 -0.54 0.00 0.00 174.62 176.65 2wms h ILE 256 N 1.07 1.24 -0.68 2.99 2.04 -1.97 -0.12 117.51 122.08 2wms h ILE 256 Ca -0.46 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 64.95 2wms h ILE 256 Cb 1.25 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2wms h ILE 256 CO 0.56 0.25 0.45 -0.65 0.00 0.00 0.00 178.15 178.75 2wms h PRO 257 N 1.21 0.76 0.00 2.37 0.11 -1.99 -1.83 132.00 132.63 2wms h PRO 257 Ca 0.32 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.19 2wms h PRO 257 Cb -0.08 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.84 2wms h PRO 257 CO -0.06 0.50 -0.93 -0.44 -0.21 0.00 0.00 178.00 176.86 2wms h ASP 258 N 0.78 0.00 -0.99 -2.05 3.45 -1.66 -2.97 116.42 112.98 2wms h ASP 258 Ca 0.28 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.80 2wms h ASP 258 Cb 0.13 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.83 2wms h ASP 258 CO -0.08 0.93 0.64 0.40 -1.57 0.00 0.00 179.24 179.56 2wms h ILE 259 N 0.00 1.09 0.00 0.35 2.04 -0.78 -2.23 117.51 117.99 2wms h ILE 259 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2wms h ILE 259 Cb 1.67 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2wms h ILE 259 CO 0.12 0.21 0.00 0.29 0.00 0.00 0.00 178.15 178.77 2wms n LYS 260 N -4.51 0.08 0.00 2.37 5.02 -0.71 -1.37 118.16 119.04 2wms n LYS 260 Ca 0.15 0.50 0.06 0.00 -2.02 0.00 0.00 58.31 57.01 2wms n LYS 260 Cb 0.17 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2wms n LYS 260 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wms n LYS 261 N -1.91 1.27 -2.06 1.97 5.02 -0.85 -4.80 118.16 116.79 2wms n LYS 261 Ca 0.00 -1.02 -0.38 0.00 -2.02 0.00 0.00 58.31 54.89 2wms n LYS 261 Cb 0.07 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2wms n LYS 261 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wms s ASP 262 N -1.27 5.92 0.17 4.39 -1.08 -0.47 -4.90 116.67 119.44 2wms s ASP 262 Ca 0.13 2.53 -0.13 0.00 -0.52 0.00 0.00 52.55 54.56 2wms s ASP 262 Cb 0.10 -2.62 0.07 0.00 -1.46 0.00 0.00 42.92 39.01 2wms s ASP 262 CO 0.22 -1.10 1.78 -0.09 0.52 0.00 0.00 175.17 176.49 2wms h ARG 263 N 2.01 0.80 -0.31 4.34 2.43 -1.93 -2.13 114.38 119.60 2wms h ARG 263 Ca -0.50 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 58.45 2wms h ARG 263 Cb 1.26 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2wms h ARG 263 CO 0.60 0.62 -0.32 2.35 -1.51 0.00 0.00 179.97 181.71 2wms h TRP 264 N 0.77 0.77 -0.81 2.20 7.01 -1.93 -2.00 115.95 121.96 2wms h TRP 264 Ca 0.20 -0.20 0.07 0.00 2.11 0.00 0.00 58.89 61.07 2wms h TRP 264 Cb 0.06 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 26.88 2wms h TRP 264 CO -0.01 0.90 0.49 -0.92 -2.79 0.00 0.00 178.44 176.11 2wms h TYR 265 N 0.57 0.90 -0.57 2.65 5.03 -1.78 -2.55 116.97 121.22 2wms h TYR 265 Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2wms h TYR 265 Cb 0.82 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2wms h TYR 265 CO 0.04 0.44 0.00 0.09 -1.32 0.00 0.00 178.16 177.41 2wms n ASN 266 N -4.67 3.88 -4.67 -2.11 3.02 -0.83 -4.93 115.26 104.95 2wms n ASN 266 Ca 0.12 -2.28 -0.42 0.00 -0.03 0.00 0.00 54.58 51.97 2wms n ASN 266 Cb 0.19 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2wms n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wms s LYS 267 N -1.64 4.32 -0.04 3.52 2.20 -0.76 -5.01 119.74 122.32 2wms s LYS 267 Ca 0.43 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.81 2wms s LYS 267 Cb 0.26 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 2wms s LYS 267 CO 0.23 -0.32 1.60 -2.14 -0.36 0.00 0.00 175.35 174.35 2wms s PRO 268 N 2.12 4.20 -0.02 4.03 0.02 -1.26 -5.00 135.00 139.09 2wms s PRO 268 Ca 0.40 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.61 2wms s PRO 268 Cb -0.17 -3.87 -0.01 0.00 0.02 0.00 0.00 34.50 30.47 2wms s PRO 268 CO 0.13 -0.79 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.34 2wms s LEU 269 N 3.63 1.97 0.00 -5.54 1.43 -1.26 -5.15 118.68 113.76 2wms s LEU 269 Ca 0.71 -0.30 0.24 0.00 -1.03 0.00 0.00 54.13 53.76 2wms s LEU 269 Cb -0.33 -0.85 0.29 0.00 0.03 0.00 0.00 46.19 45.33 2wms s LEU 269 CO 0.29 0.17 1.32 2.29 0.23 0.00 0.00 176.35 180.64