#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3i s GLU 3 N 0.00 1.22 -0.14 0.54 2.02 -0.23 -4.93 118.70 117.18 1w3i s GLU 3 Ca 0.00 -1.40 -0.02 0.00 0.02 0.00 0.00 54.97 53.57 1w3i s GLU 3 Cb 0.00 -1.19 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1w3i s GLU 3 CO 0.00 0.23 -0.09 0.42 0.02 0.00 0.00 175.26 175.84 1w3i s ILE 4 N -2.24 3.44 -0.10 -1.63 -1.09 -1.26 -1.78 121.20 116.54 1w3i s ILE 4 Ca 0.15 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 1w3i s ILE 4 Cb -0.05 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1w3i s ILE 4 CO 0.06 0.51 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.41 1w3i s ILE 5 N 0.33 2.07 -0.21 2.92 1.01 -0.08 -1.23 121.20 126.01 1w3i s ILE 5 Ca -0.08 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 1w3i s ILE 5 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1w3i s ILE 5 CO 0.04 0.56 0.37 -0.89 0.00 0.00 0.00 174.94 175.03 1w3i s THR 6 N 0.33 5.21 -0.81 2.92 2.01 -0.78 -0.87 115.64 123.65 1w3i s THR 6 Ca -0.19 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.21 1w3i s THR 6 Cb -0.18 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.67 1w3i s THR 6 CO 0.09 0.25 1.28 -2.16 -0.69 0.00 0.00 174.62 173.38 1w3i s PRO 7 N 1.38 3.31 0.22 4.92 0.04 -1.26 -0.39 135.00 143.22 1w3i s PRO 7 Ca 0.18 -0.63 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 1w3i s PRO 7 Cb -0.15 -4.54 -0.09 0.00 0.04 0.00 0.00 34.50 29.76 1w3i s PRO 7 CO 0.08 -2.10 1.25 -1.50 0.04 0.00 0.00 177.00 174.76 1w3i s ILE 8 N 5.16 3.29 0.38 0.56 2.07 -0.69 -4.43 121.20 127.53 1w3i s ILE 8 Ca 0.36 1.12 -0.28 0.00 -1.41 0.00 0.00 60.65 60.44 1w3i s ILE 8 Cb -0.07 -3.71 -0.10 0.00 0.13 0.00 0.00 42.46 38.70 1w3i s ILE 8 CO 0.06 0.20 1.42 -0.63 -1.91 0.00 0.00 174.94 174.08 1w3i s ILE 9 N -0.26 2.27 -0.34 2.00 1.01 -1.26 -3.37 121.20 121.24 1w3i s ILE 9 Ca 0.53 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.27 1w3i s ILE 9 Cb -0.35 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1w3i s ILE 9 CO 0.40 0.06 0.49 -0.89 0.00 0.00 0.00 174.94 174.99 1w3i s THR 10 N -1.15 5.05 0.05 2.92 2.01 -1.26 -4.93 115.64 118.33 1w3i s THR 10 Ca 0.53 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 1w3i s THR 10 Cb -0.44 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1w3i s THR 10 CO 0.59 -0.17 0.77 -2.16 -0.69 0.00 0.00 174.62 172.96 1w3i s PRO 11 N 2.32 4.51 0.14 4.92 0.04 -1.26 -4.81 135.00 140.85 1w3i s PRO 11 Ca 0.18 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1w3i s PRO 11 Cb -0.16 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1w3i s PRO 11 CO 0.13 0.30 -0.10 -0.06 0.04 0.00 0.00 177.00 177.30 1w3i s PHE 12 N -0.11 2.67 0.92 0.56 0.40 -0.59 -0.49 117.98 121.34 1w3i s PHE 12 Ca 0.39 -0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.38 1w3i s PHE 12 Cb -0.21 -1.36 0.15 0.00 0.51 0.00 0.00 43.02 42.11 1w3i s PHE 12 CO 0.23 0.46 1.21 0.95 0.70 0.00 0.00 175.22 178.77 1w3i s THR 13 N -1.42 1.96 0.53 0.64 -4.23 0.86 -1.25 115.64 112.73 1w3i s THR 13 Ca 0.23 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.94 1w3i s THR 13 Cb -0.10 -2.89 0.32 0.00 1.34 0.00 0.00 72.50 71.17 1w3i s THR 13 CO 0.14 0.00 2.11 0.50 -0.54 0.00 0.00 174.62 176.83 1w3i h LYS 14 N -1.49 0.00 -0.77 3.99 3.64 -1.97 -1.48 116.57 118.49 1w3i h LYS 14 Ca -0.47 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.76 1w3i h LYS 14 Cb 1.30 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.02 1w3i h LYS 14 CO 0.53 0.00 0.20 -0.40 -2.27 0.00 0.00 179.45 177.51 1w3i n ASP 15 N -4.41 4.58 -2.00 4.20 3.85 -1.26 -4.94 116.55 116.56 1w3i n ASP 15 Ca 0.01 -3.01 -0.15 0.00 -0.71 0.00 0.00 54.79 50.94 1w3i n ASP 15 Cb 0.25 -0.71 0.02 0.00 -1.35 0.00 0.00 41.12 39.33 1w3i n ASP 15 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1w3i n ASN 16 N 0.02 -4.52 -4.68 -1.12 5.15 -0.56 -5.03 115.26 104.53 1w3i n ASN 16 Ca 0.34 -0.17 -0.25 0.00 -0.60 0.00 0.00 54.58 53.90 1w3i n ASN 16 Cb 1.23 -3.42 -0.07 0.00 -0.53 0.00 0.00 39.78 36.99 1w3i n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1w3i s ARG 17 N -5.22 2.44 0.14 1.20 0.52 -1.26 -4.89 118.95 111.87 1w3i s ARG 17 Ca 0.18 -1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 1w3i s ARG 17 Cb -0.08 -2.32 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 1w3i s ARG 17 CO 0.22 0.42 1.50 0.42 0.02 0.00 0.00 175.30 177.87 1w3i s ILE 18 N -1.97 2.93 -0.92 1.52 1.01 -1.26 -0.10 121.20 122.40 1w3i s ILE 18 Ca 0.29 0.65 -0.19 0.00 0.00 0.00 0.00 60.65 61.41 1w3i s ILE 18 Cb -0.08 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.10 1w3i s ILE 18 CO 0.20 0.05 1.12 -0.62 0.00 0.00 0.00 174.94 175.68 1w3i s ASP 19 N 1.18 6.62 0.28 3.58 -1.08 0.35 -4.79 116.67 122.82 1w3i s ASP 19 Ca 0.68 -2.04 -0.01 0.00 -0.52 0.00 0.00 52.55 50.66 1w3i s ASP 19 Cb -0.41 -2.40 0.40 0.00 -1.46 0.00 0.00 42.92 39.06 1w3i s ASP 19 CO 0.31 -1.06 1.82 0.11 0.52 0.00 0.00 175.17 176.87 1w3i h LYS 20 N 8.82 0.82 -0.41 4.34 1.57 -1.92 -1.87 116.57 127.93 1w3i h LYS 20 Ca 0.15 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1w3i h LYS 20 Cb 1.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1w3i h LYS 20 CO 1.10 0.74 -0.24 0.93 -0.57 0.00 0.00 179.45 181.42 1w3i h GLU 21 N 0.79 0.83 -0.37 3.15 4.39 -1.98 -1.28 114.58 120.12 1w3i h GLU 21 Ca 0.17 -0.35 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1w3i h GLU 21 Cb 0.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1w3i h GLU 21 CO -0.00 0.98 -0.24 0.87 -1.16 0.00 0.00 179.01 179.47 1w3i h LYS 22 N 0.72 0.73 -0.71 2.33 1.57 -1.84 -2.42 116.57 116.95 1w3i h LYS 22 Ca 0.09 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1w3i h LYS 22 Cb 0.77 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1w3i h LYS 22 CO 0.06 0.90 0.20 1.25 -0.57 0.00 0.00 179.45 181.30 1w3i h LEU 23 N 0.64 1.05 -0.78 2.94 5.85 -1.03 -1.98 115.31 122.00 1w3i h LEU 23 Ca 0.09 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1w3i h LEU 23 Cb 0.74 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1w3i h LEU 23 CO 0.06 0.98 0.01 0.11 -0.34 0.00 0.00 178.44 179.26 1w3i h LYS 24 N 1.07 0.93 -0.52 1.25 1.57 -1.03 0.36 116.57 120.20 1w3i h LYS 24 Ca 0.23 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1w3i h LYS 24 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1w3i h LYS 24 CO -0.00 0.92 -0.04 0.82 -0.57 0.00 0.00 179.45 180.57 1w3i h ILE 25 N 0.86 1.26 -0.07 1.86 2.04 -1.15 -0.83 117.51 121.48 1w3i h ILE 25 Ca 0.16 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1w3i h ILE 25 Cb 0.50 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1w3i h ILE 25 CO 0.02 0.40 -0.00 -0.74 0.00 0.00 0.00 178.15 177.84 1w3i h HIS 26 N 0.84 0.14 -0.56 1.37 2.76 -1.13 -2.61 115.15 115.95 1w3i h HIS 26 Ca 0.15 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1w3i h HIS 26 Cb 0.56 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1w3i h HIS 26 CO 0.03 0.40 0.29 0.00 -1.30 0.00 0.00 177.93 177.35 1w3i h ALA 27 N 0.73 0.73 -0.64 5.26 0.00 -0.75 -1.17 119.26 123.41 1w3i h ALA 27 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1w3i h ALA 27 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1w3i h ALA 27 CO 0.00 0.27 0.35 1.49 0.00 0.00 0.00 179.25 181.37 1w3i h GLU 28 N 0.76 0.89 -0.31 0.00 4.81 -1.21 -2.05 114.58 117.48 1w3i h GLU 28 Ca 0.20 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1w3i h GLU 28 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1w3i h GLU 28 CO -0.03 0.67 0.18 -0.97 -0.73 0.00 0.00 179.01 178.14 1w3i h ASN 29 N 0.88 0.38 -0.30 1.04 -1.24 -1.03 -0.65 115.58 114.66 1w3i h ASN 29 Ca 0.23 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.21 1w3i h ASN 29 Cb 0.04 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1w3i h ASN 29 CO -0.04 0.33 0.08 -0.07 -1.29 0.00 0.00 177.43 176.45 1w3i h LEU 30 N 0.39 0.06 -0.59 0.34 3.38 -0.98 -0.38 115.31 117.54 1w3i h LEU 30 Ca 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1w3i h LEU 30 Cb 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1w3i h LEU 30 CO -0.02 0.07 0.20 0.40 0.09 0.00 0.00 178.44 179.18 1w3i h ILE 31 N 0.20 1.24 0.00 1.22 1.08 -1.18 -2.15 117.51 117.92 1w3i h ILE 31 Ca 0.13 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1w3i h ILE 31 Cb 0.12 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1w3i h ILE 31 CO -0.16 0.30 -0.10 0.03 -0.69 0.00 0.00 178.15 177.54 1w3i h ARG 32 N 0.82 0.00 -0.34 2.37 3.08 -0.65 -1.90 114.38 117.76 1w3i h ARG 32 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1w3i h ARG 32 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1w3i h ARG 32 CO -0.01 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.62 1w3i n LYS 33 N -3.39 2.03 0.00 0.04 5.02 -0.19 -4.94 118.16 116.73 1w3i n LYS 33 Ca -0.01 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 1w3i n LYS 33 Cb 0.27 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1w3i n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w3i n GLY 34 N 1.25 0.88 3.74 0.72 0.00 -0.71 -4.65 105.19 106.42 1w3i n GLY 34 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1w3i n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w3i s ILE 35 N -2.00 2.50 0.06 -0.61 -1.09 -0.86 -4.87 121.20 114.33 1w3i s ILE 35 Ca 0.00 0.40 -0.15 0.00 -2.23 0.00 0.00 60.65 58.68 1w3i s ILE 35 Cb 0.00 -3.26 -0.25 0.00 -1.58 0.00 0.00 42.46 37.37 1w3i s ILE 35 CO 0.00 0.06 1.15 0.44 -1.23 0.00 0.00 174.94 175.36 1w3i h ASP 36 N 5.37 0.89 -5.10 3.58 3.32 -1.51 -3.42 116.42 119.54 1w3i h ASP 36 Ca -0.45 -0.77 -0.05 0.00 0.02 0.00 0.00 57.03 55.78 1w3i h ASP 36 Cb 1.22 -0.27 -0.12 0.00 0.22 0.00 0.00 39.33 40.37 1w3i h ASP 36 CO 0.81 1.55 -0.07 -0.54 -1.72 0.00 0.00 179.24 179.27 1w3i s LYS 37 N -3.19 1.19 -0.09 3.56 1.02 -1.24 -4.91 119.74 116.07 1w3i s LYS 37 Ca -0.10 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.11 1w3i s LYS 37 Cb 0.06 0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1w3i s LYS 37 CO 0.92 -0.48 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.13 1w3i s LEU 38 N -2.85 2.14 -0.34 3.17 1.43 0.45 -1.86 118.68 120.81 1w3i s LEU 38 Ca 0.07 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1w3i s LEU 38 Cb 0.01 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1w3i s LEU 38 CO -0.07 0.19 0.20 0.12 0.23 0.00 0.00 176.35 177.02 1w3i s PHE 39 N 0.16 3.21 -0.13 0.29 5.36 0.47 -0.41 117.98 126.94 1w3i s PHE 39 Ca -0.13 -0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 55.23 1w3i s PHE 39 Cb -0.16 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.05 1w3i s PHE 39 CO 0.07 -0.49 0.00 0.08 -1.46 0.00 0.00 175.22 173.42 1w3i s VAL 40 N 1.63 4.30 -0.52 3.12 1.01 -0.26 -1.70 120.40 127.98 1w3i s VAL 40 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1w3i s VAL 40 Cb -0.18 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1w3i s VAL 40 CO 0.08 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.30 1w3i n ASN 41 N 2.91 -2.47 -2.17 3.32 3.02 -1.26 -0.97 115.26 117.63 1w3i n ASN 41 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1w3i n ASN 41 Cb 0.53 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 1w3i n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w3i n GLY 42 N -1.06 -0.68 0.14 7.41 0.00 -1.26 -3.90 105.19 105.84 1w3i n GLY 42 Ca -0.07 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1w3i n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1w3i h THR 43 N -0.65 1.14 0.00 2.61 2.02 -1.95 0.38 112.91 116.46 1w3i h THR 43 Ca 0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1w3i h THR 43 Cb 0.00 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1w3i h THR 43 CO 0.00 0.14 -0.09 0.74 0.37 0.00 0.00 175.52 176.69 1w3i h THR 44 N 0.30 1.02 -0.20 3.16 2.02 -1.89 0.25 112.91 117.56 1w3i h THR 44 Ca 0.09 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1w3i h THR 44 Cb 0.11 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1w3i h THR 44 CO -0.01 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1w3i n GLY 45 N -1.27 0.00 3.35 2.16 0.00 -0.87 -4.38 105.19 104.19 1w3i n GLY 45 Ca -0.03 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1w3i n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w3i n LEU 46 N 0.11 -2.29 -0.23 0.99 4.77 0.08 -4.19 117.00 116.23 1w3i n LEU 46 Ca 0.09 -0.43 0.03 0.00 -0.03 0.00 0.00 56.01 55.67 1w3i n LEU 46 Cb 0.20 -2.59 0.13 0.00 -2.33 0.00 0.00 43.42 38.82 1w3i n LEU 46 CO 0.06 0.28 0.83 1.23 -1.33 0.00 0.00 177.39 178.46 1w3i h GLY 47 N -1.46 0.74 2.00 -0.72 0.00 -1.05 0.31 103.07 102.89 1w3i h GLY 47 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1w3i h GLY 47 CO 0.57 -0.24 0.00 -2.55 0.00 0.00 0.00 176.54 174.33 1w3i h PRO 48 N 0.12 0.00 -0.01 4.80 0.11 -1.83 -1.61 132.00 133.58 1w3i h PRO 48 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1w3i h PRO 48 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1w3i h PRO 48 CO -0.59 0.00 -0.27 0.43 -0.21 0.00 0.00 178.00 177.36 1w3i n SER 49 N -2.72 1.08 -4.83 -2.05 7.64 0.11 -4.90 113.62 107.96 1w3i n SER 49 Ca -0.02 -0.93 -0.37 0.00 1.01 0.00 0.00 58.87 58.57 1w3i n SER 49 Cb 0.09 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 1w3i n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1w3i s LEU 50 N -2.50 4.34 0.86 -3.43 1.43 -0.61 -5.10 118.68 113.68 1w3i s LEU 50 Ca 0.24 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 1w3i s LEU 50 Cb 0.19 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1w3i s LEU 50 CO 0.53 0.32 1.10 -0.94 0.23 0.00 0.00 176.35 177.58 1w3i s SER 51 N -0.56 3.64 0.27 2.29 1.04 -1.26 -4.76 113.70 114.34 1w3i s SER 51 Ca 0.14 1.80 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1w3i s SER 51 Cb -0.12 -2.43 0.54 0.00 0.10 0.00 0.00 66.02 64.11 1w3i s SER 51 CO 0.03 -2.58 1.77 -0.65 0.98 0.00 0.00 173.24 172.79 1w3i h PRO 52 N -1.51 0.65 -0.72 4.02 0.11 -1.96 -0.27 132.00 132.31 1w3i h PRO 52 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1w3i h PRO 52 Cb 1.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1w3i h PRO 52 CO 0.50 0.43 0.47 0.93 -0.21 0.00 0.00 178.00 180.11 1w3i h GLU 53 N 0.67 0.96 -0.36 1.05 3.07 -2.00 -1.30 114.58 116.67 1w3i h GLU 53 Ca 0.47 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 1w3i h GLU 53 Cb 0.64 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1w3i h GLU 53 CO -0.35 0.65 -0.28 0.93 -1.40 0.00 0.00 179.01 178.56 1w3i h GLU 54 N 0.98 0.76 -0.65 2.33 5.08 -1.66 -1.60 114.58 119.82 1w3i h GLU 54 Ca 0.26 -0.34 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1w3i h GLU 54 Cb -0.09 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1w3i h GLU 54 CO -0.05 0.95 0.34 0.87 -1.00 0.00 0.00 179.01 180.13 1w3i h LYS 55 N 0.65 0.61 -0.66 2.33 1.57 -0.65 -0.61 116.57 119.81 1w3i h LYS 55 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1w3i h LYS 55 Cb 0.81 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1w3i h LYS 55 CO 0.07 0.40 0.13 1.25 -0.57 0.00 0.00 179.45 180.73 1w3i h LEU 56 N 0.63 1.02 -0.83 2.94 5.85 -1.08 -2.59 115.31 121.25 1w3i h LEU 56 Ca 0.30 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1w3i h LEU 56 Cb 0.23 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1w3i h LEU 56 CO -0.21 0.99 0.54 -0.33 -0.34 0.00 0.00 178.44 179.09 1w3i h GLU 57 N 1.01 1.03 -0.30 1.25 5.08 -0.55 -0.66 114.58 121.43 1w3i h GLU 57 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1w3i h GLU 57 Cb 0.39 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1w3i h GLU 57 CO 0.01 0.68 0.20 -0.91 -1.00 0.00 0.00 179.01 177.98 1w3i h ASN 58 N 1.06 0.35 -0.48 1.42 2.35 -0.98 -1.10 115.58 118.20 1w3i h ASN 58 Ca 0.32 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1w3i h ASN 58 Cb -0.03 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1w3i h ASN 58 CO -0.10 0.27 0.28 0.25 -1.65 0.00 0.00 177.43 176.48 1w3i h LEU 59 N 0.40 0.58 -0.87 1.61 5.85 -1.05 -1.24 115.31 120.60 1w3i h LEU 59 Ca 0.11 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1w3i h LEU 59 Cb -0.03 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1w3i h LEU 59 CO -0.02 0.48 0.43 0.11 -0.34 0.00 0.00 178.44 179.10 1w3i h LYS 60 N 0.64 1.24 -0.25 1.25 1.57 -0.90 0.11 116.57 120.23 1w3i h LYS 60 Ca 0.17 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1w3i h LYS 60 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1w3i h LYS 60 CO -0.03 0.94 -0.08 0.00 -0.57 0.00 0.00 179.45 179.70 1w3i h ALA 61 N 1.23 0.34 -0.04 3.86 0.00 -0.97 -2.89 119.26 120.80 1w3i h ALA 61 Ca 0.30 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1w3i h ALA 61 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1w3i h ALA 61 CO -0.04 0.17 -0.62 0.28 0.00 0.00 0.00 179.25 179.04 1w3i h VAL 62 N 0.23 1.41 0.00 0.00 2.07 -0.90 -2.82 116.25 116.23 1w3i h VAL 62 Ca 0.06 -2.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 1w3i h VAL 62 Cb 0.57 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1w3i h VAL 62 CO 0.03 0.60 -0.11 0.22 0.02 0.00 0.00 177.57 178.33 1w3i h TYR 63 N 0.11 0.00 0.00 1.57 3.20 -0.71 -0.04 116.97 121.10 1w3i h TYR 63 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1w3i h TYR 63 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1w3i h TYR 63 CO 0.01 0.11 0.00 0.22 -1.64 0.00 0.00 178.16 176.86 1w3i h ASP 64 N 0.00 0.00 0.00 -2.11 3.58 -1.28 -3.27 116.42 113.33 1w3i h ASP 64 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 1w3i h ASP 64 Cb 0.45 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1w3i h ASP 64 CO 0.01 0.00 -2.22 0.52 -2.88 0.00 0.00 179.24 174.68 1w3i n VAL 65 N -2.92 1.21 -3.69 2.25 0.31 -0.13 -5.06 118.33 110.30 1w3i n VAL 65 Ca -0.00 -0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 1w3i n VAL 65 Cb 0.21 -1.49 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1w3i n VAL 65 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1w3i s THR 66 N -2.41 0.06 -2.21 2.52 -1.32 -0.60 -5.00 115.64 106.68 1w3i s THR 66 Ca -0.30 -0.48 0.22 0.00 -1.21 0.00 0.00 61.69 59.92 1w3i s THR 66 Cb 0.09 -0.91 0.52 0.00 -1.51 0.00 0.00 72.50 70.69 1w3i s THR 66 CO 0.44 -0.27 1.46 -0.46 -2.21 0.00 0.00 174.62 173.59 1w3i n ASN 67 N 0.63 3.37 -3.66 8.08 2.04 -1.26 -3.97 115.26 120.49 1w3i n ASN 67 Ca -0.19 -1.98 -0.41 0.00 -0.44 0.00 0.00 54.58 51.56 1w3i n ASN 67 Cb 0.59 -0.34 -0.01 0.00 -2.53 0.00 0.00 39.78 37.49 1w3i n ASN 67 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1w3i n LYS 68 N 1.38 3.34 -4.95 -3.83 4.76 -1.26 -3.73 118.16 113.87 1w3i n LYS 68 Ca 0.21 -2.81 -0.28 0.00 -2.87 0.00 0.00 58.31 52.56 1w3i n LYS 68 Cb 0.56 -3.05 -0.16 0.00 -1.84 0.00 0.00 35.03 30.53 1w3i n LYS 68 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1w3i s ILE 69 N 1.98 1.63 -0.26 -0.18 1.01 -1.26 -0.41 121.20 123.70 1w3i s ILE 69 Ca 0.50 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1w3i s ILE 69 Cb 0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1w3i s ILE 69 CO -0.06 0.46 0.12 -0.63 0.00 0.00 0.00 174.94 174.83 1w3i s ILE 70 N 0.19 4.71 -0.42 2.92 1.01 0.45 -1.21 121.20 128.86 1w3i s ILE 70 Ca -0.09 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.35 1w3i s ILE 70 Cb -0.14 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1w3i s ILE 70 CO 0.04 0.31 0.42 0.12 0.00 0.00 0.00 174.94 175.83 1w3i s PHE 71 N 1.63 3.18 -0.02 3.97 5.99 0.14 -1.10 117.98 131.77 1w3i s PHE 71 Ca 0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 56.93 56.34 1w3i s PHE 71 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 43.02 39.98 1w3i s PHE 71 CO 0.06 -0.68 0.92 -1.14 -0.00 0.00 0.00 175.22 174.39 1w3i s GLN 72 N 2.10 4.53 0.00 10.12 -0.44 -0.14 -0.21 119.66 135.61 1w3i s GLN 72 Ca 0.12 1.31 0.00 0.00 -2.50 0.00 0.00 55.36 54.29 1w3i s GLN 72 Cb -0.17 -3.46 0.00 0.00 -1.64 0.00 0.00 33.01 27.74 1w3i s GLN 72 CO 0.13 -0.03 0.22 1.33 0.50 0.00 0.00 175.29 177.44 1w3i n VAL 73 N 3.89 0.00 -1.46 1.34 0.24 -0.05 -4.73 118.33 117.57 1w3i n VAL 73 Ca 0.05 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.81 1w3i n VAL 73 Cb 0.51 1.49 0.10 0.00 -1.47 0.00 0.00 33.84 34.46 1w3i n VAL 73 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1w3i s GLY 74 N -0.03 1.63 0.00 7.63 0.00 -1.25 -4.35 107.32 110.94 1w3i s GLY 74 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1w3i s GLY 74 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.01 1w3i n GLY 75 N -1.83 -1.05 0.93 0.20 0.00 -1.26 -4.96 105.19 97.21 1w3i n GLY 75 Ca 0.07 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1w3i n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w3i n LEU 76 N 0.00 2.75 -3.95 0.99 4.77 -1.26 -4.58 117.00 115.71 1w3i n LEU 76 Ca 0.00 -1.25 -0.31 0.00 -0.03 0.00 0.00 56.01 54.42 1w3i n LEU 76 Cb 0.00 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1w3i n LEU 76 CO 0.00 0.63 -0.33 0.21 -1.33 0.00 0.00 177.39 176.57 1w3i s ASN 77 N -1.33 4.59 0.36 -1.43 3.84 -1.26 -4.99 114.94 114.73 1w3i s ASN 77 Ca 0.36 -2.03 0.08 0.00 0.21 0.00 0.00 52.86 51.48 1w3i s ASN 77 Cb 0.20 -1.44 0.69 0.00 -0.55 0.00 0.00 41.25 40.15 1w3i s ASN 77 CO 0.27 -0.39 1.87 0.25 -2.79 0.00 0.00 177.10 176.32 1w3i h LEU 78 N 7.73 0.29 -0.84 3.21 5.85 -2.00 -1.44 115.31 128.10 1w3i h LEU 78 Ca -0.06 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1w3i h LEU 78 Cb 1.02 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 1w3i h LEU 78 CO 0.51 0.46 0.48 0.44 -0.34 0.00 0.00 178.44 179.99 1w3i h ASP 79 N 0.28 0.70 -0.68 1.25 3.32 -1.98 -0.88 116.42 118.44 1w3i h ASP 79 Ca 0.06 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1w3i h ASP 79 Cb 0.43 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1w3i h ASP 79 CO 0.03 0.40 0.11 0.44 -1.72 0.00 0.00 179.24 178.49 1w3i h ASP 80 N 0.81 1.08 -0.50 6.45 3.32 -1.69 -1.63 116.42 124.26 1w3i h ASP 80 Ca 0.40 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 1w3i h ASP 80 Cb 0.36 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1w3i h ASP 80 CO -0.25 1.07 -0.16 0.00 -1.72 0.00 0.00 179.24 178.18 1w3i h ALA 81 N 1.05 0.74 -0.22 3.45 0.00 -1.05 -0.83 119.26 122.40 1w3i h ALA 81 Ca 0.21 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1w3i h ALA 81 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1w3i h ALA 81 CO 0.01 0.67 0.13 0.82 0.00 0.00 0.00 179.25 180.89 1w3i h ILE 82 N 0.88 1.09 -0.25 0.00 2.04 -1.08 -0.34 117.51 119.85 1w3i h ILE 82 Ca 0.13 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1w3i h ILE 82 Cb 0.74 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1w3i h ILE 82 CO 0.06 0.08 -0.03 -0.09 0.00 0.00 0.00 178.15 178.17 1w3i h ARG 83 N 0.27 0.03 -0.80 2.37 2.43 -1.01 0.01 114.38 117.69 1w3i h ARG 83 Ca 0.08 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1w3i h ARG 83 Cb 0.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1w3i h ARG 83 CO -0.01 0.02 0.46 -0.07 -1.51 0.00 0.00 179.97 178.86 1w3i h LEU 84 N 0.04 0.98 -0.42 3.80 3.38 -1.03 -0.17 115.31 121.89 1w3i h LEU 84 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1w3i h LEU 84 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1w3i h LEU 84 CO -0.23 0.78 0.25 0.00 0.09 0.00 0.00 178.44 179.32 1w3i h ALA 85 N 1.25 0.54 -0.47 1.53 0.00 -0.35 -2.38 119.26 119.37 1w3i h ALA 85 Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1w3i h ALA 85 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1w3i h ALA 85 CO -0.05 0.03 0.17 0.87 0.00 0.00 0.00 179.25 180.28 1w3i h LYS 86 N 0.55 0.71 -0.14 0.00 1.57 -0.68 -2.82 116.57 115.76 1w3i h LYS 86 Ca 0.15 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1w3i h LYS 86 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1w3i h LYS 86 CO -0.03 0.65 0.14 -0.07 -0.57 0.00 0.00 179.45 179.58 1w3i h LEU 87 N 0.62 0.00 -0.25 2.94 3.38 -0.71 -1.76 115.31 119.52 1w3i h LEU 87 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1w3i h LEU 87 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1w3i h LEU 87 CO -0.01 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 1w3i n SER 88 N -3.92 0.25 0.08 -0.43 3.41 -0.92 -3.26 113.62 108.83 1w3i n SER 88 Ca 0.00 0.56 0.18 0.00 -0.26 0.00 0.00 58.87 59.35 1w3i n SER 88 Cb 0.26 -0.61 0.71 0.00 -0.26 0.00 0.00 64.21 64.30 1w3i n SER 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1w3i h LYS 89 N 0.00 0.00 -0.44 4.33 3.64 -1.46 -1.34 116.57 121.31 1w3i h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1w3i h LYS 89 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1w3i h LYS 89 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1w3i n ASP 90 N -4.27 1.79 -4.01 4.20 8.00 -1.20 -4.75 116.55 116.31 1w3i n ASP 90 Ca 0.06 -2.10 -0.26 0.00 0.71 0.00 0.00 54.79 53.20 1w3i n ASP 90 Cb 0.48 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 1w3i n ASP 90 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1w3i s PHE 91 N -1.64 1.56 -1.43 1.24 0.40 -0.50 -5.04 117.98 112.56 1w3i s PHE 91 Ca 0.18 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.77 1w3i s PHE 91 Cb 0.11 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1w3i s PHE 91 CO 0.10 -0.35 2.39 -3.47 0.70 0.00 0.00 175.22 174.59 1w3i n ASP 92 N 4.07 6.56 -4.98 1.36 2.03 -1.26 -4.95 116.55 119.39 1w3i n ASP 92 Ca -0.20 -2.90 -0.21 0.00 0.52 0.00 0.00 54.79 51.99 1w3i n ASP 92 Cb 0.51 -1.51 0.03 0.00 -0.72 0.00 0.00 41.12 39.43 1w3i n ASP 92 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1w3i s ILE 93 N 1.16 2.13 0.04 5.18 -4.36 -1.26 -4.82 121.20 119.28 1w3i s ILE 93 Ca 0.53 -1.17 -0.19 0.00 -0.26 0.00 0.00 60.65 59.56 1w3i s ILE 93 Cb 0.15 -2.30 -0.15 0.00 1.25 0.00 0.00 42.46 41.40 1w3i s ILE 93 CO -0.06 0.00 1.29 0.58 0.24 0.00 0.00 174.94 176.99 1w3i h VAL 94 N 0.46 1.36 -1.83 8.37 2.07 -1.24 -3.48 116.25 121.96 1w3i h VAL 94 Ca -0.34 -1.58 0.39 0.00 0.82 0.00 0.00 66.70 65.99 1w3i h VAL 94 Cb 1.29 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 1w3i h VAL 94 CO 0.47 0.47 0.97 -0.83 0.02 0.00 0.00 177.57 178.68 1w3i s GLY 95 N -3.70 -0.25 0.38 2.17 0.00 -1.10 -4.34 107.32 100.47 1w3i s GLY 95 Ca -0.13 0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.96 1w3i s GLY 95 CO 0.79 5.06 0.28 -0.26 0.00 0.00 0.00 173.10 178.98 1w3i s ILE 96 N -2.03 2.96 0.07 0.90 -4.36 -0.29 -0.69 121.20 117.77 1w3i s ILE 96 Ca 0.28 -1.46 -0.08 0.00 -0.26 0.00 0.00 60.65 59.13 1w3i s ILE 96 Cb 0.02 -3.05 -0.00 0.00 1.25 0.00 0.00 42.46 40.67 1w3i s ILE 96 CO -0.03 -0.09 0.17 0.00 0.24 0.00 0.00 174.94 175.23 1w3i s ALA 97 N -2.42 -0.19 -0.07 2.27 0.00 0.70 -0.41 121.76 121.64 1w3i s ALA 97 Ca 0.43 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.73 1w3i s ALA 97 Cb -0.03 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1w3i s ALA 97 CO 0.26 -0.46 0.20 0.45 0.00 0.00 0.00 175.76 176.20 1w3i s SER 98 N -2.68 -0.20 0.89 0.00 0.15 -1.00 -0.87 113.70 109.99 1w3i s SER 98 Ca 0.03 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 1w3i s SER 98 Cb 0.04 0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.87 1w3i s SER 98 CO -0.09 -0.08 1.13 -0.72 1.20 0.00 0.00 173.24 174.68 1w3i s TYR 99 N 0.07 2.58 0.63 3.44 -0.85 -1.26 -1.14 117.35 120.83 1w3i s TYR 99 Ca -0.00 0.90 -0.15 0.00 -0.52 0.00 0.00 57.07 57.30 1w3i s TYR 99 Cb -0.02 -3.35 -0.02 0.00 0.38 0.00 0.00 41.96 38.96 1w3i s TYR 99 CO 0.00 -2.24 1.07 0.00 -1.52 0.00 0.00 175.55 172.86 1w3i s ALA 100 N -3.27 2.65 0.02 9.51 0.00 -1.25 -4.77 121.76 124.64 1w3i s ALA 100 Ca 0.63 0.37 -0.35 0.00 0.00 0.00 0.00 51.96 52.62 1w3i s ALA 100 Cb -0.15 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1w3i s ALA 100 CO 0.53 -1.02 1.67 -2.30 0.00 0.00 0.00 175.76 174.64 1w3i n PRO 101 N -2.35 1.91 -2.37 0.00 -0.02 -1.26 -4.93 135.00 125.98 1w3i n PRO 101 Ca 0.09 0.69 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1w3i n PRO 101 Cb 0.53 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1w3i n PRO 101 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1w3i n TYR 102 N 4.60 -2.47 0.00 6.00 0.18 -1.26 -4.73 117.16 119.48 1w3i n TYR 102 Ca 0.20 -1.45 0.00 0.00 1.88 0.00 0.00 57.90 58.53 1w3i n TYR 102 Cb 0.26 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 38.84 1w3i n TYR 102 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1w3i n TYR 103 N -1.85 0.00 -2.07 -3.48 9.36 -1.25 -4.90 117.16 112.97 1w3i n TYR 103 Ca 0.11 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.90 1w3i n TYR 103 Cb 0.41 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 1w3i n TYR 103 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1w3i s TYR 104 N 0.00 2.05 0.64 2.98 1.51 -1.26 -4.96 117.35 118.30 1w3i s TYR 104 Ca 0.00 0.45 -0.14 0.00 -1.01 0.00 0.00 57.07 56.36 1w3i s TYR 104 Cb 0.00 -3.95 -0.01 0.00 -0.11 0.00 0.00 41.96 37.89 1w3i s TYR 104 CO 0.00 -3.24 1.07 -2.14 -1.11 0.00 0.00 175.55 170.13 1w3i s PRO 105 N 4.51 3.06 -1.26 -1.71 0.02 -1.26 -4.28 135.00 134.08 1w3i s PRO 105 Ca 0.73 1.20 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 1w3i s PRO 105 Cb -0.28 -2.00 -0.00 0.00 0.02 0.00 0.00 34.50 32.24 1w3i s PRO 105 CO 0.29 -1.02 0.78 0.54 -0.33 0.00 0.00 177.00 177.27 1w3i n ARG 106 N -2.42 -5.01 -2.45 5.54 1.74 -1.26 -4.98 116.66 107.82 1w3i n ARG 106 Ca 0.09 0.68 -0.34 0.00 -0.77 0.00 0.00 57.85 57.51 1w3i n ARG 106 Cb 0.53 -5.33 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 1w3i n ARG 106 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1w3i s MET 107 N -5.75 3.71 0.48 5.56 1.75 -1.26 -5.05 119.30 118.74 1w3i s MET 107 Ca 0.05 1.34 -0.20 0.00 -1.25 0.00 0.00 55.69 55.63 1w3i s MET 107 Cb -0.01 -2.08 -0.09 0.00 2.84 0.00 0.00 34.83 35.49 1w3i s MET 107 CO 0.79 -0.50 1.00 -1.54 -0.65 0.00 0.00 175.02 174.12 1w3i s SER 108 N -2.11 6.54 0.25 1.11 1.04 -1.26 -4.94 113.70 114.32 1w3i s SER 108 Ca 0.67 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.85 1w3i s SER 108 Cb -0.16 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 63.85 1w3i s SER 108 CO 0.23 -0.64 1.79 -0.08 0.98 0.00 0.00 173.24 175.51 1w3i h GLU 109 N 1.50 0.67 -0.54 4.02 4.81 -1.99 -0.89 114.58 122.16 1w3i h GLU 109 Ca -0.49 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1w3i h GLU 109 Cb 1.20 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 1w3i h GLU 109 CO 0.60 0.44 0.14 -0.22 -0.73 0.00 0.00 179.01 179.25 1w3i h LYS 110 N 0.69 0.28 -0.27 1.92 3.64 -1.99 0.11 116.57 120.96 1w3i h LYS 110 Ca 0.42 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.64 1w3i h LYS 110 Cb 0.48 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1w3i h LYS 110 CO -0.30 0.19 -0.42 0.45 -2.27 0.00 0.00 179.45 177.10 1w3i h HIS 111 N 0.29 0.79 -0.39 1.91 3.86 -1.73 -1.44 115.15 118.45 1w3i h HIS 111 Ca 0.27 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1w3i h HIS 111 Cb 0.36 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1w3i h HIS 111 CO -0.21 0.97 0.08 -0.07 0.86 0.00 0.00 177.93 179.56 1w3i h LEU 112 N 0.53 0.60 -0.81 2.43 3.38 -0.59 -1.07 115.31 119.78 1w3i h LEU 112 Ca 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1w3i h LEU 112 Cb 0.95 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1w3i h LEU 112 CO 0.09 0.69 0.34 0.58 0.09 0.00 0.00 178.44 180.22 1w3i h VAL 113 N 0.48 1.26 -0.59 1.22 2.07 -0.73 -2.44 116.25 117.53 1w3i h VAL 113 Ca 0.12 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1w3i h VAL 113 Cb 0.33 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1w3i h VAL 113 CO 0.00 0.34 0.12 0.50 0.02 0.00 0.00 177.57 178.55 1w3i h LYS 114 N 1.18 0.97 -0.38 1.57 3.64 -0.95 0.11 116.57 122.71 1w3i h LYS 114 Ca 0.27 -0.25 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1w3i h LYS 114 Cb 0.20 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1w3i h LYS 114 CO -0.02 0.90 0.02 -0.92 -2.27 0.00 0.00 179.45 177.16 1w3i h TYR 115 N 0.87 0.02 -0.09 1.91 3.20 -0.87 -1.46 116.97 120.55 1w3i h TYR 115 Ca 0.18 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.85 1w3i h TYR 115 Cb 0.39 0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.72 1w3i h TYR 115 CO 0.03 -0.05 -0.84 0.74 -1.64 0.00 0.00 178.16 176.40 1w3i h PHE 116 N 0.13 1.03 -0.32 -3.82 -1.00 -1.13 -2.84 116.94 108.99 1w3i h PHE 116 Ca 0.18 -0.49 -0.03 0.00 2.81 0.00 0.00 57.97 60.44 1w3i h PHE 116 Cb 0.25 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1w3i h PHE 116 CO -0.24 1.33 0.08 0.87 -1.61 0.00 0.00 178.31 178.74 1w3i h LYS 117 N 0.44 0.47 -0.18 1.51 1.57 -0.88 -1.28 116.57 118.22 1w3i h LYS 117 Ca -0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1w3i h LYS 117 Cb 1.49 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1w3i h LYS 117 CO 0.17 0.43 0.11 1.15 -0.57 0.00 0.00 179.45 180.74 1w3i h THR 118 N 0.46 1.08 -0.75 -0.16 2.02 -1.17 0.03 112.91 114.43 1w3i h THR 118 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1w3i h THR 118 Cb 0.17 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1w3i h THR 118 CO -0.00 0.08 0.45 -0.07 0.37 0.00 0.00 175.52 176.34 1w3i h LEU 119 N 0.20 0.90 -1.22 2.58 3.38 -1.24 -2.61 115.31 117.29 1w3i h LEU 119 Ca 0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1w3i h LEU 119 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1w3i h LEU 119 CO -0.01 0.70 0.20 0.00 0.09 0.00 0.00 178.44 179.42 1w3i h GLU 121 N 0.73 0.00 -0.00 0.00 5.08 -0.63 -3.00 114.58 116.76 1w3i h GLU 121 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1w3i h GLU 121 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1w3i h GLU 121 CO -0.02 0.23 -0.79 1.33 -1.00 0.00 0.00 179.01 178.77 1w3i n VAL 122 N -3.35 0.00 -2.30 3.13 0.24 -1.05 -5.00 118.33 110.00 1w3i n VAL 122 Ca 0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1w3i n VAL 122 Cb 0.46 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1w3i n VAL 122 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1w3i s SER 123 N -2.67 6.94 0.00 -1.34 0.15 -0.60 -4.49 113.70 111.69 1w3i s SER 123 Ca 0.09 2.10 0.26 0.00 0.70 0.00 0.00 55.95 59.10 1w3i s SER 123 Cb 0.15 -2.57 1.28 0.00 -1.71 0.00 0.00 66.02 63.17 1w3i s SER 123 CO 0.72 -0.61 1.86 -0.81 1.20 0.00 0.00 173.24 175.59 1w3i n PRO 124 N 4.56 1.30 -4.26 5.44 -0.04 -1.26 -4.89 135.00 135.86 1w3i n PRO 124 Ca 0.11 -0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 62.99 1w3i n PRO 124 Cb 0.44 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1w3i n PRO 124 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1w3i s HIS 125 N -1.96 1.28 0.49 0.54 3.76 -1.26 -4.95 115.29 113.19 1w3i s HIS 125 Ca 0.38 -1.04 -0.21 0.00 -0.15 0.00 0.00 55.06 54.03 1w3i s HIS 125 Cb 0.19 -0.73 -0.09 0.00 1.11 0.00 0.00 32.58 33.06 1w3i s HIS 125 CO 0.30 -0.22 0.86 -2.30 -0.85 0.00 0.00 174.74 172.53 1w3i n PRO 126 N -0.28 1.00 -4.87 8.40 -0.02 -1.26 -4.67 135.00 133.29 1w3i n PRO 126 Ca -0.05 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1w3i n PRO 126 Cb 0.64 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 1w3i n PRO 126 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1w3i s VAL 127 N -1.44 2.99 -0.08 -1.45 1.01 -1.26 -1.14 120.40 119.04 1w3i s VAL 127 Ca 0.67 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1w3i s VAL 127 Cb -0.51 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 1w3i s VAL 127 CO 0.54 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.72 1w3i s TYR 128 N -0.25 2.67 0.02 5.22 1.51 0.45 -0.66 117.35 126.32 1w3i s TYR 128 Ca 0.01 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.27 1w3i s TYR 128 Cb -0.13 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1w3i s TYR 128 CO 0.03 -0.09 0.90 -1.17 -1.11 0.00 0.00 175.55 174.12 1w3i s LEU 129 N -0.14 4.40 -0.42 -1.29 2.96 -0.35 -2.38 118.68 121.46 1w3i s LEU 129 Ca -0.02 1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 55.40 1w3i s LEU 129 Cb -0.14 -3.45 0.09 0.00 0.50 0.00 0.00 46.19 43.19 1w3i s LEU 129 CO 0.04 -0.16 0.25 -0.47 -1.32 0.00 0.00 176.35 174.68 1w3i s TYR 130 N 0.63 3.38 -0.28 5.38 5.04 -0.29 -0.84 117.35 130.36 1w3i s TYR 130 Ca 0.47 -1.72 -0.12 0.00 -2.44 0.00 0.00 57.07 53.26 1w3i s TYR 130 Cb -0.21 -3.02 -0.05 0.00 0.35 0.00 0.00 41.96 39.03 1w3i s TYR 130 CO 0.26 -0.88 0.22 1.21 -1.34 0.00 0.00 175.55 175.02 1w3i s ASN 131 N 2.11 6.06 -0.42 4.32 2.47 0.07 -3.92 114.94 125.63 1w3i s ASN 131 Ca 0.04 0.01 0.04 0.00 0.42 0.00 0.00 52.86 53.36 1w3i s ASN 131 Cb -0.23 -2.13 0.17 0.00 -1.45 0.00 0.00 41.25 37.60 1w3i s ASN 131 CO 0.01 -0.08 0.40 -0.47 -3.72 0.00 0.00 177.10 173.23 1w3i s TYR 132 N 1.81 0.39 0.28 0.43 6.04 -1.26 -1.12 117.35 123.92 1w3i s TYR 132 Ca 0.08 -1.75 -0.03 0.00 0.04 0.00 0.00 57.07 55.41 1w3i s TYR 132 Cb -0.16 -0.63 0.39 0.00 -1.04 0.00 0.00 41.96 40.52 1w3i s TYR 132 CO 0.11 -0.93 1.93 -1.35 -1.54 0.00 0.00 175.55 173.78 1w3i h PRO 133 N 5.86 1.10 -0.72 4.97 0.11 -1.73 -1.28 132.00 140.31 1w3i h PRO 133 Ca 0.18 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1w3i h PRO 133 Cb 0.97 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1w3i h PRO 133 CO 0.27 0.76 0.29 1.15 -0.21 0.00 0.00 178.00 180.27 1w3i h THR 134 N 1.12 1.24 0.14 -1.15 2.02 -1.87 0.53 112.91 114.95 1w3i h THR 134 Ca 0.29 -0.75 -0.30 0.00 0.77 0.00 0.00 66.41 66.42 1w3i h THR 134 Cb -0.06 0.38 0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1w3i h THR 134 CO -0.06 0.31 -1.27 0.00 0.37 0.00 0.00 175.52 174.87 1w3i h ALA 135 N 1.28 -0.03 0.00 6.16 0.00 -1.87 -3.36 119.26 121.43 1w3i h ALA 135 Ca 0.24 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1w3i h ALA 135 Cb 0.19 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1w3i h ALA 135 CO -0.02 0.68 -1.65 0.25 0.00 0.00 0.00 179.25 178.51 1w3i n THR 136 N -3.80 0.05 -0.99 0.00 -2.24 -0.51 -4.66 114.28 102.13 1w3i n THR 136 Ca -0.14 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1w3i n THR 136 Cb 1.00 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1w3i n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w3i n GLY 137 N 1.32 0.70 3.08 3.38 0.00 0.17 -3.85 105.19 109.98 1w3i n GLY 137 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1w3i n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w3i s LYS 138 N -0.09 0.59 -0.26 1.61 0.00 -1.24 -4.79 119.74 115.56 1w3i s LYS 138 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 55.97 54.83 1w3i s LYS 138 Cb 0.00 0.20 0.05 0.00 0.00 0.00 0.00 37.83 38.08 1w3i s LYS 138 CO 0.00 -0.11 -0.09 0.34 0.00 0.00 0.00 175.35 175.49 1w3i s ASP 139 N -2.77 4.38 -1.05 0.03 2.15 -1.26 -3.64 116.67 114.50 1w3i s ASP 139 Ca 0.05 -1.24 -0.13 0.00 0.43 0.00 0.00 52.55 51.66 1w3i s ASP 139 Cb 0.06 -1.58 0.22 0.00 -0.30 0.00 0.00 42.92 41.32 1w3i s ASP 139 CO -0.09 -0.18 1.11 -0.63 -0.17 0.00 0.00 175.17 175.22 1w3i s ILE 140 N 1.17 5.52 1.03 4.11 -1.09 -1.26 -4.99 121.20 125.69 1w3i s ILE 140 Ca -0.06 -2.78 -0.17 0.00 -2.23 0.00 0.00 60.65 55.41 1w3i s ILE 140 Cb -0.19 -4.67 0.24 0.00 -1.58 0.00 0.00 42.46 36.26 1w3i s ILE 140 CO -0.05 -1.30 1.32 1.51 -1.23 0.00 0.00 174.94 175.20 1w3i s ASP 141 N 2.17 2.51 0.36 3.58 1.47 -1.26 -4.60 116.67 120.90 1w3i s ASP 141 Ca 0.31 0.20 0.10 0.00 1.18 0.00 0.00 52.55 54.34 1w3i s ASP 141 Cb -0.08 -0.17 0.85 0.00 -0.34 0.00 0.00 42.92 43.18 1w3i s ASP 141 CO -0.07 -3.10 1.85 0.00 0.68 0.00 0.00 175.17 174.54 1w3i h ALA 142 N -1.90 1.87 -0.10 2.11 0.00 -1.88 0.26 119.26 119.63 1w3i h ALA 142 Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1w3i h ALA 142 Cb 1.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1w3i h ALA 142 CO 0.31 -0.13 -0.01 0.87 0.00 0.00 0.00 179.25 180.28 1w3i h LYS 143 N 0.66 0.18 -0.33 0.00 1.57 -1.92 -1.38 116.57 115.35 1w3i h LYS 143 Ca 0.47 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1w3i h LYS 143 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1w3i h LYS 143 CO -0.22 0.47 -0.29 0.28 -0.57 0.00 0.00 179.45 179.12 1w3i h VAL 144 N -0.13 1.28 -0.81 0.50 2.07 -1.76 -1.61 116.25 115.79 1w3i h VAL 144 Ca 0.03 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.15 1w3i h VAL 144 Cb 0.40 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1w3i h VAL 144 CO 0.01 0.46 0.53 0.00 0.02 0.00 0.00 177.57 178.59 1w3i h ALA 145 N 1.09 1.04 -0.69 1.67 0.00 -0.48 -0.59 119.26 121.30 1w3i h ALA 145 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1w3i h ALA 145 Cb 0.79 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1w3i h ALA 145 CO 0.06 0.42 0.22 -0.22 0.00 0.00 0.00 179.25 179.73 1w3i h LYS 146 N 1.08 1.07 -0.49 0.00 3.64 -0.96 -0.85 116.57 120.06 1w3i h LYS 146 Ca 0.30 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1w3i h LYS 146 Cb -0.10 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1w3i h LYS 146 CO -0.08 0.92 -0.05 1.49 -2.27 0.00 0.00 179.45 179.46 1w3i h GLU 147 N 1.01 0.85 -0.52 1.90 4.81 -0.74 -2.56 114.58 119.34 1w3i h GLU 147 Ca 0.22 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1w3i h GLU 147 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1w3i h GLU 147 CO -0.01 0.89 0.13 0.82 -0.73 0.00 0.00 179.01 180.11 1w3i h ILE 148 N 0.78 1.24 -0.21 2.32 2.04 -0.90 -3.47 117.51 119.32 1w3i h ILE 148 Ca 0.14 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1w3i h ILE 148 Cb 0.55 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1w3i h ILE 148 CO 0.03 0.31 -0.08 0.61 0.00 0.00 0.00 178.15 179.02 1w3i n GLY 149 N -0.63 0.62 0.01 5.37 0.00 -0.34 -4.84 105.19 105.39 1w3i n GLY 149 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1w3i n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3i s PHE 151 N -0.66 3.72 0.11 0.00 2.99 -1.26 -4.44 117.98 118.44 1w3i s PHE 151 Ca 0.01 1.48 0.01 0.00 0.00 0.00 0.00 56.93 58.43 1w3i s PHE 151 Cb 0.01 -2.85 -0.19 0.00 0.00 0.00 0.00 43.02 39.98 1w3i s PHE 151 CO 0.00 0.23 1.25 1.15 -0.00 0.00 0.00 175.22 177.85 1w3i h THR 152 N 4.23 1.58 -3.31 0.64 2.02 -1.26 -3.46 112.91 113.34 1w3i h THR 152 Ca -0.43 -3.09 -0.03 0.00 0.77 0.00 0.00 66.41 63.63 1w3i h THR 152 Cb 1.21 2.80 -0.05 0.00 -1.74 0.00 0.00 68.15 70.37 1w3i h THR 152 CO 0.72 0.89 0.10 -0.83 0.37 0.00 0.00 175.52 176.77 1w3i s GLY 153 N -4.64 0.40 -0.02 2.16 0.00 -1.24 -1.44 107.32 102.55 1w3i s GLY 153 Ca -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 1w3i s GLY 153 CO 0.85 -0.41 0.05 0.54 0.00 0.00 0.00 173.10 174.13 1w3i s VAL 154 N -3.36 -0.01 -0.24 1.40 0.11 -0.01 -1.21 120.40 117.08 1w3i s VAL 154 Ca 0.18 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1w3i s VAL 154 Cb -0.04 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1w3i s VAL 154 CO 0.11 0.01 0.03 -0.75 -3.33 0.00 0.00 175.10 171.17 1w3i s LYS 155 N 0.19 3.50 -0.36 1.54 2.20 -0.02 -0.56 119.74 126.23 1w3i s LYS 155 Ca -0.01 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 54.97 1w3i s LYS 155 Cb -0.02 -3.22 0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1w3i s LYS 155 CO -0.01 -0.22 0.13 0.34 -0.36 0.00 0.00 175.35 175.23 1w3i s ASP 156 N 1.56 5.29 -0.67 1.43 3.68 0.25 -0.75 116.67 127.46 1w3i s ASP 156 Ca 0.06 -1.35 -0.17 0.00 2.13 0.00 0.00 52.55 53.21 1w3i s ASP 156 Cb -0.15 -1.86 0.14 0.00 -1.45 0.00 0.00 42.92 39.60 1w3i s ASP 156 CO 0.01 -0.38 0.72 -0.89 0.13 0.00 0.00 175.17 174.76 1w3i s THR 157 N 1.34 5.08 -0.12 1.71 2.01 -0.27 -1.02 115.64 124.37 1w3i s THR 157 Ca -0.00 -1.52 -0.30 0.00 0.31 0.00 0.00 61.69 60.18 1w3i s THR 157 Cb -0.21 -4.48 0.10 0.00 0.01 0.00 0.00 72.50 67.92 1w3i s THR 157 CO 0.01 -1.09 0.83 -0.51 -0.69 0.00 0.00 174.62 173.17 1w3i s ILE 158 N 1.85 0.00 -0.33 1.82 2.07 -1.26 -4.21 121.20 121.14 1w3i s ILE 158 Ca 0.13 0.00 0.20 0.00 -1.41 0.00 0.00 60.65 59.57 1w3i s ILE 158 Cb -0.20 -1.00 0.23 0.00 0.13 0.00 0.00 42.46 41.61 1w3i s ILE 158 CO 0.00 0.00 1.53 -0.33 -1.91 0.00 0.00 174.94 174.23 1w3i h GLU 159 N 3.03 0.00 -6.21 3.50 3.07 -2.02 -3.44 114.58 112.52 1w3i h GLU 159 Ca -0.24 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.06 1w3i h GLU 159 Cb 1.15 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.97 1w3i h GLU 159 CO 0.32 0.19 0.92 1.21 -1.40 0.00 0.00 179.01 180.25 1w3i s ASN 160 N -6.28 6.23 0.23 1.42 2.47 -1.26 -4.88 114.94 112.87 1w3i s ASN 160 Ca 0.06 -0.42 0.26 0.00 0.42 0.00 0.00 52.86 53.17 1w3i s ASN 160 Cb 0.06 -2.53 0.84 0.00 -1.45 0.00 0.00 41.25 38.18 1w3i s ASN 160 CO 0.70 -1.66 1.76 0.00 -3.72 0.00 0.00 177.10 174.19 1w3i n ILE 161 N 6.35 0.65 -0.22 -5.21 3.06 -1.26 -1.92 119.36 120.81 1w3i n ILE 161 Ca 0.03 -0.18 -0.06 0.00 -2.50 0.00 0.00 62.75 60.03 1w3i n ILE 161 Cb 0.48 -0.71 0.04 0.00 0.54 0.00 0.00 39.64 39.99 1w3i n ILE 161 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1w3i h ILE 162 N 0.00 1.18 -0.87 9.51 2.04 -1.99 -0.53 117.51 126.85 1w3i h ILE 162 Ca 0.00 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1w3i h ILE 162 Cb 0.67 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1w3i h ILE 162 CO 0.00 0.18 0.57 -0.74 0.00 0.00 0.00 178.15 178.17 1w3i h HIS 163 N 0.84 1.08 -0.19 1.37 2.76 -1.80 -1.21 115.15 118.01 1w3i h HIS 163 Ca 0.22 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1w3i h HIS 163 Cb -0.03 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.56 1w3i h HIS 163 CO -0.02 0.66 -0.15 1.15 -1.30 0.00 0.00 177.93 178.27 1w3i h THR 164 N 1.15 1.33 -0.61 6.26 2.02 -1.44 -2.81 112.91 118.81 1w3i h THR 164 Ca 0.33 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 66.25 1w3i h THR 164 Cb -0.09 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1w3i h THR 164 CO -0.09 0.39 0.41 -0.07 0.37 0.00 0.00 175.52 176.53 1w3i h LEU 165 N 0.10 0.65 -1.79 2.58 3.38 -0.94 -2.40 115.31 116.89 1w3i h LEU 165 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1w3i h LEU 165 Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1w3i h LEU 165 CO 0.04 0.45 0.20 0.44 0.09 0.00 0.00 178.44 179.66 1w3i h ASP 166 N 0.75 0.24 -0.81 -0.43 3.32 -0.94 -0.70 116.42 117.86 1w3i h ASP 166 Ca 0.24 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1w3i h ASP 166 Cb 0.03 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1w3i h ASP 166 CO -0.06 0.17 0.48 1.88 -1.72 0.00 0.00 179.24 179.99 1w3i h TYR 167 N 0.28 0.89 -0.36 4.55 -1.99 -1.44 -0.83 116.97 118.07 1w3i h TYR 167 Ca 0.12 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.73 1w3i h TYR 167 Cb 0.13 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1w3i h TYR 167 CO -0.00 0.43 -0.36 -0.22 -0.00 0.00 0.00 178.16 178.01 1w3i h LYS 168 N 0.87 0.83 -0.69 4.88 3.64 -1.28 0.99 116.57 125.80 1w3i h LYS 168 Ca 0.36 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1w3i h LYS 168 Cb 0.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1w3i h LYS 168 CO -0.19 1.05 0.21 -0.09 -2.27 0.00 0.00 179.45 178.16 1w3i h ARG 169 N 0.69 1.08 0.00 1.90 2.43 -0.91 -2.96 114.38 116.61 1w3i h ARG 169 Ca 0.06 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1w3i h ARG 169 Cb 0.92 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1w3i h ARG 169 CO 0.08 0.94 -1.31 1.28 -1.51 0.00 0.00 179.97 179.45 1w3i n LEU 170 N -4.30 0.58 -3.33 3.80 4.32 -0.35 -4.52 117.00 113.20 1w3i n LEU 170 Ca 0.05 0.22 -0.25 0.00 -0.02 0.00 0.00 56.01 56.00 1w3i n LEU 170 Cb 0.23 -0.04 -0.08 0.00 -1.62 0.00 0.00 43.42 41.91 1w3i n LEU 170 CO 0.41 -0.12 -0.20 0.59 -1.22 0.00 0.00 177.39 176.85 1w3i n ASN 171 N -2.53 1.09 0.32 -1.43 3.02 0.33 -4.98 115.26 111.10 1w3i n ASN 171 Ca -0.01 -2.85 0.20 0.00 -0.03 0.00 0.00 54.58 51.89 1w3i n ASN 171 Cb 0.55 -0.64 1.06 0.00 -0.61 0.00 0.00 39.78 40.14 1w3i n ASN 171 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1w3i h PRO 172 N 4.41 0.00 0.00 3.52 0.13 -1.73 -0.83 132.00 137.50 1w3i h PRO 172 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1w3i h PRO 172 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1w3i h PRO 172 CO 0.55 0.00 -0.70 0.09 -0.23 0.00 0.00 178.00 177.71 1w3i n ASN 173 N -3.14 0.62 -4.77 1.44 3.02 -1.26 -4.94 115.26 106.23 1w3i n ASN 173 Ca -0.02 -0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 1w3i n ASN 173 Cb 0.18 0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1w3i n ASN 173 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1w3i s MET 174 N -3.12 4.41 0.01 3.52 1.75 -0.32 -5.00 119.30 120.56 1w3i s MET 174 Ca 0.07 1.81 -0.30 0.00 -1.25 0.00 0.00 55.69 56.02 1w3i s MET 174 Cb 0.15 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 1w3i s MET 174 CO 0.74 0.00 0.96 -0.51 -0.65 0.00 0.00 175.02 175.56 1w3i s LEU 175 N -1.90 4.39 -0.17 4.11 1.43 -0.52 -4.88 118.68 121.13 1w3i s LEU 175 Ca 0.50 1.65 -0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1w3i s LEU 175 Cb -0.31 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1w3i s LEU 175 CO 0.40 -0.22 -0.07 -0.69 0.23 0.00 0.00 176.35 175.99 1w3i s VAL 176 N 0.85 1.28 0.07 -1.59 1.01 -1.26 -0.83 120.40 119.93 1w3i s VAL 176 Ca 0.50 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1w3i s VAL 176 Cb -0.21 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1w3i s VAL 176 CO 0.28 0.16 -0.23 -0.31 0.00 0.00 0.00 175.10 174.99 1w3i s TYR 177 N 1.56 2.40 0.07 5.22 1.51 0.27 -1.26 117.35 127.13 1w3i s TYR 177 Ca 0.00 -0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 55.52 1w3i s TYR 177 Cb -0.15 -1.38 -0.07 0.00 -0.11 0.00 0.00 41.96 40.25 1w3i s TYR 177 CO -0.08 0.22 0.56 0.45 -1.11 0.00 0.00 175.55 175.59 1w3i s SER 178 N -1.52 7.05 -0.03 2.29 0.15 -0.63 -0.58 113.70 120.43 1w3i s SER 178 Ca 0.13 1.24 0.04 0.00 0.70 0.00 0.00 55.95 58.06 1w3i s SER 178 Cb -0.10 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 1w3i s SER 178 CO 0.04 0.28 0.91 0.61 1.20 0.00 0.00 173.24 176.28 1w3i n GLY 179 N 1.72 0.86 3.29 9.45 0.00 -0.19 -0.54 105.19 119.77 1w3i n GLY 179 Ca -0.11 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1w3i n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w3i s SER 180 N -0.53 4.10 0.55 1.61 0.01 -1.26 -4.74 113.70 113.45 1w3i s SER 180 Ca 0.10 -0.42 0.27 0.00 1.31 0.00 0.00 55.95 57.21 1w3i s SER 180 Cb 0.07 -1.69 1.61 0.00 0.21 0.00 0.00 66.02 66.22 1w3i s SER 180 CO 0.05 0.00 2.18 0.44 0.41 0.00 0.00 173.24 176.32 1w3i h ASP 181 N 7.94 0.00 0.57 2.44 3.32 -1.91 -2.33 116.42 126.44 1w3i h ASP 181 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1w3i h ASP 181 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1w3i h ASP 181 CO 0.61 0.05 -0.13 0.23 -1.72 0.00 0.00 179.24 178.27 1w3i n MET 182 N -3.88 0.37 -0.41 3.56 2.81 -1.26 -3.73 117.12 114.58 1w3i n MET 182 Ca -0.03 -0.11 0.08 0.00 -1.81 0.00 0.00 57.70 55.83 1w3i n MET 182 Cb 0.14 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.40 1w3i n MET 182 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1w3i n LEU 183 N -1.22 3.77 -0.03 4.03 4.77 -0.88 -4.74 117.00 122.70 1w3i n LEU 183 Ca 0.11 -2.82 -0.11 0.00 -0.03 0.00 0.00 56.01 53.16 1w3i n LEU 183 Cb 0.30 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1w3i n LEU 183 CO 0.26 0.68 0.85 0.40 -1.33 0.00 0.00 177.39 178.26 1w3i h ILE 184 N 1.92 1.13 -0.69 -0.08 2.04 -1.69 -0.22 117.51 119.93 1w3i h ILE 184 Ca 0.00 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1w3i h ILE 184 Cb 1.33 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1w3i h ILE 184 CO 0.19 0.12 0.38 0.00 0.00 0.00 0.00 178.15 178.84 1w3i h ALA 185 N 0.92 0.89 -0.19 1.87 0.00 -1.85 -2.49 119.26 118.41 1w3i h ALA 185 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1w3i h ALA 185 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1w3i h ALA 185 CO -0.01 0.40 -0.17 1.15 0.00 0.00 0.00 179.25 180.62 1w3i h THR 186 N 0.95 1.33 -0.60 0.00 2.02 -1.84 -2.00 112.91 112.77 1w3i h THR 186 Ca 0.24 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 66.16 1w3i h THR 186 Cb 0.04 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1w3i h THR 186 CO -0.04 0.40 0.30 0.58 0.37 0.00 0.00 175.52 177.13 1w3i h VAL 187 N 0.11 0.92 -0.43 3.16 2.07 -1.00 -0.41 116.25 120.66 1w3i h VAL 187 Ca 0.03 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1w3i h VAL 187 Cb 0.71 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1w3i h VAL 187 CO 0.04 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.68 1w3i h ALA 188 N 1.34 1.09 0.00 1.67 0.00 -1.41 -2.45 119.26 119.50 1w3i h ALA 188 Ca 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1w3i h ALA 188 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1w3i h ALA 188 CO -0.20 0.57 -0.14 0.77 0.00 0.00 0.00 179.25 180.25 1w3i h SER 189 N 0.68 0.00 -0.41 0.00 0.02 -0.72 -3.35 113.55 109.77 1w3i h SER 189 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1w3i h SER 189 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1w3i h SER 189 CO 0.03 0.14 0.00 1.07 -1.14 0.00 0.00 176.83 176.92 1w3i n THR 190 N -3.14 1.70 -0.44 -2.27 5.66 -0.22 -4.97 114.28 110.60 1w3i n THR 190 Ca 0.03 -1.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.67 1w3i n THR 190 Cb 0.57 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 1w3i n THR 190 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w3i n GLY 191 N 0.36 0.78 3.98 1.09 0.00 -1.20 -5.05 105.19 105.14 1w3i n GLY 191 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1w3i n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w3i s LEU 192 N 0.00 2.97 0.00 0.99 1.43 -0.94 -5.03 118.68 118.10 1w3i s LEU 192 Ca 0.00 -0.22 0.24 0.00 -1.03 0.00 0.00 54.13 53.12 1w3i s LEU 192 Cb 0.00 -2.16 0.31 0.00 0.03 0.00 0.00 46.19 44.37 1w3i s LEU 192 CO 0.00 -1.87 1.29 0.47 0.23 0.00 0.00 176.35 176.47 1w3i n ASP 193 N -2.89 1.79 0.00 2.29 8.00 -0.39 -4.69 116.55 120.66 1w3i n ASP 193 Ca 0.14 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1w3i n ASP 193 Cb 0.60 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1w3i n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w3i n GLY 194 N 1.37 0.77 2.90 0.44 0.00 -1.25 -1.07 105.19 108.35 1w3i n GLY 194 Ca 0.11 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 1w3i n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1w3i s ASN 195 N -4.00 0.55 -0.51 1.61 0.01 -0.73 -1.61 114.94 110.25 1w3i s ASN 195 Ca 0.00 -0.07 -0.17 0.00 -0.71 0.00 0.00 52.86 51.91 1w3i s ASN 195 Cb 0.00 -0.17 0.08 0.00 0.41 0.00 0.00 41.25 41.57 1w3i s ASN 195 CO 0.00 -0.01 0.54 -0.69 -1.51 0.00 0.00 177.10 175.43 1w3i s VAL 196 N 0.39 5.04 -0.28 1.60 1.01 0.30 -0.90 120.40 127.56 1w3i s VAL 196 Ca -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1w3i s VAL 196 Cb -0.07 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1w3i s VAL 196 CO -0.01 -0.77 -0.07 0.00 0.00 0.00 0.00 175.10 174.25 1w3i s ALA 197 N 2.15 2.65 0.26 5.51 0.00 -0.05 -4.10 121.76 128.18 1w3i s ALA 197 Ca 0.09 -1.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 1w3i s ALA 197 Cb -0.23 -1.70 0.47 0.00 0.00 0.00 0.00 23.12 21.67 1w3i s ALA 197 CO 0.08 -1.27 1.80 0.00 0.00 0.00 0.00 175.76 176.38 1w3i h ALA 198 N 7.79 1.29 0.00 0.00 0.00 -1.86 -0.89 119.26 125.59 1w3i h ALA 198 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1w3i h ALA 198 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1w3i h ALA 198 CO 0.48 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1w3i n GLY 199 N -1.33 -1.00 0.11 0.00 0.00 -1.26 -1.78 105.19 99.94 1w3i n GLY 199 Ca 0.16 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.44 1w3i n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1w3i n SER 200 N -2.22 0.59 -0.28 1.61 3.41 -0.34 -1.11 113.62 115.28 1w3i n SER 200 Ca -0.00 0.64 -0.04 0.00 -0.26 0.00 0.00 58.87 59.21 1w3i n SER 200 Cb 0.10 -0.77 0.07 0.00 -0.26 0.00 0.00 64.21 63.36 1w3i n SER 200 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1w3i h ASN 201 N 0.00 0.86 0.00 4.04 2.35 -1.50 -2.92 115.58 118.41 1w3i h ASN 201 Ca 0.00 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1w3i h ASN 201 Cb 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1w3i h ASN 201 CO 0.00 0.62 -1.74 0.00 -1.65 0.00 0.00 177.43 174.65 1w3i n TYR 202 N -4.57 0.00 -3.11 1.19 0.18 -0.95 -4.67 117.16 105.24 1w3i n TYR 202 Ca 0.08 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.65 1w3i n TYR 202 Cb 0.03 -0.43 -0.03 0.00 -0.38 0.00 0.00 39.34 38.53 1w3i n TYR 202 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1w3i n LEU 203 N -2.14 1.98 -0.24 -3.48 4.77 -0.27 -4.46 117.00 113.16 1w3i n LEU 203 Ca -0.08 -5.22 0.04 0.00 -0.03 0.00 0.00 56.01 50.72 1w3i n LEU 203 Cb 0.53 0.31 0.28 0.00 -2.33 0.00 0.00 43.42 42.21 1w3i n LEU 203 CO 0.30 2.30 1.24 1.55 -1.33 0.00 0.00 177.39 181.45 1w3i h PRO 204 N 3.03 0.91 -0.84 3.23 0.13 -1.71 -1.47 132.00 135.28 1w3i h PRO 204 Ca 0.11 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1w3i h PRO 204 Cb 0.82 -0.20 -0.07 0.00 0.13 0.00 0.00 31.00 31.68 1w3i h PRO 204 CO 0.60 0.60 0.50 0.93 -0.23 0.00 0.00 178.00 180.40 1w3i h GLU 205 N 0.93 0.83 -0.11 0.86 3.07 -1.89 -0.30 114.58 117.98 1w3i h GLU 205 Ca 0.33 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.06 1w3i h GLU 205 Cb 0.13 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1w3i h GLU 205 CO -0.11 0.55 -0.26 0.28 -1.40 0.00 0.00 179.01 178.07 1w3i h VAL 206 N 0.85 1.39 -0.63 3.13 2.07 -1.63 -1.25 116.25 120.18 1w3i h VAL 206 Ca 0.39 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1w3i h VAL 206 Cb 0.31 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1w3i h VAL 206 CO -0.22 0.45 0.25 0.71 0.02 0.00 0.00 177.57 178.78 1w3i h THR 207 N -0.06 1.23 -0.42 2.57 1.35 -1.01 -0.04 112.91 116.52 1w3i h THR 207 Ca -0.00 -0.73 -0.08 0.00 -0.55 0.00 0.00 66.41 65.05 1w3i h THR 207 Cb 0.86 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 1w3i h THR 207 CO 0.06 0.29 -0.06 0.58 -0.25 0.00 0.00 175.52 176.13 1w3i h VAL 208 N 0.88 1.24 -0.31 6.82 2.07 -1.07 -2.50 116.25 123.39 1w3i h VAL 208 Ca 0.21 -1.06 -0.18 0.00 0.82 0.00 0.00 66.70 66.49 1w3i h VAL 208 Cb 0.20 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1w3i h VAL 208 CO -0.02 0.36 -0.52 0.74 0.02 0.00 0.00 177.57 178.15 1w3i h THR 209 N 0.67 1.27 -0.44 2.57 2.02 -0.72 -1.09 112.91 117.19 1w3i h THR 209 Ca 0.12 -1.70 0.01 0.00 0.77 0.00 0.00 66.41 65.61 1w3i h THR 209 Cb 0.50 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1w3i h THR 209 CO 0.03 0.56 0.29 0.40 0.37 0.00 0.00 175.52 177.16 1w3i h ILE 210 N 0.69 1.10 -0.16 3.11 2.04 -0.89 -0.71 117.51 122.69 1w3i h ILE 210 Ca 0.02 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1w3i h ILE 210 Cb 1.13 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1w3i h ILE 210 CO 0.12 0.11 -0.02 0.50 0.00 0.00 0.00 178.15 178.85 1w3i h LYS 211 N 0.59 0.02 -0.54 2.37 3.11 -1.29 -1.38 116.57 119.45 1w3i h LYS 211 Ca 0.16 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.03 1w3i h LYS 211 Cb -0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.13 1w3i h LYS 211 CO -0.04 0.02 0.32 0.87 -2.81 0.00 0.00 179.45 177.80 1w3i h LYS 212 N 0.02 0.60 -0.53 1.90 1.57 -0.85 -0.93 116.57 118.36 1w3i h LYS 212 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1w3i h LYS 212 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1w3i h LYS 212 CO -0.15 0.40 0.22 -0.07 -0.57 0.00 0.00 179.45 179.28 1w3i h LEU 213 N 0.62 0.73 -0.68 2.94 3.38 -0.88 -1.60 115.31 119.82 1w3i h LEU 213 Ca 0.22 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1w3i h LEU 213 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1w3i h LEU 213 CO -0.11 0.70 -0.13 0.00 0.09 0.00 0.00 178.44 178.99 1w3i h ALA 214 N 1.06 0.88 0.00 1.53 0.00 -0.87 -1.08 119.26 120.77 1w3i h ALA 214 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1w3i h ALA 214 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1w3i h ALA 214 CO -0.02 0.64 -0.08 0.52 0.00 0.00 0.00 179.25 180.32 1w3i h MET 215 N 0.79 0.00 -0.23 0.00 2.86 -0.86 0.63 114.93 118.12 1w3i h MET 215 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1w3i h MET 215 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1w3i h MET 215 CO 0.05 0.08 0.00 0.39 1.06 0.00 0.00 176.91 178.48 1w3i n GLU 216 N -3.24 1.56 -2.08 1.72 1.02 -0.63 -4.92 120.64 114.07 1w3i n GLU 216 Ca -0.00 -0.87 -0.20 0.00 -0.02 0.00 0.00 57.16 56.06 1w3i n GLU 216 Cb 0.31 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 1w3i n GLU 216 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1w3i n ARG 217 N 0.20 -1.62 -2.60 3.49 5.12 0.21 -4.89 116.66 116.58 1w3i n ARG 217 Ca 0.09 1.06 -0.42 0.00 -1.93 0.00 0.00 57.85 56.65 1w3i n ARG 217 Cb 0.21 -5.61 0.01 0.00 -1.16 0.00 0.00 32.46 25.91 1w3i n ARG 217 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1w3i n LYS 218 N -2.74 4.12 -0.05 5.56 5.02 -0.44 -4.82 118.16 124.81 1w3i n LYS 218 Ca -0.22 -3.99 -0.07 0.00 -2.02 0.00 0.00 58.31 52.00 1w3i n LYS 218 Cb 0.67 -2.72 0.11 0.00 -0.02 0.00 0.00 35.03 33.08 1w3i n LYS 218 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1w3i h ILE 219 N 3.47 1.28 -0.47 -0.18 6.09 -1.88 -0.13 117.51 125.69 1w3i h ILE 219 Ca 0.34 -1.38 -0.06 0.00 -1.37 0.00 0.00 64.86 62.39 1w3i h ILE 219 Cb 0.59 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 1w3i h ILE 219 CO 1.48 0.45 0.06 0.44 -3.07 0.00 0.00 178.15 177.51 1w3i h ASP 220 N 0.59 0.76 -0.56 2.19 3.32 -1.96 0.11 116.42 120.87 1w3i h ASP 220 Ca 0.08 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1w3i h ASP 220 Cb 0.77 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1w3i h ASP 220 CO 0.06 0.84 0.25 -0.33 -1.72 0.00 0.00 179.24 178.34 1w3i h GLU 221 N 0.65 0.82 -0.66 3.56 5.08 -1.89 -0.85 114.58 121.29 1w3i h GLU 221 Ca 0.14 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1w3i h GLU 221 Cb 0.42 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1w3i h GLU 221 CO 0.01 0.69 0.38 0.00 -1.00 0.00 0.00 179.01 179.10 1w3i h ALA 222 N 1.09 0.84 -0.39 3.43 0.00 -0.69 -2.18 119.26 121.36 1w3i h ALA 222 Ca 0.19 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1w3i h ALA 222 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1w3i h ALA 222 CO -0.02 0.33 -0.25 -0.07 0.00 0.00 0.00 179.25 179.24 1w3i h LEU 223 N 0.89 0.82 -0.87 0.00 3.38 -0.60 0.17 115.31 119.11 1w3i h LEU 223 Ca 0.23 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 223 Cb -0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1w3i h LEU 223 CO -0.04 1.03 0.55 0.50 0.09 0.00 0.00 178.44 180.57 1w3i h LYS 224 N 0.69 1.16 -0.12 1.13 3.64 -0.91 0.95 116.57 123.10 1w3i h LYS 224 Ca 0.09 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1w3i h LYS 224 Cb 0.78 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1w3i h LYS 224 CO 0.06 0.80 -0.78 1.25 -2.27 0.00 0.00 179.45 178.51 1w3i h LEU 225 N 1.19 0.80 -0.79 5.20 5.85 -1.15 -2.63 115.31 123.77 1w3i h LEU 225 Ca 0.32 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1w3i h LEU 225 Cb -0.09 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 1w3i h LEU 225 CO -0.06 1.31 0.50 -0.61 -0.34 0.00 0.00 178.44 179.24 1w3i h GLN 226 N 0.45 0.92 -0.19 1.25 5.75 -0.21 -1.23 115.11 121.85 1w3i h GLN 226 Ca -0.05 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.30 1w3i h GLN 226 Cb 1.40 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 1w3i h GLN 226 CO 0.15 0.61 -0.28 0.74 -2.65 0.00 0.00 178.83 177.41 1w3i h PHE 227 N 0.95 0.40 -0.43 3.99 0.05 -0.73 0.12 116.94 121.29 1w3i h PHE 227 Ca 0.33 -0.08 -0.08 0.00 3.82 0.00 0.00 57.97 61.95 1w3i h PHE 227 Cb 0.06 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1w3i h PHE 227 CO -0.03 0.60 -0.05 -0.07 -0.18 0.00 0.00 178.31 178.57 1w3i h LEU 228 N 0.31 0.79 -0.85 1.54 3.38 -1.04 -2.81 115.31 116.64 1w3i h LEU 228 Ca 0.05 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1w3i h LEU 228 Cb 0.65 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1w3i h LEU 228 CO 0.05 0.94 0.53 -0.74 0.09 0.00 0.00 178.44 179.31 1w3i h HIS 229 N 0.63 1.10 -0.99 1.13 2.76 -0.93 -2.27 115.15 116.58 1w3i h HIS 229 Ca 0.12 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.45 1w3i h HIS 229 Cb 0.57 -0.36 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 1w3i h HIS 229 CO 0.04 0.72 0.62 -0.44 -1.30 0.00 0.00 177.93 177.57 1w3i h ASP 230 N 1.16 0.81 0.25 3.26 3.32 -0.62 -1.10 116.42 123.51 1w3i h ASP 230 Ca 0.31 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 1w3i h ASP 230 Cb -0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1w3i h ASP 230 CO -0.06 0.36 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.13 1w3i h GLU 231 N 0.83 0.16 -0.30 3.56 5.08 -1.16 -0.40 114.58 122.35 1w3i h GLU 231 Ca 0.52 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.70 1w3i h GLU 231 Cb 0.73 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1w3i h GLU 231 CO -0.30 0.50 -0.29 0.28 -1.00 0.00 0.00 179.01 178.20 1w3i h VAL 232 N 0.14 1.30 -0.33 3.13 2.07 -1.08 -1.18 116.25 120.30 1w3i h VAL 232 Ca 0.02 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.09 1w3i h VAL 232 Cb 0.71 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1w3i h VAL 232 CO 0.05 0.47 0.20 0.40 0.02 0.00 0.00 177.57 178.71 1w3i h ILE 233 N 0.47 1.05 -0.67 4.57 1.08 -0.86 -0.41 117.51 122.74 1w3i h ILE 233 Ca 0.05 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 1w3i h ILE 233 Cb 0.86 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 1w3i h ILE 233 CO 0.07 0.07 0.40 -0.33 -0.69 0.00 0.00 178.15 177.67 1w3i h GLU 234 N 0.41 0.73 -0.87 2.37 5.08 -1.03 -2.15 114.58 119.12 1w3i h GLU 234 Ca 0.13 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1w3i h GLU 234 Cb -0.02 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1w3i h GLU 234 CO -0.05 0.48 0.48 0.00 -1.00 0.00 0.00 179.01 178.93 1w3i h ALA 235 N 1.32 1.11 -0.01 3.43 0.00 -0.70 -1.72 119.26 122.69 1w3i h ALA 235 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1w3i h ALA 235 Cb 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1w3i h ALA 235 CO -0.15 0.61 0.01 0.66 0.00 0.00 0.00 179.25 180.39 1w3i h SER 236 N 1.21 0.00 1.29 0.00 4.64 -0.44 -2.34 113.55 117.92 1w3i h SER 236 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1w3i h SER 236 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1w3i h SER 236 CO -0.05 0.00 -0.15 0.54 -0.87 0.00 0.00 176.83 176.29 1w3i n ARG 237 N -3.94 0.25 -0.07 4.77 1.74 -0.65 -2.68 116.66 116.08 1w3i n ARG 237 Ca -0.03 0.17 -0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1w3i n ARG 237 Cb 0.10 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 1w3i n ARG 237 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1w3i h ILE 238 N 0.00 0.85 -0.04 0.55 2.04 -1.42 -3.02 117.51 116.47 1w3i h ILE 238 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1w3i h ILE 238 Cb 0.72 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1w3i h ILE 238 CO 0.00 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.66 1w3i n PHE 239 N -5.11 0.03 0.00 1.37 3.01 -1.26 -5.03 117.46 110.47 1w3i n PHE 239 Ca -0.01 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1w3i n PHE 239 Cb 0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1w3i n PHE 239 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1w3i n GLY 240 N 0.86 2.82 0.31 1.37 0.00 -1.14 -4.86 105.19 104.55 1w3i n GLY 240 Ca 0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1w3i n GLY 240 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w3i h SER 241 N 0.00 0.99 -0.21 1.61 4.64 -1.74 0.05 113.55 118.88 1w3i h SER 241 Ca 0.00 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1w3i h SER 241 Cb 0.00 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1w3i h SER 241 CO 0.00 0.91 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.79 1w3i h LEU 242 N 1.00 0.47 0.04 5.97 3.38 -1.95 0.30 115.31 124.52 1w3i h LEU 242 Ca 0.23 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1w3i h LEU 242 Cb 0.26 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.90 1w3i h LEU 242 CO -0.01 0.55 -0.68 0.28 0.09 0.00 0.00 178.44 178.67 1w3i h SER 243 N 0.48 0.53 0.32 -0.43 0.02 -1.81 -3.33 113.55 109.34 1w3i h SER 243 Ca 0.10 -0.81 -0.04 0.00 -0.84 0.00 0.00 61.79 60.21 1w3i h SER 243 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1w3i h SER 243 CO 0.01 1.28 -0.17 0.28 -1.14 0.00 0.00 176.83 177.09 1w3i h SER 244 N -0.16 0.00 -0.05 3.07 0.02 -0.50 -2.77 113.55 113.16 1w3i h SER 244 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1w3i h SER 244 Cb 1.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1w3i h SER 244 CO 0.13 0.17 0.01 0.78 -1.14 0.00 0.00 176.83 176.78 1w3i h ASN 245 N 0.00 0.12 -0.03 3.07 2.35 -1.05 -0.10 115.58 119.94 1w3i h ASN 245 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1w3i h ASN 245 Cb 0.38 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1w3i h ASN 245 CO 0.02 0.14 0.01 1.88 -1.65 0.00 0.00 177.43 177.83 1w3i h TYR 246 N 0.14 0.05 -0.35 1.19 -1.99 -1.68 -1.44 116.97 112.88 1w3i h TYR 246 Ca 0.03 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1w3i h TYR 246 Cb 0.08 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1w3i h TYR 246 CO 0.00 0.28 0.20 0.28 -0.00 0.00 0.00 178.16 178.92 1w3i h VAL 247 N -0.20 1.14 -0.55 -2.88 2.07 -1.50 -2.28 116.25 112.05 1w3i h VAL 247 Ca 0.01 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1w3i h VAL 247 Cb 0.26 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1w3i h VAL 247 CO 0.00 0.14 0.18 -0.07 0.02 0.00 0.00 177.57 177.84 1w3i h LEU 248 N 0.45 0.75 -0.24 2.57 3.38 -1.02 -0.92 115.31 120.29 1w3i h LEU 248 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1w3i h LEU 248 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1w3i h LEU 248 CO -0.02 0.71 0.03 0.74 0.09 0.00 0.00 178.44 179.98 1w3i h THR 249 N 0.80 1.23 -0.58 0.22 2.02 -1.02 0.11 112.91 115.69 1w3i h THR 249 Ca 0.18 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1w3i h THR 249 Cb 0.22 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1w3i h THR 249 CO -0.01 0.25 0.35 0.50 0.37 0.00 0.00 175.52 176.98 1w3i h LYS 250 N 0.19 0.67 -0.07 6.66 3.64 -1.28 0.65 116.57 127.03 1w3i h LYS 250 Ca 0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1w3i h LYS 250 Cb 0.34 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1w3i h LYS 250 CO 0.01 0.44 0.02 -0.92 -2.27 0.00 0.00 179.45 176.72 1w3i h TYR 251 N 0.69 0.12 0.01 1.91 3.20 -0.94 -1.75 116.97 120.20 1w3i h TYR 251 Ca 0.24 -0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.84 1w3i h TYR 251 Cb 0.03 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1w3i h TYR 251 CO -0.06 0.31 -1.36 0.74 -1.64 0.00 0.00 178.16 176.15 1w3i h PHE 252 N -0.11 0.03 0.00 -3.82 -1.00 -0.89 -3.38 116.94 107.76 1w3i h PHE 252 Ca 0.02 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1w3i h PHE 252 Cb 0.25 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1w3i h PHE 252 CO 0.01 1.02 -1.30 1.04 -1.61 0.00 0.00 178.31 177.47 1w3i n GLN 253 N -3.21 1.14 -1.06 1.51 1.13 0.21 -5.03 117.38 112.06 1w3i n GLN 253 Ca -0.09 -0.08 -0.02 0.00 -1.94 0.00 0.00 57.00 54.87 1w3i n GLN 253 Cb 1.00 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 30.06 1w3i n GLN 253 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1w3i n GLY 254 N 1.56 0.55 3.19 1.08 0.00 -0.66 -5.02 105.19 105.90 1w3i n GLY 254 Ca -0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1w3i n GLY 254 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1w3i s TYR 255 N -2.07 1.11 0.29 1.61 -0.85 -1.26 -5.05 117.35 111.13 1w3i s TYR 255 Ca 0.00 -0.69 0.06 0.00 -0.52 0.00 0.00 57.07 55.91 1w3i s TYR 255 Cb 0.00 -0.60 -0.02 0.00 0.38 0.00 0.00 41.96 41.73 1w3i s TYR 255 CO 0.00 0.01 0.42 0.16 -1.52 0.00 0.00 175.55 174.62 1w3i s ASP 256 N -2.65 6.12 -0.17 -0.18 -4.77 -1.26 -3.43 116.67 110.32 1w3i s ASP 256 Ca 0.09 -0.08 0.14 0.00 -3.30 0.00 0.00 52.55 49.40 1w3i s ASP 256 Cb -0.01 -1.50 0.37 0.00 -1.09 0.00 0.00 42.92 40.69 1w3i s ASP 256 CO -0.00 -0.27 1.19 0.18 0.70 0.00 0.00 175.17 176.97 1w3i n LEU 257 N -1.54 2.45 0.00 2.11 4.77 -1.26 -4.97 117.00 118.56 1w3i n LEU 257 Ca -0.04 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.43 1w3i n LEU 257 Cb 0.58 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1w3i n LEU 257 CO 0.43 1.14 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1w3i n GLY 258 N -1.09 2.13 3.38 -0.72 0.00 -1.26 -3.86 105.19 103.77 1w3i n GLY 258 Ca 0.17 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1w3i n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w3i s TYR 259 N 0.00 2.13 0.79 1.61 1.51 -0.38 -4.88 117.35 118.14 1w3i s TYR 259 Ca 0.00 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 1w3i s TYR 259 Cb 0.00 -1.08 0.19 0.00 -0.11 0.00 0.00 41.96 40.95 1w3i s TYR 259 CO 0.00 0.40 0.97 -0.35 -1.11 0.00 0.00 175.55 175.46 1w3i n PRO 260 N 0.46 -1.39 -3.67 -1.71 -0.04 -1.26 -1.55 135.00 125.85 1w3i n PRO 260 Ca -0.14 -1.51 -0.39 0.00 -0.04 0.00 0.00 63.50 61.42 1w3i n PRO 260 Cb 0.55 -1.09 -0.12 0.00 -0.04 0.00 0.00 33.50 32.80 1w3i n PRO 260 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1w3i s ARG 261 N -5.14 3.16 0.27 0.54 3.52 -1.24 -4.81 118.95 115.26 1w3i s ARG 261 Ca 0.57 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1w3i s ARG 261 Cb -0.02 -3.55 -0.14 0.00 -1.56 0.00 0.00 34.95 29.67 1w3i s ARG 261 CO 0.41 -0.48 1.14 -2.30 -0.81 0.00 0.00 175.30 173.25 1w3i n PRO 262 N 4.96 1.56 0.00 5.12 -0.02 -1.26 -1.26 135.00 144.10 1w3i n PRO 262 Ca -0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1w3i n PRO 262 Cb 0.48 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1w3i n PRO 262 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1w3i n PRO 263 N 1.03 0.84 -2.77 0.52 -0.04 -1.26 -4.98 135.00 128.34 1w3i n PRO 263 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1w3i n PRO 263 Cb 0.31 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1w3i n PRO 263 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1w3i s ILE 264 N -2.00 4.35 0.33 0.52 -1.09 -0.38 -5.01 121.20 117.92 1w3i s ILE 264 Ca 0.01 -1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 57.13 1w3i s ILE 264 Cb 0.01 -4.88 -0.10 0.00 -1.58 0.00 0.00 42.46 35.91 1w3i s ILE 264 CO 0.01 -1.68 0.88 -0.36 -1.23 0.00 0.00 174.94 172.57 1w3i s PHE 265 N 3.78 3.56 0.59 3.97 0.40 -1.26 -3.65 117.98 125.37 1w3i s PHE 265 Ca 0.37 1.61 -0.19 0.00 -0.60 0.00 0.00 56.93 58.12 1w3i s PHE 265 Cb -0.04 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 1w3i s PHE 265 CO -0.07 0.15 1.19 -1.25 0.70 0.00 0.00 175.22 175.94 1w3i s PRO 266 N -2.40 3.00 0.48 0.24 0.04 -1.26 -4.73 135.00 130.37 1w3i s PRO 266 Ca 0.52 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 1w3i s PRO 266 Cb -0.15 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1w3i s PRO 266 CO 0.20 -1.17 1.24 -0.51 0.04 0.00 0.00 177.00 176.80 1w3i s LEU 267 N -4.08 3.98 0.85 -3.56 1.43 -1.26 -5.03 118.68 111.00 1w3i s LEU 267 Ca 0.76 2.49 -0.10 0.00 -1.03 0.00 0.00 54.13 56.26 1w3i s LEU 267 Cb -0.29 -4.22 0.15 0.00 0.03 0.00 0.00 46.19 41.86 1w3i s LEU 267 CO 0.33 -1.13 1.17 1.51 0.23 0.00 0.00 176.35 178.46 1w3i s ASP 268 N -1.17 3.78 0.29 2.29 1.47 -1.26 -4.81 116.67 117.26 1w3i s ASP 268 Ca 0.66 0.11 -0.02 0.00 1.18 0.00 0.00 52.55 54.48 1w3i s ASP 268 Cb -0.33 -0.36 0.42 0.00 -0.34 0.00 0.00 42.92 42.31 1w3i s ASP 268 CO 0.40 -2.28 1.91 0.44 0.68 0.00 0.00 175.17 176.32 1w3i h ASP 269 N -1.14 0.89 -0.30 2.11 3.32 -1.99 -0.27 116.42 119.05 1w3i h ASP 269 Ca -0.42 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 1w3i h ASP 269 Cb 1.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1w3i h ASP 269 CO 0.43 0.72 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.37 1w3i h GLU 270 N 1.00 0.67 -0.46 3.56 4.57 -1.99 -0.67 114.58 121.26 1w3i h GLU 270 Ca 0.25 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1w3i h GLU 270 Cb 0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1w3i h GLU 270 CO -0.04 0.93 0.28 0.93 -1.18 0.00 0.00 179.01 179.93 1w3i h GLU 271 N 0.42 0.56 -0.17 1.92 5.08 -1.86 -0.36 114.58 120.17 1w3i h GLU 271 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1w3i h GLU 271 Cb 0.77 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1w3i h GLU 271 CO 0.06 0.37 0.08 1.49 -1.00 0.00 0.00 179.01 180.01 1w3i h GLU 272 N 0.57 0.17 -0.67 2.33 4.81 -0.94 -0.63 114.58 120.22 1w3i h GLU 272 Ca 0.18 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1w3i h GLU 272 Cb -0.01 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1w3i h GLU 272 CO -0.07 0.11 0.31 0.00 -0.73 0.00 0.00 179.01 178.64 1w3i h ARG 273 N 0.17 0.53 -0.32 1.92 3.08 -0.81 -0.35 114.38 118.61 1w3i h ARG 273 Ca 0.07 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1w3i h ARG 273 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1w3i h ARG 273 CO -0.05 0.35 -0.27 1.96 -1.07 0.00 0.00 179.97 180.89 1w3i h GLN 274 N 0.55 0.66 -0.17 0.04 4.20 -0.77 -1.87 115.11 117.75 1w3i h GLN 274 Ca 0.33 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1w3i h GLN 274 Cb 0.34 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1w3i h GLN 274 CO -0.26 0.86 -0.05 1.25 -0.67 0.00 0.00 178.83 179.95 1w3i h LEU 275 N 0.57 0.33 -0.94 1.46 5.85 -0.69 -2.29 115.31 119.61 1w3i h LEU 275 Ca 0.07 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 58.54 1w3i h LEU 275 Cb 0.75 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 1w3i h LEU 275 CO 0.06 0.64 0.56 0.40 -0.34 0.00 0.00 178.44 179.76 1w3i h ILE 276 N 0.02 0.87 -0.00 4.05 2.04 -1.01 -1.03 117.51 122.45 1w3i h ILE 276 Ca 0.04 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1w3i h ILE 276 Cb 0.50 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1w3i h ILE 276 CO 0.02 0.16 -0.18 0.50 0.00 0.00 0.00 178.15 178.65 1w3i h LYS 277 N 0.87 0.00 0.00 2.37 3.64 -1.00 0.63 116.57 123.08 1w3i h LYS 277 Ca 0.47 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.77 1w3i h LYS 277 Cb 0.52 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1w3i h LYS 277 CO -0.29 0.18 -0.38 0.87 -2.27 0.00 0.00 179.45 177.56 1w3i h LYS 278 N 0.00 0.00 -0.01 1.90 1.79 -0.64 -3.33 116.57 116.28 1w3i h LYS 278 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1w3i h LYS 278 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1w3i h LYS 278 CO 0.02 0.38 -0.20 1.33 -1.08 0.00 0.00 179.45 179.91 1w3i n VAL 279 N -3.37 0.00 -0.00 0.50 0.24 -0.67 -4.70 118.33 110.32 1w3i n VAL 279 Ca 0.01 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 61.87 1w3i n VAL 279 Cb 0.57 1.10 0.20 0.00 -1.47 0.00 0.00 33.84 34.24 1w3i n VAL 279 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1w3i h GLU 280 N 0.91 0.53 -0.58 7.34 4.11 -1.02 -1.37 114.58 124.51 1w3i h GLU 280 Ca 0.00 -0.19 -0.05 0.00 0.07 0.00 0.00 59.36 59.19 1w3i h GLU 280 Cb 0.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1w3i h GLU 280 CO 0.00 0.71 0.14 0.78 0.07 0.00 0.00 179.01 180.70 1w3i h GLY 281 N 0.98 0.96 0.97 1.06 0.00 -1.84 -2.01 103.07 103.19 1w3i h GLY 281 Ca 0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1w3i h GLY 281 CO 0.04 0.53 -0.03 -2.22 0.00 0.00 0.00 176.54 174.86 1w3i h ILE 282 N 0.85 1.27 -0.78 2.60 2.04 -1.68 -2.31 117.51 119.50 1w3i h ILE 282 Ca 0.19 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.03 1w3i h ILE 282 Cb 0.31 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1w3i h ILE 282 CO -0.00 0.36 0.46 -0.09 0.00 0.00 0.00 178.15 178.89 1w3i h ARG 283 N 0.58 0.82 -0.78 2.37 2.43 -1.12 -0.78 114.38 117.89 1w3i h ARG 283 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1w3i h ARG 283 Cb 0.52 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1w3i h ARG 283 CO 0.03 0.54 0.40 0.00 -1.51 0.00 0.00 179.97 179.43 1w3i h ALA 284 N 1.38 1.01 -0.55 2.80 0.00 -1.12 -0.86 119.26 121.91 1w3i h ALA 284 Ca 0.34 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1w3i h ALA 284 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1w3i h ALA 284 CO -0.18 0.54 0.08 0.87 0.00 0.00 0.00 179.25 180.56 1w3i h LYS 285 N 1.09 0.92 -0.38 0.00 1.57 -0.83 -1.90 116.57 117.05 1w3i h LYS 285 Ca 0.27 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1w3i h LYS 285 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1w3i h LYS 285 CO -0.04 0.89 0.00 -0.07 -0.57 0.00 0.00 179.45 179.67 1w3i h LEU 286 N 0.81 0.56 -0.25 2.94 3.38 -0.59 0.58 115.31 122.74 1w3i h LEU 286 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1w3i h LEU 286 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1w3i h LEU 286 CO 0.01 0.63 0.06 0.58 0.09 0.00 0.00 178.44 179.81 1w3i h VAL 287 N 0.57 1.21 0.00 1.22 2.07 -1.04 -0.21 116.25 120.06 1w3i h VAL 287 Ca 0.12 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1w3i h VAL 287 Cb 0.36 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1w3i h VAL 287 CO 0.01 0.22 -0.18 -0.08 0.02 0.00 0.00 177.57 177.56 1w3i h GLU 288 N 0.23 0.00 -0.00 1.57 4.81 -0.70 0.04 114.58 120.52 1w3i h GLU 288 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1w3i h GLU 288 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1w3i h GLU 288 CO 0.00 0.18 -0.02 1.28 -0.73 0.00 0.00 179.01 179.71 1w3i n LEU 289 N -3.67 0.52 -1.51 1.64 4.77 0.14 -4.92 117.00 113.96 1w3i n LEU 289 Ca -0.01 -0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 1w3i n LEU 289 Cb 0.30 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1w3i n LEU 289 CO 0.32 0.09 -0.18 0.29 -1.33 0.00 0.00 177.39 176.58 1w3i n LYS 290 N -0.67 -1.27 0.15 3.23 5.02 -0.00 -4.89 118.16 119.72 1w3i n LYS 290 Ca 0.20 1.05 -0.24 0.00 -2.02 0.00 0.00 58.31 57.30 1w3i n LYS 290 Cb 0.22 -5.36 -0.16 0.00 -0.02 0.00 0.00 35.03 29.72 1w3i n LYS 290 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1w3i h ILE 291 N 0.00 1.29 -3.36 -0.18 2.04 -1.25 -3.45 117.51 112.60 1w3i h ILE 291 Ca -0.37 -2.72 -0.65 0.00 1.00 0.00 0.00 64.86 62.11 1w3i h ILE 291 Cb 1.19 3.04 -0.16 0.00 -0.74 0.00 0.00 36.82 40.15 1w3i h ILE 291 CO 0.52 0.82 -0.75 -0.76 0.00 0.00 0.00 178.15 177.97 1w3i s LEU 292 N -7.56 2.90 0.29 1.44 1.43 -1.03 -4.88 118.68 111.27 1w3i s LEU 292 Ca -0.09 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 1w3i s LEU 292 Cb 0.04 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 1w3i s LEU 292 CO 0.94 0.14 0.58 -0.54 0.23 0.00 0.00 176.35 177.71 1w3i s LYS 293 N -2.47 3.69 0.00 1.70 -0.14 -1.26 -4.20 119.74 117.06 1w3i s LYS 293 Ca 0.22 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 54.97 1w3i s LYS 293 Cb -0.10 -2.61 0.09 0.00 -1.68 0.00 0.00 37.83 33.53 1w3i s LYS 293 CO 0.13 0.20 0.58 0.39 -0.76 0.00 0.00 175.35 175.89