#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw9 n ASP 2 N 0.00 0.00 0.00 0.00 4.64 -1.26 -5.11 116.55 114.82 3mw9 n ASP 2 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3mw9 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3mw9 n ASP 2 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 3mw9 n ARG 3 N 0.00 0.00 0.07 -0.67 1.85 -1.26 -4.91 116.66 111.74 3mw9 n ARG 3 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 3mw9 n ARG 3 Cb 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 32.46 31.77 3mw9 n ARG 3 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3mw9 n GLU 4 N 0.00 0.08 -3.04 2.89 -0.58 -1.26 -4.42 120.64 114.32 3mw9 n GLU 4 Ca 0.00 0.41 0.02 0.00 -0.42 0.00 0.00 57.16 57.17 3mw9 n GLU 4 Cb 0.00 -1.69 -0.00 0.00 -0.57 0.00 0.00 31.44 29.18 3mw9 n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3mw9 s ASP 5 N -3.56 -1.01 -0.40 1.62 2.15 -1.26 -4.96 116.67 109.25 3mw9 s ASP 5 Ca 0.03 -0.40 0.09 0.00 0.43 0.00 0.00 52.55 52.70 3mw9 s ASP 5 Cb 0.07 1.35 0.28 0.00 -0.30 0.00 0.00 42.92 44.32 3mw9 s ASP 5 CO 0.25 -0.12 0.68 -0.67 -0.17 0.00 0.00 175.17 175.13 3mw9 n ASP 6 N 4.29 -0.29 -4.73 -0.34 2.03 -1.26 -4.47 116.55 111.78 3mw9 n ASP 6 Ca 0.08 -2.94 -0.34 0.00 0.52 0.00 0.00 54.79 52.11 3mw9 n ASP 6 Cb 0.59 -0.08 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 3mw9 n ASP 6 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3mw9 s PRO 7 N -1.14 2.39 0.06 -0.67 0.04 -1.26 -4.91 135.00 129.52 3mw9 s PRO 7 Ca 0.35 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 3mw9 s PRO 7 Cb 0.24 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 3mw9 s PRO 7 CO -0.12 -1.64 1.93 -1.71 0.04 0.00 0.00 177.00 175.50 3mw9 n ASN 8 N -2.44 4.09 -0.19 6.66 2.85 -1.26 -4.88 115.26 120.09 3mw9 n ASN 8 Ca 0.13 0.93 -0.05 0.00 -0.11 0.00 0.00 54.58 55.49 3mw9 n ASN 8 Cb 0.50 -1.52 0.05 0.00 1.24 0.00 0.00 39.78 40.05 3mw9 n ASN 8 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3mw9 h PHE 9 N 9.86 0.61 -0.56 1.20 -0.00 -1.90 0.01 116.94 126.15 3mw9 h PHE 9 Ca -0.49 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.48 3mw9 h PHE 9 Cb 1.24 -0.19 -0.03 0.00 -0.00 0.00 0.00 35.95 36.97 3mw9 h PHE 9 CO 0.90 0.34 0.26 0.35 -0.00 0.00 0.00 178.31 180.15 3mw9 h PHE 10 N 0.64 0.82 -0.10 0.41 3.04 -1.90 -2.14 116.94 117.70 3mw9 h PHE 10 Ca 0.23 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.99 3mw9 h PHE 10 Cb 0.05 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 3mw9 h PHE 10 CO -0.07 0.64 -0.55 0.87 -2.02 0.00 0.00 178.31 177.18 3mw9 h LYS 11 N 0.76 0.31 -0.80 1.11 1.57 -1.84 -2.17 116.57 115.51 3mw9 h LYS 11 Ca 0.19 -0.19 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3mw9 h LYS 11 Cb 0.13 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 3mw9 h LYS 11 CO -0.02 0.78 0.34 1.98 -0.57 0.00 0.00 179.45 181.96 3mw9 h MET 12 N 0.24 0.46 -0.25 3.15 4.05 -0.57 0.43 114.93 122.44 3mw9 h MET 12 Ca 0.00 -0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 3mw9 h MET 12 Cb 1.05 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 3mw9 h MET 12 CO 0.09 0.30 -0.58 0.28 0.23 0.00 0.00 176.91 177.23 3mw9 h VAL 13 N 0.47 1.28 -0.97 -5.77 2.07 -1.11 -2.43 116.25 109.79 3mw9 h VAL 13 Ca 0.45 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3mw9 h VAL 13 Cb 0.71 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 3mw9 h VAL 13 CO -0.42 0.57 0.63 -0.33 0.02 0.00 0.00 177.57 178.05 3mw9 h GLU 14 N 0.61 1.18 -0.32 1.57 5.08 -0.65 -0.90 114.58 121.16 3mw9 h GLU 14 Ca 0.00 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3mw9 h GLU 14 Cb 1.19 -0.27 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 3mw9 h GLU 14 CO 0.13 0.78 -0.15 0.78 -1.00 0.00 0.00 179.01 179.55 3mw9 h GLY 15 N 1.22 0.11 0.75 -3.84 0.00 0.11 0.37 103.07 101.79 3mw9 h GLY 15 Ca 0.39 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.96 3mw9 h GLY 15 CO -0.13 -0.16 0.45 0.74 0.00 0.00 0.00 176.54 177.44 3mw9 h PHE 16 N -0.09 0.84 -0.60 5.60 0.05 -1.02 -2.15 116.94 119.56 3mw9 h PHE 16 Ca 0.16 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.94 3mw9 h PHE 16 Cb 0.34 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 38.00 3mw9 h PHE 16 CO -0.35 0.43 0.20 0.35 -0.18 0.00 0.00 178.31 178.76 3mw9 h PHE 17 N 0.85 0.92 -0.00 -0.55 3.57 0.27 -2.64 116.94 119.35 3mw9 h PHE 17 Ca 0.32 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3mw9 h PHE 17 Cb 0.14 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 3mw9 h PHE 17 CO -0.05 0.73 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.32 3mw9 h ASP 18 N 0.88 0.01 -0.62 0.41 3.32 0.03 -0.65 116.42 119.81 3mw9 h ASP 18 Ca 0.20 -0.43 0.12 0.00 0.02 0.00 0.00 57.03 56.94 3mw9 h ASP 18 Cb 0.23 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.66 3mw9 h ASP 18 CO -0.01 0.44 -0.15 -0.09 -1.72 0.00 0.00 179.24 177.71 3mw9 h ARG 19 N -0.42 -0.00 -0.89 3.56 9.65 -1.27 0.71 114.38 125.72 3mw9 h ARG 19 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3mw9 h ARG 19 Cb 0.44 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 3mw9 h ARG 19 CO 0.00 -0.00 0.52 0.78 2.80 0.00 0.00 179.97 184.07 3mw9 h GLY 20 N -0.00 1.30 0.76 2.80 0.00 -1.38 -2.99 103.07 103.57 3mw9 h GLY 20 Ca 0.30 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3mw9 h GLY 20 CO -0.64 0.54 0.17 0.00 0.00 0.00 0.00 176.54 176.61 3mw9 h ALA 21 N 1.34 0.45 -0.41 3.60 0.00 0.72 -2.88 119.26 122.09 3mw9 h ALA 21 Ca 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3mw9 h ALA 21 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mw9 h ALA 21 CO -0.06 -0.21 -0.01 0.66 0.00 0.00 0.00 179.25 179.64 3mw9 h SER 22 N 0.34 0.63 -0.82 0.00 4.64 -1.13 0.70 113.55 117.91 3mw9 h SER 22 Ca 0.16 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3mw9 h SER 22 Cb 0.10 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 3mw9 h SER 22 CO -0.14 0.70 0.54 0.40 -0.87 0.00 0.00 176.83 177.47 3mw9 h ILE 23 N 0.63 1.21 0.00 0.95 1.08 -1.42 -3.28 117.51 116.66 3mw9 h ILE 23 Ca 0.13 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3mw9 h ILE 23 Cb 0.40 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 3mw9 h ILE 23 CO 0.02 0.20 -1.60 1.33 -0.69 0.00 0.00 178.15 177.41 3mw9 n VAL 24 N -4.52 0.11 -0.39 1.67 0.24 -0.97 -4.49 118.33 109.97 3mw9 n VAL 24 Ca 0.09 -0.41 0.31 0.00 -2.04 0.00 0.00 64.34 62.29 3mw9 n VAL 24 Cb 0.02 0.11 0.59 0.00 -1.47 0.00 0.00 33.84 33.09 3mw9 n VAL 24 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3mw9 h GLU 25 N 0.00 0.19 0.57 7.34 4.81 -0.93 0.40 114.58 126.96 3mw9 h GLU 25 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3mw9 h GLU 25 Cb 0.90 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.24 3mw9 h GLU 25 CO 0.00 0.13 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.69 3mw9 h ASP 26 N 0.20 -0.65 -0.73 1.04 3.45 -1.80 -2.32 116.42 115.60 3mw9 h ASP 26 Ca 0.74 -0.03 0.18 0.00 0.43 0.00 0.00 57.03 58.35 3mw9 h ASP 26 Cb 2.17 0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 41.07 3mw9 h ASP 26 CO -0.39 -0.36 0.51 0.50 -1.57 0.00 0.00 179.24 177.93 3mw9 h LYS 27 N -0.94 0.19 -0.08 3.56 3.64 -0.54 0.29 116.57 122.70 3mw9 h LYS 27 Ca -0.08 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 3mw9 h LYS 27 Cb 0.65 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3mw9 h LYS 27 CO 0.13 0.13 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.82 3mw9 h LEU 28 N 0.19 0.61 -0.43 5.20 3.38 -1.12 -2.55 115.31 120.60 3mw9 h LEU 28 Ca 0.36 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3mw9 h LEU 28 Cb 1.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3mw9 h LEU 28 CO -0.07 1.19 0.24 0.58 0.09 0.00 0.00 178.44 180.47 3mw9 h VAL 29 N 0.08 1.16 0.00 1.22 2.07 -0.75 -3.17 116.25 116.85 3mw9 h VAL 29 Ca -0.05 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3mw9 h VAL 29 Cb 1.20 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3mw9 h VAL 29 CO 0.11 0.16 0.00 1.21 0.02 0.00 0.00 177.57 179.07 3mw9 n GLU 30 N -4.71 0.00 0.00 1.57 4.07 0.95 -2.50 120.64 120.02 3mw9 n GLU 30 Ca 0.01 0.28 0.03 0.00 -0.06 0.00 0.00 57.16 57.41 3mw9 n GLU 30 Cb 0.08 -0.93 0.16 0.00 -0.06 0.00 0.00 31.44 30.69 3mw9 n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3mw9 n ASP 31 N -0.71 0.00 -4.58 4.31 3.85 -0.97 -4.50 116.55 113.96 3mw9 n ASP 31 Ca 0.00 -0.19 -0.43 0.00 -0.71 0.00 0.00 54.79 53.46 3mw9 n ASP 31 Cb 0.00 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.74 3mw9 n ASP 31 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3mw9 s LEU 32 N -1.93 3.64 -0.39 -2.12 2.96 -1.04 -5.00 118.68 114.79 3mw9 s LEU 32 Ca 0.08 0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.01 3mw9 s LEU 32 Cb 0.04 -3.25 0.01 0.00 0.50 0.00 0.00 46.19 43.48 3mw9 s LEU 32 CO 0.06 -1.34 0.31 -0.54 -1.32 0.00 0.00 176.35 173.52 3mw9 s LYS 33 N 4.56 3.13 -0.03 1.98 -0.14 -1.26 -4.99 119.74 123.00 3mw9 s LYS 33 Ca 0.43 -0.87 -0.06 0.00 -1.36 0.00 0.00 55.97 54.10 3mw9 s LYS 33 Cb -0.08 -3.93 0.01 0.00 -1.68 0.00 0.00 37.83 32.14 3mw9 s LYS 33 CO 0.27 -0.68 0.13 0.99 -0.76 0.00 0.00 175.35 175.30 3mw9 s THR 34 N 1.76 0.04 0.03 2.17 2.01 -1.26 -5.08 115.64 115.32 3mw9 s THR 34 Ca 0.06 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 3mw9 s THR 34 Cb -0.18 -0.31 -0.14 0.00 0.01 0.00 0.00 72.50 71.87 3mw9 s THR 34 CO 0.11 -0.19 1.30 -0.09 -0.69 0.00 0.00 174.62 175.05 3mw9 h ARG 35 N 5.13 -0.89 -0.69 4.92 9.65 -2.07 -2.41 114.38 128.02 3mw9 h ARG 35 Ca -0.28 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3mw9 h ARG 35 Cb 1.20 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 3mw9 h ARG 35 CO 0.41 -0.59 0.00 0.39 2.80 0.00 0.00 179.97 182.98 3mw9 n GLU 36 N -4.66 0.61 -0.96 0.20 -0.58 -1.26 -4.89 120.64 109.09 3mw9 n GLU 36 Ca -0.11 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 3mw9 n GLU 36 Cb 0.37 -1.29 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 3mw9 n GLU 36 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3mw9 n THR 37 N 0.25 1.30 0.00 2.62 5.66 -0.91 -4.73 114.28 118.47 3mw9 n THR 37 Ca 0.00 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 3mw9 n THR 37 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 3mw9 n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3mw9 n GLU 38 N 0.72 0.00 -0.07 1.09 1.02 -1.26 -4.88 120.64 117.25 3mw9 n GLU 38 Ca 0.12 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.35 3mw9 n GLU 38 Cb 0.18 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.72 3mw9 n GLU 38 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3mw9 n GLU 39 N 0.00 1.42 0.03 3.49 0.00 -1.26 -4.34 120.64 119.98 3mw9 n GLU 39 Ca 0.00 -2.42 0.13 0.00 0.00 0.00 0.00 57.16 54.87 3mw9 n GLU 39 Cb 0.00 -1.42 0.35 0.00 0.00 0.00 0.00 31.44 30.37 3mw9 n GLU 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3mw9 n GLN 40 N -1.30 0.12 0.14 3.44 -0.06 -1.26 -3.38 117.38 115.08 3mw9 n GLN 40 Ca 0.14 0.06 -0.14 0.00 -2.00 0.00 0.00 57.00 55.06 3mw9 n GLN 40 Cb 0.60 -1.60 -0.08 0.00 -4.06 0.00 0.00 30.24 25.10 3mw9 n GLN 40 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 3mw9 h LYS 41 N 0.00 -0.30 -0.80 3.69 1.57 -1.85 -2.17 116.57 116.71 3mw9 h LYS 41 Ca 0.00 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.97 3mw9 h LYS 41 Cb 0.61 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.88 3mw9 h LYS 41 CO 0.00 -0.13 0.33 0.00 -0.57 0.00 0.00 179.45 179.08 3mw9 h ARG 42 N -0.41 0.42 0.00 3.15 2.47 -1.83 0.17 114.38 118.35 3mw9 h ARG 42 Ca -0.03 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3mw9 h ARG 42 Cb 0.31 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3mw9 h ARG 42 CO 0.05 0.28 0.00 -0.91 0.56 0.00 0.00 179.97 179.95 3mw9 h ASN 43 N 0.43 0.00 0.13 7.04 2.35 -1.55 -0.80 115.58 123.18 3mw9 h ASN 43 Ca 0.46 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.02 3mw9 h ASN 43 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.14 3mw9 h ASN 43 CO -0.45 0.00 -0.86 -0.09 -1.65 0.00 0.00 177.43 174.38 3mw9 h ARG 44 N 0.00 0.27 -0.40 0.81 2.43 -0.47 -2.71 114.38 114.31 3mw9 h ARG 44 Ca 0.00 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3mw9 h ARG 44 Cb 0.75 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3mw9 h ARG 44 CO 0.00 1.22 0.22 0.28 -1.51 0.00 0.00 179.97 180.18 3mw9 h VAL 45 N -0.40 1.15 -0.53 0.20 2.07 -0.87 0.65 116.25 118.52 3mw9 h VAL 45 Ca -0.16 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3mw9 h VAL 45 Cb 1.62 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3mw9 h VAL 45 CO 0.13 0.16 0.09 0.03 0.02 0.00 0.00 177.57 178.00 3mw9 h ARG 46 N 0.51 0.84 0.16 1.57 3.08 -1.30 -2.01 114.38 117.24 3mw9 h ARG 46 Ca 0.14 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3mw9 h ARG 46 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3mw9 h ARG 46 CO -0.02 0.78 -0.21 0.77 -1.07 0.00 0.00 179.97 180.22 3mw9 h SER 47 N 0.80 -0.58 0.41 7.04 0.02 -1.01 -1.20 113.55 119.04 3mw9 h SER 47 Ca 0.17 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3mw9 h SER 47 Cb 0.35 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3mw9 h SER 47 CO 0.01 -0.30 -0.20 0.40 -1.14 0.00 0.00 176.83 175.59 3mw9 h ILE 48 N -0.43 0.60 -0.88 3.27 2.04 -0.82 -1.77 117.51 119.53 3mw9 h ILE 48 Ca 0.01 -0.12 0.25 0.00 1.00 0.00 0.00 64.86 66.01 3mw9 h ILE 48 Cb 0.42 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3mw9 h ILE 48 CO -0.09 0.02 0.68 -0.07 0.00 0.00 0.00 178.15 178.70 3mw9 h LEU 49 N -0.62 0.00 -0.60 1.44 3.38 -1.31 0.74 115.31 118.34 3mw9 h LEU 49 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 3mw9 h LEU 49 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3mw9 h LEU 49 CO 0.09 0.00 -0.69 -0.09 0.09 0.00 0.00 178.44 177.84 3mw9 h ARG 50 N 0.00 0.06 0.09 1.13 2.43 -0.35 -3.11 114.38 114.64 3mw9 h ARG 50 Ca 0.42 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 59.27 3mw9 h ARG 50 Cb 1.78 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 3mw9 h ARG 50 CO -0.00 0.73 -1.26 0.82 -1.51 0.00 0.00 179.97 178.75 3mw9 h ILE 51 N 0.04 1.46 -0.44 1.20 2.04 0.89 -3.28 117.51 119.43 3mw9 h ILE 51 Ca -0.01 -3.09 -0.01 0.00 1.00 0.00 0.00 64.86 62.75 3mw9 h ILE 51 Cb 1.23 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 40.16 3mw9 h ILE 51 CO 0.09 0.89 0.23 0.40 0.00 0.00 0.00 178.15 179.76 3mw9 h ILE 52 N 0.05 1.14 0.37 -0.67 2.04 -1.20 -3.35 117.51 115.90 3mw9 h ILE 52 Ca -0.13 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3mw9 h ILE 52 Cb 1.94 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3mw9 h ILE 52 CO 0.18 0.16 -0.18 0.11 0.00 0.00 0.00 178.15 178.42 3mw9 h LYS 53 N 0.61 -0.48 -7.38 2.37 1.57 -1.59 -3.45 116.57 108.21 3mw9 h LYS 53 Ca 0.16 0.03 -0.48 0.00 -1.87 0.00 0.00 60.65 58.49 3mw9 h LYS 53 Cb 0.04 0.11 0.08 0.00 0.08 0.00 0.00 32.23 32.53 3mw9 h LYS 53 CO -0.02 -0.24 0.33 -1.25 -0.57 0.00 0.00 179.45 177.70 3mw9 s PRO 54 N -5.47 2.68 0.06 3.15 0.04 -1.26 -5.01 135.00 129.19 3mw9 s PRO 54 Ca -0.15 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 3mw9 s PRO 54 Cb 0.03 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3mw9 s PRO 54 CO 0.60 -1.04 0.99 0.00 0.04 0.00 0.00 177.00 177.58 3mw9 h ASN 56 N 6.21 0.11 -3.58 0.00 -0.26 -1.31 -3.46 115.58 113.28 3mw9 h ASN 56 Ca -0.42 -0.33 -0.35 0.00 -0.56 0.00 0.00 56.30 54.63 3mw9 h ASN 56 Cb 1.22 -0.03 -0.33 0.00 -1.06 0.00 0.00 38.32 38.12 3mw9 h ASN 56 CO 0.74 0.41 -0.75 -1.00 -1.06 0.00 0.00 177.43 175.77 3mw9 s HIS 57 N -4.87 0.46 -0.06 1.19 3.76 -0.96 -5.05 115.29 109.75 3mw9 s HIS 57 Ca -0.15 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3mw9 s HIS 57 Cb 0.04 -0.44 0.02 0.00 1.11 0.00 0.00 32.58 33.31 3mw9 s HIS 57 CO 0.69 -0.11 -0.05 0.08 -0.85 0.00 0.00 174.74 174.50 3mw9 s VAL 58 N 0.70 0.64 -0.21 -0.90 1.01 -1.26 -0.09 120.40 120.28 3mw9 s VAL 58 Ca -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3mw9 s VAL 58 Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3mw9 s VAL 58 CO -0.01 0.27 0.03 -0.22 0.00 0.00 0.00 175.10 175.17 3mw9 s LEU 59 N 1.28 3.37 -0.13 3.92 2.96 -0.21 -4.98 118.68 124.89 3mw9 s LEU 59 Ca -0.05 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3mw9 s LEU 59 Cb -0.14 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3mw9 s LEU 59 CO -0.02 0.04 0.01 -0.44 -1.32 0.00 0.00 176.35 174.62 3mw9 s SER 60 N 1.14 5.26 0.05 3.68 0.01 -1.26 -1.28 113.70 121.31 3mw9 s SER 60 Ca 0.03 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 3mw9 s SER 60 Cb -0.14 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3mw9 s SER 60 CO 0.02 0.26 -0.02 -1.48 0.41 0.00 0.00 173.24 172.43 3mw9 s LEU 61 N -0.18 2.43 -0.04 2.44 0.05 -0.32 -5.01 118.68 118.05 3mw9 s LEU 61 Ca 0.05 -0.96 0.01 0.00 0.05 0.00 0.00 54.13 53.28 3mw9 s LEU 61 Cb -0.12 0.23 0.02 0.00 -2.05 0.00 0.00 46.19 44.26 3mw9 s LEU 61 CO 0.02 -0.59 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.73 3mw9 s SER 62 N -2.86 1.00 -0.03 1.48 0.01 -1.26 -1.70 113.70 110.34 3mw9 s SER 62 Ca 0.06 -0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 3mw9 s SER 62 Cb 0.07 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.89 3mw9 s SER 62 CO -0.10 -0.01 0.10 0.72 0.41 0.00 0.00 173.24 174.36 3mw9 s PHE 63 N 0.66 -0.08 -0.03 2.43 -0.12 -0.82 -4.98 117.98 115.04 3mw9 s PHE 63 Ca -0.09 0.19 -0.30 0.00 -0.05 0.00 0.00 56.93 56.68 3mw9 s PHE 63 Cb -0.12 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3mw9 s PHE 63 CO 0.01 -0.09 1.08 -1.25 -0.05 0.00 0.00 175.22 174.91 3mw9 s PRO 64 N -0.20 4.45 -0.00 1.99 0.04 -1.26 -1.74 135.00 138.27 3mw9 s PRO 64 Ca -0.03 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.59 3mw9 s PRO 64 Cb -0.02 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 3mw9 s PRO 64 CO 0.00 -0.25 -0.12 0.42 0.04 0.00 0.00 177.00 177.09 3mw9 s ILE 65 N 1.58 3.26 -0.30 0.56 -1.09 0.22 -4.98 121.20 120.46 3mw9 s ILE 65 Ca 0.53 -0.87 -0.14 0.00 -2.23 0.00 0.00 60.65 57.93 3mw9 s ILE 65 Cb -0.23 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.26 3mw9 s ILE 65 CO 0.24 0.43 0.34 -0.60 -1.23 0.00 0.00 174.94 174.12 3mw9 s ARG 66 N -1.24 3.80 0.91 2.79 3.52 -1.26 -0.23 118.95 127.24 3mw9 s ARG 66 Ca 0.15 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.43 3mw9 s ARG 66 Cb -0.11 -3.72 0.14 0.00 -1.56 0.00 0.00 34.95 29.70 3mw9 s ARG 66 CO 0.05 -0.38 1.11 1.03 -0.81 0.00 0.00 175.30 176.31 3mw9 s ARG 67 N 2.01 1.09 0.44 5.12 1.81 -0.03 -4.89 118.95 124.50 3mw9 s ARG 67 Ca 0.12 1.30 0.11 0.00 -1.72 0.00 0.00 55.73 55.54 3mw9 s ARG 67 Cb -0.16 -1.75 0.96 0.00 -0.45 0.00 0.00 34.95 33.55 3mw9 s ARG 67 CO 0.11 -2.50 2.04 -0.44 -0.68 0.00 0.00 175.30 173.82 3mw9 h ASP 68 N -1.76 0.23 0.00 0.23 3.45 -1.98 -1.03 116.42 115.55 3mw9 h ASP 68 Ca -0.46 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3mw9 h ASP 68 Cb 1.27 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3mw9 h ASP 68 CO 0.46 0.25 0.00 -0.90 -1.57 0.00 0.00 179.24 177.48 3mw9 n ASP 69 N -4.42 0.00 0.00 6.45 3.85 -1.26 -4.93 116.55 116.24 3mw9 n ASP 69 Ca -0.00 -1.28 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 3mw9 n ASP 69 Cb 0.15 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3mw9 n ASP 69 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mw9 n GLY 70 N 0.85 3.14 3.79 6.12 0.00 -0.39 -5.07 105.19 113.63 3mw9 n GLY 70 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3mw9 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mw9 s SER 71 N 0.31 6.50 0.12 1.61 1.04 -1.26 -4.63 113.70 117.38 3mw9 s SER 71 Ca 0.00 1.96 -0.24 0.00 0.48 0.00 0.00 55.95 58.15 3mw9 s SER 71 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 3mw9 s SER 71 CO 0.00 -0.67 0.73 0.26 0.98 0.00 0.00 173.24 174.54 3mw9 s TRP 72 N -1.87 3.85 0.05 5.02 0.52 -1.26 -0.85 118.94 124.39 3mw9 s TRP 72 Ca 0.64 1.52 0.05 0.00 0.02 0.00 0.00 56.10 58.33 3mw9 s TRP 72 Cb -0.18 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 3mw9 s TRP 72 CO 0.22 0.47 -0.13 -2.00 0.02 0.00 0.00 176.95 175.53 3mw9 s GLU 73 N -0.87 0.83 -0.32 4.98 2.12 0.67 -4.95 118.70 121.16 3mw9 s GLU 73 Ca 0.35 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 3mw9 s GLU 73 Cb -0.22 -0.81 -0.01 0.00 0.26 0.00 0.00 34.13 33.34 3mw9 s GLU 73 CO 0.24 0.19 0.19 0.08 -0.54 0.00 0.00 175.26 175.42 3mw9 s VAL 74 N -1.03 4.92 -0.04 3.70 1.01 -1.26 -0.61 120.40 127.09 3mw9 s VAL 74 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3mw9 s VAL 74 Cb -0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3mw9 s VAL 74 CO 0.01 0.05 0.18 0.27 0.00 0.00 0.00 175.10 175.61 3mw9 s ILE 75 N 1.67 5.44 -0.05 2.22 -0.00 -0.71 -4.92 121.20 124.84 3mw9 s ILE 75 Ca 0.05 0.02 0.05 0.00 -0.00 0.00 0.00 60.65 60.77 3mw9 s ILE 75 Cb -0.17 -3.50 -0.02 0.00 -0.00 0.00 0.00 42.46 38.77 3mw9 s ILE 75 CO 0.08 0.43 -0.19 -1.83 -0.00 0.00 0.00 174.94 173.43 3mw9 s GLU 76 N -1.61 2.53 0.26 0.37 -1.05 -1.26 -1.94 118.70 115.99 3mw9 s GLU 76 Ca 0.23 -0.79 -0.01 0.00 -0.15 0.00 0.00 54.97 54.26 3mw9 s GLU 76 Cb -0.13 -2.29 -0.03 0.00 -0.44 0.00 0.00 34.13 31.25 3mw9 s GLU 76 CO 0.14 0.51 0.26 0.20 0.95 0.00 0.00 175.26 177.32 3mw9 s GLY 77 N -0.47 1.56 -0.03 -3.83 0.00 -0.69 -1.07 107.32 102.80 3mw9 s GLY 77 Ca 0.06 -1.67 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 3mw9 s GLY 77 CO 0.01 -1.27 0.24 -0.19 0.00 0.00 0.00 173.10 171.90 3mw9 s TYR 78 N -3.82 -0.14 -0.04 1.90 1.51 0.25 -1.17 117.35 115.84 3mw9 s TYR 78 Ca 0.36 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.70 3mw9 s TYR 78 Cb 0.04 0.05 0.02 0.00 -0.11 0.00 0.00 41.96 41.96 3mw9 s TYR 78 CO 0.17 -0.29 -0.04 0.50 -1.11 0.00 0.00 175.55 174.78 3mw9 s ARG 79 N -0.93 0.76 -0.14 -0.62 3.52 -0.40 -0.59 118.95 120.56 3mw9 s ARG 79 Ca -0.10 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.40 3mw9 s ARG 79 Cb -0.05 -0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 3mw9 s ARG 79 CO 0.02 -0.10 -0.07 0.00 -0.81 0.00 0.00 175.30 174.34 3mw9 s ALA 80 N 0.98 2.86 -0.36 6.12 0.00 0.26 -1.04 121.76 130.58 3mw9 s ALA 80 Ca -0.10 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3mw9 s ALA 80 Cb -0.14 -1.39 0.08 0.00 0.00 0.00 0.00 23.12 21.66 3mw9 s ALA 80 CO -0.00 0.27 0.11 -0.65 0.00 0.00 0.00 175.76 175.49 3mw9 s GLN 81 N 0.22 2.25 -0.03 0.00 -0.21 0.87 -0.91 119.66 121.85 3mw9 s GLN 81 Ca -0.05 -1.52 -0.20 0.00 0.02 0.00 0.00 55.36 53.61 3mw9 s GLN 81 Cb -0.14 -3.42 -0.13 0.00 1.00 0.00 0.00 33.01 30.31 3mw9 s GLN 81 CO 0.04 -0.85 0.89 1.25 -2.12 0.00 0.00 175.29 174.50 3mw9 h HIS 82 N 8.06 -0.38 -3.91 0.91 -0.00 -0.78 -2.51 115.15 116.54 3mw9 h HIS 82 Ca -0.17 -0.01 -0.30 0.00 -0.00 0.00 0.00 60.37 59.89 3mw9 h HIS 82 Cb 1.06 0.13 -0.27 0.00 -0.00 0.00 0.00 27.41 28.33 3mw9 h HIS 82 CO 0.58 -0.05 -0.75 0.45 -0.00 0.00 0.00 177.93 178.16 3mw9 s SER 83 N -5.15 0.60 -0.13 3.26 0.15 -1.25 -2.36 113.70 108.83 3mw9 s SER 83 Ca -0.12 -0.20 0.15 0.00 0.70 0.00 0.00 55.95 56.49 3mw9 s SER 83 Cb 0.01 -0.03 0.43 0.00 -1.71 0.00 0.00 66.02 64.72 3mw9 s SER 83 CO 0.41 -0.01 1.33 0.00 1.20 0.00 0.00 173.24 176.17 3mw9 n GLN 84 N 2.59 2.68 0.19 5.44 6.02 -1.26 -3.95 117.38 129.08 3mw9 n GLN 84 Ca -0.15 -2.61 0.14 0.00 -0.01 0.00 0.00 57.00 54.36 3mw9 n GLN 84 Cb 0.57 -1.66 0.64 0.00 1.02 0.00 0.00 30.24 30.82 3mw9 n GLN 84 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.06 177.17 3mw9 h HIS 85 N 1.49 0.00 -3.96 1.08 2.07 -1.96 -3.39 115.15 110.48 3mw9 h HIS 85 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3mw9 h HIS 85 Cb 1.22 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.98 3mw9 h HIS 85 CO 0.36 0.00 -0.75 1.03 -3.07 0.00 0.00 177.93 175.50 3mw9 s ARG 86 N -3.55 0.61 0.05 5.12 1.81 -1.26 -5.00 118.95 116.72 3mw9 s ARG 86 Ca 0.00 -0.80 0.02 0.00 -1.72 0.00 0.00 55.73 53.23 3mw9 s ARG 86 Cb 0.09 -0.44 -0.03 0.00 -0.45 0.00 0.00 34.95 34.12 3mw9 s ARG 86 CO 0.34 0.09 -0.08 0.95 -0.68 0.00 0.00 175.30 175.92 3mw9 s THR 87 N -1.33 0.59 0.87 0.02 -4.23 -1.26 -2.65 115.64 107.65 3mw9 s THR 87 Ca -0.08 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.14 3mw9 s THR 87 Cb -0.10 -0.72 0.12 0.00 1.34 0.00 0.00 72.50 73.15 3mw9 s THR 87 CO 0.01 -0.41 1.23 -2.16 -0.54 0.00 0.00 174.62 172.75 3mw9 s PRO 88 N -1.75 1.48 0.62 3.99 0.04 -1.26 -4.84 135.00 133.27 3mw9 s PRO 88 Ca -0.08 -0.06 -0.16 0.00 0.04 0.00 0.00 61.00 60.74 3mw9 s PRO 88 Cb -0.09 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3mw9 s PRO 88 CO 0.00 -1.90 1.10 0.00 0.04 0.00 0.00 177.00 176.24 3mw9 s LYS 90 N -3.98 0.34 0.00 0.00 2.47 0.84 -0.72 119.74 118.69 3mw9 s LYS 90 Ca 0.67 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.62 3mw9 s LYS 90 Cb -0.20 -0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.04 3mw9 s LYS 90 CO 0.38 0.02 0.00 0.41 0.16 0.00 0.00 175.35 176.32 3mw9 n GLY 91 N 2.10 3.43 3.41 5.54 0.00 -1.21 0.11 105.19 118.56 3mw9 n GLY 91 Ca -0.19 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3mw9 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mw9 n GLY 92 N -0.91 -1.51 3.05 -0.02 0.00 -1.26 -3.20 105.19 101.34 3mw9 n GLY 92 Ca 0.00 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 3mw9 n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mw9 s ILE 93 N -3.55 1.96 -0.13 -0.61 1.01 0.15 -1.84 121.20 118.19 3mw9 s ILE 93 Ca 0.67 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 3mw9 s ILE 93 Cb -0.02 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3mw9 s ILE 93 CO 0.47 0.11 0.42 -0.60 0.00 0.00 0.00 174.94 175.34 3mw9 s ARG 94 N 1.24 4.30 -0.30 2.79 3.52 -0.25 -3.32 118.95 126.92 3mw9 s ARG 94 Ca -0.04 0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.81 3mw9 s ARG 94 Cb -0.18 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3mw9 s ARG 94 CO -0.07 0.20 0.10 0.71 -0.81 0.00 0.00 175.30 175.43 3mw9 s TYR 95 N 0.52 3.16 -0.23 5.12 1.51 -0.74 -0.63 117.35 126.06 3mw9 s TYR 95 Ca 0.23 -0.85 -0.28 0.00 -1.01 0.00 0.00 57.07 55.16 3mw9 s TYR 95 Cb -0.14 -2.29 0.14 0.00 -0.11 0.00 0.00 41.96 39.56 3mw9 s TYR 95 CO 0.08 -0.54 1.11 0.45 -1.11 0.00 0.00 175.55 175.55 3mw9 s SER 96 N 1.54 -0.31 0.00 2.29 0.15 -0.65 -4.57 113.70 112.14 3mw9 s SER 96 Ca 0.03 0.44 0.21 0.00 0.70 0.00 0.00 55.95 57.33 3mw9 s SER 96 Cb -0.17 0.39 1.02 0.00 -1.71 0.00 0.00 66.02 65.56 3mw9 s SER 96 CO 0.04 -0.21 1.66 0.35 1.20 0.00 0.00 173.24 176.28 3mw9 n THR 97 N 1.20 0.39 1.15 6.45 -2.24 -0.97 -2.33 114.28 117.92 3mw9 n THR 97 Ca -0.09 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 3mw9 n THR 97 Cb 0.57 -0.75 0.37 0.00 -2.10 0.00 0.00 70.33 68.42 3mw9 n THR 97 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mw9 n ASP 98 N -1.31 1.92 -4.79 3.42 10.43 -1.26 -4.90 116.55 120.05 3mw9 n ASP 98 Ca 0.09 -1.72 -0.33 0.00 2.57 0.00 0.00 54.79 55.40 3mw9 n ASP 98 Cb 0.18 -0.10 0.03 0.00 1.84 0.00 0.00 41.12 43.06 3mw9 n ASP 98 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3mw9 s VAL 99 N -1.80 3.61 0.04 2.53 -7.23 -0.98 -4.94 120.40 111.62 3mw9 s VAL 99 Ca 0.34 0.74 -0.28 0.00 -1.81 0.00 0.00 61.98 60.97 3mw9 s VAL 99 Cb 0.19 -3.27 0.09 0.00 0.56 0.00 0.00 36.38 33.94 3mw9 s VAL 99 CO 0.28 -0.47 0.97 -0.94 -0.31 0.00 0.00 175.10 174.63 3mw9 s SER 100 N -2.76 -0.26 0.26 4.85 1.04 -1.26 -4.91 113.70 110.66 3mw9 s SER 100 Ca 0.65 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.88 3mw9 s SER 100 Cb -0.18 0.39 0.31 0.00 0.10 0.00 0.00 66.02 66.65 3mw9 s SER 100 CO 0.40 -0.68 1.82 1.62 0.98 0.00 0.00 173.24 177.38 3mw9 h VAL 101 N 2.00 1.24 -0.47 5.02 3.04 -1.99 -2.26 116.25 122.83 3mw9 h VAL 101 Ca -0.23 -0.79 -0.07 0.00 -1.01 0.00 0.00 66.70 64.61 3mw9 h VAL 101 Cb 1.23 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 3mw9 h VAL 101 CO 0.28 0.31 0.03 0.44 -1.01 0.00 0.00 177.57 177.62 3mw9 h ASP 102 N 0.96 0.79 -0.66 3.17 3.32 -1.99 0.47 116.42 122.49 3mw9 h ASP 102 Ca 0.22 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3mw9 h ASP 102 Cb 0.23 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3mw9 h ASP 102 CO -0.01 0.89 0.33 -0.08 -1.72 0.00 0.00 179.24 178.64 3mw9 h GLU 103 N 0.67 0.95 -0.48 3.56 4.81 -1.88 -0.44 114.58 121.77 3mw9 h GLU 103 Ca 0.14 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3mw9 h GLU 103 Cb 0.47 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3mw9 h GLU 103 CO 0.02 0.74 0.01 0.28 -0.73 0.00 0.00 179.01 179.33 3mw9 h VAL 104 N 0.91 1.26 -0.96 0.32 2.07 -1.19 -0.49 116.25 118.18 3mw9 h VAL 104 Ca 0.23 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3mw9 h VAL 104 Cb 0.10 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3mw9 h VAL 104 CO -0.03 0.37 0.63 0.11 0.02 0.00 0.00 177.57 178.67 3mw9 h LYS 105 N 0.69 1.23 -0.26 1.57 1.57 -0.74 -1.67 116.57 118.96 3mw9 h LYS 105 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3mw9 h LYS 105 Cb 0.50 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3mw9 h LYS 105 CO 0.02 0.81 0.12 0.00 -0.57 0.00 0.00 179.45 179.83 3mw9 h ALA 106 N 1.42 0.34 -0.11 3.86 0.00 -0.37 -2.20 119.26 122.19 3mw9 h ALA 106 Ca 0.36 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3mw9 h ALA 106 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3mw9 h ALA 106 CO -0.09 -0.09 -0.46 -0.07 0.00 0.00 0.00 179.25 178.55 3mw9 h LEU 107 N 0.28 0.29 -0.69 0.00 -0.00 -1.01 -2.64 115.31 111.55 3mw9 h LEU 107 Ca 0.09 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.88 57.77 3mw9 h LEU 107 Cb 0.15 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 3mw9 h LEU 107 CO -0.01 0.72 0.19 0.00 -0.00 0.00 0.00 178.44 179.34 3mw9 h ALA 108 N 1.30 0.90 -0.27 1.53 0.00 -1.09 -1.49 119.26 120.14 3mw9 h ALA 108 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3mw9 h ALA 108 Cb 0.90 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3mw9 h ALA 108 CO 0.07 0.60 0.02 0.66 0.00 0.00 0.00 179.25 180.61 3mw9 h SER 109 N 1.02 0.44 -0.50 0.00 4.64 -1.30 -2.48 113.55 115.37 3mw9 h SER 109 Ca 0.22 -0.28 0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3mw9 h SER 109 Cb 0.33 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3mw9 h SER 109 CO -0.00 0.62 0.34 -0.07 -0.87 0.00 0.00 176.83 176.84 3mw9 h LEU 110 N 0.25 0.29 -0.58 5.97 3.38 -1.35 -1.97 115.31 121.31 3mw9 h LEU 110 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3mw9 h LEU 110 Cb 0.38 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mw9 h LEU 110 CO 0.01 0.18 0.05 0.24 0.09 0.00 0.00 178.44 179.01 3mw9 h MET 111 N 0.33 1.00 -0.35 1.13 2.86 -0.84 0.35 114.93 119.41 3mw9 h MET 111 Ca 0.22 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3mw9 h MET 111 Cb 0.46 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3mw9 h MET 111 CO -0.05 0.97 -0.08 1.79 1.06 0.00 0.00 176.91 180.59 3mw9 h THR 112 N 0.89 1.28 -0.27 2.22 1.35 -0.96 -0.18 112.91 117.23 3mw9 h THR 112 Ca 0.17 -1.14 -0.18 0.00 -0.55 0.00 0.00 66.41 64.72 3mw9 h THR 112 Cb 0.48 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3mw9 h THR 112 CO 0.02 0.37 -0.51 1.88 -0.25 0.00 0.00 175.52 177.03 3mw9 h TYR 113 N 0.45 1.04 -0.46 4.73 0.99 -1.35 -1.64 116.97 120.73 3mw9 h TYR 113 Ca 0.09 -0.37 0.08 0.00 2.00 0.00 0.00 58.73 60.53 3mw9 h TYR 113 Cb 0.58 -0.20 -0.07 0.00 1.00 0.00 0.00 36.73 38.05 3mw9 h TYR 113 CO 0.05 1.19 0.04 -0.22 -0.00 0.00 0.00 178.16 179.22 3mw9 h LYS 114 N 0.60 0.15 -0.59 4.88 3.64 -0.30 -0.41 116.57 124.54 3mw9 h LYS 114 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3mw9 h LYS 114 Cb 1.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3mw9 h LYS 114 CO 0.12 0.10 0.32 0.00 -2.27 0.00 0.00 179.45 177.72 3mw9 h ALA 116 N 1.53 0.64 -0.71 0.00 0.00 -0.91 -0.56 119.26 119.25 3mw9 h ALA 116 Ca 0.21 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3mw9 h ALA 116 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3mw9 h ALA 116 CO -0.03 0.67 0.44 0.28 0.00 0.00 0.00 179.25 180.61 3mw9 h VAL 117 N 0.65 1.07 -0.59 0.00 2.07 -0.53 -2.66 116.25 116.26 3mw9 h VAL 117 Ca 0.04 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3mw9 h VAL 117 Cb 1.00 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3mw9 h VAL 117 CO 0.10 0.16 0.06 1.33 0.02 0.00 0.00 177.57 179.23 3mw9 n VAL 118 N -4.67 2.71 -2.72 2.57 0.24 -0.94 -4.83 118.33 110.69 3mw9 n VAL 118 Ca 0.08 -1.39 -0.19 0.00 -2.04 0.00 0.00 64.34 60.79 3mw9 n VAL 118 Cb 0.10 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 3mw9 n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3mw9 n ASP 119 N 0.45 -5.16 -4.69 -1.34 8.00 -0.88 -4.95 116.55 107.98 3mw9 n ASP 119 Ca 0.30 -0.09 -0.38 0.00 0.71 0.00 0.00 54.79 55.33 3mw9 n ASP 119 Cb 1.21 -4.27 -0.07 0.00 -0.02 0.00 0.00 41.12 37.97 3mw9 n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mw9 s VAL 120 N -2.96 5.22 -1.54 2.53 1.01 -0.27 -5.01 120.40 119.39 3mw9 s VAL 120 Ca 0.14 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 3mw9 s VAL 120 Cb -0.07 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3mw9 s VAL 120 CO 0.17 0.30 2.65 -0.81 0.00 0.00 0.00 175.10 177.41 3mw9 n PRO 121 N 4.12 3.51 -4.21 2.72 -0.04 -1.26 -4.42 135.00 135.43 3mw9 n PRO 121 Ca -0.09 -2.47 -0.17 0.00 -0.04 0.00 0.00 63.50 60.73 3mw9 n PRO 121 Cb 0.51 -2.94 -0.11 0.00 -0.04 0.00 0.00 33.50 30.92 3mw9 n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mw9 s PHE 122 N 2.15 1.27 0.64 0.54 2.99 -1.26 -4.45 117.98 119.86 3mw9 s PHE 122 Ca 0.61 -0.55 -0.07 0.00 0.00 0.00 0.00 56.93 56.92 3mw9 s PHE 122 Cb 0.16 -0.68 0.03 0.00 0.00 0.00 0.00 43.02 42.53 3mw9 s PHE 122 CO -0.07 0.09 0.96 0.20 -0.00 0.00 0.00 175.22 176.39 3mw9 s GLY 123 N -2.24 1.63 -0.01 4.36 0.00 -1.07 -4.75 107.32 105.25 3mw9 s GLY 123 Ca 0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 3mw9 s GLY 123 CO 0.02 -0.40 0.50 -0.32 0.00 0.00 0.00 173.10 172.90 3mw9 s GLY 124 N -4.37 2.54 0.06 0.20 0.00 -1.25 -0.11 107.32 104.37 3mw9 s GLY 124 Ca 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 3mw9 s GLY 124 CO 0.46 0.46 -0.04 0.00 0.00 0.00 0.00 173.10 173.98 3mw9 s ALA 125 N -0.58 0.58 -0.12 3.20 0.00 0.29 -0.12 121.76 125.01 3mw9 s ALA 125 Ca 0.27 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 3mw9 s ALA 125 Cb -0.17 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.24 3mw9 s ALA 125 CO 0.15 -0.35 0.48 0.21 0.00 0.00 0.00 175.76 176.25 3mw9 s LYS 126 N -3.89 0.67 0.14 0.00 2.47 -0.09 -3.48 119.74 115.56 3mw9 s LYS 126 Ca 0.08 0.40 0.09 0.00 -1.56 0.00 0.00 55.97 54.98 3mw9 s LYS 126 Cb 0.07 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 3mw9 s LYS 126 CO -0.09 -0.14 -0.21 0.00 0.16 0.00 0.00 175.35 175.08 3mw9 s ALA 127 N -0.35 2.02 -0.07 3.13 0.00 -0.77 0.92 121.76 126.63 3mw9 s ALA 127 Ca -0.05 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 3mw9 s ALA 127 Cb -0.03 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3mw9 s ALA 127 CO 0.03 0.33 0.17 0.20 0.00 0.00 0.00 175.76 176.49 3mw9 s GLY 128 N -2.33 -0.11 -0.15 0.00 0.00 0.24 -1.09 107.32 103.87 3mw9 s GLY 128 Ca 0.13 0.55 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3mw9 s GLY 128 CO 0.06 0.57 -0.17 0.14 0.00 0.00 0.00 173.10 173.70 3mw9 s VAL 129 N 0.35 2.50 -1.24 1.40 1.01 0.20 -0.58 120.40 124.04 3mw9 s VAL 129 Ca -0.02 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3mw9 s VAL 129 Cb -0.03 -2.04 0.16 0.00 0.00 0.00 0.00 36.38 34.46 3mw9 s VAL 129 CO -0.01 0.52 1.55 1.17 0.00 0.00 0.00 175.10 178.33 3mw9 n LYS 130 N 4.07 3.37 -3.99 2.72 4.81 -0.23 -1.83 118.16 127.08 3mw9 n LYS 130 Ca -0.19 -3.71 -0.10 0.00 -0.87 0.00 0.00 58.31 53.44 3mw9 n LYS 130 Cb 0.52 -3.09 -0.07 0.00 0.02 0.00 0.00 35.03 32.40 3mw9 n LYS 130 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3mw9 s ILE 131 N 1.79 0.05 -0.32 3.15 -4.36 -1.17 -4.63 121.20 115.71 3mw9 s ILE 131 Ca 0.44 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.36 3mw9 s ILE 131 Cb 0.00 -1.94 0.06 0.00 1.25 0.00 0.00 42.46 41.83 3mw9 s ILE 131 CO 0.01 -0.25 0.04 0.21 0.24 0.00 0.00 174.94 175.20 3mw9 s ASN 132 N -2.99 5.00 0.55 4.36 3.04 -1.26 -1.64 114.94 121.99 3mw9 s ASN 132 Ca 0.20 -1.37 0.22 0.00 0.04 0.00 0.00 52.86 51.95 3mw9 s ASN 132 Cb 0.03 -1.75 1.48 0.00 -1.54 0.00 0.00 41.25 39.48 3mw9 s ASN 132 CO 0.02 -0.31 2.16 -0.65 -3.04 0.00 0.00 177.10 175.28 3mw9 h PRO 133 N 8.03 0.00 0.00 0.43 0.11 -1.94 -0.93 132.00 137.70 3mw9 h PRO 133 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3mw9 h PRO 133 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3mw9 h PRO 133 CO 0.56 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.22 3mw9 h LYS 134 N 0.00 0.00 -0.41 1.05 1.57 -1.99 -1.92 116.57 114.87 3mw9 h LYS 134 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mw9 h LYS 134 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3mw9 h LYS 134 CO -0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3mw9 n ASN 135 N -2.35 2.54 -4.25 0.86 3.02 -0.35 -4.93 115.26 109.80 3mw9 n ASN 135 Ca 0.00 -1.94 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 3mw9 n ASN 135 Cb 0.14 -0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.92 3mw9 n ASN 135 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mw9 s TYR 136 N -1.46 1.62 0.40 3.10 1.51 -0.72 -5.08 117.35 116.71 3mw9 s TYR 136 Ca 0.34 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.73 3mw9 s TYR 136 Cb 0.18 -0.90 -0.10 0.00 -0.11 0.00 0.00 41.96 41.04 3mw9 s TYR 136 CO 0.24 0.16 0.99 0.95 -1.11 0.00 0.00 175.55 176.79 3mw9 s THR 137 N -1.18 4.03 0.39 -0.71 -4.23 -1.26 -4.88 115.64 107.80 3mw9 s THR 137 Ca 0.04 1.48 0.19 0.00 -1.18 0.00 0.00 61.69 62.21 3mw9 s THR 137 Cb -0.10 -3.72 0.39 0.00 1.34 0.00 0.00 72.50 70.41 3mw9 s THR 137 CO 0.04 -0.07 1.75 0.44 -0.54 0.00 0.00 174.62 176.23 3mw9 h ASP 138 N 2.42 0.45 -0.05 3.99 3.32 -1.99 0.50 116.42 125.05 3mw9 h ASP 138 Ca -0.48 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 3mw9 h ASP 138 Cb 1.20 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3mw9 h ASP 138 CO 0.62 0.05 -0.11 -1.13 -1.72 0.00 0.00 179.24 176.95 3mw9 h ASN 139 N 0.37 0.33 0.30 6.45 -1.24 -2.00 -2.01 115.58 117.78 3mw9 h ASN 139 Ca 0.63 -0.07 -0.21 0.00 0.71 0.00 0.00 56.30 57.36 3mw9 h ASN 139 Cb 1.61 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.57 3mw9 h ASN 139 CO -0.34 0.47 -0.87 -0.33 -1.29 0.00 0.00 177.43 175.07 3mw9 h GLU 140 N 0.33 0.42 -0.34 6.67 5.08 -0.42 -2.89 114.58 123.42 3mw9 h GLU 140 Ca 0.07 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 3mw9 h GLU 140 Cb 0.40 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3mw9 h GLU 140 CO 0.02 1.07 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.92 3mw9 h LEU 141 N 0.25 0.58 -0.56 1.33 3.38 -1.04 -1.22 115.31 118.03 3mw9 h LEU 141 Ca -0.06 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 3mw9 h LEU 141 Cb 1.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3mw9 h LEU 141 CO 0.15 0.72 -0.08 -0.08 0.09 0.00 0.00 178.44 179.25 3mw9 h GLU 142 N 0.54 1.03 -0.38 1.13 4.81 -1.36 -1.21 114.58 119.14 3mw9 h GLU 142 Ca 0.10 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3mw9 h GLU 142 Cb 0.52 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3mw9 h GLU 142 CO 0.03 1.06 0.15 0.87 -0.73 0.00 0.00 179.01 180.39 3mw9 h LYS 143 N 0.91 0.56 0.19 1.92 1.57 -1.27 -1.18 116.57 119.28 3mw9 h LYS 143 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3mw9 h LYS 143 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3mw9 h LYS 143 CO 0.04 0.54 -0.09 0.82 -0.57 0.00 0.00 179.45 180.19 3mw9 h ILE 144 N 0.47 0.85 -0.47 1.86 2.04 -1.07 -0.58 117.51 120.60 3mw9 h ILE 144 Ca 0.13 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3mw9 h ILE 144 Cb 0.18 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3mw9 h ILE 144 CO -0.01 0.04 0.05 0.00 0.00 0.00 0.00 178.15 178.23 3mw9 h THR 145 N -0.33 1.25 -0.85 -0.27 1.03 -1.17 -0.58 112.91 112.00 3mw9 h THR 145 Ca -0.03 -0.97 0.01 0.00 -0.01 0.00 0.00 66.41 65.41 3mw9 h THR 145 Cb 0.26 0.96 -0.04 0.00 -1.07 0.00 0.00 68.15 68.25 3mw9 h THR 145 CO 0.04 0.34 0.56 0.03 -0.01 0.00 0.00 175.52 176.48 3mw9 h ARG 146 N 0.66 1.13 -0.41 0.00 3.08 -1.16 -1.00 114.38 116.67 3mw9 h ARG 146 Ca 0.14 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3mw9 h ARG 146 Cb 0.43 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3mw9 h ARG 146 CO 0.01 0.75 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.40 3mw9 h ARG 147 N 1.16 0.84 -0.87 0.04 9.65 -0.91 -2.54 114.38 121.76 3mw9 h ARG 147 Ca 0.31 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 3mw9 h ARG 147 Cb -0.12 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 3mw9 h ARG 147 CO -0.07 1.00 0.46 0.35 2.80 0.00 0.00 179.97 184.51 3mw9 h PHE 148 N 0.66 1.20 -0.54 2.20 3.57 -0.84 -1.62 116.94 121.57 3mw9 h PHE 148 Ca 0.09 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3mw9 h PHE 148 Cb 0.73 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3mw9 h PHE 148 CO 0.06 0.84 0.33 1.15 -2.23 0.00 0.00 178.31 178.46 3mw9 h THR 149 N 1.22 1.07 -0.21 4.41 2.02 -1.04 0.00 112.91 120.38 3mw9 h THR 149 Ca 0.30 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3mw9 h THR 149 Cb 0.05 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3mw9 h THR 149 CO -0.05 0.12 0.13 0.24 0.37 0.00 0.00 175.52 176.33 3mw9 h MET 150 N 0.66 0.28 -0.26 6.66 2.86 -0.98 -0.91 114.93 123.24 3mw9 h MET 150 Ca 0.21 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 3mw9 h MET 150 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3mw9 h MET 150 CO -0.09 0.21 -0.21 0.93 1.06 0.00 0.00 176.91 178.81 3mw9 h GLU 151 N 0.26 0.47 -0.44 1.72 4.39 -0.83 -1.32 114.58 118.83 3mw9 h GLU 151 Ca 0.07 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 3mw9 h GLU 151 Cb -0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3mw9 h GLU 151 CO -0.02 0.66 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.33 3mw9 h LEU 152 N 0.42 0.84 -0.27 1.33 3.38 -0.81 -3.29 115.31 116.90 3mw9 h LEU 152 Ca 0.07 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3mw9 h LEU 152 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3mw9 h LEU 152 CO 0.04 1.00 0.15 0.00 0.09 0.00 0.00 178.44 179.72 3mw9 h ALA 153 N 0.87 0.35 -0.53 1.53 0.00 -0.10 -1.45 119.26 119.93 3mw9 h ALA 153 Ca 0.11 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3mw9 h ALA 153 Cb 0.62 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3mw9 h ALA 153 CO 0.04 -0.12 0.45 0.87 0.00 0.00 0.00 179.25 180.50 3mw9 h LYS 154 N 0.32 0.00 -0.23 0.00 1.57 -1.39 -2.67 116.57 114.18 3mw9 h LYS 154 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mw9 h LYS 154 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3mw9 h LYS 154 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 3mw9 n LYS 155 N -4.02 2.81 -2.04 3.15 4.76 -0.96 -4.98 118.16 116.88 3mw9 n LYS 155 Ca 0.10 -2.09 -0.01 0.00 -2.87 0.00 0.00 58.31 53.44 3mw9 n LYS 155 Cb 0.67 -1.32 -0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3mw9 n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mw9 n GLY 156 N -0.03 0.36 0.78 0.72 0.00 -1.01 -4.97 105.19 101.04 3mw9 n GLY 156 Ca 0.11 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.35 3mw9 n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mw9 n PHE 157 N -3.95 0.68 -3.67 1.61 3.01 -0.59 -4.86 117.46 109.70 3mw9 n PHE 157 Ca -0.01 -0.63 -0.13 0.00 1.01 0.00 0.00 57.45 57.69 3mw9 n PHE 157 Cb 0.51 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.76 3mw9 n PHE 157 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 3mw9 s ILE 158 N -1.65 -0.00 0.00 4.37 2.07 -1.25 -4.79 121.20 119.94 3mw9 s ILE 158 Ca 0.31 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 3mw9 s ILE 158 Cb 0.21 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.96 3mw9 s ILE 158 CO 0.14 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 3mw9 n GLY 159 N 2.85 2.67 0.34 1.50 0.00 -0.60 -4.67 105.19 107.28 3mw9 n GLY 159 Ca -0.14 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.75 3mw9 n GLY 159 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mw9 h PRO 160 N 0.00 0.00 -0.01 1.61 0.11 -1.82 -2.32 132.00 129.57 3mw9 h PRO 160 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mw9 h PRO 160 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3mw9 h PRO 160 CO 0.00 0.00 -0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3mw9 n GLY 161 N -1.31 -0.93 0.38 -0.55 0.00 -1.26 -4.71 105.19 96.81 3mw9 n GLY 161 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 3mw9 n GLY 161 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mw9 n VAL 162 N 0.26 0.96 -3.54 1.61 0.24 -0.99 -4.40 118.33 112.47 3mw9 n VAL 162 Ca 0.03 -0.27 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 3mw9 n VAL 162 Cb 0.13 -1.61 -0.05 0.00 -1.47 0.00 0.00 33.84 30.85 3mw9 n VAL 162 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3mw9 s ASP 163 N -6.38 -0.79 -0.31 -1.34 3.68 -0.91 -0.49 116.67 110.13 3mw9 s ASP 163 Ca -0.24 1.12 0.02 0.00 2.13 0.00 0.00 52.55 55.58 3mw9 s ASP 163 Cb 0.09 1.79 0.09 0.00 -1.45 0.00 0.00 42.92 43.44 3mw9 s ASP 163 CO 0.32 -0.16 0.04 -0.69 0.13 0.00 0.00 175.17 174.81 3mw9 s VAL 164 N 2.39 1.78 0.00 1.11 1.01 0.10 -1.55 120.40 125.24 3mw9 s VAL 164 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.05 3mw9 s VAL 164 Cb -0.08 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3mw9 s VAL 164 CO -0.18 -0.50 0.00 -2.65 0.00 0.00 0.00 175.10 171.77 3mw9 n PRO 165 N 4.49 -0.18 -3.64 2.72 -0.02 -1.22 -3.34 135.00 133.81 3mw9 n PRO 165 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.50 3mw9 n PRO 165 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3mw9 n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mw9 s ALA 166 N -3.68 -2.42 0.60 3.55 0.00 -1.19 -1.68 121.76 116.94 3mw9 s ALA 166 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 3mw9 s ALA 166 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3mw9 s ALA 166 CO 0.00 -1.07 1.06 -1.25 0.00 0.00 0.00 175.76 174.50 3mw9 s PRO 167 N -2.18 3.26 0.00 0.00 0.04 -1.26 0.33 135.00 135.19 3mw9 s PRO 167 Ca 0.17 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3mw9 s PRO 167 Cb 0.06 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3mw9 s PRO 167 CO -0.05 -0.86 0.00 -3.47 0.04 0.00 0.00 177.00 172.66 3mw9 n ASP 168 N -2.07 1.13 -4.66 6.66 -0.08 -1.21 -4.39 116.55 111.93 3mw9 n ASP 168 Ca 0.09 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.95 3mw9 n ASP 168 Cb 0.53 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 3mw9 n ASP 168 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3mw9 s MET 169 N 3.41 4.14 -0.50 -0.67 -1.94 -1.26 -2.38 119.30 120.10 3mw9 s MET 169 Ca 0.00 2.62 0.00 0.00 -1.71 0.00 0.00 55.69 56.60 3mw9 s MET 169 Cb 0.00 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.72 3mw9 s MET 169 CO 0.00 -0.95 0.00 0.43 -0.01 0.00 0.00 175.02 174.49 3mw9 n SER 170 N 7.40 -4.18 -4.20 3.03 7.64 -1.26 -1.79 113.62 120.25 3mw9 n SER 170 Ca 0.20 0.12 -0.19 0.00 1.01 0.00 0.00 58.87 60.00 3mw9 n SER 170 Cb 0.41 -2.09 -0.12 0.00 -1.01 0.00 0.00 64.21 61.40 3mw9 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mw9 s THR 171 N -1.97 1.25 0.00 0.44 -4.23 -1.00 -4.73 115.64 105.40 3mw9 s THR 171 Ca 0.00 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3mw9 s THR 171 Cb 0.00 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3mw9 s THR 171 CO 0.00 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3mw9 n GLY 172 N 1.19 4.39 0.32 3.99 0.00 -1.26 -3.77 105.19 110.05 3mw9 n GLY 172 Ca -0.21 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.00 3mw9 n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mw9 n GLU 173 N 0.00 -0.09 0.27 1.61 1.02 -1.26 -1.93 120.64 120.26 3mw9 n GLU 173 Ca 0.00 1.37 -0.16 0.00 -0.02 0.00 0.00 57.16 58.34 3mw9 n GLU 173 Cb 0.00 -2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 29.30 3mw9 n GLU 173 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3mw9 h ARG 174 N 0.00 -0.78 -0.58 3.49 2.43 -1.96 0.54 114.38 117.52 3mw9 h ARG 174 Ca 0.41 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.55 3mw9 h ARG 174 Cb 0.63 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3mw9 h ARG 174 CO -0.90 -0.52 0.04 1.05 -1.51 0.00 0.00 179.97 178.13 3mw9 h GLU 175 N -0.80 0.98 -0.72 0.20 9.09 -1.84 -2.31 114.58 119.18 3mw9 h GLU 175 Ca -0.05 -0.27 0.07 0.00 0.05 0.00 0.00 59.36 59.16 3mw9 h GLU 175 Cb 0.69 -0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.62 3mw9 h GLU 175 CO 0.01 0.94 0.40 0.52 0.05 0.00 0.00 179.01 180.92 3mw9 h MET 176 N 0.91 0.69 -0.97 1.06 2.86 -1.24 -0.52 114.93 117.72 3mw9 h MET 176 Ca 0.17 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 3mw9 h MET 176 Cb 0.48 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3mw9 h MET 176 CO 0.02 0.46 0.62 1.03 1.06 0.00 0.00 176.91 180.10 3mw9 h SER 177 N 0.71 1.01 -0.36 1.22 0.87 -0.35 -1.31 113.55 115.34 3mw9 h SER 177 Ca 0.33 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.79 3mw9 h SER 177 Cb 0.25 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3mw9 h SER 177 CO -0.21 0.66 -0.18 -0.50 -0.53 0.00 0.00 176.83 176.07 3mw9 h TRP 178 N 1.16 0.88 0.36 2.24 6.55 -0.86 -1.93 115.95 124.35 3mw9 h TRP 178 Ca 0.40 -0.22 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 3mw9 h TRP 178 Cb 0.10 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.17 3mw9 h TRP 178 CO -0.01 0.96 -0.42 0.82 -1.05 0.00 0.00 178.44 178.74 3mw9 h ILE 179 N 0.55 0.17 -0.70 1.49 2.04 -0.77 -2.08 117.51 118.20 3mw9 h ILE 179 Ca 0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.05 3mw9 h ILE 179 Cb 0.73 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3mw9 h ILE 179 CO 0.05 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.53 3mw9 h ALA 180 N -0.44 0.97 -0.56 1.87 0.00 -1.28 -1.21 119.26 118.61 3mw9 h ALA 180 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mw9 h ALA 180 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3mw9 h ALA 180 CO -0.10 -0.11 0.19 0.22 0.00 0.00 0.00 179.25 179.45 3mw9 h ASP 181 N 0.53 0.80 0.78 0.00 3.58 -1.21 -1.14 116.42 119.76 3mw9 h ASP 181 Ca 0.36 -0.19 -0.17 0.00 0.42 0.00 0.00 57.03 57.44 3mw9 h ASP 181 Cb 0.44 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3mw9 h ASP 181 CO -0.31 0.78 -0.81 0.71 -2.88 0.00 0.00 179.24 176.74 3mw9 h THR 182 N 0.78 1.57 -0.07 2.25 1.35 -0.98 -2.55 112.91 115.26 3mw9 h THR 182 Ca 0.18 -2.73 -0.00 0.00 -0.55 0.00 0.00 66.41 63.31 3mw9 h THR 182 Cb 0.25 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3mw9 h THR 182 CO -0.01 0.78 0.03 0.22 -0.25 0.00 0.00 175.52 176.29 3mw9 h TYR 183 N 0.01 0.10 0.00 4.73 3.20 -1.13 -3.18 116.97 120.71 3mw9 h TYR 183 Ca -0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 3mw9 h TYR 183 Cb 1.42 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 3mw9 h TYR 183 CO 0.00 0.21 -0.15 0.00 -1.64 0.00 0.00 178.16 176.59 3mw9 h ALA 184 N 0.88 1.07 -0.53 1.82 0.00 -1.18 -1.38 119.26 119.94 3mw9 h ALA 184 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mw9 h ALA 184 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3mw9 h ALA 184 CO -0.00 0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.86 3mw9 n SER 185 N -3.36 2.91 0.00 0.00 7.64 -0.97 -3.16 113.62 116.68 3mw9 n SER 185 Ca -0.00 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3mw9 n SER 185 Cb 0.35 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3mw9 n SER 185 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3mw9 n THR 186 N 1.10 0.00 -0.32 0.44 -1.04 -1.06 -4.85 114.28 108.55 3mw9 n THR 186 Ca 0.18 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.33 3mw9 n THR 186 Cb 0.46 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 69.34 3mw9 n THR 186 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3mw9 h ILE 187 N 0.00 0.74 -0.57 12.58 1.08 -1.78 -2.86 117.51 126.70 3mw9 h ILE 187 Ca 0.00 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 3mw9 h ILE 187 Cb 0.00 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.72 3mw9 h ILE 187 CO 0.00 0.13 0.04 0.61 -0.69 0.00 0.00 178.15 178.24 3mw9 n GLY 188 N -1.40 3.20 0.33 5.37 0.00 -0.54 -4.61 105.19 107.55 3mw9 n GLY 188 Ca 0.21 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.43 3mw9 n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3mw9 h HIS 189 N 3.61 0.00 -0.19 1.61 6.17 -1.46 -2.06 115.15 122.84 3mw9 h HIS 189 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.12 3mw9 h HIS 189 Cb 2.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.93 3mw9 h HIS 189 CO 1.08 0.00 0.00 0.66 0.71 0.00 0.00 177.93 180.38 3mw9 n TYR 190 N -4.31 0.23 -3.36 5.26 4.02 -1.26 -4.95 117.16 112.79 3mw9 n TYR 190 Ca 0.04 -0.16 -0.39 0.00 -0.01 0.00 0.00 57.90 57.38 3mw9 n TYR 190 Cb 0.37 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.60 3mw9 n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3mw9 s ASP 191 N -1.31 6.35 0.63 7.72 -1.08 -0.78 -4.93 116.67 123.26 3mw9 s ASP 191 Ca 0.25 0.41 0.39 0.00 -0.52 0.00 0.00 52.55 53.09 3mw9 s ASP 191 Cb 0.16 -2.23 2.09 0.00 -1.46 0.00 0.00 42.92 41.48 3mw9 s ASP 191 CO 0.23 -0.17 2.27 -0.29 0.52 0.00 0.00 175.17 177.73 3mw9 h ILE 192 N 5.27 0.13 -0.41 4.11 2.10 -1.92 -1.88 117.51 124.91 3mw9 h ILE 192 Ca -0.32 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3mw9 h ILE 192 Cb 1.16 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3mw9 h ILE 192 CO 0.68 0.01 0.00 0.59 -1.08 0.00 0.00 178.15 178.35 3mw9 n ASN 193 N -3.24 3.68 -0.33 2.19 3.02 -1.26 -4.75 115.26 114.57 3mw9 n ASN 193 Ca -0.02 -2.39 0.23 0.00 -0.03 0.00 0.00 54.58 52.36 3mw9 n ASN 193 Cb 0.13 -0.41 0.43 0.00 -0.61 0.00 0.00 39.78 39.32 3mw9 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mw9 h ALA 194 N 2.55 1.67 0.00 5.41 0.00 -1.59 0.20 119.26 127.50 3mw9 h ALA 194 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3mw9 h ALA 194 Cb 1.11 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3mw9 h ALA 194 CO 0.12 -0.73 0.00 0.72 0.00 0.00 0.00 179.25 179.36 3mw9 n HIS 195 N -5.33 0.00 -0.24 0.00 8.25 -1.26 -2.13 115.22 114.51 3mw9 n HIS 195 Ca 0.30 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.85 3mw9 n HIS 195 Cb 0.99 -0.08 0.31 0.00 1.12 0.00 0.00 29.99 32.33 3mw9 n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mw9 n ALA 196 N -1.08 2.83 0.68 -1.41 0.00 0.72 -4.35 120.51 117.89 3mw9 n ALA 196 Ca 0.15 -1.30 0.13 0.00 0.00 0.00 0.00 53.44 52.41 3mw9 n ALA 196 Cb 0.11 -1.00 0.47 0.00 0.00 0.00 0.00 19.45 19.03 3mw9 n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mw9 s VAL 198 N -3.10 0.03 0.54 0.00 0.11 -1.26 -3.45 120.40 113.26 3mw9 s VAL 198 Ca 0.10 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3mw9 s VAL 198 Cb 0.13 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3mw9 s VAL 198 CO 0.51 -0.15 0.27 0.42 -3.33 0.00 0.00 175.10 172.82 3mw9 s THR 199 N -1.36 1.46 0.00 5.04 -4.23 -0.67 -4.72 115.64 111.16 3mw9 s THR 199 Ca -0.12 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3mw9 s THR 199 Cb -0.03 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3mw9 s THR 199 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3mw9 n GLY 200 N -1.60 0.51 3.74 3.99 0.00 -1.26 -4.30 105.19 106.26 3mw9 n GLY 200 Ca -0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3mw9 n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mw9 s LYS 201 N -0.68 1.56 0.55 1.61 1.02 -1.26 -4.04 119.74 118.51 3mw9 s LYS 201 Ca 0.00 0.85 -0.18 0.00 0.02 0.00 0.00 55.97 56.67 3mw9 s LYS 201 Cb 0.00 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 3mw9 s LYS 201 CO 0.00 -2.04 1.06 -2.14 -0.92 0.00 0.00 175.35 171.31 3mw9 s PRO 202 N -4.96 3.48 0.24 -1.68 0.02 -1.26 -4.00 135.00 126.84 3mw9 s PRO 202 Ca 0.63 1.29 -0.05 0.00 0.02 0.00 0.00 61.00 62.89 3mw9 s PRO 202 Cb -0.17 -2.05 0.42 0.00 0.02 0.00 0.00 34.50 32.71 3mw9 s PRO 202 CO 0.56 -0.69 1.77 0.82 -0.33 0.00 0.00 177.00 179.13 3mw9 h ILE 203 N 0.87 0.79 0.00 2.83 1.08 -1.90 0.20 117.51 121.39 3mw9 h ILE 203 Ca -0.48 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 3mw9 h ILE 203 Cb 1.22 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3mw9 h ILE 203 CO 0.58 0.11 0.22 0.77 -0.69 0.00 0.00 178.15 179.14 3mw9 h SER 204 N 0.61 0.00 -0.26 1.72 4.64 -1.92 -1.99 113.55 116.35 3mw9 h SER 204 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3mw9 h SER 204 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3mw9 h SER 204 CO -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.65 3mw9 n GLN 205 N -2.88 2.57 0.00 4.77 1.13 0.59 -4.93 117.38 118.63 3mw9 n GLN 205 Ca -0.02 -1.86 0.00 0.00 -1.94 0.00 0.00 57.00 53.18 3mw9 n GLN 205 Cb 0.27 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.40 3mw9 n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mw9 n GLY 206 N 0.39 1.38 3.77 1.08 0.00 -0.75 -4.87 105.19 106.19 3mw9 n GLY 206 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3mw9 n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mw9 s GLY 207 N -2.00 1.63 0.13 -0.02 0.00 -0.51 -4.85 107.32 101.69 3mw9 s GLY 207 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.67 3mw9 s GLY 207 CO 0.00 0.34 0.04 -1.50 0.00 0.00 0.00 173.10 171.99 3mw9 s ILE 208 N -3.04 4.11 0.25 0.90 2.07 -1.26 -4.53 121.20 119.70 3mw9 s ILE 208 Ca 0.62 -1.11 -0.31 0.00 -1.41 0.00 0.00 60.65 58.43 3mw9 s ILE 208 Cb -0.16 -3.03 -0.12 0.00 0.13 0.00 0.00 42.46 39.28 3mw9 s ILE 208 CO 0.56 -0.01 1.62 1.57 -1.91 0.00 0.00 174.94 176.77 3mw9 n HIS 209 N 0.12 2.72 -1.00 3.50 -0.00 -1.26 -2.81 115.22 116.49 3mw9 n HIS 209 Ca -0.10 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 3mw9 n HIS 209 Cb 0.53 -2.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 3mw9 n HIS 209 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3mw9 n GLY 210 N 2.86 0.91 0.34 1.57 0.00 -1.26 -4.91 105.19 104.71 3mw9 n GLY 210 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3mw9 n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mw9 h ARG 211 N 2.67 1.14 -0.73 1.61 9.65 -1.89 0.42 114.38 127.25 3mw9 h ARG 211 Ca 0.00 -0.17 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 3mw9 h ARG 211 Cb 0.00 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 3mw9 h ARG 211 CO 0.00 0.89 0.26 0.97 2.80 0.00 0.00 179.97 184.89 3mw9 h ILE 212 N 1.13 1.25 -0.00 1.20 2.10 -1.91 -2.18 117.51 119.10 3mw9 h ILE 212 Ca 0.27 -0.83 0.00 0.00 1.08 0.00 0.00 64.86 65.38 3mw9 h ILE 212 Cb 0.14 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 3mw9 h ILE 212 CO -0.03 0.33 -0.51 -1.54 -1.08 0.00 0.00 178.15 175.31 3mw9 n SER 213 N -4.27 0.66 -0.31 2.19 3.41 -0.99 -4.54 113.62 109.77 3mw9 n SER 213 Ca 0.06 -0.45 0.09 0.00 -0.26 0.00 0.00 58.87 58.31 3mw9 n SER 213 Cb 0.20 0.31 0.30 0.00 -0.26 0.00 0.00 64.21 64.76 3mw9 n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mw9 h ALA 214 N 3.12 1.65 0.00 7.33 0.00 0.50 0.16 119.26 132.02 3mw9 h ALA 214 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3mw9 h ALA 214 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3mw9 h ALA 214 CO 0.00 0.13 -0.41 0.00 0.00 0.00 0.00 179.25 178.96 3mw9 h THR 215 N 0.87 0.88 -0.16 0.00 1.03 -1.78 0.67 112.91 114.42 3mw9 h THR 215 Ca 0.46 -1.70 -0.19 0.00 -0.01 0.00 0.00 66.41 64.96 3mw9 h THR 215 Cb 0.53 2.05 0.01 0.00 -1.07 0.00 0.00 68.15 69.67 3mw9 h THR 215 CO -0.22 0.40 -0.64 1.23 -0.01 0.00 0.00 175.52 176.29 3mw9 h GLY 216 N 2.40 0.79 1.87 2.99 0.00 -1.27 -1.72 103.07 108.13 3mw9 h GLY 216 Ca -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.23 3mw9 h GLY 216 CO 0.05 0.95 -0.03 -0.09 0.00 0.00 0.00 176.54 177.42 3mw9 h ARG 217 N 0.42 0.16 -0.26 4.80 2.43 -0.86 -1.58 114.38 119.49 3mw9 h ARG 217 Ca -0.03 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3mw9 h ARG 217 Cb 1.27 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3mw9 h ARG 217 CO 0.13 0.21 -0.04 0.78 -1.51 0.00 0.00 179.97 179.54 3mw9 h GLY 218 N 0.44 0.53 0.95 2.80 0.00 -0.69 -2.27 103.07 104.82 3mw9 h GLY 218 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3mw9 h GLY 218 CO 0.01 0.39 0.47 -2.08 0.00 0.00 0.00 176.54 175.32 3mw9 h VAL 219 N 0.24 1.15 -0.93 4.60 2.07 -0.74 -1.25 116.25 121.39 3mw9 h VAL 219 Ca 0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3mw9 h VAL 219 Cb 0.50 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3mw9 h VAL 219 CO 0.02 0.17 0.60 0.15 0.02 0.00 0.00 177.57 178.54 3mw9 h PHE 220 N 0.93 1.18 -0.19 1.57 3.57 -1.15 -2.51 116.94 120.34 3mw9 h PHE 220 Ca 0.27 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.62 3mw9 h PHE 220 Cb -0.06 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.28 3mw9 h PHE 220 CO -0.03 0.75 -0.59 0.45 -2.23 0.00 0.00 178.31 176.66 3mw9 h HIS 221 N 1.26 0.79 -0.19 0.41 3.86 -0.77 -1.85 115.15 118.66 3mw9 h HIS 221 Ca 0.34 -0.29 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 3mw9 h HIS 221 Cb -0.13 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 3mw9 h HIS 221 CO -0.00 1.05 -0.24 0.78 0.86 0.00 0.00 177.93 180.38 3mw9 h GLY 222 N 0.98 0.39 0.31 2.45 0.00 -1.12 -1.53 103.07 104.54 3mw9 h GLY 222 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3mw9 h GLY 222 CO 0.11 0.27 -0.03 -2.22 0.00 0.00 0.00 176.54 174.68 3mw9 h ILE 223 N 0.32 1.29 -1.03 2.60 2.04 -1.37 -3.25 117.51 118.11 3mw9 h ILE 223 Ca 0.05 -1.47 0.26 0.00 1.00 0.00 0.00 64.86 64.70 3mw9 h ILE 223 Cb 0.61 2.21 -0.10 0.00 -0.74 0.00 0.00 36.82 38.80 3mw9 h ILE 223 CO 0.04 0.35 0.65 -0.08 0.00 0.00 0.00 178.15 179.12 3mw9 h GLU 224 N -0.76 0.43 0.00 2.37 4.81 -1.19 0.71 114.58 120.94 3mw9 h GLU 224 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3mw9 h GLU 224 Cb 0.63 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3mw9 h GLU 224 CO 0.01 0.28 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.52 3mw9 h ASN 225 N 0.44 0.00 0.00 1.04 2.35 -1.31 -2.93 115.58 115.17 3mw9 h ASN 225 Ca 0.59 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 56.14 3mw9 h ASN 225 Cb 1.42 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.75 3mw9 h ASN 225 CO -0.32 0.15 -1.91 0.49 -1.65 0.00 0.00 177.43 174.19 3mw9 n PHE 226 N -3.55 0.00 0.24 1.19 3.01 0.17 -4.29 117.46 114.22 3mw9 n PHE 226 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 3mw9 n PHE 226 Cb 0.29 -0.62 0.55 0.00 -0.01 0.00 0.00 39.48 39.68 3mw9 n PHE 226 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3mw9 h ILE 227 N 0.00 0.46 -0.58 4.37 6.09 0.07 -3.05 117.51 124.86 3mw9 h ILE 227 Ca -0.31 -0.92 0.00 0.00 -1.37 0.00 0.00 64.86 62.27 3mw9 h ILE 227 Cb 1.63 1.65 0.00 0.00 0.47 0.00 0.00 36.82 40.57 3mw9 h ILE 227 CO 0.02 0.17 0.00 0.59 -3.07 0.00 0.00 178.15 175.85 3mw9 n ASN 228 N -3.38 4.71 -4.14 2.19 5.03 -1.11 -2.76 115.26 115.80 3mw9 n ASN 228 Ca -0.00 -2.54 -0.38 0.00 0.87 0.00 0.00 54.58 52.53 3mw9 n ASN 228 Cb 0.38 -0.57 -0.10 0.00 -1.02 0.00 0.00 39.78 38.47 3mw9 n ASN 228 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3mw9 s GLU 229 N -2.01 2.34 0.55 3.52 2.56 -1.15 -4.97 118.70 119.55 3mw9 s GLU 229 Ca 0.49 -2.05 0.27 0.00 0.00 0.00 0.00 54.97 53.69 3mw9 s GLU 229 Cb 0.33 -3.74 1.46 0.00 2.00 0.00 0.00 34.13 34.18 3mw9 s GLU 229 CO 0.22 -1.14 1.97 0.00 -0.56 0.00 0.00 175.26 175.75 3mw9 h ALA 230 N 7.83 2.37 -0.04 6.30 0.00 -1.87 -1.03 119.26 132.82 3mw9 h ALA 230 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3mw9 h ALA 230 Cb 1.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3mw9 h ALA 230 CO 0.74 -0.68 -0.23 0.66 0.00 0.00 0.00 179.25 179.75 3mw9 h SER 231 N 0.00 0.06 0.13 0.00 4.64 -1.96 -1.43 113.55 114.99 3mw9 h SER 231 Ca 0.24 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.30 3mw9 h SER 231 Cb 1.07 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3mw9 h SER 231 CO -0.00 0.29 -1.23 1.88 -0.87 0.00 0.00 176.83 176.90 3mw9 h TYR 232 N 0.06 0.48 0.00 4.77 0.05 -1.52 -3.33 116.97 117.47 3mw9 h TYR 232 Ca 0.01 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 3mw9 h TYR 232 Cb 0.44 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 3mw9 h TYR 232 CO 0.00 1.48 -0.01 0.52 -1.05 0.00 0.00 178.16 179.10 3mw9 h MET 233 N -0.32 0.00 0.54 4.88 2.86 -1.42 -1.94 114.93 119.52 3mw9 h MET 233 Ca -0.25 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 3mw9 h MET 233 Cb 1.73 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.39 3mw9 h MET 233 CO 0.09 0.01 -0.26 0.77 1.06 0.00 0.00 176.91 178.58 3mw9 h SER 234 N 0.00 -0.61 -0.61 1.22 0.02 -1.38 0.66 113.55 112.85 3mw9 h SER 234 Ca -0.00 -0.04 0.18 0.00 -0.84 0.00 0.00 61.79 61.09 3mw9 h SER 234 Cb 0.21 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3mw9 h SER 234 CO 0.00 -0.33 0.46 0.40 -1.14 0.00 0.00 176.83 176.22 3mw9 h ILE 235 N -0.88 0.62 -0.01 3.27 1.08 -1.46 0.38 117.51 120.51 3mw9 h ILE 235 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3mw9 h ILE 235 Cb 0.61 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3mw9 h ILE 235 CO 0.12 0.00 -0.31 0.18 -0.69 0.00 0.00 178.15 177.45 3mw9 n LEU 236 N -4.23 1.57 -3.55 1.44 4.77 -1.08 -4.97 117.00 110.95 3mw9 n LEU 236 Ca 0.12 -0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 55.34 3mw9 n LEU 236 Cb 0.71 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.79 3mw9 n LEU 236 CO 0.36 0.29 -0.04 0.61 -1.33 0.00 0.00 177.39 177.28 3mw9 n GLY 237 N 1.36 -0.88 3.16 -0.72 0.00 0.12 -5.02 105.19 103.21 3mw9 n GLY 237 Ca 0.12 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 3mw9 n GLY 237 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mw9 s MET 238 N -5.47 0.84 -0.17 1.61 1.00 0.13 -5.04 119.30 112.20 3mw9 s MET 238 Ca 0.36 -1.36 -0.15 0.00 0.00 0.00 0.00 55.69 54.54 3mw9 s MET 238 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 34.83 34.61 3mw9 s MET 238 CO 0.81 -0.08 0.35 -0.08 0.00 0.00 0.00 175.02 176.02 3mw9 s THR 239 N -3.74 5.26 0.37 2.05 -1.32 -1.26 -4.51 115.64 112.49 3mw9 s THR 239 Ca 0.14 0.66 -0.26 0.00 -1.21 0.00 0.00 61.69 61.02 3mw9 s THR 239 Cb 0.06 -3.69 -0.12 0.00 -1.51 0.00 0.00 72.50 67.24 3mw9 s THR 239 CO -0.04 0.34 0.98 -2.65 -2.21 0.00 0.00 174.62 171.04 3mw9 n PRO 240 N 3.86 1.32 0.00 7.08 -0.02 -1.26 -4.86 135.00 141.12 3mw9 n PRO 240 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3mw9 n PRO 240 Cb 0.52 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3mw9 n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mw9 n GLY 241 N 1.23 1.51 0.25 -1.23 0.00 -1.11 -4.81 105.19 101.03 3mw9 n GLY 241 Ca 0.09 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.12 3mw9 n GLY 241 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mw9 n PHE 242 N 0.46 0.00 -0.20 1.61 3.72 -1.26 -4.66 117.46 117.13 3mw9 n PHE 242 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3mw9 n PHE 242 Cb 0.00 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.56 3mw9 n PHE 242 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3mw9 h GLY 243 N 4.92 0.19 -2.34 1.37 0.00 -1.80 -2.41 103.07 103.02 3mw9 h GLY 243 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3mw9 h GLY 243 CO 0.00 -0.23 0.00 2.09 0.00 0.00 0.00 176.54 178.40 3mw9 n ASP 244 N -5.44 3.83 -4.91 0.19 3.85 -1.26 -4.76 116.55 108.06 3mw9 n ASP 244 Ca 0.06 -2.13 -0.28 0.00 -0.71 0.00 0.00 54.79 51.73 3mw9 n ASP 244 Cb 0.34 -0.44 -0.03 0.00 -1.35 0.00 0.00 41.12 39.64 3mw9 n ASP 244 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3mw9 s LYS 245 N -1.23 3.60 0.02 0.11 3.01 -0.91 -4.99 119.74 119.35 3mw9 s LYS 245 Ca 0.42 -0.09 0.04 0.00 -1.01 0.00 0.00 55.97 55.33 3mw9 s LYS 245 Cb 0.24 -2.71 -0.02 0.00 -1.01 0.00 0.00 37.83 34.33 3mw9 s LYS 245 CO 0.26 0.28 -0.12 -0.08 0.51 0.00 0.00 175.35 176.20 3mw9 s THR 246 N -2.00 0.92 0.06 2.17 -1.32 -1.26 -0.99 115.64 113.22 3mw9 s THR 246 Ca 0.42 -0.74 -0.18 0.00 -1.21 0.00 0.00 61.69 59.98 3mw9 s THR 246 Cb -0.11 -0.81 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 3mw9 s THR 246 CO 0.29 0.07 0.42 0.72 -2.21 0.00 0.00 174.62 173.91 3mw9 s PHE 247 N -0.61 -0.26 0.03 9.09 -0.12 0.06 -1.41 117.98 124.76 3mw9 s PHE 247 Ca 0.02 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 3mw9 s PHE 247 Cb -0.06 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3mw9 s PHE 247 CO 0.00 -0.60 -0.11 0.54 -0.05 0.00 0.00 175.22 175.00 3mw9 s VAL 248 N -2.77 0.81 -0.13 -2.49 0.11 -0.47 -1.98 120.40 113.47 3mw9 s VAL 248 Ca -0.03 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 3mw9 s VAL 248 Cb -0.00 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3mw9 s VAL 248 CO -0.04 -0.06 -0.16 0.54 -3.33 0.00 0.00 175.10 172.04 3mw9 s VAL 249 N -0.82 1.67 -0.39 2.04 0.11 -1.02 -0.45 120.40 121.55 3mw9 s VAL 249 Ca -0.01 -0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 58.08 3mw9 s VAL 249 Cb -0.07 -1.53 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 3mw9 s VAL 249 CO 0.01 0.48 0.78 -1.58 -3.33 0.00 0.00 175.10 171.45 3mw9 s GLN 250 N 1.16 3.63 0.00 1.54 0.74 -0.66 -0.59 119.66 125.49 3mw9 s GLN 250 Ca -0.01 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.56 3mw9 s GLN 250 Cb -0.14 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.12 3mw9 s GLN 250 CO -0.06 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3mw9 n GLY 251 N 4.69 1.93 2.57 2.59 0.00 0.16 0.12 105.19 117.26 3mw9 n GLY 251 Ca 0.03 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3mw9 n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mw9 n PHE 252 N 1.84 3.19 -1.27 1.61 7.35 -1.25 -4.00 117.46 124.94 3mw9 n PHE 252 Ca 0.00 -2.75 0.00 0.00 -0.76 0.00 0.00 57.45 53.94 3mw9 n PHE 252 Cb 0.00 -0.58 0.00 0.00 0.35 0.00 0.00 39.48 39.25 3mw9 n PHE 252 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3mw9 n GLY 253 N -0.56 2.22 0.33 7.13 0.00 -1.26 -4.47 105.19 108.57 3mw9 n GLY 253 Ca 0.46 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 3mw9 n GLY 253 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mw9 h ASN 254 N 0.00 1.01 0.07 1.61 -0.26 -1.94 -0.00 115.58 116.06 3mw9 h ASN 254 Ca 0.00 -0.06 -0.28 0.00 -0.56 0.00 0.00 56.30 55.40 3mw9 h ASN 254 Cb 0.00 -0.25 0.03 0.00 -1.06 0.00 0.00 38.32 37.03 3mw9 h ASN 254 CO 0.00 0.77 -1.14 -0.37 -1.06 0.00 0.00 177.43 175.64 3mw9 h VAL 255 N 1.15 1.29 0.24 2.81 -1.51 -1.89 -3.21 116.25 115.13 3mw9 h VAL 255 Ca 0.30 -2.36 -0.01 0.00 -1.23 0.00 0.00 66.70 63.40 3mw9 h VAL 255 Cb -0.05 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3mw9 h VAL 255 CO -0.06 0.72 -0.12 1.23 -1.23 0.00 0.00 177.57 178.12 3mw9 h GLY 256 N 0.30 -0.34 0.65 5.19 0.00 -1.64 -1.78 103.07 105.45 3mw9 h GLY 256 Ca -0.16 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.34 3mw9 h GLY 256 CO 0.22 -0.12 0.06 -2.00 0.00 0.00 0.00 176.54 174.70 3mw9 h LEU 257 N -0.33 0.02 -0.19 3.11 5.85 -1.15 -2.34 115.31 120.28 3mw9 h LEU 257 Ca -0.03 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 3mw9 h LEU 257 Cb 0.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3mw9 h LEU 257 CO 0.05 0.05 -0.84 0.45 -0.34 0.00 0.00 178.44 177.82 3mw9 h HIS 258 N 0.18 0.00 -0.72 1.25 3.86 -1.54 -1.29 115.15 116.89 3mw9 h HIS 258 Ca 0.14 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3mw9 h HIS 258 Cb 0.15 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3mw9 h HIS 258 CO -0.17 0.84 0.23 0.77 0.86 0.00 0.00 177.93 180.45 3mw9 h SER 259 N 0.00 1.03 0.01 2.45 0.02 -1.25 -1.70 113.55 114.12 3mw9 h SER 259 Ca -0.01 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3mw9 h SER 259 Cb 1.55 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3mw9 h SER 259 CO 0.11 0.95 -0.01 -0.03 -1.14 0.00 0.00 176.83 176.71 3mw9 h MET 260 N 1.06 -0.02 -0.10 3.45 -1.53 -0.98 -2.26 114.93 114.55 3mw9 h MET 260 Ca 0.23 0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.53 3mw9 h MET 260 Cb 0.29 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.30 3mw9 h MET 260 CO -0.01 0.09 -0.15 0.00 0.14 0.00 0.00 176.91 176.98 3mw9 h ARG 261 N -0.12 -0.19 -0.44 0.39 3.08 -0.89 -1.08 114.38 115.12 3mw9 h ARG 261 Ca -0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3mw9 h ARG 261 Cb 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3mw9 h ARG 261 CO 0.00 -0.13 0.14 1.88 -1.07 0.00 0.00 179.97 180.80 3mw9 h TYR 262 N -0.20 0.70 -0.50 3.04 0.99 -1.31 -0.72 116.97 118.97 3mw9 h TYR 262 Ca 0.08 -0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 3mw9 h TYR 262 Cb 0.32 -0.20 -0.02 0.00 1.00 0.00 0.00 36.73 37.83 3mw9 h TYR 262 CO -0.25 0.63 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.33 3mw9 h LEU 263 N 0.57 0.97 -0.45 3.88 3.38 -1.30 -2.70 115.31 119.65 3mw9 h LEU 263 Ca 0.14 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3mw9 h LEU 263 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3mw9 h LEU 263 CO -0.00 1.10 0.22 -0.74 0.09 0.00 0.00 178.44 179.11 3mw9 h HIS 264 N 0.85 0.41 -0.64 1.13 2.76 -0.98 -1.11 115.15 117.57 3mw9 h HIS 264 Ca 0.13 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 3mw9 h HIS 264 Cb 0.69 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 3mw9 h HIS 264 CO 0.04 0.21 0.43 -0.09 -1.30 0.00 0.00 177.93 177.22 3mw9 h ARG 265 N 0.45 0.67 -0.80 5.26 2.43 -0.83 -1.64 114.38 119.91 3mw9 h ARG 265 Ca 0.19 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.09 3mw9 h ARG 265 Cb 0.10 -0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 29.36 3mw9 h ARG 265 CO -0.14 0.44 0.29 1.19 -1.51 0.00 0.00 179.97 180.25 3mw9 n PHE 266 N -4.47 2.34 -0.36 2.20 3.01 -0.98 -4.92 117.46 114.28 3mw9 n PHE 266 Ca 0.09 -1.18 0.00 0.00 1.01 0.00 0.00 57.45 57.37 3mw9 n PHE 266 Cb 0.19 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3mw9 n PHE 266 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mw9 n GLY 267 N -0.19 0.70 3.84 1.37 0.00 -0.62 -4.53 105.19 105.75 3mw9 n GLY 267 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 3mw9 n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw9 s ALA 268 N -2.65 2.82 -0.14 4.61 0.00 -0.46 -4.46 121.76 121.47 3mw9 s ALA 268 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.01 3mw9 s ALA 268 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.99 3mw9 s ALA 268 CO 0.00 -1.05 -0.20 0.21 0.00 0.00 0.00 175.76 174.72 3mw9 s LYS 269 N -5.09 2.81 -0.30 0.00 2.20 -0.16 -4.22 119.74 114.98 3mw9 s LYS 269 Ca 0.57 -0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 3mw9 s LYS 269 Cb -0.13 -2.33 -0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3mw9 s LYS 269 CO 0.55 -0.08 0.76 0.00 -0.36 0.00 0.00 175.35 176.22 3mw9 n ILE 271 N 5.47 0.00 -3.62 0.00 -5.35 -0.84 -0.39 119.36 114.63 3mw9 n ILE 271 Ca 0.03 -0.05 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 3mw9 n ILE 271 Cb 0.48 0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 3mw9 n ILE 271 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3mw9 s THR 272 N -2.89 0.00 -0.04 7.28 -4.23 -1.26 0.91 115.64 115.40 3mw9 s THR 272 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3mw9 s THR 272 Cb 0.17 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 73.03 3mw9 s THR 272 CO 0.80 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.17 3mw9 s VAL 273 N -0.14 0.30 -0.07 2.29 1.01 -0.80 -2.42 120.40 120.57 3mw9 s VAL 273 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 3mw9 s VAL 273 Cb -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3mw9 s VAL 273 CO -0.04 0.19 0.11 -0.83 0.00 0.00 0.00 175.10 174.53 3mw9 s GLY 274 N 1.16 2.08 0.28 4.51 0.00 0.24 -1.94 107.32 113.66 3mw9 s GLY 274 Ca -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3mw9 s GLY 274 CO -0.02 -0.55 0.13 -0.54 0.00 0.00 0.00 173.10 172.13 3mw9 s GLU 275 N -1.34 1.51 0.46 2.90 0.41 0.68 0.39 118.70 123.70 3mw9 s GLU 275 Ca 0.19 -1.84 0.17 0.00 -0.41 0.00 0.00 54.97 53.08 3mw9 s GLU 275 Cb -0.12 -0.17 1.08 0.00 -1.78 0.00 0.00 34.13 33.14 3mw9 s GLU 275 CO 0.09 -0.38 2.00 0.66 -0.49 0.00 0.00 175.26 177.14 3mw9 h SER 276 N 2.29 0.00 0.61 -0.19 4.64 -2.01 -2.77 113.55 116.12 3mw9 h SER 276 Ca -0.36 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.78 3mw9 h SER 276 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 3mw9 h SER 276 CO 0.56 0.19 -1.52 -0.90 -0.87 0.00 0.00 176.83 174.29 3mw9 n ASP 277 N -4.14 0.76 0.00 4.97 5.68 -1.26 -5.07 116.55 117.49 3mw9 n ASP 277 Ca -0.02 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 3mw9 n ASP 277 Cb 0.26 0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3mw9 n ASP 277 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mw9 n GLY 278 N 1.42 -1.43 3.39 6.12 0.00 -1.05 -5.10 105.19 108.54 3mw9 n GLY 278 Ca -0.11 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 3mw9 n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mw9 s SER 279 N -1.09 3.02 0.14 1.61 0.01 -1.26 -0.23 113.70 115.89 3mw9 s SER 279 Ca 0.00 -0.96 0.06 0.00 1.31 0.00 0.00 55.95 56.36 3mw9 s SER 279 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 3mw9 s SER 279 CO 0.00 -0.03 -0.13 0.27 0.41 0.00 0.00 173.24 173.76 3mw9 s ILE 280 N -2.40 1.32 -0.12 1.44 -4.36 -0.82 -1.45 121.20 114.81 3mw9 s ILE 280 Ca 0.23 -1.87 -0.13 0.00 -0.26 0.00 0.00 60.65 58.61 3mw9 s ILE 280 Cb -0.04 -1.68 0.03 0.00 1.25 0.00 0.00 42.46 42.02 3mw9 s ILE 280 CO 0.10 -0.54 0.36 0.86 0.24 0.00 0.00 174.94 175.95 3mw9 s TRP 281 N -2.59 -0.37 -0.29 1.37 -0.00 -0.83 -1.90 118.94 114.32 3mw9 s TRP 281 Ca 0.13 0.88 -0.04 0.00 -0.00 0.00 0.00 56.10 57.07 3mw9 s TRP 281 Cb -0.02 0.13 0.19 0.00 -0.00 0.00 0.00 33.47 33.77 3mw9 s TRP 281 CO 0.03 -0.22 0.85 1.21 -0.00 0.00 0.00 176.95 178.81 3mw9 s ASN 282 N -0.02 -0.95 0.00 5.86 3.04 0.26 -1.73 114.94 121.40 3mw9 s ASN 282 Ca -0.02 0.12 0.04 0.00 0.04 0.00 0.00 52.86 53.04 3mw9 s ASN 282 Cb -0.03 1.61 0.23 0.00 -1.54 0.00 0.00 41.25 41.52 3mw9 s ASN 282 CO 0.01 -0.17 0.94 -2.65 -3.04 0.00 0.00 177.10 172.19 3mw9 n PRO 283 N 5.25 0.08 0.10 0.43 -0.02 -1.26 -0.20 135.00 139.37 3mw9 n PRO 283 Ca 0.07 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 3mw9 n PRO 283 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3mw9 n PRO 283 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3mw9 h ASP 284 N 0.00 0.00 -3.71 2.55 3.32 -1.91 -3.49 116.42 113.18 3mw9 h ASP 284 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mw9 h ASP 284 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3mw9 h ASP 284 CO 0.00 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 3mw9 n GLY 285 N 1.24 3.48 3.34 2.75 0.00 0.72 -5.01 105.19 111.70 3mw9 n GLY 285 Ca -0.02 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 3mw9 n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mw9 s ILE 286 N -1.75 2.33 -0.36 -0.61 1.01 0.48 -4.94 121.20 117.36 3mw9 s ILE 286 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 3mw9 s ILE 286 Cb 0.00 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3mw9 s ILE 286 CO 0.00 0.58 0.58 -0.62 0.00 0.00 0.00 174.94 175.47 3mw9 s ASP 287 N -0.43 6.37 0.32 3.58 -1.08 -1.26 -4.59 116.67 119.57 3mw9 s ASP 287 Ca 0.05 0.03 0.07 0.00 -0.52 0.00 0.00 52.55 52.17 3mw9 s ASP 287 Cb -0.12 -2.30 0.76 0.00 -1.46 0.00 0.00 42.92 39.81 3mw9 s ASP 287 CO 0.01 -0.55 1.79 -0.65 0.52 0.00 0.00 175.17 176.30 3mw9 h PRO 288 N 8.48 0.73 -0.47 4.34 0.11 -1.97 0.24 132.00 143.46 3mw9 h PRO 288 Ca -0.27 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 3mw9 h PRO 288 Cb 1.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3mw9 h PRO 288 CO 0.81 0.48 -0.19 -0.22 -0.21 0.00 0.00 178.00 178.66 3mw9 h LYS 289 N 0.75 0.93 -0.23 1.05 1.63 -1.99 -1.41 116.57 117.30 3mw9 h LYS 289 Ca 0.56 -0.38 -0.12 0.00 -0.85 0.00 0.00 60.65 59.86 3mw9 h LYS 289 Cb 0.89 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 3mw9 h LYS 289 CO -0.34 1.04 -0.33 0.93 -3.45 0.00 0.00 179.45 177.29 3mw9 h GLU 290 N 0.81 0.63 -0.37 1.90 5.08 -1.68 -2.07 114.58 118.89 3mw9 h GLU 290 Ca 0.11 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3mw9 h GLU 290 Cb 0.75 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 3mw9 h GLU 290 CO 0.06 0.98 0.14 1.25 -1.00 0.00 0.00 179.01 180.44 3mw9 h LEU 291 N 0.34 0.17 -0.28 1.33 6.46 -0.96 0.10 115.31 122.46 3mw9 h LEU 291 Ca 0.02 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3mw9 h LEU 291 Cb 0.91 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 3mw9 h LEU 291 CO 0.08 0.14 0.06 -0.08 -0.62 0.00 0.00 178.44 178.01 3mw9 h GLU 292 N 0.30 0.46 -0.68 1.25 4.81 -1.24 0.53 114.58 120.02 3mw9 h GLU 292 Ca 0.16 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3mw9 h GLU 292 Cb 0.13 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 3mw9 h GLU 292 CO -0.16 0.56 0.37 -0.44 -0.73 0.00 0.00 179.01 178.61 3mw9 h ASP 293 N 0.29 0.54 0.43 1.04 3.45 -1.27 0.21 116.42 121.12 3mw9 h ASP 293 Ca 0.09 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 3mw9 h ASP 293 Cb 0.31 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3mw9 h ASP 293 CO 0.00 0.34 -0.22 0.15 -1.57 0.00 0.00 179.24 177.95 3mw9 h PHE 294 N 0.68 -0.56 -0.75 4.55 3.04 -0.28 -0.94 116.94 122.68 3mw9 h PHE 294 Ca 0.31 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.33 3mw9 h PHE 294 Cb 0.22 0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.85 3mw9 h PHE 294 CO -0.08 -0.35 0.41 -0.22 -2.02 0.00 0.00 178.31 176.05 3mw9 h LYS 295 N -0.59 0.68 -0.43 1.11 1.63 0.32 -0.45 116.57 118.84 3mw9 h LYS 295 Ca -0.06 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 3mw9 h LYS 295 Cb 0.46 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3mw9 h LYS 295 CO 0.09 0.45 0.17 -0.07 -3.45 0.00 0.00 179.45 176.64 3mw9 h LEU 296 N 0.70 0.55 -0.09 5.20 3.38 -0.49 0.11 115.31 124.67 3mw9 h LEU 296 Ca 0.36 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 58.02 3mw9 h LEU 296 Cb 0.32 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3mw9 h LEU 296 CO -0.24 0.50 -1.01 -0.61 0.09 0.00 0.00 178.44 177.18 3mw9 h GLN 297 N 0.61 0.49 0.00 1.13 5.75 0.31 -3.39 115.11 120.00 3mw9 h GLN 297 Ca 0.15 -0.55 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 3mw9 h GLN 297 Cb 0.13 0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3mw9 h GLN 297 CO -0.01 1.19 0.00 0.72 -2.65 0.00 0.00 178.83 178.07 3mw9 n HIS 298 N -3.76 0.00 -1.51 3.99 8.25 -0.47 -5.02 115.22 116.70 3mw9 n HIS 298 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.23 3mw9 n HIS 298 Cb 0.87 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 3mw9 n HIS 298 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mw9 n GLY 299 N 0.38 1.33 3.48 -1.41 0.00 0.37 -4.96 105.19 104.38 3mw9 n GLY 299 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 3mw9 n GLY 299 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mw9 s THR 300 N -2.56 0.00 -0.23 2.61 -1.32 -1.25 -5.03 115.64 107.86 3mw9 s THR 300 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 3mw9 s THR 300 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 3mw9 s THR 300 CO 0.00 0.00 1.02 2.30 -2.21 0.00 0.00 174.62 175.73 3mw9 n ILE 301 N 0.23 0.62 -1.72 5.08 -5.35 -1.26 -4.20 119.36 112.75 3mw9 n ILE 301 Ca -0.17 -0.55 -0.43 0.00 -0.27 0.00 0.00 62.75 61.34 3mw9 n ILE 301 Cb 0.61 -0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.14 3mw9 n ILE 301 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mw9 n LEU 302 N -2.67 3.93 0.00 7.28 4.77 -1.26 -2.11 117.00 126.94 3mw9 n LEU 302 Ca -0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3mw9 n LEU 302 Cb 0.56 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3mw9 n LEU 302 CO 0.40 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3mw9 n GLY 303 N 3.24 0.79 3.67 -0.72 0.00 -1.26 -5.01 105.19 105.90 3mw9 n GLY 303 Ca 0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.68 3mw9 n GLY 303 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mw9 n PHE 304 N -2.17 2.27 -0.31 1.61 7.35 -0.90 -4.85 117.46 120.47 3mw9 n PHE 304 Ca 0.00 0.14 0.13 0.00 -0.76 0.00 0.00 57.45 56.96 3mw9 n PHE 304 Cb 0.00 -2.60 0.36 0.00 0.35 0.00 0.00 39.48 37.59 3mw9 n PHE 304 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3mw9 h PRO 305 N 7.73 0.69 -1.00 -7.13 0.11 -1.95 -2.61 132.00 127.84 3mw9 h PRO 305 Ca -0.47 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.04 3mw9 h PRO 305 Cb 1.27 -0.15 -0.31 0.00 0.11 0.00 0.00 31.00 31.92 3mw9 h PRO 305 CO 0.92 0.45 0.71 1.63 -0.21 0.00 0.00 178.00 181.51 3mw9 n LYS 306 N -4.63 2.36 -3.53 1.05 4.76 -1.26 -4.92 118.16 111.99 3mw9 n LYS 306 Ca 0.20 -3.08 -0.10 0.00 -2.87 0.00 0.00 58.31 52.47 3mw9 n LYS 306 Cb 0.54 -2.21 -0.02 0.00 -1.84 0.00 0.00 35.03 31.50 3mw9 n LYS 306 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mw9 s ALA 307 N -3.43 -1.61 -0.18 7.82 0.00 -0.98 -4.88 121.76 118.50 3mw9 s ALA 307 Ca 0.59 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 3mw9 s ALA 307 Cb 0.49 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 3mw9 s ALA 307 CO 0.08 -0.81 0.13 0.15 0.00 0.00 0.00 175.76 175.31 3mw9 s LYS 308 N -3.58 4.04 -0.80 0.00 3.01 -0.71 -4.67 119.74 117.03 3mw9 s LYS 308 Ca 0.04 -0.22 -0.23 0.00 -1.01 0.00 0.00 55.97 54.56 3mw9 s LYS 308 Cb -0.02 -3.36 -0.17 0.00 -1.01 0.00 0.00 37.83 33.27 3mw9 s LYS 308 CO -0.08 0.38 2.38 -0.89 0.51 0.00 0.00 175.35 177.65 3mw9 n ILE 309 N 3.25 -0.01 -2.29 2.17 2.08 -1.26 -1.97 119.36 121.33 3mw9 n ILE 309 Ca -0.17 -0.52 -0.41 0.00 0.56 0.00 0.00 62.75 62.21 3mw9 n ILE 309 Cb 0.53 -1.67 -0.03 0.00 -0.75 0.00 0.00 39.64 37.71 3mw9 n ILE 309 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 3mw9 s TYR 310 N 11.63 3.32 -0.10 1.39 6.14 -0.53 -4.96 117.35 134.25 3mw9 s TYR 310 Ca 1.02 1.45 0.01 0.00 0.64 0.00 0.00 57.07 60.19 3mw9 s TYR 310 Cb -0.31 -3.50 -0.02 0.00 0.42 0.00 0.00 41.96 38.55 3mw9 s TYR 310 CO 0.21 -1.37 -0.11 -2.00 0.64 0.00 0.00 175.55 172.91 3mw9 s GLU 311 N -0.98 3.03 0.00 4.97 2.56 -1.26 -4.26 118.70 122.76 3mw9 s GLU 311 Ca 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 54.97 54.83 3mw9 s GLU 311 Cb -0.35 -2.58 0.00 0.00 2.00 0.00 0.00 34.13 33.19 3mw9 s GLU 311 CO 0.43 0.43 0.00 0.41 -0.56 0.00 0.00 175.26 175.97 3mw9 n GLY 312 N 2.91 3.19 3.69 -1.50 0.00 -1.26 -5.04 105.19 107.18 3mw9 n GLY 312 Ca -0.18 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3mw9 n GLY 312 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mw9 s SER 313 N 0.00 6.55 0.48 1.61 0.15 -1.26 -4.85 113.70 116.38 3mw9 s SER 313 Ca 0.00 2.58 0.27 0.00 0.70 0.00 0.00 55.95 59.49 3mw9 s SER 313 Cb 0.00 -2.57 1.32 0.00 -1.71 0.00 0.00 66.02 63.07 3mw9 s SER 313 CO 0.00 -0.92 1.84 -0.29 1.20 0.00 0.00 173.24 175.07 3mw9 h ILE 314 N 4.70 0.54 0.00 6.45 6.09 -1.96 0.18 117.51 133.51 3mw9 h ILE 314 Ca -0.44 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3mw9 h ILE 314 Cb 1.21 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.84 3mw9 h ILE 314 CO 0.93 0.03 0.00 -0.07 -3.07 0.00 0.00 178.15 175.98 3mw9 h LEU 315 N 0.18 0.00 -2.85 2.19 3.38 -1.96 -2.77 115.31 113.47 3mw9 h LEU 315 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3mw9 h LEU 315 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3mw9 h LEU 315 CO -0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.80 3mw9 n GLU 316 N -2.84 2.81 -1.83 1.13 1.02 0.05 -4.62 120.64 116.36 3mw9 n GLU 316 Ca -0.00 -1.92 -0.37 0.00 -0.02 0.00 0.00 57.16 54.84 3mw9 n GLU 316 Cb 0.19 -1.22 0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3mw9 n GLU 316 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mw9 s VAL 317 N -0.99 2.21 -0.29 2.62 1.01 -1.05 -4.79 120.40 119.12 3mw9 s VAL 317 Ca 0.19 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 3mw9 s VAL 317 Cb 0.10 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3mw9 s VAL 317 CO 0.13 -0.01 1.14 -0.62 0.00 0.00 0.00 175.10 175.73 3mw9 s ASP 318 N -1.22 6.90 0.19 3.32 -1.08 -1.26 -4.62 116.67 118.90 3mw9 s ASP 318 Ca 0.76 1.19 -0.23 0.00 -0.52 0.00 0.00 52.55 53.75 3mw9 s ASP 318 Cb -0.37 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.61 3mw9 s ASP 318 CO 0.42 -0.88 0.94 0.00 0.52 0.00 0.00 175.17 176.17 3mw9 h ASP 320 N 2.00 0.16 -3.24 0.00 3.32 -1.55 -3.35 116.42 113.76 3mw9 h ASP 320 Ca -0.25 -0.89 -0.66 0.00 0.02 0.00 0.00 57.03 55.24 3mw9 h ASP 320 Cb 1.23 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 3mw9 h ASP 320 CO 0.28 1.25 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.63 3mw9 s ILE 321 N -2.32 2.71 -0.24 0.35 1.01 -0.73 -0.43 121.20 121.55 3mw9 s ILE 321 Ca -0.19 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 3mw9 s ILE 321 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3mw9 s ILE 321 CO 0.72 0.47 0.27 -0.22 0.00 0.00 0.00 174.94 176.18 3mw9 s LEU 322 N 1.38 4.09 -0.68 2.97 2.96 0.54 -1.37 118.68 128.57 3mw9 s LEU 322 Ca 0.05 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3mw9 s LEU 322 Cb -0.14 -2.28 0.17 0.00 0.50 0.00 0.00 46.19 44.45 3mw9 s LEU 322 CO -0.08 -0.05 0.51 -0.63 -1.32 0.00 0.00 176.35 174.78 3mw9 s ILE 323 N 1.48 3.92 -0.16 6.68 1.01 0.41 -0.38 121.20 134.16 3mw9 s ILE 323 Ca 0.12 -3.09 -0.29 0.00 0.00 0.00 0.00 60.65 57.39 3mw9 s ILE 323 Cb -0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3mw9 s ILE 323 CO 0.08 -0.92 1.63 -2.16 0.00 0.00 0.00 174.94 173.57 3mw9 s PRO 324 N -0.27 3.92 -0.15 2.79 0.04 -1.24 -1.65 135.00 138.45 3mw9 s PRO 324 Ca 0.19 1.85 0.21 0.00 0.04 0.00 0.00 61.00 63.29 3mw9 s PRO 324 Cb -0.18 -4.02 0.46 0.00 0.04 0.00 0.00 34.50 30.81 3mw9 s PRO 324 CO -0.05 -1.14 1.16 0.00 0.04 0.00 0.00 177.00 177.00 3mw9 n ALA 325 N 8.03 2.88 -2.00 8.56 0.00 0.12 -0.99 120.51 137.11 3mw9 n ALA 325 Ca 0.18 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.86 3mw9 n ALA 325 Cb 0.44 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3mw9 n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mw9 n ALA 326 N -0.21 0.02 -4.05 0.00 0.00 -1.14 -4.52 120.51 110.60 3mw9 n ALA 326 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 3mw9 n ALA 326 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 3mw9 n ALA 326 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mw9 n SER 327 N 0.00 2.62 -4.84 0.00 7.64 -1.26 -4.79 113.62 112.99 3mw9 n SER 327 Ca 0.00 -2.58 -0.31 0.00 1.01 0.00 0.00 58.87 56.99 3mw9 n SER 327 Cb 0.00 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.30 3mw9 n SER 327 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3mw9 s GLU 328 N -3.68 3.24 -1.40 1.43 8.01 -1.26 -4.41 118.70 120.63 3mw9 s GLU 328 Ca 0.17 0.90 -0.08 0.00 0.01 0.00 0.00 54.97 55.97 3mw9 s GLU 328 Cb -0.01 -2.03 0.04 0.00 -4.31 0.00 0.00 34.13 27.81 3mw9 s GLU 328 CO 0.11 -0.86 0.99 1.63 0.01 0.00 0.00 175.26 177.14 3mw9 n LYS 329 N -2.85 -6.24 0.04 1.61 5.02 0.57 -4.73 118.16 111.58 3mw9 n LYS 329 Ca 0.07 0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 56.96 3mw9 n LYS 329 Cb 0.54 -5.58 -0.13 0.00 -0.02 0.00 0.00 35.03 29.83 3mw9 n LYS 329 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3mw9 h GLN 330 N -2.20 0.07 -4.49 1.97 1.08 -0.81 -3.39 115.11 107.34 3mw9 h GLN 330 Ca -0.58 -0.12 -0.72 0.00 -1.45 0.00 0.00 58.65 55.78 3mw9 h GLN 330 Cb 1.37 0.04 -0.21 0.00 -0.05 0.00 0.00 27.48 28.63 3mw9 h GLN 330 CO 0.60 0.89 -0.42 -0.51 -0.95 0.00 0.00 178.83 178.44 3mw9 s LEU 331 N -6.61 5.14 0.47 1.46 1.02 -0.31 -4.96 118.68 114.89 3mw9 s LEU 331 Ca -0.03 -0.93 0.04 0.00 0.02 0.00 0.00 54.13 53.23 3mw9 s LEU 331 Cb 0.09 -2.16 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 3mw9 s LEU 331 CO 0.83 -0.46 0.01 0.42 0.02 0.00 0.00 176.35 177.17 3mw9 s THR 332 N 1.68 1.51 0.35 5.49 -4.23 -1.26 -1.25 115.64 117.94 3mw9 s THR 332 Ca 0.05 -1.99 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 3mw9 s THR 332 Cb -0.19 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.49 3mw9 s THR 332 CO 0.10 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.35 3mw9 h LYS 333 N 1.52 0.32 0.43 3.99 3.64 -1.87 -1.44 116.57 123.16 3mw9 h LYS 333 Ca -0.44 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3mw9 h LYS 333 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3mw9 h LYS 333 CO 0.77 0.21 -0.21 0.77 -2.27 0.00 0.00 179.45 178.72 3mw9 h SER 334 N 0.33 -0.49 0.25 4.20 0.02 -1.95 -3.32 113.55 112.59 3mw9 h SER 334 Ca 0.72 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3mw9 h SER 334 Cb 1.70 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3mw9 h SER 334 CO -0.55 -0.19 -0.66 -0.46 -1.14 0.00 0.00 176.83 173.83 3mw9 n ASN 335 N -5.26 0.85 -0.25 3.07 6.94 -1.14 -4.28 115.26 115.19 3mw9 n ASN 335 Ca -0.11 -0.68 0.07 0.00 -0.02 0.00 0.00 54.58 53.84 3mw9 n ASN 335 Cb 0.29 0.54 0.32 0.00 -2.36 0.00 0.00 39.78 38.56 3mw9 n ASN 335 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mw9 h ALA 336 N 3.13 1.67 0.00 -2.53 0.00 -1.36 -2.26 119.26 117.91 3mw9 h ALA 336 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mw9 h ALA 336 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mw9 h ALA 336 CO 0.00 0.18 0.00 -2.30 0.00 0.00 0.00 179.25 177.13 3mw9 n PRO 337 N -4.51 0.12 -1.98 0.00 -0.02 -1.26 -3.35 135.00 124.00 3mw9 n PRO 337 Ca 0.14 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3mw9 n PRO 337 Cb 0.28 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.32 3mw9 n PRO 337 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3mw9 n ARG 338 N -1.39 1.66 0.07 -0.52 1.85 -0.85 -4.83 116.66 112.65 3mw9 n ARG 338 Ca 0.06 -3.22 -0.10 0.00 -1.00 0.00 0.00 57.85 53.59 3mw9 n ARG 338 Cb 0.16 -1.33 -0.13 0.00 -1.05 0.00 0.00 32.46 30.11 3mw9 n ARG 338 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 3mw9 h VAL 339 N 4.57 1.65 0.00 8.89 -1.51 -1.58 -3.42 116.25 124.85 3mw9 h VAL 339 Ca -0.03 -3.32 0.00 0.00 -1.23 0.00 0.00 66.70 62.12 3mw9 h VAL 339 Cb 1.45 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 33.49 3mw9 h VAL 339 CO 0.26 0.95 0.00 2.29 -1.23 0.00 0.00 177.57 179.84 3mw9 n LYS 340 N -3.40 -0.84 -2.93 5.19 2.85 -1.26 -4.43 118.16 113.34 3mw9 n LYS 340 Ca -0.03 0.20 -0.28 0.00 -1.05 0.00 0.00 58.31 57.16 3mw9 n LYS 340 Cb 0.97 -4.62 -0.02 0.00 -0.65 0.00 0.00 35.03 30.70 3mw9 n LYS 340 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3mw9 s ALA 341 N -0.97 3.46 -0.12 0.58 0.00 -1.26 -4.48 121.76 118.97 3mw9 s ALA 341 Ca 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 51.96 51.66 3mw9 s ALA 341 Cb 0.00 -2.52 -0.23 0.00 0.00 0.00 0.00 23.12 20.37 3mw9 s ALA 341 CO 0.00 -0.08 0.41 1.63 0.00 0.00 0.00 175.76 177.72 3mw9 n LYS 342 N -1.63 0.66 -3.91 0.00 4.76 0.43 -4.85 118.16 113.62 3mw9 n LYS 342 Ca 0.00 0.12 -0.27 0.00 -2.87 0.00 0.00 58.31 55.29 3mw9 n LYS 342 Cb 0.55 -1.66 -0.17 0.00 -1.84 0.00 0.00 35.03 31.91 3mw9 n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3mw9 s ILE 343 N -2.66 1.06 -0.38 -0.18 1.01 -0.36 -1.68 121.20 118.02 3mw9 s ILE 343 Ca -0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3mw9 s ILE 343 Cb 0.08 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3mw9 s ILE 343 CO 0.83 0.36 0.30 -0.63 0.00 0.00 0.00 174.94 175.80 3mw9 s ILE 344 N 1.69 5.24 -0.50 2.92 1.01 0.43 -0.34 121.20 131.64 3mw9 s ILE 344 Ca 0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 3mw9 s ILE 344 Cb -0.13 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.61 3mw9 s ILE 344 CO -0.08 -0.18 0.43 0.00 0.00 0.00 0.00 174.94 175.11 3mw9 s ALA 345 N 1.80 3.56 -0.78 9.38 0.00 0.49 -1.34 121.76 134.87 3mw9 s ALA 345 Ca 0.07 -2.41 -0.25 0.00 0.00 0.00 0.00 51.96 49.37 3mw9 s ALA 345 Cb -0.18 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3mw9 s ALA 345 CO 0.11 -1.90 1.75 -1.21 0.00 0.00 0.00 175.76 174.51 3mw9 s GLU 346 N 1.56 2.81 -0.03 0.00 2.02 -1.00 -3.73 118.70 120.34 3mw9 s GLU 346 Ca 0.04 -0.03 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 3mw9 s GLU 346 Cb -0.27 -4.70 -0.20 0.00 0.10 0.00 0.00 34.13 29.05 3mw9 s GLU 346 CO 0.03 -2.79 1.24 0.78 0.02 0.00 0.00 175.26 174.54 3mw9 h GLY 347 N 15.93 0.03 -1.15 -1.39 0.00 -1.80 -3.36 103.07 111.32 3mw9 h GLY 347 Ca -0.09 -0.03 -0.47 0.00 0.00 0.00 0.00 47.33 46.73 3mw9 h GLY 347 CO 1.25 0.03 0.14 0.00 0.00 0.00 0.00 176.54 177.96 3mw9 s ALA 348 N -4.10 0.65 -0.27 3.60 0.00 -0.16 -4.58 121.76 116.89 3mw9 s ALA 348 Ca -0.16 0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.69 3mw9 s ALA 348 Cb 0.02 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3mw9 s ALA 348 CO 0.68 -3.12 0.70 -0.80 0.00 0.00 0.00 175.76 173.22 3mw9 s ASN 349 N -2.81 6.63 -0.94 0.00 0.01 -1.26 -4.48 114.94 112.09 3mw9 s ASN 349 Ca 0.67 0.70 -0.04 0.00 -0.71 0.00 0.00 52.86 53.48 3mw9 s ASN 349 Cb -0.22 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3mw9 s ASN 349 CO 0.60 -0.48 0.81 0.61 -1.51 0.00 0.00 177.10 177.14 3mw9 n GLY 350 N 4.14 -0.14 0.25 0.66 0.00 -1.26 -4.07 105.19 104.77 3mw9 n GLY 350 Ca 0.01 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3mw9 n GLY 350 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mw9 h PRO 351 N -1.75 0.00 -5.57 1.61 0.13 -1.78 0.16 132.00 124.80 3mw9 h PRO 351 Ca -0.42 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 3mw9 h PRO 351 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.07 3mw9 h PRO 351 CO 0.39 0.01 -0.88 0.95 -0.23 0.00 0.00 178.00 178.24 3mw9 s THR 352 N -3.45 1.99 0.74 1.56 -4.23 -1.26 -0.21 115.64 110.78 3mw9 s THR 352 Ca 0.04 -1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 3mw9 s THR 352 Cb 0.07 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.24 3mw9 s THR 352 CO 0.60 0.55 1.08 0.42 -0.54 0.00 0.00 174.62 176.73 3mw9 s THR 353 N 0.14 3.64 0.22 3.99 -4.23 -0.38 -4.88 115.64 114.14 3mw9 s THR 353 Ca -0.12 0.53 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 3mw9 s THR 353 Cb -0.16 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.70 3mw9 s THR 353 CO 0.06 -0.69 1.88 1.55 -0.54 0.00 0.00 174.62 176.88 3mw9 h PRO 354 N -0.94 1.01 -0.03 3.99 0.13 -1.92 -1.84 132.00 132.40 3mw9 h PRO 354 Ca -0.44 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3mw9 h PRO 354 Cb 1.22 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3mw9 h PRO 354 CO 0.55 0.67 0.02 1.49 -0.23 0.00 0.00 178.00 180.50 3mw9 h GLU 355 N 1.04 0.00 0.00 0.86 4.57 -1.94 -0.47 114.58 118.64 3mw9 h GLU 355 Ca 0.30 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.41 3mw9 h GLU 355 Cb -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3mw9 h GLU 355 CO -0.09 0.00 -0.44 0.00 -1.18 0.00 0.00 179.01 177.30 3mw9 h ALA 356 N 1.98 0.75 -0.27 2.92 0.00 -1.70 -3.15 119.26 119.79 3mw9 h ALA 356 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3mw9 h ALA 356 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mw9 h ALA 356 CO -0.00 0.45 0.01 -0.44 0.00 0.00 0.00 179.25 179.28 3mw9 h ASP 357 N 0.00 0.45 -0.29 0.00 3.32 -0.28 -2.10 116.42 117.53 3mw9 h ASP 357 Ca -0.01 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.81 3mw9 h ASP 357 Cb 1.28 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 3mw9 h ASP 357 CO 0.04 0.63 -0.24 0.11 -1.72 0.00 0.00 179.24 178.07 3mw9 h LYS 358 N 0.25 -0.22 -0.08 3.56 1.57 -1.51 -0.76 116.57 119.39 3mw9 h LYS 358 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3mw9 h LYS 358 Cb 0.39 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3mw9 h LYS 358 CO 0.01 -0.14 -0.22 0.82 -0.57 0.00 0.00 179.45 179.35 3mw9 h ILE 359 N -0.22 0.47 -0.83 1.86 1.08 -1.49 -2.18 117.51 116.18 3mw9 h ILE 359 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 3mw9 h ILE 359 Cb 0.46 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 3mw9 h ILE 359 CO -0.42 0.00 0.55 -0.26 -0.69 0.00 0.00 178.15 177.33 3mw9 h PHE 360 N -0.31 1.01 -0.18 1.37 0.05 -1.02 -0.67 116.94 117.19 3mw9 h PHE 360 Ca 0.09 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.91 3mw9 h PHE 360 Cb 0.43 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.03 3mw9 h PHE 360 CO -0.30 0.60 0.08 -0.07 -0.18 0.00 0.00 178.31 178.43 3mw9 h LEU 361 N 1.05 0.11 0.95 1.54 3.38 -0.63 0.77 115.31 122.48 3mw9 h LEU 361 Ca 0.33 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 3mw9 h LEU 361 Cb -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3mw9 h LEU 361 CO -0.09 0.09 -0.48 -0.33 0.09 0.00 0.00 178.44 177.72 3mw9 h GLU 362 N 0.18 -1.26 -0.03 1.13 5.08 -0.76 -2.43 114.58 116.50 3mw9 h GLU 362 Ca 0.08 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3mw9 h GLU 362 Cb 0.03 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3mw9 h GLU 362 CO -0.06 -0.84 0.00 0.54 -1.00 0.00 0.00 179.01 177.65 3mw9 n ARG 363 N -5.66 0.05 -4.15 2.33 1.74 -0.33 -4.76 116.66 105.88 3mw9 n ARG 363 Ca -0.16 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.60 3mw9 n ARG 363 Cb 0.52 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.90 3mw9 n ARG 363 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mw9 n ASN 364 N 0.05 -0.46 -4.69 0.55 5.03 -0.91 -4.97 115.26 109.86 3mw9 n ASN 364 Ca 0.00 -1.19 -0.35 0.00 0.87 0.00 0.00 54.58 53.91 3mw9 n ASN 364 Cb 0.01 -2.10 -0.09 0.00 -1.02 0.00 0.00 39.78 36.57 3mw9 n ASN 364 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3mw9 s ILE 365 N -4.10 4.35 -0.25 2.41 1.01 0.24 -4.79 121.20 120.08 3mw9 s ILE 365 Ca 0.10 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 3mw9 s ILE 365 Cb -0.05 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3mw9 s ILE 365 CO 0.96 0.60 0.44 -0.32 0.00 0.00 0.00 174.94 176.62 3mw9 s MET 366 N -0.91 4.08 -0.43 2.79 -2.45 -0.67 -4.44 119.30 117.27 3mw9 s MET 366 Ca 0.14 0.20 -0.10 0.00 -1.25 0.00 0.00 55.69 54.68 3mw9 s MET 366 Cb -0.11 -3.62 0.08 0.00 1.25 0.00 0.00 34.83 32.42 3mw9 s MET 366 CO 0.03 -0.24 0.28 0.08 1.05 0.00 0.00 175.02 176.21 3mw9 s VAL 367 N 1.96 4.41 -0.59 10.11 1.01 -1.26 -0.43 120.40 135.61 3mw9 s VAL 367 Ca 0.19 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 3mw9 s VAL 367 Cb -0.15 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3mw9 s VAL 367 CO 0.09 -0.51 1.30 -0.63 0.00 0.00 0.00 175.10 175.36 3mw9 s ILE 368 N 1.47 3.88 0.57 2.22 1.01 -0.45 -4.44 121.20 125.45 3mw9 s ILE 368 Ca 0.03 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.24 3mw9 s ILE 368 Cb -0.23 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.58 3mw9 s ILE 368 CO 0.03 -1.31 1.15 -2.16 0.00 0.00 0.00 174.94 172.65 3mw9 s PRO 369 N 5.28 3.20 0.15 2.79 0.04 -1.26 -2.37 135.00 142.83 3mw9 s PRO 369 Ca 0.46 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 3mw9 s PRO 369 Cb -0.09 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.51 3mw9 s PRO 369 CO 0.24 -0.99 1.66 0.38 0.04 0.00 0.00 177.00 178.34 3mw9 h ASP 370 N 1.03 -0.45 -0.43 6.66 3.04 -1.84 0.16 116.42 124.59 3mw9 h ASP 370 Ca -0.50 0.11 0.06 0.00 -3.24 0.00 0.00 57.03 53.46 3mw9 h ASP 370 Cb 1.27 0.25 -0.07 0.00 -1.04 0.00 0.00 39.33 39.74 3mw9 h ASP 370 CO 0.56 -0.17 -0.17 0.18 -2.04 0.00 0.00 179.24 177.60 3mw9 n LEU 371 N -5.30 -0.29 -0.10 0.15 4.77 -1.26 -2.31 117.00 112.65 3mw9 n LEU 371 Ca -0.00 0.75 -0.21 0.00 -0.03 0.00 0.00 56.01 56.52 3mw9 n LEU 371 Cb 0.22 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 3mw9 n LEU 371 CO 0.18 -0.67 -0.57 0.00 -1.33 0.00 0.00 177.39 175.00 3mw9 n TYR 372 N -4.63 0.95 -0.15 -1.77 9.36 -0.77 -4.49 117.16 115.66 3mw9 n TYR 372 Ca 0.04 0.41 -0.10 0.00 3.32 0.00 0.00 57.90 61.58 3mw9 n TYR 372 Cb 0.17 -1.07 0.04 0.00 -0.63 0.00 0.00 39.34 37.85 3mw9 n TYR 372 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3mw9 h LEU 373 N -1.00 0.96 -2.63 2.98 7.12 -0.36 -3.04 115.31 119.34 3mw9 h LEU 373 Ca -0.34 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.33 3mw9 h LEU 373 Cb 1.26 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 3mw9 h LEU 373 CO -0.21 1.11 0.00 -0.46 -0.13 0.00 0.00 178.44 178.75 3mw9 n ASN 374 N -4.13 3.95 0.05 1.25 0.23 -0.98 -3.79 115.26 111.84 3mw9 n ASN 374 Ca 0.01 -2.23 0.10 0.00 -0.53 0.00 0.00 54.58 51.94 3mw9 n ASN 374 Cb 0.43 -0.50 0.43 0.00 -2.08 0.00 0.00 39.78 38.06 3mw9 n ASN 374 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mw9 n ALA 375 N 1.17 1.87 0.28 -2.53 0.00 -1.15 -3.06 120.51 117.09 3mw9 n ALA 375 Ca 0.23 -0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.83 3mw9 n ALA 375 Cb 0.70 -1.35 0.96 0.00 0.00 0.00 0.00 19.45 19.76 3mw9 n ALA 375 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mw9 h GLY 376 N 3.15 0.00 0.99 0.00 0.00 -1.82 -1.25 103.07 104.15 3mw9 h GLY 376 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3mw9 h GLY 376 CO 0.00 0.00 -0.41 -1.33 0.00 0.00 0.00 176.54 174.80 3mw9 h GLY 377 N 0.00 -1.21 0.98 4.60 0.00 -1.74 -2.22 103.07 103.48 3mw9 h GLY 377 Ca 0.03 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 3mw9 h GLY 377 CO -0.00 -0.44 0.23 -2.08 0.00 0.00 0.00 176.54 174.25 3mw9 h VAL 378 N -1.18 1.12 -0.84 4.60 2.07 -1.63 -2.08 116.25 118.31 3mw9 h VAL 378 Ca -0.12 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.30 3mw9 h VAL 378 Cb 0.89 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 3mw9 h VAL 378 CO 0.19 0.12 0.39 0.74 0.02 0.00 0.00 177.57 179.03 3mw9 h THR 379 N 0.50 0.63 0.00 2.57 2.02 -1.24 0.32 112.91 117.72 3mw9 h THR 379 Ca 0.14 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3mw9 h THR 379 Cb -0.01 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3mw9 h THR 379 CO -0.03 0.09 -0.75 0.58 0.37 0.00 0.00 175.52 175.79 3mw9 h VAL 380 N 0.51 0.63 0.18 3.16 2.07 -1.15 -2.54 116.25 119.11 3mw9 h VAL 380 Ca 0.48 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3mw9 h VAL 380 Cb 0.76 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3mw9 h VAL 380 CO -0.42 0.36 -0.09 0.28 0.02 0.00 0.00 177.57 177.72 3mw9 h SER 381 N 0.00 -0.20 -1.00 0.57 0.02 -0.40 -1.87 113.55 110.67 3mw9 h SER 381 Ca -0.05 -0.17 0.19 0.00 -0.84 0.00 0.00 61.79 60.93 3mw9 h SER 381 Cb 1.38 0.05 -0.18 0.00 0.14 0.00 0.00 62.40 63.79 3mw9 h SER 381 CO 0.05 0.06 -0.27 0.00 -1.14 0.00 0.00 176.83 175.52 3mw9 n TYR 382 N -5.09 0.30 -0.03 3.45 9.36 0.98 -0.68 117.16 125.45 3mw9 n TYR 382 Ca -0.09 1.22 -0.02 0.00 3.32 0.00 0.00 57.90 62.34 3mw9 n TYR 382 Cb 0.20 -1.04 0.25 0.00 -0.63 0.00 0.00 39.34 38.11 3mw9 n TYR 382 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3mw9 h PHE 383 N 0.00 0.63 -0.44 2.98 0.04 -1.20 -1.19 116.94 117.75 3mw9 h PHE 383 Ca 0.46 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 61.11 3mw9 h PHE 383 Cb 0.71 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 3mw9 h PHE 383 CO -0.79 0.62 0.13 1.49 -0.60 0.00 0.00 178.31 179.16 3mw9 h GLU 384 N 0.56 0.69 0.27 1.51 4.81 -0.20 -0.01 114.58 122.22 3mw9 h GLU 384 Ca 0.11 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3mw9 h GLU 384 Cb 0.40 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3mw9 h GLU 384 CO 0.02 0.68 -0.13 2.35 -0.73 0.00 0.00 179.01 181.19 3mw9 h TRP 385 N 0.58 -0.34 -0.45 0.92 7.01 -0.57 -0.30 115.95 122.79 3mw9 h TRP 385 Ca 0.14 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.23 3mw9 h TRP 385 Cb 0.28 0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 27.36 3mw9 h TRP 385 CO 0.01 -0.17 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.24 3mw9 h LEU 386 N -0.42 -0.65 -0.74 0.65 4.07 -1.15 0.14 115.31 117.20 3mw9 h LEU 386 Ca -0.04 0.16 0.16 0.00 0.08 0.00 0.00 57.88 58.25 3mw9 h LEU 386 Cb 0.32 0.37 -0.11 0.00 1.08 0.00 0.00 40.66 42.32 3mw9 h LEU 386 CO 0.06 -0.22 0.17 -1.13 -1.08 0.00 0.00 178.44 176.25 3mw9 h ASN 387 N -0.09 -0.00 -0.35 -0.43 -0.00 -0.62 -0.69 115.58 113.41 3mw9 h ASN 387 Ca 0.22 0.15 -0.07 0.00 -0.00 0.00 0.00 56.30 56.60 3mw9 h ASN 387 Cb 0.43 0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.94 3mw9 h ASN 387 CO -0.52 -0.05 -0.04 0.78 -0.00 0.00 0.00 177.43 177.60 3mw9 h ASN 388 N 0.26 0.64 -0.47 1.15 2.35 0.97 -2.62 115.58 117.86 3mw9 h ASN 388 Ca 0.42 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3mw9 h ASN 388 Cb 0.73 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3mw9 h ASN 388 CO -0.52 0.82 0.31 -0.07 -1.65 0.00 0.00 177.43 176.32 3mw9 h LEU 389 N 0.44 0.48 -0.30 1.61 3.38 -0.48 -3.15 115.31 117.29 3mw9 h LEU 389 Ca 0.09 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3mw9 h LEU 389 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3mw9 h LEU 389 CO 0.03 0.34 -0.66 0.78 0.09 0.00 0.00 178.44 179.01 3mw9 h ASN 390 N 0.56 0.00 -0.42 -0.43 2.35 -0.98 -3.48 115.58 113.18 3mw9 h ASN 390 Ca 0.18 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 3mw9 h ASN 390 Cb 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 3mw9 h ASN 390 CO -0.04 0.66 -0.16 1.41 -1.65 0.00 0.00 177.43 177.65 3mw9 n HIS 391 N -3.41 0.00 -4.19 1.19 8.25 -1.00 -4.98 115.22 111.08 3mw9 n HIS 391 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 3mw9 n HIS 391 Cb 0.74 -2.35 -0.11 0.00 1.12 0.00 0.00 29.99 29.39 3mw9 n HIS 391 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3mw9 s VAL 392 N -1.90 1.09 0.06 1.59 -7.23 -1.26 -5.12 120.40 107.63 3mw9 s VAL 392 Ca 0.00 -1.54 -0.31 0.00 -1.81 0.00 0.00 61.98 58.33 3mw9 s VAL 392 Cb 0.00 -1.29 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 3mw9 s VAL 392 CO 0.00 -0.41 1.20 -0.94 -0.31 0.00 0.00 175.10 174.65 3mw9 s SER 393 N -2.19 7.07 0.03 4.85 1.04 -1.26 -4.94 113.70 118.29 3mw9 s SER 393 Ca 0.03 2.03 -0.38 0.00 0.48 0.00 0.00 55.95 58.12 3mw9 s SER 393 Cb -0.06 -2.58 -0.17 0.00 0.10 0.00 0.00 66.02 63.31 3mw9 s SER 393 CO 0.02 -0.47 1.35 0.00 0.98 0.00 0.00 173.24 175.11 3mw9 n TYR 394 N 3.91 1.46 -0.17 5.02 9.36 -1.26 -2.04 117.16 133.44 3mw9 n TYR 394 Ca 0.09 0.69 0.00 0.00 3.32 0.00 0.00 57.90 62.00 3mw9 n TYR 394 Cb 0.46 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 3mw9 n TYR 394 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3mw9 n GLY 395 N 2.57 1.78 0.24 2.98 0.00 -1.26 -4.15 105.19 107.35 3mw9 n GLY 395 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3mw9 n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mw9 h ARG 396 N 2.86 0.00 0.00 1.61 2.43 -1.77 0.00 114.38 119.51 3mw9 h ARG 396 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 3mw9 h ARG 396 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3mw9 h ARG 396 CO 0.00 0.18 -0.80 -0.07 -1.51 0.00 0.00 179.97 177.77 3mw9 h LEU 397 N 0.00 0.00 -0.51 3.80 3.38 -1.91 -3.40 115.31 116.68 3mw9 h LEU 397 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mw9 h LEU 397 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mw9 h LEU 397 CO 0.02 0.60 -0.14 0.35 0.09 0.00 0.00 178.44 179.37 3mw9 n THR 398 N -3.17 0.00 -0.11 0.22 -2.24 -0.77 -4.75 114.28 103.47 3mw9 n THR 398 Ca -0.01 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 3mw9 n THR 398 Cb 0.79 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 70.08 3mw9 n THR 398 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3mw9 h PHE 399 N 0.46 -0.51 -0.05 4.78 0.05 -1.21 -0.76 116.94 119.70 3mw9 h PHE 399 Ca 0.00 0.05 -0.21 0.00 3.82 0.00 0.00 57.97 61.63 3mw9 h PHE 399 Cb 0.17 0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.40 3mw9 h PHE 399 CO 0.00 -0.28 -0.84 -0.22 -0.18 0.00 0.00 178.31 176.79 3mw9 h LYS 400 N -0.13 0.44 -0.35 1.51 3.64 -1.86 -2.16 116.57 117.65 3mw9 h LYS 400 Ca 0.19 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 3mw9 h LYS 400 Cb 0.43 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3mw9 h LYS 400 CO -0.48 1.06 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.82 3mw9 h TYR 401 N 0.27 0.69 -0.40 1.91 3.20 -1.82 -2.01 116.97 118.82 3mw9 h TYR 401 Ca -0.06 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 3mw9 h TYR 401 Cb 1.45 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3mw9 h TYR 401 CO 0.05 0.75 -0.16 0.93 -1.64 0.00 0.00 178.16 178.09 3mw9 h GLU 402 N 0.43 0.74 0.87 1.82 4.39 -1.13 0.15 114.58 121.85 3mw9 h GLU 402 Ca 0.10 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3mw9 h GLU 402 Cb 0.49 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3mw9 h GLU 402 CO 0.02 0.86 -0.42 -0.09 -1.16 0.00 0.00 179.01 178.22 3mw9 h ARG 403 N 0.66 -1.13 -0.37 2.33 2.43 -1.33 -0.87 114.38 116.11 3mw9 h ARG 403 Ca 0.10 0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.43 3mw9 h ARG 403 Cb 0.65 0.26 -0.08 0.00 -0.42 0.00 0.00 29.97 30.37 3mw9 h ARG 403 CO 0.05 -0.75 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.09 3mw9 h ASP 404 N -1.28 -0.76 -0.55 -3.80 3.32 -1.33 -1.34 116.42 110.68 3mw9 h ASP 404 Ca -0.12 0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.20 3mw9 h ASP 404 Cb 0.90 0.39 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 3mw9 h ASP 404 CO 0.20 -0.26 -0.24 -1.28 -1.72 0.00 0.00 179.24 175.94 3mw9 h SER 405 N -0.17 -0.84 -0.44 6.45 0.87 -0.65 -1.45 113.55 117.31 3mw9 h SER 405 Ca 0.18 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 3mw9 h SER 405 Cb 0.45 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3mw9 h SER 405 CO -0.47 -0.26 0.20 0.78 -0.53 0.00 0.00 176.83 176.54 3mw9 h ASN 406 N -0.11 0.63 0.04 6.23 -0.26 -0.10 0.51 115.58 122.52 3mw9 h ASN 406 Ca 0.25 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3mw9 h ASN 406 Cb 0.50 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3mw9 h ASN 406 CO -0.62 0.57 -0.02 1.88 -1.06 0.00 0.00 177.43 178.19 3mw9 h TYR 407 N 0.69 -0.04 -0.74 1.19 -1.99 -0.47 -1.66 116.97 113.95 3mw9 h TYR 407 Ca 0.17 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.00 3mw9 h TYR 407 Cb 0.14 0.01 -0.05 0.00 2.00 0.00 0.00 36.73 38.83 3mw9 h TYR 407 CO 0.01 0.38 0.49 0.45 -0.00 0.00 0.00 178.16 179.48 3mw9 h HIS 408 N -0.48 0.65 -0.13 4.88 3.86 -1.10 0.46 115.15 123.30 3mw9 h HIS 408 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3mw9 h HIS 408 Cb 0.44 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3mw9 h HIS 408 CO 0.07 0.30 0.05 1.25 0.86 0.00 0.00 177.93 180.45 3mw9 h LEU 409 N 0.60 0.18 -0.68 2.43 6.46 -0.85 -2.38 115.31 121.08 3mw9 h LEU 409 Ca 0.35 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3mw9 h LEU 409 Cb 0.53 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 3mw9 h LEU 409 CO -0.12 0.32 0.43 -0.07 -0.62 0.00 0.00 178.44 178.38 3mw9 h LEU 410 N 0.04 0.79 -0.90 2.25 4.07 -0.03 -1.76 115.31 119.77 3mw9 h LEU 410 Ca 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3mw9 h LEU 410 Cb 0.20 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3mw9 h LEU 410 CO -0.00 0.60 0.00 0.80 -1.08 0.00 0.00 178.44 178.75 3mw9 n MET 411 N -4.59 0.15 0.04 1.13 1.56 0.14 -2.25 117.12 113.30 3mw9 n MET 411 Ca 0.06 0.50 -0.20 0.00 -0.27 0.00 0.00 57.70 57.79 3mw9 n MET 411 Cb 0.03 -1.86 -0.12 0.00 2.15 0.00 0.00 33.22 33.42 3mw9 n MET 411 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 3mw9 h SER 412 N 0.00 0.65 1.01 6.12 0.02 -0.77 -2.00 113.55 118.57 3mw9 h SER 412 Ca 0.00 -0.82 -0.14 0.00 -0.84 0.00 0.00 61.79 59.99 3mw9 h SER 412 Cb 0.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3mw9 h SER 412 CO 0.00 1.39 -0.67 -0.37 -1.14 0.00 0.00 176.83 176.04 3mw9 h VAL 413 N -0.01 1.29 0.28 2.27 -1.51 -1.49 -1.20 116.25 115.88 3mw9 h VAL 413 Ca -0.12 -2.48 -0.01 0.00 -1.23 0.00 0.00 66.70 62.85 3mw9 h VAL 413 Cb 1.58 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 33.15 3mw9 h VAL 413 CO 0.17 0.66 -0.16 -0.61 -1.23 0.00 0.00 177.57 176.40 3mw9 h GLN 414 N 0.00 -0.39 -0.97 5.19 4.15 -1.48 -1.80 115.11 119.81 3mw9 h GLN 414 Ca -0.01 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.56 3mw9 h GLN 414 Cb 1.36 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 29.05 3mw9 h GLN 414 CO 0.09 -0.26 0.59 0.93 -1.93 0.00 0.00 178.83 178.25 3mw9 h GLU 415 N -0.41 0.90 -0.49 1.69 5.08 -1.40 0.25 114.58 120.21 3mw9 h GLU 415 Ca -0.04 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3mw9 h GLU 415 Cb 0.32 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 3mw9 h GLU 415 CO 0.05 0.60 0.02 0.77 -1.00 0.00 0.00 179.01 179.44 3mw9 h SER 416 N 0.93 -0.17 -0.25 1.42 0.02 -1.23 -1.80 113.55 112.48 3mw9 h SER 416 Ca 0.49 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.46 3mw9 h SER 416 Cb 0.50 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3mw9 h SER 416 CO -0.28 -0.05 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.11 3mw9 h LEU 417 N 0.13 0.59 -2.15 5.07 3.38 0.30 -2.58 115.31 120.05 3mw9 h LEU 417 Ca 0.25 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3mw9 h LEU 417 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3mw9 h LEU 417 CO -0.39 0.91 -0.05 -0.33 0.09 0.00 0.00 178.44 178.66 3mw9 h GLU 418 N 0.27 0.00 -0.12 1.13 5.08 -0.84 -1.90 114.58 118.20 3mw9 h GLU 418 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3mw9 h GLU 418 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3mw9 h GLU 418 CO 0.05 0.05 -0.05 -0.09 -1.00 0.00 0.00 179.01 177.98 3mw9 h ARG 419 N 0.00 0.25 -0.08 2.33 2.43 -0.93 -2.16 114.38 116.22 3mw9 h ARG 419 Ca -0.00 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 3mw9 h ARG 419 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3mw9 h ARG 419 CO 0.01 0.57 -0.24 0.87 -1.51 0.00 0.00 179.97 179.67 3mw9 h LYS 420 N -0.08 0.31 -1.95 0.20 1.79 -1.33 -3.31 116.57 112.20 3mw9 h LYS 420 Ca 0.03 -0.22 -0.74 0.00 -2.18 0.00 0.00 60.65 57.54 3mw9 h LYS 420 Cb 0.49 0.04 -0.30 0.00 -1.58 0.00 0.00 32.23 30.87 3mw9 h LYS 420 CO 0.02 0.84 0.71 1.19 -1.08 0.00 0.00 179.45 181.12 3mw9 n PHE 421 N -4.50 3.06 -0.71 -1.35 0.99 -0.74 -5.04 117.46 109.18 3mw9 n PHE 421 Ca -0.08 -2.53 -0.31 0.00 -0.00 0.00 0.00 57.45 54.54 3mw9 n PHE 421 Cb 0.44 -0.98 0.14 0.00 -1.00 0.00 0.00 39.48 38.08 3mw9 n PHE 421 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mw9 n GLY 422 N -0.47 -2.59 2.76 1.37 0.00 -0.81 -3.98 105.19 101.47 3mw9 n GLY 422 Ca 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3mw9 n GLY 422 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mw9 n LYS 423 N -1.10 0.00 0.00 1.61 4.01 -1.26 -3.55 118.16 117.87 3mw9 n LYS 423 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 3mw9 n LYS 423 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 3mw9 n LYS 423 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3mw9 n HIS 424 N 5.53 0.00 -0.29 2.13 8.25 -1.26 0.18 115.22 129.75 3mw9 n HIS 424 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 3mw9 n HIS 424 Cb 0.00 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.37 3mw9 n HIS 424 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3mw9 h GLY 425 N 0.00 1.40 0.00 -1.41 0.00 -1.69 -3.48 103.07 97.90 3mw9 h GLY 425 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3mw9 h GLY 425 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.96 3mw9 n GLY 426 N -1.34 -1.49 3.75 4.60 0.00 0.47 -4.94 105.19 106.25 3mw9 n GLY 426 Ca 0.19 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3mw9 n GLY 426 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mw9 s THR 427 N 0.00 2.95 -0.73 2.61 2.01 -1.26 -4.82 115.64 116.41 3mw9 s THR 427 Ca 0.00 0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.89 3mw9 s THR 427 Cb 0.00 -3.54 0.24 0.00 0.01 0.00 0.00 72.50 69.20 3mw9 s THR 427 CO 0.00 0.16 0.77 -0.38 -0.69 0.00 0.00 174.62 174.49 3mw9 n ILE 428 N 1.82 2.59 -1.68 1.82 5.41 -1.26 -5.07 119.36 122.99 3mw9 n ILE 428 Ca 0.04 -5.22 -0.43 0.00 1.00 0.00 0.00 62.75 58.14 3mw9 n ILE 428 Cb 0.42 -2.14 -0.03 0.00 -0.71 0.00 0.00 39.64 37.17 3mw9 n ILE 428 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3mw9 n PRO 429 N 1.27 2.70 -3.84 0.38 -0.04 -1.26 -4.78 135.00 129.43 3mw9 n PRO 429 Ca 0.27 0.98 -0.36 0.00 -0.04 0.00 0.00 63.50 64.35 3mw9 n PRO 429 Cb 0.38 -2.88 -0.12 0.00 -0.04 0.00 0.00 33.50 30.84 3mw9 n PRO 429 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mw9 s ILE 430 N 3.31 4.36 0.01 0.52 -1.09 -1.26 -5.09 121.20 121.96 3mw9 s ILE 430 Ca 0.85 -0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 59.07 3mw9 s ILE 430 Cb -0.51 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 3mw9 s ILE 430 CO 0.41 0.37 0.06 -0.69 -1.23 0.00 0.00 174.94 173.85 3mw9 s VAL 431 N 1.35 0.09 0.31 2.92 1.01 -1.26 -4.78 120.40 120.04 3mw9 s VAL 431 Ca 0.05 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3mw9 s VAL 431 Cb -0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 3mw9 s VAL 431 CO 0.03 -0.40 1.22 -2.84 0.00 0.00 0.00 175.10 173.11 3mw9 s PRO 432 N -1.31 4.47 0.96 2.72 0.02 -1.26 -5.03 135.00 135.57 3mw9 s PRO 432 Ca -0.14 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 3mw9 s PRO 432 Cb -0.08 -3.12 0.17 0.00 0.02 0.00 0.00 34.50 31.49 3mw9 s PRO 432 CO 0.00 -0.03 1.10 0.95 -0.33 0.00 0.00 177.00 178.69 3mw9 s THR 433 N -1.15 2.31 0.22 0.99 -4.23 -1.26 -4.75 115.64 107.77 3mw9 s THR 433 Ca 0.47 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 3mw9 s THR 433 Cb -0.37 -2.28 0.19 0.00 1.34 0.00 0.00 72.50 71.39 3mw9 s THR 433 CO 0.48 -0.13 1.69 0.00 -0.54 0.00 0.00 174.62 176.13 3mw9 h ALA 434 N -1.94 0.77 -0.21 3.99 0.00 -2.00 -0.05 119.26 119.82 3mw9 h ALA 434 Ca -0.50 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3mw9 h ALA 434 Cb 1.29 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3mw9 h ALA 434 CO 0.48 -0.32 0.11 0.93 0.00 0.00 0.00 179.25 180.44 3mw9 h GLU 435 N 0.25 0.30 -0.04 0.00 3.07 -2.01 -3.06 114.58 113.09 3mw9 h GLU 435 Ca 0.35 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 3mw9 h GLU 435 Cb 0.54 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3mw9 h GLU 435 CO -0.45 0.31 -0.52 0.35 -1.40 0.00 0.00 179.01 177.30 3mw9 h PHE 436 N 0.22 0.12 -0.70 4.33 3.57 -1.81 -2.62 116.94 120.05 3mw9 h PHE 436 Ca 0.07 -0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.70 3mw9 h PHE 436 Cb 0.10 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3mw9 h PHE 436 CO -0.03 0.59 0.48 1.96 -2.23 0.00 0.00 178.31 179.08 3mw9 h GLN 437 N 0.08 0.22 0.00 1.11 1.08 -0.91 0.27 115.11 116.96 3mw9 h GLN 437 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3mw9 h GLN 437 Cb 0.94 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3mw9 h GLN 437 CO 0.07 0.15 -0.05 -0.25 -0.95 0.00 0.00 178.83 177.81 3mw9 n ASP 438 N -4.43 0.38 -0.52 1.46 10.43 -0.99 -3.06 116.55 119.83 3mw9 n ASP 438 Ca 0.13 0.49 0.05 0.00 2.57 0.00 0.00 54.79 58.03 3mw9 n ASP 438 Cb 0.61 -0.56 0.10 0.00 1.84 0.00 0.00 41.12 43.10 3mw9 n ASP 438 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3mw9 n ARG 439 N -1.84 1.71 0.34 -1.24 1.74 -0.05 -4.73 116.66 112.59 3mw9 n ARG 439 Ca 0.06 -1.59 0.22 0.00 -0.77 0.00 0.00 57.85 55.77 3mw9 n ARG 439 Cb 0.38 -1.23 1.18 0.00 -1.02 0.00 0.00 32.46 31.77 3mw9 n ARG 439 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3mw9 h ILE 440 N 2.00 0.03 -0.06 0.55 6.09 -1.12 -1.59 117.51 123.42 3mw9 h ILE 440 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3mw9 h ILE 440 Cb 0.58 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3mw9 h ILE 440 CO 0.00 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 173.88 3mw9 n SER 441 N -3.11 2.25 0.00 2.19 7.64 -1.26 -3.23 113.62 118.09 3mw9 n SER 441 Ca -0.03 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3mw9 n SER 441 Cb 0.10 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3mw9 n SER 441 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mw9 n GLY 442 N 0.78 -2.38 3.61 0.23 0.00 -0.60 -4.29 105.19 102.54 3mw9 n GLY 442 Ca 0.09 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3mw9 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mw9 n ALA 443 N -1.71 0.17 -2.14 4.61 0.00 -1.26 -4.97 120.51 115.21 3mw9 n ALA 443 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 3mw9 n ALA 443 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.40 3mw9 n ALA 443 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mw9 s SER 444 N -0.74 5.09 0.17 0.00 1.04 -1.26 -4.38 113.70 113.61 3mw9 s SER 444 Ca 0.63 -0.85 -0.19 0.00 0.48 0.00 0.00 55.95 56.03 3mw9 s SER 444 Cb -0.56 0.04 0.10 0.00 0.10 0.00 0.00 66.02 65.70 3mw9 s SER 444 CO 0.57 -1.09 1.64 -0.08 0.98 0.00 0.00 173.24 175.25 3mw9 h GLU 445 N 0.50 -0.10 -0.47 4.02 4.81 -1.96 -2.00 114.58 119.38 3mw9 h GLU 445 Ca -0.35 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.95 3mw9 h GLU 445 Cb 1.29 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3mw9 h GLU 445 CO 0.47 -0.07 0.17 -0.22 -0.73 0.00 0.00 179.01 178.64 3mw9 h LYS 446 N -0.10 0.34 -0.48 1.92 3.64 -1.96 -0.33 116.57 119.60 3mw9 h LYS 446 Ca 0.20 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3mw9 h LYS 446 Cb 0.40 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3mw9 h LYS 446 CO -0.47 0.22 0.25 -0.44 -2.27 0.00 0.00 179.45 176.75 3mw9 h ASP 447 N 0.35 0.38 -0.40 4.20 3.45 -1.84 -0.91 116.42 121.64 3mw9 h ASP 447 Ca 0.22 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.67 3mw9 h ASP 447 Cb 0.22 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3mw9 h ASP 447 CO -0.22 0.26 0.12 0.40 -1.57 0.00 0.00 179.24 178.23 3mw9 h ILE 448 N 0.50 1.22 -0.35 0.35 1.08 -0.80 0.34 117.51 119.85 3mw9 h ILE 448 Ca 0.21 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3mw9 h ILE 448 Cb 0.09 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3mw9 h ILE 448 CO -0.13 0.26 0.21 0.58 -0.69 0.00 0.00 178.15 178.37 3mw9 h VAL 449 N 0.51 1.04 -0.20 1.67 2.07 -0.87 0.45 116.25 120.92 3mw9 h VAL 449 Ca 0.13 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3mw9 h VAL 449 Cb 0.27 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3mw9 h VAL 449 CO -0.00 0.08 0.02 0.45 0.02 0.00 0.00 177.57 178.14 3mw9 h HIS 450 N 0.42 0.37 -0.03 1.57 3.86 -0.86 -2.04 115.15 118.44 3mw9 h HIS 450 Ca 0.14 -0.06 -0.20 0.00 -1.16 0.00 0.00 60.37 59.09 3mw9 h HIS 450 Cb -0.01 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.38 3mw9 h HIS 450 CO -0.07 0.51 -0.77 0.66 0.86 0.00 0.00 177.93 179.11 3mw9 h SER 451 N 0.13 0.73 -0.88 2.45 4.64 -0.28 -2.42 113.55 117.91 3mw9 h SER 451 Ca 0.06 -0.72 0.11 0.00 -0.47 0.00 0.00 61.79 60.77 3mw9 h SER 451 Cb 0.34 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 3mw9 h SER 451 CO 0.01 1.35 0.52 1.23 -0.87 0.00 0.00 176.83 179.06 3mw9 h GLY 452 N 0.18 1.42 0.56 -0.77 0.00 -0.16 0.19 103.07 104.48 3mw9 h GLY 452 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3mw9 h GLY 452 CO 0.15 0.10 -0.16 -2.00 0.00 0.00 0.00 176.54 174.64 3mw9 h LEU 453 N 0.82 -0.39 -0.80 3.11 5.85 -1.36 -1.48 115.31 121.07 3mw9 h LEU 453 Ca 0.44 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.17 3mw9 h LEU 453 Cb 0.46 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 3mw9 h LEU 453 CO -0.28 0.04 0.30 0.00 -0.34 0.00 0.00 178.44 178.16 3mw9 h ALA 454 N -0.50 1.15 -0.46 1.25 0.00 -1.33 0.14 119.26 119.51 3mw9 h ALA 454 Ca -0.05 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3mw9 h ALA 454 Cb 0.53 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3mw9 h ALA 454 CO 0.08 -0.28 0.24 -0.92 0.00 0.00 0.00 179.25 178.37 3mw9 h TYR 455 N 0.39 0.45 0.03 0.00 3.20 -0.54 -1.91 116.97 118.59 3mw9 h TYR 455 Ca 0.46 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 62.11 3mw9 h TYR 455 Cb 0.78 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3mw9 h TYR 455 CO -0.19 0.23 -1.02 1.79 -1.64 0.00 0.00 178.16 177.34 3mw9 h THR 456 N 0.48 1.41 0.19 1.81 1.35 0.16 -1.57 112.91 116.75 3mw9 h THR 456 Ca 0.20 -2.56 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 3mw9 h THR 456 Cb 0.09 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3mw9 h THR 456 CO -0.13 0.76 -0.09 0.24 -0.25 0.00 0.00 175.52 176.05 3mw9 h MET 457 N 0.20 -0.25 -0.02 4.72 2.86 -0.81 -0.80 114.93 120.84 3mw9 h MET 457 Ca -0.10 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3mw9 h MET 457 Cb 1.67 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 33.34 3mw9 h MET 457 CO 0.18 -0.14 -0.51 1.49 1.06 0.00 0.00 176.91 178.99 3mw9 h GLU 458 N -0.29 -0.60 -0.69 1.72 4.22 -1.38 -0.02 114.58 117.53 3mw9 h GLU 458 Ca -0.03 0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.55 3mw9 h GLU 458 Cb 0.23 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3mw9 h GLU 458 CO 0.04 -0.40 0.32 -0.09 -2.18 0.00 0.00 179.01 176.70 3mw9 h ARG 459 N -0.62 0.52 -0.43 1.92 2.43 -1.25 -2.07 114.38 114.89 3mw9 h ARG 459 Ca 0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3mw9 h ARG 459 Cb 0.67 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3mw9 h ARG 459 CO -0.35 0.35 0.05 0.77 -1.51 0.00 0.00 179.97 179.28 3mw9 h SER 460 N 0.54 0.70 -0.43 -3.80 0.02 -0.94 -2.64 113.55 106.99 3mw9 h SER 460 Ca 0.35 -0.27 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 3mw9 h SER 460 Cb 0.41 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 3mw9 h SER 460 CO -0.29 0.80 -0.00 0.00 -1.14 0.00 0.00 176.83 176.19 3mw9 h ALA 461 N 0.92 0.40 -0.79 3.77 0.00 -0.43 -2.39 119.26 120.73 3mw9 h ALA 461 Ca 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3mw9 h ALA 461 Cb 0.41 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3mw9 h ALA 461 CO 0.01 -0.39 0.46 0.00 0.00 0.00 0.00 179.25 179.33 3mw9 h ARG 462 N 0.10 1.09 -0.51 0.00 3.08 -1.24 -0.73 114.38 116.17 3mw9 h ARG 462 Ca 0.21 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.19 3mw9 h ARG 462 Cb 0.31 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3mw9 h ARG 462 CO -0.36 0.78 0.34 1.96 -1.07 0.00 0.00 179.97 181.62 3mw9 h GLN 463 N 1.09 0.57 -0.00 0.04 4.20 -1.11 0.12 115.11 120.02 3mw9 h GLN 463 Ca 0.28 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3mw9 h GLN 463 Cb -0.02 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3mw9 h GLN 463 CO -0.05 0.38 -0.09 0.82 -0.67 0.00 0.00 178.83 179.21 3mw9 h ILE 464 N 0.59 1.57 -0.18 2.54 2.04 -0.79 -1.91 117.51 121.36 3mw9 h ILE 464 Ca 0.21 -1.81 0.05 0.00 1.00 0.00 0.00 64.86 64.30 3mw9 h ILE 464 Cb 0.10 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 3mw9 h ILE 464 CO -0.05 0.48 -0.12 0.24 0.00 0.00 0.00 178.15 178.70 3mw9 h MET 465 N -0.64 -0.11 -0.93 2.37 2.86 -1.01 0.17 114.93 117.64 3mw9 h MET 465 Ca -0.01 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 3mw9 h MET 465 Cb 0.84 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.42 3mw9 h MET 465 CO 0.02 -0.07 0.51 -0.09 1.06 0.00 0.00 176.91 178.34 3mw9 h ARG 466 N -0.12 0.65 0.02 1.72 2.43 -0.77 0.99 114.38 119.31 3mw9 h ARG 466 Ca 0.11 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 3mw9 h ARG 466 Cb 0.27 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3mw9 h ARG 466 CO -0.25 0.43 -0.94 1.15 -1.51 0.00 0.00 179.97 178.85 3mw9 h THR 467 N 0.67 1.54 -0.23 0.20 2.02 -0.54 -2.76 112.91 113.81 3mw9 h THR 467 Ca 0.53 -2.81 -0.17 0.00 0.77 0.00 0.00 66.41 64.73 3mw9 h THR 467 Cb 0.80 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 3mw9 h THR 467 CO -0.39 0.81 -0.53 0.00 0.37 0.00 0.00 175.52 175.79 3mw9 h ALA 468 N 0.95 0.37 -0.59 6.16 0.00 0.98 -2.56 119.26 124.56 3mw9 h ALA 468 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3mw9 h ALA 468 Cb 1.60 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 3mw9 h ALA 468 CO 0.14 0.56 0.25 0.52 0.00 0.00 0.00 179.25 180.72 3mw9 h MET 469 N 0.48 0.44 -0.03 0.00 2.07 -0.95 -1.12 114.93 115.82 3mw9 h MET 469 Ca -0.00 -0.03 -0.08 0.00 -2.07 0.00 0.00 59.70 57.52 3mw9 h MET 469 Cb 1.14 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 3mw9 h MET 469 CO 0.12 0.29 -0.36 -0.22 1.07 0.00 0.00 176.91 177.81 3mw9 h LYS 470 N 0.45 0.05 -0.23 1.72 3.64 -1.28 -2.90 116.57 118.02 3mw9 h LYS 470 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3mw9 h LYS 470 Cb 0.31 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3mw9 h LYS 470 CO -0.26 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 177.98 3mw9 n TYR 471 N -4.10 0.76 -4.07 1.91 4.02 -0.98 -4.99 117.16 109.70 3mw9 n TYR 471 Ca -0.02 -0.86 -0.46 0.00 -0.01 0.00 0.00 57.90 56.55 3mw9 n TYR 471 Cb 0.40 -0.27 0.02 0.00 -0.02 0.00 0.00 39.34 39.48 3mw9 n TYR 471 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3mw9 n ASN 472 N -0.57 -4.17 0.02 7.72 3.02 -0.71 -4.84 115.26 115.74 3mw9 n ASN 472 Ca 0.20 -1.29 0.11 0.00 -0.03 0.00 0.00 54.58 53.57 3mw9 n ASN 472 Cb 0.81 -1.62 0.07 0.00 -0.61 0.00 0.00 39.78 38.43 3mw9 n ASN 472 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mw9 n LEU 473 N -4.92 0.64 0.00 3.41 4.77 -0.51 -5.01 117.00 115.38 3mw9 n LEU 473 Ca -0.13 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3mw9 n LEU 473 Cb 0.57 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3mw9 n LEU 473 CO 0.74 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3mw9 n GLY 474 N 1.41 3.02 1.03 -0.72 0.00 -1.26 -0.71 105.19 107.97 3mw9 n GLY 474 Ca 0.03 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.31 3mw9 n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mw9 n LEU 475 N 0.00 2.95 -3.66 0.99 4.77 -1.26 -4.58 117.00 116.20 3mw9 n LEU 475 Ca 0.00 -1.49 -0.41 0.00 -0.03 0.00 0.00 56.01 54.08 3mw9 n LEU 475 Cb 0.00 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3mw9 n LEU 475 CO 0.00 0.50 2.21 -0.67 -1.33 0.00 0.00 177.39 178.10 3mw9 n ASP 476 N 0.51 6.62 -0.26 -1.43 4.64 0.12 -4.46 116.55 122.28 3mw9 n ASP 476 Ca 0.15 -3.11 -0.01 0.00 -1.38 0.00 0.00 54.79 50.43 3mw9 n ASP 476 Cb 0.57 -1.42 0.18 0.00 -1.04 0.00 0.00 41.12 39.41 3mw9 n ASP 476 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3mw9 h LEU 477 N 6.73 0.97 0.05 -2.67 3.38 -1.81 -2.93 115.31 119.02 3mw9 h LEU 477 Ca 0.56 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.51 3mw9 h LEU 477 Cb 0.46 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3mw9 h LEU 477 CO 1.56 0.73 -0.31 -0.09 0.09 0.00 0.00 178.44 180.42 3mw9 h ARG 478 N 1.12 -0.47 0.00 1.13 2.43 -1.86 0.87 114.38 117.60 3mw9 h ARG 478 Ca 0.29 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3mw9 h ARG 478 Cb -0.06 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3mw9 h ARG 478 CO -0.06 -0.31 -0.14 1.79 -1.51 0.00 0.00 179.97 179.74 3mw9 h THR 479 N -0.49 0.38 -0.14 0.20 1.35 -1.90 -0.55 112.91 111.76 3mw9 h THR 479 Ca 0.05 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.97 3mw9 h THR 479 Cb 0.55 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 3mw9 h THR 479 CO -0.23 0.14 -0.31 0.00 -0.25 0.00 0.00 175.52 174.86 3mw9 h ALA 480 N 1.86 1.21 0.06 6.62 0.00 -1.13 -1.79 119.26 126.09 3mw9 h ALA 480 Ca -0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 3mw9 h ALA 480 Cb 0.62 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.33 3mw9 h ALA 480 CO 0.02 0.52 -0.77 0.00 0.00 0.00 0.00 179.25 179.02 3mw9 h ALA 481 N 1.44 0.01 0.00 0.00 0.00 0.69 -2.89 119.26 118.51 3mw9 h ALA 481 Ca 0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3mw9 h ALA 481 Cb 0.68 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mw9 h ALA 481 CO 0.05 0.41 -0.14 1.88 0.00 0.00 0.00 179.25 181.45 3mw9 h TYR 482 N -0.13 0.00 -0.43 0.00 -1.99 -1.33 0.67 116.97 113.77 3mw9 h TYR 482 Ca -0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 3mw9 h TYR 482 Cb 1.51 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.23 3mw9 h TYR 482 CO 0.16 0.14 0.05 0.28 -0.00 0.00 0.00 178.16 178.79 3mw9 h VAL 483 N 0.00 1.25 -0.43 -2.88 2.07 -1.30 0.31 116.25 115.27 3mw9 h VAL 483 Ca -0.00 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 3mw9 h VAL 483 Cb 0.34 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3mw9 h VAL 483 CO 0.02 0.32 0.06 0.78 0.02 0.00 0.00 177.57 178.77 3mw9 h ASN 484 N 0.57 0.68 -0.14 0.57 4.21 -1.06 -1.71 115.58 118.70 3mw9 h ASN 484 Ca 0.13 -0.26 0.03 0.00 1.21 0.00 0.00 56.30 57.40 3mw9 h ASN 484 Cb 0.40 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 3mw9 h ASN 484 CO 0.01 0.78 -0.02 0.00 -1.29 0.00 0.00 177.43 176.90 3mw9 h ALA 485 N 0.93 0.10 0.20 -0.83 0.00 -0.79 -2.56 119.26 116.32 3mw9 h ALA 485 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mw9 h ALA 485 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mw9 h ALA 485 CO 0.01 -0.47 -0.10 0.82 0.00 0.00 0.00 179.25 179.51 3mw9 h ILE 486 N 0.01 0.88 -0.61 0.00 2.04 -0.92 -2.37 117.51 116.55 3mw9 h ILE 486 Ca 0.07 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3mw9 h ILE 486 Cb 0.09 1.14 -0.11 0.00 -0.74 0.00 0.00 36.82 37.21 3mw9 h ILE 486 CO -0.13 0.10 -0.42 -0.08 0.00 0.00 0.00 178.15 177.61 3mw9 h GLU 487 N -0.48 -0.20 -0.50 2.37 4.81 -1.25 0.24 114.58 119.57 3mw9 h GLU 487 Ca -0.03 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3mw9 h GLU 487 Cb 0.37 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3mw9 h GLU 487 CO 0.04 -0.13 0.26 0.87 -0.73 0.00 0.00 179.01 179.32 3mw9 h LYS 488 N -0.20 0.49 0.01 1.92 1.57 -1.35 -2.38 116.57 116.62 3mw9 h LYS 488 Ca 0.19 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.74 3mw9 h LYS 488 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3mw9 h LYS 488 CO -0.71 0.32 -0.92 0.28 -0.57 0.00 0.00 179.45 177.86 3mw9 h VAL 489 N 0.50 1.51 -0.64 0.50 2.07 -0.74 -3.03 116.25 116.42 3mw9 h VAL 489 Ca 0.22 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.95 3mw9 h VAL 489 Cb 0.12 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 3mw9 h VAL 489 CO -0.15 0.79 0.12 0.15 0.02 0.00 0.00 177.57 178.50 3mw9 h PHE 490 N 0.10 1.08 -0.86 1.57 3.57 -0.41 -1.94 116.94 120.05 3mw9 h PHE 490 Ca -0.05 -0.13 0.11 0.00 3.53 0.00 0.00 57.97 61.42 3mw9 h PHE 490 Cb 1.57 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 3mw9 h PHE 490 CO 0.03 0.91 0.56 -0.09 -2.23 0.00 0.00 178.31 177.49 3mw9 h ARG 491 N 0.97 0.78 -0.03 1.11 2.43 -1.30 -0.53 114.38 117.81 3mw9 h ARG 491 Ca 0.20 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 3mw9 h ARG 491 Cb 0.39 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3mw9 h ARG 491 CO 0.01 0.52 -0.53 0.28 -1.51 0.00 0.00 179.97 178.73 3mw9 h VAL 492 N 0.80 1.42 -0.68 0.20 2.07 -1.34 -1.52 116.25 117.20 3mw9 h VAL 492 Ca 0.41 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3mw9 h VAL 492 Cb 0.48 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3mw9 h VAL 492 CO -0.17 0.58 0.36 1.88 0.02 0.00 0.00 177.57 180.24 3mw9 h TYR 493 N -0.09 0.95 -0.46 1.57 -1.99 -1.23 -2.92 116.97 112.80 3mw9 h TYR 493 Ca -0.06 -0.03 -0.11 0.00 2.00 0.00 0.00 58.73 60.53 3mw9 h TYR 493 Cb 1.23 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 3mw9 h TYR 493 CO 0.14 0.68 -0.14 -0.97 -0.00 0.00 0.00 178.16 177.88 3mw9 h ASN 494 N 0.94 0.92 -0.17 3.88 -0.73 -1.04 -0.57 115.58 118.81 3mw9 h ASN 494 Ca 0.24 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 58.04 3mw9 h ASN 494 Cb 0.06 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.40 3mw9 h ASN 494 CO -0.04 1.08 0.00 -0.62 -0.37 0.00 0.00 177.43 177.49 3mw9 n GLU 495 N -4.22 1.50 -0.15 6.67 1.02 -0.58 -3.59 120.64 121.30 3mw9 n GLU 495 Ca -0.00 -0.77 0.05 0.00 -0.02 0.00 0.00 57.16 56.41 3mw9 n GLU 495 Cb 0.40 -1.27 0.12 0.00 -0.02 0.00 0.00 31.44 30.68 3mw9 n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mw9 n ALA 496 N 0.05 2.21 -1.20 0.62 0.00 -1.11 -4.94 120.51 116.14 3mw9 n ALA 496 Ca 0.11 -1.28 -0.07 0.00 0.00 0.00 0.00 53.44 52.20 3mw9 n ALA 496 Cb 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3mw9 n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mw9 n GLY 497 N 0.07 0.83 5.13 0.00 0.00 -1.24 -4.43 105.19 105.54 3mw9 n GLY 497 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3mw9 n GLY 497 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mw9 n VAL 498 N -2.50 0.00 -3.61 1.61 0.31 -0.24 -4.75 118.33 109.15 3mw9 n VAL 498 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 3mw9 n VAL 498 Cb 0.38 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.29 3mw9 n VAL 498 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3mw9 s THR 499 N 0.00 0.00 -1.29 2.52 -1.32 -1.26 -4.98 115.64 109.31 3mw9 s THR 499 Ca 0.00 -0.44 -0.17 0.00 -1.21 0.00 0.00 61.69 59.88 3mw9 s THR 499 Cb 0.00 -1.44 0.09 0.00 -1.51 0.00 0.00 72.50 69.64 3mw9 s THR 499 CO 0.00 0.00 1.71 2.22 -2.21 0.00 0.00 174.62 176.34 3mw9 n PHE 500 N -0.41 4.61 0.00 9.09 1.16 -1.26 -5.19 117.46 125.46 3mw9 n PHE 500 Ca -0.11 -2.96 0.00 0.00 -1.87 0.00 0.00 57.45 52.51 3mw9 n PHE 500 Cb 0.62 -2.52 0.00 0.00 -1.61 0.00 0.00 39.48 35.97 3mw9 n PHE 500 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30