#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mw3 s PRO 2 N 0.00 -1.21 0.33 1.43 0.04 -1.26 -5.08 135.00 129.26 1mw3 s PRO 2 Ca 0.00 -0.00 0.08 0.00 0.04 0.00 0.00 61.00 61.12 1mw3 s PRO 2 Cb 0.00 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 1mw3 s PRO 2 CO 0.00 -3.71 -0.07 0.54 0.04 0.00 0.00 177.00 173.80 1mw3 s ASN 3 N -3.80 3.37 0.21 6.66 2.20 -1.26 -5.04 114.94 117.27 1mw3 s ASN 3 Ca 0.70 -1.22 -0.11 0.00 -0.94 0.00 0.00 52.86 51.30 1mw3 s ASN 3 Cb -0.11 -0.28 0.28 0.00 -2.00 0.00 0.00 41.25 39.14 1mw3 s ASN 3 CO 0.56 -0.29 1.70 -1.28 -2.94 0.00 0.00 177.10 174.85 1mw3 h SER 4 N 2.08 -0.07 -0.11 3.54 0.87 -1.96 -1.76 113.55 116.15 1mw3 h SER 4 Ca -0.41 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1mw3 h SER 4 Cb 1.24 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1mw3 h SER 4 CO 0.70 -0.02 0.06 1.56 -0.53 0.00 0.00 176.83 178.61 1mw3 h GLN 5 N 0.22 0.13 0.05 2.24 1.08 -1.97 -1.32 115.11 115.54 1mw3 h GLN 5 Ca 0.31 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1mw3 h GLN 5 Cb 0.46 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1mw3 h GLN 5 CO -0.42 0.09 -0.11 -0.92 -0.95 0.00 0.00 178.83 176.52 1mw3 h TYR 6 N 0.13 -0.27 -0.87 2.96 3.20 -1.91 -2.35 116.97 117.86 1mw3 h TYR 6 Ca 0.04 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1mw3 h TYR 6 Cb -0.01 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 1mw3 h TYR 6 CO -0.08 -0.16 0.55 -0.07 -1.64 0.00 0.00 178.16 176.76 1mw3 h LEU 7 N -0.20 0.87 -0.79 2.82 3.38 -1.19 -2.52 115.31 117.67 1mw3 h LEU 7 Ca 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1mw3 h LEU 7 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1mw3 h LEU 7 CO -0.07 0.56 0.27 0.11 0.09 0.00 0.00 178.44 179.39 1mw3 h LYS 8 N 1.00 1.17 -0.22 1.13 1.57 -1.00 -1.67 116.57 118.56 1mw3 h LYS 8 Ca 0.38 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1mw3 h LYS 8 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1mw3 h LYS 8 CO -0.17 0.98 -0.08 1.79 -0.57 0.00 0.00 179.45 181.39 1mw3 h THR 9 N 1.13 1.18 0.00 -0.16 1.35 -1.01 -2.30 112.91 113.11 1mw3 h THR 9 Ca 0.25 -0.78 -0.16 0.00 -0.55 0.00 0.00 66.41 65.17 1mw3 h THR 9 Cb 0.27 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 1mw3 h THR 9 CO -0.01 0.25 -0.75 0.03 -0.25 0.00 0.00 175.52 174.78 1mw3 h ARG 10 N 0.33 0.00 -0.32 4.72 3.08 -1.17 -3.05 114.38 117.96 1mw3 h ARG 10 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1mw3 h ARG 10 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1mw3 h ARG 10 CO 0.02 0.75 -0.20 0.82 -1.07 0.00 0.00 179.97 180.30 1mw3 h ILE 11 N 0.00 1.26 0.00 2.04 2.04 -0.78 -2.73 117.51 119.34 1mw3 h ILE 11 Ca -0.01 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1mw3 h ILE 11 Cb 1.43 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1mw3 h ILE 11 CO 0.10 0.40 0.00 -0.07 0.00 0.00 0.00 178.15 178.58 1mw3 h LEU 12 N 0.54 0.00 -0.44 1.44 3.38 -1.38 -3.27 115.31 115.59 1mw3 h LEU 12 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1mw3 h LEU 12 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mw3 h LEU 12 CO 0.05 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.05 1mw3 n ASP 13 N -2.54 0.20 0.03 -0.43 8.00 -1.03 -1.68 116.55 119.11 1mw3 n ASP 13 Ca 0.03 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.25 1mw3 n ASP 13 Cb 0.37 -0.61 0.53 0.00 -0.02 0.00 0.00 41.12 41.39 1mw3 n ASP 13 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1mw3 n ILE 14 N -1.76 0.27 -3.77 0.53 -5.35 -1.23 -4.83 119.36 103.23 1mw3 n ILE 14 Ca 0.00 -0.05 -0.22 0.00 -0.27 0.00 0.00 62.75 62.21 1mw3 n ILE 14 Cb 0.05 -0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 37.34 1mw3 n ILE 14 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1mw3 s TYR 15 N -3.04 3.47 0.77 4.28 1.51 -0.67 -5.10 117.35 118.57 1mw3 s TYR 15 Ca 0.12 0.12 -0.12 0.00 -1.01 0.00 0.00 57.07 56.19 1mw3 s TYR 15 Cb 0.16 -1.69 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1mw3 s TYR 15 CO 0.52 0.34 1.12 0.95 -1.11 0.00 0.00 175.55 177.37 1mw3 s THR 16 N -2.07 2.96 0.23 -0.71 -4.23 -1.26 -4.72 115.64 105.84 1mw3 s THR 16 Ca 0.36 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 61.12 1mw3 s THR 16 Cb -0.09 -3.21 0.18 0.00 1.34 0.00 0.00 72.50 70.72 1mw3 s THR 16 CO 0.31 -0.41 1.78 -0.65 -0.54 0.00 0.00 174.62 175.11 1mw3 h PRO 17 N -0.94 0.58 -0.45 3.99 0.11 -1.98 0.29 132.00 133.60 1mw3 h PRO 17 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1mw3 h PRO 17 Cb 1.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1mw3 h PRO 17 CO 0.63 0.38 0.05 1.49 -0.21 0.00 0.00 178.00 180.34 1mw3 h GLU 18 N 0.59 0.76 -0.33 1.05 4.22 -2.00 -1.38 114.58 117.50 1mw3 h GLU 18 Ca 0.36 -0.22 -0.05 0.00 0.08 0.00 0.00 59.36 59.54 1mw3 h GLU 18 Cb 0.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1mw3 h GLU 18 CO -0.28 0.79 0.02 1.96 -2.18 0.00 0.00 179.01 179.32 1mw3 h GLN 19 N 0.61 0.56 -0.00 1.92 4.20 -1.80 -2.36 115.11 118.24 1mw3 h GLN 19 Ca 0.13 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1mw3 h GLN 19 Cb 0.42 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1mw3 h GLN 19 CO 0.01 0.68 -0.26 -0.09 -0.67 0.00 0.00 178.83 178.50 1mw3 h ARG 20 N 0.37 -0.38 -0.72 1.46 2.43 -0.30 0.16 114.38 117.40 1mw3 h ARG 20 Ca 0.10 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.44 1mw3 h ARG 20 Cb 0.41 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 1mw3 h ARG 20 CO 0.01 -0.26 0.20 0.00 -1.51 0.00 0.00 179.97 178.42 1mw3 h ALA 21 N 0.42 0.94 -0.70 2.80 0.00 -1.18 -0.30 119.26 121.24 1mw3 h ALA 21 Ca 0.06 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1mw3 h ALA 21 Cb 0.48 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1mw3 h ALA 21 CO -0.23 -0.30 0.14 0.78 0.00 0.00 0.00 179.25 179.64 1mw3 h GLY 22 N 0.31 1.22 0.95 0.00 0.00 -0.66 -3.06 103.07 101.82 1mw3 h GLY 22 Ca 0.40 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1mw3 h GLY 22 CO -0.47 0.73 0.09 -2.22 0.00 0.00 0.00 176.54 174.67 1mw3 h ILE 23 N 1.06 1.24 0.00 2.60 1.08 0.84 -2.82 117.51 121.51 1mw3 h ILE 23 Ca 0.22 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1mw3 h ILE 23 Cb 0.40 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1mw3 h ILE 23 CO 0.01 0.29 0.00 -0.62 -0.69 0.00 0.00 178.15 177.14 1mw3 n GLU 24 N -4.51 0.10 0.00 2.37 1.02 -0.29 -1.81 120.64 117.52 1mw3 n GLU 24 Ca 0.00 0.46 0.08 0.00 -0.02 0.00 0.00 57.16 57.68 1mw3 n GLU 24 Cb 0.22 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 1mw3 n GLU 24 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mw3 n LYS 25 N -1.95 1.46 -2.36 3.49 4.76 -1.09 -4.81 118.16 117.66 1mw3 n LYS 25 Ca 0.01 -0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 1mw3 n LYS 25 Cb 0.12 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 1mw3 n LYS 25 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1mw3 s SER 26 N -2.58 6.17 0.23 4.39 1.04 -0.75 -4.95 113.70 117.25 1mw3 s SER 26 Ca 0.06 2.15 -0.07 0.00 0.48 0.00 0.00 55.95 58.57 1mw3 s SER 26 Cb 0.13 -2.58 0.21 0.00 0.10 0.00 0.00 66.02 63.87 1mw3 s SER 26 CO 0.69 -0.91 1.87 -0.08 0.98 0.00 0.00 173.24 175.79 1mw3 h GLU 27 N 1.77 1.23 -0.34 4.02 4.57 -1.94 -2.04 114.58 121.84 1mw3 h GLU 27 Ca -0.49 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 57.60 1mw3 h GLU 27 Cb 1.24 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.54 1mw3 h GLU 27 CO 0.59 0.87 0.13 -0.44 -1.18 0.00 0.00 179.01 178.98 1mw3 h ASP 28 N 1.24 0.16 -0.28 1.04 3.32 -1.92 -0.69 116.42 119.29 1mw3 h ASP 28 Ca 0.32 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 1mw3 h ASP 28 Cb -0.03 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1mw3 h ASP 28 CO -0.06 0.13 -0.20 -0.25 -1.72 0.00 0.00 179.24 177.14 1mw3 h TRP 29 N 0.29 0.84 -0.42 4.55 2.91 -1.74 -0.77 115.95 121.61 1mw3 h TRP 29 Ca 0.15 -0.18 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1mw3 h TRP 29 Cb 0.11 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 1mw3 h TRP 29 CO -0.13 0.88 0.24 -0.09 -1.03 0.00 0.00 178.44 178.31 1mw3 h ARG 30 N 0.65 0.46 -0.07 2.65 1.12 -0.80 0.51 114.38 118.91 1mw3 h ARG 30 Ca 0.10 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1mw3 h ARG 30 Cb 0.70 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.55 1mw3 h ARG 30 CO 0.05 0.31 -0.01 1.96 -3.11 0.00 0.00 179.97 179.17 1mw3 h GLN 31 N 0.48 0.13 -0.81 0.20 1.08 -0.96 -1.94 115.11 113.29 1mw3 h GLN 31 Ca 0.17 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1mw3 h GLN 31 Cb 0.04 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.40 1mw3 h GLN 31 CO -0.09 0.42 0.49 0.35 -0.95 0.00 0.00 178.83 179.05 1mw3 h PHE 32 N -0.17 0.91 -0.56 2.96 3.57 -0.79 -1.05 116.94 121.81 1mw3 h PHE 32 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1mw3 h PHE 32 Cb 0.36 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1mw3 h PHE 32 CO 0.04 0.46 0.20 1.03 -2.23 0.00 0.00 178.31 177.81 1mw3 h SER 33 N 0.90 0.80 -0.38 0.41 0.87 0.09 0.14 113.55 116.38 1mw3 h SER 33 Ca 0.35 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1mw3 h SER 33 Cb 0.17 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1mw3 h SER 33 CO -0.17 0.77 0.04 -0.09 -0.53 0.00 0.00 176.83 176.85 1mw3 h ARG 34 N 0.78 0.64 -0.27 2.24 2.43 -0.84 -2.13 114.38 117.22 1mw3 h ARG 34 Ca 0.18 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1mw3 h ARG 34 Cb 0.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1mw3 h ARG 34 CO -0.01 0.71 -0.21 0.00 -1.51 0.00 0.00 179.97 178.95 1mw3 h ARG 35 N 0.47 0.50 0.23 0.20 3.08 -1.07 -1.63 114.38 116.16 1mw3 h ARG 35 Ca 0.11 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1mw3 h ARG 35 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1mw3 h ARG 35 CO 0.01 0.69 -0.11 0.52 -1.07 0.00 0.00 179.97 180.01 1mw3 h MET 36 N 0.45 -0.30 -0.89 0.04 2.86 -0.80 0.12 114.93 116.42 1mw3 h MET 36 Ca 0.07 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1mw3 h MET 36 Cb 0.62 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 1mw3 h MET 36 CO 0.04 -0.17 0.56 -0.44 1.06 0.00 0.00 176.91 177.97 1mw3 h ASP 37 N -0.35 0.90 -0.09 1.22 3.32 -1.17 0.25 116.42 120.50 1mw3 h ASP 37 Ca -0.03 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1mw3 h ASP 37 Cb 0.27 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1mw3 h ASP 37 CO 0.05 0.59 -0.35 0.74 -1.72 0.00 0.00 179.24 178.55 1mw3 h THR 38 N 1.04 1.40 0.00 0.35 2.02 -1.08 -3.40 112.91 113.24 1mw3 h THR 38 Ca 0.37 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.84 1mw3 h THR 38 Cb 0.12 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1mw3 h THR 38 CO -0.15 0.50 -1.64 1.41 0.37 0.00 0.00 175.52 176.00 1mw3 n HIS 39 N -4.38 0.00 -0.32 3.16 8.25 0.41 -4.60 115.22 117.76 1mw3 n HIS 39 Ca -0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1mw3 n HIS 39 Cb 0.52 -0.34 0.15 0.00 1.12 0.00 0.00 29.99 31.44 1mw3 n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1mw3 h PHE 40 N 0.00 0.99 -0.98 4.41 3.57 -0.63 -2.27 116.94 122.02 1mw3 h PHE 40 Ca 0.00 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1mw3 h PHE 40 Cb 0.77 -0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 1mw3 h PHE 40 CO 0.00 0.48 0.62 -1.35 -2.23 0.00 0.00 178.31 175.83 1mw3 h PRO 41 N 0.96 0.84 -0.10 6.41 0.11 -1.81 0.21 132.00 138.62 1mw3 h PRO 41 Ca 0.39 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1mw3 h PRO 41 Cb 0.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1mw3 h PRO 41 CO -0.19 0.56 0.02 0.87 -0.21 0.00 0.00 178.00 179.05 1mw3 h LYS 42 N 0.87 0.17 -0.50 1.05 1.57 -1.72 -0.48 116.57 117.53 1mw3 h LYS 42 Ca 0.51 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.31 1mw3 h LYS 42 Cb 0.66 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1mw3 h LYS 42 CO -0.28 0.36 0.21 1.25 -0.57 0.00 0.00 179.45 180.41 1mw3 h LEU 43 N -0.05 0.24 -0.31 2.94 5.85 -0.89 0.36 115.31 123.46 1mw3 h LEU 43 Ca 0.03 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1mw3 h LEU 43 Cb 0.27 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1mw3 h LEU 43 CO 0.00 0.17 0.10 -0.03 -0.34 0.00 0.00 178.44 178.34 1mw3 h MET 44 N 0.40 0.48 -0.16 1.25 4.05 -0.54 -2.09 114.93 118.33 1mw3 h MET 44 Ca 0.24 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1mw3 h MET 44 Cb 0.22 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1mw3 h MET 44 CO -0.22 0.53 0.10 -0.97 0.23 0.00 0.00 176.91 176.58 1mw3 h ASN 45 N 0.34 0.16 -0.38 1.39 -1.24 -0.59 0.10 115.58 115.37 1mw3 h ASN 45 Ca 0.10 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 1mw3 h ASN 45 Cb 0.25 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1mw3 h ASN 45 CO -0.00 0.12 0.12 -0.33 -1.29 0.00 0.00 177.43 176.05 1mw3 h GLU 46 N 0.20 0.59 -0.77 6.67 4.39 -0.92 -1.41 114.58 123.33 1mw3 h GLU 46 Ca 0.06 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1mw3 h GLU 46 Cb -0.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1mw3 h GLU 46 CO -0.02 0.60 0.30 -0.07 -1.16 0.00 0.00 179.01 178.66 1mw3 h LEU 47 N 0.46 1.06 -0.80 1.33 3.38 -1.24 -2.56 115.31 116.94 1mw3 h LEU 47 Ca 0.12 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1mw3 h LEU 47 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1mw3 h LEU 47 CO -0.00 0.95 0.01 -0.78 0.09 0.00 0.00 178.44 178.71 1mw3 h ASP 48 N 1.12 0.88 0.43 -0.43 1.82 -0.80 0.33 116.42 119.77 1mw3 h ASP 48 Ca 0.26 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1mw3 h ASP 48 Cb 0.22 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 1mw3 h ASP 48 CO -0.02 0.94 -0.00 0.77 -1.61 0.00 0.00 179.24 179.32 1mw3 h SER 49 N 0.85 0.00 0.00 2.28 4.64 -0.84 0.11 113.55 120.59 1mw3 h SER 49 Ca 0.16 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.07 1mw3 h SER 49 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1mw3 h SER 49 CO 0.02 0.00 -2.37 0.52 -0.87 0.00 0.00 176.83 174.14 1mw3 n VAL 50 N -3.10 1.46 0.39 0.95 0.31 -0.86 -4.70 118.33 112.79 1mw3 n VAL 50 Ca -0.01 -0.33 0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1mw3 n VAL 50 Cb 0.17 -1.90 0.04 0.00 -0.91 0.00 0.00 33.84 31.24 1mw3 n VAL 50 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1mw3 n TYR 51 N -4.21 0.53 -2.33 3.52 4.01 0.05 -5.03 117.16 113.69 1mw3 n TYR 51 Ca -0.49 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1mw3 n TYR 51 Cb 0.84 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1mw3 n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mw3 n GLY 52 N 1.30 2.67 0.61 2.72 0.00 0.39 -1.90 105.19 110.98 1mw3 n GLY 52 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1mw3 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mw3 n ASN 53 N 1.09 1.27 -4.66 1.61 3.02 -1.26 -4.87 115.26 111.46 1mw3 n ASN 53 Ca 0.00 -1.75 -0.46 0.00 -0.03 0.00 0.00 54.58 52.33 1mw3 n ASN 53 Cb 0.00 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 1mw3 n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mw3 n ASN 54 N 0.18 2.77 0.08 6.41 2.85 -0.80 -4.86 115.26 121.90 1mw3 n ASN 54 Ca 0.00 1.11 0.04 0.00 -0.11 0.00 0.00 54.58 55.61 1mw3 n ASN 54 Cb 0.27 -1.39 0.44 0.00 1.24 0.00 0.00 39.78 40.34 1mw3 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1mw3 h GLU 55 N 5.20 0.35 -0.00 1.20 -0.00 -1.91 -2.40 114.58 117.03 1mw3 h GLU 55 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1mw3 h GLU 55 Cb 1.27 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1mw3 h GLU 55 CO 0.83 0.32 -0.02 0.00 -0.00 0.00 0.00 179.01 180.14 1mw3 n ALA 56 N -2.49 2.55 0.38 1.06 0.00 -1.26 -4.26 120.51 116.49 1mw3 n ALA 56 Ca 0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1mw3 n ALA 56 Cb 0.14 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 1mw3 n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mw3 h LEU 57 N 0.08 -0.84 -0.19 0.00 5.85 -1.79 -0.87 115.31 117.55 1mw3 h LEU 57 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1mw3 h LEU 57 Cb 0.26 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1mw3 h LEU 57 CO 0.00 -0.58 0.10 0.25 -0.34 0.00 0.00 178.44 177.87 1mw3 h LEU 58 N -0.95 0.23 -0.69 2.25 5.85 -1.79 0.37 115.31 120.59 1mw3 h LEU 58 Ca -0.09 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1mw3 h LEU 58 Cb 0.74 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1mw3 h LEU 58 CO 0.14 0.25 0.40 -0.65 -0.34 0.00 0.00 178.44 178.24 1mw3 h PRO 59 N 0.20 0.74 -0.41 5.25 0.11 -1.78 -0.44 132.00 135.67 1mw3 h PRO 59 Ca 0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1mw3 h PRO 59 Cb 0.07 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1mw3 h PRO 59 CO -0.01 0.49 0.18 1.98 -0.21 0.00 0.00 178.00 180.43 1mw3 h MET 60 N 0.76 0.61 -0.86 1.05 1.85 -0.94 -2.16 114.93 115.23 1mw3 h MET 60 Ca 0.30 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.29 1mw3 h MET 60 Cb 0.12 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.01 1mw3 h MET 60 CO -0.15 0.55 0.57 1.25 -0.40 0.00 0.00 176.91 178.72 1mw3 h LEU 61 N 0.53 0.99 -0.78 3.39 5.85 -0.24 -0.20 115.31 124.84 1mw3 h LEU 61 Ca 0.14 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1mw3 h LEU 61 Cb 0.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1mw3 h LEU 61 CO -0.01 0.72 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.95 1mw3 h GLU 62 N 1.17 0.22 -0.01 1.25 5.08 -0.93 -1.08 114.58 120.28 1mw3 h GLU 62 Ca 0.31 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1mw3 h GLU 62 Cb -0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1mw3 h GLU 62 CO -0.07 0.70 -0.00 1.98 -1.00 0.00 0.00 179.01 180.61 1mw3 h MET 63 N 0.18 0.03 -0.55 2.33 4.05 -0.95 -1.82 114.93 118.19 1mw3 h MET 63 Ca 0.00 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1mw3 h MET 63 Cb 0.99 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.74 1mw3 h MET 63 CO 0.08 0.41 0.28 1.25 0.23 0.00 0.00 176.91 179.16 1mw3 h LEU 64 N -0.35 0.41 -1.26 3.39 5.85 -0.94 -0.98 115.31 121.43 1mw3 h LEU 64 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1mw3 h LEU 64 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1mw3 h LEU 64 CO 0.00 0.27 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.94 1mw3 h LEU 65 N 0.54 0.01 -0.45 2.25 3.38 -1.19 0.29 115.31 120.14 1mw3 h LEU 65 Ca 0.25 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1mw3 h LEU 65 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1mw3 h LEU 65 CO -0.17 0.37 -0.14 0.00 0.09 0.00 0.00 178.44 178.59 1mw3 h ALA 66 N 1.63 0.62 -0.44 1.53 0.00 -0.46 -1.25 119.26 120.90 1mw3 h ALA 66 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1mw3 h ALA 66 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1mw3 h ALA 66 CO 0.05 0.55 -0.14 1.96 0.00 0.00 0.00 179.25 181.67 1mw3 h GLN 67 N 0.73 0.82 -0.22 0.00 4.20 -0.61 -2.32 115.11 117.71 1mw3 h GLN 67 Ca 0.11 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1mw3 h GLN 67 Cb 0.70 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1mw3 h GLN 67 CO 0.05 0.91 0.08 0.00 -0.67 0.00 0.00 178.83 179.20 1mw3 h ALA 68 N 1.11 0.25 0.24 3.87 0.00 -0.04 0.13 119.26 124.82 1mw3 h ALA 68 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1mw3 h ALA 68 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1mw3 h ALA 68 CO 0.04 -0.34 -0.12 2.35 0.00 0.00 0.00 179.25 181.19 1mw3 h TRP 69 N 0.19 -0.30 -0.83 0.00 -0.00 -1.08 -0.61 115.95 113.32 1mw3 h TRP 69 Ca 0.10 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.07 1mw3 h TRP 69 Cb 0.06 0.10 -0.07 0.00 -0.00 0.00 0.00 29.16 29.25 1mw3 h TRP 69 CO -0.12 -0.13 0.48 1.96 -0.00 0.00 0.00 178.44 180.64 1mw3 h GLN 70 N -0.40 0.79 -0.35 2.65 1.08 -1.25 0.27 115.11 117.89 1mw3 h GLN 70 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1mw3 h GLN 70 Cb 0.31 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1mw3 h GLN 70 CO 0.05 0.52 0.18 1.03 -0.95 0.00 0.00 178.83 179.67 1mw3 h SER 71 N 0.81 0.45 -0.30 1.46 0.87 -0.47 -1.30 113.55 115.06 1mw3 h SER 71 Ca 0.40 -0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1mw3 h SER 71 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1mw3 h SER 71 CO -0.24 0.43 -0.34 0.22 -0.53 0.00 0.00 176.83 176.36 1mw3 h TYR 72 N 0.44 0.99 -0.80 2.24 3.20 -0.29 -1.05 116.97 121.69 1mw3 h TYR 72 Ca 0.12 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.73 1mw3 h TYR 72 Cb 0.09 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1mw3 h TYR 72 CO -0.02 1.06 0.53 1.03 -1.64 0.00 0.00 178.16 179.12 1mw3 h SER 73 N 0.70 0.91 1.78 -2.11 0.87 -0.31 -1.86 113.55 113.53 1mw3 h SER 73 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1mw3 h SER 73 Cb 0.90 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1mw3 h SER 73 CO 0.08 0.65 -0.13 1.56 -0.53 0.00 0.00 176.83 178.46 1mw3 h GLN 74 N 1.07 0.00 -6.45 2.24 4.20 -1.00 -3.47 115.11 111.70 1mw3 h GLN 74 Ca 0.30 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.40 1mw3 h GLN 74 Cb -0.10 0.00 0.06 0.00 0.30 0.00 0.00 27.48 27.74 1mw3 h GLN 74 CO -0.07 0.00 0.66 -2.13 -0.67 0.00 0.00 178.83 176.62 1mw3 n ARG 75 N -2.92 1.83 -1.81 1.46 0.63 -0.42 -4.91 116.66 110.53 1mw3 n ARG 75 Ca 0.04 0.66 -0.40 0.00 -0.92 0.00 0.00 57.85 57.22 1mw3 n ARG 75 Cb 0.52 -2.37 0.01 0.00 0.45 0.00 0.00 32.46 31.06 1mw3 n ARG 75 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1mw3 s ASN 76 N 0.68 6.09 0.37 6.15 2.47 -1.26 -4.82 114.94 124.62 1mw3 s ASN 76 Ca 0.79 2.97 0.09 0.00 0.42 0.00 0.00 52.86 57.13 1mw3 s ASN 76 Cb -0.75 -2.66 0.83 0.00 -1.45 0.00 0.00 41.25 37.22 1mw3 s ASN 76 CO 0.42 -1.03 1.91 0.28 -3.72 0.00 0.00 177.10 174.96 1mw3 h SER 77 N 2.63 0.61 -0.66 -4.21 0.02 -1.98 -0.70 113.55 109.25 1mw3 h SER 77 Ca -0.51 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 1mw3 h SER 77 Cb 1.25 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1mw3 h SER 77 CO 0.62 0.34 0.27 0.28 -1.14 0.00 0.00 176.83 177.21 1mw3 h SER 78 N 0.66 0.91 -0.14 3.07 0.02 -2.00 -0.78 113.55 115.30 1mw3 h SER 78 Ca 0.38 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1mw3 h SER 78 Cb 0.56 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1mw3 h SER 78 CO -0.15 0.83 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.91 1mw3 h LEU 79 N 0.93 0.71 -1.44 5.07 3.38 -1.67 -2.53 115.31 119.76 1mw3 h LEU 79 Ca 0.22 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1mw3 h LEU 79 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1mw3 h LEU 79 CO -0.02 1.01 -0.04 0.11 0.09 0.00 0.00 178.44 179.60 1mw3 h LYS 80 N 0.55 0.32 -0.49 1.13 1.57 -0.68 0.46 116.57 119.42 1mw3 h LYS 80 Ca 0.05 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1mw3 h LYS 80 Cb 0.91 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1mw3 h LYS 80 CO 0.08 0.38 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.82 1mw3 h ASP 81 N 0.31 0.86 -0.15 0.86 3.32 -0.75 -2.31 116.42 118.55 1mw3 h ASP 81 Ca 0.07 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 1mw3 h ASP 81 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1mw3 h ASP 81 CO 0.01 0.97 -0.29 0.40 -1.72 0.00 0.00 179.24 178.61 1mw3 h ILE 82 N 0.79 1.28 -0.21 0.35 1.08 -0.90 -1.15 117.51 118.75 1mw3 h ILE 82 Ca 0.14 -1.40 0.04 0.00 -0.39 0.00 0.00 64.86 63.25 1mw3 h ILE 82 Cb 0.59 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.66 1mw3 h ILE 82 CO 0.04 0.45 -0.06 0.44 -0.69 0.00 0.00 178.15 178.33 1mw3 h ASP 83 N 0.55 -0.21 -0.58 1.72 3.32 -0.44 0.01 116.42 120.79 1mw3 h ASP 83 Ca 0.07 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1mw3 h ASP 83 Cb 0.78 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1mw3 h ASP 83 CO 0.06 -0.08 0.21 0.40 -1.72 0.00 0.00 179.24 178.12 1mw3 h ILE 84 N -0.01 1.23 -0.55 0.35 2.04 -1.25 -1.97 117.51 117.35 1mw3 h ILE 84 Ca 0.10 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1mw3 h ILE 84 Cb 0.16 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1mw3 h ILE 84 CO -0.22 0.29 0.30 0.00 0.00 0.00 0.00 178.15 178.51 1mw3 h ALA 85 N 1.07 0.71 0.00 1.87 0.00 -0.48 -2.14 119.26 120.29 1mw3 h ALA 85 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1mw3 h ALA 85 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1mw3 h ALA 85 CO -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 179.25 178.87 1mw3 h ARG 86 N 0.58 0.00 -0.57 0.00 3.08 -0.89 -1.65 114.38 114.93 1mw3 h ARG 86 Ca 0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1mw3 h ARG 86 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1mw3 h ARG 86 CO -0.14 0.35 -0.02 0.93 -1.07 0.00 0.00 179.97 180.01 1mw3 h GLU 87 N 0.00 1.01 0.00 0.04 5.08 -0.92 -2.69 114.58 117.10 1mw3 h GLU 87 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1mw3 h GLU 87 Cb 1.11 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1mw3 h GLU 87 CO 0.05 1.00 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.85 1mw3 h ASN 88 N 0.92 0.00 -2.23 1.42 2.35 -1.26 -3.39 115.58 113.39 1mw3 h ASN 88 Ca 0.16 -0.09 -0.58 0.00 -0.55 0.00 0.00 56.30 55.24 1mw3 h ASN 88 Cb 0.56 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.54 1mw3 h ASN 88 CO 0.03 0.04 -0.96 -3.20 -1.65 0.00 0.00 177.43 171.70 1mw3 n ASN 89 N -2.27 0.65 0.29 5.81 5.15 -0.63 -4.95 115.26 119.30 1mw3 n ASN 89 Ca 0.04 -2.73 0.19 0.00 -0.60 0.00 0.00 54.58 51.49 1mw3 n ASN 89 Cb 0.44 -0.62 0.92 0.00 -0.53 0.00 0.00 39.78 39.99 1mw3 n ASN 89 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mw3 h PRO 90 N 4.67 0.00 -0.66 1.20 0.13 -1.69 -2.92 132.00 132.73 1mw3 h PRO 90 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1mw3 h PRO 90 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1mw3 h PRO 90 CO 0.50 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1mw3 n ASP 91 N -2.96 3.36 0.26 1.44 9.92 -1.26 -4.27 116.55 123.03 1mw3 n ASP 91 Ca -0.01 -2.38 0.09 0.00 -0.53 0.00 0.00 54.79 51.95 1mw3 n ASP 91 Cb 0.17 -0.51 0.66 0.00 -0.64 0.00 0.00 41.12 40.80 1mw3 n ASP 91 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1mw3 h TRP 92 N 2.43 0.00 0.00 1.24 5.08 -1.90 -0.27 115.95 122.54 1mw3 h TRP 92 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1mw3 h TRP 92 Cb 1.13 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.29 1mw3 h TRP 92 CO 0.54 0.01 -0.02 -0.84 -1.28 0.00 0.00 178.44 176.85 1mw3 h ILE 93 N 0.00 0.08 -0.02 0.12 3.07 -1.87 -2.86 117.51 116.03 1mw3 h ILE 93 Ca -0.00 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1mw3 h ILE 93 Cb 0.03 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 1mw3 h ILE 93 CO 0.00 0.02 -0.12 0.18 -1.05 0.00 0.00 178.15 177.18 1mw3 n LEU 94 N -3.15 1.65 -4.76 0.16 4.77 -0.11 -4.46 117.00 111.09 1mw3 n LEU 94 Ca -0.01 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 1mw3 n LEU 94 Cb 0.24 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1mw3 n LEU 94 CO 0.26 0.28 0.94 -0.55 -1.33 0.00 0.00 177.39 176.99 1mw3 s SER 95 N -2.19 6.93 0.00 -1.43 0.15 -1.08 -1.48 113.70 114.60 1mw3 s SER 95 Ca 0.31 2.50 0.12 0.00 0.70 0.00 0.00 55.95 59.58 1mw3 s SER 95 Cb 0.20 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.40 1mw3 s SER 95 CO 0.41 -0.44 1.39 -0.46 1.20 0.00 0.00 173.24 175.34 1mw3 n ASN 96 N 1.45 0.00 0.21 5.45 6.94 -1.26 -1.87 115.26 126.17 1mw3 n ASN 96 Ca 0.02 0.50 0.07 0.00 -0.02 0.00 0.00 54.58 55.14 1mw3 n ASN 96 Cb 0.43 -0.50 0.44 0.00 -2.36 0.00 0.00 39.78 37.78 1mw3 n ASN 96 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1mw3 h LYS 97 N 0.00 0.00 -6.45 -3.83 1.79 -1.82 -3.28 116.57 102.99 1mw3 h LYS 97 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1mw3 h LYS 97 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1mw3 h LYS 97 CO 0.00 0.31 0.46 -0.65 -1.08 0.00 0.00 179.45 178.49 1mw3 s GLN 98 N -3.88 4.50 -0.14 3.15 -1.52 -0.78 -4.83 119.66 116.15 1mw3 s GLN 98 Ca -0.01 1.59 -0.05 0.00 -1.95 0.00 0.00 55.36 54.94 1mw3 s GLN 98 Cb 0.12 -3.40 0.07 0.00 -0.22 0.00 0.00 33.01 29.58 1mw3 s GLN 98 CO 0.67 -0.15 0.26 0.08 -0.25 0.00 0.00 175.29 175.90 1mw3 s VAL 99 N 1.03 -0.41 0.35 1.09 1.01 -1.26 -4.42 120.40 117.79 1mw3 s VAL 99 Ca 0.55 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1mw3 s VAL 99 Cb -0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1mw3 s VAL 99 CO 0.29 0.09 0.39 -0.83 0.00 0.00 0.00 175.10 175.03 1mw3 s GLY 100 N 2.42 1.79 0.04 4.51 0.00 0.56 -0.87 107.32 115.76 1mw3 s GLY 100 Ca 0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 1mw3 s GLY 100 CO -0.09 -1.52 0.06 -0.32 0.00 0.00 0.00 173.10 171.23 1mw3 s GLY 101 N -4.11 0.25 0.00 0.20 0.00 0.71 -0.79 107.32 103.58 1mw3 s GLY 101 Ca 0.45 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1mw3 s GLY 101 CO 0.29 -0.86 -0.01 0.54 0.00 0.00 0.00 173.10 173.06 1mw3 s VAL 102 N -2.91 0.09 0.18 1.40 0.11 -0.66 -0.28 120.40 118.33 1mw3 s VAL 102 Ca -0.02 -0.16 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 1mw3 s VAL 102 Cb 0.01 -0.10 0.06 0.00 -1.53 0.00 0.00 36.38 34.81 1mw3 s VAL 102 CO -0.06 -0.05 0.62 0.00 -3.33 0.00 0.00 175.10 172.29 1mw3 s TYR 104 N -3.78 3.67 0.13 0.00 1.51 -1.26 -1.96 117.35 115.66 1mw3 s TYR 104 Ca 0.03 1.16 -0.18 0.00 -1.01 0.00 0.00 57.07 57.07 1mw3 s TYR 104 Cb -0.02 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.22 1mw3 s TYR 104 CO -0.09 0.36 1.76 0.28 -1.11 0.00 0.00 175.55 176.75 1mw3 h VAL 105 N 4.15 1.11 -0.08 0.71 2.07 -1.94 -1.27 116.25 121.00 1mw3 h VAL 105 Ca -0.45 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1mw3 h VAL 105 Cb 1.20 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1mw3 h VAL 105 CO 0.69 0.11 0.00 -2.24 0.02 0.00 0.00 177.57 176.15 1mw3 h ASP 106 N 0.40 0.13 -0.41 0.57 2.03 -1.89 0.21 116.42 117.46 1mw3 h ASP 106 Ca 0.11 -0.31 -0.12 0.00 -0.73 0.00 0.00 57.03 55.98 1mw3 h ASP 106 Cb 0.01 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.46 1mw3 h ASP 106 CO -0.02 0.41 -0.20 -0.07 -1.03 0.00 0.00 179.24 178.32 1mw3 h LEU 107 N -0.14 0.92 0.07 0.15 3.38 -1.86 -0.95 115.31 116.87 1mw3 h LEU 107 Ca 0.02 -0.34 -0.30 0.00 0.09 0.00 0.00 57.88 57.36 1mw3 h LEU 107 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1mw3 h LEU 107 CO 0.00 1.09 -1.61 0.15 0.09 0.00 0.00 178.44 178.17 1mw3 h PHE 108 N 0.79 0.26 0.00 1.13 3.57 -1.27 0.24 116.94 121.65 1mw3 h PHE 108 Ca 0.11 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1mw3 h PHE 108 Cb 0.75 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1mw3 h PHE 108 CO 0.05 1.28 -0.35 0.00 -2.23 0.00 0.00 178.31 177.05 1mw3 n ALA 109 N -2.65 1.72 0.00 2.41 0.00 0.67 -4.55 120.51 118.11 1mw3 n ALA 109 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1mw3 n ALA 109 Cb 1.04 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1mw3 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mw3 n GLY 110 N 0.00 1.58 2.61 0.00 0.00 -0.36 -3.93 105.19 105.08 1mw3 n GLY 110 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1mw3 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mw3 n ASP 111 N 3.60 -1.33 -0.24 1.61 5.68 -1.25 -4.12 116.55 120.50 1mw3 n ASP 111 Ca 0.00 -2.28 -0.05 0.00 -0.50 0.00 0.00 54.79 51.96 1mw3 n ASP 111 Cb 0.00 2.32 0.06 0.00 -1.14 0.00 0.00 41.12 42.36 1mw3 n ASP 111 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1mw3 h LEU 112 N 0.00 0.75 -0.82 -2.12 3.38 -1.51 0.23 115.31 115.22 1mw3 h LEU 112 Ca -0.22 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1mw3 h LEU 112 Cb 0.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1mw3 h LEU 112 CO 0.29 0.54 0.17 0.11 0.09 0.00 0.00 178.44 179.63 1mw3 h LYS 113 N 0.89 1.05 -0.60 1.13 1.57 -1.92 0.96 116.57 119.65 1mw3 h LYS 113 Ca 0.26 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1mw3 h LYS 113 Cb -0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1mw3 h LYS 113 CO -0.07 0.92 0.16 0.78 -0.57 0.00 0.00 179.45 180.67 1mw3 h GLY 114 N 1.06 1.00 0.90 3.86 0.00 -1.51 -2.23 103.07 106.14 1mw3 h GLY 114 Ca 0.21 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1mw3 h GLY 114 CO -0.00 0.54 0.02 -2.00 0.00 0.00 0.00 176.54 175.11 1mw3 h LEU 115 N 0.89 0.53 -1.42 3.11 7.12 0.25 -2.70 115.31 123.09 1mw3 h LEU 115 Ca 0.20 -0.29 0.11 0.00 0.13 0.00 0.00 57.88 58.03 1mw3 h LEU 115 Cb 0.30 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.24 1mw3 h LEU 115 CO -0.00 0.69 0.50 0.50 -0.13 0.00 0.00 178.44 179.99 1mw3 h LYS 116 N 0.36 0.61 0.00 1.25 3.64 -0.44 0.14 116.57 122.12 1mw3 h LYS 116 Ca 0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1mw3 h LYS 116 Cb 0.40 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mw3 h LYS 116 CO 0.01 0.40 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.10 1mw3 h ASP 117 N 0.63 0.00 0.55 4.20 3.32 -1.10 -2.85 116.42 121.17 1mw3 h ASP 117 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1mw3 h ASP 117 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1mw3 h ASP 117 CO -0.13 0.06 -0.17 0.29 -1.72 0.00 0.00 179.24 177.57 1mw3 n LYS 118 N -3.17 0.37 -0.31 3.56 4.76 0.47 -4.11 118.16 119.74 1mw3 n LYS 118 Ca 0.01 -0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.44 1mw3 n LYS 118 Cb 0.36 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.39 1mw3 n LYS 118 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1mw3 h ILE 119 N 0.31 0.82 -0.31 -0.18 2.04 -1.37 0.13 117.51 118.96 1mw3 h ILE 119 Ca 0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1mw3 h ILE 119 Cb 0.42 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1mw3 h ILE 119 CO 0.00 0.14 0.17 -0.65 0.00 0.00 0.00 178.15 177.81 1mw3 h PRO 120 N 0.77 0.42 -0.50 2.37 0.11 -1.82 -1.27 132.00 132.08 1mw3 h PRO 120 Ca 0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.48 1mw3 h PRO 120 Cb 0.72 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1mw3 h PRO 120 CO -0.26 0.31 -0.04 -0.92 -0.21 0.00 0.00 178.00 176.88 1mw3 h TYR 121 N 0.43 1.00 -0.52 0.65 3.20 -1.03 -0.76 116.97 119.93 1mw3 h TYR 121 Ca 0.11 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1mw3 h TYR 121 Cb 0.01 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 1mw3 h TYR 121 CO 0.00 0.94 0.20 0.74 -1.64 0.00 0.00 178.16 178.41 1mw3 h PHE 122 N 0.76 0.75 -0.23 -3.82 0.04 -0.85 0.66 116.94 114.24 1mw3 h PHE 122 Ca 0.14 -0.04 -0.18 0.00 2.80 0.00 0.00 57.97 60.68 1mw3 h PHE 122 Cb 0.57 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1mw3 h PHE 122 CO 0.04 0.59 -0.59 1.96 -0.60 0.00 0.00 178.31 179.72 1mw3 h GLN 123 N 0.74 0.76 -0.71 1.51 4.20 -1.05 -0.13 115.11 120.43 1mw3 h GLN 123 Ca 0.18 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.41 1mw3 h GLN 123 Cb 0.16 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1mw3 h GLN 123 CO -0.02 1.12 0.46 1.49 -0.67 0.00 0.00 178.83 181.22 1mw3 h GLU 124 N 0.57 0.90 -0.00 1.46 4.81 -0.38 -1.20 114.58 120.74 1mw3 h GLU 124 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1mw3 h GLU 124 Cb 1.18 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1mw3 h GLU 124 CO 0.12 0.60 -0.44 1.25 -0.73 0.00 0.00 179.01 179.81 1mw3 h LEU 125 N 0.93 0.01 0.00 1.64 5.85 -0.75 -3.47 115.31 119.52 1mw3 h LEU 125 Ca 0.27 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1mw3 h LEU 125 Cb -0.06 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1mw3 h LEU 125 CO -0.08 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 1mw3 n GLY 126 N -0.25 1.08 3.77 3.75 0.00 -0.45 -4.91 105.19 108.18 1mw3 n GLY 126 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1mw3 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mw3 s LEU 127 N 0.00 3.97 0.00 0.99 1.43 -0.18 -4.68 118.68 120.22 1mw3 s LEU 127 Ca 0.00 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1mw3 s LEU 127 Cb 0.00 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1mw3 s LEU 127 CO 0.00 -1.02 0.42 0.35 0.23 0.00 0.00 176.35 176.33 1mw3 n THR 128 N -0.61 0.18 -3.69 5.49 -2.24 -0.05 -4.71 114.28 108.65 1mw3 n THR 128 Ca 0.08 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1mw3 n THR 128 Cb 0.48 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.85 1mw3 n THR 128 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mw3 s TYR 129 N -0.18 -0.62 -0.10 4.78 6.14 -1.15 -1.25 117.35 124.97 1mw3 s TYR 129 Ca 0.00 1.30 -0.02 0.00 0.64 0.00 0.00 57.07 58.99 1mw3 s TYR 129 Cb 0.00 0.25 0.04 0.00 0.42 0.00 0.00 41.96 42.67 1mw3 s TYR 129 CO 0.00 -0.37 0.01 -1.17 0.64 0.00 0.00 175.55 174.66 1mw3 s LEU 130 N 1.71 0.70 -0.23 6.97 2.96 -0.48 -0.21 118.68 130.10 1mw3 s LEU 130 Ca -0.07 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1mw3 s LEU 130 Cb -0.09 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1mw3 s LEU 130 CO -0.12 -0.22 0.36 -2.28 -1.32 0.00 0.00 176.35 172.76 1mw3 s HIS 131 N 1.96 3.33 -0.18 5.38 5.65 0.61 -1.19 115.29 130.85 1mw3 s HIS 131 Ca 0.04 0.50 -0.07 0.00 0.25 0.00 0.00 55.06 55.78 1mw3 s HIS 131 Cb -0.13 -2.51 -0.04 0.00 -1.18 0.00 0.00 32.58 28.72 1mw3 s HIS 131 CO -0.06 -0.07 0.05 -0.51 -0.65 0.00 0.00 174.74 173.50 1mw3 s LEU 132 N 1.52 3.70 0.98 8.88 1.43 -0.28 -1.76 118.68 133.15 1mw3 s LEU 132 Ca 0.16 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1mw3 s LEU 132 Cb -0.15 -1.93 0.18 0.00 0.03 0.00 0.00 46.19 44.32 1mw3 s LEU 132 CO 0.08 0.16 1.10 -0.04 0.23 0.00 0.00 176.35 177.88 1mw3 s MET 133 N 0.43 0.52 -0.28 1.70 -1.94 -0.83 -4.39 119.30 114.51 1mw3 s MET 133 Ca 0.02 1.17 -0.25 0.00 -1.71 0.00 0.00 55.69 54.92 1mw3 s MET 133 Cb -0.13 -1.70 -0.11 0.00 2.01 0.00 0.00 34.83 34.91 1mw3 s MET 133 CO 0.01 -2.85 1.07 -2.30 -0.01 0.00 0.00 175.02 170.94 1mw3 n PRO 134 N -4.34 0.00 -0.01 2.03 -0.02 -1.26 -4.78 135.00 126.61 1mw3 n PRO 134 Ca 0.08 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1mw3 n PRO 134 Cb 0.53 -0.84 -0.16 0.00 -0.02 0.00 0.00 33.50 33.01 1mw3 n PRO 134 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mw3 n LEU 135 N 3.39 0.12 -4.93 2.45 4.77 -1.26 -4.85 117.00 116.69 1mw3 n LEU 135 Ca 0.25 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.92 1mw3 n LEU 135 Cb -0.03 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1mw3 n LEU 135 CO 0.50 0.03 0.49 -0.36 -1.33 0.00 0.00 177.39 176.72 1mw3 s PHE 136 N -3.42 3.18 0.19 -1.77 0.08 -1.26 -0.32 117.98 114.66 1mw3 s PHE 136 Ca -0.06 0.51 -0.32 0.00 0.12 0.00 0.00 56.93 57.18 1mw3 s PHE 136 Cb 0.14 -2.72 -0.15 0.00 -0.57 0.00 0.00 43.02 39.72 1mw3 s PHE 136 CO 0.89 -0.82 1.17 1.17 -0.10 0.00 0.00 175.22 177.53 1mw3 n LYS 137 N -2.52 1.27 -4.02 0.44 4.81 0.17 -4.21 118.16 114.09 1mw3 n LYS 137 Ca 0.05 0.45 -0.10 0.00 -0.87 0.00 0.00 58.31 57.84 1mw3 n LYS 137 Cb 0.58 -1.95 -0.06 0.00 0.02 0.00 0.00 35.03 33.62 1mw3 n LYS 137 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mw3 s PRO 139 N -4.03 3.92 0.41 0.00 0.02 -1.26 -4.90 135.00 129.16 1mw3 s PRO 139 Ca 0.24 2.53 -0.25 0.00 0.02 0.00 0.00 61.00 63.55 1mw3 s PRO 139 Cb 0.01 -2.83 -0.08 0.00 0.02 0.00 0.00 34.50 31.62 1mw3 s PRO 139 CO 0.08 -0.68 1.21 -1.21 -0.33 0.00 0.00 177.00 176.07 1mw3 s GLU 140 N -2.26 3.96 1.86 5.54 2.02 -1.26 -4.34 118.70 124.22 1mw3 s GLU 140 Ca 0.56 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1mw3 s GLU 140 Cb -0.46 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1mw3 s GLU 140 CO 0.61 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1mw3 n GLY 141 N 0.63 1.51 3.48 -1.39 0.00 -1.26 -4.83 105.19 103.32 1mw3 n GLY 141 Ca 0.05 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1mw3 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mw3 s LYS 142 N 0.00 3.73 0.00 1.61 1.02 -1.26 -4.90 119.74 119.93 1mw3 s LYS 142 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1mw3 s LYS 142 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1mw3 s LYS 142 CO 0.00 -0.17 0.94 -1.13 -0.92 0.00 0.00 175.35 174.07 1mw3 n SER 143 N 4.89 0.00 -3.59 2.83 3.41 -1.26 -4.71 113.62 115.19 1mw3 n SER 143 Ca -0.16 -1.88 -0.20 0.00 -0.26 0.00 0.00 58.87 56.38 1mw3 n SER 143 Cb 0.52 -0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1mw3 n SER 143 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1mw3 n ASP 144 N 0.00 -1.84 -3.31 4.04 2.03 -1.26 -1.27 116.55 114.94 1mw3 n ASP 144 Ca 0.00 -0.76 -0.24 0.00 0.52 0.00 0.00 54.79 54.31 1mw3 n ASP 144 Cb 0.68 -4.42 0.03 0.00 -0.72 0.00 0.00 41.12 36.68 1mw3 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mw3 n GLY 145 N -1.42 -0.51 1.04 0.27 0.00 -1.26 -1.48 105.19 101.83 1mw3 n GLY 145 Ca -0.28 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1mw3 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw3 n GLY 146 N -1.51 0.95 0.00 -0.02 0.00 -0.81 -4.63 105.19 99.17 1mw3 n GLY 146 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1mw3 n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mw3 n TYR 147 N -2.00 0.00 -3.56 1.61 4.02 -0.55 -4.29 117.16 112.39 1mw3 n TYR 147 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1mw3 n TYR 147 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1mw3 n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mw3 s ALA 148 N -2.00 3.70 -0.05 -0.72 0.00 -0.40 -4.86 121.76 117.44 1mw3 s ALA 148 Ca 0.31 -3.13 -0.29 0.00 0.00 0.00 0.00 51.96 48.86 1mw3 s ALA 148 Cb 0.14 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1mw3 s ALA 148 CO 0.24 -2.12 0.96 0.08 0.00 0.00 0.00 175.76 174.92 1mw3 s VAL 149 N 0.31 4.86 -0.78 0.00 1.01 -1.26 -4.10 120.40 120.44 1mw3 s VAL 149 Ca 0.15 1.98 0.16 0.00 0.00 0.00 0.00 61.98 64.27 1mw3 s VAL 149 Cb -0.18 -4.29 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 1mw3 s VAL 149 CO -0.05 0.11 0.70 -1.20 0.00 0.00 0.00 175.10 174.67 1mw3 n SER 150 N 4.30 0.78 -3.50 3.32 7.64 -0.10 0.25 113.62 126.32 1mw3 n SER 150 Ca 0.06 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1mw3 n SER 150 Cb 0.50 1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.66 1mw3 n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1mw3 s SER 151 N -2.55 -0.69 0.00 6.43 0.15 -1.17 -4.28 113.70 111.59 1mw3 s SER 151 Ca 0.06 0.97 0.31 0.00 0.70 0.00 0.00 55.95 57.99 1mw3 s SER 151 Cb 0.12 1.70 1.75 0.00 -1.71 0.00 0.00 66.02 67.88 1mw3 s SER 151 CO 0.67 -0.14 2.14 -1.22 1.20 0.00 0.00 173.24 175.90 1mw3 n TYR 152 N 4.83 0.00 0.00 3.44 4.02 -1.26 -3.77 117.16 124.42 1mw3 n TYR 152 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1mw3 n TYR 152 Cb 0.53 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1mw3 n TYR 152 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1mw3 n ARG 153 N -0.87 2.61 -3.26 -0.72 1.74 -1.26 -4.97 116.66 109.93 1mw3 n ARG 153 Ca 0.22 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.89 1mw3 n ARG 153 Cb 0.16 -0.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.80 1mw3 n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mw3 s ASP 154 N -1.18 6.31 0.42 0.55 1.01 -1.26 -4.86 116.67 117.67 1mw3 s ASP 154 Ca 0.00 0.02 -0.25 0.00 0.71 0.00 0.00 52.55 53.02 1mw3 s ASP 154 Cb 0.00 -2.26 -0.08 0.00 1.01 0.00 0.00 42.92 41.59 1mw3 s ASP 154 CO 0.00 -0.44 1.29 -0.69 0.21 0.00 0.00 175.17 175.54 1mw3 s VAL 155 N 2.34 2.66 -0.16 -1.27 1.01 -1.26 0.44 120.40 124.16 1mw3 s VAL 155 Ca 0.18 0.58 -0.32 0.00 0.00 0.00 0.00 61.98 62.42 1mw3 s VAL 155 Cb -0.16 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1mw3 s VAL 155 CO 0.13 0.07 2.06 -3.20 0.00 0.00 0.00 175.10 174.15 1mw3 n ASN 156 N 0.01 3.23 -0.27 3.32 2.85 0.57 -4.34 115.26 120.62 1mw3 n ASN 156 Ca 0.04 0.63 0.29 0.00 -0.11 0.00 0.00 54.58 55.43 1mw3 n ASN 156 Cb 0.44 -1.42 0.66 0.00 1.24 0.00 0.00 39.78 40.69 1mw3 n ASN 156 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mw3 h PRO 157 N 11.75 0.14 0.00 1.20 0.13 -1.89 0.26 132.00 143.58 1mw3 h PRO 157 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1mw3 h PRO 157 Cb 1.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mw3 h PRO 157 CO 0.97 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1mw3 h ALA 158 N 1.52 1.00 0.00 -0.56 0.00 -1.97 -2.82 119.26 116.43 1mw3 h ALA 158 Ca 0.53 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.23 1mw3 h ALA 158 Cb 1.81 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1mw3 h ALA 158 CO -0.10 0.00 -2.13 1.28 0.00 0.00 0.00 179.25 178.30 1mw3 n LEU 159 N -2.84 0.09 0.00 0.00 4.77 0.89 -4.78 117.00 115.13 1mw3 n LEU 159 Ca -0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1mw3 n LEU 159 Cb 0.20 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1mw3 n LEU 159 CO 0.22 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1mw3 n GLY 160 N 1.52 0.54 3.57 -0.72 0.00 -1.06 -1.34 105.19 107.71 1mw3 n GLY 160 Ca -0.19 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1mw3 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw3 s THR 161 N -4.00 2.03 0.38 2.61 -4.23 -1.26 -4.22 115.64 106.94 1mw3 s THR 161 Ca 0.00 -2.08 0.39 0.00 -1.18 0.00 0.00 61.69 58.81 1mw3 s THR 161 Cb 0.00 -2.83 0.40 0.00 1.34 0.00 0.00 72.50 71.41 1mw3 s THR 161 CO 0.00 -0.09 2.17 -0.29 -0.54 0.00 0.00 174.62 175.87 1mw3 h ILE 162 N 1.91 0.00 -0.04 2.99 6.09 -1.91 -1.13 117.51 125.42 1mw3 h ILE 162 Ca -0.43 -0.14 -0.19 0.00 -1.37 0.00 0.00 64.86 62.74 1mw3 h ILE 162 Cb 1.24 1.07 0.01 0.00 0.47 0.00 0.00 36.82 39.61 1mw3 h ILE 162 CO 0.76 0.00 -0.71 1.23 -3.07 0.00 0.00 178.15 176.36 1mw3 h GLY 163 N 0.61 0.61 1.13 8.18 0.00 -1.99 -2.79 103.07 108.82 1mw3 h GLY 163 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 47.33 46.30 1mw3 h GLY 163 CO 0.00 0.88 0.31 -0.55 0.00 0.00 0.00 176.54 177.18 1mw3 h ASP 164 N 0.14 1.02 -0.84 0.19 3.32 -1.60 -2.53 116.42 116.11 1mw3 h ASP 164 Ca -0.08 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1mw3 h ASP 164 Cb 1.38 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1mw3 h ASP 164 CO 0.14 0.89 0.51 0.25 -1.72 0.00 0.00 179.24 179.32 1mw3 h LEU 165 N 1.09 1.01 -0.89 1.55 5.85 -1.46 0.20 115.31 122.66 1mw3 h LEU 165 Ca 0.25 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1mw3 h LEU 165 Cb 0.19 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1mw3 h LEU 165 CO -0.02 0.78 0.44 0.03 -0.34 0.00 0.00 178.44 179.33 1mw3 h ARG 166 N 1.16 1.24 -0.50 1.25 3.08 -1.18 -0.26 114.38 119.17 1mw3 h ARG 166 Ca 0.30 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1mw3 h ARG 166 Cb -0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 1mw3 h ARG 166 CO -0.06 0.93 -0.15 0.93 -1.07 0.00 0.00 179.97 180.56 1mw3 h GLU 167 N 1.23 0.98 -0.29 0.04 5.08 -1.01 -1.32 114.58 119.30 1mw3 h GLU 167 Ca 0.30 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1mw3 h GLU 167 Cb 0.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1mw3 h GLU 167 CO -0.04 1.06 0.14 0.28 -1.00 0.00 0.00 179.01 179.46 1mw3 h VAL 168 N 0.84 1.15 -0.83 3.13 2.07 -0.51 0.18 116.25 122.29 1mw3 h VAL 168 Ca 0.12 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1mw3 h VAL 168 Cb 0.72 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1mw3 h VAL 168 CO 0.05 0.15 0.37 0.40 0.02 0.00 0.00 177.57 178.57 1mw3 h ILE 169 N 0.34 1.26 -0.36 4.57 2.04 -0.95 0.13 117.51 124.54 1mw3 h ILE 169 Ca 0.10 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.06 1mw3 h ILE 169 Cb 0.11 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1mw3 h ILE 169 CO -0.01 0.32 -0.36 0.00 0.00 0.00 0.00 178.15 178.09 1mw3 h ALA 170 N 1.22 0.68 -0.38 1.87 0.00 -0.94 -2.10 119.26 119.62 1mw3 h ALA 170 Ca 0.28 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1mw3 h ALA 170 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mw3 h ALA 170 CO -0.03 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.88 1mw3 h ALA 171 N 0.90 0.52 -0.25 0.00 0.00 -0.25 -1.37 119.26 118.80 1mw3 h ALA 171 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1mw3 h ALA 171 Cb 0.92 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1mw3 h ALA 171 CO 0.09 0.29 -0.02 -0.07 0.00 0.00 0.00 179.25 179.53 1mw3 h LEU 172 N 0.50 -0.15 -1.20 0.00 3.38 -0.63 -1.00 115.31 116.20 1mw3 h LEU 172 Ca 0.11 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1mw3 h LEU 172 Cb 0.47 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1mw3 h LEU 172 CO 0.02 -0.04 0.55 0.45 0.09 0.00 0.00 178.44 179.51 1mw3 h HIS 173 N 0.05 1.00 -0.07 1.13 3.86 -1.21 0.10 115.15 120.01 1mw3 h HIS 173 Ca 0.12 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1mw3 h HIS 173 Cb 0.17 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1mw3 h HIS 173 CO -0.22 0.57 -0.12 1.49 0.86 0.00 0.00 177.93 180.51 1mw3 h GLU 174 N 1.03 0.10 -0.20 2.45 4.57 -0.06 -1.24 114.58 121.22 1mw3 h GLU 174 Ca 0.34 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1mw3 h GLU 174 Cb 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1mw3 h GLU 174 CO -0.10 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 177.96 1mw3 n ALA 175 N -2.50 2.51 -2.50 2.92 0.00 -0.17 -4.91 120.51 115.86 1mw3 n ALA 175 Ca -0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 1mw3 n ALA 175 Cb 0.23 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1mw3 n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mw3 n GLY 176 N 1.14 0.50 3.09 0.00 0.00 -0.47 -4.97 105.19 104.47 1mw3 n GLY 176 Ca 0.16 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1mw3 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mw3 s ILE 177 N -2.77 1.53 0.26 -0.61 1.01 0.17 -4.56 121.20 116.25 1mw3 s ILE 177 Ca 0.08 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1mw3 s ILE 177 Cb -0.03 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 40.97 1mw3 s ILE 177 CO 0.09 0.45 1.00 -0.44 0.00 0.00 0.00 174.94 176.04 1mw3 s SER 178 N 0.70 7.47 -0.19 3.58 0.01 -0.38 -3.12 113.70 121.77 1mw3 s SER 178 Ca -0.13 2.07 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 1mw3 s SER 178 Cb -0.16 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1mw3 s SER 178 CO 0.03 0.02 0.39 0.00 0.41 0.00 0.00 173.24 174.09 1mw3 s ALA 179 N -1.21 3.55 -0.13 1.44 0.00 -1.26 -1.38 121.76 122.77 1mw3 s ALA 179 Ca 0.43 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1mw3 s ALA 179 Cb -0.28 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1mw3 s ALA 179 CO 0.35 -0.20 -0.17 0.08 0.00 0.00 0.00 175.76 175.81 1mw3 s VAL 180 N 1.10 1.73 0.19 0.00 1.01 -0.33 -0.71 120.40 123.38 1mw3 s VAL 180 Ca 0.19 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1mw3 s VAL 180 Cb -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1mw3 s VAL 180 CO 0.08 0.49 -0.02 0.68 0.00 0.00 0.00 175.10 176.32 1mw3 s VAL 181 N 1.10 0.90 0.30 2.92 -7.23 -0.97 -1.13 120.40 116.29 1mw3 s VAL 181 Ca -0.03 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.86 1mw3 s VAL 181 Cb -0.14 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 1mw3 s VAL 181 CO -0.05 -0.47 0.95 -1.81 -0.31 0.00 0.00 175.10 173.41 1mw3 s ASP 182 N -3.22 7.40 -0.52 4.85 1.11 -1.26 -0.63 116.67 124.41 1mw3 s ASP 182 Ca 0.24 1.89 0.03 0.00 0.18 0.00 0.00 52.55 54.89 1mw3 s ASP 182 Cb 0.05 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.58 1mw3 s ASP 182 CO 0.05 -0.02 0.26 0.12 1.18 0.00 0.00 175.17 176.76 1mw3 s PHE 183 N -1.48 3.28 -1.29 4.23 5.36 0.37 -4.80 117.98 123.66 1mw3 s PHE 183 Ca 0.48 -3.08 -0.14 0.00 -0.96 0.00 0.00 56.93 53.22 1mw3 s PHE 183 Cb -0.21 -2.90 0.12 0.00 -0.34 0.00 0.00 43.02 39.69 1mw3 s PHE 183 CO 0.27 -0.78 1.73 -0.89 -1.46 0.00 0.00 175.22 174.09 1mw3 n ILE 184 N 3.30 4.06 1.33 3.12 5.41 -1.26 -2.31 119.36 133.01 1mw3 n ILE 184 Ca 0.05 -4.22 0.13 0.00 1.00 0.00 0.00 62.75 59.72 1mw3 n ILE 184 Cb 0.34 -2.43 0.39 0.00 -0.71 0.00 0.00 39.64 37.23 1mw3 n ILE 184 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1mw3 n PHE 185 N 6.23 0.00 0.13 1.39 -1.74 -1.26 -4.20 117.46 118.02 1mw3 n PHE 185 Ca 0.43 -0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.44 1mw3 n PHE 185 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 1mw3 n PHE 185 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1mw3 n ASN 186 N 0.55 0.71 -3.47 5.98 2.85 -1.26 -4.79 115.26 115.84 1mw3 n ASN 186 Ca 0.17 0.25 -0.10 0.00 -0.11 0.00 0.00 54.58 54.79 1mw3 n ASN 186 Cb 0.43 0.67 -0.02 0.00 1.24 0.00 0.00 39.78 42.11 1mw3 n ASN 186 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1mw3 s HIS 187 N -3.37 -0.44 0.37 1.20 -3.43 -1.26 -0.17 115.29 108.19 1mw3 s HIS 187 Ca -0.01 0.26 0.04 0.00 -0.80 0.00 0.00 55.06 54.55 1mw3 s HIS 187 Cb 0.11 0.55 -0.06 0.00 -1.43 0.00 0.00 32.58 31.75 1mw3 s HIS 187 CO 0.81 -0.70 0.05 0.95 -2.00 0.00 0.00 174.74 173.85 1mw3 s THR 188 N -3.43 1.31 0.78 -5.38 -4.23 -0.83 -4.70 115.64 99.16 1mw3 s THR 188 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1mw3 s THR 188 Cb -0.01 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1mw3 s THR 188 CO -0.11 0.00 1.08 -0.94 -0.54 0.00 0.00 174.62 174.12 1mw3 s SER 189 N -3.59 4.58 0.00 3.99 1.04 0.14 -0.45 113.70 119.41 1mw3 s SER 189 Ca 0.32 1.50 0.23 0.00 0.48 0.00 0.00 55.95 58.48 1mw3 s SER 189 Cb 0.08 -2.26 1.38 0.00 0.10 0.00 0.00 66.02 65.31 1mw3 s SER 189 CO 0.15 -1.94 1.81 -0.46 0.98 0.00 0.00 173.24 173.78 1mw3 n ASN 190 N -3.43 0.00 -0.73 7.02 6.94 -0.04 -2.29 115.26 122.72 1mw3 n ASN 190 Ca 0.07 -1.02 0.08 0.00 -0.02 0.00 0.00 54.58 53.70 1mw3 n ASN 190 Cb 0.55 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.07 1mw3 n ASN 190 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1mw3 n GLU 191 N -0.91 1.64 -2.27 -3.83 1.02 -1.26 -4.47 120.64 110.56 1mw3 n GLU 191 Ca 0.17 -1.67 -0.38 0.00 -0.02 0.00 0.00 57.16 55.26 1mw3 n GLU 191 Cb 0.08 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 1mw3 n GLU 191 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1mw3 s HIS 192 N -1.30 2.96 0.25 -0.32 2.46 -0.97 -4.85 115.29 113.52 1mw3 s HIS 192 Ca 0.23 1.54 -0.03 0.00 0.47 0.00 0.00 55.06 57.27 1mw3 s HIS 192 Cb 0.15 -3.39 0.46 0.00 -0.13 0.00 0.00 32.58 29.67 1mw3 s HIS 192 CO 0.21 -1.43 1.77 1.49 -2.47 0.00 0.00 174.74 174.31 1mw3 h GLU 193 N 2.32 0.61 -0.31 2.88 4.81 -1.91 -1.09 114.58 121.88 1mw3 h GLU 193 Ca -0.49 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.74 1mw3 h GLU 193 Cb 1.24 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1mw3 h GLU 193 CO 0.61 0.40 0.09 -1.49 -0.73 0.00 0.00 179.01 177.89 1mw3 h TRP 194 N 0.62 0.16 -0.43 0.92 6.55 -1.94 0.99 115.95 122.83 1mw3 h TRP 194 Ca 0.42 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.27 1mw3 h TRP 194 Cb 0.54 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.80 1mw3 h TRP 194 CO -0.10 0.06 0.21 0.00 -1.05 0.00 0.00 178.44 177.56 1mw3 h ALA 195 N 1.21 0.55 0.08 1.49 0.00 -1.68 0.20 119.26 121.10 1mw3 h ALA 195 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mw3 h ALA 195 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mw3 h ALA 195 CO -0.16 0.10 -0.04 1.96 0.00 0.00 0.00 179.25 181.11 1mw3 h GLN 196 N 0.55 -0.11 -0.19 0.00 4.20 -0.81 -0.91 115.11 117.83 1mw3 h GLN 196 Ca 0.15 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1mw3 h GLN 196 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1mw3 h GLN 196 CO -0.02 -0.04 -0.30 0.00 -0.67 0.00 0.00 178.83 177.80 1mw3 h ARG 197 N -0.15 0.38 -0.28 1.46 3.08 -0.72 -1.48 114.38 116.67 1mw3 h ARG 197 Ca -0.01 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1mw3 h ARG 197 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1mw3 h ARG 197 CO 0.02 0.65 -0.11 0.00 -1.07 0.00 0.00 179.97 179.46 1mw3 h ALA 199 N 0.75 1.10 -0.00 0.00 0.00 -1.05 -2.61 119.26 117.45 1mw3 h ALA 199 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1mw3 h ALA 199 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1mw3 h ALA 199 CO 0.04 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 1mw3 n ALA 200 N -2.33 2.44 -0.29 0.00 0.00 -0.57 -4.91 120.51 114.85 1mw3 n ALA 200 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1mw3 n ALA 200 Cb 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1mw3 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mw3 n GLY 201 N 1.41 0.85 3.64 0.00 0.00 -0.98 -5.03 105.19 105.08 1mw3 n GLY 201 Ca 0.10 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mw3 n GLY 201 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mw3 s ASP 202 N -2.07 6.28 0.58 1.61 -1.08 0.07 -4.85 116.67 117.21 1mw3 s ASP 202 Ca 0.00 2.20 0.28 0.00 -0.52 0.00 0.00 52.55 54.51 1mw3 s ASP 202 Cb 0.00 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.55 1mw3 s ASP 202 CO 0.00 -1.26 2.09 1.55 0.52 0.00 0.00 175.17 178.07 1mw3 h PRO 203 N 11.32 0.00 0.00 4.34 0.13 -1.95 -0.31 132.00 145.53 1mw3 h PRO 203 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1mw3 h PRO 203 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1mw3 h PRO 203 CO 0.96 0.00 -0.25 1.25 -0.23 0.00 0.00 178.00 179.73 1mw3 h LEU 204 N 0.00 0.00 -3.15 1.56 5.85 -1.94 -2.96 115.31 114.67 1mw3 h LEU 204 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1mw3 h LEU 204 Cb 0.52 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1mw3 h LEU 204 CO -0.00 0.25 -0.26 0.49 -0.34 0.00 0.00 178.44 178.58 1mw3 n PHE 205 N -3.68 0.46 -2.31 1.25 3.01 -0.14 -5.03 117.46 111.02 1mw3 n PHE 205 Ca -0.01 -1.44 -0.40 0.00 1.01 0.00 0.00 57.45 56.61 1mw3 n PHE 205 Cb 0.37 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 1mw3 n PHE 205 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1mw3 s ASP 206 N -2.86 6.88 -1.42 4.37 2.15 -1.09 -3.20 116.67 121.50 1mw3 s ASP 206 Ca 0.40 2.42 -0.01 0.00 0.43 0.00 0.00 52.55 55.79 1mw3 s ASP 206 Cb 0.37 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1mw3 s ASP 206 CO -0.02 -0.43 0.14 -3.20 -0.17 0.00 0.00 175.17 171.49 1mw3 n ASN 207 N 0.71 -5.13 0.10 -0.34 5.15 -1.26 -4.88 115.26 109.61 1mw3 n ASN 207 Ca 0.01 -0.08 0.11 0.00 -0.60 0.00 0.00 54.58 54.02 1mw3 n ASN 207 Cb 0.44 -4.15 -0.00 0.00 -0.53 0.00 0.00 39.78 35.54 1mw3 n ASN 207 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1mw3 n PHE 208 N -4.10 0.97 -4.40 1.20 3.01 -1.19 -4.66 117.46 108.30 1mw3 n PHE 208 Ca -0.17 0.29 -0.22 0.00 1.01 0.00 0.00 57.45 58.35 1mw3 n PHE 208 Cb 0.64 -0.97 -0.07 0.00 -0.01 0.00 0.00 39.48 39.07 1mw3 n PHE 208 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1mw3 n TYR 209 N -2.69 -0.17 -3.61 1.38 4.02 -1.26 -0.14 117.16 114.69 1mw3 n TYR 209 Ca -0.00 -2.51 -0.40 0.00 -0.01 0.00 0.00 57.90 54.98 1mw3 n TYR 209 Cb 0.56 0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.88 1mw3 n TYR 209 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1mw3 s TYR 210 N -3.09 3.47 -0.08 -0.72 1.51 -1.25 -4.68 117.35 112.51 1mw3 s TYR 210 Ca 0.25 -2.05 0.03 0.00 -1.01 0.00 0.00 57.07 54.30 1mw3 s TYR 210 Cb 0.01 -3.43 -0.02 0.00 -0.11 0.00 0.00 41.96 38.42 1mw3 s TYR 210 CO 0.18 -0.98 -0.18 0.42 -1.11 0.00 0.00 175.55 173.88 1mw3 s ILE 211 N 1.21 2.65 0.19 2.71 1.01 -1.26 -1.04 121.20 126.67 1mw3 s ILE 211 Ca 0.07 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 59.99 1mw3 s ILE 211 Cb -0.25 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1mw3 s ILE 211 CO -0.02 0.56 -0.23 -0.36 0.00 0.00 0.00 174.94 174.89 1mw3 s PHE 212 N -0.11 2.34 -0.01 3.97 0.08 0.28 -4.96 117.98 119.57 1mw3 s PHE 212 Ca -0.03 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.89 1mw3 s PHE 212 Cb -0.14 -1.17 0.62 0.00 -0.57 0.00 0.00 43.02 41.77 1mw3 s PHE 212 CO 0.04 0.49 1.70 -1.00 -0.10 0.00 0.00 175.22 176.34 1mw3 h PRO 213 N 3.24 0.00 0.00 0.24 0.13 -1.94 0.46 132.00 134.14 1mw3 h PRO 213 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mw3 h PRO 213 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1mw3 h PRO 213 CO 0.48 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.12 1mw3 n ASP 214 N -3.30 0.00 -0.20 1.44 5.68 -1.26 -4.51 116.55 114.40 1mw3 n ASP 214 Ca 0.01 -0.50 0.15 0.00 -0.50 0.00 0.00 54.79 53.95 1mw3 n ASP 214 Cb 0.53 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.23 1mw3 n ASP 214 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1mw3 n ARG 215 N 0.00 1.17 0.20 0.11 5.12 -1.26 -4.38 116.66 117.62 1mw3 n ARG 215 Ca 0.00 -0.39 -0.16 0.00 -1.93 0.00 0.00 57.85 55.36 1mw3 n ARG 215 Cb 0.00 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 29.72 1mw3 n ARG 215 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1mw3 h ARG 216 N 0.96 -0.78 0.08 5.56 2.43 -1.99 0.32 114.38 120.97 1mw3 h ARG 216 Ca 0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1mw3 h ARG 216 Cb 0.25 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1mw3 h ARG 216 CO 0.00 -0.52 -0.04 0.52 -1.51 0.00 0.00 179.97 178.42 1mw3 h MET 217 N -0.81 -0.11 -0.60 0.20 2.86 -2.00 -2.68 114.93 111.79 1mw3 h MET 217 Ca -0.02 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1mw3 h MET 217 Cb 0.76 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.36 1mw3 h MET 217 CO -0.15 0.21 0.13 -1.35 1.06 0.00 0.00 176.91 176.81 1mw3 h PRO 218 N -0.42 0.26 -0.90 -0.22 0.11 -1.76 0.52 132.00 129.59 1mw3 h PRO 218 Ca -0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1mw3 h PRO 218 Cb 0.36 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.37 1mw3 h PRO 218 CO 0.02 0.17 0.59 -0.44 -0.21 0.00 0.00 178.00 178.13 1mw3 h ASP 219 N 0.27 1.02 -0.38 -2.05 5.19 -0.36 0.16 116.42 120.27 1mw3 h ASP 219 Ca 0.32 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.62 1mw3 h ASP 219 Cb 0.47 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1mw3 h ASP 219 CO -0.40 0.73 -0.10 1.56 -3.12 0.00 0.00 179.24 177.92 1mw3 h GLN 220 N 1.20 0.74 -0.26 3.56 4.20 -0.88 -3.13 115.11 120.54 1mw3 h GLN 220 Ca 0.33 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1mw3 h GLN 220 Cb -0.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1mw3 h GLN 220 CO -0.08 0.88 0.06 1.88 -0.67 0.00 0.00 178.83 180.91 1mw3 h TYR 221 N 0.54 0.43 -0.06 2.96 0.05 -0.56 -2.94 116.97 117.39 1mw3 h TYR 221 Ca 0.10 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.84 1mw3 h TYR 221 Cb 0.61 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1mw3 h TYR 221 CO 0.05 0.49 0.28 -0.44 -1.05 0.00 0.00 178.16 177.50 1mw3 h ASP 222 N 0.24 0.00 0.01 3.88 3.32 -0.65 -1.11 116.42 122.12 1mw3 h ASP 222 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1mw3 h ASP 222 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1mw3 h ASP 222 CO 0.00 0.00 -0.01 0.03 -1.72 0.00 0.00 179.24 177.54 1mw3 h ARG 223 N 0.00 0.00 0.00 3.56 3.08 -1.46 -3.11 114.38 116.45 1mw3 h ARG 223 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1mw3 h ARG 223 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1mw3 h ARG 223 CO -0.00 0.01 0.00 0.25 -1.07 0.00 0.00 179.97 179.16 1mw3 n THR 224 N -4.11 0.47 -3.23 2.04 -2.24 -0.43 -5.05 114.28 101.73 1mw3 n THR 224 Ca -0.03 -0.64 -0.39 0.00 -2.27 0.00 0.00 64.05 60.73 1mw3 n THR 224 Cb 0.09 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1mw3 n THR 224 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1mw3 s LEU 225 N -0.47 4.53 0.17 3.22 1.43 -1.12 -4.06 118.68 122.38 1mw3 s LEU 225 Ca 0.00 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.22 1mw3 s LEU 225 Cb 0.00 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1mw3 s LEU 225 CO 0.00 0.25 0.69 -0.60 0.23 0.00 0.00 176.35 176.92 1mw3 s ARG 226 N -1.17 4.28 -0.24 1.70 3.52 -1.26 -4.94 118.95 120.84 1mw3 s ARG 226 Ca 0.31 0.86 -0.16 0.00 -0.13 0.00 0.00 55.73 56.61 1mw3 s ARG 226 Cb -0.20 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1mw3 s ARG 226 CO 0.20 0.49 0.43 -1.21 -0.81 0.00 0.00 175.30 174.40 1mw3 s GLU 227 N -1.63 4.10 -0.13 5.12 2.02 -1.26 -4.85 118.70 122.06 1mw3 s GLU 227 Ca 0.38 0.20 -0.26 0.00 0.02 0.00 0.00 54.97 55.31 1mw3 s GLU 227 Cb -0.18 -3.61 -0.26 0.00 0.10 0.00 0.00 34.13 30.18 1mw3 s GLU 227 CO 0.21 -0.21 0.69 0.82 0.02 0.00 0.00 175.26 176.80 1mw3 h ILE 228 N 5.25 1.57 -2.28 -1.63 1.08 -1.87 -3.40 117.51 116.22 1mw3 h ILE 228 Ca -0.33 -2.36 -0.60 0.00 -0.39 0.00 0.00 64.86 61.19 1mw3 h ILE 228 Cb 1.16 3.14 -0.42 0.00 -3.07 0.00 0.00 36.82 37.63 1mw3 h ILE 228 CO 0.69 0.59 -0.65 0.49 -0.69 0.00 0.00 178.15 178.59 1mw3 n PHE 229 N -4.45 3.13 0.29 1.37 3.72 -1.26 -4.93 117.46 115.32 1mw3 n PHE 229 Ca -0.15 -4.10 0.18 0.00 -0.05 0.00 0.00 57.45 53.33 1mw3 n PHE 229 Cb 0.60 -0.53 0.96 0.00 -0.94 0.00 0.00 39.48 39.56 1mw3 n PHE 229 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1mw3 h PRO 230 N 4.33 0.00 -0.48 -1.08 0.13 -1.79 -0.14 132.00 132.97 1mw3 h PRO 230 Ca 0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1mw3 h PRO 230 Cb 0.70 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1mw3 h PRO 230 CO 0.78 0.00 0.18 -0.44 -0.23 0.00 0.00 178.00 178.29 1mw3 h ASP 231 N 0.00 0.63 0.11 1.44 5.19 -1.91 -3.22 116.42 118.66 1mw3 h ASP 231 Ca 0.03 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.22 1mw3 h ASP 231 Cb 0.35 -0.16 0.02 0.00 0.18 0.00 0.00 39.33 39.72 1mw3 h ASP 231 CO -0.00 0.58 -0.64 1.56 -3.12 0.00 0.00 179.24 177.62 1mw3 h GLN 232 N 0.69 0.23 -2.28 3.56 1.08 -1.41 -3.49 115.11 113.49 1mw3 h GLN 232 Ca 0.17 -0.40 0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1mw3 h GLN 232 Cb 0.16 0.15 -0.16 0.00 -0.05 0.00 0.00 27.48 27.58 1mw3 h GLN 232 CO -0.01 1.19 0.46 -3.38 -0.95 0.00 0.00 178.83 176.14 1mw3 s HIS 233 N -2.38 -0.38 0.50 2.96 -3.43 -1.16 -4.99 115.29 106.41 1mw3 s HIS 233 Ca -0.15 0.29 -0.11 0.00 -0.80 0.00 0.00 55.06 54.29 1mw3 s HIS 233 Cb 0.00 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.62 1mw3 s HIS 233 CO 0.80 -0.56 0.89 -1.25 -2.00 0.00 0.00 174.74 172.62 1mw3 s PRO 234 N -2.94 3.74 3.25 -0.38 0.04 -1.26 -4.26 135.00 133.18 1mw3 s PRO 234 Ca 0.03 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1mw3 s PRO 234 Cb -0.01 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1mw3 s PRO 234 CO -0.08 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1mw3 n GLY 235 N -1.88 1.07 0.43 0.56 0.00 -1.26 -4.09 105.19 100.01 1mw3 n GLY 235 Ca 0.04 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1mw3 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw3 n GLY 236 N 0.00 4.59 3.15 -0.02 0.00 -1.26 -4.78 105.19 106.86 1mw3 n GLY 236 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1mw3 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mw3 s PHE 237 N -2.76 1.00 0.05 1.61 0.40 -1.26 0.64 117.98 117.66 1mw3 s PHE 237 Ca 0.34 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 56.14 1mw3 s PHE 237 Cb 0.32 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 1mw3 s PHE 237 CO -0.03 -0.01 -0.14 -1.12 0.70 0.00 0.00 175.22 174.62 1mw3 s SER 238 N -2.05 1.61 -0.02 1.36 0.01 -0.42 -4.80 113.70 109.39 1mw3 s SER 238 Ca -0.00 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 1mw3 s SER 238 Cb -0.06 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 1mw3 s SER 238 CO 0.01 -0.00 0.41 -1.58 0.41 0.00 0.00 173.24 172.48 1mw3 s GLN 239 N -1.28 3.96 0.70 12.44 0.74 -1.26 -0.43 119.66 134.53 1mw3 s GLN 239 Ca 0.00 0.40 -0.06 0.00 0.05 0.00 0.00 55.36 55.75 1mw3 s GLN 239 Cb -0.08 -3.24 0.06 0.00 1.10 0.00 0.00 33.01 30.85 1mw3 s GLN 239 CO 0.01 0.64 1.00 -0.51 -0.55 0.00 0.00 175.29 175.88 1mw3 s LEU 240 N -0.89 2.85 0.38 3.68 1.43 0.16 -4.96 118.68 121.32 1mw3 s LEU 240 Ca 0.23 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1mw3 s LEU 240 Cb -0.16 -3.06 0.75 0.00 0.03 0.00 0.00 46.19 43.75 1mw3 s LEU 240 CO 0.13 -1.59 1.94 -0.33 0.23 0.00 0.00 176.35 176.73 1mw3 h GLU 241 N -0.57 0.41 0.00 1.70 5.08 -1.99 -1.60 114.58 117.61 1mw3 h GLU 241 Ca -0.44 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1mw3 h GLU 241 Cb 1.31 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1mw3 h GLU 241 CO 0.59 0.43 0.00 -0.40 -1.00 0.00 0.00 179.01 178.63 1mw3 n ASP 242 N -4.33 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 113.18 1mw3 n ASP 242 Ca 0.01 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1mw3 n ASP 242 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1mw3 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mw3 n GLY 243 N 0.56 3.31 3.71 6.12 0.00 -0.60 -5.05 105.19 113.24 1mw3 n GLY 243 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1mw3 n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mw3 s ARG 244 N -0.63 1.27 -0.03 1.61 0.52 -1.26 -4.65 118.95 115.78 1mw3 s ARG 244 Ca 0.00 0.88 0.07 0.00 -0.52 0.00 0.00 55.73 56.16 1mw3 s ARG 244 Cb 0.00 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.64 1mw3 s ARG 244 CO 0.00 -2.25 -0.25 -1.58 0.02 0.00 0.00 175.30 171.24 1mw3 s TRP 245 N -2.91 2.38 0.02 -0.53 0.52 0.15 0.36 118.94 118.93 1mw3 s TRP 245 Ca 0.63 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 56.42 1mw3 s TRP 245 Cb -0.18 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.59 1mw3 s TRP 245 CO 0.57 -0.02 -0.25 0.54 0.02 0.00 0.00 176.95 177.81 1mw3 s VAL 246 N -0.61 2.03 -0.10 4.03 0.11 0.43 0.10 120.40 126.40 1mw3 s VAL 246 Ca 0.10 -1.25 -0.29 0.00 -2.93 0.00 0.00 61.98 57.60 1mw3 s VAL 246 Cb -0.10 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 1mw3 s VAL 246 CO -0.01 0.42 1.64 0.86 -3.33 0.00 0.00 175.10 174.69 1mw3 s TRP 247 N -0.72 2.03 -0.46 1.54 -0.11 -0.21 -1.30 118.94 119.71 1mw3 s TRP 247 Ca 0.11 0.31 0.03 0.00 1.22 0.00 0.00 56.10 57.77 1mw3 s TRP 247 Cb -0.10 -3.91 0.16 0.00 -1.50 0.00 0.00 33.47 28.13 1mw3 s TRP 247 CO 0.01 -3.56 0.33 0.95 -4.62 0.00 0.00 176.95 170.06 1mw3 s THR 248 N 4.34 1.00 0.24 5.86 -4.23 0.21 -2.07 115.64 120.98 1mw3 s THR 248 Ca 0.73 -2.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 1mw3 s THR 248 Cb -0.31 -1.68 0.21 0.00 1.34 0.00 0.00 72.50 72.06 1mw3 s THR 248 CO 0.29 -1.10 1.79 0.74 -0.54 0.00 0.00 174.62 175.80 1mw3 h THR 249 N 4.75 0.84 0.00 3.99 2.02 -1.78 -3.37 112.91 119.36 1mw3 h THR 249 Ca 0.17 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1mw3 h THR 249 Cb 0.89 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1mw3 h THR 249 CO 0.44 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.95 1mw3 n PHE 250 N -4.81 0.00 -1.50 3.16 3.72 -1.26 -4.38 117.46 112.38 1mw3 n PHE 250 Ca 0.14 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.21 1mw3 n PHE 250 Cb 0.32 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.94 1mw3 n PHE 250 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1mw3 s ASN 251 N -0.90 4.57 0.62 4.37 0.01 -1.26 -4.84 114.94 117.51 1mw3 s ASN 251 Ca 0.00 2.10 0.38 0.00 -0.71 0.00 0.00 52.86 54.63 1mw3 s ASN 251 Cb 0.00 -2.56 2.05 0.00 0.41 0.00 0.00 41.25 41.15 1mw3 s ASN 251 CO 0.00 -2.00 2.26 0.28 -1.51 0.00 0.00 177.10 176.14 1mw3 h SER 252 N -0.38 0.00 -0.39 -1.22 0.02 -1.94 -1.03 113.55 108.61 1mw3 h SER 252 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1mw3 h SER 252 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1mw3 h SER 252 CO 0.51 0.02 0.00 2.22 -1.14 0.00 0.00 176.83 178.44 1mw3 n PHE 253 N -3.32 0.77 -4.00 3.45 1.16 -1.26 -4.71 117.46 109.56 1mw3 n PHE 253 Ca -0.02 -0.33 -0.31 0.00 -1.87 0.00 0.00 57.45 54.92 1mw3 n PHE 253 Cb 0.13 -0.11 -0.15 0.00 -1.61 0.00 0.00 39.48 37.73 1mw3 n PHE 253 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1mw3 s GLN 254 N -1.62 1.90 -0.25 3.97 -0.21 -0.39 -0.86 119.66 122.20 1mw3 s GLN 254 Ca 0.29 -1.14 -0.11 0.00 0.02 0.00 0.00 55.36 54.42 1mw3 s GLN 254 Cb 0.18 -2.71 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 1mw3 s GLN 254 CO 0.16 -0.58 0.20 -1.58 -2.12 0.00 0.00 175.29 171.36 1mw3 s TRP 255 N 1.27 3.30 0.16 0.91 0.52 0.40 -4.48 118.94 121.02 1mw3 s TRP 255 Ca -0.07 0.24 -0.32 0.00 0.02 0.00 0.00 56.10 55.98 1mw3 s TRP 255 Cb -0.19 -2.33 -0.10 0.00 -1.15 0.00 0.00 33.47 29.70 1mw3 s TRP 255 CO -0.06 -0.00 1.64 -0.51 0.02 0.00 0.00 176.95 178.04 1mw3 s ASP 256 N 1.23 6.53 0.40 2.95 1.11 -0.88 -1.96 116.67 126.04 1mw3 s ASP 256 Ca 0.09 2.67 -0.24 0.00 0.18 0.00 0.00 52.55 55.25 1mw3 s ASP 256 Cb -0.14 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.17 1mw3 s ASP 256 CO 0.06 -0.88 1.07 -0.76 1.18 0.00 0.00 175.17 175.84 1mw3 s LEU 257 N 1.45 4.15 -0.93 1.23 1.43 0.75 -3.94 118.68 122.83 1mw3 s LEU 257 Ca 0.72 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.76 1mw3 s LEU 257 Cb -0.45 -4.15 0.17 0.00 0.03 0.00 0.00 46.19 41.79 1mw3 s LEU 257 CO 0.32 -0.53 1.03 0.21 0.23 0.00 0.00 176.35 177.61 1mw3 s ASN 258 N -1.48 6.74 0.00 2.29 3.04 0.80 -4.89 114.94 121.43 1mw3 s ASN 258 Ca 0.58 -2.39 0.17 0.00 0.04 0.00 0.00 52.86 51.25 1mw3 s ASN 258 Cb -0.24 -2.33 0.93 0.00 -1.54 0.00 0.00 41.25 38.08 1mw3 s ASN 258 CO 0.30 -0.85 1.43 -1.22 -3.04 0.00 0.00 177.10 173.72 1mw3 n TYR 259 N 5.48 0.00 1.35 0.43 4.01 -1.26 -1.90 117.16 125.27 1mw3 n TYR 259 Ca 0.22 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.09 1mw3 n TYR 259 Cb 0.48 -0.10 0.70 0.00 -0.31 0.00 0.00 39.34 40.10 1mw3 n TYR 259 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1mw3 n SER 260 N -1.10 0.00 -4.35 7.72 3.41 -1.26 -4.39 113.62 113.65 1mw3 n SER 260 Ca 0.11 -0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 1mw3 n SER 260 Cb 0.08 -0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1mw3 n SER 260 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mw3 s ASN 261 N -2.48 5.70 0.60 4.04 3.84 -0.80 -4.97 114.94 120.87 1mw3 s ASN 261 Ca 0.28 -1.10 0.29 0.00 0.21 0.00 0.00 52.86 52.54 1mw3 s ASN 261 Cb 0.18 -2.01 1.54 0.00 -0.55 0.00 0.00 41.25 40.41 1mw3 s ASN 261 CO 0.40 -0.41 1.94 1.55 -2.79 0.00 0.00 177.10 177.79 1mw3 h PRO 262 N 8.42 0.00 0.00 0.43 0.13 -1.87 0.15 132.00 139.27 1mw3 h PRO 262 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1mw3 h PRO 262 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1mw3 h PRO 262 CO 0.68 0.00 -0.12 -1.49 -0.23 0.00 0.00 178.00 176.84 1mw3 h TRP 263 N 0.00 0.00 -0.20 1.56 4.06 -1.93 -1.90 115.95 117.54 1mw3 h TRP 263 Ca 0.15 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.92 1mw3 h TRP 263 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 1mw3 h TRP 263 CO 0.00 0.12 -0.57 0.28 -3.56 0.00 0.00 178.44 174.71 1mw3 h VAL 264 N 0.00 1.30 -0.17 1.49 2.07 -0.96 -1.30 116.25 118.69 1mw3 h VAL 264 Ca -0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1mw3 h VAL 264 Cb 0.62 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1mw3 h VAL 264 CO 0.02 0.57 0.11 0.15 0.02 0.00 0.00 177.57 178.43 1mw3 h PHE 265 N 0.46 0.22 -0.42 1.57 3.04 -1.44 -0.57 116.94 119.80 1mw3 h PHE 265 Ca -0.01 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.99 1mw3 h PHE 265 Cb 1.19 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.58 1mw3 h PHE 265 CO 0.09 0.16 0.13 -0.09 -2.02 0.00 0.00 178.31 176.59 1mw3 h ARG 266 N 0.21 0.28 0.13 1.11 1.12 -1.33 0.21 114.38 116.12 1mw3 h ARG 266 Ca 0.06 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1mw3 h ARG 266 Cb 0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1mw3 h ARG 266 CO -0.01 0.19 -0.14 0.00 -3.11 0.00 0.00 179.97 176.89 1mw3 h ALA 267 N 1.29 -0.28 -0.05 2.80 0.00 -0.84 -1.03 119.26 121.15 1mw3 h ALA 267 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1mw3 h ALA 267 Cb 0.20 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mw3 h ALA 267 CO -0.22 -0.68 -0.26 0.52 0.00 0.00 0.00 179.25 178.61 1mw3 h MET 268 N -0.31 0.08 -0.57 0.00 2.86 -0.76 -2.13 114.93 114.11 1mw3 h MET 268 Ca 0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1mw3 h MET 268 Cb 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1mw3 h MET 268 CO -0.05 0.35 0.08 0.00 1.06 0.00 0.00 176.91 178.35 1mw3 h ALA 269 N 1.66 0.76 -0.97 6.32 0.00 -0.13 -1.20 119.26 125.69 1mw3 h ALA 269 Ca 0.01 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1mw3 h ALA 269 Cb 0.51 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1mw3 h ALA 269 CO 0.04 0.52 0.64 0.78 0.00 0.00 0.00 179.25 181.22 1mw3 h GLY 270 N 0.84 1.36 1.55 0.00 0.00 -0.57 -1.33 103.07 104.92 1mw3 h GLY 270 Ca 0.17 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1mw3 h GLY 270 CO 0.01 0.49 -0.07 0.83 0.00 0.00 0.00 176.54 177.80 1mw3 h GLU 271 N 1.30 0.55 -0.52 4.80 4.39 -0.95 -2.14 114.58 122.00 1mw3 h GLU 271 Ca 0.36 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 1mw3 h GLU 271 Cb -0.14 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1mw3 h GLU 271 CO -0.08 0.62 -0.09 1.98 -1.16 0.00 0.00 179.01 180.28 1mw3 h MET 272 N 0.51 0.96 -0.21 2.33 4.05 -0.18 -2.12 114.93 120.28 1mw3 h MET 272 Ca 0.10 -0.34 -0.08 0.00 -0.28 0.00 0.00 59.70 59.10 1mw3 h MET 272 Cb 0.43 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1mw3 h MET 272 CO 0.02 1.01 -0.21 -0.07 0.23 0.00 0.00 176.91 177.89 1mw3 h LEU 273 N 0.86 0.36 0.21 3.39 3.38 -0.97 0.81 115.31 123.35 1mw3 h LEU 273 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1mw3 h LEU 273 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1mw3 h LEU 273 CO 0.04 0.59 -0.10 0.15 0.09 0.00 0.00 178.44 179.21 1mw3 h PHE 274 N 0.34 -0.26 -0.66 1.13 3.57 -0.99 -1.56 116.94 118.50 1mw3 h PHE 274 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1mw3 h PHE 274 Cb 0.56 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1mw3 h PHE 274 CO 0.01 -0.05 0.40 -0.07 -2.23 0.00 0.00 178.31 176.37 1mw3 h LEU 275 N -0.42 0.80 -0.43 0.59 3.38 -1.17 -2.71 115.31 115.35 1mw3 h LEU 275 Ca -0.03 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1mw3 h LEU 275 Cb 0.32 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1mw3 h LEU 275 CO 0.05 0.62 0.05 0.00 0.09 0.00 0.00 178.44 179.25 1mw3 h ALA 276 N 1.21 0.44 0.00 1.53 0.00 -0.68 -1.24 119.26 120.52 1mw3 h ALA 276 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1mw3 h ALA 276 Cb -0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mw3 h ALA 276 CO -0.04 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 178.95 1mw3 n ASN 277 N -5.14 0.00 0.20 0.00 3.02 -0.60 -1.62 115.26 111.12 1mw3 n ASN 277 Ca 0.03 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1mw3 n ASN 277 Cb 0.21 -0.25 0.19 0.00 -0.61 0.00 0.00 39.78 39.32 1mw3 n ASN 277 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mw3 h LEU 278 N 0.00 0.00 0.00 3.41 3.38 -1.06 -3.46 115.31 117.58 1mw3 h LEU 278 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mw3 h LEU 278 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mw3 h LEU 278 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1mw3 n GLY 279 N 1.13 1.13 3.72 0.83 0.00 -0.64 -4.87 105.19 106.49 1mw3 n GLY 279 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1mw3 n GLY 279 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mw3 n VAL 280 N -0.89 0.95 -0.04 1.61 0.31 -1.22 -4.71 118.33 114.34 1mw3 n VAL 280 Ca 0.00 -0.24 -0.17 0.00 -0.01 0.00 0.00 64.34 63.92 1mw3 n VAL 280 Cb 0.00 -1.83 -0.14 0.00 -0.91 0.00 0.00 33.84 30.96 1mw3 n VAL 280 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mw3 n ASP 281 N 2.25 1.65 -3.87 4.52 8.00 0.11 -4.63 116.55 124.57 1mw3 n ASP 281 Ca 0.10 0.15 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 1mw3 n ASP 281 Cb 0.35 -0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 1mw3 n ASP 281 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mw3 s ILE 282 N -2.55 0.25 -0.23 0.53 1.01 -1.08 -1.39 121.20 117.73 1mw3 s ILE 282 Ca -0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1mw3 s ILE 282 Cb 0.07 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 1mw3 s ILE 282 CO 0.75 0.12 0.05 -0.76 0.00 0.00 0.00 174.94 175.10 1mw3 s LEU 283 N 0.54 3.38 -0.48 2.97 1.43 -0.14 -2.30 118.68 124.08 1mw3 s LEU 283 Ca -0.06 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1mw3 s LEU 283 Cb -0.09 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1mw3 s LEU 283 CO -0.01 -0.00 1.23 -0.60 0.23 0.00 0.00 176.35 177.20 1mw3 s ARG 284 N 1.42 3.62 -0.89 1.70 3.52 0.20 -0.73 118.95 127.80 1mw3 s ARG 284 Ca 0.05 0.60 -0.25 0.00 -0.13 0.00 0.00 55.73 56.01 1mw3 s ARG 284 Cb -0.15 -3.97 0.02 0.00 -1.56 0.00 0.00 34.95 29.30 1mw3 s ARG 284 CO 0.03 -1.51 1.52 -1.64 -0.81 0.00 0.00 175.30 172.88 1mw3 s MET 285 N 4.73 3.23 0.18 5.12 -1.94 0.48 -0.48 119.30 130.62 1mw3 s MET 285 Ca 0.51 -0.59 -0.31 0.00 -1.71 0.00 0.00 55.69 53.59 1mw3 s MET 285 Cb -0.09 -4.90 -0.09 0.00 2.01 0.00 0.00 34.83 31.76 1mw3 s MET 285 CO 0.31 -2.42 1.42 0.34 -0.01 0.00 0.00 175.02 174.66 1mw3 s ASP 286 N 5.39 6.75 -1.43 3.03 2.15 -0.98 -2.48 116.67 129.10 1mw3 s ASP 286 Ca 0.49 2.50 -0.02 0.00 0.43 0.00 0.00 52.55 55.94 1mw3 s ASP 286 Cb -0.04 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1mw3 s ASP 286 CO 0.01 -0.67 0.47 0.00 -0.17 0.00 0.00 175.17 174.81 1mw3 n ALA 287 N 3.19 -1.93 0.27 3.66 0.00 -1.24 -4.41 120.51 120.06 1mw3 n ALA 287 Ca 0.09 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.42 1mw3 n ALA 287 Cb 0.41 -1.75 0.78 0.00 0.00 0.00 0.00 19.45 18.90 1mw3 n ALA 287 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1mw3 h VAL 288 N -1.82 0.74 0.00 0.00 -1.51 -1.64 -2.93 116.25 109.10 1mw3 h VAL 288 Ca -0.63 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.79 1mw3 h VAL 288 Cb 1.38 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1mw3 h VAL 288 CO 0.64 0.00 -0.26 0.00 -1.23 0.00 0.00 177.57 176.72 1mw3 h ALA 289 N 1.98 1.34 -0.24 5.19 0.00 -1.89 -3.28 119.26 122.37 1mw3 h ALA 289 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mw3 h ALA 289 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1mw3 h ALA 289 CO -0.00 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.76 1mw3 n PHE 290 N -3.89 0.30 1.20 0.00 3.72 -1.11 -0.99 117.46 116.69 1mw3 n PHE 290 Ca -0.02 -0.15 0.04 0.00 -0.05 0.00 0.00 57.45 57.28 1mw3 n PHE 290 Cb 0.34 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.15 1mw3 n PHE 290 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1mw3 n ILE 291 N 0.91 0.00 -3.78 4.37 -5.35 -1.24 -4.65 119.36 109.62 1mw3 n ILE 291 Ca 0.17 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.52 1mw3 n ILE 291 Cb 0.47 -0.43 -0.14 0.00 -1.74 0.00 0.00 39.64 37.80 1mw3 n ILE 291 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1mw3 s TRP 292 N -2.00 -0.14 0.09 4.28 -0.11 -1.26 -4.51 118.94 115.29 1mw3 s TRP 292 Ca 0.13 0.39 0.07 0.00 1.22 0.00 0.00 56.10 57.92 1mw3 s TRP 292 Cb 0.06 -0.05 -0.04 0.00 -1.50 0.00 0.00 33.47 31.95 1mw3 s TRP 292 CO 0.10 -0.12 -0.14 0.15 -4.62 0.00 0.00 176.95 172.32 1mw3 s LYS 293 N 0.75 2.04 -0.30 5.86 -0.14 -1.26 -4.44 119.74 122.25 1mw3 s LYS 293 Ca -0.06 -1.04 -0.08 0.00 -1.36 0.00 0.00 55.97 53.43 1mw3 s LYS 293 Cb -0.08 -2.24 0.14 0.00 -1.68 0.00 0.00 37.83 33.98 1mw3 s LYS 293 CO -0.03 0.51 0.63 -1.14 -0.76 0.00 0.00 175.35 174.55 1mw3 s GLN 294 N -2.00 0.57 0.23 1.68 2.00 -1.26 -5.05 119.66 115.83 1mw3 s GLN 294 Ca 0.19 1.34 -0.31 0.00 -2.00 0.00 0.00 55.36 54.58 1mw3 s GLN 294 Cb -0.11 0.78 -0.14 0.00 0.80 0.00 0.00 33.01 34.34 1mw3 s GLN 294 CO 0.11 -0.29 1.19 -0.12 -0.50 0.00 0.00 175.29 175.68 1mw3 n MET 295 N 5.44 1.52 0.00 1.67 0.00 -1.26 -1.49 117.12 123.00 1mw3 n MET 295 Ca -0.09 0.54 0.00 0.00 -0.00 0.00 0.00 57.70 58.14 1mw3 n MET 295 Cb 0.49 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.67 1mw3 n MET 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mw3 n GLY 296 N 1.75 1.49 3.61 -5.12 0.00 -1.26 -5.03 105.19 100.62 1mw3 n GLY 296 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1mw3 n GLY 296 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw3 s THR 297 N -2.39 2.18 -1.22 2.61 -4.23 -0.55 -4.98 115.64 107.05 1mw3 s THR 297 Ca 0.00 -2.04 0.16 0.00 -1.18 0.00 0.00 61.69 58.63 1mw3 s THR 297 Cb 0.00 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.19 1mw3 s THR 297 CO 0.00 -0.09 1.49 -1.54 -0.54 0.00 0.00 174.62 173.94 1mw3 n SER 298 N -0.93 0.00 -2.76 3.99 3.41 -1.26 -4.63 113.62 111.44 1mw3 n SER 298 Ca -0.05 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 1mw3 n SER 298 Cb 0.65 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1mw3 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mw3 s GLU 300 N -5.49 0.61 -1.29 0.00 2.02 -1.26 -4.45 118.70 108.85 1mw3 s GLU 300 Ca 0.22 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1mw3 s GLU 300 Cb -0.10 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.59 1mw3 s GLU 300 CO 0.27 0.14 0.00 0.09 0.02 0.00 0.00 175.26 175.77 1mw3 n ASN 301 N 2.36 -4.11 -4.77 -0.19 3.02 -0.16 -4.95 115.26 106.45 1mw3 n ASN 301 Ca -0.16 0.21 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 1mw3 n ASN 301 Cb 0.56 -3.57 0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1mw3 n ASN 301 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mw3 s LEU 302 N -5.13 3.49 0.26 3.41 1.43 -1.26 -4.91 118.68 115.97 1mw3 s LEU 302 Ca 0.00 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1mw3 s LEU 302 Cb 0.00 -4.56 0.57 0.00 0.03 0.00 0.00 46.19 42.23 1mw3 s LEU 302 CO 0.00 -1.49 1.68 -0.65 0.23 0.00 0.00 176.35 176.11 1mw3 h PRO 303 N 0.36 0.27 0.00 1.29 0.11 -1.99 -0.56 132.00 131.48 1mw3 h PRO 303 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1mw3 h PRO 303 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1mw3 h PRO 303 CO 0.55 0.18 -0.11 1.96 -0.21 0.00 0.00 178.00 180.37 1mw3 h GLN 304 N 0.28 0.00 -0.28 1.05 7.50 -1.94 -1.97 115.11 119.76 1mw3 h GLN 304 Ca 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.60 1mw3 h GLN 304 Cb 0.86 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1mw3 h GLN 304 CO -0.55 0.11 0.10 0.00 -1.50 0.00 0.00 178.83 176.98 1mw3 h ALA 305 N 1.89 0.36 -0.49 3.87 0.00 -1.43 -1.02 119.26 122.46 1mw3 h ALA 305 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1mw3 h ALA 305 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1mw3 h ALA 305 CO 0.01 -0.03 0.13 0.45 0.00 0.00 0.00 179.25 179.81 1mw3 h HIS 306 N 0.29 0.81 -0.63 0.00 3.86 -1.42 -2.40 115.15 115.67 1mw3 h HIS 306 Ca 0.09 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1mw3 h HIS 306 Cb 0.21 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 1mw3 h HIS 306 CO -0.00 0.72 0.40 0.00 0.86 0.00 0.00 177.93 179.92 1mw3 h ALA 307 N 0.99 0.80 -0.68 2.45 0.00 -1.17 -0.27 119.26 121.38 1mw3 h ALA 307 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1mw3 h ALA 307 Cb 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1mw3 h ALA 307 CO 0.00 0.19 0.36 -0.07 0.00 0.00 0.00 179.25 179.72 1mw3 h LEU 308 N 0.81 0.87 -0.72 0.00 3.38 -1.08 -0.04 115.31 118.53 1mw3 h LEU 308 Ca 0.24 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1mw3 h LEU 308 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1mw3 h LEU 308 CO -0.07 0.73 0.19 0.40 0.09 0.00 0.00 178.44 179.78 1mw3 h ILE 309 N 0.94 1.26 0.00 1.22 2.04 -0.98 -0.88 117.51 121.11 1mw3 h ILE 309 Ca 0.24 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1mw3 h ILE 309 Cb 0.07 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1mw3 h ILE 309 CO -0.04 0.37 -0.29 0.03 0.00 0.00 0.00 178.15 178.23 1mw3 h ARG 310 N 1.09 0.00 -0.26 2.37 3.08 -0.44 -0.96 114.38 119.25 1mw3 h ARG 310 Ca 0.23 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 1mw3 h ARG 310 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1mw3 h ARG 310 CO -0.00 0.29 -0.22 0.00 -1.07 0.00 0.00 179.97 178.97 1mw3 h ALA 311 N 1.71 0.38 -1.00 0.04 0.00 -0.21 -1.74 119.26 118.44 1mw3 h ALA 311 Ca -0.00 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1mw3 h ALA 311 Cb 0.53 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1mw3 h ALA 311 CO 0.04 0.34 0.66 0.74 0.00 0.00 0.00 179.25 181.03 1mw3 h PHE 312 N 0.34 1.26 -0.34 0.00 -1.00 -0.76 -1.74 116.94 114.70 1mw3 h PHE 312 Ca 0.05 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.88 1mw3 h PHE 312 Cb 0.77 -0.43 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 1mw3 h PHE 312 CO 0.07 0.79 0.17 -0.97 -1.61 0.00 0.00 178.31 176.76 1mw3 h ASN 313 N 1.35 0.26 -0.96 2.17 -1.24 -0.94 -2.11 115.58 114.11 1mw3 h ASN 313 Ca 0.37 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.43 1mw3 h ASN 313 Cb -0.15 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 38.81 1mw3 h ASN 313 CO -0.08 0.19 0.63 0.00 -1.29 0.00 0.00 177.43 176.88 1mw3 h ALA 314 N 1.17 1.38 -0.96 1.57 0.00 -0.63 -1.54 119.26 120.25 1mw3 h ALA 314 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1mw3 h ALA 314 Cb 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1mw3 h ALA 314 CO -0.09 0.52 0.63 0.28 0.00 0.00 0.00 179.25 180.59 1mw3 h VAL 315 N 1.21 1.20 -0.25 0.00 2.07 -0.67 -2.01 116.25 117.79 1mw3 h VAL 315 Ca 0.38 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 1mw3 h VAL 315 Cb 0.01 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.62 1mw3 h VAL 315 CO -0.12 0.23 -0.56 0.24 0.02 0.00 0.00 177.57 177.38 1mw3 h MET 316 N 1.24 0.77 0.00 1.57 2.07 -0.96 -0.41 114.93 119.20 1mw3 h MET 316 Ca 0.37 -0.49 -0.00 0.00 -2.07 0.00 0.00 59.70 57.50 1mw3 h MET 316 Cb -0.05 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1mw3 h MET 316 CO -0.10 1.12 -0.02 0.00 1.07 0.00 0.00 176.91 178.98 1mw3 h ARG 317 N 0.58 0.00 0.07 1.72 2.47 -0.79 0.29 114.38 118.72 1mw3 h ARG 317 Ca 0.01 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 1mw3 h ARG 317 Cb 1.15 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.45 1mw3 h ARG 317 CO 0.12 0.02 -1.47 0.82 0.56 0.00 0.00 179.97 180.02 1mw3 h ILE 318 N 0.00 0.89 -0.01 2.04 2.04 -1.13 -3.40 117.51 117.95 1mw3 h ILE 318 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1mw3 h ILE 318 Cb 0.04 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1mw3 h ILE 318 CO 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 178.15 178.55 1mw3 n ALA 319 N -3.16 2.78 -2.71 1.87 0.00 -0.19 -4.82 120.51 114.29 1mw3 n ALA 319 Ca -0.30 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 52.67 1mw3 n ALA 319 Cb 0.84 -0.31 0.07 0.00 0.00 0.00 0.00 19.45 20.05 1mw3 n ALA 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mw3 n ALA 320 N -0.34 -2.04 -0.29 0.00 0.00 0.76 -4.41 120.51 114.18 1mw3 n ALA 320 Ca 0.03 -1.01 0.34 0.00 0.00 0.00 0.00 53.44 52.81 1mw3 n ALA 320 Cb 0.18 -2.01 0.72 0.00 0.00 0.00 0.00 19.45 18.34 1mw3 n ALA 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mw3 h PRO 321 N 3.31 0.00 0.00 0.00 0.11 -1.01 -1.35 132.00 133.06 1mw3 h PRO 321 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 1mw3 h PRO 321 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1mw3 h PRO 321 CO 0.11 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.71 1mw3 h ALA 322 N 1.26 1.07 -1.89 -0.75 0.00 -1.81 -3.44 119.26 113.70 1mw3 h ALA 322 Ca 0.55 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.71 1mw3 h ALA 322 Cb 2.36 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 20.06 1mw3 h ALA 322 CO -0.01 0.24 0.96 0.08 0.00 0.00 0.00 179.25 180.53 1mw3 s VAL 323 N -3.77 4.17 0.27 0.00 1.01 -0.51 -4.81 120.40 116.77 1mw3 s VAL 323 Ca -0.00 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.33 1mw3 s VAL 323 Cb 0.11 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1mw3 s VAL 323 CO 0.62 -0.62 0.29 -0.36 0.00 0.00 0.00 175.10 175.03 1mw3 s PHE 324 N 4.46 3.16 -0.05 5.22 0.40 -0.49 -4.89 117.98 125.79 1mw3 s PHE 324 Ca 0.54 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.75 1mw3 s PHE 324 Cb -0.14 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 1mw3 s PHE 324 CO 0.25 0.37 -0.07 -0.06 0.70 0.00 0.00 175.22 176.41 1mw3 s PHE 325 N -2.13 2.91 -0.30 0.36 0.08 -1.26 -0.96 117.98 116.68 1mw3 s PHE 325 Ca 0.36 0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.40 1mw3 s PHE 325 Cb -0.08 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1mw3 s PHE 325 CO 0.27 0.33 -0.00 0.21 -0.10 0.00 0.00 175.22 175.93 1mw3 s LYS 326 N -0.93 2.39 0.15 0.44 2.20 0.09 -2.57 119.74 121.50 1mw3 s LYS 326 Ca 0.13 -1.30 -0.30 0.00 -0.36 0.00 0.00 55.97 54.14 1mw3 s LYS 326 Cb -0.11 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 1mw3 s LYS 326 CO 0.03 -0.64 1.26 0.45 -0.36 0.00 0.00 175.35 176.09 1mw3 s SER 327 N 1.26 7.00 -0.58 1.43 0.15 -0.23 -0.39 113.70 122.34 1mw3 s SER 327 Ca -0.05 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.83 1mw3 s SER 327 Cb -0.20 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.66 1mw3 s SER 327 CO -0.02 -0.48 0.37 -0.70 1.20 0.00 0.00 173.24 173.61 1mw3 s GLU 328 N 0.35 2.34 -0.37 5.44 -6.30 -1.03 -1.52 118.70 117.60 1mw3 s GLU 328 Ca 0.57 -2.51 0.01 0.00 -2.50 0.00 0.00 54.97 50.54 1mw3 s GLU 328 Cb -0.33 -3.59 0.12 0.00 0.00 0.00 0.00 34.13 30.32 1mw3 s GLU 328 CO 0.34 -1.14 0.16 0.00 0.02 0.00 0.00 175.26 174.63 1mw3 s ALA 329 N -0.05 1.98 -1.15 6.30 0.00 -1.26 -3.39 121.76 124.19 1mw3 s ALA 329 Ca 0.16 -2.20 -0.10 0.00 0.00 0.00 0.00 51.96 49.82 1mw3 s ALA 329 Cb -0.22 -1.79 0.25 0.00 0.00 0.00 0.00 23.12 21.36 1mw3 s ALA 329 CO -0.03 -1.85 1.28 -0.89 0.00 0.00 0.00 175.76 174.27 1mw3 n ILE 330 N 4.18 4.55 -3.51 0.00 2.08 -1.26 -4.74 119.36 120.65 1mw3 n ILE 330 Ca 0.03 -5.20 0.00 0.00 0.56 0.00 0.00 62.75 58.14 1mw3 n ILE 330 Cb 0.38 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.78 1mw3 n ILE 330 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1mw3 n VAL 331 N 3.13 0.00 -1.74 1.39 0.24 -1.26 -5.07 118.33 115.01 1mw3 n VAL 331 Ca 0.29 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.17 1mw3 n VAL 331 Cb 0.39 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1mw3 n VAL 331 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1mw3 n HIS 332 N 0.00 2.71 -0.33 6.34 -0.00 -1.26 -4.66 115.22 118.02 1mw3 n HIS 332 Ca 0.00 0.46 0.19 0.00 -0.00 0.00 0.00 57.72 58.37 1mw3 n HIS 332 Cb 0.00 -2.50 0.44 0.00 -0.00 0.00 0.00 29.99 27.93 1mw3 n HIS 332 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1mw3 h PRO 333 N 3.04 0.50 0.00 1.57 0.11 -1.91 0.22 132.00 135.54 1mw3 h PRO 333 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1mw3 h PRO 333 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1mw3 h PRO 333 CO 0.65 0.33 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.14 1mw3 h ASP 334 N 0.52 0.00 0.38 -2.05 3.32 -1.97 -2.91 116.42 113.70 1mw3 h ASP 334 Ca 0.60 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.33 1mw3 h ASP 334 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1mw3 h ASP 334 CO -0.35 0.20 -1.65 1.56 -1.72 0.00 0.00 179.24 177.27 1mw3 h GLN 335 N 0.00 0.23 -0.05 3.56 1.08 -0.99 -3.36 115.11 115.58 1mw3 h GLN 335 Ca -0.00 -0.40 0.04 0.00 -1.45 0.00 0.00 58.65 56.83 1mw3 h GLN 335 Cb 0.42 0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1mw3 h GLN 335 CO 0.03 1.07 -0.21 0.28 -0.95 0.00 0.00 178.83 179.04 1mw3 h VAL 336 N 0.06 0.49 0.00 -0.54 2.07 -0.87 -2.75 116.25 114.71 1mw3 h VAL 336 Ca -0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1mw3 h VAL 336 Cb 2.03 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1mw3 h VAL 336 CO 0.14 0.00 -0.02 1.62 0.02 0.00 0.00 177.57 179.33 1mw3 h VAL 337 N -0.31 0.11 0.00 2.57 3.04 -1.72 -2.94 116.25 117.00 1mw3 h VAL 337 Ca 0.07 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1mw3 h VAL 337 Cb 0.42 1.23 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1mw3 h VAL 337 CO -0.23 0.02 -0.05 1.56 -1.01 0.00 0.00 177.57 177.86 1mw3 h GLN 338 N 0.00 0.00 0.00 4.17 4.20 -1.63 -2.69 115.11 119.15 1mw3 h GLN 338 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mw3 h GLN 338 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1mw3 h GLN 338 CO 0.00 0.05 -0.11 1.88 -0.67 0.00 0.00 178.83 179.99 1mw3 h TYR 339 N 0.00 0.00 -3.49 2.96 0.05 -1.64 -3.44 116.97 111.41 1mw3 h TYR 339 Ca -0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 1mw3 h TYR 339 Cb 0.52 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.14 1mw3 h TYR 339 CO 0.00 0.00 0.30 0.42 -1.05 0.00 0.00 178.16 177.83 1mw3 s ILE 340 N -3.19 4.83 -0.18 -2.88 1.01 -1.02 -2.01 121.20 117.77 1mw3 s ILE 340 Ca 0.07 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 1mw3 s ILE 340 Cb 0.08 -4.11 0.13 0.00 0.01 0.00 0.00 42.46 38.57 1mw3 s ILE 340 CO 0.66 -0.26 1.04 -0.83 0.00 0.00 0.00 174.94 175.55 1mw3 s GLY 341 N 1.68 -0.22 0.41 6.18 0.00 -0.19 -4.88 107.32 110.30 1mw3 s GLY 341 Ca 0.30 2.15 0.13 0.00 0.00 0.00 0.00 44.72 47.30 1mw3 s GLY 341 CO 0.13 1.09 1.93 -1.61 0.00 0.00 0.00 173.10 174.65 1mw3 h GLN 342 N 2.62 0.47 -0.42 2.90 4.15 -1.81 0.83 115.11 123.84 1mw3 h GLN 342 Ca -0.18 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1mw3 h GLN 342 Cb 1.17 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1mw3 h GLN 342 CO 0.29 0.31 0.00 -0.25 -1.93 0.00 0.00 178.83 177.25 1mw3 n ASP 343 N -4.49 2.52 0.00 -0.69 8.00 -1.26 -4.67 116.55 115.96 1mw3 n ASP 343 Ca 0.13 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1mw3 n ASP 343 Cb 0.45 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1mw3 n ASP 343 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1mw3 n GLU 344 N 0.88 0.00 -3.75 -1.24 2.13 0.25 -4.41 120.64 114.50 1mw3 n GLU 344 Ca 0.17 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.61 1mw3 n GLU 344 Cb 0.42 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.00 1mw3 n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1mw3 h GLN 346 N 8.24 0.00 -4.57 0.00 7.50 -1.51 -0.50 115.11 124.27 1mw3 h GLN 346 Ca -0.29 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 58.64 1mw3 h GLN 346 Cb 1.12 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.50 1mw3 h GLN 346 CO 0.61 0.11 -0.66 0.96 -1.50 0.00 0.00 178.83 178.35 1mw3 s ILE 347 N -4.56 0.38 -0.07 2.54 -4.36 -1.06 -1.28 121.20 112.78 1mw3 s ILE 347 Ca -0.04 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 1mw3 s ILE 347 Cb 0.15 -2.00 0.10 0.00 1.25 0.00 0.00 42.46 41.95 1mw3 s ILE 347 CO 0.64 -0.54 0.82 -0.83 0.24 0.00 0.00 174.94 175.27 1mw3 s GLY 348 N -3.09 -0.45 0.56 6.27 0.00 -1.02 -1.07 107.32 108.53 1mw3 s GLY 348 Ca 0.22 1.46 -0.21 0.00 0.00 0.00 0.00 44.72 46.20 1mw3 s GLY 348 CO 0.01 0.82 1.22 -1.72 0.00 0.00 0.00 173.10 173.43 1mw3 n TYR 349 N 0.55 1.78 -3.31 1.90 4.02 -0.58 -0.60 117.16 120.92 1mw3 n TYR 349 Ca -0.14 0.44 -0.31 0.00 -0.01 0.00 0.00 57.90 57.88 1mw3 n TYR 349 Cb 0.59 -2.28 -0.06 0.00 -0.02 0.00 0.00 39.34 37.57 1mw3 n TYR 349 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1mw3 n ASN 350 N -0.92 4.51 0.07 7.72 5.15 -0.73 -4.73 115.26 126.33 1mw3 n ASN 350 Ca 0.12 -3.44 0.12 0.00 -0.60 0.00 0.00 54.58 50.78 1mw3 n ASN 350 Cb 0.45 -0.84 0.60 0.00 -0.53 0.00 0.00 39.78 39.46 1mw3 n ASN 350 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1mw3 h PRO 351 N 4.54 0.15 0.08 1.20 0.13 -1.89 -2.73 132.00 133.49 1mw3 h PRO 351 Ca 0.20 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1mw3 h PRO 351 Cb 0.65 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1mw3 h PRO 351 CO 0.98 0.10 -0.04 1.25 -0.23 0.00 0.00 178.00 180.06 1mw3 h LEU 352 N 0.16 -0.09 -0.28 1.56 5.85 -1.90 0.11 115.31 120.71 1mw3 h LEU 352 Ca 0.16 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1mw3 h LEU 352 Cb 0.42 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1mw3 h LEU 352 CO -0.02 -0.00 0.16 -0.61 -0.34 0.00 0.00 178.44 177.62 1mw3 h GLN 353 N -0.17 0.39 0.19 1.25 4.15 -1.90 -1.72 115.11 117.30 1mw3 h GLN 353 Ca -0.01 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1mw3 h GLN 353 Cb 0.14 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1mw3 h GLN 353 CO 0.02 0.34 -0.32 1.98 -1.93 0.00 0.00 178.83 178.92 1mw3 h MET 354 N 0.34 -0.57 -0.52 1.69 4.05 -1.29 -0.95 114.93 117.68 1mw3 h MET 354 Ca 0.10 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1mw3 h MET 354 Cb 0.06 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1mw3 h MET 354 CO -0.02 -0.38 0.31 0.00 0.23 0.00 0.00 176.91 177.06 1mw3 h ALA 355 N 0.02 1.57 0.00 0.39 0.00 -0.73 -1.76 119.26 118.75 1mw3 h ALA 355 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1mw3 h ALA 355 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mw3 h ALA 355 CO -0.14 0.37 -0.00 -0.07 0.00 0.00 0.00 179.25 179.41 1mw3 h LEU 356 N 0.71 0.00 -0.23 0.00 3.38 -0.84 -1.28 115.31 117.04 1mw3 h LEU 356 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1mw3 h LEU 356 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1mw3 h LEU 356 CO -0.04 0.00 -0.13 -0.07 0.09 0.00 0.00 178.44 178.30 1mw3 h LEU 357 N 0.00 0.52 -0.53 1.67 3.38 -0.26 -1.01 115.31 119.08 1mw3 h LEU 357 Ca -0.00 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1mw3 h LEU 357 Cb 0.76 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1mw3 h LEU 357 CO 0.00 0.82 -0.16 -0.50 0.09 0.00 0.00 178.44 178.69 1mw3 h TRP 358 N 0.21 1.16 -0.32 1.13 4.06 -1.41 -2.47 115.95 118.31 1mw3 h TRP 358 Ca 0.05 -0.26 0.05 0.00 2.06 0.00 0.00 58.89 60.79 1mw3 h TRP 358 Cb 0.64 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.48 1mw3 h TRP 358 CO 0.07 1.09 0.05 -0.97 -3.56 0.00 0.00 178.44 175.12 1mw3 h ASN 359 N 0.89 -0.01 -0.38 -3.49 -1.24 -1.11 -2.36 115.58 107.89 1mw3 h ASN 359 Ca 0.13 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.14 1mw3 h ASN 359 Cb 0.74 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 1mw3 h ASN 359 CO 0.06 0.03 0.07 0.74 -1.29 0.00 0.00 177.43 177.04 1mw3 h THR 360 N 0.16 1.22 -0.73 -3.57 2.02 -1.03 -0.87 112.91 110.11 1mw3 h THR 360 Ca 0.15 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1mw3 h THR 360 Cb 0.17 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1mw3 h THR 360 CO -0.20 0.30 0.35 -0.07 0.37 0.00 0.00 175.52 176.26 1mw3 h LEU 361 N 0.68 0.94 -0.08 2.58 3.38 -1.02 0.57 115.31 122.35 1mw3 h LEU 361 Ca 0.15 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1mw3 h LEU 361 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1mw3 h LEU 361 CO 0.01 0.80 -0.13 0.00 0.09 0.00 0.00 178.44 179.20 1mw3 h ALA 362 N 1.35 0.12 0.00 1.53 0.00 -0.88 -3.33 119.26 118.05 1mw3 h ALA 362 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mw3 h ALA 362 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mw3 h ALA 362 CO -0.03 0.00 -0.64 1.79 0.00 0.00 0.00 179.25 180.37 1mw3 h THR 363 N -0.23 0.00 0.00 0.00 1.35 -1.10 -3.47 112.91 109.46 1mw3 h THR 363 Ca 0.01 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1mw3 h THR 363 Cb 0.69 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1mw3 h THR 363 CO 0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 1mw3 n ARG 364 N -2.83 -0.92 -4.41 4.72 3.00 0.20 -4.97 116.66 111.45 1mw3 n ARG 364 Ca 0.01 0.23 -0.33 0.00 -0.01 0.00 0.00 57.85 57.76 1mw3 n ARG 364 Cb 0.54 -4.02 -0.16 0.00 0.00 0.00 0.00 32.46 28.82 1mw3 n ARG 364 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mw3 s GLU 365 N -1.01 3.06 0.00 5.56 2.02 -1.24 -4.16 118.70 122.92 1mw3 s GLU 365 Ca 0.00 -0.82 0.16 0.00 0.02 0.00 0.00 54.97 54.33 1mw3 s GLU 365 Cb 0.00 -2.55 0.68 0.00 0.10 0.00 0.00 34.13 32.36 1mw3 s GLU 365 CO 0.00 -0.09 1.47 1.33 0.02 0.00 0.00 175.26 177.99 1mw3 n VAL 366 N 4.31 0.16 -0.17 2.63 0.24 -0.51 -4.51 118.33 120.48 1mw3 n VAL 366 Ca -0.20 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 1mw3 n VAL 366 Cb 0.51 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 1mw3 n VAL 366 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1mw3 h ASN 367 N 1.20 -1.33 -0.39 -1.34 7.08 -1.96 0.43 115.58 119.27 1mw3 h ASN 367 Ca 0.00 0.22 -0.03 0.00 -3.08 0.00 0.00 56.30 53.41 1mw3 h ASN 367 Cb 0.27 0.61 -0.02 0.00 -2.08 0.00 0.00 38.32 37.10 1mw3 h ASN 367 CO 0.00 -0.34 0.12 -0.07 -2.08 0.00 0.00 177.43 175.07 1mw3 h LEU 368 N -0.25 0.57 -0.27 6.14 3.38 -1.98 -1.07 115.31 121.83 1mw3 h LEU 368 Ca 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1mw3 h LEU 368 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1mw3 h LEU 368 CO -0.63 0.62 0.16 0.25 0.09 0.00 0.00 178.44 178.93 1mw3 h LEU 369 N 0.49 0.26 -0.64 1.67 5.85 -1.70 -0.70 115.31 120.53 1mw3 h LEU 369 Ca 0.13 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1mw3 h LEU 369 Cb 0.26 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1mw3 h LEU 369 CO -0.00 0.19 0.39 -0.74 -0.34 0.00 0.00 178.44 177.93 1mw3 h HIS 370 N 0.33 0.72 -0.22 1.25 2.76 -0.01 0.19 115.15 120.16 1mw3 h HIS 370 Ca 0.11 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1mw3 h HIS 370 Cb -0.00 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 1mw3 h HIS 370 CO -0.08 0.40 0.07 0.37 -1.30 0.00 0.00 177.93 177.39 1mw3 h GLN 371 N 0.75 0.16 -0.60 5.26 4.15 -0.72 -0.31 115.11 123.81 1mw3 h GLN 371 Ca 0.26 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 1mw3 h GLN 371 Cb 0.05 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1mw3 h GLN 371 CO -0.12 0.11 0.23 0.00 -1.93 0.00 0.00 178.83 177.12 1mw3 h ALA 372 N 1.15 0.78 0.00 3.38 0.00 -0.58 -0.90 119.26 123.09 1mw3 h ALA 372 Ca 0.10 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1mw3 h ALA 372 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1mw3 h ALA 372 CO -0.11 0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1mw3 h LEU 373 N 0.84 0.00 0.11 0.00 3.38 -0.66 0.10 115.31 119.08 1mw3 h LEU 373 Ca 0.20 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1mw3 h LEU 373 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1mw3 h LEU 373 CO -0.01 0.23 -1.01 0.74 0.09 0.00 0.00 178.44 178.48 1mw3 h THR 374 N 0.00 1.31 0.00 0.22 2.02 -0.69 -3.38 112.91 112.40 1mw3 h THR 374 Ca -0.00 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1mw3 h THR 374 Cb 0.64 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1mw3 h THR 374 CO 0.03 0.68 -1.67 -1.22 0.37 0.00 0.00 175.52 173.71 1mw3 n TYR 375 N -4.10 0.00 -1.57 3.16 4.01 -0.38 -4.68 117.16 113.60 1mw3 n TYR 375 Ca -0.19 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.61 1mw3 n TYR 375 Cb 0.82 -0.35 0.11 0.00 -0.31 0.00 0.00 39.34 39.61 1mw3 n TYR 375 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1mw3 n ARG 376 N -2.02 0.89 -0.11 -0.72 1.74 0.33 -4.88 116.66 111.90 1mw3 n ARG 376 Ca -0.02 -2.29 -0.19 0.00 -0.77 0.00 0.00 57.85 54.58 1mw3 n ARG 376 Cb 0.43 -1.11 -0.07 0.00 -1.02 0.00 0.00 32.46 30.68 1mw3 n ARG 376 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1mw3 n HIS 377 N -0.81 0.50 -1.86 -1.55 -0.00 -1.14 -4.93 115.22 105.43 1mw3 n HIS 377 Ca 0.12 0.22 -0.40 0.00 0.46 0.00 0.00 57.72 58.11 1mw3 n HIS 377 Cb 0.72 -0.89 0.01 0.00 -0.12 0.00 0.00 29.99 29.71 1mw3 n HIS 377 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1mw3 s ASN 378 N -6.66 6.15 0.36 0.26 0.01 -1.26 -4.97 114.94 108.83 1mw3 s ASN 378 Ca -0.29 2.91 0.05 0.00 -0.71 0.00 0.00 52.86 54.82 1mw3 s ASN 378 Cb 0.08 -2.66 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 1mw3 s ASN 378 CO 0.46 -0.99 0.04 -0.76 -1.51 0.00 0.00 177.10 174.34 1mw3 s LEU 379 N -2.41 2.44 0.95 0.60 1.43 -1.26 -5.14 118.68 115.29 1mw3 s LEU 379 Ca 0.57 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1mw3 s LEU 379 Cb -0.43 -0.58 0.15 0.00 0.03 0.00 0.00 46.19 45.36 1mw3 s LEU 379 CO 0.57 -0.55 1.03 -2.65 0.23 0.00 0.00 176.35 174.99 1mw3 n PRO 380 N -0.79 -0.66 -1.60 1.29 -0.02 -1.26 -4.92 135.00 127.04 1mw3 n PRO 380 Ca -0.03 -0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 1mw3 n PRO 380 Cb 0.67 -2.29 0.08 0.00 -0.02 0.00 0.00 33.50 31.94 1mw3 n PRO 380 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1mw3 s GLU 381 N -4.48 2.37 -1.39 -0.52 2.02 -1.26 -3.15 118.70 112.29 1mw3 s GLU 381 Ca 0.66 1.82 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1mw3 s GLU 381 Cb -0.23 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1mw3 s GLU 381 CO 0.60 -1.67 0.00 0.72 0.02 0.00 0.00 175.26 174.93 1mw3 n HIS 382 N -2.36 -0.19 -4.12 1.61 8.25 -1.26 -4.63 115.22 112.51 1mw3 n HIS 382 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.51 1mw3 n HIS 382 Cb 0.50 -2.63 -0.10 0.00 1.12 0.00 0.00 29.99 28.88 1mw3 n HIS 382 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1mw3 s THR 383 N -2.57 0.44 0.07 1.59 -4.23 -1.19 -4.57 115.64 105.18 1mw3 s THR 383 Ca 0.00 -1.79 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1mw3 s THR 383 Cb 0.00 -1.49 0.04 0.00 1.34 0.00 0.00 72.50 72.38 1mw3 s THR 383 CO 0.00 -0.90 0.41 0.00 -0.54 0.00 0.00 174.62 173.59 1mw3 s ALA 384 N -3.57 -0.97 0.52 3.99 0.00 -0.41 -4.85 121.76 116.48 1mw3 s ALA 384 Ca 0.07 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1mw3 s ALA 384 Cb 0.05 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1mw3 s ALA 384 CO -0.07 -0.51 0.85 -1.58 0.00 0.00 0.00 175.76 174.45 1mw3 s TRP 385 N -2.91 3.55 -0.34 0.00 0.52 -1.26 -2.44 118.94 116.05 1mw3 s TRP 385 Ca -0.03 0.90 -0.00 0.00 0.02 0.00 0.00 56.10 56.99 1mw3 s TRP 385 Cb 0.00 -2.44 0.08 0.00 -1.15 0.00 0.00 33.47 29.96 1mw3 s TRP 385 CO -0.05 -0.43 0.07 0.08 0.02 0.00 0.00 176.95 176.64 1mw3 s VAL 386 N -2.87 2.86 -0.06 4.03 1.01 0.23 -0.92 120.40 124.68 1mw3 s VAL 386 Ca 0.50 -1.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 1mw3 s VAL 386 Cb -0.10 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1mw3 s VAL 386 CO 0.47 -0.41 0.52 0.20 0.00 0.00 0.00 175.10 175.88 1mw3 s ASN 387 N 1.36 6.83 0.23 3.32 0.01 -0.69 -1.77 114.94 124.22 1mw3 s ASN 387 Ca 0.03 0.99 0.01 0.00 -0.71 0.00 0.00 52.86 53.17 1mw3 s ASN 387 Cb -0.21 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1mw3 s ASN 387 CO -0.04 0.08 0.15 -0.72 -1.51 0.00 0.00 177.10 175.06 1mw3 s TYR 388 N 0.10 1.30 -0.12 2.20 1.13 -1.26 -0.74 117.35 119.95 1mw3 s TYR 388 Ca 0.28 -1.41 -0.02 0.00 -1.41 0.00 0.00 57.07 54.51 1mw3 s TYR 388 Cb -0.17 -0.62 -0.07 0.00 -1.10 0.00 0.00 41.96 40.01 1mw3 s TYR 388 CO 0.14 -0.65 -0.13 0.28 -2.51 0.00 0.00 175.55 172.68 1mw3 n VAL 389 N -0.35 0.69 -4.05 -3.49 0.31 -1.26 -4.39 118.33 105.80 1mw3 n VAL 389 Ca 0.03 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.02 1mw3 n VAL 389 Cb 0.65 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 1mw3 n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1mw3 s ARG 390 N -2.24 1.19 0.23 5.55 1.81 -1.26 -4.96 118.95 119.27 1mw3 s ARG 390 Ca -0.17 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.52 1mw3 s ARG 390 Cb 0.05 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.90 1mw3 s ARG 390 CO 0.26 -0.43 0.30 -1.13 -0.68 0.00 0.00 175.30 173.62 1mw3 n SER 391 N -0.23 -0.82 0.06 0.23 3.41 -1.26 -4.48 113.62 110.53 1mw3 n SER 391 Ca -0.04 -2.30 0.09 0.00 -0.26 0.00 0.00 58.87 56.36 1mw3 n SER 391 Cb 0.63 1.58 0.38 0.00 -0.26 0.00 0.00 64.21 66.54 1mw3 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mw3 n HIS 392 N -0.39 0.38 -3.26 7.33 1.44 -1.26 -4.76 115.22 114.69 1mw3 n HIS 392 Ca 0.01 0.16 -0.19 0.00 -2.01 0.00 0.00 57.72 55.69 1mw3 n HIS 392 Cb 0.39 -0.75 -0.00 0.00 0.12 0.00 0.00 29.99 29.75 1mw3 n HIS 392 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1mw3 s ASP 393 N -3.58 5.33 1.12 4.39 1.01 -1.26 -4.91 116.67 118.77 1mw3 s ASP 393 Ca 0.05 -0.62 -0.13 0.00 0.71 0.00 0.00 52.55 52.56 1mw3 s ASP 393 Cb 0.08 -0.49 0.26 0.00 1.01 0.00 0.00 42.92 43.79 1mw3 s ASP 393 CO 0.29 -0.79 1.05 1.51 0.21 0.00 0.00 175.17 177.44 1mw3 s ASP 394 N -4.29 1.40 -0.22 0.27 -4.77 -1.26 -4.94 116.67 102.86 1mw3 s ASP 394 Ca 0.52 1.37 -0.10 0.00 -3.30 0.00 0.00 52.55 51.04 1mw3 s ASP 394 Cb -0.07 -2.12 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 1mw3 s ASP 394 CO 0.31 -3.92 0.14 -0.63 0.70 0.00 0.00 175.17 171.78 1mw3 s ILE 395 N -2.63 5.34 -0.03 2.11 1.01 0.19 -4.89 121.20 122.31 1mw3 s ILE 395 Ca 0.68 0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1mw3 s ILE 395 Cb -0.23 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1mw3 s ILE 395 CO 0.62 0.39 -0.12 -0.83 0.00 0.00 0.00 174.94 175.00 1mw3 s GLY 396 N 0.78 1.61 -1.32 6.18 0.00 -1.26 -1.41 107.32 111.89 1mw3 s GLY 396 Ca 0.07 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1mw3 s GLY 396 CO 0.02 -0.83 1.98 0.79 0.00 0.00 0.00 173.10 175.06 1mw3 n TRP 397 N 2.01 3.00 -0.68 1.90 7.02 -1.26 -4.75 117.44 124.68 1mw3 n TRP 397 Ca -0.17 -2.82 -0.07 0.00 -1.02 0.00 0.00 57.50 53.42 1mw3 n TRP 397 Cb 0.52 -2.05 0.01 0.00 -2.42 0.00 0.00 31.31 27.37 1mw3 n TRP 397 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1mw3 n THR 398 N 3.55 2.35 -2.54 -0.99 -2.24 -1.26 -4.90 114.28 108.24 1mw3 n THR 398 Ca 0.43 -1.01 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 1mw3 n THR 398 Cb 0.36 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1mw3 n THR 398 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1mw3 s PHE 399 N -0.65 3.55 -0.04 4.78 -0.12 -1.26 -4.30 117.98 119.93 1mw3 s PHE 399 Ca 0.15 0.85 -0.28 0.00 -0.05 0.00 0.00 56.93 57.60 1mw3 s PHE 399 Cb 0.11 -2.38 -0.03 0.00 -0.63 0.00 0.00 43.02 40.09 1mw3 s PHE 399 CO -0.01 -0.36 0.89 0.00 -0.05 0.00 0.00 175.22 175.70 1mw3 s ALA 400 N -2.81 3.26 0.36 1.99 0.00 -1.26 -4.90 121.76 118.40 1mw3 s ALA 400 Ca 0.49 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1mw3 s ALA 400 Cb -0.10 -3.23 0.69 0.00 0.00 0.00 0.00 23.12 20.48 1mw3 s ALA 400 CO 0.46 -0.26 1.95 -0.44 0.00 0.00 0.00 175.76 177.47 1mw3 h ASP 401 N 6.85 0.50 -0.57 0.00 3.32 -1.97 -1.26 116.42 123.28 1mw3 h ASP 401 Ca -0.39 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1mw3 h ASP 401 Cb 1.20 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1mw3 h ASP 401 CO 0.77 0.48 0.20 -0.33 -1.72 0.00 0.00 179.24 178.64 1mw3 h GLU 402 N 0.55 0.88 -0.23 3.56 3.07 -1.96 0.79 114.58 121.23 1mw3 h GLU 402 Ca 0.13 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1mw3 h GLU 402 Cb 0.16 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1mw3 h GLU 402 CO -0.01 0.77 0.10 -0.44 -1.40 0.00 0.00 179.01 178.03 1mw3 h ASP 403 N 0.80 0.32 -0.75 1.42 3.32 -1.80 -2.77 116.42 116.96 1mw3 h ASP 403 Ca 0.19 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1mw3 h ASP 403 Cb 0.25 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1mw3 h ASP 403 CO -0.01 0.39 0.41 0.00 -1.72 0.00 0.00 179.24 178.31 1mw3 h ALA 404 N 0.94 1.28 -0.28 3.45 0.00 -1.00 -2.11 119.26 121.54 1mw3 h ALA 404 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mw3 h ALA 404 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mw3 h ALA 404 CO -0.01 0.58 0.19 0.00 0.00 0.00 0.00 179.25 180.01 1mw3 h ALA 405 N 1.38 1.84 0.00 0.00 0.00 -0.57 0.79 119.26 122.70 1mw3 h ALA 405 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1mw3 h ALA 405 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mw3 h ALA 405 CO -0.04 0.14 -0.12 1.88 0.00 0.00 0.00 179.25 181.11 1mw3 h TYR 406 N 0.35 0.00 -0.52 0.00 0.99 -1.18 -1.97 116.97 114.65 1mw3 h TYR 406 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1mw3 h TYR 406 Cb 0.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.74 1mw3 h TYR 406 CO -0.00 0.12 0.00 1.28 -0.00 0.00 0.00 178.16 179.56 1mw3 n LEU 407 N -3.54 3.49 -0.43 3.88 4.77 0.12 -4.93 117.00 120.36 1mw3 n LEU 407 Ca -0.01 -1.62 -0.05 0.00 -0.03 0.00 0.00 56.01 54.30 1mw3 n LEU 407 Cb 0.26 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1mw3 n LEU 407 CO 0.30 0.81 -0.05 0.61 -1.33 0.00 0.00 177.39 177.72 1mw3 n GLY 408 N 1.54 0.48 3.45 -0.72 0.00 -0.74 -5.03 105.19 104.17 1mw3 n GLY 408 Ca 0.21 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1mw3 n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mw3 s ILE 409 N -2.20 3.55 -0.39 -0.61 1.01 -0.32 -5.00 121.20 117.24 1mw3 s ILE 409 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 1mw3 s ILE 409 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1mw3 s ILE 409 CO 0.00 0.51 0.86 -0.55 0.00 0.00 0.00 174.94 175.76 1mw3 s SER 410 N 0.30 6.57 0.17 3.58 0.15 -1.26 -3.05 113.70 120.17 1mw3 s SER 410 Ca -0.06 0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.76 1mw3 s SER 410 Cb -0.15 -2.43 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1mw3 s SER 410 CO 0.04 -0.85 1.65 1.23 1.20 0.00 0.00 173.24 176.51 1mw3 h GLY 411 N 10.05 0.24 0.84 9.45 0.00 -1.92 0.38 103.07 122.11 1mw3 h GLY 411 Ca -0.24 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1mw3 h GLY 411 CO 0.96 -0.18 -0.09 -1.82 0.00 0.00 0.00 176.54 175.41 1mw3 h TYR 412 N -0.05 -0.23 -0.76 5.60 5.03 -1.98 -1.26 116.97 123.33 1mw3 h TYR 412 Ca 0.21 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1mw3 h TYR 412 Cb 0.36 0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 1mw3 h TYR 412 CO -0.40 -0.14 0.35 -0.44 -1.32 0.00 0.00 178.16 176.21 1mw3 h ASP 413 N -0.18 1.00 -0.57 -2.11 3.32 -1.91 -2.60 116.42 113.36 1mw3 h ASP 413 Ca 0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1mw3 h ASP 413 Cb 0.19 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1mw3 h ASP 413 CO -0.05 0.86 0.29 -0.74 -1.72 0.00 0.00 179.24 177.88 1mw3 h HIS 414 N 1.08 0.81 -0.35 4.55 2.76 -0.54 -2.28 115.15 121.18 1mw3 h HIS 414 Ca 0.26 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1mw3 h HIS 414 Cb 0.14 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1mw3 h HIS 414 CO 0.01 0.61 -0.04 0.00 -1.30 0.00 0.00 177.93 177.21 1mw3 h ARG 415 N 0.77 0.56 -0.71 5.26 3.08 -1.04 -0.88 114.38 121.42 1mw3 h ARG 415 Ca 0.20 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1mw3 h ARG 415 Cb 0.09 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1mw3 h ARG 415 CO -0.03 0.62 0.46 1.96 -1.07 0.00 0.00 179.97 181.91 1mw3 h GLN 416 N 0.53 0.89 0.10 0.04 1.08 -1.06 0.14 115.11 116.83 1mw3 h GLN 416 Ca 0.11 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1mw3 h GLN 416 Cb 0.41 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1mw3 h GLN 416 CO 0.02 0.59 -0.05 0.35 -0.95 0.00 0.00 178.83 178.79 1mw3 h PHE 417 N 0.92 -0.12 -0.83 2.96 3.57 -0.85 -2.44 116.94 120.16 1mw3 h PHE 417 Ca 0.28 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.86 1mw3 h PHE 417 Cb -0.04 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1mw3 h PHE 417 CO -0.03 0.19 0.49 -0.07 -2.23 0.00 0.00 178.31 176.65 1mw3 h LEU 418 N -0.43 0.71 -0.58 0.59 3.38 -0.90 0.86 115.31 118.95 1mw3 h LEU 418 Ca -0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1mw3 h LEU 418 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1mw3 h LEU 418 CO 0.02 0.42 0.02 0.78 0.09 0.00 0.00 178.44 179.77 1mw3 h ASN 419 N 0.83 0.99 -0.39 -0.43 -0.26 -0.97 -1.11 115.58 114.24 1mw3 h ASN 419 Ca 0.39 -0.30 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1mw3 h ASN 419 Cb 0.31 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 1mw3 h ASN 419 CO -0.23 1.04 -0.04 0.03 -1.06 0.00 0.00 177.43 177.18 1mw3 h ARG 420 N 0.90 0.71 -0.14 0.81 3.08 -0.85 -3.02 114.38 115.88 1mw3 h ARG 420 Ca 0.17 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1mw3 h ARG 420 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1mw3 h ARG 420 CO 0.03 0.83 0.08 0.35 -1.07 0.00 0.00 179.97 180.18 1mw3 h PHE 421 N 0.53 0.18 0.00 3.04 3.04 -0.67 0.50 116.94 123.56 1mw3 h PHE 421 Ca 0.11 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1mw3 h PHE 421 Cb 0.53 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1mw3 h PHE 421 CO 0.04 0.16 0.00 1.19 -2.02 0.00 0.00 178.31 177.68 1mw3 n PHE 422 N -4.97 0.00 -0.91 0.41 3.72 -0.44 -2.19 117.46 113.10 1mw3 n PHE 422 Ca -0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1mw3 n PHE 422 Cb 0.05 -0.30 0.22 0.00 -0.94 0.00 0.00 39.48 38.51 1mw3 n PHE 422 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1mw3 n VAL 423 N -1.30 2.06 -3.48 -4.37 0.24 -1.14 -0.82 118.33 109.51 1mw3 n VAL 423 Ca 0.11 -1.85 -0.19 0.00 -2.04 0.00 0.00 64.34 60.37 1mw3 n VAL 423 Cb 0.20 -0.16 0.09 0.00 -1.47 0.00 0.00 33.84 32.49 1mw3 n VAL 423 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1mw3 n ASN 424 N -0.59 -3.00 -1.39 -1.34 5.15 -0.93 -4.73 115.26 108.43 1mw3 n ASN 424 Ca 0.19 -0.61 -0.08 0.00 -0.60 0.00 0.00 54.58 53.48 1mw3 n ASN 424 Cb 0.78 -5.06 0.11 0.00 -0.53 0.00 0.00 39.78 35.08 1mw3 n ASN 424 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1mw3 n ARG 425 N -4.34 2.40 -3.75 1.20 5.12 0.17 -4.98 116.66 112.49 1mw3 n ARG 425 Ca -0.22 -3.63 -0.14 0.00 -1.93 0.00 0.00 57.85 51.93 1mw3 n ARG 425 Cb 0.64 -1.82 -0.15 0.00 -1.16 0.00 0.00 32.46 29.98 1mw3 n ARG 425 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1mw3 s PHE 426 N -3.25 -0.12 -0.03 -1.55 5.36 -1.23 -4.65 117.98 112.50 1mw3 s PHE 426 Ca 0.43 0.41 -0.37 0.00 -0.96 0.00 0.00 56.93 56.44 1mw3 s PHE 426 Cb 0.39 -0.13 -0.16 0.00 -0.34 0.00 0.00 43.02 42.78 1mw3 s PHE 426 CO -0.03 -0.15 1.51 -3.47 -1.46 0.00 0.00 175.22 171.62 1mw3 n ASP 427 N 4.25 2.07 0.00 6.13 -0.08 -1.26 -1.49 116.55 126.17 1mw3 n ASP 427 Ca -0.26 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1mw3 n ASP 427 Cb 0.51 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1mw3 n ASP 427 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mw3 n GLY 428 N 3.20 1.96 3.74 0.27 0.00 -1.26 -5.02 105.19 108.08 1mw3 n GLY 428 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1mw3 n GLY 428 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mw3 n SER 429 N 0.00 3.42 -0.48 1.61 2.88 -0.56 -4.89 113.62 115.60 1mw3 n SER 429 Ca 0.00 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 1mw3 n SER 429 Cb 0.00 -1.56 0.11 0.00 -0.75 0.00 0.00 64.21 62.01 1mw3 n SER 429 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1mw3 n PHE 430 N 0.88 0.00 -2.88 0.66 1.16 -1.26 -4.96 117.46 111.06 1mw3 n PHE 430 Ca 0.05 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.24 1mw3 n PHE 430 Cb 0.37 -0.03 -0.06 0.00 -1.61 0.00 0.00 39.48 38.15 1mw3 n PHE 430 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1mw3 s ALA 431 N -2.43 3.35 -0.45 1.98 0.00 -1.26 -2.46 121.76 120.49 1mw3 s ALA 431 Ca 0.21 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.70 1mw3 s ALA 431 Cb 0.19 -3.07 0.39 0.00 0.00 0.00 0.00 23.12 20.63 1mw3 s ALA 431 CO 0.53 0.24 0.96 0.54 0.00 0.00 0.00 175.76 178.04 1mw3 n ARG 432 N 1.12 2.52 -2.53 0.00 5.12 -0.26 -3.60 116.66 119.03 1mw3 n ARG 432 Ca -0.02 -4.20 -0.24 0.00 -1.93 0.00 0.00 57.85 51.46 1mw3 n ARG 432 Cb 0.49 -1.97 0.11 0.00 -1.16 0.00 0.00 32.46 29.93 1mw3 n ARG 432 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1mw3 s GLY 433 N -3.24 1.76 -0.01 -0.13 0.00 -0.00 -4.71 107.32 100.97 1mw3 s GLY 433 Ca 0.43 -1.66 0.05 0.00 0.00 0.00 0.00 44.72 43.54 1mw3 s GLY 433 CO -0.11 -1.09 -0.16 0.14 0.00 0.00 0.00 173.10 171.88 1mw3 s VAL 434 N -3.19 1.24 0.60 1.40 1.01 0.59 -4.40 120.40 117.65 1mw3 s VAL 434 Ca 0.66 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1mw3 s VAL 434 Cb -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1mw3 s VAL 434 CO 0.45 0.35 1.28 -2.84 0.00 0.00 0.00 175.10 174.34 1mw3 s PRO 435 N -0.32 2.83 -0.08 2.72 0.02 -1.26 0.03 135.00 138.94 1mw3 s PRO 435 Ca 0.05 2.04 -0.03 0.00 0.02 0.00 0.00 61.00 63.08 1mw3 s PRO 435 Cb -0.07 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.52 1mw3 s PRO 435 CO -0.00 -1.38 0.13 0.12 -0.33 0.00 0.00 177.00 175.54 1mw3 s PHE 436 N -1.42 -0.08 -1.12 6.54 5.36 0.25 -4.71 117.98 122.81 1mw3 s PHE 436 Ca 0.78 0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 57.10 1mw3 s PHE 436 Cb -0.36 -0.37 -0.04 0.00 -0.34 0.00 0.00 43.02 41.90 1mw3 s PHE 436 CO 0.40 -0.28 0.92 1.04 -1.46 0.00 0.00 175.22 175.83 1mw3 n GLN 437 N 5.31 -3.58 -2.22 10.12 1.13 -1.26 -0.81 117.38 126.07 1mw3 n GLN 437 Ca -0.04 0.81 -0.42 0.00 -1.94 0.00 0.00 57.00 55.41 1mw3 n GLN 437 Cb 0.50 -5.66 -0.03 0.00 0.11 0.00 0.00 30.24 25.16 1mw3 n GLN 437 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1mw3 s TYR 438 N -3.41 2.72 -0.43 1.08 5.04 -1.26 -4.23 117.35 116.87 1mw3 s TYR 438 Ca 0.30 0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 55.58 1mw3 s TYR 438 Cb -0.05 -3.68 0.08 0.00 0.35 0.00 0.00 41.96 38.66 1mw3 s TYR 438 CO 0.75 -2.54 0.29 1.21 -1.34 0.00 0.00 175.55 173.92 1mw3 s ASN 439 N 2.11 5.73 0.47 4.32 3.84 0.84 -4.88 114.94 127.36 1mw3 s ASN 439 Ca 0.64 -1.49 0.22 0.00 0.21 0.00 0.00 52.86 52.44 1mw3 s ASN 439 Cb -0.30 -2.02 1.22 0.00 -0.55 0.00 0.00 41.25 39.60 1mw3 s ASN 439 CO 0.25 -0.56 1.90 -0.65 -2.79 0.00 0.00 177.10 175.25 1mw3 h PRO 440 N 8.47 0.24 0.00 0.43 0.11 -1.93 0.39 132.00 139.71 1mw3 h PRO 440 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1mw3 h PRO 440 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1mw3 h PRO 440 CO 0.78 0.16 -0.31 -1.13 -0.21 0.00 0.00 178.00 177.29 1mw3 n SER 441 N -4.43 0.36 0.00 -2.05 3.41 -1.26 -4.25 113.62 105.40 1mw3 n SER 441 Ca 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1mw3 n SER 441 Cb 0.71 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1mw3 n SER 441 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mw3 n THR 442 N -1.61 0.00 -0.52 6.66 -2.24 -0.79 -5.01 114.28 110.77 1mw3 n THR 442 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1mw3 n THR 442 Cb 0.35 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1mw3 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mw3 n GLY 443 N 1.84 1.11 3.79 3.38 0.00 0.13 -5.03 105.19 110.41 1mw3 n GLY 443 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1mw3 n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mw3 s ASP 444 N -3.08 6.16 -0.16 1.61 2.15 -1.24 -4.79 116.67 117.32 1mw3 s ASP 444 Ca 0.00 2.03 -0.28 0.00 0.43 0.00 0.00 52.55 54.72 1mw3 s ASP 444 Cb 0.00 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.14 1mw3 s ASP 444 CO 0.00 -0.91 0.80 0.00 -0.17 0.00 0.00 175.17 174.89 1mw3 s ARG 446 N -0.58 2.15 -0.07 0.00 3.00 0.01 -4.78 118.95 118.68 1mw3 s ARG 446 Ca -0.04 -1.97 0.05 0.00 0.00 0.00 0.00 55.73 53.76 1mw3 s ARG 446 Cb -0.02 -1.85 -0.01 0.00 0.00 0.00 0.00 34.95 33.06 1mw3 s ARG 446 CO 0.04 -0.14 -0.23 0.08 0.00 0.00 0.00 175.30 175.05 1mw3 s VAL 447 N -2.66 2.24 0.15 3.52 1.01 -0.50 -0.58 120.40 123.57 1mw3 s VAL 447 Ca 0.36 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1mw3 s VAL 447 Cb 0.05 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1mw3 s VAL 447 CO 0.20 0.57 -0.01 -0.44 0.00 0.00 0.00 175.10 175.41 1mw3 s SER 448 N -0.10 4.78 0.00 3.32 0.01 0.10 0.57 113.70 122.38 1mw3 s SER 448 Ca -0.05 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1mw3 s SER 448 Cb -0.14 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1mw3 s SER 448 CO 0.04 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1mw3 n GLY 449 N 0.10 4.65 3.86 3.44 0.00 -1.26 -0.30 105.19 115.67 1mw3 n GLY 449 Ca -0.10 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1mw3 n GLY 449 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mw3 s THR 450 N -2.00 3.88 0.27 2.61 -4.23 -1.26 -4.78 115.64 110.12 1mw3 s THR 450 Ca 0.00 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1mw3 s THR 450 Cb 0.00 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.58 1mw3 s THR 450 CO 0.00 -0.80 1.82 0.00 -0.54 0.00 0.00 174.62 175.10 1mw3 h ALA 451 N -0.64 1.41 -0.31 3.99 0.00 -1.95 -1.14 119.26 120.62 1mw3 h ALA 451 Ca -0.45 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1mw3 h ALA 451 Cb 1.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1mw3 h ALA 451 CO 0.61 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.82 1mw3 h ALA 452 N 1.52 1.09 -0.07 0.00 0.00 -1.89 -2.31 119.26 117.60 1mw3 h ALA 452 Ca 0.47 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1mw3 h ALA 452 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mw3 h ALA 452 CO -0.27 0.56 -0.69 0.00 0.00 0.00 0.00 179.25 178.85 1mw3 h ALA 453 N 1.28 0.69 0.00 0.00 0.00 -1.56 -1.00 119.26 118.67 1mw3 h ALA 453 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mw3 h ALA 453 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mw3 h ALA 453 CO 0.04 0.77 0.00 -0.07 0.00 0.00 0.00 179.25 179.99 1mw3 h LEU 454 N 0.23 0.00 -1.01 0.00 3.38 -1.04 -0.67 115.31 116.19 1mw3 h LEU 454 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mw3 h LEU 454 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1mw3 h LEU 454 CO 0.11 0.00 -0.40 1.33 0.09 0.00 0.00 178.44 179.57 1mw3 n VAL 455 N -3.07 0.00 -0.02 1.22 0.24 -0.89 -3.98 118.33 111.84 1mw3 n VAL 455 Ca 0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1mw3 n VAL 455 Cb 0.43 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1mw3 n VAL 455 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mw3 n GLY 456 N 1.40 0.99 0.21 7.63 0.00 -1.03 -4.25 105.19 110.15 1mw3 n GLY 456 Ca 0.10 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1mw3 n GLY 456 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mw3 h LEU 457 N 0.00 0.00 -1.46 0.99 5.85 -1.43 0.02 115.31 119.28 1mw3 h LEU 457 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1mw3 h LEU 457 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1mw3 h LEU 457 CO 0.00 0.29 0.38 0.00 -0.34 0.00 0.00 178.44 178.77 1mw3 h ALA 458 N 1.71 1.63 -0.59 1.25 0.00 -1.86 -0.94 119.26 120.46 1mw3 h ALA 458 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1mw3 h ALA 458 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1mw3 h ALA 458 CO 0.04 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1mw3 n GLN 459 N -4.46 3.14 -3.39 0.00 0.00 -1.13 -4.97 117.38 106.57 1mw3 n GLN 459 Ca 0.06 -2.63 -0.19 0.00 0.00 0.00 0.00 57.00 54.24 1mw3 n GLN 459 Cb 0.08 -1.64 0.07 0.00 0.00 0.00 0.00 30.24 28.75 1mw3 n GLN 459 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1mw3 n ASP 460 N 1.09 -5.10 -4.72 2.61 8.00 -0.36 -4.93 116.55 113.14 1mw3 n ASP 460 Ca 0.22 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 1mw3 n ASP 460 Cb 0.70 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.41 1mw3 n ASP 460 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mw3 n ASP 461 N -2.40 4.00 0.14 -2.24 -0.08 -0.03 -4.83 116.55 111.11 1mw3 n ASP 461 Ca -0.04 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.41 1mw3 n ASP 461 Cb 0.57 -1.57 0.53 0.00 2.34 0.00 0.00 41.12 42.98 1mw3 n ASP 461 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1mw3 n PRO 462 N 4.02 0.14 0.00 -0.67 -0.04 -1.26 -1.57 135.00 135.62 1mw3 n PRO 462 Ca 0.16 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 1mw3 n PRO 462 Cb 0.35 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 31.88 1mw3 n PRO 462 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1mw3 n HIS 463 N -2.19 0.00 -0.12 0.54 8.25 -1.26 -4.59 115.22 115.85 1mw3 n HIS 463 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1mw3 n HIS 463 Cb 0.06 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 1mw3 n HIS 463 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mw3 h ALA 464 N 3.33 -0.49 -0.68 -1.41 0.00 -1.46 0.12 119.26 118.66 1mw3 h ALA 464 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1mw3 h ALA 464 Cb 0.59 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1mw3 h ALA 464 CO 0.00 -0.89 0.40 0.28 0.00 0.00 0.00 179.25 179.03 1mw3 h VAL 465 N -0.35 1.01 -0.36 0.00 2.07 -1.81 -2.26 116.25 114.54 1mw3 h VAL 465 Ca 0.12 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1mw3 h VAL 465 Cb 0.59 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1mw3 h VAL 465 CO -0.56 0.14 -0.12 0.44 0.02 0.00 0.00 177.57 177.49 1mw3 h ASP 466 N 0.75 0.62 -0.54 0.57 3.32 -1.69 -2.38 116.42 117.07 1mw3 h ASP 466 Ca 0.30 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1mw3 h ASP 466 Cb 0.13 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1mw3 h ASP 466 CO -0.16 0.77 0.26 0.03 -1.72 0.00 0.00 179.24 178.42 1mw3 h ARG 467 N 0.58 0.78 -0.51 3.56 3.08 -0.47 -0.65 114.38 120.75 1mw3 h ARG 467 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mw3 h ARG 467 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1mw3 h ARG 467 CO 0.03 0.65 0.32 0.82 -1.07 0.00 0.00 179.97 180.73 1mw3 h ILE 468 N 0.73 1.14 -0.70 2.04 2.04 -1.15 -1.14 117.51 120.47 1mw3 h ILE 468 Ca 0.18 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1mw3 h ILE 468 Cb 0.13 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1mw3 h ILE 468 CO -0.02 0.14 0.34 0.50 0.00 0.00 0.00 178.15 179.12 1mw3 h LYS 469 N 0.69 1.00 -0.19 2.37 3.64 -1.19 -1.80 116.57 121.09 1mw3 h LYS 469 Ca 0.19 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mw3 h LYS 469 Cb -0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1mw3 h LYS 469 CO -0.04 0.78 0.11 1.25 -2.27 0.00 0.00 179.45 179.28 1mw3 h LEU 470 N 0.97 0.23 0.19 5.20 5.85 -0.63 -0.11 115.31 127.00 1mw3 h LEU 470 Ca 0.24 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1mw3 h LEU 470 Cb 0.10 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1mw3 h LEU 470 CO -0.03 0.23 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.12 1mw3 h LEU 471 N 0.21 -0.28 -1.39 2.25 3.38 -1.00 -2.72 115.31 115.76 1mw3 h LEU 471 Ca 0.07 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1mw3 h LEU 471 Cb 0.05 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1mw3 h LEU 471 CO -0.01 -0.19 -0.11 1.88 0.09 0.00 0.00 178.44 180.10 1mw3 h TYR 472 N -0.29 0.27 -0.96 1.13 0.05 -1.29 -2.73 116.97 113.15 1mw3 h TYR 472 Ca -0.02 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1mw3 h TYR 472 Cb 0.24 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 1mw3 h TYR 472 CO -0.08 0.38 0.60 0.66 -1.05 0.00 0.00 178.16 178.66 1mw3 h SER 473 N 0.25 1.14 -0.18 3.88 4.64 -0.71 -1.05 113.55 121.52 1mw3 h SER 473 Ca 0.05 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1mw3 h SER 473 Cb 0.36 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1mw3 h SER 473 CO 0.02 0.86 -0.44 0.40 -0.87 0.00 0.00 176.83 176.79 1mw3 h ILE 474 N 1.32 1.29 -0.04 0.95 2.04 -1.27 -1.91 117.51 119.89 1mw3 h ILE 474 Ca 0.35 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 1mw3 h ILE 474 Cb -0.09 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1mw3 h ILE 474 CO -0.07 0.53 -0.53 0.00 0.00 0.00 0.00 178.15 178.08 1mw3 h ALA 475 N 0.91 1.05 0.00 1.87 0.00 -1.33 -2.05 119.26 119.71 1mw3 h ALA 475 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mw3 h ALA 475 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mw3 h ALA 475 CO 0.09 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.76 1mw3 h LEU 476 N 0.08 0.00 -0.34 0.00 3.38 -1.09 -3.39 115.31 113.95 1mw3 h LEU 476 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mw3 h LEU 476 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1mw3 h LEU 476 CO 0.07 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 1mw3 n SER 477 N -2.67 0.34 0.21 -0.43 3.41 -0.73 -4.73 113.62 109.03 1mw3 n SER 477 Ca 0.04 -0.66 0.09 0.00 -0.26 0.00 0.00 58.87 58.07 1mw3 n SER 477 Cb 0.49 0.61 0.38 0.00 -0.26 0.00 0.00 64.21 65.43 1mw3 n SER 477 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1mw3 h THR 478 N 0.02 0.61 0.00 6.66 1.35 -1.57 -3.47 112.91 116.50 1mw3 h THR 478 Ca 0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1mw3 h THR 478 Cb 0.01 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1mw3 h THR 478 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1mw3 n GLY 479 N 0.33 2.18 0.00 5.82 0.00 -1.26 -4.55 105.19 107.71 1mw3 n GLY 479 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1mw3 n GLY 479 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw3 n GLY 480 N 0.58 0.94 3.55 -0.02 0.00 -1.24 -4.65 105.19 104.35 1mw3 n GLY 480 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1mw3 n GLY 480 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mw3 s LEU 481 N 0.00 4.38 0.23 0.99 0.20 -0.10 -4.88 118.68 119.50 1mw3 s LEU 481 Ca 0.00 -0.08 -0.30 0.00 0.69 0.00 0.00 54.13 54.44 1mw3 s LEU 481 Cb 0.00 -2.68 -0.09 0.00 -0.43 0.00 0.00 46.19 42.99 1mw3 s LEU 481 CO 0.00 -0.60 1.06 -2.16 -0.29 0.00 0.00 176.35 174.36 1mw3 s PRO 482 N 2.61 4.67 -0.19 0.98 0.04 -1.26 -1.71 135.00 140.14 1mw3 s PRO 482 Ca 0.21 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1mw3 s PRO 482 Cb -0.15 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1mw3 s PRO 482 CO 0.15 0.22 -0.17 -1.17 0.04 0.00 0.00 177.00 176.08 1mw3 s LEU 483 N -0.93 2.28 -0.13 -3.56 2.96 0.08 -0.32 118.68 119.06 1mw3 s LEU 483 Ca 0.46 -0.77 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 1mw3 s LEU 483 Cb -0.29 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1mw3 s LEU 483 CO 0.36 -0.06 0.44 -0.63 -1.32 0.00 0.00 176.35 175.15 1mw3 s ILE 484 N 1.30 5.21 -0.69 6.68 1.01 0.03 -4.31 121.20 130.44 1mw3 s ILE 484 Ca 0.02 0.87 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 1mw3 s ILE 484 Cb -0.14 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.59 1mw3 s ILE 484 CO -0.11 0.34 1.19 -0.47 0.00 0.00 0.00 174.94 175.89 1mw3 s TYR 485 N 0.61 2.43 0.02 3.97 5.04 -1.26 -1.65 117.35 126.51 1mw3 s TYR 485 Ca 0.24 -0.08 -0.37 0.00 -2.44 0.00 0.00 57.07 54.42 1mw3 s TYR 485 Cb -0.15 -4.52 -0.16 0.00 0.35 0.00 0.00 41.96 37.49 1mw3 s TYR 485 CO 0.09 -1.89 1.50 1.28 -1.34 0.00 0.00 175.55 175.19 1mw3 n LEU 486 N 8.82 2.20 0.00 6.97 4.77 -0.88 -1.28 117.00 137.59 1mw3 n LEU 486 Ca 0.02 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1mw3 n LEU 486 Cb 0.48 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1mw3 n LEU 486 CO 0.69 -0.71 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1mw3 n GLY 487 N 3.13 0.65 0.20 -0.72 0.00 -1.26 -4.91 105.19 102.29 1mw3 n GLY 487 Ca 0.20 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1mw3 n GLY 487 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mw3 h ASP 488 N 1.95 0.00 0.06 1.61 5.19 -1.52 -2.20 116.42 121.51 1mw3 h ASP 488 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1mw3 h ASP 488 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1mw3 h ASP 488 CO 0.00 0.29 0.00 -1.84 -3.12 0.00 0.00 179.24 174.57 1mw3 n GLU 489 N -4.09 0.36 0.00 3.56 0.00 -1.26 -2.03 120.64 117.18 1mw3 n GLU 489 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1mw3 n GLU 489 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1mw3 n GLU 489 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1mw3 n VAL 490 N -1.07 0.37 -2.39 3.84 0.24 -1.09 -2.00 118.33 116.23 1mw3 n VAL 490 Ca 0.09 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.34 61.96 1mw3 n VAL 490 Cb 0.06 0.82 0.01 0.00 -1.47 0.00 0.00 33.84 33.26 1mw3 n VAL 490 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mw3 n GLY 491 N -0.18 0.28 3.70 7.63 0.00 -0.86 -4.06 105.19 111.70 1mw3 n GLY 491 Ca 0.00 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1mw3 n GLY 491 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mw3 n THR 492 N -3.69 0.24 -2.31 2.61 -1.04 -0.85 -4.85 114.28 104.39 1mw3 n THR 492 Ca -0.04 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1mw3 n THR 492 Cb 0.54 -2.05 0.14 0.00 -1.82 0.00 0.00 70.33 67.15 1mw3 n THR 492 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1mw3 n LEU 493 N 5.03 0.00 -4.71 -4.42 4.77 -1.26 -4.36 117.00 112.04 1mw3 n LEU 493 Ca 0.17 -1.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.09 1mw3 n LEU 493 Cb 0.36 -0.75 0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1mw3 n LEU 493 CO 0.65 -1.13 0.70 0.20 -1.33 0.00 0.00 177.39 176.48 1mw3 s ASN 494 N -5.14 3.67 -1.23 -1.43 0.01 -1.26 -4.75 114.94 104.81 1mw3 s ASN 494 Ca 0.66 2.08 -0.13 0.00 -0.71 0.00 0.00 52.86 54.76 1mw3 s ASN 494 Cb -0.03 -2.55 0.17 0.00 0.41 0.00 0.00 41.25 39.25 1mw3 s ASN 494 CO 0.45 -2.60 1.53 -0.67 -1.51 0.00 0.00 177.10 174.30 1mw3 n ASP 495 N -3.76 5.19 -0.62 -1.22 -0.08 0.12 -4.84 116.55 111.34 1mw3 n ASP 495 Ca 0.11 -3.00 0.49 0.00 -1.51 0.00 0.00 54.79 50.88 1mw3 n ASP 495 Cb 0.52 -1.56 0.77 0.00 2.34 0.00 0.00 41.12 43.19 1mw3 n ASP 495 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1mw3 h ASP 496 N 6.85 0.00 -0.59 1.67 3.04 -1.91 -0.45 116.42 125.03 1mw3 h ASP 496 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 1mw3 h ASP 496 Cb 0.82 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.11 1mw3 h ASP 496 CO 1.33 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 179.00 1mw3 n ASP 497 N -3.84 5.36 -0.23 4.15 10.43 -1.26 -4.53 116.55 126.63 1mw3 n ASP 497 Ca 0.41 -2.76 -0.03 0.00 2.57 0.00 0.00 54.79 54.97 1mw3 n ASP 497 Cb 1.92 -0.65 0.15 0.00 1.84 0.00 0.00 41.12 44.38 1mw3 n ASP 497 CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 1mw3 h TRP 498 N 3.98 1.04 0.00 1.24 5.08 -1.40 -2.56 115.95 123.33 1mw3 h TRP 498 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 58.89 59.92 1mw3 h TRP 498 Cb 1.79 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 27.63 1mw3 h TRP 498 CO 0.98 0.77 0.00 -1.13 -1.28 0.00 0.00 178.44 177.79 1mw3 n SER 499 N -4.31 0.00 0.01 0.11 3.41 -1.26 -2.03 113.62 109.54 1mw3 n SER 499 Ca 0.07 -0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1mw3 n SER 499 Cb 0.15 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1mw3 n SER 499 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mw3 n GLN 500 N -1.07 0.07 -3.16 4.33 6.02 -0.96 -4.59 117.38 118.01 1mw3 n GLN 500 Ca 0.08 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 1mw3 n GLN 500 Cb 0.05 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 1mw3 n GLN 500 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1mw3 s ASP 501 N -3.21 6.34 0.65 1.08 -1.08 -0.86 -4.93 116.67 114.66 1mw3 s ASP 501 Ca 0.08 -0.15 0.32 0.00 -0.52 0.00 0.00 52.55 52.28 1mw3 s ASP 501 Cb 0.16 -2.30 1.76 0.00 -1.46 0.00 0.00 42.92 41.08 1mw3 s ASP 501 CO 0.79 -0.64 2.02 0.77 0.52 0.00 0.00 175.17 178.63 1mw3 h SER 502 N 8.65 0.00 0.80 -0.34 4.64 -1.87 0.46 113.55 125.89 1mw3 h SER 502 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1mw3 h SER 502 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1mw3 h SER 502 CO 0.84 0.00 -0.26 0.59 -0.87 0.00 0.00 176.83 177.13 1mw3 n ASN 503 N -3.15 0.31 0.00 4.97 5.03 -1.26 -4.13 115.26 117.03 1mw3 n ASN 503 Ca -0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1mw3 n ASN 503 Cb 0.35 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1mw3 n ASN 503 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1mw3 n LYS 504 N -1.59 0.71 -0.15 3.52 5.02 0.12 -4.77 118.16 121.02 1mw3 n LYS 504 Ca 0.06 0.00 0.28 0.00 -2.02 0.00 0.00 58.31 56.63 1mw3 n LYS 504 Cb 0.35 -0.96 0.65 0.00 -0.02 0.00 0.00 35.03 35.04 1mw3 n LYS 504 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1mw3 h SER 505 N 0.00 0.00 -0.67 4.39 4.64 -0.48 0.14 113.55 121.56 1mw3 h SER 505 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mw3 h SER 505 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1mw3 h SER 505 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1mw3 n ASP 506 N -3.65 4.68 -3.51 4.97 5.75 -1.26 -4.71 116.55 118.81 1mw3 n ASP 506 Ca 0.19 -2.38 -0.29 0.00 -0.01 0.00 0.00 54.79 52.30 1mw3 n ASP 506 Cb 1.15 -0.57 -0.12 0.00 -1.03 0.00 0.00 41.12 40.54 1mw3 n ASP 506 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1mw3 s ASP 507 N -0.92 3.11 0.02 -1.12 -1.08 0.49 -5.00 116.67 112.17 1mw3 s ASP 507 Ca 0.51 -2.25 0.01 0.00 -0.52 0.00 0.00 52.55 50.31 1mw3 s ASP 507 Cb 0.32 -0.52 0.07 0.00 -1.46 0.00 0.00 42.92 41.33 1mw3 s ASP 507 CO 0.26 -0.30 1.00 -1.54 0.52 0.00 0.00 175.17 175.11 1mw3 n SER 508 N 3.98 0.03 0.27 -0.34 3.41 -1.26 -2.12 113.62 117.59 1mw3 n SER 508 Ca 0.11 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1mw3 n SER 508 Cb 0.37 -0.48 0.79 0.00 -0.26 0.00 0.00 64.21 64.62 1mw3 n SER 508 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1mw3 h ARG 509 N 0.00 0.00 0.00 4.33 3.08 -1.91 -1.15 114.38 118.73 1mw3 h ARG 509 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mw3 h ARG 509 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1mw3 h ARG 509 CO 0.00 0.08 0.00 -1.49 -1.07 0.00 0.00 179.97 177.49 1mw3 h TRP 510 N 0.00 0.00 -0.23 3.04 4.06 -1.76 -2.00 115.95 119.07 1mw3 h TRP 510 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1mw3 h TRP 510 Cb 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1mw3 h TRP 510 CO 0.00 0.00 0.01 0.00 -3.56 0.00 0.00 178.44 174.89 1mw3 h ALA 511 N 2.15 1.60 -0.66 1.49 0.00 -1.45 -2.41 119.26 119.97 1mw3 h ALA 511 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 1mw3 h ALA 511 Cb 0.25 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 17.75 1mw3 h ALA 511 CO 0.00 0.30 0.27 -2.39 0.00 0.00 0.00 179.25 177.43 1mw3 n HIS 512 N -4.36 2.08 -2.82 0.00 1.44 -0.75 0.12 115.22 110.93 1mw3 n HIS 512 Ca 0.00 -1.59 -0.23 0.00 -2.01 0.00 0.00 57.72 53.89 1mw3 n HIS 512 Cb 0.19 -0.69 -0.02 0.00 0.12 0.00 0.00 29.99 29.59 1mw3 n HIS 512 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1mw3 n ARG 513 N -0.94 2.62 -1.55 -1.40 1.74 -0.91 -4.79 116.66 111.43 1mw3 n ARG 513 Ca 0.44 -4.30 -0.31 0.00 -0.77 0.00 0.00 57.85 52.92 1mw3 n ARG 513 Cb 1.34 -2.02 0.05 0.00 -1.02 0.00 0.00 32.46 30.81 1mw3 n ARG 513 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mw3 s PRO 514 N -3.26 2.90 0.88 5.56 0.04 -1.26 -4.95 135.00 134.90 1mw3 s PRO 514 Ca 0.44 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 1mw3 s PRO 514 Cb 0.35 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 33.02 1mw3 s PRO 514 CO -0.12 -1.13 1.16 1.03 0.04 0.00 0.00 177.00 177.99 1mw3 s ARG 515 N -5.03 1.42 0.05 4.56 0.52 -1.26 -4.79 118.95 114.41 1mw3 s ARG 515 Ca 0.58 0.17 -0.33 0.00 -0.52 0.00 0.00 55.73 55.63 1mw3 s ARG 515 Cb -0.14 -1.88 -0.12 0.00 0.52 0.00 0.00 34.95 33.33 1mw3 s ARG 515 CO 0.55 -1.98 1.78 0.98 0.02 0.00 0.00 175.30 176.65 1mw3 n TYR 516 N -3.60 2.39 -3.03 -0.53 9.36 0.07 -4.91 117.16 116.92 1mw3 n TYR 516 Ca 0.08 0.03 -0.44 0.00 3.32 0.00 0.00 57.90 60.88 1mw3 n TYR 516 Cb 0.60 -2.65 -0.04 0.00 -0.63 0.00 0.00 39.34 36.62 1mw3 n TYR 516 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1mw3 s ASN 517 N 2.75 6.19 0.20 2.98 3.04 -1.26 -4.92 114.94 123.92 1mw3 s ASN 517 Ca 0.85 -1.21 -0.11 0.00 0.04 0.00 0.00 52.86 52.43 1mw3 s ASN 517 Cb -0.62 -2.34 0.23 0.00 -1.54 0.00 0.00 41.25 36.98 1mw3 s ASN 517 CO 0.43 -1.19 1.74 -0.33 -3.04 0.00 0.00 177.10 174.71 1mw3 h GLU 518 N 9.28 0.37 -0.41 0.43 4.39 -1.99 -1.50 114.58 125.15 1mw3 h GLU 518 Ca -0.29 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1mw3 h GLU 518 Cb 1.08 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1mw3 h GLU 518 CO 1.11 0.24 0.25 0.00 -1.16 0.00 0.00 179.01 179.45 1mw3 h ALA 519 N 1.38 0.52 -0.18 3.43 0.00 -1.99 -1.47 119.26 120.96 1mw3 h ALA 519 Ca 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1mw3 h ALA 519 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mw3 h ALA 519 CO -0.28 -0.07 -0.00 -0.07 0.00 0.00 0.00 179.25 178.82 1mw3 h LEU 520 N 0.50 0.31 -1.91 0.00 3.38 -1.84 -2.90 115.31 112.86 1mw3 h LEU 520 Ca 0.16 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1mw3 h LEU 520 Cb -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1mw3 h LEU 520 CO -0.07 0.55 -0.12 1.88 0.09 0.00 0.00 178.44 180.77 1mw3 h TYR 521 N 0.07 0.00 0.00 1.13 0.05 -1.20 -0.34 116.97 116.68 1mw3 h TYR 521 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1mw3 h TYR 521 Cb 0.39 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1mw3 h TYR 521 CO 0.04 0.12 0.00 0.00 -1.05 0.00 0.00 178.16 177.27 1mw3 h ALA 522 N 1.88 1.00 -0.11 3.88 0.00 -1.07 -2.99 119.26 121.86 1mw3 h ALA 522 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mw3 h ALA 522 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mw3 h ALA 522 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1mw3 n GLN 523 N -2.69 2.36 0.25 0.00 6.02 -0.15 -4.60 117.38 118.56 1mw3 n GLN 523 Ca 0.03 -1.99 0.18 0.00 -0.01 0.00 0.00 57.00 55.21 1mw3 n GLN 523 Cb 0.35 -1.47 0.90 0.00 1.02 0.00 0.00 30.24 31.04 1mw3 n GLN 523 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1mw3 h ARG 524 N 4.61 0.00 -0.68 -1.09 0.11 -1.36 -0.41 114.38 115.55 1mw3 h ARG 524 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1mw3 h ARG 524 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1mw3 h ARG 524 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1mw3 n ASN 525 N -3.50 3.83 -4.31 0.08 3.02 -1.26 -4.26 115.26 108.85 1mw3 n ASN 525 Ca 0.00 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.15 1mw3 n ASN 525 Cb 0.29 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1mw3 n ASN 525 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mw3 s ASP 526 N -1.03 5.69 0.00 6.41 -1.08 -0.17 -4.96 116.67 121.52 1mw3 s ASP 526 Ca 0.46 -1.30 0.08 0.00 -0.52 0.00 0.00 52.55 51.27 1mw3 s ASP 526 Cb 0.24 -2.01 0.39 0.00 -1.46 0.00 0.00 42.92 40.09 1mw3 s ASP 526 CO 0.32 -0.48 1.16 -0.81 0.52 0.00 0.00 175.17 175.87 1mw3 n PRO 527 N 4.96 0.09 0.01 4.34 -0.04 -1.26 -2.25 135.00 140.84 1mw3 n PRO 527 Ca -0.11 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1mw3 n PRO 527 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 1mw3 n PRO 527 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1mw3 n SER 528 N -1.34 0.54 -4.89 3.54 7.64 -1.26 -4.55 113.62 113.30 1mw3 n SER 528 Ca 0.03 -0.23 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 1mw3 n SER 528 Cb 0.07 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1mw3 n SER 528 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mw3 s THR 529 N -3.03 4.71 0.20 0.44 -4.23 -0.95 -5.01 115.64 107.77 1mw3 s THR 529 Ca 0.10 -1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 1mw3 s THR 529 Cb 0.17 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.54 1mw3 s THR 529 CO 0.71 -0.33 1.70 0.00 -0.54 0.00 0.00 174.62 176.16 1mw3 h ALA 530 N 1.33 0.93 -0.31 3.99 0.00 -1.90 -1.94 119.26 121.37 1mw3 h ALA 530 Ca -0.50 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.15 1mw3 h ALA 530 Cb 1.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1mw3 h ALA 530 CO 0.60 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.71 1mw3 h ALA 531 N 1.08 0.38 -0.54 0.00 0.00 -1.87 -0.73 119.26 117.57 1mw3 h ALA 531 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1mw3 h ALA 531 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1mw3 h ALA 531 CO 0.01 -0.17 -0.02 0.78 0.00 0.00 0.00 179.25 179.85 1mw3 h GLY 532 N 0.38 1.05 0.96 0.00 0.00 -1.48 0.08 103.07 104.07 1mw3 h GLY 532 Ca 0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1mw3 h GLY 532 CO -0.04 0.73 0.06 1.46 0.00 0.00 0.00 176.54 178.74 1mw3 h GLN 533 N 0.85 0.13 0.12 4.80 4.20 -1.16 0.18 115.11 124.24 1mw3 h GLN 533 Ca 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1mw3 h GLN 533 Cb 0.57 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1mw3 h GLN 533 CO 0.03 0.14 -0.06 0.82 -0.67 0.00 0.00 178.83 179.09 1mw3 h ILE 534 N 0.09 0.95 0.04 2.54 2.04 -1.08 -1.75 117.51 120.34 1mw3 h ILE 534 Ca 0.03 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1mw3 h ILE 534 Cb 0.04 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1mw3 h ILE 534 CO -0.01 0.07 -0.23 0.22 0.00 0.00 0.00 178.15 178.20 1mw3 h TYR 535 N -0.29 -0.60 -0.36 1.37 3.20 -0.33 -0.09 116.97 119.85 1mw3 h TYR 535 Ca -0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1mw3 h TYR 535 Cb 0.24 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1mw3 h TYR 535 CO -0.03 -0.32 0.06 1.96 -1.64 0.00 0.00 178.16 178.20 1mw3 h GLN 536 N -0.38 0.54 -0.17 1.82 1.08 -0.65 0.10 115.11 117.46 1mw3 h GLN 536 Ca 0.05 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1mw3 h GLN 536 Cb 0.44 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1mw3 h GLN 536 CO -0.18 0.52 -0.15 -0.44 -0.95 0.00 0.00 178.83 177.63 1mw3 h ASP 537 N 0.52 0.42 -0.39 1.46 5.19 -0.90 -1.73 116.42 120.99 1mw3 h ASP 537 Ca 0.12 -0.47 -0.12 0.00 -0.62 0.00 0.00 57.03 55.94 1mw3 h ASP 537 Cb 0.24 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1mw3 h ASP 537 CO 0.00 0.80 -0.18 -0.07 -3.12 0.00 0.00 179.24 176.67 1mw3 h LEU 538 N 0.04 0.89 -1.08 1.55 4.07 -0.79 -2.13 115.31 117.87 1mw3 h LEU 538 Ca 0.03 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 1mw3 h LEU 538 Cb 0.68 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1mw3 h LEU 538 CO 0.04 1.06 0.23 -0.09 -1.08 0.00 0.00 178.44 178.59 1mw3 h ARG 539 N 0.77 0.88 -0.26 1.13 9.65 -0.78 -0.40 114.38 125.38 1mw3 h ARG 539 Ca 0.11 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1mw3 h ARG 539 Cb 0.72 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1mw3 h ARG 539 CO 0.06 0.73 -0.01 1.25 2.80 0.00 0.00 179.97 184.80 1mw3 h HIS 540 N 0.87 0.51 -0.43 2.20 2.76 -1.09 -0.76 115.15 119.20 1mw3 h HIS 540 Ca 0.20 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1mw3 h HIS 540 Cb 0.19 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1mw3 h HIS 540 CO 0.01 0.64 0.07 0.52 -1.30 0.00 0.00 177.93 177.87 1mw3 h MET 541 N 0.23 0.66 -0.34 5.26 2.86 -1.06 -0.24 114.93 122.31 1mw3 h MET 541 Ca 0.07 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1mw3 h MET 541 Cb 0.44 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1mw3 h MET 541 CO 0.02 0.63 -0.01 0.82 1.06 0.00 0.00 176.91 179.42 1mw3 h ILE 542 N 0.64 1.26 -0.42 -1.22 2.04 -0.89 -0.88 117.51 118.05 1mw3 h ILE 542 Ca 0.14 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1mw3 h ILE 542 Cb 0.29 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1mw3 h ILE 542 CO 0.00 0.33 0.21 0.00 0.00 0.00 0.00 178.15 178.69 1mw3 h ALA 543 N 0.85 0.53 -0.32 1.87 0.00 -0.63 -1.56 119.26 120.00 1mw3 h ALA 543 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mw3 h ALA 543 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mw3 h ALA 543 CO 0.02 0.08 0.15 0.28 0.00 0.00 0.00 179.25 179.78 1mw3 h VAL 544 N 0.53 1.16 -0.37 0.00 2.07 -0.98 -1.84 116.25 116.83 1mw3 h VAL 544 Ca 0.14 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1mw3 h VAL 544 Cb 0.09 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1mw3 h VAL 544 CO -0.02 0.17 0.17 -0.09 0.02 0.00 0.00 177.57 177.82 1mw3 h ARG 545 N 0.38 0.35 0.00 1.57 2.43 -0.93 -0.27 114.38 117.91 1mw3 h ARG 545 Ca 0.11 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1mw3 h ARG 545 Cb 0.13 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1mw3 h ARG 545 CO -0.01 0.23 -0.50 1.96 -1.51 0.00 0.00 179.97 180.14 1mw3 h GLN 546 N 0.36 0.00 0.00 0.20 4.20 -1.17 -3.28 115.11 115.42 1mw3 h GLN 546 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1mw3 h GLN 546 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1mw3 h GLN 546 CO -0.12 0.50 -1.54 -1.13 -0.67 0.00 0.00 178.83 175.86 1mw3 n SER 547 N -3.79 0.41 -4.53 1.46 3.41 -0.70 -4.51 113.62 105.37 1mw3 n SER 547 Ca -0.01 0.16 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 1mw3 n SER 547 Cb 0.54 1.22 -0.09 0.00 -0.26 0.00 0.00 64.21 65.62 1mw3 n SER 547 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mw3 s ASN 548 N -4.96 6.17 0.60 4.04 3.84 -0.13 -4.95 114.94 119.57 1mw3 s ASN 548 Ca -0.05 -0.32 0.31 0.00 0.21 0.00 0.00 52.86 53.01 1mw3 s ASN 548 Cb 0.12 -2.20 1.77 0.00 -0.55 0.00 0.00 41.25 40.39 1mw3 s ASN 548 CO 0.85 -0.37 2.15 -0.65 -2.79 0.00 0.00 177.10 176.29 1mw3 h PRO 549 N 8.51 0.00 0.00 0.43 0.11 -1.88 -2.60 132.00 136.56 1mw3 h PRO 549 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1mw3 h PRO 549 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1mw3 h PRO 549 CO 0.71 0.00 0.07 0.00 -0.21 0.00 0.00 178.00 178.57 1mw3 h ARG 550 N 0.00 0.00 -0.01 1.05 3.08 -1.93 -0.28 114.38 116.29 1mw3 h ARG 550 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1mw3 h ARG 550 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1mw3 h ARG 550 CO -0.00 0.00 -0.28 1.19 -1.07 0.00 0.00 179.97 179.81 1mw3 n PHE 551 N -2.77 0.00 -1.88 3.04 3.01 -0.98 -4.21 117.46 113.67 1mw3 n PHE 551 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.06 1mw3 n PHE 551 Cb 0.12 -0.05 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1mw3 n PHE 551 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1mw3 s ASP 552 N -2.37 5.37 0.00 4.37 2.15 -0.12 -4.61 116.67 121.46 1mw3 s ASP 552 Ca 0.24 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.87 1mw3 s ASP 552 Cb 0.19 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1mw3 s ASP 552 CO 0.49 -1.49 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 1mw3 n GLY 553 N 0.67 -0.84 0.01 2.66 0.00 -0.55 -4.75 105.19 102.39 1mw3 n GLY 553 Ca 0.10 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1mw3 n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw3 n GLY 554 N -0.75 2.20 3.85 -0.02 0.00 -1.26 -3.64 105.19 105.57 1mw3 n GLY 554 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1mw3 n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mw3 s ARG 555 N -0.82 3.96 0.10 1.61 1.81 -1.26 -4.65 118.95 119.70 1mw3 s ARG 555 Ca 0.00 0.47 -0.13 0.00 -1.72 0.00 0.00 55.73 54.34 1mw3 s ARG 555 Cb 0.00 -2.94 0.02 0.00 -0.45 0.00 0.00 34.95 31.59 1mw3 s ARG 555 CO 0.00 0.48 0.32 -0.48 -0.68 0.00 0.00 175.30 174.94 1mw3 s LEU 556 N -1.96 0.81 -0.07 2.53 0.05 -1.26 -4.48 118.68 114.30 1mw3 s LEU 556 Ca 0.37 -0.40 0.03 0.00 0.05 0.00 0.00 54.13 54.18 1mw3 s LEU 556 Cb -0.15 1.49 0.01 0.00 -2.05 0.00 0.00 46.19 45.50 1mw3 s LEU 556 CO 0.19 -0.77 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.39 1mw3 s VAL 557 N -3.59 1.33 0.59 1.48 1.01 -0.69 -4.88 120.40 115.65 1mw3 s VAL 557 Ca 0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1mw3 s VAL 557 Cb 0.02 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1mw3 s VAL 557 CO -0.10 0.40 1.03 0.42 0.00 0.00 0.00 175.10 176.85 1mw3 s THR 558 N 0.62 4.21 -0.12 3.92 -4.23 -1.26 0.15 115.64 118.92 1mw3 s THR 558 Ca -0.15 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1mw3 s THR 558 Cb -0.16 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1mw3 s THR 558 CO 0.05 -0.72 -0.15 0.12 -0.54 0.00 0.00 174.62 173.37 1mw3 s PHE 559 N -2.73 2.05 -0.43 3.99 5.36 0.50 -4.76 117.98 121.97 1mw3 s PHE 559 Ca 0.60 -1.01 -0.29 0.00 -0.96 0.00 0.00 56.93 55.27 1mw3 s PHE 559 Cb -0.13 -1.48 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 1mw3 s PHE 559 CO 0.41 -0.53 1.46 1.21 -1.46 0.00 0.00 175.22 176.32 1mw3 s ASN 560 N 1.09 6.24 0.24 6.13 2.47 -1.26 -3.97 114.94 125.87 1mw3 s ASN 560 Ca -0.04 0.78 0.26 0.00 0.42 0.00 0.00 52.86 54.28 1mw3 s ASN 560 Cb -0.14 -2.54 0.71 0.00 -1.45 0.00 0.00 41.25 37.82 1mw3 s ASN 560 CO -0.04 -1.52 1.72 0.71 -3.72 0.00 0.00 177.10 174.25 1mw3 h THR 561 N 6.50 0.00 -0.80 -5.21 1.35 -1.92 -3.47 112.91 109.36 1mw3 h THR 561 Ca -0.28 -0.56 -0.35 0.00 -0.55 0.00 0.00 66.41 64.68 1mw3 h THR 561 Cb 1.11 1.52 -0.14 0.00 -1.73 0.00 0.00 68.15 68.92 1mw3 h THR 561 CO 1.10 0.00 -0.31 0.59 -0.25 0.00 0.00 175.52 176.64 1mw3 n ASN 562 N -2.37 -5.15 -3.77 5.36 3.02 -1.26 -4.67 115.26 106.43 1mw3 n ASN 562 Ca 0.05 0.42 -0.27 0.00 -0.03 0.00 0.00 54.58 54.75 1mw3 n ASN 562 Cb 0.45 -4.13 -0.17 0.00 -0.61 0.00 0.00 39.78 35.32 1mw3 n ASN 562 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1mw3 s ASN 563 N -2.78 2.77 0.14 6.41 3.84 -1.26 -5.02 114.94 119.04 1mw3 s ASN 563 Ca 0.00 -0.72 0.07 0.00 0.21 0.00 0.00 52.86 52.42 1mw3 s ASN 563 Cb 0.00 -0.64 0.39 0.00 -0.55 0.00 0.00 41.25 40.45 1mw3 s ASN 563 CO 0.00 -0.27 1.12 2.29 -2.79 0.00 0.00 177.10 177.45 1mw3 n LYS 564 N 5.02 0.05 0.00 0.43 2.85 -1.26 -1.14 118.16 124.11 1mw3 n LYS 564 Ca -0.09 0.47 0.09 0.00 -1.05 0.00 0.00 58.31 57.73 1mw3 n LYS 564 Cb 0.47 -1.80 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 1mw3 n LYS 564 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1mw3 n HIS 565 N -1.70 0.00 -4.27 5.58 8.25 -1.26 -1.42 115.22 120.39 1mw3 n HIS 565 Ca -0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1mw3 n HIS 565 Cb 0.16 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.13 1mw3 n HIS 565 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mw3 s ILE 566 N -2.83 3.02 0.16 1.59 1.01 -0.29 -0.88 121.20 122.98 1mw3 s ILE 566 Ca 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1mw3 s ILE 566 Cb 0.15 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 1mw3 s ILE 566 CO 0.79 0.48 0.61 -0.51 0.00 0.00 0.00 174.94 176.31 1mw3 s ILE 567 N 1.02 4.75 -0.03 2.92 1.10 -0.31 -4.63 121.20 126.02 1mw3 s ILE 567 Ca -0.01 1.03 -0.02 0.00 -0.51 0.00 0.00 60.65 61.14 1mw3 s ILE 567 Cb -0.15 -3.80 0.01 0.00 0.15 0.00 0.00 42.46 38.68 1mw3 s ILE 567 CO -0.02 0.27 0.07 -0.83 -2.11 0.00 0.00 174.94 172.33 1mw3 s GLY 568 N -1.62 -0.02 0.08 1.50 0.00 -1.25 -1.60 107.32 104.40 1mw3 s GLY 568 Ca 0.38 0.27 -0.21 0.00 0.00 0.00 0.00 44.72 45.16 1mw3 s GLY 568 CO 0.20 0.35 0.50 -2.52 0.00 0.00 0.00 173.10 171.63 1mw3 s TYR 569 N 0.34 -0.39 -0.07 1.90 -0.85 -1.00 -0.37 117.35 116.92 1mw3 s TYR 569 Ca -0.03 0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.90 1mw3 s TYR 569 Cb -0.04 0.35 -0.00 0.00 0.38 0.00 0.00 41.96 42.65 1mw3 s TYR 569 CO -0.01 -0.68 -0.22 0.42 -1.52 0.00 0.00 175.55 173.54 1mw3 s ILE 570 N -2.91 1.84 -0.14 -3.49 1.01 0.38 -1.36 121.20 116.53 1mw3 s ILE 570 Ca -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 1mw3 s ILE 570 Cb -0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1mw3 s ILE 570 CO -0.05 0.51 -0.01 -0.13 0.00 0.00 0.00 174.94 175.26 1mw3 s ARG 571 N 0.11 3.53 -0.95 2.79 1.81 0.07 -1.71 118.95 124.60 1mw3 s ARG 571 Ca -0.09 -0.46 -0.08 0.00 -1.72 0.00 0.00 55.73 53.38 1mw3 s ARG 571 Cb -0.15 -2.92 0.07 0.00 -0.45 0.00 0.00 34.95 31.50 1mw3 s ARG 571 CO 0.05 0.37 0.28 0.09 -0.68 0.00 0.00 175.30 175.41 1mw3 n ASN 572 N 3.16 -2.55 -2.20 0.23 3.02 -1.26 -0.94 115.26 114.71 1mw3 n ASN 572 Ca -0.18 -0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.10 1mw3 n ASN 572 Cb 0.53 -2.19 -0.01 0.00 -0.61 0.00 0.00 39.78 37.49 1mw3 n ASN 572 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mw3 n ASN 573 N -2.00 -3.26 0.00 6.41 5.15 -1.26 -4.67 115.26 115.63 1mw3 n ASN 573 Ca -0.01 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1mw3 n ASN 573 Cb 0.52 -2.87 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 1mw3 n ASN 573 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mw3 n ALA 574 N -1.74 0.00 -3.99 5.20 0.00 -0.12 -4.57 120.51 115.30 1mw3 n ALA 574 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1mw3 n ALA 574 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 1mw3 n ALA 574 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1mw3 s LEU 575 N 0.00 2.07 -0.36 0.00 1.98 -0.70 -0.09 118.68 121.58 1mw3 s LEU 575 Ca 0.00 -0.77 -0.10 0.00 -2.89 0.00 0.00 54.13 50.37 1mw3 s LEU 575 Cb 0.00 -1.19 0.02 0.00 0.66 0.00 0.00 46.19 45.68 1mw3 s LEU 575 CO 0.00 -0.13 0.19 -0.22 -1.89 0.00 0.00 176.35 174.30 1mw3 s LEU 576 N 1.44 4.54 -0.14 -0.68 2.96 0.10 -0.75 118.68 126.16 1mw3 s LEU 576 Ca 0.01 -0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 52.97 1mw3 s LEU 576 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1mw3 s LEU 576 CO -0.09 -0.33 0.09 0.00 -1.32 0.00 0.00 176.35 174.70 1mw3 s ALA 577 N 1.56 3.60 -0.03 5.97 0.00 -0.46 -0.41 121.76 131.99 1mw3 s ALA 577 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1mw3 s ALA 577 Cb -0.19 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1mw3 s ALA 577 CO 0.06 0.43 -0.18 -0.06 0.00 0.00 0.00 175.76 176.01 1mw3 s PHE 578 N -0.42 1.70 -0.11 0.00 0.08 0.12 -2.36 117.98 116.99 1mw3 s PHE 578 Ca 0.10 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 1mw3 s PHE 578 Cb -0.12 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1mw3 s PHE 578 CO 0.02 -0.11 0.02 0.20 -0.10 0.00 0.00 175.22 175.25 1mw3 s GLY 579 N -0.17 0.52 -0.36 4.36 0.00 -0.63 -0.90 107.32 110.14 1mw3 s GLY 579 Ca 0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1mw3 s GLY 579 CO 0.01 1.26 0.76 0.21 0.00 0.00 0.00 173.10 175.34 1mw3 s ASN 580 N 1.96 6.54 -0.07 1.64 2.47 -0.79 -1.16 114.94 125.52 1mw3 s ASN 580 Ca 0.03 0.33 0.15 0.00 0.42 0.00 0.00 52.86 53.80 1mw3 s ASN 580 Cb -0.14 -2.39 0.56 0.00 -1.45 0.00 0.00 41.25 37.83 1mw3 s ASN 580 CO -0.06 -0.71 1.44 0.49 -3.72 0.00 0.00 177.10 174.54 1mw3 n PHE 581 N 6.36 1.08 -4.08 0.43 3.01 -0.06 -2.94 117.46 121.27 1mw3 n PHE 581 Ca 0.02 -0.45 -0.32 0.00 1.01 0.00 0.00 57.45 57.71 1mw3 n PHE 581 Cb 0.48 -0.16 -0.07 0.00 -0.01 0.00 0.00 39.48 39.73 1mw3 n PHE 581 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1mw3 s SER 582 N -0.85 5.70 0.00 4.37 0.15 -1.26 -4.43 113.70 117.38 1mw3 s SER 582 Ca 0.40 0.13 0.10 0.00 0.70 0.00 0.00 55.95 57.28 1mw3 s SER 582 Cb 0.25 -1.63 0.51 0.00 -1.71 0.00 0.00 66.02 63.44 1mw3 s SER 582 CO 0.21 0.25 1.35 -1.84 1.20 0.00 0.00 173.24 174.41 1mw3 n GLU 583 N 1.01 1.19 -4.43 5.44 0.00 -1.26 -2.14 120.64 120.46 1mw3 n GLU 583 Ca -0.12 -0.30 -0.25 0.00 0.00 0.00 0.00 57.16 56.50 1mw3 n GLU 583 Cb 0.52 -1.18 -0.11 0.00 0.00 0.00 0.00 31.44 30.67 1mw3 n GLU 583 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1mw3 s TYR 584 N -1.91 2.20 0.35 -1.84 2.02 -1.26 -4.66 117.35 112.24 1mw3 s TYR 584 Ca 0.17 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 1mw3 s TYR 584 Cb 0.08 -1.03 -0.11 0.00 -0.40 0.00 0.00 41.96 40.50 1mw3 s TYR 584 CO 0.13 0.56 1.48 -2.30 -1.57 0.00 0.00 175.55 173.84 1mw3 n PRO 585 N -0.12 2.57 -4.45 -1.71 -0.02 -1.26 -4.19 135.00 125.82 1mw3 n PRO 585 Ca -0.09 0.91 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1mw3 n PRO 585 Cb 0.58 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 1mw3 n PRO 585 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1mw3 s GLN 586 N -1.66 1.00 -0.00 -0.52 -1.52 -0.05 -4.96 119.66 111.95 1mw3 s GLN 586 Ca 0.56 -0.66 0.05 0.00 -1.95 0.00 0.00 55.36 53.37 1mw3 s GLN 586 Cb -0.50 -0.99 -0.03 0.00 -0.22 0.00 0.00 33.01 31.27 1mw3 s GLN 586 CO 0.60 0.26 -0.14 0.99 -0.25 0.00 0.00 175.29 176.74 1mw3 s THR 587 N -0.65 3.08 -0.23 -0.19 2.01 -1.26 0.53 115.64 118.93 1mw3 s THR 587 Ca 0.03 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1mw3 s THR 587 Cb -0.07 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1mw3 s THR 587 CO 0.01 0.45 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 1mw3 s VAL 588 N -0.86 3.43 0.66 3.82 1.01 0.14 -4.78 120.40 123.81 1mw3 s VAL 588 Ca 0.14 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1mw3 s VAL 588 Cb -0.11 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1mw3 s VAL 588 CO 0.04 0.39 1.13 0.42 0.00 0.00 0.00 175.10 177.08 1mw3 s THR 589 N 1.48 3.03 0.38 3.92 -4.23 -1.26 -0.29 115.64 118.67 1mw3 s THR 589 Ca 0.05 0.51 0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1mw3 s THR 589 Cb -0.15 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1mw3 s THR 589 CO -0.03 -0.27 2.01 0.00 -0.54 0.00 0.00 174.62 175.79 1mw3 h ALA 590 N 0.11 1.70 -0.79 3.99 0.00 -1.91 -1.51 119.26 120.85 1mw3 h ALA 590 Ca -0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mw3 h ALA 590 Cb 1.26 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1mw3 h ALA 590 CO 0.53 0.23 0.48 1.25 0.00 0.00 0.00 179.25 181.74 1mw3 h HIS 591 N 0.68 1.05 -0.07 0.00 -0.00 -1.91 -1.99 115.15 112.91 1mw3 h HIS 591 Ca 0.24 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.52 1mw3 h HIS 591 Cb 0.10 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1mw3 h HIS 591 CO -0.00 0.70 -0.34 1.15 -0.00 0.00 0.00 177.93 179.45 1mw3 h THR 592 N 1.09 1.26 -0.19 6.26 2.02 -1.65 -3.12 112.91 118.58 1mw3 h THR 592 Ca 0.28 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1mw3 h THR 592 Cb -0.04 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1mw3 h THR 592 CO -0.05 0.37 0.00 0.18 0.37 0.00 0.00 175.52 176.39 1mw3 n LEU 593 N -4.11 2.09 -0.36 2.58 4.77 -0.85 -4.59 117.00 116.52 1mw3 n LEU 593 Ca -0.01 -0.85 0.29 0.00 -0.03 0.00 0.00 56.01 55.40 1mw3 n LEU 593 Cb 0.40 -0.12 0.58 0.00 -2.33 0.00 0.00 43.42 41.95 1mw3 n LEU 593 CO 0.40 0.43 1.23 1.56 -1.33 0.00 0.00 177.39 179.68 1mw3 h GLN 594 N 2.83 0.25 0.00 3.23 4.20 -1.32 -0.42 115.11 123.88 1mw3 h GLN 594 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1mw3 h GLN 594 Cb 0.62 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1mw3 h GLN 594 CO 0.00 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 1mw3 n ALA 595 N -2.52 2.37 -2.48 3.87 0.00 -1.26 -4.87 120.51 115.62 1mw3 n ALA 595 Ca 0.29 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1mw3 n ALA 595 Cb 1.09 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1mw3 n ALA 595 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mw3 s MET 596 N -2.76 3.66 0.63 0.00 -1.94 -0.17 -5.05 119.30 113.66 1mw3 s MET 596 Ca 0.21 0.07 -0.18 0.00 -1.71 0.00 0.00 55.69 54.08 1mw3 s MET 596 Cb 0.19 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 1mw3 s MET 596 CO 0.47 0.20 1.10 -0.35 -0.01 0.00 0.00 175.02 176.44 1mw3 n PRO 597 N -0.88 0.96 0.28 2.03 -0.04 -1.26 -4.86 135.00 131.23 1mw3 n PRO 597 Ca -0.01 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1mw3 n PRO 597 Cb 0.54 -2.32 0.83 0.00 -0.04 0.00 0.00 33.50 32.51 1mw3 n PRO 597 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1mw3 h PHE 598 N 0.45 0.00 -3.94 0.54 -0.00 -1.95 -3.39 116.94 108.65 1mw3 h PHE 598 Ca -0.50 0.00 -0.31 0.00 -0.00 0.00 0.00 57.97 57.16 1mw3 h PHE 598 Cb 1.36 0.00 -0.25 0.00 -0.00 0.00 0.00 35.95 37.05 1mw3 h PHE 598 CO 0.38 0.01 -0.75 0.15 -0.00 0.00 0.00 178.31 178.11 1mw3 s LYS 599 N -4.71 0.49 -0.11 6.09 1.02 -1.26 -0.59 119.74 120.66 1mw3 s LYS 599 Ca -0.05 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 1mw3 s LYS 599 Cb 0.15 -0.39 0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1mw3 s LYS 599 CO 0.58 0.09 0.34 0.00 -0.92 0.00 0.00 175.35 175.44 1mw3 s ALA 600 N -0.67 -0.84 0.04 5.17 0.00 0.05 -4.93 121.76 120.58 1mw3 s ALA 600 Ca -0.03 0.87 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 1mw3 s ALA 600 Cb -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1mw3 s ALA 600 CO 0.00 -0.18 0.88 -1.58 0.00 0.00 0.00 175.76 174.89 1mw3 s HIS 601 N -0.03 3.72 -0.31 0.00 2.46 -1.26 0.97 115.29 120.84 1mw3 s HIS 601 Ca -0.02 1.62 -0.14 0.00 0.47 0.00 0.00 55.06 56.99 1mw3 s HIS 601 Cb -0.03 -2.98 -0.03 0.00 -0.13 0.00 0.00 32.58 29.41 1mw3 s HIS 601 CO 0.01 0.15 0.32 0.34 -2.47 0.00 0.00 174.74 173.09 1mw3 s ASP 602 N 0.38 6.16 0.50 9.88 2.15 0.67 -1.59 116.67 134.82 1mw3 s ASP 602 Ca 0.45 -0.03 0.29 0.00 0.43 0.00 0.00 52.55 53.68 1mw3 s ASP 602 Cb -0.21 -2.18 1.17 0.00 -0.30 0.00 0.00 42.92 41.40 1mw3 s ASP 602 CO 0.26 -0.22 1.92 -0.07 -0.17 0.00 0.00 175.17 176.89 1mw3 h LEU 603 N 8.61 0.00 0.16 -1.34 3.38 -0.83 0.30 115.31 125.59 1mw3 h LEU 603 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1mw3 h LEU 603 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1mw3 h LEU 603 CO 0.64 0.12 -0.08 0.40 0.09 0.00 0.00 178.44 179.62 1mw3 h ILE 604 N 0.00 0.00 0.00 1.22 1.08 -1.86 -3.37 117.51 114.58 1mw3 h ILE 604 Ca -0.00 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1mw3 h ILE 604 Cb 0.60 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1mw3 h ILE 604 CO 0.02 0.00 -0.34 0.61 -0.69 0.00 0.00 178.15 177.74 1mw3 n GLY 605 N 0.98 -1.53 2.05 5.37 0.00 -1.25 -4.96 105.19 105.85 1mw3 n GLY 605 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1mw3 n GLY 605 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mw3 n GLY 606 N 1.34 0.49 3.88 -0.02 0.00 0.11 -5.04 105.19 105.95 1mw3 n GLY 606 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1mw3 n GLY 606 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mw3 s LYS 607 N -0.07 2.93 -0.17 1.61 1.02 -1.22 -4.82 119.74 119.03 1mw3 s LYS 607 Ca 0.00 -1.12 -0.21 0.00 0.02 0.00 0.00 55.97 54.66 1mw3 s LYS 607 Cb 0.00 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1mw3 s LYS 607 CO 0.00 0.22 0.63 0.99 -0.92 0.00 0.00 175.35 176.27 1mw3 s THR 608 N -2.20 5.04 -0.10 2.17 2.01 -1.26 -0.24 115.64 121.06 1mw3 s THR 608 Ca 0.38 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 1mw3 s THR 608 Cb -0.07 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1mw3 s THR 608 CO 0.27 0.16 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 1mw3 s VAL 609 N 1.59 4.46 -0.08 3.82 1.01 0.27 -4.91 120.40 126.57 1mw3 s VAL 609 Ca 0.30 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1mw3 s VAL 609 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1mw3 s VAL 609 CO 0.12 0.59 0.75 -0.44 0.00 0.00 0.00 175.10 176.11 1mw3 s SER 610 N -0.71 7.02 0.00 3.32 0.01 -1.26 -0.77 113.70 121.31 1mw3 s SER 610 Ca 0.11 1.23 0.07 0.00 1.31 0.00 0.00 55.95 58.68 1mw3 s SER 610 Cb -0.12 -2.44 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1mw3 s SER 610 CO 0.02 -0.18 1.08 0.18 0.41 0.00 0.00 173.24 174.75 1mw3 n LEU 611 N 4.04 2.40 -1.89 2.44 4.77 0.24 -4.48 117.00 124.51 1mw3 n LEU 611 Ca 0.00 -1.81 -0.10 0.00 -0.03 0.00 0.00 56.01 54.08 1mw3 n LEU 611 Cb 0.51 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.74 1mw3 n LEU 611 CO 0.48 0.59 1.05 -0.46 -1.33 0.00 0.00 177.39 177.71 1mw3 n ASN 612 N 0.19 4.21 -3.51 -1.43 6.94 -1.23 -4.58 115.26 115.85 1mw3 n ASN 612 Ca 0.07 -3.38 -0.08 0.00 -0.02 0.00 0.00 54.58 51.17 1mw3 n ASN 612 Cb 0.33 -0.75 -0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1mw3 n ASN 612 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mw3 s GLN 613 N -3.10 1.95 0.35 -3.83 -2.07 -1.26 -4.97 119.66 106.72 1mw3 s GLN 613 Ca 0.54 -1.17 -0.28 0.00 -1.82 0.00 0.00 55.36 52.63 1mw3 s GLN 613 Cb 0.44 0.61 -0.12 0.00 -1.09 0.00 0.00 33.01 32.85 1mw3 s GLN 613 CO 0.11 -0.90 1.34 -0.25 -1.32 0.00 0.00 175.29 174.26 1mw3 n ASP 614 N -0.82 2.99 -4.20 12.60 8.00 -1.26 -3.96 116.55 129.91 1mw3 n ASP 614 Ca -0.06 1.21 -0.34 0.00 0.71 0.00 0.00 54.79 56.31 1mw3 n ASP 614 Cb 0.59 -1.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 1mw3 n ASP 614 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mw3 s LEU 615 N -1.23 3.13 -0.22 0.64 2.96 0.60 -4.89 118.68 119.67 1mw3 s LEU 615 Ca 0.55 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1mw3 s LEU 615 Cb -0.55 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1mw3 s LEU 615 CO 0.62 -0.12 0.05 -0.89 -1.32 0.00 0.00 176.35 174.70 1mw3 s THR 616 N 1.32 4.35 -0.14 3.68 2.01 -1.26 0.24 115.64 125.84 1mw3 s THR 616 Ca 0.00 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1mw3 s THR 616 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1mw3 s THR 616 CO -0.05 0.39 0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 1mw3 s LEU 617 N 1.17 4.34 0.82 4.42 1.43 0.19 -4.93 118.68 126.11 1mw3 s LEU 617 Ca 0.04 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1mw3 s LEU 617 Cb -0.14 -2.13 0.08 0.00 0.03 0.00 0.00 46.19 44.03 1mw3 s LEU 617 CO 0.03 0.32 1.10 -1.10 0.23 0.00 0.00 176.35 176.93 1mw3 s GLN 618 N -0.56 1.88 0.08 1.70 -1.52 -1.26 -0.87 119.66 119.09 1mw3 s GLN 618 Ca 0.14 0.68 -0.37 0.00 -1.95 0.00 0.00 55.36 53.86 1mw3 s GLN 618 Cb -0.12 -1.89 -0.18 0.00 -0.22 0.00 0.00 33.01 30.60 1mw3 s GLN 618 CO 0.03 -1.78 1.22 -2.30 -0.25 0.00 0.00 175.29 172.21 1mw3 n PRO 619 N -3.55 0.79 -1.13 2.91 -0.02 -1.26 -0.93 135.00 131.82 1mw3 n PRO 619 Ca 0.07 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 1mw3 n PRO 619 Cb 0.56 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1mw3 n PRO 619 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1mw3 n TYR 620 N 2.03 -0.24 -2.34 6.00 4.01 -0.91 -4.93 117.16 120.78 1mw3 n TYR 620 Ca 0.18 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.55 1mw3 n TYR 620 Cb 0.17 -2.20 -0.02 0.00 -0.31 0.00 0.00 39.34 36.98 1mw3 n TYR 620 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1mw3 s GLN 621 N -2.49 3.98 -0.05 -0.72 0.74 -0.10 -4.67 119.66 116.34 1mw3 s GLN 621 Ca 0.00 1.74 0.06 0.00 0.05 0.00 0.00 55.36 57.21 1mw3 s GLN 621 Cb 0.00 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 1mw3 s GLN 621 CO 0.00 -0.36 -0.23 0.54 -0.55 0.00 0.00 175.29 174.69 1mw3 s VAL 622 N -1.51 1.91 -0.05 1.34 0.11 -1.26 -1.89 120.40 119.04 1mw3 s VAL 622 Ca 0.59 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1mw3 s VAL 622 Cb -0.28 -1.62 -0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1mw3 s VAL 622 CO 0.35 0.54 -0.17 -0.04 -3.33 0.00 0.00 175.10 172.44 1mw3 s MET 623 N -0.16 1.91 -0.48 1.54 -1.94 -0.07 -4.72 119.30 115.38 1mw3 s MET 623 Ca -0.03 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 1mw3 s MET 623 Cb -0.13 -1.62 0.13 0.00 2.01 0.00 0.00 34.83 35.22 1mw3 s MET 623 CO 0.03 0.21 0.23 -1.58 -0.01 0.00 0.00 175.02 173.90 1mw3 s TRP 624 N 0.16 3.40 -0.22 -0.03 0.51 -1.26 -0.70 118.94 120.79 1mw3 s TRP 624 Ca -0.07 -3.00 -0.17 0.00 -2.12 0.00 0.00 56.10 50.74 1mw3 s TRP 624 Cb -0.13 -2.94 -0.03 0.00 -0.81 0.00 0.00 33.47 29.55 1mw3 s TRP 624 CO 0.03 -0.83 0.45 -0.51 -0.51 0.00 0.00 176.95 175.59 1mw3 s LEU 625 N 0.16 4.11 -0.68 2.99 1.43 0.45 -0.11 118.68 127.03 1mw3 s LEU 625 Ca 0.15 0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.52 1mw3 s LEU 625 Cb -0.23 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.44 1mw3 s LEU 625 CO -0.03 -0.17 1.17 -1.61 0.23 0.00 0.00 176.35 175.95 1mw3 s GLU 626 N 1.73 3.25 0.00 1.70 2.02 -0.62 0.01 118.70 126.79 1mw3 s GLU 626 Ca 0.20 -0.26 0.25 0.00 0.02 0.00 0.00 54.97 55.18 1mw3 s GLU 626 Cb -0.15 -4.15 0.47 0.00 0.10 0.00 0.00 34.13 30.40 1mw3 s GLU 626 CO 0.09 -1.94 1.40 0.44 0.02 0.00 0.00 175.26 175.27 1mw3 n ILE 627 N 6.33 0.00 -1.76 -1.63 -5.35 0.87 -4.14 119.36 113.68 1mw3 n ILE 627 Ca 0.03 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1mw3 n ILE 627 Cb 0.48 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1mw3 n ILE 627 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79