#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nw1 h MET 33 N 0.00 0.77 -0.42 1.61 4.05 -2.01 -0.09 114.93 118.84 1nw1 h MET 33 Ca 0.00 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1nw1 h MET 33 Cb 0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1nw1 h MET 33 CO 0.00 0.51 0.05 -0.22 0.23 0.00 0.00 176.91 177.48 1nw1 h LYS 34 N 0.79 0.70 -0.73 0.39 3.11 -1.98 -1.08 116.57 117.77 1nw1 h LYS 34 Ca 0.53 -0.20 -0.04 0.00 -2.81 0.00 0.00 60.65 58.13 1nw1 h LYS 34 Cb 0.72 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 1nw1 h LYS 34 CO -0.35 0.75 0.31 0.93 -2.81 0.00 0.00 179.45 178.28 1nw1 h GLU 35 N 0.55 1.07 -0.50 1.90 4.39 -1.67 -1.90 114.58 118.42 1nw1 h GLU 35 Ca 0.12 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 1nw1 h GLU 35 Cb 0.41 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1nw1 h GLU 35 CO 0.01 0.86 -0.15 1.25 -1.16 0.00 0.00 179.01 179.82 1nw1 h LEU 36 N 1.05 1.00 -0.98 1.33 5.85 -0.82 -3.10 115.31 119.63 1nw1 h LEU 36 Ca 0.25 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 1nw1 h LEU 36 Cb 0.18 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1nw1 h LEU 36 CO -0.02 1.14 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.65 1nw1 h LEU 37 N 0.84 0.02 -1.83 2.25 3.38 -0.93 -2.83 115.31 116.22 1nw1 h LEU 37 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nw1 h LEU 37 Cb 0.72 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1nw1 h LEU 37 CO 0.05 0.52 0.00 0.77 0.09 0.00 0.00 178.44 179.87 1nw1 h SER 38 N 0.02 0.00 0.60 -0.43 4.64 -1.27 -0.79 113.55 116.31 1nw1 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nw1 h SER 38 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1nw1 h SER 38 CO 0.07 0.00 -0.34 0.35 -0.87 0.00 0.00 176.83 176.04 1nw1 n THR 39 N -2.77 0.00 -3.26 2.95 -2.24 -1.07 -4.90 114.28 103.00 1nw1 n THR 39 Ca -0.01 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 1nw1 n THR 39 Cb 0.16 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1nw1 n THR 39 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1nw1 s MET 40 N -2.94 3.06 0.20 -0.78 1.00 -0.30 -5.13 119.30 114.41 1nw1 s MET 40 Ca 0.14 -0.85 0.02 0.00 0.00 0.00 0.00 55.69 55.00 1nw1 s MET 40 Cb 0.18 -2.72 -0.01 0.00 0.00 0.00 0.00 34.83 32.28 1nw1 s MET 40 CO 0.63 -0.09 0.22 -0.40 0.00 0.00 0.00 175.02 175.38 1nw1 n ASP 41 N -1.82 -0.59 0.27 3.03 5.68 -1.26 -5.02 116.55 116.84 1nw1 n ASP 41 Ca 0.01 -2.20 0.14 0.00 -0.50 0.00 0.00 54.79 52.24 1nw1 n ASP 41 Cb 0.58 1.22 0.77 0.00 -1.14 0.00 0.00 41.12 42.55 1nw1 n ASP 41 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1nw1 h LEU 42 N 0.00 0.00 -2.21 -2.12 8.10 -1.99 -2.66 115.31 114.42 1nw1 h LEU 42 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.84 1nw1 h LEU 42 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.92 1nw1 h LEU 42 CO 0.21 0.09 0.00 0.47 -4.11 0.00 0.00 178.44 175.10 1nw1 n ASP 43 N -3.64 3.27 -4.76 0.17 10.43 -1.26 -4.95 116.55 115.82 1nw1 n ASP 43 Ca -0.02 -1.97 -0.40 0.00 2.57 0.00 0.00 54.79 54.98 1nw1 n ASP 43 Cb 0.21 -0.31 -0.05 0.00 1.84 0.00 0.00 41.12 42.81 1nw1 n ASP 43 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1nw1 s THR 44 N -1.38 4.49 -0.48 -3.53 2.01 -1.01 -5.01 115.64 110.73 1nw1 s THR 44 Ca 0.40 1.76 -0.22 0.00 0.31 0.00 0.00 61.69 63.94 1nw1 s THR 44 Cb 0.22 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.59 1nw1 s THR 44 CO 0.30 0.43 0.76 -0.62 -0.69 0.00 0.00 174.62 174.81 1nw1 s ASP 45 N -0.59 6.34 0.40 3.53 -1.08 -1.26 -4.91 116.67 119.10 1nw1 s ASP 45 Ca 0.39 -0.35 0.21 0.00 -0.52 0.00 0.00 52.55 52.27 1nw1 s ASP 45 Cb -0.22 -2.37 1.17 0.00 -1.46 0.00 0.00 42.92 40.04 1nw1 s ASP 45 CO 0.26 -0.96 1.72 0.00 0.52 0.00 0.00 175.17 176.72 1nw1 h ALA 46 N 9.04 2.31 0.00 3.66 0.00 -1.96 0.18 119.26 132.50 1nw1 h ALA 46 Ca -0.26 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nw1 h ALA 46 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nw1 h ALA 46 CO 0.98 -0.80 0.00 -0.91 0.00 0.00 0.00 179.25 178.52 1nw1 h ASN 47 N 0.32 0.00 -0.12 0.00 2.35 -1.91 -1.96 115.58 114.26 1nw1 h ASN 47 Ca 0.67 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.42 1nw1 h ASN 47 Cb 1.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.15 1nw1 h ASN 47 CO -0.36 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.77 1nw1 n THR 48 N -2.36 0.13 -3.53 2.81 -2.24 0.64 -4.65 114.28 105.08 1nw1 n THR 48 Ca -0.00 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1nw1 n THR 48 Cb 0.11 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.10 1nw1 n THR 48 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nw1 s ILE 49 N -1.87 4.51 0.22 2.28 -1.09 -0.74 -4.96 121.20 119.56 1nw1 s ILE 49 Ca 0.34 -2.38 -0.07 0.00 -2.23 0.00 0.00 60.65 56.31 1nw1 s ILE 49 Cb 0.20 -3.89 0.18 0.00 -1.58 0.00 0.00 42.46 37.37 1nw1 s ILE 49 CO 0.31 -0.89 1.74 1.55 -1.23 0.00 0.00 174.94 176.42 1nw1 h PRO 50 N 7.79 0.43 -0.30 2.79 0.13 -1.84 -1.76 132.00 139.24 1nw1 h PRO 50 Ca -0.05 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1nw1 h PRO 50 Cb 1.02 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1nw1 h PRO 50 CO 0.79 0.29 0.01 1.49 -0.23 0.00 0.00 178.00 180.34 1nw1 h GLU 51 N 0.45 0.45 -0.44 0.86 4.81 -1.96 0.76 114.58 119.50 1nw1 h GLU 51 Ca 0.35 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1nw1 h GLU 51 Cb 0.47 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1nw1 h GLU 51 CO -0.34 0.47 -0.26 1.25 -0.73 0.00 0.00 179.01 179.40 1nw1 h LEU 52 N 0.43 0.99 -0.83 1.64 5.85 -1.70 -1.25 115.31 120.45 1nw1 h LEU 52 Ca 0.10 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 1nw1 h LEU 52 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1nw1 h LEU 52 CO 0.01 1.19 -0.14 0.11 -0.34 0.00 0.00 178.44 179.27 1nw1 h LYS 53 N 0.79 0.73 -0.31 1.25 1.57 -0.68 -0.58 116.57 119.34 1nw1 h LYS 53 Ca 0.09 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1nw1 h LYS 53 Cb 0.84 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1nw1 h LYS 53 CO 0.07 0.83 -0.03 0.93 -0.57 0.00 0.00 179.45 180.69 1nw1 h GLU 54 N 0.66 0.57 -0.41 3.15 5.08 -0.64 0.28 114.58 123.26 1nw1 h GLU 54 Ca 0.11 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1nw1 h GLU 54 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1nw1 h GLU 54 CO 0.04 0.72 0.11 0.00 -1.00 0.00 0.00 179.01 178.89 1nw1 h ARG 55 N 0.35 0.65 -0.64 2.33 3.08 -1.12 -0.93 114.38 118.11 1nw1 h ARG 55 Ca 0.08 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1nw1 h ARG 55 Cb 0.49 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1nw1 h ARG 55 CO 0.02 0.66 0.24 0.00 -1.07 0.00 0.00 179.97 179.82 1nw1 h ALA 56 N 0.96 0.83 -0.56 0.04 0.00 -1.00 -1.47 119.26 118.07 1nw1 h ALA 56 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nw1 h ALA 56 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1nw1 h ALA 56 CO -0.00 0.46 0.36 1.25 0.00 0.00 0.00 179.25 181.32 1nw1 h HIS 57 N 0.90 0.68 -0.12 0.00 -0.00 -0.13 -1.13 115.15 115.34 1nw1 h HIS 57 Ca 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1nw1 h HIS 57 Cb 0.23 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1nw1 h HIS 57 CO 0.01 0.42 0.06 1.98 -0.00 0.00 0.00 177.93 180.40 1nw1 h MET 58 N 0.73 0.18 -0.32 5.26 -1.53 -0.89 -0.70 114.93 117.66 1nw1 h MET 58 Ca 0.21 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.45 1nw1 h MET 58 Cb -0.06 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 30.94 1nw1 h MET 58 CO -0.06 0.25 0.21 -0.07 0.14 0.00 0.00 176.91 177.37 1nw1 h LEU 59 N 0.07 0.35 -0.61 3.39 3.38 -1.06 0.41 115.31 121.24 1nw1 h LEU 59 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1nw1 h LEU 59 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nw1 h LEU 59 CO -0.00 0.25 0.08 0.00 0.09 0.00 0.00 178.44 178.86 1nw1 h ALA 61 N 1.01 -0.35 -0.42 0.00 0.00 -0.79 0.17 119.26 118.89 1nw1 h ALA 61 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1nw1 h ALA 61 Cb 0.45 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1nw1 h ALA 61 CO 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 179.25 178.64 1nw1 h ARG 62 N -0.35 0.64 0.00 0.00 2.47 -0.81 0.39 114.38 116.71 1nw1 h ARG 62 Ca -0.03 -0.12 -0.20 0.00 -1.26 0.00 0.00 59.98 58.37 1nw1 h ARG 62 Cb 0.28 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1nw1 h ARG 62 CO 0.05 0.61 -1.93 1.19 0.56 0.00 0.00 179.97 180.44 1nw1 n PHE 63 N -4.30 0.35 -0.04 3.04 3.72 -0.62 -4.64 117.46 114.97 1nw1 n PHE 63 Ca 0.03 0.12 -0.03 0.00 -0.05 0.00 0.00 57.45 57.52 1nw1 n PHE 63 Cb 0.22 -0.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.77 1nw1 n PHE 63 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1nw1 n LEU 64 N -2.66 0.00 0.00 4.37 4.77 0.60 -4.90 117.00 119.17 1nw1 n LEU 64 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1nw1 n LEU 64 Cb 0.88 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1nw1 n LEU 64 CO 0.44 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nw1 n GLY 65 N 2.15 0.87 7.00 -0.72 0.00 0.12 -4.79 105.19 109.83 1nw1 n GLY 65 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1nw1 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nw1 n GLY 66 N 0.00 3.06 0.33 -0.02 0.00 -1.26 -2.32 105.19 104.98 1nw1 n GLY 66 Ca 0.00 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 45.85 1nw1 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nw1 h ALA 67 N -0.98 2.20 0.00 4.61 0.00 -1.91 -0.97 119.26 122.21 1nw1 h ALA 67 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nw1 h ALA 67 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nw1 h ALA 67 CO 0.00 -0.37 -0.04 -1.49 0.00 0.00 0.00 179.25 177.36 1nw1 h TRP 68 N 0.00 0.00 -0.17 0.00 4.06 -1.81 -1.44 115.95 116.60 1nw1 h TRP 68 Ca 0.14 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.91 1nw1 h TRP 68 Cb 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1nw1 h TRP 68 CO 0.00 0.04 -0.62 0.87 -3.56 0.00 0.00 178.44 175.17 1nw1 h LYS 69 N 0.00 0.58 -0.01 0.49 1.57 -1.28 -3.37 116.57 114.55 1nw1 h LYS 69 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1nw1 h LYS 69 Cb 0.14 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1nw1 h LYS 69 CO 0.00 1.01 -0.01 0.25 -0.57 0.00 0.00 179.45 180.14 1nw1 n THR 70 N -3.93 0.00 -1.70 -0.16 -2.24 -1.06 -5.02 114.28 100.18 1nw1 n THR 70 Ca -0.04 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1nw1 n THR 70 Cb 0.65 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 1nw1 n THR 70 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1nw1 n VAL 71 N 0.31 0.16 -1.88 2.28 3.14 -0.57 -4.92 118.33 116.85 1nw1 n VAL 71 Ca 0.03 -0.03 -0.38 0.00 -2.96 0.00 0.00 64.34 61.01 1nw1 n VAL 71 Cb 0.15 -1.93 0.03 0.00 -1.06 0.00 0.00 33.84 31.03 1nw1 n VAL 71 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1nw1 s PRO 72 N 1.80 3.30 0.43 1.45 0.02 -1.26 -4.85 135.00 135.89 1nw1 s PRO 72 Ca 0.79 2.15 0.19 0.00 0.02 0.00 0.00 61.00 64.15 1nw1 s PRO 72 Cb -0.54 -2.32 1.12 0.00 0.02 0.00 0.00 34.50 32.78 1nw1 s PRO 72 CO 0.36 -1.03 1.87 -0.07 -0.33 0.00 0.00 177.00 177.80 1nw1 h LEU 73 N 1.64 0.36 -1.87 -5.54 3.38 -1.93 0.20 115.31 111.55 1nw1 h LEU 73 Ca -0.51 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1nw1 h LEU 73 Cb 1.29 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1nw1 h LEU 73 CO 0.58 0.15 -0.13 -0.33 0.09 0.00 0.00 178.44 178.80 1nw1 h GLU 74 N 0.37 0.00 -0.51 1.13 5.08 -2.02 -2.01 114.58 116.62 1nw1 h GLU 74 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1nw1 h GLU 74 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1nw1 h GLU 74 CO -0.15 0.13 0.00 0.72 -1.00 0.00 0.00 179.01 178.71 1nw1 n HIS 75 N -3.76 0.67 -3.62 4.33 8.25 0.67 -4.77 115.22 117.00 1nw1 n HIS 75 Ca -0.02 -0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 56.71 1nw1 n HIS 75 Cb 0.24 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 1nw1 n HIS 75 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1nw1 s LEU 76 N -1.28 4.37 -0.13 2.41 2.96 -0.75 -1.03 118.68 125.22 1nw1 s LEU 76 Ca 0.42 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1nw1 s LEU 76 Cb 0.23 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1nw1 s LEU 76 CO 0.31 -0.27 0.10 -0.13 -1.32 0.00 0.00 176.35 175.05 1nw1 s ARG 77 N 1.61 3.50 -0.06 1.98 0.52 0.38 -4.93 118.95 121.95 1nw1 s ARG 77 Ca 0.04 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1nw1 s ARG 77 Cb -0.18 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.17 1nw1 s ARG 77 CO 0.07 0.65 -0.10 0.42 0.02 0.00 0.00 175.30 176.36 1nw1 s ILE 78 N -0.69 0.96 -0.03 1.52 1.01 -1.26 -0.02 121.20 122.69 1nw1 s ILE 78 Ca 0.13 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1nw1 s ILE 78 Cb -0.12 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1nw1 s ILE 78 CO 0.03 0.32 -0.14 -0.44 0.00 0.00 0.00 174.94 174.70 1nw1 s SER 79 N 0.74 1.76 0.17 3.58 0.01 -0.51 -3.47 113.70 115.98 1nw1 s SER 79 Ca -0.13 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 1nw1 s SER 79 Cb -0.15 -0.46 -0.08 0.00 0.21 0.00 0.00 66.02 65.54 1nw1 s SER 79 CO 0.03 0.12 1.17 -0.60 0.41 0.00 0.00 173.24 174.36 1nw1 s ARG 80 N 0.07 4.52 -0.07 12.44 6.06 -1.26 -0.34 118.95 140.37 1nw1 s ARG 80 Ca -0.03 1.81 0.03 0.00 -2.50 0.00 0.00 55.73 55.04 1nw1 s ARG 80 Cb -0.10 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.62 1nw1 s ARG 80 CO 0.01 -0.06 -0.14 0.42 -2.50 0.00 0.00 175.30 173.03 1nw1 s ILE 81 N 0.02 3.02 0.29 4.11 -1.09 -0.24 -4.88 121.20 122.42 1nw1 s ILE 81 Ca 0.52 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 1nw1 s ILE 81 Cb -0.31 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.27 1nw1 s ILE 81 CO 0.35 0.57 1.35 -0.75 -1.23 0.00 0.00 174.94 175.24 1nw1 s LYS 82 N -0.44 4.33 0.24 2.79 2.20 -1.26 -4.12 119.74 123.48 1nw1 s LYS 82 Ca 0.05 2.22 -0.05 0.00 -0.36 0.00 0.00 55.97 57.83 1nw1 s LYS 82 Cb -0.12 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1nw1 s LYS 82 CO 0.02 -0.28 0.41 0.41 -0.36 0.00 0.00 175.35 175.56 1nw1 n GLY 83 N 1.47 1.88 3.62 5.54 0.00 -1.26 -4.99 105.19 111.44 1nw1 n GLY 83 Ca 0.03 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 1nw1 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nw1 s GLY 84 N -2.35 1.58 0.00 -0.02 0.00 -1.26 -4.91 107.32 100.36 1nw1 s GLY 84 Ca 0.14 -0.12 0.20 0.00 0.00 0.00 0.00 44.72 44.93 1nw1 s GLY 84 CO 0.10 0.49 1.62 1.15 0.00 0.00 0.00 173.10 176.46 1nw1 n MET 85 N -4.40 0.19 0.12 2.90 0.00 -1.26 -2.83 117.12 111.84 1nw1 n MET 85 Ca 0.05 0.12 0.13 0.00 0.00 0.00 0.00 57.70 58.00 1nw1 n MET 85 Cb 0.55 -1.50 0.41 0.00 0.00 0.00 0.00 33.22 32.68 1nw1 n MET 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1nw1 h SER 86 N 0.00 0.00 -5.15 3.17 0.02 -1.97 -3.47 113.55 106.16 1nw1 h SER 86 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1nw1 h SER 86 Cb 0.23 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.66 1nw1 h SER 86 CO 0.00 0.00 -0.12 0.54 -1.14 0.00 0.00 176.83 176.11 1nw1 s ASN 87 N -4.61 -0.14 -0.13 3.07 6.03 -1.13 -4.07 114.94 113.97 1nw1 s ASN 87 Ca 0.09 -0.59 -0.01 0.00 -1.03 0.00 0.00 52.86 51.32 1nw1 s ASN 87 Cb 0.11 0.51 -0.02 0.00 -3.03 0.00 0.00 41.25 38.82 1nw1 s ASN 87 CO 0.57 -0.96 -0.10 -0.04 -2.03 0.00 0.00 177.10 174.54 1nw1 s MET 88 N -3.89 3.42 -0.06 3.55 -1.94 -0.56 -4.61 119.30 115.20 1nw1 s MET 88 Ca 0.11 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.49 1nw1 s MET 88 Cb 0.01 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 1nw1 s MET 88 CO -0.04 0.25 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.57 1nw1 s LEU 89 N 0.27 2.70 -0.06 -0.03 1.43 -1.26 -1.18 118.68 120.56 1nw1 s LEU 89 Ca -0.08 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1nw1 s LEU 89 Cb -0.15 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1nw1 s LEU 89 CO 0.05 0.32 -0.01 -0.36 0.23 0.00 0.00 176.35 176.58 1nw1 s PHE 90 N -0.56 0.66 -0.27 0.29 0.08 -0.24 -1.08 117.98 116.85 1nw1 s PHE 90 Ca 0.08 -0.16 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 1nw1 s PHE 90 Cb -0.11 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1nw1 s PHE 90 CO 0.01 -0.28 0.61 -1.17 -0.10 0.00 0.00 175.22 174.29 1nw1 s LEU 91 N 1.66 4.08 -0.15 -0.37 2.96 0.54 -0.55 118.68 126.87 1nw1 s LEU 91 Ca 0.00 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1nw1 s LEU 91 Cb -0.13 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 1nw1 s LEU 91 CO -0.04 -0.38 0.06 0.00 -1.32 0.00 0.00 176.35 174.67 1nw1 s ARG 93 N -0.22 0.35 0.00 0.00 1.70 0.96 -1.24 118.95 120.51 1nw1 s ARG 93 Ca 0.08 -0.46 -0.20 0.00 -0.47 0.00 0.00 55.73 54.68 1nw1 s ARG 93 Cb -0.12 0.14 -0.06 0.00 -0.57 0.00 0.00 34.95 34.34 1nw1 s ARG 93 CO 0.01 -0.07 0.56 -0.51 -1.08 0.00 0.00 175.30 174.22 1nw1 s LEU 94 N -1.29 4.43 1.15 -1.89 1.43 -0.60 -0.47 118.68 121.44 1nw1 s LEU 94 Ca -0.14 1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.95 1nw1 s LEU 94 Cb -0.08 -2.87 0.26 0.00 0.03 0.00 0.00 46.19 43.53 1nw1 s LEU 94 CO 0.00 0.15 1.05 -0.94 0.23 0.00 0.00 176.35 176.84 1nw1 s SER 95 N -0.40 1.29 0.10 2.29 1.04 -0.20 -4.87 113.70 112.96 1nw1 s SER 95 Ca 0.29 1.16 0.19 0.00 0.48 0.00 0.00 55.95 58.07 1nw1 s SER 95 Cb -0.18 -1.78 0.79 0.00 0.10 0.00 0.00 66.02 64.95 1nw1 s SER 95 CO 0.17 -3.96 1.59 -1.84 0.98 0.00 0.00 173.24 170.18 1nw1 n GLU 96 N -4.72 0.08 0.10 4.02 0.00 -1.26 -2.57 120.64 116.29 1nw1 n GLU 96 Ca 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 57.16 57.49 1nw1 n GLU 96 Cb 0.57 -1.65 -0.00 0.00 0.00 0.00 0.00 31.44 30.36 1nw1 n GLU 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1nw1 h VAL 97 N 0.00 1.43 -2.18 3.84 2.07 -1.95 -3.37 116.25 116.09 1nw1 h VAL 97 Ca 0.00 -2.80 -0.59 0.00 0.82 0.00 0.00 66.70 64.12 1nw1 h VAL 97 Cb 0.32 2.57 -0.41 0.00 -1.52 0.00 0.00 31.29 32.25 1nw1 h VAL 97 CO 0.00 0.77 -0.69 -1.22 0.02 0.00 0.00 177.57 176.44 1nw1 n TYR 98 N -3.41 2.86 -1.35 1.57 4.02 -1.06 -5.10 117.16 114.68 1nw1 n TYR 98 Ca 0.00 -4.04 -0.30 0.00 -0.01 0.00 0.00 57.90 53.55 1nw1 n TYR 98 Cb 0.81 -0.52 0.12 0.00 -0.02 0.00 0.00 39.34 39.73 1nw1 n TYR 98 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1nw1 s PRO 99 N -2.19 1.58 0.30 -0.72 0.04 -1.26 -4.57 135.00 128.19 1nw1 s PRO 99 Ca 0.39 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1nw1 s PRO 99 Cb 0.15 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.71 1nw1 s PRO 99 CO -0.04 -2.00 1.44 -2.30 0.04 0.00 0.00 177.00 174.14 1nw1 n PRO 100 N -3.70 2.33 0.00 0.56 -0.02 -1.26 -4.73 135.00 128.18 1nw1 n PRO 100 Ca 0.07 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.48 1nw1 n PRO 100 Cb 0.56 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1nw1 n PRO 100 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1nw1 n ILE 101 N 1.32 0.00 0.00 4.25 -5.35 -1.26 -4.97 119.36 113.34 1nw1 n ILE 101 Ca 0.07 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1nw1 n ILE 101 Cb 0.35 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1nw1 n ILE 101 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nw1 n ARG 102 N -0.36 0.00 -0.33 6.28 1.74 -1.26 -5.03 116.66 117.69 1nw1 n ARG 102 Ca 0.08 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1nw1 n ARG 102 Cb 0.44 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 32.15 1nw1 n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1nw1 n ASN 103 N 0.00 3.71 -4.78 0.55 3.02 -1.26 -4.98 115.26 111.52 1nw1 n ASN 103 Ca 0.00 -2.06 -0.36 0.00 -0.03 0.00 0.00 54.58 52.12 1nw1 n ASN 103 Cb 0.00 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 1nw1 n ASN 103 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1nw1 s GLU 104 N -1.12 4.20 0.79 3.52 1.03 -1.26 -5.02 118.70 120.84 1nw1 s GLU 104 Ca 0.41 1.48 -0.11 0.00 0.03 0.00 0.00 54.97 56.78 1nw1 s GLU 104 Cb 0.22 -2.55 0.07 0.00 -0.80 0.00 0.00 34.13 31.07 1nw1 s GLU 104 CO 0.26 -0.11 1.09 -1.25 -1.33 0.00 0.00 175.26 173.93 1nw1 s PRO 105 N -2.49 2.10 0.00 -4.83 0.04 -1.26 -4.75 135.00 123.81 1nw1 s PRO 105 Ca 0.57 1.03 0.27 0.00 0.04 0.00 0.00 61.00 62.91 1nw1 s PRO 105 Cb -0.21 -1.89 0.85 0.00 0.04 0.00 0.00 34.50 33.29 1nw1 s PRO 105 CO 0.27 -1.71 1.62 0.27 0.04 0.00 0.00 177.00 177.49 1nw1 n ASN 106 N -3.55 1.03 -3.51 6.66 0.23 -1.26 -4.85 115.26 110.01 1nw1 n ASN 106 Ca 0.08 -0.94 -0.17 0.00 -0.53 0.00 0.00 54.58 53.02 1nw1 n ASN 106 Cb 0.54 0.09 -0.05 0.00 -2.08 0.00 0.00 39.78 38.28 1nw1 n ASN 106 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1nw1 s LYS 107 N -2.43 1.09 -0.02 -3.83 -2.85 -1.26 -1.56 119.74 108.89 1nw1 s LYS 107 Ca 0.27 0.10 -0.19 0.00 -1.00 0.00 0.00 55.97 55.15 1nw1 s LYS 107 Cb 0.20 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.51 1nw1 s LYS 107 CO 0.49 -0.37 0.40 0.54 0.10 0.00 0.00 175.35 176.50 1nw1 s VAL 108 N -1.71 0.05 -0.24 1.79 0.11 -0.37 -4.62 120.40 115.41 1nw1 s VAL 108 Ca -0.09 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.44 1nw1 s VAL 108 Cb -0.00 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1nw1 s VAL 108 CO 0.05 -0.21 0.37 -0.22 -3.33 0.00 0.00 175.10 171.77 1nw1 s LEU 109 N -1.36 4.09 -0.24 2.54 2.96 0.12 -1.04 118.68 125.75 1nw1 s LEU 109 Ca -0.12 0.38 -0.13 0.00 -0.22 0.00 0.00 54.13 54.04 1nw1 s LEU 109 Cb -0.04 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1nw1 s LEU 109 CO 0.05 -0.13 0.26 -0.22 -1.32 0.00 0.00 176.35 174.99 1nw1 s LEU 110 N 1.70 4.09 -0.16 -0.68 2.96 0.29 -1.30 118.68 125.58 1nw1 s LEU 110 Ca 0.16 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1nw1 s LEU 110 Cb -0.15 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1nw1 s LEU 110 CO 0.09 -0.04 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.82 1nw1 s ARG 111 N 1.45 3.29 -0.12 1.98 0.52 0.14 -1.08 118.95 125.14 1nw1 s ARG 111 Ca 0.12 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 1nw1 s ARG 111 Cb -0.15 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 1nw1 s ARG 111 CO 0.08 0.03 -0.13 0.08 0.02 0.00 0.00 175.30 175.37 1nw1 s VAL 112 N 0.81 3.07 0.37 3.52 1.01 -0.32 -1.25 120.40 127.60 1nw1 s VAL 112 Ca -0.04 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1nw1 s VAL 112 Cb -0.15 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1nw1 s VAL 112 CO 0.00 0.53 0.08 -0.31 0.00 0.00 0.00 175.10 175.41 1nw1 s TYR 113 N 0.18 2.58 -0.06 5.22 1.51 0.12 -1.50 117.35 125.39 1nw1 s TYR 113 Ca -0.07 -0.51 0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1nw1 s TYR 113 Cb -0.15 -1.70 0.40 0.00 -0.11 0.00 0.00 41.96 40.41 1nw1 s TYR 113 CO 0.05 0.36 1.18 1.19 -1.11 0.00 0.00 175.55 177.22 1nw1 n PHE 114 N -1.07 0.00 -3.45 2.71 3.72 -1.26 -4.75 117.46 113.36 1nw1 n PHE 114 Ca -0.03 -0.76 -0.38 0.00 -0.05 0.00 0.00 57.45 56.23 1nw1 n PHE 114 Cb 0.64 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1nw1 n PHE 114 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1nw1 s ASN 115 N -2.31 6.72 0.11 4.37 0.01 -1.26 -4.72 114.94 117.85 1nw1 s ASN 115 Ca 0.33 0.85 -0.31 0.00 -0.71 0.00 0.00 52.86 53.03 1nw1 s ASN 115 Cb 0.36 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.68 1nw1 s ASN 115 CO -0.13 0.19 1.73 -2.16 -1.51 0.00 0.00 177.10 175.22 1nw1 s PRO 116 N -0.33 4.17 0.44 -0.60 0.04 -1.26 -4.95 135.00 132.51 1nw1 s PRO 116 Ca 0.23 2.46 -0.21 0.00 0.04 0.00 0.00 61.00 63.53 1nw1 s PRO 116 Cb -0.16 -3.54 -0.11 0.00 0.04 0.00 0.00 34.50 30.74 1nw1 s PRO 116 CO 0.11 -0.77 0.96 -1.21 0.04 0.00 0.00 177.00 176.13 1nw1 s GLU 117 N 2.49 4.18 0.09 4.56 0.41 -1.26 -5.06 118.70 124.11 1nw1 s GLU 117 Ca 0.77 1.13 0.03 0.00 -0.41 0.00 0.00 54.97 56.49 1nw1 s GLU 117 Cb -0.43 -2.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.71 1nw1 s GLU 117 CO 0.34 -0.08 -0.09 0.95 -0.49 0.00 0.00 175.26 175.89 1nw1 s THR 118 N -2.19 0.84 0.15 3.63 -4.23 -1.26 -5.03 115.64 107.55 1nw1 s THR 118 Ca 0.62 -1.68 -0.20 0.00 -1.18 0.00 0.00 61.69 59.25 1nw1 s THR 118 Cb -0.10 -1.39 0.04 0.00 1.34 0.00 0.00 72.50 72.39 1nw1 s THR 118 CO 0.15 -0.64 1.65 1.05 -0.54 0.00 0.00 174.62 176.29 1nw1 h GLU 119 N 3.46 -0.14 -0.45 3.99 9.09 -1.99 0.10 114.58 128.63 1nw1 h GLU 119 Ca -0.36 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.06 1nw1 h GLU 119 Cb 1.18 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1nw1 h GLU 119 CO 0.55 -0.09 0.28 0.66 0.05 0.00 0.00 179.01 180.46 1nw1 h SER 120 N -0.15 0.53 -0.07 3.06 4.64 -2.00 -2.22 113.55 117.36 1nw1 h SER 120 Ca 0.15 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 1nw1 h SER 120 Cb 0.37 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1nw1 h SER 120 CO -0.36 0.40 -0.44 -0.74 -0.87 0.00 0.00 176.83 174.81 1nw1 h HIS 121 N 0.62 0.57 -0.82 4.77 -0.00 -1.71 -1.56 115.15 117.03 1nw1 h HIS 121 Ca 0.17 -0.27 0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1nw1 h HIS 121 Cb -0.04 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 1nw1 h HIS 121 CO 0.00 1.04 0.49 -0.07 -0.00 0.00 0.00 177.93 179.39 1nw1 h LEU 122 N -0.05 0.75 0.23 0.26 3.38 -0.62 0.02 115.31 119.28 1nw1 h LEU 122 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1nw1 h LEU 122 Cb 1.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1nw1 h LEU 122 CO 0.09 0.47 -0.11 0.58 0.09 0.00 0.00 178.44 179.56 1nw1 h VAL 123 N 0.88 0.80 -0.41 1.22 2.07 -1.42 -2.53 116.25 116.84 1nw1 h VAL 123 Ca 0.37 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1nw1 h VAL 123 Cb 0.22 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1nw1 h VAL 123 CO -0.19 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.57 1nw1 h ALA 124 N -0.20 0.38 -0.91 1.67 0.00 -1.08 -0.72 119.26 118.39 1nw1 h ALA 124 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nw1 h ALA 124 Cb 0.51 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1nw1 h ALA 124 CO 0.05 -0.39 0.50 1.05 0.00 0.00 0.00 179.25 180.47 1nw1 h GLU 125 N 0.11 1.26 -0.41 0.00 4.11 -1.07 0.11 114.58 118.69 1nw1 h GLU 125 Ca 0.20 -0.14 -0.05 0.00 0.07 0.00 0.00 59.36 59.44 1nw1 h GLU 125 Cb 0.29 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1nw1 h GLU 125 CO -0.33 0.92 0.07 0.77 0.07 0.00 0.00 179.01 180.50 1nw1 h SER 126 N 1.27 0.65 -0.13 3.06 0.02 -0.92 -0.11 113.55 117.39 1nw1 h SER 126 Ca 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1nw1 h SER 126 Cb 0.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1nw1 h SER 126 CO -0.05 0.74 0.05 0.58 -1.14 0.00 0.00 176.83 177.01 1nw1 h VAL 127 N 0.53 1.16 0.18 2.27 2.07 -0.78 -1.62 116.25 120.06 1nw1 h VAL 127 Ca 0.12 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1nw1 h VAL 127 Cb 0.36 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1nw1 h VAL 127 CO 0.01 0.15 -0.11 0.40 0.02 0.00 0.00 177.57 178.04 1nw1 h ILE 128 N 0.05 0.78 -0.71 4.57 2.04 -0.67 -0.29 117.51 123.27 1nw1 h ILE 128 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1nw1 h ILE 128 Cb 0.18 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1nw1 h ILE 128 CO -0.00 0.00 0.34 -0.26 0.00 0.00 0.00 178.15 178.23 1nw1 h PHE 129 N -0.28 1.03 -0.59 1.37 0.04 -1.02 -0.59 116.94 116.90 1nw1 h PHE 129 Ca -0.02 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1nw1 h PHE 129 Cb 0.23 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1nw1 h PHE 129 CO -0.08 0.77 0.12 1.15 -0.60 0.00 0.00 178.31 179.67 1nw1 h THR 130 N 1.00 1.25 -0.54 -1.55 2.02 -1.17 -1.32 112.91 112.60 1nw1 h THR 130 Ca 0.25 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 1nw1 h THR 130 Cb 0.12 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1nw1 h THR 130 CO -0.03 0.35 0.12 0.25 0.37 0.00 0.00 175.52 176.58 1nw1 h LEU 131 N 0.87 0.83 -0.60 2.58 6.46 -0.75 0.47 115.31 125.17 1nw1 h LEU 131 Ca 0.18 -0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1nw1 h LEU 131 Cb 0.38 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1nw1 h LEU 131 CO 0.01 0.86 0.02 -0.07 -0.62 0.00 0.00 178.44 178.63 1nw1 h LEU 132 N 0.77 1.03 0.44 2.25 3.38 -0.96 -2.08 115.31 120.14 1nw1 h LEU 132 Ca 0.17 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nw1 h LEU 132 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1nw1 h LEU 132 CO 0.00 1.08 -0.21 -1.28 0.09 0.00 0.00 178.44 178.12 1nw1 h SER 133 N 0.96 -0.50 -0.69 -0.43 0.87 -1.05 0.57 113.55 113.28 1nw1 h SER 133 Ca 0.17 -0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1nw1 h SER 133 Cb 0.54 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1nw1 h SER 133 CO 0.03 -0.28 0.45 -0.33 -0.53 0.00 0.00 176.83 176.17 1nw1 h GLU 134 N -0.69 0.66 -0.29 2.24 4.39 -0.86 -1.48 114.58 118.55 1nw1 h GLU 134 Ca -0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1nw1 h GLU 134 Cb 0.50 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1nw1 h GLU 134 CO 0.10 0.43 0.00 0.54 -1.16 0.00 0.00 179.01 178.92 1nw1 n ARG 135 N -4.48 1.92 -3.77 2.33 1.74 -0.79 -4.93 116.66 108.68 1nw1 n ARG 135 Ca 0.10 -1.40 -0.26 0.00 -0.77 0.00 0.00 57.85 55.52 1nw1 n ARG 135 Cb 0.25 -1.38 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1nw1 n ARG 135 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nw1 n HIS 136 N 0.62 -2.30 0.50 -1.55 8.25 -0.56 -4.86 115.22 115.33 1nw1 n HIS 136 Ca 0.16 0.91 0.09 0.00 -0.26 0.00 0.00 57.72 58.62 1nw1 n HIS 136 Cb 0.37 -4.37 0.11 0.00 1.12 0.00 0.00 29.99 27.22 1nw1 n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nw1 n LEU 137 N -4.60 2.67 -3.88 2.41 4.77 0.14 -5.01 117.00 113.50 1nw1 n LEU 137 Ca -0.08 -1.22 -0.05 0.00 -0.03 0.00 0.00 56.01 54.64 1nw1 n LEU 137 Cb 0.58 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1nw1 n LEU 137 CO 0.71 0.53 0.75 -0.83 -1.33 0.00 0.00 177.39 177.21 1nw1 s GLY 138 N -1.35 0.22 0.45 -0.72 0.00 -1.19 -4.88 107.32 99.86 1nw1 s GLY 138 Ca 0.24 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.21 1nw1 s GLY 138 CO 0.22 1.94 1.41 -1.55 0.00 0.00 0.00 173.10 175.12 1nw1 n PRO 139 N -0.68 2.18 -1.74 2.90 -0.04 -1.26 -4.64 135.00 131.72 1nw1 n PRO 139 Ca -0.04 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 1nw1 n PRO 139 Cb 0.59 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 1nw1 n PRO 139 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nw1 n LYS 140 N -0.21 2.55 -3.15 0.54 4.81 -1.26 -4.54 118.16 116.90 1nw1 n LYS 140 Ca 0.06 0.90 -0.39 0.00 -0.87 0.00 0.00 58.31 58.01 1nw1 n LYS 140 Cb 0.41 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.78 1nw1 n LYS 140 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1nw1 s LEU 141 N -1.06 4.49 -0.06 3.14 2.96 -1.26 -0.93 118.68 125.97 1nw1 s LEU 141 Ca 0.59 1.34 0.07 0.00 -0.22 0.00 0.00 54.13 55.91 1nw1 s LEU 141 Cb -0.51 -3.04 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1nw1 s LEU 141 CO 0.56 0.17 0.06 -1.22 -1.32 0.00 0.00 176.35 174.60 1nw1 n TYR 142 N 2.18 0.00 0.00 5.38 4.01 0.03 -4.94 117.16 123.82 1nw1 n TYR 142 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1nw1 n TYR 142 Cb 0.50 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1nw1 n TYR 142 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nw1 n GLY 143 N 2.41 1.36 3.06 2.72 0.00 -0.96 -4.83 105.19 108.95 1nw1 n GLY 143 Ca -0.10 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 1nw1 n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nw1 s ILE 144 N -2.00 1.45 0.36 -0.61 1.01 -1.26 -0.50 121.20 119.65 1nw1 s ILE 144 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1nw1 s ILE 144 Cb 0.00 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1nw1 s ILE 144 CO 0.00 0.43 0.10 2.22 0.00 0.00 0.00 174.94 177.69 1nw1 n PHE 145 N 4.05 0.29 -2.08 3.97 -1.74 -0.59 -5.00 117.46 116.36 1nw1 n PHE 145 Ca -0.20 -2.15 -0.43 0.00 -0.56 0.00 0.00 57.45 54.11 1nw1 n PHE 145 Cb 0.51 -0.06 -0.03 0.00 1.52 0.00 0.00 39.48 41.43 1nw1 n PHE 145 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1nw1 s SER 146 N -3.13 6.15 0.00 5.98 0.15 -1.26 -2.67 113.70 118.92 1nw1 s SER 146 Ca 0.14 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1nw1 s SER 146 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1nw1 s SER 146 CO 0.10 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1nw1 n GLY 147 N 5.07 0.69 0.00 9.45 0.00 -1.26 -5.01 105.19 114.13 1nw1 n GLY 147 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nw1 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nw1 n GLY 148 N -2.58 -1.25 3.56 -0.02 0.00 -1.09 0.15 105.19 103.95 1nw1 n GLY 148 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1nw1 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nw1 s ARG 149 N -0.71 1.24 -0.13 1.61 1.70 -0.38 -1.54 118.95 120.74 1nw1 s ARG 149 Ca 0.00 -0.54 -0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1nw1 s ARG 149 Cb 0.00 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1nw1 s ARG 149 CO 0.00 -0.55 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.03 1nw1 s LEU 150 N -2.73 2.73 0.14 -1.89 1.43 0.35 -0.68 118.68 118.02 1nw1 s LEU 150 Ca 0.05 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1nw1 s LEU 150 Cb -0.02 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1nw1 s LEU 150 CO -0.07 0.17 0.22 -1.83 0.23 0.00 0.00 176.35 175.07 1nw1 s GLU 151 N 0.33 1.02 0.35 1.70 -1.05 -0.42 -0.79 118.70 119.84 1nw1 s GLU 151 Ca -0.10 -1.15 -0.28 0.00 -0.15 0.00 0.00 54.97 53.29 1nw1 s GLU 151 Cb -0.16 0.35 -0.12 0.00 -0.44 0.00 0.00 34.13 33.76 1nw1 s GLU 151 CO 0.06 -0.35 1.37 -1.91 0.95 0.00 0.00 175.26 175.38 1nw1 n GLU 152 N -0.15 2.35 -3.10 -4.83 2.13 -0.11 -0.70 120.64 116.23 1nw1 n GLU 152 Ca -0.09 0.82 -0.39 0.00 0.66 0.00 0.00 57.16 58.16 1nw1 n GLU 152 Cb 0.63 -2.47 -0.05 0.00 0.27 0.00 0.00 31.44 29.82 1nw1 n GLU 152 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1nw1 s TYR 153 N -1.07 3.63 -0.30 4.31 5.04 -1.26 -4.68 117.35 123.02 1nw1 s TYR 153 Ca 0.55 1.24 -0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1nw1 s TYR 153 Cb -0.53 -2.73 0.03 0.00 0.35 0.00 0.00 41.96 39.08 1nw1 s TYR 153 CO 0.62 0.20 0.03 0.42 -1.34 0.00 0.00 175.55 175.48 1nw1 s ILE 154 N 0.36 3.37 -0.03 3.14 1.01 -1.26 -5.03 121.20 122.75 1nw1 s ILE 154 Ca 0.35 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1nw1 s ILE 154 Cb -0.18 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1nw1 s ILE 154 CO 0.18 -0.01 1.95 -2.84 0.00 0.00 0.00 174.94 174.23 1nw1 s PRO 155 N 1.36 3.95 0.01 2.79 0.02 -1.26 -4.83 135.00 137.04 1nw1 s PRO 155 Ca -0.01 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1nw1 s PRO 155 Cb -0.18 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.18 1nw1 s PRO 155 CO -0.00 -1.16 0.24 -1.13 -0.33 0.00 0.00 177.00 174.61 1nw1 n SER 156 N 8.27 -0.27 -3.88 2.53 3.41 -1.26 -0.59 113.62 121.83 1nw1 n SER 156 Ca 0.21 -1.09 -0.11 0.00 -0.26 0.00 0.00 58.87 57.63 1nw1 n SER 156 Cb 0.42 0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 64.69 1nw1 n SER 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nw1 s ARG 157 N -2.00 0.37 0.64 4.33 1.70 -1.08 -4.93 118.95 117.97 1nw1 s ARG 157 Ca 0.06 -0.30 -0.06 0.00 -0.47 0.00 0.00 55.73 54.96 1nw1 s ARG 157 Cb -0.00 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1nw1 s ARG 157 CO 0.00 -0.08 0.94 -1.25 -1.08 0.00 0.00 175.30 173.83 1nw1 s PRO 158 N -1.05 2.57 0.49 3.89 0.04 -1.26 -1.33 135.00 138.34 1nw1 s PRO 158 Ca -0.11 -0.18 -0.14 0.00 0.04 0.00 0.00 61.00 60.60 1nw1 s PRO 158 Cb -0.06 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 1nw1 s PRO 158 CO 0.01 -0.94 0.92 -0.51 0.04 0.00 0.00 177.00 176.51 1nw1 s LEU 159 N -5.08 3.66 0.66 -3.56 1.43 -0.43 -4.88 118.68 110.48 1nw1 s LEU 159 Ca 0.57 1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1nw1 s LEU 159 Cb -0.11 -4.34 0.05 0.00 0.03 0.00 0.00 46.19 41.82 1nw1 s LEU 159 CO 0.44 -0.55 0.95 -0.94 0.23 0.00 0.00 176.35 176.49 1nw1 s SER 160 N -3.19 5.02 0.15 2.29 1.04 -1.26 -4.36 113.70 113.39 1nw1 s SER 160 Ca 0.56 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 1nw1 s SER 160 Cb -0.10 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.87 1nw1 s SER 160 CO 0.33 -1.43 1.75 0.00 0.98 0.00 0.00 173.24 174.87 1nw1 h HIS 162 N 0.55 0.96 -0.42 0.00 -0.00 -1.94 -2.93 115.15 111.38 1nw1 h HIS 162 Ca 0.15 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.56 1nw1 h HIS 162 Cb 0.07 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.14 1nw1 h HIS 162 CO -0.02 0.63 0.28 0.93 -0.00 0.00 0.00 177.93 179.75 1nw1 h GLU 163 N 1.02 0.46 0.00 5.26 5.08 -1.86 -1.96 114.58 122.58 1nw1 h GLU 163 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nw1 h GLU 163 Cb -0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1nw1 h GLU 163 CO -0.06 0.30 0.00 0.44 -1.00 0.00 0.00 179.01 178.70 1nw1 n ILE 164 N -4.48 0.92 1.02 3.13 -5.35 -1.11 -1.45 119.36 112.04 1nw1 n ILE 164 Ca 0.04 0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.88 1nw1 n ILE 164 Cb 0.14 -1.08 0.28 0.00 -1.74 0.00 0.00 39.64 37.24 1nw1 n ILE 164 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1nw1 n SER 165 N -1.86 0.51 -4.74 7.28 3.41 -0.74 -4.24 113.62 113.23 1nw1 n SER 165 Ca 0.03 -0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 57.97 1nw1 n SER 165 Cb 0.20 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1nw1 n SER 165 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nw1 s LEU 166 N -2.96 4.53 0.15 1.04 1.43 -0.53 -4.89 118.68 117.46 1nw1 s LEU 166 Ca 0.12 2.10 -0.20 0.00 -1.03 0.00 0.00 54.13 55.12 1nw1 s LEU 166 Cb 0.18 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1nw1 s LEU 166 CO 0.67 -0.13 1.66 0.00 0.23 0.00 0.00 176.35 178.78 1nw1 h ALA 167 N 4.65 0.06 -0.41 4.21 0.00 -1.90 0.54 119.26 126.40 1nw1 h ALA 167 Ca -0.45 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1nw1 h ALA 167 Cb 1.21 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1nw1 h ALA 167 CO 0.70 -0.55 0.14 1.12 0.00 0.00 0.00 179.25 180.66 1nw1 h HIS 168 N -0.12 0.59 0.12 0.00 2.07 -1.94 -0.38 115.15 115.49 1nw1 h HIS 168 Ca 0.15 -0.03 -0.24 0.00 -2.85 0.00 0.00 60.37 57.40 1nw1 h HIS 168 Cb 0.34 -0.18 0.03 0.00 2.57 0.00 0.00 27.41 30.16 1nw1 h HIS 168 CO -0.34 0.48 -1.03 0.52 -3.07 0.00 0.00 177.93 174.49 1nw1 h MET 169 N 0.58 0.48 -0.89 5.12 2.07 -1.69 -3.14 114.93 117.46 1nw1 h MET 169 Ca 0.14 -0.68 0.02 0.00 -2.07 0.00 0.00 59.70 57.11 1nw1 h MET 169 Cb 0.16 0.23 -0.05 0.00 -1.87 0.00 0.00 31.60 30.07 1nw1 h MET 169 CO -0.01 1.30 0.59 1.03 1.07 0.00 0.00 176.91 180.89 1nw1 h SER 170 N -0.01 1.01 -0.49 1.22 0.87 0.33 -1.14 113.55 115.34 1nw1 h SER 170 Ca -0.16 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 1nw1 h SER 170 Cb 1.76 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 1nw1 h SER 170 CO 0.20 0.72 0.20 0.74 -0.53 0.00 0.00 176.83 178.16 1nw1 h THR 171 N 1.19 1.21 -0.59 2.23 2.02 -1.15 -0.05 112.91 117.76 1nw1 h THR 171 Ca 0.33 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 1nw1 h THR 171 Cb -0.10 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1nw1 h THR 171 CO -0.08 0.24 0.06 0.11 0.37 0.00 0.00 175.52 176.22 1nw1 h LYS 172 N 0.65 1.00 -0.20 6.66 1.57 -1.36 -2.23 116.57 122.66 1nw1 h LYS 172 Ca 0.16 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1nw1 h LYS 172 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nw1 h LYS 172 CO -0.01 0.96 0.10 0.82 -0.57 0.00 0.00 179.45 180.75 1nw1 h ILE 173 N 0.90 1.13 -0.85 1.86 2.04 -1.02 -1.80 117.51 119.78 1nw1 h ILE 173 Ca 0.18 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.80 1nw1 h ILE 173 Cb 0.47 1.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 1nw1 h ILE 173 CO 0.02 0.12 0.45 0.00 0.00 0.00 0.00 178.15 178.74 1nw1 h ALA 174 N 0.97 1.26 -0.29 1.87 0.00 -0.84 0.02 119.26 122.25 1nw1 h ALA 174 Ca 0.07 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1nw1 h ALA 174 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nw1 h ALA 174 CO -0.01 -0.04 -0.24 0.87 0.00 0.00 0.00 179.25 179.83 1nw1 h LYS 175 N 0.67 0.56 -0.25 0.00 1.57 -0.96 -1.78 116.57 116.38 1nw1 h LYS 175 Ca 0.45 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 1nw1 h LYS 175 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nw1 h LYS 175 CO -0.33 0.75 -0.59 0.00 -0.57 0.00 0.00 179.45 178.71 1nw1 h ARG 176 N 0.49 0.80 -0.57 3.15 2.47 -0.32 -2.92 114.38 117.47 1nw1 h ARG 176 Ca 0.07 -0.53 -0.07 0.00 -1.26 0.00 0.00 59.98 58.19 1nw1 h ARG 176 Cb 0.67 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1nw1 h ARG 176 CO 0.05 1.16 0.08 0.28 0.56 0.00 0.00 179.97 182.10 1nw1 h VAL 177 N 0.60 1.25 -0.94 2.04 2.07 -0.91 -1.34 116.25 119.01 1nw1 h VAL 177 Ca 0.00 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1nw1 h VAL 177 Cb 1.19 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1nw1 h VAL 177 CO 0.13 0.35 0.61 0.00 0.02 0.00 0.00 177.57 178.68 1nw1 h ALA 178 N 1.21 1.46 -0.20 1.67 0.00 -1.23 -0.71 119.26 121.46 1nw1 h ALA 178 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1nw1 h ALA 178 Cb 0.40 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nw1 h ALA 178 CO 0.01 0.41 -0.25 0.87 0.00 0.00 0.00 179.25 180.29 1nw1 h LYS 179 N 1.10 0.53 -0.78 0.00 1.79 -1.20 -2.95 116.57 115.07 1nw1 h LYS 179 Ca 0.40 -0.30 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1nw1 h LYS 179 Cb 0.16 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1nw1 h LYS 179 CO -0.15 0.89 0.49 0.28 -1.08 0.00 0.00 179.45 179.88 1nw1 h VAL 180 N 0.20 1.12 0.00 0.50 2.07 -0.75 -1.36 116.25 118.03 1nw1 h VAL 180 Ca 0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1nw1 h VAL 180 Cb 0.81 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1nw1 h VAL 180 CO 0.06 0.18 0.00 1.41 0.02 0.00 0.00 177.57 179.23 1nw1 n HIS 181 N -4.61 0.00 1.04 1.57 8.25 -0.32 -1.90 115.22 119.25 1nw1 n HIS 181 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1nw1 n HIS 181 Cb 0.09 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 30.76 1nw1 n HIS 181 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1nw1 n GLN 182 N -1.48 0.70 -2.19 -0.41 6.02 -0.52 -4.31 117.38 115.17 1nw1 n GLN 182 Ca 0.03 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 56.07 1nw1 n GLN 182 Cb 0.15 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1nw1 n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nw1 s LEU 183 N -2.68 4.45 -0.41 1.08 1.43 -0.80 -5.00 118.68 116.75 1nw1 s LEU 183 Ca 0.16 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 1nw1 s LEU 183 Cb 0.18 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.82 1nw1 s LEU 183 CO 0.66 -0.46 0.26 -0.70 0.23 0.00 0.00 176.35 176.34 1nw1 s GLU 184 N -1.51 2.74 -0.13 1.70 2.12 -1.26 -4.52 118.70 117.84 1nw1 s GLU 184 Ca 0.49 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1nw1 s GLU 184 Cb -0.38 -3.82 -0.02 0.00 0.26 0.00 0.00 34.13 30.17 1nw1 s GLU 184 CO 0.49 -0.88 -0.11 0.08 -0.54 0.00 0.00 175.26 174.30 1nw1 s VAL 185 N 1.50 3.23 -0.97 3.70 1.01 -1.26 -5.03 120.40 122.58 1nw1 s VAL 185 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1nw1 s VAL 185 Cb -0.22 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 1nw1 s VAL 185 CO 0.04 0.52 2.11 -0.81 0.00 0.00 0.00 175.10 176.97 1nw1 n PRO 186 N 3.42 2.05 -4.27 2.72 -0.04 -1.26 -4.81 135.00 132.82 1nw1 n PRO 186 Ca -0.18 -1.80 -0.17 0.00 -0.04 0.00 0.00 63.50 61.32 1nw1 n PRO 186 Cb 0.53 -2.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 1nw1 n PRO 186 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1nw1 s ILE 187 N 3.95 0.07 -0.08 0.52 -4.36 -1.26 -5.05 121.20 114.99 1nw1 s ILE 187 Ca 0.50 -2.00 -0.39 0.00 -0.26 0.00 0.00 60.65 58.50 1nw1 s ILE 187 Cb 0.13 -2.50 -0.17 0.00 1.25 0.00 0.00 42.46 41.17 1nw1 s ILE 187 CO 0.02 0.00 1.47 1.87 0.24 0.00 0.00 174.94 178.54 1nw1 n TRP 188 N -0.49 1.62 0.39 1.37 -0.00 -1.26 -4.89 117.44 114.19 1nw1 n TRP 188 Ca 0.04 0.67 0.12 0.00 -0.00 0.00 0.00 57.50 58.33 1nw1 n TRP 188 Cb 0.64 -2.35 0.09 0.00 -0.00 0.00 0.00 31.31 29.70 1nw1 n TRP 188 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1nw1 h LYS 189 N 5.33 0.00 -6.64 5.87 1.79 -1.96 -3.38 116.57 117.58 1nw1 h LYS 189 Ca -0.47 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.49 1nw1 h LYS 189 Cb 1.34 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 1nw1 h LYS 189 CO 0.84 0.00 0.17 -1.21 -1.08 0.00 0.00 179.45 178.16 1nw1 s GLU 190 N -3.24 4.34 -0.55 3.15 0.41 -1.26 -4.79 118.70 116.76 1nw1 s GLU 190 Ca 0.03 0.98 -0.05 0.00 -0.41 0.00 0.00 54.97 55.53 1nw1 s GLU 190 Cb 0.12 -2.87 -0.12 0.00 -1.78 0.00 0.00 34.13 29.48 1nw1 s GLU 190 CO 0.76 0.37 2.44 -0.35 -0.49 0.00 0.00 175.26 177.98 1nw1 n PRO 191 N 0.70 1.90 0.02 0.39 -0.04 -1.26 -4.41 135.00 132.29 1nw1 n PRO 191 Ca -0.01 -1.15 0.11 0.00 -0.04 0.00 0.00 63.50 62.41 1nw1 n PRO 191 Cb 0.51 -2.18 0.10 0.00 -0.04 0.00 0.00 33.50 31.89 1nw1 n PRO 191 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nw1 n ASP 192 N 3.37 0.64 -0.01 3.54 8.00 -1.26 -4.52 116.55 126.30 1nw1 n ASP 192 Ca 0.40 -0.32 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1nw1 n ASP 192 Cb 0.38 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 1nw1 n ASP 192 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1nw1 h TYR 193 N 0.00 -1.41 -0.59 1.24 3.20 -1.81 -0.13 116.97 117.47 1nw1 h TYR 193 Ca 0.00 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.02 1nw1 h TYR 193 Cb 0.61 0.64 -0.11 0.00 1.54 0.00 0.00 36.73 39.40 1nw1 h TYR 193 CO 0.00 -0.51 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.54 1nw1 h LEU 194 N -0.53 -1.37 -0.40 2.82 3.38 -1.91 0.13 115.31 117.43 1nw1 h LEU 194 Ca 0.06 0.24 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1nw1 h LEU 194 Cb 0.66 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1nw1 h LEU 194 CO -0.43 -0.32 -0.74 0.00 0.09 0.00 0.00 178.44 177.04 1nw1 h GLU 196 N 0.27 0.20 -0.06 0.00 4.81 -0.35 0.15 114.58 119.60 1nw1 h GLU 196 Ca -0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1nw1 h GLU 196 Cb 1.31 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1nw1 h GLU 196 CO 0.13 0.27 0.03 0.00 -0.73 0.00 0.00 179.01 178.70 1nw1 h ALA 197 N 0.91 0.07 -0.78 2.92 0.00 -0.80 -2.40 119.26 119.19 1nw1 h ALA 197 Ca 0.05 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nw1 h ALA 197 Cb 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1nw1 h ALA 197 CO -0.00 -0.37 0.49 -0.07 0.00 0.00 0.00 179.25 179.29 1nw1 h LEU 198 N -0.03 0.80 -0.69 0.00 3.38 -1.33 0.42 115.31 117.86 1nw1 h LEU 198 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nw1 h LEU 198 Cb 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1nw1 h LEU 198 CO -0.00 0.54 0.45 -0.61 0.09 0.00 0.00 178.44 178.91 1nw1 h GLN 199 N 0.94 0.90 -0.15 1.13 4.15 -0.80 0.29 115.11 121.57 1nw1 h GLN 199 Ca 0.32 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1nw1 h GLN 199 Cb 0.06 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1nw1 h GLN 199 CO -0.13 0.60 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.21 1nw1 h ARG 200 N 0.93 0.31 -0.25 1.69 9.65 -0.93 -1.75 114.38 124.03 1nw1 h ARG 200 Ca 0.25 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1nw1 h ARG 200 Cb -0.10 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1nw1 h ARG 200 CO -0.06 0.62 0.16 -1.49 2.80 0.00 0.00 179.97 182.00 1nw1 h TRP 201 N -0.02 0.32 -0.67 2.20 6.55 -0.63 -1.35 115.95 122.36 1nw1 h TRP 201 Ca 0.03 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.92 1nw1 h TRP 201 Cb 0.52 -0.11 -0.05 0.00 -0.86 0.00 0.00 29.16 28.67 1nw1 h TRP 201 CO 0.06 0.22 0.39 1.25 -1.05 0.00 0.00 178.44 179.32 1nw1 h LEU 202 N 0.33 0.61 -0.36 -4.49 6.46 -0.42 0.98 115.31 118.41 1nw1 h LEU 202 Ca 0.09 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1nw1 h LEU 202 Cb -0.01 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 1nw1 h LEU 202 CO -0.02 0.41 0.20 0.50 -0.62 0.00 0.00 178.44 178.91 1nw1 h LYS 203 N 0.74 0.39 -0.57 1.25 1.63 -0.87 0.12 116.57 119.26 1nw1 h LYS 203 Ca 0.29 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.96 1nw1 h LYS 203 Cb 0.11 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1nw1 h LYS 203 CO -0.15 0.26 -0.03 0.37 -3.45 0.00 0.00 179.45 176.45 1nw1 h GLN 204 N 0.40 1.03 -0.55 1.90 4.15 -0.62 -2.26 115.11 119.16 1nw1 h GLN 204 Ca 0.15 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1nw1 h GLN 204 Cb 0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1nw1 h GLN 204 CO -0.09 1.03 0.35 1.25 -1.93 0.00 0.00 178.83 179.45 1nw1 h LEU 205 N 0.92 0.65 -0.94 -2.39 5.85 -0.43 -1.99 115.31 116.99 1nw1 h LEU 205 Ca 0.16 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1nw1 h LEU 205 Cb 0.59 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1nw1 h LEU 205 CO 0.04 0.49 0.58 0.74 -0.34 0.00 0.00 178.44 179.94 1nw1 h THR 206 N 0.75 0.95 0.00 1.05 2.02 -0.46 0.25 112.91 117.46 1nw1 h THR 206 Ca 0.20 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nw1 h THR 206 Cb -0.06 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.26 1nw1 h THR 206 CO -0.04 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.63 1nw1 n GLY 207 N -1.34 -1.31 0.01 2.16 0.00 -0.81 -3.48 105.19 100.43 1nw1 n GLY 207 Ca 0.16 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1nw1 n GLY 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nw1 n THR 208 N -1.41 0.02 -4.38 2.61 -1.04 0.04 -4.99 114.28 105.13 1nw1 n THR 208 Ca 0.09 -0.26 -0.26 0.00 -2.04 0.00 0.00 64.05 61.58 1nw1 n THR 208 Cb 0.27 0.46 -0.12 0.00 -1.82 0.00 0.00 70.33 69.11 1nw1 n THR 208 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1nw1 s VAL 209 N -3.27 2.14 0.27 12.58 -7.23 -0.97 -5.10 120.40 118.82 1nw1 s VAL 209 Ca -0.00 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1nw1 s VAL 209 Cb 0.15 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 35.00 1nw1 s VAL 209 CO 0.88 -0.06 1.15 -0.67 -0.31 0.00 0.00 175.10 176.09 1nw1 n ASP 210 N 0.62 1.76 -0.18 4.85 -0.08 -1.26 -4.84 116.55 117.43 1nw1 n ASP 210 Ca -0.16 1.17 0.14 0.00 -1.51 0.00 0.00 54.79 54.43 1nw1 n ASP 210 Cb 0.55 -1.33 0.47 0.00 2.34 0.00 0.00 41.12 43.16 1nw1 n ASP 210 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nw1 h ALA 211 N 2.71 2.04 -0.01 -1.67 0.00 -1.99 0.26 119.26 120.59 1nw1 h ALA 211 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1nw1 h ALA 211 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nw1 h ALA 211 CO 0.65 -0.24 -0.05 0.39 0.00 0.00 0.00 179.25 180.01 1nw1 n GLU 212 N -4.49 1.36 -2.07 0.00 4.71 -1.26 -4.92 120.64 113.97 1nw1 n GLU 212 Ca 0.14 -0.69 -0.41 0.00 -0.01 0.00 0.00 57.16 56.19 1nw1 n GLU 212 Cb 0.49 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.41 1nw1 n GLU 212 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1nw1 s HIS 213 N -2.11 3.08 0.02 -0.32 2.46 0.91 -5.03 115.29 114.29 1nw1 s HIS 213 Ca 0.37 1.11 0.04 0.00 0.47 0.00 0.00 55.06 57.05 1nw1 s HIS 213 Cb 0.21 -3.75 -0.02 0.00 -0.13 0.00 0.00 32.58 28.89 1nw1 s HIS 213 CO 0.38 -2.40 -0.13 1.03 -2.47 0.00 0.00 174.74 171.15 1nw1 s ARG 214 N -0.46 0.98 -0.28 2.88 0.52 -1.26 -4.52 118.95 116.80 1nw1 s ARG 214 Ca 0.58 -0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 1nw1 s ARG 214 Cb -0.40 -0.96 -0.05 0.00 0.52 0.00 0.00 34.95 34.06 1nw1 s ARG 214 CO 0.43 0.25 0.23 -0.06 0.02 0.00 0.00 175.30 176.17 1nw1 s PHE 215 N -0.60 3.23 0.31 -0.53 0.40 0.14 -4.90 117.98 116.03 1nw1 s PHE 215 Ca 0.03 0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 56.26 1nw1 s PHE 215 Cb -0.07 -2.42 -0.09 0.00 0.51 0.00 0.00 43.02 40.95 1nw1 s PHE 215 CO 0.00 -0.17 1.04 -0.51 0.70 0.00 0.00 175.22 176.28 1nw1 s ASP 216 N 1.73 7.19 0.11 1.36 1.01 -1.26 -1.72 116.67 125.09 1nw1 s ASP 216 Ca 0.09 2.10 0.08 0.00 0.71 0.00 0.00 52.55 55.52 1nw1 s ASP 216 Cb -0.16 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1nw1 s ASP 216 CO 0.11 -0.19 -0.20 -0.76 0.21 0.00 0.00 175.17 174.34 1nw1 s LEU 217 N -1.83 2.31 0.03 1.23 1.43 0.59 -4.90 118.68 117.55 1nw1 s LEU 217 Ca 0.48 -0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 1nw1 s LEU 217 Cb -0.26 -0.84 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 1nw1 s LEU 217 CO 0.33 0.03 1.95 -0.81 0.23 0.00 0.00 176.35 178.09 1nw1 n PRO 218 N 1.02 2.80 -0.34 1.29 -0.04 -1.26 -4.55 135.00 133.91 1nw1 n PRO 218 Ca -0.19 1.02 0.31 0.00 -0.04 0.00 0.00 63.50 64.61 1nw1 n PRO 218 Cb 0.54 -2.96 0.65 0.00 -0.04 0.00 0.00 33.50 31.69 1nw1 n PRO 218 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1nw1 h GLU 219 N 10.24 0.15 0.00 0.54 5.08 -1.87 -1.31 114.58 127.41 1nw1 h GLU 219 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1nw1 h GLU 219 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nw1 h GLU 219 CO 0.94 0.10 0.04 -0.85 -1.00 0.00 0.00 179.01 178.24 1nw1 n GLU 220 N -4.39 0.00 0.08 2.33 0.00 -1.26 -1.12 120.64 116.28 1nw1 n GLU 220 Ca 0.27 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.94 1nw1 n GLU 220 Cb 1.14 -1.54 0.10 0.00 0.00 0.00 0.00 31.44 31.14 1nw1 n GLU 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nw1 n GLY 222 N 1.27 1.25 2.85 0.00 0.00 -0.27 -3.83 105.19 106.45 1nw1 n GLY 222 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1nw1 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nw1 s VAL 223 N -2.10 0.47 -0.05 1.61 1.01 -1.26 -5.05 120.40 115.03 1nw1 s VAL 223 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.06 1nw1 s VAL 223 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 1nw1 s VAL 223 CO 0.00 0.23 1.29 0.77 0.00 0.00 0.00 175.10 177.39 1nw1 h SER 224 N 7.56 0.00 -5.10 3.32 4.64 -1.86 -3.40 113.55 118.70 1nw1 h SER 224 Ca -0.33 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.17 1nw1 h SER 224 Cb 1.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 1nw1 h SER 224 CO 0.41 0.71 0.54 -0.94 -0.87 0.00 0.00 176.83 176.68 1nw1 s SER 225 N -6.47 -0.22 0.01 4.97 1.04 -1.26 -0.30 113.70 111.47 1nw1 s SER 225 Ca 0.02 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.05 1nw1 s SER 225 Cb 0.09 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1nw1 s SER 225 CO 0.78 -0.71 0.38 0.68 0.98 0.00 0.00 173.24 175.35 1nw1 s VAL 226 N -3.10 0.06 0.49 5.02 -7.23 -0.70 -4.94 120.40 110.00 1nw1 s VAL 226 Ca 0.10 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1nw1 s VAL 226 Cb -0.01 -0.83 0.02 0.00 0.56 0.00 0.00 36.38 36.12 1nw1 s VAL 226 CO -0.02 -0.26 0.20 -0.46 -0.31 0.00 0.00 175.10 174.25 1nw1 n ASN 227 N 0.83 2.94 0.23 4.85 0.23 -1.26 0.28 115.26 123.36 1nw1 n ASN 227 Ca -0.20 -2.89 0.09 0.00 -0.53 0.00 0.00 54.58 51.05 1nw1 n ASN 227 Cb 0.58 0.13 0.58 0.00 -2.08 0.00 0.00 39.78 38.99 1nw1 n ASN 227 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nw1 h LEU 229 N 0.00 0.95 -0.09 0.00 3.38 -1.95 -0.05 115.31 117.55 1nw1 h LEU 229 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1nw1 h LEU 229 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nw1 h LEU 229 CO 0.03 1.04 0.03 0.44 0.09 0.00 0.00 178.44 180.07 1nw1 h ASP 230 N 0.84 0.13 -0.60 -0.43 3.32 -1.86 -1.60 116.42 116.23 1nw1 h ASP 230 Ca 0.15 -0.20 0.09 0.00 0.02 0.00 0.00 57.03 57.09 1nw1 h ASP 230 Cb 0.57 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1nw1 h ASP 230 CO 0.03 0.30 0.40 -0.07 -1.72 0.00 0.00 179.24 178.19 1nw1 h LEU 231 N -0.04 0.39 -0.30 1.55 3.38 -1.32 0.34 115.31 119.29 1nw1 h LEU 231 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1nw1 h LEU 231 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nw1 h LEU 231 CO -0.00 0.23 0.13 0.00 0.09 0.00 0.00 178.44 178.89 1nw1 h ALA 232 N 1.69 0.39 -0.51 1.53 0.00 -0.45 -0.33 119.26 121.58 1nw1 h ALA 232 Ca 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nw1 h ALA 232 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nw1 h ALA 232 CO -0.08 -0.02 0.17 0.00 0.00 0.00 0.00 179.25 179.32 1nw1 h ARG 233 N 0.34 0.80 -0.92 0.00 3.08 0.31 -2.54 114.38 115.45 1nw1 h ARG 233 Ca 0.10 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1nw1 h ARG 233 Cb 0.17 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1nw1 h ARG 233 CO -0.01 0.73 0.61 0.93 -1.07 0.00 0.00 179.97 181.16 1nw1 h GLU 234 N 0.70 1.21 -0.93 0.04 4.39 -0.22 -1.56 114.58 118.20 1nw1 h GLU 234 Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1nw1 h GLU 234 Cb 0.26 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1nw1 h GLU 234 CO -0.01 0.80 0.55 1.25 -1.16 0.00 0.00 179.01 180.44 1nw1 h LEU 235 N 1.24 1.13 -0.67 1.33 5.85 -0.81 0.12 115.31 123.50 1nw1 h LEU 235 Ca 0.34 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1nw1 h LEU 235 Cb -0.14 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.57 1nw1 h LEU 235 CO -0.07 0.87 0.24 -0.08 -0.34 0.00 0.00 178.44 179.06 1nw1 h GLU 236 N 1.29 1.03 0.02 1.25 4.57 -0.97 0.29 114.58 122.06 1nw1 h GLU 236 Ca 0.33 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1nw1 h GLU 236 Cb -0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1nw1 h GLU 236 CO -0.06 0.88 -0.01 0.35 -1.18 0.00 0.00 179.01 178.99 1nw1 h PHE 237 N 0.97 -0.03 -0.34 0.92 3.04 -0.48 0.06 116.94 121.08 1nw1 h PHE 237 Ca 0.22 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.20 1nw1 h PHE 237 Cb 0.26 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 1nw1 h PHE 237 CO 0.02 0.02 0.15 1.25 -2.02 0.00 0.00 178.31 177.72 1nw1 h LEU 238 N -0.07 0.19 -0.34 0.59 6.46 -0.44 -1.78 115.31 119.93 1nw1 h LEU 238 Ca -0.00 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1nw1 h LEU 238 Cb 0.06 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1nw1 h LEU 238 CO 0.01 0.15 0.13 -0.09 -0.62 0.00 0.00 178.44 178.01 1nw1 h ARG 239 N 0.31 0.27 -0.27 1.25 2.43 -0.17 -0.61 114.38 117.60 1nw1 h ARG 239 Ca 0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1nw1 h ARG 239 Cb 0.09 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1nw1 h ARG 239 CO -0.13 0.18 0.05 0.00 -1.51 0.00 0.00 179.97 178.56 1nw1 h ALA 240 N 1.21 1.60 0.10 2.80 0.00 -0.55 -3.05 119.26 121.36 1nw1 h ALA 240 Ca 0.15 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1nw1 h ALA 240 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nw1 h ALA 240 CO -0.14 0.30 -1.87 0.45 0.00 0.00 0.00 179.25 177.99 1nw1 h HIS 241 N 0.38 0.39 -0.13 0.00 3.86 -0.95 -3.37 115.15 115.32 1nw1 h HIS 241 Ca 0.09 -0.28 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 1nw1 h HIS 241 Cb 0.17 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1nw1 h HIS 241 CO 0.00 1.56 -0.20 -0.84 0.86 0.00 0.00 177.93 179.31 1nw1 h ILE 242 N 0.06 1.21 0.00 2.45 3.07 -1.16 -1.34 117.51 121.80 1nw1 h ILE 242 Ca -0.37 -0.96 0.00 0.00 1.55 0.00 0.00 64.86 65.08 1nw1 h ILE 242 Cb 2.03 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.93 1nw1 h ILE 242 CO 0.10 0.29 0.00 -1.54 -1.05 0.00 0.00 178.15 175.95 1nw1 n SER 243 N -4.21 0.21 0.01 2.16 3.41 -1.15 -0.96 113.62 113.09 1nw1 n SER 243 Ca -0.01 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1nw1 n SER 243 Cb 0.32 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 63.84 1nw1 n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nw1 n LEU 244 N -1.76 0.57 -4.77 1.04 4.77 -0.50 -4.93 117.00 111.42 1nw1 n LEU 244 Ca 0.01 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 1nw1 n LEU 244 Cb 0.09 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1nw1 n LEU 244 CO 0.09 0.09 0.95 -0.55 -1.33 0.00 0.00 177.39 176.65 1nw1 s SER 245 N -3.31 6.25 -0.04 -1.43 0.15 -0.13 -4.92 113.70 110.27 1nw1 s SER 245 Ca 0.09 2.64 0.21 0.00 0.70 0.00 0.00 55.95 59.59 1nw1 s SER 245 Cb 0.16 -2.64 0.67 0.00 -1.71 0.00 0.00 66.02 62.51 1nw1 s SER 245 CO 0.73 -0.89 1.57 0.29 1.20 0.00 0.00 173.24 176.13 1nw1 n LYS 246 N 0.03 3.08 -1.81 5.44 4.01 -1.26 -4.95 118.16 122.71 1nw1 n LYS 246 Ca 0.04 -2.74 -0.42 0.00 -0.51 0.00 0.00 58.31 54.68 1nw1 n LYS 246 Cb 0.44 -1.68 -0.03 0.00 -0.51 0.00 0.00 35.03 33.25 1nw1 n LYS 246 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1nw1 s SER 247 N -0.97 6.53 0.28 4.39 0.15 -1.26 -4.90 113.70 117.91 1nw1 s SER 247 Ca 0.50 2.53 -0.29 0.00 0.70 0.00 0.00 55.95 59.38 1nw1 s SER 247 Cb 0.28 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.91 1nw1 s SER 247 CO 0.30 -0.99 1.17 -2.65 1.20 0.00 0.00 173.24 172.27 1nw1 n PRO 248 N 7.04 1.63 -3.12 5.44 -0.02 -1.26 -4.58 135.00 140.12 1nw1 n PRO 248 Ca 0.18 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 1nw1 n PRO 248 Cb 0.41 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1nw1 n PRO 248 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nw1 s VAL 249 N -0.76 5.04 0.23 -1.45 1.01 -1.26 -1.36 120.40 121.85 1nw1 s VAL 249 Ca 0.62 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 1nw1 s VAL 249 Cb -0.68 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1nw1 s VAL 249 CO 0.57 0.29 0.25 0.42 0.00 0.00 0.00 175.10 176.64 1nw1 s THR 250 N 0.58 0.00 0.14 3.92 -4.23 -0.09 -4.89 115.64 111.07 1nw1 s THR 250 Ca 0.34 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 1nw1 s THR 250 Cb -0.17 -2.42 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 1nw1 s THR 250 CO 0.17 0.00 1.39 0.12 -0.54 0.00 0.00 174.62 175.75 1nw1 s PHE 251 N -4.04 3.23 0.14 3.99 5.36 -1.26 -0.52 117.98 124.88 1nw1 s PHE 251 Ca 0.34 0.98 0.08 0.00 -0.96 0.00 0.00 56.93 57.37 1nw1 s PHE 251 Cb 0.04 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.00 1nw1 s PHE 251 CO 0.12 -2.36 -0.18 0.00 -1.46 0.00 0.00 175.22 171.35 1nw1 h HIS 253 N 3.49 0.46 0.00 0.00 2.76 -1.91 -1.42 115.15 118.53 1nw1 h HIS 253 Ca -0.42 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 57.47 1nw1 h HIS 253 Cb 1.20 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1nw1 h HIS 253 CO 0.66 1.14 0.00 0.09 -1.30 0.00 0.00 177.93 178.52 1nw1 n ASN 254 N -4.29 -1.42 -2.73 3.26 3.02 -1.26 -2.53 115.26 109.31 1nw1 n ASN 254 Ca -0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.35 1nw1 n ASN 254 Cb 0.67 -0.92 0.08 0.00 -0.61 0.00 0.00 39.78 39.00 1nw1 n ASN 254 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nw1 n ASP 255 N -0.10 -0.98 -2.55 6.41 2.03 -1.26 -4.98 116.55 115.12 1nw1 n ASP 255 Ca 0.00 -2.75 -0.18 0.00 0.52 0.00 0.00 54.79 52.37 1nw1 n ASP 255 Cb 0.05 0.67 -0.09 0.00 -0.72 0.00 0.00 41.12 41.03 1nw1 n ASP 255 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nw1 n LEU 256 N -0.26 5.40 -4.91 -2.67 4.77 -1.26 -4.78 117.00 113.29 1nw1 n LEU 256 Ca 0.03 -3.10 -0.27 0.00 -0.03 0.00 0.00 56.01 52.64 1nw1 n LEU 256 Cb 0.81 -1.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1nw1 n LEU 256 CO 0.04 1.36 0.36 0.00 -1.33 0.00 0.00 177.39 177.82 1nw1 s GLN 257 N 1.89 3.57 0.40 3.23 -2.07 -1.26 -4.62 119.66 120.81 1nw1 s GLN 257 Ca 0.55 0.11 0.20 0.00 -1.82 0.00 0.00 55.36 54.40 1nw1 s GLN 257 Cb 0.22 -2.46 1.14 0.00 -1.09 0.00 0.00 33.01 30.81 1nw1 s GLN 257 CO -0.02 -0.06 1.76 1.05 -1.32 0.00 0.00 175.29 176.70 1nw1 h GLU 258 N 0.64 0.35 -0.03 9.60 9.09 -1.89 -0.40 114.58 131.93 1nw1 h GLU 258 Ca -0.48 -0.02 0.01 0.00 0.05 0.00 0.00 59.36 58.92 1nw1 h GLU 258 Cb 1.20 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1nw1 h GLU 258 CO 0.62 0.23 0.07 0.78 0.05 0.00 0.00 179.01 180.77 1nw1 h GLY 259 N 0.36 0.00 -2.47 1.06 0.00 -1.94 -0.96 103.07 99.12 1nw1 h GLY 259 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1nw1 h GLY 259 CO -0.30 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.94 1nw1 n ASN 260 N -3.42 4.36 -4.06 0.19 3.02 -0.16 -4.81 115.26 110.38 1nw1 n ASN 260 Ca -0.02 -2.55 -0.32 0.00 -0.03 0.00 0.00 54.58 51.66 1nw1 n ASN 260 Cb 0.15 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 1nw1 n ASN 260 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nw1 s ILE 261 N -2.02 2.33 0.17 2.41 1.01 -0.37 -1.55 121.20 123.18 1nw1 s ILE 261 Ca 0.45 -1.94 0.07 0.00 0.00 0.00 0.00 60.65 59.23 1nw1 s ILE 261 Cb 0.31 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1nw1 s ILE 261 CO 0.19 -0.30 0.01 -0.76 0.00 0.00 0.00 174.94 174.07 1nw1 s LEU 262 N 1.03 3.36 -0.36 2.97 1.43 -0.10 -1.32 118.68 125.69 1nw1 s LEU 262 Ca 0.00 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1nw1 s LEU 262 Cb -0.20 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1nw1 s LEU 262 CO -0.06 0.09 0.12 -0.76 0.23 0.00 0.00 176.35 175.97 1nw1 s LEU 263 N -2.94 4.76 0.47 1.79 1.02 -0.44 -0.81 118.68 122.53 1nw1 s LEU 263 Ca 0.28 -1.80 -0.24 0.00 0.02 0.00 0.00 54.13 52.39 1nw1 s LEU 263 Cb -0.09 -1.77 -0.07 0.00 0.02 0.00 0.00 46.19 44.28 1nw1 s LEU 263 CO 0.19 -0.43 1.30 -2.84 0.02 0.00 0.00 176.35 174.59 1nw1 s PRO 264 N 1.15 3.62 -0.83 1.29 0.02 -1.26 -2.63 135.00 136.36 1nw1 s PRO 264 Ca 0.04 2.12 -0.06 0.00 0.02 0.00 0.00 61.00 63.13 1nw1 s PRO 264 Cb -0.21 -2.50 -0.07 0.00 0.02 0.00 0.00 34.50 31.74 1nw1 s PRO 264 CO -0.04 -0.77 2.19 1.63 -0.33 0.00 0.00 177.00 179.68 1nw1 n LYS 265 N -0.43 2.05 -1.53 5.54 5.02 0.24 -4.93 118.16 124.13 1nw1 n LYS 265 Ca 0.07 -1.38 -0.01 0.00 -2.02 0.00 0.00 58.31 54.97 1nw1 n LYS 265 Cb 0.45 -2.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.07 1nw1 n LYS 265 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1nw1 n ARG 296 N 3.97 -1.04 -3.76 1.97 1.85 -1.26 -5.00 116.66 113.37 1nw1 n ARG 296 Ca 0.44 1.16 -0.30 0.00 -1.00 0.00 0.00 57.85 58.15 1nw1 n ARG 296 Cb 0.19 -1.66 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 1nw1 n ARG 296 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1nw1 s LEU 297 N -0.13 4.29 0.04 2.89 1.43 -1.26 -4.59 118.68 121.33 1nw1 s LEU 297 Ca -0.03 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1nw1 s LEU 297 Cb 0.00 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1nw1 s LEU 297 CO 0.09 0.06 -0.12 0.68 0.23 0.00 0.00 176.35 177.29 1nw1 s VAL 298 N -1.68 0.90 -0.21 -1.59 -7.23 0.01 -4.98 120.40 105.62 1nw1 s VAL 298 Ca 0.38 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.54 1nw1 s VAL 298 Cb -0.12 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 1nw1 s VAL 298 CO 0.27 -0.08 0.04 -0.76 -0.31 0.00 0.00 175.10 174.26 1nw1 s LEU 299 N -1.16 3.48 0.00 1.32 1.43 -1.26 -0.92 118.68 121.57 1nw1 s LEU 299 Ca -0.01 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1nw1 s LEU 299 Cb -0.08 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1nw1 s LEU 299 CO 0.01 0.06 0.05 2.30 0.23 0.00 0.00 176.35 179.00 1nw1 n ILE 300 N 4.29 0.00 -3.15 -0.59 -5.35 -0.60 -4.92 119.36 109.04 1nw1 n ILE 300 Ca -0.17 -1.56 -0.17 0.00 -0.27 0.00 0.00 62.75 60.59 1nw1 n ILE 300 Cb 0.52 0.45 0.02 0.00 -1.74 0.00 0.00 39.64 38.88 1nw1 n ILE 300 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1nw1 n ASP 301 N -1.48 -6.98 -1.62 7.28 -0.08 -1.26 -4.81 116.55 107.59 1nw1 n ASP 301 Ca -0.08 0.10 -0.10 0.00 -1.51 0.00 0.00 54.79 53.20 1nw1 n ASP 301 Cb 0.41 -4.04 0.04 0.00 2.34 0.00 0.00 41.12 39.87 1nw1 n ASP 301 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1nw1 n PHE 302 N -0.75 1.04 -0.29 -0.67 3.01 -1.26 -4.57 117.46 113.98 1nw1 n PHE 302 Ca 0.00 -1.37 0.21 0.00 1.01 0.00 0.00 57.45 57.31 1nw1 n PHE 302 Cb 0.55 -0.68 0.51 0.00 -0.01 0.00 0.00 39.48 39.86 1nw1 n PHE 302 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1nw1 h GLU 303 N 0.91 0.38 -0.37 -1.08 4.57 -1.90 -1.37 114.58 115.73 1nw1 h GLU 303 Ca 0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1nw1 h GLU 303 Cb 1.22 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1nw1 h GLU 303 CO 0.46 0.25 0.00 0.66 -1.18 0.00 0.00 179.01 179.20 1nw1 n TYR 304 N -4.55 0.49 -1.98 0.92 4.01 -1.26 -4.99 117.16 109.80 1nw1 n TYR 304 Ca 0.22 -0.44 -0.38 0.00 -0.16 0.00 0.00 57.90 57.14 1nw1 n TYR 304 Cb 0.80 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.82 1nw1 n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nw1 s ALA 305 N -1.01 2.93 -0.03 -0.72 0.00 -0.52 -4.63 121.76 117.78 1nw1 s ALA 305 Ca 0.26 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1nw1 s ALA 305 Cb 0.14 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.89 1nw1 s ALA 305 CO 0.19 -1.06 1.32 -1.54 0.00 0.00 0.00 175.76 174.66 1nw1 s SER 306 N -1.06 -0.04 0.41 0.00 1.04 -0.54 -4.92 113.70 108.59 1nw1 s SER 306 Ca 0.67 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.74 1nw1 s SER 306 Cb -0.36 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 1nw1 s SER 306 CO 0.44 -0.24 1.12 -0.31 0.98 0.00 0.00 173.24 175.22 1nw1 s TYR 307 N -2.32 3.12 0.01 5.02 2.02 -1.26 0.10 117.35 124.05 1nw1 s TYR 307 Ca 0.15 1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 58.15 1nw1 s TYR 307 Cb 0.05 -3.28 0.10 0.00 -0.40 0.00 0.00 41.96 38.43 1nw1 s TYR 307 CO -0.04 -1.06 1.10 1.21 -1.57 0.00 0.00 175.55 175.19 1nw1 s ASN 308 N -1.34 -0.16 0.25 2.29 2.47 0.32 -4.45 114.94 114.32 1nw1 s ASN 308 Ca 0.58 -0.18 -0.31 0.00 0.42 0.00 0.00 52.86 53.37 1nw1 s ASN 308 Cb -0.27 0.30 -0.12 0.00 -1.45 0.00 0.00 41.25 39.72 1nw1 s ASN 308 CO 0.34 -0.54 1.68 -0.31 -3.72 0.00 0.00 177.10 174.54 1nw1 s TYR 309 N -2.82 2.83 0.53 0.43 2.02 -1.26 -0.91 117.35 118.17 1nw1 s TYR 309 Ca 0.11 0.51 0.24 0.00 -0.37 0.00 0.00 57.07 57.56 1nw1 s TYR 309 Cb 0.01 -4.13 1.55 0.00 -0.40 0.00 0.00 41.96 38.99 1nw1 s TYR 309 CO -0.03 -4.08 2.18 0.07 -1.57 0.00 0.00 175.55 172.12 1nw1 h ARG 310 N 5.99 0.00 -0.03 -0.62 0.11 -1.47 -1.50 114.38 116.87 1nw1 h ARG 310 Ca -0.45 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.61 1nw1 h ARG 310 Cb 1.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 1nw1 h ARG 310 CO 0.89 0.04 -0.10 0.00 0.10 0.00 0.00 179.97 180.90 1nw1 h ALA 311 N 1.96 1.79 -0.37 0.08 0.00 -1.88 -2.28 119.26 118.57 1nw1 h ALA 311 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1nw1 h ALA 311 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nw1 h ALA 311 CO 0.00 0.16 0.09 0.35 0.00 0.00 0.00 179.25 179.85 1nw1 h PHE 312 N 0.04 0.62 -0.44 0.00 3.57 -1.62 -0.07 116.94 119.03 1nw1 h PHE 312 Ca 0.01 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1nw1 h PHE 312 Cb 0.20 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1nw1 h PHE 312 CO 0.00 0.62 0.21 -0.44 -2.23 0.00 0.00 178.31 176.46 1nw1 h ASP 313 N 0.45 0.29 0.46 0.41 3.32 -1.52 0.72 116.42 120.54 1nw1 h ASP 313 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1nw1 h ASP 313 Cb 0.31 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1nw1 h ASP 313 CO 0.00 0.20 -0.22 -0.26 -1.72 0.00 0.00 179.24 177.25 1nw1 h PHE 314 N 0.42 -0.57 -0.43 4.55 0.04 -1.31 -1.37 116.94 118.27 1nw1 h PHE 314 Ca 0.20 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.00 1nw1 h PHE 314 Cb 0.12 0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1nw1 h PHE 314 CO -0.11 -0.30 0.18 0.00 -0.60 0.00 0.00 178.31 177.48 1nw1 h ALA 315 N -0.24 0.52 -0.87 2.45 0.00 -0.86 0.37 119.26 120.63 1nw1 h ALA 315 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nw1 h ALA 315 Cb 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1nw1 h ALA 315 CO 0.10 -0.20 0.44 -0.97 0.00 0.00 0.00 179.25 178.63 1nw1 h ASN 316 N 0.37 1.12 -0.33 0.00 -1.24 -0.84 -1.14 115.58 113.52 1nw1 h ASN 316 Ca 0.19 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 1nw1 h ASN 316 Cb 0.15 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 1nw1 h ASN 316 CO -0.17 0.93 -0.01 -0.74 -1.29 0.00 0.00 177.43 176.15 1nw1 h HIS 317 N 1.24 0.64 -0.49 0.67 2.76 -0.56 -2.33 115.15 117.08 1nw1 h HIS 317 Ca 0.30 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1nw1 h HIS 317 Cb 0.09 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1nw1 h HIS 317 CO 0.01 0.71 0.18 0.74 -1.30 0.00 0.00 177.93 178.28 1nw1 h PHE 318 N 0.39 0.71 -0.19 5.26 0.04 -0.67 -1.58 116.94 120.91 1nw1 h PHE 318 Ca 0.09 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1nw1 h PHE 318 Cb 0.46 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1nw1 h PHE 318 CO 0.04 0.57 -0.18 0.82 -0.60 0.00 0.00 178.31 178.96 1nw1 h ILE 319 N 0.71 1.22 0.00 -0.55 2.04 -1.04 -2.49 117.51 117.40 1nw1 h ILE 319 Ca 0.17 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1nw1 h ILE 319 Cb 0.16 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1nw1 h ILE 319 CO -0.01 0.31 -0.01 -0.33 0.00 0.00 0.00 178.15 178.11 1nw1 h GLU 320 N 0.30 0.00 0.00 2.37 4.39 -0.72 -0.37 114.58 120.55 1nw1 h GLU 320 Ca 0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1nw1 h GLU 320 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1nw1 h GLU 320 CO 0.03 0.01 -0.10 -1.49 -1.16 0.00 0.00 179.01 176.30 1nw1 h TRP 321 N 0.00 0.00 0.00 4.33 4.06 -1.44 -2.64 115.95 120.27 1nw1 h TRP 321 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1nw1 h TRP 321 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1nw1 h TRP 321 CO 0.00 0.10 -0.71 0.25 -3.56 0.00 0.00 178.44 174.51 1nw1 n THR 322 N -4.21 0.09 -3.86 1.49 -2.24 -0.15 -4.77 114.28 100.63 1nw1 n THR 322 Ca -0.03 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1nw1 n THR 322 Cb 0.18 0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 1nw1 n THR 322 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nw1 s ILE 323 N -3.07 3.70 -0.19 2.28 1.01 -1.00 -0.80 121.20 123.13 1nw1 s ILE 323 Ca 0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1nw1 s ILE 323 Cb 0.16 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1nw1 s ILE 323 CO 0.75 0.39 -0.03 -0.62 0.00 0.00 0.00 174.94 175.43 1nw1 s ASP 324 N 1.52 4.58 0.00 3.58 3.68 -0.08 -4.87 116.67 125.09 1nw1 s ASP 324 Ca 0.06 -0.25 0.23 0.00 2.13 0.00 0.00 52.55 54.72 1nw1 s ASP 324 Cb -0.15 -1.77 0.06 0.00 -1.45 0.00 0.00 42.92 39.62 1nw1 s ASP 324 CO -0.01 0.07 1.14 -1.22 0.13 0.00 0.00 175.17 175.29 1nw1 n TYR 325 N 4.17 0.00 -1.96 -5.34 4.01 -1.26 -0.54 117.16 116.24 1nw1 n TYR 325 Ca -0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.16 1nw1 n TYR 325 Cb 0.52 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 1nw1 n TYR 325 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nw1 n ASP 326 N 0.20 7.48 -4.13 7.72 8.00 -1.26 -4.71 116.55 129.85 1nw1 n ASP 326 Ca 0.10 -3.05 -0.32 0.00 0.71 0.00 0.00 54.79 52.23 1nw1 n ASP 326 Cb 0.49 -1.42 -0.16 0.00 -0.02 0.00 0.00 41.12 40.01 1nw1 n ASP 326 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nw1 s ILE 327 N -0.31 1.92 0.00 0.53 -1.09 -1.26 -5.02 121.20 115.97 1nw1 s ILE 327 Ca 0.53 -0.88 0.18 0.00 -2.23 0.00 0.00 60.65 58.25 1nw1 s ILE 327 Cb 0.17 -1.72 0.12 0.00 -1.58 0.00 0.00 42.46 39.44 1nw1 s ILE 327 CO -0.07 0.52 1.61 0.44 -1.23 0.00 0.00 174.94 176.21 1nw1 h ASP 328 N 7.54 0.00 -2.97 3.58 3.32 -1.90 -3.41 116.42 122.58 1nw1 h ASP 328 Ca -0.36 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.07 1nw1 h ASP 328 Cb 1.17 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 1nw1 h ASP 328 CO 0.56 0.41 -0.53 -1.61 -1.72 0.00 0.00 179.24 176.35 1nw1 s GLU 329 N -3.30 3.29 0.68 3.56 8.01 -1.26 -4.91 118.70 124.76 1nw1 s GLU 329 Ca 0.02 -0.52 -0.17 0.00 0.01 0.00 0.00 54.97 54.31 1nw1 s GLU 329 Cb 0.09 -2.95 0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1nw1 s GLU 329 CO 0.70 0.59 1.20 0.00 0.01 0.00 0.00 175.26 177.76 1nw1 n ALA 330 N 0.30 0.68 1.37 5.21 0.00 -1.26 -0.44 120.51 126.36 1nw1 n ALA 330 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1nw1 n ALA 330 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1nw1 n ALA 330 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nw1 n PRO 331 N -1.99 0.78 -2.14 0.00 -0.04 -1.26 -4.88 135.00 125.47 1nw1 n PRO 331 Ca 0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1nw1 n PRO 331 Cb 0.48 -1.10 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1nw1 n PRO 331 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nw1 n PHE 332 N -0.35 -0.22 -3.53 0.54 3.72 0.41 -0.86 117.46 117.18 1nw1 n PHE 332 Ca 0.00 0.02 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 1nw1 n PHE 332 Cb 0.05 -1.57 -0.04 0.00 -0.94 0.00 0.00 39.48 36.98 1nw1 n PHE 332 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1nw1 s TYR 333 N -2.28 -0.44 -0.02 1.38 -0.85 -1.26 -4.30 117.35 109.58 1nw1 s TYR 333 Ca 0.01 0.56 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 1nw1 s TYR 333 Cb -0.00 0.48 0.02 0.00 0.38 0.00 0.00 41.96 42.84 1nw1 s TYR 333 CO 0.01 -0.51 0.00 0.21 -1.52 0.00 0.00 175.55 173.74 1nw1 s LYS 334 N -2.05 0.14 -0.15 -3.49 2.20 0.30 -4.97 119.74 111.71 1nw1 s LYS 334 Ca -0.01 0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 1nw1 s LYS 334 Cb -0.01 -0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.00 1nw1 s LYS 334 CO -0.02 -0.09 -0.05 0.42 -0.36 0.00 0.00 175.35 175.25 1nw1 s ILE 335 N 0.67 3.72 -0.44 5.43 1.01 -1.26 -0.90 121.20 129.43 1nw1 s ILE 335 Ca -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1nw1 s ILE 335 Cb -0.09 -2.62 0.14 0.00 0.01 0.00 0.00 42.46 39.90 1nw1 s ILE 335 CO -0.02 0.50 0.26 -1.10 0.00 0.00 0.00 174.94 174.59 1nw1 s GLN 336 N 0.38 1.16 0.58 2.79 -0.21 0.02 -4.98 119.66 119.41 1nw1 s GLN 336 Ca -0.05 -1.96 0.29 0.00 0.02 0.00 0.00 55.36 53.65 1nw1 s GLN 336 Cb -0.15 -2.07 1.46 0.00 1.00 0.00 0.00 33.01 33.26 1nw1 s GLN 336 CO 0.03 -1.21 1.88 1.79 -2.12 0.00 0.00 175.29 175.67 1nw1 h THR 337 N 5.06 0.41 0.00 -0.19 1.35 -1.97 0.89 112.91 118.45 1nw1 h THR 337 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1nw1 h THR 337 Cb 0.92 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1nw1 h THR 337 CO 0.44 0.00 0.00 1.05 -0.25 0.00 0.00 175.52 176.76 1nw1 h GLU 338 N 0.00 0.00 -0.01 4.72 9.09 -1.95 -1.89 114.58 124.54 1nw1 h GLU 338 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1nw1 h GLU 338 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1nw1 h GLU 338 CO -0.00 0.00 -0.07 0.09 0.05 0.00 0.00 179.01 179.08 1nw1 n ASN 339 N -2.62 0.90 -4.74 3.06 5.03 0.31 -4.90 115.26 112.30 1nw1 n ASN 339 Ca -0.01 -1.09 -0.42 0.00 0.87 0.00 0.00 54.58 53.93 1nw1 n ASN 339 Cb 0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.90 1nw1 n ASN 339 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1nw1 n PHE 340 N -0.44 2.69 -1.67 3.10 -0.00 -0.71 -4.59 117.46 115.84 1nw1 n PHE 340 Ca 0.18 0.43 -0.40 0.00 -0.00 0.00 0.00 57.45 57.65 1nw1 n PHE 340 Cb 0.29 -2.51 0.02 0.00 -0.00 0.00 0.00 39.48 37.28 1nw1 n PHE 340 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1nw1 n PRO 341 N 1.01 1.65 -1.52 -7.13 -0.04 -1.26 -4.97 135.00 122.74 1nw1 n PRO 341 Ca 0.05 0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 63.80 1nw1 n PRO 341 Cb 0.37 -2.30 0.08 0.00 -0.04 0.00 0.00 33.50 31.61 1nw1 n PRO 341 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nw1 s GLU 342 N -2.29 2.32 0.17 0.54 0.41 -1.26 -4.80 118.70 113.78 1nw1 s GLU 342 Ca 0.64 0.78 -0.17 0.00 -0.41 0.00 0.00 54.97 55.82 1nw1 s GLU 342 Cb -0.50 -1.93 0.11 0.00 -1.78 0.00 0.00 34.13 30.03 1nw1 s GLU 342 CO 0.56 -1.49 1.66 -0.97 -0.49 0.00 0.00 175.26 174.52 1nw1 h ASN 343 N -1.00 -0.43 0.39 -0.19 -1.24 -2.00 -0.38 115.58 110.73 1nw1 h ASN 343 Ca -0.46 0.13 -0.02 0.00 0.71 0.00 0.00 56.30 56.66 1nw1 h ASN 343 Cb 1.25 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 40.57 1nw1 h ASN 343 CO 0.58 -0.15 -0.11 0.44 -1.29 0.00 0.00 177.43 176.90 1nw1 h ASP 344 N -0.02 0.00 -0.06 1.15 3.32 -1.99 -1.25 116.42 117.57 1nw1 h ASP 344 Ca 0.20 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 1nw1 h ASP 344 Cb 0.33 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.89 1nw1 h ASP 344 CO -0.45 0.11 -0.92 1.56 -1.72 0.00 0.00 179.24 177.82 1nw1 h GLN 345 N 0.00 0.73 -0.51 3.56 4.20 -1.45 -1.66 115.11 119.97 1nw1 h GLN 345 Ca -0.00 -0.71 -0.05 0.00 0.06 0.00 0.00 58.65 57.95 1nw1 h GLN 345 Cb 0.33 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1nw1 h GLN 345 CO 0.01 1.29 0.10 0.52 -0.67 0.00 0.00 178.83 180.09 1nw1 h MET 346 N 0.43 0.80 -0.40 1.46 2.86 -0.76 -1.95 114.93 117.37 1nw1 h MET 346 Ca -0.10 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1nw1 h MET 346 Cb 1.57 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1nw1 h MET 346 CO 0.18 0.74 0.19 -0.07 1.06 0.00 0.00 176.91 179.01 1nw1 h LEU 347 N 0.77 0.52 -0.94 1.22 3.38 -1.12 -1.61 115.31 117.53 1nw1 h LEU 347 Ca 0.17 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1nw1 h LEU 347 Cb 0.32 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1nw1 h LEU 347 CO 0.00 0.50 0.62 -0.33 0.09 0.00 0.00 178.44 179.31 1nw1 h GLU 348 N 0.50 1.20 -0.15 1.13 4.39 -0.91 0.90 114.58 121.65 1nw1 h GLU 348 Ca 0.14 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.78 1nw1 h GLU 348 Cb 0.11 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1nw1 h GLU 348 CO -0.02 0.80 0.03 0.35 -1.16 0.00 0.00 179.01 179.01 1nw1 h PHE 349 N 1.24 0.06 -0.11 4.33 3.04 -0.97 -2.32 116.94 122.20 1nw1 h PHE 349 Ca 0.35 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.23 1nw1 h PHE 349 Cb -0.10 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1nw1 h PHE 349 CO -0.01 0.02 -0.29 0.74 -2.02 0.00 0.00 178.31 176.76 1nw1 h PHE 350 N 0.10 0.23 -0.25 0.41 0.04 -0.69 -1.13 116.94 115.64 1nw1 h PHE 350 Ca 0.06 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.81 1nw1 h PHE 350 Cb 0.05 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1nw1 h PHE 350 CO -0.12 0.48 0.10 -0.07 -0.60 0.00 0.00 178.31 178.10 1nw1 h LEU 351 N 0.18 0.12 -0.20 1.54 3.38 -0.32 0.21 115.31 120.22 1nw1 h LEU 351 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nw1 h LEU 351 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1nw1 h LEU 351 CO 0.04 0.10 0.01 0.78 0.09 0.00 0.00 178.44 179.46 1nw1 h ASN 352 N 0.22 0.33 0.09 -0.43 2.35 -1.17 -1.58 115.58 115.39 1nw1 h ASN 352 Ca 0.11 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1nw1 h ASN 352 Cb 0.06 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1nw1 h ASN 352 CO -0.10 0.55 -0.17 0.22 -1.65 0.00 0.00 177.43 176.28 1nw1 h TYR 353 N 0.11 -0.45 -0.51 1.19 5.03 -0.96 -0.07 116.97 121.30 1nw1 h TYR 353 Ca 0.06 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 1nw1 h TYR 353 Cb 0.37 0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 1nw1 h TYR 353 CO 0.03 -0.25 0.16 -0.07 -1.32 0.00 0.00 178.16 176.71 1nw1 h LEU 354 N -0.33 0.70 -0.64 2.82 3.38 -0.61 -2.12 115.31 118.51 1nw1 h LEU 354 Ca 0.03 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1nw1 h LEU 354 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1nw1 h LEU 354 CO -0.10 0.66 -0.20 -0.09 0.09 0.00 0.00 178.44 178.81 1nw1 h ARG 355 N 0.74 0.87 -0.43 1.13 2.43 -0.91 -2.99 114.38 115.22 1nw1 h ARG 355 Ca 0.17 -0.34 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1nw1 h ARG 355 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1nw1 h ARG 355 CO -0.01 0.98 -0.08 1.49 -1.51 0.00 0.00 179.97 180.85 1nw1 h GLU 356 N 0.76 0.75 0.00 0.20 4.57 -0.61 -2.71 114.58 117.53 1nw1 h GLU 356 Ca 0.11 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1nw1 h GLU 356 Cb 0.73 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1nw1 h GLU 356 CO 0.06 0.81 -0.00 1.96 -1.18 0.00 0.00 179.01 180.66 1nw1 h GLN 357 N 0.69 0.00 -0.50 1.92 4.20 -1.25 -3.47 115.11 116.70 1nw1 h GLN 357 Ca 0.12 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.62 1nw1 h GLN 357 Cb 0.53 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 1nw1 h GLN 357 CO 0.03 0.00 -0.19 0.41 -0.67 0.00 0.00 178.83 178.41 1nw1 n GLY 358 N -0.21 1.13 0.80 3.46 0.00 -1.02 -4.87 105.19 104.48 1nw1 n GLY 358 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1nw1 n GLY 358 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nw1 n ASN 359 N -0.38 3.36 -4.02 1.61 3.02 -1.26 -4.97 115.26 112.63 1nw1 n ASN 359 Ca -0.10 -2.33 -0.25 0.00 -0.03 0.00 0.00 54.58 51.87 1nw1 n ASN 359 Cb 0.43 -0.35 -0.17 0.00 -0.61 0.00 0.00 39.78 39.08 1nw1 n ASN 359 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nw1 s THR 360 N -1.59 1.15 0.31 3.41 2.01 -1.26 -5.12 115.64 114.55 1nw1 s THR 360 Ca 0.31 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 1nw1 s THR 360 Cb 0.20 -1.06 -0.10 0.00 0.01 0.00 0.00 72.50 71.56 1nw1 s THR 360 CO 0.15 0.36 1.31 0.00 -0.69 0.00 0.00 174.62 175.75 1nw1 s ARG 361 N 0.76 4.36 0.40 4.92 3.03 -1.26 -4.88 118.95 126.27 1nw1 s ARG 361 Ca -0.13 2.20 0.19 0.00 2.03 0.00 0.00 55.73 60.03 1nw1 s ARG 361 Cb -0.16 -3.08 1.14 0.00 -1.03 0.00 0.00 34.95 31.82 1nw1 s ARG 361 CO 0.03 -0.20 1.75 1.49 -1.13 0.00 0.00 175.30 177.24 1nw1 h GLU 362 N 3.66 0.35 0.00 3.89 4.57 -2.01 0.29 114.58 125.33 1nw1 h GLU 362 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1nw1 h GLU 362 Cb 1.22 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1nw1 h GLU 362 CO 0.67 0.23 0.00 0.27 -1.18 0.00 0.00 179.01 179.00 1nw1 n ASN 363 N -4.64 0.00 0.00 1.04 6.94 -1.26 -3.17 115.26 114.17 1nw1 n ASN 363 Ca 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 1nw1 n ASN 363 Cb 0.93 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 1nw1 n ASN 363 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nw1 n GLU 364 N -0.79 -0.29 0.31 -3.83 1.02 0.99 -4.81 120.64 113.23 1nw1 n GLU 364 Ca 0.14 -0.40 -0.17 0.00 -0.02 0.00 0.00 57.16 56.70 1nw1 n GLU 364 Cb 0.06 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 1nw1 n GLU 364 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1nw1 h LEU 365 N 0.00 -0.84 -0.39 -4.62 3.38 -1.47 -0.99 115.31 110.39 1nw1 h LEU 365 Ca 0.00 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1nw1 h LEU 365 Cb 0.05 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1nw1 h LEU 365 CO 0.00 -0.52 -0.11 0.22 0.09 0.00 0.00 178.44 178.12 1nw1 h TYR 366 N -0.83 -0.23 -0.48 1.13 3.20 -1.87 0.21 116.97 118.10 1nw1 h TYR 366 Ca -0.06 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1nw1 h TYR 366 Cb 0.67 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1nw1 h TYR 366 CO -0.10 -0.18 0.14 0.87 -1.64 0.00 0.00 178.16 177.26 1nw1 h LYS 367 N -0.01 0.76 -0.45 1.82 1.79 -1.88 -1.47 116.57 117.13 1nw1 h LYS 367 Ca 0.19 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 1nw1 h LYS 367 Cb 0.30 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1nw1 h LYS 367 CO -0.41 0.72 0.01 0.87 -1.08 0.00 0.00 179.45 179.56 1nw1 h LYS 368 N 0.65 0.74 -0.86 3.15 1.57 -0.74 -2.04 116.57 119.05 1nw1 h LYS 368 Ca 0.16 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1nw1 h LYS 368 Cb 0.29 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1nw1 h LYS 368 CO -0.00 0.75 0.50 0.77 -0.57 0.00 0.00 179.45 180.89 1nw1 h SER 369 N 0.70 1.04 -0.65 0.86 0.02 -0.12 -1.42 113.55 113.98 1nw1 h SER 369 Ca 0.14 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1nw1 h SER 369 Cb 0.42 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1nw1 h SER 369 CO 0.02 0.81 0.34 -0.33 -1.14 0.00 0.00 176.83 176.52 1nw1 h GLU 370 N 1.18 0.91 -0.30 3.45 5.08 -0.59 -1.46 114.58 122.86 1nw1 h GLU 370 Ca 0.31 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1nw1 h GLU 370 Cb -0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1nw1 h GLU 370 CO -0.05 0.70 0.00 -0.44 -1.00 0.00 0.00 179.01 178.22 1nw1 h ASP 371 N 0.89 0.42 -0.28 1.42 3.32 -0.90 -2.42 116.42 118.87 1nw1 h ASP 371 Ca 0.23 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1nw1 h ASP 371 Cb 0.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1nw1 h ASP 371 CO -0.03 0.49 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.82 1nw1 h LEU 372 N 0.44 0.65 -0.21 1.55 3.38 -0.25 -0.87 115.31 120.00 1nw1 h LEU 372 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nw1 h LEU 372 Cb 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1nw1 h LEU 372 CO 0.01 0.77 0.11 0.58 0.09 0.00 0.00 178.44 180.00 1nw1 h VAL 373 N 0.62 1.13 -0.35 1.22 2.07 -0.90 -0.32 116.25 119.71 1nw1 h VAL 373 Ca 0.11 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1nw1 h VAL 373 Cb 0.51 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1nw1 h VAL 373 CO 0.03 0.12 -0.08 1.56 0.02 0.00 0.00 177.57 179.21 1nw1 h GLN 374 N 0.22 0.60 -0.26 1.57 1.08 -1.33 -1.81 115.11 115.17 1nw1 h GLN 374 Ca 0.07 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1nw1 h GLN 374 Cb 0.10 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1nw1 h GLN 374 CO -0.01 0.68 -0.18 1.49 -0.95 0.00 0.00 178.83 179.86 1nw1 h GLU 375 N 0.55 0.46 0.15 1.46 4.81 -0.84 -3.29 114.58 117.88 1nw1 h GLU 375 Ca 0.10 -0.15 -0.31 0.00 -0.13 0.00 0.00 59.36 58.88 1nw1 h GLU 375 Cb 0.48 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.85 1nw1 h GLU 375 CO 0.03 0.62 -1.31 1.15 -0.73 0.00 0.00 179.01 178.77 1nw1 h THR 376 N 0.42 1.28 -0.80 0.32 2.02 -0.42 -3.38 112.91 112.35 1nw1 h THR 376 Ca 0.07 -2.52 0.19 0.00 0.77 0.00 0.00 66.41 64.92 1nw1 h THR 376 Cb 0.55 2.77 -0.12 0.00 -1.74 0.00 0.00 68.15 69.61 1nw1 h THR 376 CO 0.04 0.76 0.21 -0.07 0.37 0.00 0.00 175.52 176.83 1nw1 h LEU 377 N 0.25 0.03 -2.54 2.58 3.38 -1.42 -0.86 115.31 116.74 1nw1 h LEU 377 Ca -0.21 0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1nw1 h LEU 377 Cb 1.98 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.95 1nw1 h LEU 377 CO 0.25 -0.07 0.10 -0.65 0.09 0.00 0.00 178.44 178.16 1nw1 h PRO 378 N 0.26 0.00 -0.01 1.13 0.11 -1.74 -1.73 132.00 130.03 1nw1 h PRO 378 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1nw1 h PRO 378 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nw1 h PRO 378 CO -0.56 0.00 -0.16 1.19 -0.21 0.00 0.00 178.00 178.26 1nw1 n PHE 379 N -3.40 0.00 0.26 0.65 3.72 -0.33 -4.03 117.46 114.34 1nw1 n PHE 379 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1nw1 n PHE 379 Cb 0.19 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1nw1 n PHE 379 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1nw1 h VAL 380 N 1.17 0.50 0.00 -4.37 2.07 -1.38 -0.44 116.25 113.81 1nw1 h VAL 380 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1nw1 h VAL 380 Cb 0.45 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nw1 h VAL 380 CO 0.00 0.00 -0.16 1.55 0.02 0.00 0.00 177.57 178.98 1nw1 h PRO 381 N -0.64 0.00 -0.36 1.57 0.13 -1.77 -2.45 132.00 128.48 1nw1 h PRO 381 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1nw1 h PRO 381 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1nw1 h PRO 381 CO 0.08 0.16 0.12 0.28 -0.23 0.00 0.00 178.00 178.42 1nw1 h VAL 382 N 0.00 1.20 -0.40 1.56 2.07 -1.52 -0.37 116.25 118.80 1nw1 h VAL 382 Ca -0.00 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1nw1 h VAL 382 Cb 0.45 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1nw1 h VAL 382 CO 0.02 0.23 0.20 -1.28 0.02 0.00 0.00 177.57 176.76 1nw1 h SER 383 N 0.43 0.51 -0.61 0.57 0.87 -0.77 -1.37 113.55 113.19 1nw1 h SER 383 Ca 0.12 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1nw1 h SER 383 Cb 0.23 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1nw1 h SER 383 CO -0.01 0.48 0.38 0.45 -0.53 0.00 0.00 176.83 177.60 1nw1 h HIS 384 N 0.50 0.70 -0.09 2.24 3.86 -1.22 -1.82 115.15 119.32 1nw1 h HIS 384 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1nw1 h HIS 384 Cb 0.10 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1nw1 h HIS 384 CO -0.02 0.40 0.01 0.35 0.86 0.00 0.00 177.93 179.54 1nw1 h PHE 385 N 0.74 0.16 0.05 2.45 3.57 -0.86 -0.97 116.94 122.07 1nw1 h PHE 385 Ca 0.24 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1nw1 h PHE 385 Cb 0.02 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1nw1 h PHE 385 CO -0.05 0.36 -0.53 0.35 -2.23 0.00 0.00 178.31 176.21 1nw1 h PHE 386 N -0.09 -1.54 0.00 0.41 3.57 -0.99 -0.79 116.94 117.51 1nw1 h PHE 386 Ca 0.03 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1nw1 h PHE 386 Cb 0.29 0.67 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1nw1 h PHE 386 CO 0.02 -0.58 -0.17 -1.49 -2.23 0.00 0.00 178.31 173.86 1nw1 h TRP 387 N -0.70 0.00 0.04 0.41 4.06 -1.41 -1.70 115.95 116.65 1nw1 h TRP 387 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1nw1 h TRP 387 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.89 1nw1 h TRP 387 CO -0.49 0.17 -0.02 0.78 -3.56 0.00 0.00 178.44 175.32 1nw1 h GLY 388 N 1.88 -0.06 1.10 1.49 0.00 -0.37 0.41 103.07 107.53 1nw1 h GLY 388 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1nw1 h GLY 388 CO 0.02 -0.02 0.14 -2.08 0.00 0.00 0.00 176.54 174.60 1nw1 h VAL 389 N -0.33 1.26 -0.34 4.60 2.07 -1.08 -1.95 116.25 120.48 1nw1 h VAL 389 Ca -0.01 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1nw1 h VAL 389 Cb 0.30 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1nw1 h VAL 389 CO 0.01 0.38 0.21 -0.25 0.02 0.00 0.00 177.57 177.94 1nw1 h TRP 390 N 1.04 0.40 -0.50 1.57 7.01 -1.14 -2.19 115.95 122.14 1nw1 h TRP 390 Ca 0.21 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.27 1nw1 h TRP 390 Cb 0.40 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 1nw1 h TRP 390 CO 0.03 0.24 0.23 0.78 -2.79 0.00 0.00 178.44 176.94 1nw1 h GLY 391 N 0.43 0.69 1.18 2.65 0.00 0.24 -1.35 103.07 106.92 1nw1 h GLY 391 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1nw1 h GLY 391 CO -0.05 0.08 0.36 1.41 0.00 0.00 0.00 176.54 178.35 1nw1 h LEU 392 N 0.46 0.96 -0.55 3.11 3.38 -1.09 -2.78 115.31 118.79 1nw1 h LEU 392 Ca 0.23 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1nw1 h LEU 392 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nw1 h LEU 392 CO -0.18 0.81 -0.56 0.25 0.09 0.00 0.00 178.44 178.85 1nw1 h LEU 393 N 1.05 0.54 -2.17 1.67 5.85 -0.90 -2.96 115.31 118.41 1nw1 h LEU 393 Ca 0.26 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1nw1 h LEU 393 Cb 0.10 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1nw1 h LEU 393 CO -0.03 0.99 -0.07 1.56 -0.34 0.00 0.00 178.44 180.55 1nw1 h GLN 394 N 0.37 0.00 -1.00 1.25 1.08 -0.99 -2.33 115.11 113.49 1nw1 h GLN 394 Ca 0.00 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 1nw1 h GLN 394 Cb 1.09 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.43 1nw1 h GLN 394 CO 0.10 0.07 0.62 0.28 -0.95 0.00 0.00 178.83 178.95 1nw1 h VAL 395 N 0.00 0.83 0.00 -0.54 2.07 -1.35 0.75 116.25 118.00 1nw1 h VAL 395 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1nw1 h VAL 395 Cb 0.22 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1nw1 h VAL 395 CO 0.01 0.16 -0.97 -0.62 0.02 0.00 0.00 177.57 176.17 1nw1 n GLU 396 N -4.68 0.18 -0.04 1.57 -0.58 -0.89 -4.54 120.64 111.66 1nw1 n GLU 396 Ca 0.21 -0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.91 1nw1 n GLU 396 Cb 0.44 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.68 1nw1 n GLU 396 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nw1 n LEU 397 N -1.77 0.00 -4.82 -4.62 4.77 -0.88 -5.04 117.00 104.65 1nw1 n LEU 397 Ca 0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.64 1nw1 n LEU 397 Cb 0.40 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1nw1 n LEU 397 CO 0.40 0.19 -0.02 -0.55 -1.33 0.00 0.00 177.39 176.09 1nw1 s SER 398 N -4.02 6.57 0.00 -1.43 0.15 0.20 -4.92 113.70 110.25 1nw1 s SER 398 Ca -0.05 0.67 0.25 0.00 0.70 0.00 0.00 55.95 57.52 1nw1 s SER 398 Cb 0.04 -2.17 0.49 0.00 -1.71 0.00 0.00 66.02 62.66 1nw1 s SER 398 CO 0.43 0.29 1.40 -0.81 1.20 0.00 0.00 173.24 175.74 1nw1 n PRO 399 N 2.39 0.99 -1.77 5.44 -0.04 -1.26 -4.89 135.00 135.86 1nw1 n PRO 399 Ca -0.15 -0.68 -0.41 0.00 -0.04 0.00 0.00 63.50 62.21 1nw1 n PRO 399 Cb 0.53 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1nw1 n PRO 399 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nw1 n VAL 400 N -0.41 1.80 -2.41 0.52 0.31 -1.26 -4.77 118.33 112.11 1nw1 n VAL 400 Ca 0.11 -0.45 -0.41 0.00 -0.01 0.00 0.00 64.34 63.58 1nw1 n VAL 400 Cb 0.39 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 31.32 1nw1 n VAL 400 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nw1 n GLY 401 N 0.80 2.54 3.11 2.92 0.00 -1.26 -4.87 105.19 108.42 1nw1 n GLY 401 Ca 0.03 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 1nw1 n GLY 401 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nw1 s PHE 402 N 5.08 -0.15 -1.35 1.61 5.36 -1.26 -4.96 117.98 122.30 1nw1 s PHE 402 Ca 0.55 0.35 -0.16 0.00 -0.96 0.00 0.00 56.93 56.72 1nw1 s PHE 402 Cb 0.04 0.05 0.07 0.00 -0.34 0.00 0.00 43.02 42.84 1nw1 s PHE 402 CO 0.07 -0.18 1.91 0.41 -1.46 0.00 0.00 175.22 175.97 1nw1 n GLY 403 N 2.40 3.47 0.32 13.12 0.00 -0.04 -4.77 105.19 119.70 1nw1 n GLY 403 Ca -0.16 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.27 1nw1 n GLY 403 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1nw1 h PHE 404 N 6.84 0.76 0.04 1.61 0.04 -1.86 -0.58 116.94 123.79 1nw1 h PHE 404 Ca 0.48 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.24 1nw1 h PHE 404 Cb 0.77 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1nw1 h PHE 404 CO 1.40 0.53 -0.02 0.00 -0.60 0.00 0.00 178.31 179.63 1nw1 h ALA 405 N 1.55 -0.05 -0.47 2.45 0.00 -1.86 0.30 119.26 121.18 1nw1 h ALA 405 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nw1 h ALA 405 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nw1 h ALA 405 CO -0.03 -0.53 -0.10 -0.44 0.00 0.00 0.00 179.25 178.14 1nw1 h ASP 406 N -0.05 0.85 -0.34 0.00 3.32 -1.91 -2.57 116.42 115.71 1nw1 h ASP 406 Ca -0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1nw1 h ASP 406 Cb 0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1nw1 h ASP 406 CO 0.01 0.97 0.12 0.22 -1.72 0.00 0.00 179.24 178.84 1nw1 h TYR 407 N 0.77 0.54 -0.49 4.55 3.20 -0.69 0.01 116.97 124.86 1nw1 h TYR 407 Ca 0.13 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1nw1 h TYR 407 Cb 0.61 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1nw1 h TYR 407 CO 0.03 0.52 0.28 0.78 -1.64 0.00 0.00 178.16 178.13 1nw1 h GLY 408 N 0.40 0.73 0.96 1.82 0.00 -0.35 -1.26 103.07 105.36 1nw1 h GLY 408 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1nw1 h GLY 408 CO -0.01 0.31 0.16 3.21 0.00 0.00 0.00 176.54 180.21 1nw1 h ARG 409 N 0.66 0.70 -0.11 4.80 3.08 -1.31 -1.01 114.38 121.18 1nw1 h ARG 409 Ca 0.18 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nw1 h ARG 409 Cb 0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1nw1 h ARG 409 CO -0.03 0.65 0.05 -0.44 -1.07 0.00 0.00 179.97 179.13 1nw1 h ASP 410 N 0.60 0.14 -0.46 7.04 3.32 -0.73 -0.35 116.42 125.97 1nw1 h ASP 410 Ca 0.15 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1nw1 h ASP 410 Cb 0.23 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1nw1 h ASP 410 CO -0.01 0.23 0.26 0.03 -1.72 0.00 0.00 179.24 178.03 1nw1 h ARG 411 N 0.04 0.63 -0.94 3.56 2.47 -1.20 -2.06 114.38 116.88 1nw1 h ARG 411 Ca 0.04 -0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1nw1 h ARG 411 Cb 0.13 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 1nw1 h ARG 411 CO -0.00 0.49 0.61 -0.07 0.56 0.00 0.00 179.97 181.55 1nw1 h LEU 412 N 0.61 1.00 -1.08 3.04 3.38 -1.00 -0.40 115.31 120.86 1nw1 h LEU 412 Ca 0.16 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1nw1 h LEU 412 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1nw1 h LEU 412 CO -0.03 0.68 -0.07 0.77 0.09 0.00 0.00 178.44 179.88 1nw1 h SER 413 N 1.16 0.54 0.52 -0.43 4.64 -0.71 -1.24 113.55 118.03 1nw1 h SER 413 Ca 0.38 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1nw1 h SER 413 Cb 0.04 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1nw1 h SER 413 CO -0.13 0.66 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.08 1nw1 h LEU 414 N 0.53 0.00 0.18 5.97 3.38 -0.55 -0.39 115.31 124.42 1nw1 h LEU 414 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1nw1 h LEU 414 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1nw1 h LEU 414 CO 0.02 0.34 -0.09 0.22 0.09 0.00 0.00 178.44 179.03 1nw1 h TYR 415 N 0.00 -0.22 -0.32 1.13 3.20 0.06 -2.09 116.97 118.73 1nw1 h TYR 415 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1nw1 h TYR 415 Cb 0.70 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1nw1 h TYR 415 CO 0.00 0.06 -0.00 0.74 -1.64 0.00 0.00 178.16 177.32 1nw1 h PHE 416 N -0.50 0.50 -0.08 -3.82 0.04 -1.20 0.16 116.94 112.04 1nw1 h PHE 416 Ca -0.02 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1nw1 h PHE 416 Cb 0.38 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1nw1 h PHE 416 CO 0.01 0.50 -0.20 -0.22 -0.60 0.00 0.00 178.31 177.80 1nw1 h LYS 417 N 0.47 0.13 -0.03 1.51 1.63 -0.93 -3.10 116.57 116.25 1nw1 h LYS 417 Ca 0.10 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1nw1 h LYS 417 Cb 0.31 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1nw1 h LYS 417 CO 0.01 0.33 0.00 0.72 -3.45 0.00 0.00 179.45 177.06 1nw1 n HIS 418 N -4.25 0.09 -0.20 1.91 8.25 -0.80 -4.75 115.22 115.47 1nw1 n HIS 418 Ca -0.01 -0.82 0.14 0.00 -0.26 0.00 0.00 57.72 56.76 1nw1 n HIS 418 Cb 0.30 -0.13 0.45 0.00 1.12 0.00 0.00 29.99 31.73 1nw1 n HIS 418 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1nw1 h LYS 419 N 0.21 0.52 -0.59 -0.41 3.64 -0.62 -1.65 116.57 117.68 1nw1 h LYS 419 Ca 0.00 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1nw1 h LYS 419 Cb 0.88 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 1nw1 h LYS 419 CO 0.02 0.35 0.39 0.37 -2.27 0.00 0.00 179.45 178.31 1nw1 h GLN 420 N 0.54 0.41 -0.01 1.90 5.75 -1.85 -0.72 115.11 121.12 1nw1 h GLN 420 Ca 0.40 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1nw1 h GLN 420 Cb 0.77 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 1nw1 h GLN 420 CO -0.15 0.27 0.01 -0.07 -2.65 0.00 0.00 178.83 176.24 1nw1 h LEU 421 N 0.42 0.02 0.14 -2.39 3.38 -1.65 -0.71 115.31 114.52 1nw1 h LEU 421 Ca 0.27 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.98 1nw1 h LEU 421 Cb 0.50 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nw1 h LEU 421 CO -0.07 0.01 -1.27 0.25 0.09 0.00 0.00 178.44 177.45 1nw1 h LEU 422 N 0.02 0.46 -1.68 1.67 5.85 -1.29 -3.32 115.31 117.02 1nw1 h LEU 422 Ca 0.00 -0.89 0.07 0.00 0.84 0.00 0.00 57.88 57.90 1nw1 h LEU 422 Cb -0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1nw1 h LEU 422 CO -0.00 1.57 0.34 0.50 -0.34 0.00 0.00 178.44 180.51 1nw1 h LYS 423 N -0.26 0.37 -0.49 1.25 1.63 -0.91 -2.02 116.57 116.14 1nw1 h LYS 423 Ca -0.26 -0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1nw1 h LYS 423 Cb 1.79 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.31 1nw1 h LYS 423 CO 0.11 0.24 0.37 -0.91 -3.45 0.00 0.00 179.45 175.81 1nw1 h ASN 424 N 0.38 0.00 0.00 4.20 -0.26 -1.23 -0.72 115.58 117.94 1nw1 h ASN 424 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 1nw1 h ASN 424 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1nw1 h ASN 424 CO -0.06 0.00 0.19 -0.07 -1.06 0.00 0.00 177.43 176.44 1nw1 h LEU 425 N 0.00 0.00 -0.35 1.61 3.38 -1.55 -3.52 115.31 114.88 1nw1 h LEU 425 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1nw1 h LEU 425 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nw1 h LEU 425 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53