#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw2 n PRO 4 N 0.00 0.00 -4.82 1.96 -0.04 -1.26 -4.70 135.00 126.14 3kw2 n PRO 4 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3kw2 n PRO 4 Cb 0.00 -0.77 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 3kw2 n PRO 4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kw2 s LEU 5 N 3.45 2.82 0.18 1.53 2.96 -1.26 -4.17 118.68 124.19 3kw2 s LEU 5 Ca 0.45 -0.18 0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3kw2 s LEU 5 Cb -0.47 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3kw2 s LEU 5 CO 0.49 0.34 -0.18 -0.36 -1.32 0.00 0.00 176.35 175.32 3kw2 s PHE 6 N -0.77 2.44 -0.23 5.38 0.08 -0.59 -4.86 117.98 119.43 3kw2 s PHE 6 Ca 0.12 -0.30 -0.10 0.00 0.12 0.00 0.00 56.93 56.77 3kw2 s PHE 6 Cb -0.11 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 3kw2 s PHE 6 CO 0.01 0.50 0.14 -0.47 -0.10 0.00 0.00 175.22 175.30 3kw2 s TYR 7 N -1.65 3.31 -0.40 0.36 5.04 -1.26 -0.74 117.35 122.01 3kw2 s TYR 7 Ca 0.22 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 3kw2 s TYR 7 Cb -0.08 -2.24 0.16 0.00 0.35 0.00 0.00 41.96 40.15 3kw2 s TYR 7 CO 0.12 0.08 0.32 0.00 -1.34 0.00 0.00 175.55 174.72 3kw2 s ALA 8 N 0.94 1.21 0.55 3.97 0.00 -0.07 -4.65 121.76 123.71 3kw2 s ALA 8 Ca 0.07 -2.27 0.29 0.00 0.00 0.00 0.00 51.96 50.05 3kw2 s ALA 8 Cb -0.13 -1.61 1.72 0.00 0.00 0.00 0.00 23.12 23.10 3kw2 s ALA 8 CO 0.03 -2.01 2.21 -1.00 0.00 0.00 0.00 175.76 175.00 3kw2 h PRO 9 N 5.95 0.00 -0.63 0.00 0.13 -1.76 -2.26 132.00 133.43 3kw2 h PRO 9 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3kw2 h PRO 9 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3kw2 h PRO 9 CO 0.34 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 177.88 3kw2 n ASP 10 N -3.84 4.84 0.19 1.44 8.00 -1.26 -4.65 116.55 121.27 3kw2 n ASP 10 Ca -0.03 -2.51 0.17 0.00 0.71 0.00 0.00 54.79 53.13 3kw2 n ASP 10 Cb 0.11 -0.59 0.80 0.00 -0.02 0.00 0.00 41.12 41.43 3kw2 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kw2 h ILE 11 N 4.01 0.55 0.00 0.53 6.09 -1.57 0.31 117.51 127.43 3kw2 h ILE 11 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3kw2 h ILE 11 Cb 1.50 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.64 3kw2 h ILE 11 CO 0.26 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 175.01 3kw2 h GLU 12 N 0.00 0.00 0.00 2.19 5.08 -1.85 -3.28 114.58 116.71 3kw2 h GLU 12 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3kw2 h GLU 12 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kw2 h GLU 12 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3kw2 n GLN 13 N -2.74 -0.59 -3.67 2.33 10.64 -0.01 -5.07 117.38 118.27 3kw2 n GLN 13 Ca 0.02 -0.47 -0.13 0.00 -1.83 0.00 0.00 57.00 54.59 3kw2 n GLN 13 Cb 0.35 -0.97 -0.08 0.00 -0.86 0.00 0.00 30.24 28.67 3kw2 n GLN 13 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3kw2 s SER 14 N -0.05 -0.62 0.00 2.61 0.15 -0.57 -5.02 113.70 110.20 3kw2 s SER 14 Ca 0.00 1.19 0.24 0.00 0.70 0.00 0.00 55.95 58.07 3kw2 s SER 14 Cb 0.00 1.20 0.29 0.00 -1.71 0.00 0.00 66.02 65.80 3kw2 s SER 14 CO 0.00 -0.20 1.27 0.47 1.20 0.00 0.00 173.24 175.97 3kw2 n ASP 15 N 2.80 1.13 -4.67 5.45 8.00 -1.26 -4.22 116.55 123.77 3kw2 n ASP 15 Ca -0.14 -0.91 -0.43 0.00 0.71 0.00 0.00 54.79 54.03 3kw2 n ASP 15 Cb 0.56 0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 3kw2 n ASP 15 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kw2 s ARG 16 N -2.73 4.35 0.56 -1.24 3.52 -1.26 -1.59 118.95 120.55 3kw2 s ARG 16 Ca 0.16 1.38 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 3kw2 s ARG 16 Cb 0.18 -3.59 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 3kw2 s ARG 16 CO 0.66 -0.46 1.02 -0.51 -0.81 0.00 0.00 175.30 175.20 3kw2 s LEU 17 N 2.57 3.56 0.61 -0.88 1.43 -0.22 -4.94 118.68 120.82 3kw2 s LEU 17 Ca 0.46 1.70 -0.19 0.00 -1.03 0.00 0.00 54.13 55.08 3kw2 s LEU 17 Cb -0.17 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 3kw2 s LEU 17 CO 0.12 -0.89 1.10 -2.65 0.23 0.00 0.00 176.35 174.26 3kw2 n PRO 18 N -1.81 1.04 -0.23 1.29 -0.02 -1.26 -4.70 135.00 129.30 3kw2 n PRO 18 Ca 0.08 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 3kw2 n PRO 18 Cb 0.53 -2.31 0.16 0.00 -0.02 0.00 0.00 33.50 31.86 3kw2 n PRO 18 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kw2 h ASP 19 N 0.60 -0.00 -0.35 2.55 3.32 -1.94 -0.97 116.42 119.62 3kw2 h ASP 19 Ca -0.49 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 3kw2 h ASP 19 Cb 1.35 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 3kw2 h ASP 19 CO 0.52 -0.03 0.01 -2.24 -1.72 0.00 0.00 179.24 175.79 3kw2 h ASP 20 N 0.26 0.59 -0.63 6.45 -0.00 -1.97 -0.91 116.42 120.22 3kw2 h ASP 20 Ca 0.38 -0.30 -0.07 0.00 -0.00 0.00 0.00 57.03 57.05 3kw2 h ASP 20 Cb 0.63 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.78 3kw2 h ASP 20 CO -0.48 0.74 0.13 -0.33 -0.00 0.00 0.00 179.24 179.30 3kw2 h GLU 21 N 0.42 1.03 -0.17 4.15 4.39 -1.78 -2.29 114.58 120.33 3kw2 h GLU 21 Ca 0.10 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.58 3kw2 h GLU 21 Cb 0.43 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3kw2 h GLU 21 CO 0.02 0.94 -0.07 0.00 -1.16 0.00 0.00 179.01 178.74 3kw2 h ALA 22 N 1.04 0.07 -0.17 3.43 0.00 -0.95 -0.35 119.26 122.33 3kw2 h ALA 22 Ca 0.19 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3kw2 h ALA 22 Cb 0.40 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3kw2 h ALA 22 CO 0.01 -0.51 -0.07 0.78 0.00 0.00 0.00 179.25 179.45 3kw2 h GLY 23 N -0.05 0.08 1.00 0.00 0.00 -0.91 -0.56 103.07 102.63 3kw2 h GLY 23 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3kw2 h GLY 23 CO -0.20 -0.09 0.37 0.84 0.00 0.00 0.00 176.54 177.45 3kw2 h HIS 24 N -0.05 0.74 -0.31 5.60 6.17 -1.15 0.11 115.15 126.26 3kw2 h HIS 24 Ca 0.09 0.01 -0.16 0.00 0.71 0.00 0.00 60.37 61.02 3kw2 h HIS 24 Cb 0.19 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 3kw2 h HIS 24 CO -0.22 0.49 -0.43 0.82 0.71 0.00 0.00 177.93 179.29 3kw2 h ILE 25 N 0.78 1.29 0.02 6.26 2.04 -0.63 0.44 117.51 127.71 3kw2 h ILE 25 Ca 0.21 -1.62 -0.33 0.00 1.00 0.00 0.00 64.86 64.12 3kw2 h ILE 25 Cb -0.06 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3kw2 h ILE 25 CO -0.04 0.53 -1.85 0.18 0.00 0.00 0.00 178.15 176.97 3kw2 n LEU 26 N -4.03 2.11 -0.02 1.44 4.77 -0.25 -2.51 117.00 118.50 3kw2 n LEU 26 Ca -0.02 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 3kw2 n LEU 26 Cb 0.56 -0.95 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3kw2 n LEU 26 CO 0.48 0.51 0.02 0.03 -1.33 0.00 0.00 177.39 177.10 3kw2 h ARG 27 N -0.75 -0.05 0.24 3.23 -0.00 -0.92 -2.70 114.38 113.43 3kw2 h ARG 27 Ca -0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 58.99 3kw2 h ARG 27 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.54 3kw2 h ARG 27 CO -0.22 -0.03 -0.12 0.28 0.00 0.00 0.00 179.97 179.88 3kw2 h VAL 28 N -0.97 0.69 0.00 2.04 2.07 -1.36 -3.33 116.25 115.39 3kw2 h VAL 28 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3kw2 h VAL 28 Cb 0.04 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3kw2 h VAL 28 CO 0.01 0.16 -0.21 -0.07 0.02 0.00 0.00 177.57 177.48 3kw2 h LEU 29 N -0.87 0.00 -2.16 2.57 3.38 -0.25 -3.50 115.31 114.48 3kw2 h LEU 29 Ca -0.03 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kw2 h LEU 29 Cb 0.51 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 3kw2 h LEU 29 CO 0.06 0.03 -1.38 0.54 0.09 0.00 0.00 178.44 177.77 3kw2 n ARG 30 N -2.41 -4.12 -3.78 1.13 5.12 -1.02 -4.95 116.66 106.63 3kw2 n ARG 30 Ca 0.04 3.15 -0.04 0.00 -1.93 0.00 0.00 57.85 59.07 3kw2 n ARG 30 Cb 0.46 -4.62 -0.02 0.00 -1.16 0.00 0.00 32.46 27.12 3kw2 n ARG 30 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3kw2 s GLN 32 N -0.71 1.34 0.16 5.56 -0.21 -1.26 -4.99 119.66 119.56 3kw2 s GLN 32 Ca -0.23 -0.74 -0.34 0.00 0.02 0.00 0.00 55.36 54.08 3kw2 s GLN 32 Cb 0.02 0.46 -0.14 0.00 1.00 0.00 0.00 33.01 34.35 3kw2 s GLN 32 CO 0.71 -0.61 1.58 0.00 -2.12 0.00 0.00 175.29 174.85 3kw2 n ALA 33 N -0.46 1.44 0.00 6.09 0.00 -1.26 -0.95 120.51 125.37 3kw2 n ALA 33 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3kw2 n ALA 33 Cb 0.60 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3kw2 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kw2 n GLY 34 N 3.44 3.45 3.76 0.00 0.00 0.22 -4.99 105.19 111.08 3kw2 n GLY 34 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kw2 n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kw2 s ASP 35 N -1.02 6.88 0.30 1.61 1.01 -0.12 -4.75 116.67 120.58 3kw2 s ASP 35 Ca 0.00 2.58 -0.15 0.00 0.71 0.00 0.00 52.55 55.69 3kw2 s ASP 35 Cb 0.00 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 3kw2 s ASP 35 CO 0.00 -0.46 0.71 -0.13 0.21 0.00 0.00 175.17 175.51 3kw2 s ARG 36 N -1.56 4.02 0.03 8.23 0.52 -1.26 -1.33 118.95 127.60 3kw2 s ARG 36 Ca 0.49 0.66 0.01 0.00 -0.52 0.00 0.00 55.73 56.37 3kw2 s ARG 36 Cb -0.38 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3kw2 s ARG 36 CO 0.49 0.21 -0.05 -0.51 0.02 0.00 0.00 175.30 175.46 3kw2 s LEU 37 N -2.81 2.21 -0.16 2.53 1.43 0.40 -4.94 118.68 117.34 3kw2 s LEU 37 Ca 0.52 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3kw2 s LEU 37 Cb -0.11 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 3kw2 s LEU 37 CO 0.18 -0.21 0.15 -0.13 0.23 0.00 0.00 176.35 176.57 3kw2 s ARG 38 N -1.29 3.93 0.17 1.70 1.81 -1.26 -1.62 118.95 122.39 3kw2 s ARG 38 Ca -0.11 -0.15 0.09 0.00 -1.72 0.00 0.00 55.73 53.83 3kw2 s ARG 38 Cb -0.09 -3.34 -0.04 0.00 -0.45 0.00 0.00 34.95 31.04 3kw2 s ARG 38 CO -0.00 0.47 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.39 3kw2 s LEU 39 N -0.15 2.44 0.04 2.53 1.43 -0.20 -1.55 118.68 123.23 3kw2 s LEU 39 Ca 0.11 -0.86 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 3kw2 s LEU 39 Cb -0.12 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 3kw2 s LEU 39 CO 0.01 -0.03 -0.13 0.28 0.23 0.00 0.00 176.35 176.72 3kw2 s THR 40 N -2.03 0.98 -1.50 5.49 -1.32 0.08 -0.93 115.64 116.41 3kw2 s THR 40 Ca 0.16 -1.00 0.28 0.00 -1.21 0.00 0.00 61.69 59.92 3kw2 s THR 40 Cb -0.06 -0.92 0.38 0.00 -1.51 0.00 0.00 72.50 70.40 3kw2 s THR 40 CO 0.07 -0.08 1.82 -0.90 -2.21 0.00 0.00 174.62 173.32 3kw2 n ASP 41 N 1.82 0.42 0.00 8.08 5.75 -1.16 -0.89 116.55 130.57 3kw2 n ASP 41 Ca -0.19 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 3kw2 n ASP 41 Cb 0.55 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3kw2 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kw2 n GLY 42 N 1.33 0.57 0.70 6.12 0.00 -1.23 -4.35 105.19 108.32 3kw2 n GLY 42 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3kw2 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw2 n ARG 43 N -2.57 0.86 0.00 1.61 1.74 -0.98 -4.20 116.66 113.12 3kw2 n ARG 43 Ca 0.00 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 3kw2 n ARG 43 Cb 0.03 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3kw2 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kw2 n GLY 44 N -0.60 0.74 3.27 -0.13 0.00 0.05 -5.00 105.19 103.52 3kw2 n GLY 44 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3kw2 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kw2 s SER 45 N -1.99 2.73 0.09 1.61 0.01 -1.26 0.37 113.70 115.26 3kw2 s SER 45 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3kw2 s SER 45 Cb 0.00 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3kw2 s SER 45 CO 0.00 0.25 0.21 -0.36 0.41 0.00 0.00 173.24 173.75 3kw2 s PHE 46 N -0.65 3.47 -0.02 2.43 0.08 0.34 -2.99 117.98 120.63 3kw2 s PHE 46 Ca 0.09 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.36 3kw2 s PHE 46 Cb -0.09 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3kw2 s PHE 46 CO 0.00 0.56 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.55 3kw2 s PHE 47 N -1.56 0.86 -0.09 0.36 0.40 -0.11 -0.84 117.98 117.01 3kw2 s PHE 47 Ca 0.34 -0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.29 3kw2 s PHE 47 Cb -0.12 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 3kw2 s PHE 47 CO 0.27 -0.09 0.46 -0.51 0.70 0.00 0.00 175.22 176.05 3kw2 s ASP 48 N 0.22 6.71 0.07 1.36 1.01 0.23 -1.03 116.67 125.23 3kw2 s ASP 48 Ca -0.03 0.84 -0.08 0.00 0.71 0.00 0.00 52.55 53.98 3kw2 s ASP 48 Cb -0.08 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 3kw2 s ASP 48 CO 0.00 0.07 0.18 0.00 0.21 0.00 0.00 175.17 175.63 3kw2 s ALA 49 N 0.27 -0.23 -0.01 5.23 0.00 -0.64 -0.60 121.76 125.78 3kw2 s ALA 49 Ca 0.25 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3kw2 s ALA 49 Cb -0.15 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3kw2 s ALA 49 CO 0.11 -0.45 -0.11 0.54 0.00 0.00 0.00 175.76 175.84 3kw2 s VAL 50 N -3.43 0.91 -0.06 0.00 0.11 -0.43 -0.45 120.40 117.05 3kw2 s VAL 50 Ca 0.02 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 3kw2 s VAL 50 Cb 0.03 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3kw2 s VAL 50 CO -0.09 0.25 1.79 -0.63 -3.33 0.00 0.00 175.10 173.09 3kw2 s ILE 51 N -0.28 3.38 -0.18 7.04 1.01 -0.44 -0.79 121.20 130.94 3kw2 s ILE 51 Ca 0.04 0.46 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 3kw2 s ILE 51 Cb -0.04 -3.32 -0.22 0.00 0.01 0.00 0.00 42.46 38.89 3kw2 s ILE 51 CO -0.00 -0.07 0.16 -0.62 0.00 0.00 0.00 174.94 174.41 3kw2 n GLU 52 N 7.43 0.69 -3.69 2.79 -0.58 0.44 -0.61 120.64 127.10 3kw2 n GLU 52 Ca 0.19 0.30 -0.11 0.00 -0.42 0.00 0.00 57.16 57.12 3kw2 n GLU 52 Cb 0.43 -1.66 -0.11 0.00 -0.57 0.00 0.00 31.44 29.52 3kw2 n GLU 52 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3kw2 s THR 53 N -2.51 -0.16 -0.24 2.62 2.01 -0.81 -4.83 115.64 111.71 3kw2 s THR 53 Ca -0.27 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 3kw2 s THR 53 Cb 0.08 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 72.07 3kw2 s THR 53 CO 0.68 0.06 -0.07 0.00 -0.69 0.00 0.00 174.62 174.60 3kw2 s ALA 54 N 1.65 2.68 0.45 7.40 0.00 -1.26 -1.33 121.76 131.35 3kw2 s ALA 54 Ca -0.07 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.53 3kw2 s ALA 54 Cb -0.10 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.38 3kw2 s ALA 54 CO -0.11 -0.77 0.55 -0.51 0.00 0.00 0.00 175.76 174.91 3kw2 s ASP 55 N 1.32 5.34 0.36 0.00 1.01 0.17 -5.00 116.67 119.87 3kw2 s ASP 55 Ca 0.01 -0.63 0.10 0.00 0.71 0.00 0.00 52.55 52.74 3kw2 s ASP 55 Cb -0.16 -0.41 0.85 0.00 1.01 0.00 0.00 42.92 44.20 3kw2 s ASP 55 CO -0.05 -0.85 1.86 0.03 0.21 0.00 0.00 175.17 176.37 3kw2 h ARG 56 N 0.68 0.64 0.00 8.23 3.08 -2.05 -3.22 114.38 121.73 3kw2 h ARG 56 Ca -0.38 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.43 3kw2 h ARG 56 Cb 1.28 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3kw2 h ARG 56 CO 0.48 0.42 -1.73 0.36 -1.07 0.00 0.00 179.97 178.44 3kw2 n LYS 57 N -4.57 1.46 -4.40 0.04 2.85 -1.26 -5.09 118.16 107.19 3kw2 n LYS 57 Ca 0.18 0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.27 3kw2 n LYS 57 Cb 0.51 -1.27 -0.10 0.00 -0.65 0.00 0.00 35.03 33.52 3kw2 n LYS 57 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3kw2 s SER 58 N -4.71 2.75 -0.08 -5.58 0.01 -1.22 -4.69 113.70 100.18 3kw2 s SER 58 Ca -0.11 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.06 3kw2 s SER 58 Cb 0.04 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.12 3kw2 s SER 58 CO 0.37 -0.25 -0.13 0.00 0.41 0.00 0.00 173.24 173.65 3kw2 s TYR 60 N 0.89 2.55 0.30 0.00 1.51 -0.44 -1.05 117.35 121.11 3kw2 s TYR 60 Ca -0.10 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3kw2 s TYR 60 Cb -0.15 -1.53 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 3kw2 s TYR 60 CO 0.01 0.16 0.02 0.14 -1.11 0.00 0.00 175.55 174.76 3kw2 s VAL 61 N -0.78 1.32 -0.04 0.71 -7.23 -0.62 -0.42 120.40 113.34 3kw2 s VAL 61 Ca 0.12 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 3kw2 s VAL 61 Cb -0.10 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 3kw2 s VAL 61 CO 0.02 -0.12 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.54 3kw2 s SER 62 N -3.46 3.47 -0.21 4.85 1.04 0.03 -4.73 113.70 114.67 3kw2 s SER 62 Ca 0.34 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 56.19 3kw2 s SER 62 Cb 0.07 -0.67 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 3kw2 s SER 62 CO 0.14 0.31 0.64 -0.69 0.98 0.00 0.00 173.24 174.62 3kw2 s VAL 63 N -0.54 5.00 -0.69 5.02 1.01 -1.26 -1.31 120.40 127.63 3kw2 s VAL 63 Ca 0.07 1.20 0.18 0.00 0.00 0.00 0.00 61.98 63.44 3kw2 s VAL 63 Cb -0.11 -3.96 -0.22 0.00 0.00 0.00 0.00 36.38 32.10 3kw2 s VAL 63 CO 0.01 0.08 0.70 0.00 0.00 0.00 0.00 175.10 175.88 3kw2 n GLY 65 N 1.43 -0.15 3.59 0.00 0.00 -1.18 -4.96 105.19 103.92 3kw2 n GLY 65 Ca 0.02 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 3kw2 n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kw2 s GLN 66 N -2.00 0.82 0.03 1.61 0.74 -1.26 -0.60 119.66 119.00 3kw2 s GLN 66 Ca 0.00 0.57 -0.13 0.00 0.05 0.00 0.00 55.36 55.85 3kw2 s GLN 66 Cb 0.00 0.40 0.02 0.00 1.10 0.00 0.00 33.01 34.52 3kw2 s GLN 66 CO 0.00 -0.18 0.29 -1.83 -0.55 0.00 0.00 175.29 173.01 3kw2 s GLU 67 N -0.37 0.76 0.04 1.67 -1.05 -0.02 -4.99 118.70 114.75 3kw2 s GLU 67 Ca -0.03 -0.46 -0.24 0.00 -0.15 0.00 0.00 54.97 54.08 3kw2 s GLU 67 Cb -0.03 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 3kw2 s GLU 67 CO 0.03 -0.24 0.74 -1.54 0.95 0.00 0.00 175.26 175.20 3kw2 s SER 68 N -1.92 7.19 0.17 0.83 1.04 -1.26 -0.51 113.70 119.24 3kw2 s SER 68 Ca -0.07 1.41 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 3kw2 s SER 68 Cb -0.02 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.58 3kw2 s SER 68 CO -0.02 0.04 0.99 0.86 0.98 0.00 0.00 173.24 176.09 3kw2 s TRP 69 N -0.14 3.81 -0.40 5.02 -0.00 0.16 -4.90 118.94 122.49 3kw2 s TRP 69 Ca 0.37 1.79 -0.19 0.00 -0.00 0.00 0.00 56.10 58.07 3kw2 s TRP 69 Cb -0.20 -3.09 0.01 0.00 -0.00 0.00 0.00 33.47 30.19 3kw2 s TRP 69 CO 0.22 0.08 0.55 -1.14 -0.00 0.00 0.00 176.95 176.66 3kw2 s GLN 70 N -0.51 3.39 0.02 5.86 2.00 -1.26 -4.94 119.66 124.21 3kw2 s GLN 70 Ca 0.45 -0.36 -0.35 0.00 -2.00 0.00 0.00 55.36 53.10 3kw2 s GLN 70 Cb -0.26 -3.89 -0.14 0.00 0.80 0.00 0.00 33.01 29.52 3kw2 s GLN 70 CO 0.32 -0.82 1.65 1.17 -0.50 0.00 0.00 175.29 177.10 3kw2 n LYS 71 N 5.91 1.86 -0.26 1.67 4.81 -1.26 -4.88 118.16 126.01 3kw2 n LYS 71 Ca -0.04 0.68 -0.04 0.00 -0.87 0.00 0.00 58.31 58.04 3kw2 n LYS 71 Cb 0.48 -2.43 0.05 0.00 0.02 0.00 0.00 35.03 33.15 3kw2 n LYS 71 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3kw2 n PRO 72 N 4.46 1.42 -3.98 1.64 -0.04 -1.26 -4.76 135.00 132.48 3kw2 n PRO 72 Ca 0.20 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.87 3kw2 n PRO 72 Cb 0.25 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3kw2 n PRO 72 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kw2 s TRP 73 N -0.90 0.44 0.10 0.54 -2.14 -1.26 -5.11 118.94 110.62 3kw2 s TRP 73 Ca 0.13 -0.79 -0.02 0.00 2.66 0.00 0.00 56.10 58.09 3kw2 s TRP 73 Cb 0.11 -0.02 -0.05 0.00 -3.10 0.00 0.00 33.47 30.41 3kw2 s TRP 73 CO 0.03 -0.79 0.28 1.03 -2.66 0.00 0.00 176.95 174.84 3kw2 s ARG 74 N -4.00 3.51 0.71 3.25 0.52 -1.26 -5.03 118.95 116.65 3kw2 s ARG 74 Ca 0.20 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 3kw2 s ARG 74 Cb 0.02 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.54 3kw2 s ARG 74 CO 0.03 0.54 0.00 -0.25 0.02 0.00 0.00 175.30 175.65 3kw2 n ASP 75 N 0.11 -2.70 -4.40 0.23 8.00 -1.26 -4.82 116.55 111.72 3kw2 n ASP 75 Ca -0.04 0.30 -0.34 0.00 0.71 0.00 0.00 54.79 55.42 3kw2 n ASP 75 Cb 0.52 -0.85 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 3kw2 n ASP 75 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kw2 s ARG 76 N -0.76 3.50 -0.23 -1.24 3.52 -1.26 -5.00 118.95 117.47 3kw2 s ARG 76 Ca 0.00 -0.60 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 3kw2 s ARG 76 Cb 0.00 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 3kw2 s ARG 76 CO 0.00 0.07 -0.02 0.42 -0.81 0.00 0.00 175.30 174.96 3kw2 s ILE 77 N 0.79 3.55 -0.12 4.11 1.01 -1.26 -0.60 121.20 128.68 3kw2 s ILE 77 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3kw2 s ILE 77 Cb -0.15 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 3kw2 s ILE 77 CO 0.02 0.38 -0.13 -0.89 0.00 0.00 0.00 174.94 174.31 3kw2 s THR 78 N 1.50 3.05 -0.20 2.92 2.01 0.30 -1.62 115.64 123.59 3kw2 s THR 78 Ca 0.05 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 3kw2 s THR 78 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3kw2 s THR 78 CO -0.02 0.53 0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 3kw2 s ILE 79 N 0.24 4.17 -0.24 1.82 -1.09 -0.47 -1.73 121.20 123.91 3kw2 s ILE 79 Ca -0.09 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 3kw2 s ILE 79 Cb -0.15 -2.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.87 3kw2 s ILE 79 CO 0.05 0.42 -0.10 0.00 -1.23 0.00 0.00 174.94 174.08 3kw2 s ALA 80 N 0.97 2.58 0.02 9.38 0.00 -0.15 0.01 121.76 134.58 3kw2 s ALA 80 Ca 0.02 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 3kw2 s ALA 80 Cb -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 3kw2 s ALA 80 CO 0.02 -0.88 0.16 -1.50 0.00 0.00 0.00 175.76 173.56 3kw2 s ILE 81 N 1.23 0.10 0.35 0.00 2.07 0.13 -0.69 121.20 124.39 3kw2 s ILE 81 Ca -0.02 -0.83 -0.28 0.00 -1.41 0.00 0.00 60.65 58.11 3kw2 s ILE 81 Cb -0.17 -0.69 -0.10 0.00 0.13 0.00 0.00 42.46 41.63 3kw2 s ILE 81 CO -0.06 -0.46 1.28 0.00 -1.91 0.00 0.00 174.94 173.79 3kw2 s ALA 82 N -2.02 3.40 0.69 1.50 0.00 -0.91 -1.36 121.76 123.06 3kw2 s ALA 82 Ca -0.10 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 3kw2 s ALA 82 Cb -0.04 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3kw2 s ALA 82 CO -0.01 -0.65 1.11 -1.25 0.00 0.00 0.00 175.76 174.96 3kw2 s PRO 83 N -1.93 2.66 0.40 0.00 0.04 -1.26 -4.90 135.00 130.02 3kw2 s PRO 83 Ca 0.51 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 3kw2 s PRO 83 Cb -0.38 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3kw2 s PRO 83 CO 0.50 -1.35 0.71 0.95 0.04 0.00 0.00 177.00 177.85 3kw2 s THR 84 N -2.45 4.89 0.12 1.26 -4.23 -1.26 -4.62 115.64 109.36 3kw2 s THR 84 Ca 0.66 0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 61.28 3kw2 s THR 84 Cb -0.20 -3.78 -0.06 0.00 1.34 0.00 0.00 72.50 69.80 3kw2 s THR 84 CO 0.45 -0.58 1.74 0.50 -0.54 0.00 0.00 174.62 176.19 3kw2 h LYS 85 N 1.00 0.12 -5.61 3.99 1.63 -2.01 -3.39 116.57 112.31 3kw2 h LYS 85 Ca -0.47 -0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 58.72 3kw2 h LYS 85 Cb 1.19 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.70 3kw2 h LYS 85 CO 0.63 0.08 0.18 -0.65 -3.45 0.00 0.00 179.45 176.25 3kw2 s GLN 86 N -6.18 4.16 0.47 1.90 -0.21 -1.26 -4.97 119.66 113.57 3kw2 s GLN 86 Ca -0.13 0.63 0.20 0.00 0.02 0.00 0.00 55.36 56.08 3kw2 s GLN 86 Cb 0.09 -3.62 1.15 0.00 1.00 0.00 0.00 33.01 31.63 3kw2 s GLN 86 CO 0.69 -0.35 1.99 0.66 -2.12 0.00 0.00 175.29 176.16 3kw2 h SER 87 N 7.69 0.00 -0.74 5.90 4.64 -2.02 -2.65 113.55 126.37 3kw2 h SER 87 Ca -0.28 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.17 3kw2 h SER 87 Cb 1.13 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.13 3kw2 h SER 87 CO 0.78 0.19 0.31 -0.33 -0.87 0.00 0.00 176.83 176.91 3kw2 h GLU 88 N 0.00 0.46 -0.06 4.77 3.07 -1.95 -1.72 114.58 119.15 3kw2 h GLU 88 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kw2 h GLU 88 Cb 0.41 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3kw2 h GLU 88 CO 0.03 0.30 0.00 0.54 -1.40 0.00 0.00 179.01 178.48 3kw2 n ARG 89 N -4.98 0.06 0.00 2.33 1.74 -1.00 -0.43 116.66 114.39 3kw2 n ARG 89 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3kw2 n ARG 89 Cb 0.38 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3kw2 n ARG 89 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kw2 n GLU 91 N 0.35 0.00 0.00 5.56 1.02 -0.65 -4.67 120.64 122.26 3kw2 n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kw2 n GLU 91 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3kw2 n GLU 91 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3kw2 n TRP 92 N 0.00 0.00 0.00 -0.32 -0.00 0.43 -2.04 117.44 115.51 3kw2 n TRP 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3kw2 n TRP 92 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.31 31.27 3kw2 n TRP 92 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 3kw2 n LEU 94 N 0.69 0.00 -0.22 5.87 7.94 -1.26 -2.02 117.00 128.00 3kw2 n LEU 94 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 3kw2 n LEU 94 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 3kw2 n LEU 94 CO 0.00 0.00 0.95 -0.08 -1.11 0.00 0.00 177.39 177.15 3kw2 h GLU 95 N 0.00 0.31 -0.66 1.96 4.81 -1.72 -1.55 114.58 117.72 3kw2 h GLU 95 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3kw2 h GLU 95 Cb 0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3kw2 h GLU 95 CO 0.00 0.21 0.14 0.87 -0.73 0.00 0.00 179.01 179.50 3kw2 h LYS 96 N 0.32 1.06 -0.74 1.92 6.56 -1.69 -1.71 116.57 122.29 3kw2 h LYS 96 Ca 0.34 -0.26 -0.06 0.00 -1.06 0.00 0.00 60.65 59.62 3kw2 h LYS 96 Cb 0.51 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 3kw2 h LYS 96 CO -0.40 0.95 0.24 -0.07 -2.06 0.00 0.00 179.45 178.12 3kw2 h LEU 97 N 1.01 1.07 -0.77 2.94 3.38 -1.75 -0.66 115.31 120.52 3kw2 h LEU 97 Ca 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kw2 h LEU 97 Cb 0.38 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3kw2 h LEU 97 CO 0.00 0.99 0.37 0.58 0.09 0.00 0.00 178.44 180.47 3kw2 h VAL 98 N 1.10 1.25 -0.06 1.22 2.07 -1.06 0.20 116.25 120.96 3kw2 h VAL 98 Ca 0.24 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3kw2 h VAL 98 Cb 0.29 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3kw2 h VAL 98 CO -0.01 0.29 0.03 -0.33 0.02 0.00 0.00 177.57 177.57 3kw2 h GLU 99 N 1.09 0.09 -0.28 1.57 5.08 -0.81 -3.19 114.58 118.13 3kw2 h GLU 99 Ca 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3kw2 h GLU 99 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kw2 h GLU 99 CO -0.03 0.17 0.10 0.82 -1.00 0.00 0.00 179.01 179.07 3kw2 h ILE 100 N -0.01 1.19 0.00 3.13 2.04 -0.99 -3.48 117.51 119.38 3kw2 h ILE 100 Ca 0.02 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3kw2 h ILE 100 Cb 0.11 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kw2 h ILE 100 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3kw2 n GLY 101 N -0.67 3.14 3.17 5.37 0.00 0.70 -5.02 105.19 111.87 3kw2 n GLY 101 Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 3kw2 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw2 s VAL 102 N 0.00 0.04 -0.11 1.61 0.11 -1.19 -4.90 120.40 115.97 3kw2 s VAL 102 Ca 0.00 -0.35 0.18 0.00 -2.93 0.00 0.00 61.98 58.89 3kw2 s VAL 102 Cb 0.00 -0.47 -0.27 0.00 -1.53 0.00 0.00 36.38 34.11 3kw2 s VAL 102 CO 0.00 -0.19 0.25 0.47 -3.33 0.00 0.00 175.10 172.30 3kw2 n ASP 103 N 1.97 0.42 -3.68 3.54 8.00 -0.64 -4.31 116.55 121.86 3kw2 n ASP 103 Ca -0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3kw2 n ASP 103 Cb 0.57 1.43 -0.08 0.00 -0.02 0.00 0.00 41.12 43.01 3kw2 n ASP 103 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kw2 s GLU 104 N -2.91 0.66 -0.11 -1.24 2.12 -1.02 -1.68 118.70 114.53 3kw2 s GLU 104 Ca -0.08 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.07 3kw2 s GLU 104 Cb 0.09 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.81 3kw2 s GLU 104 CO 0.80 -0.09 -0.10 0.08 -0.54 0.00 0.00 175.26 175.41 3kw2 s VAL 105 N 0.41 1.15 -0.22 3.70 1.01 -0.00 -1.36 120.40 125.08 3kw2 s VAL 105 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kw2 s VAL 105 Cb -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3kw2 s VAL 105 CO -0.01 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.70 3kw2 s VAL 106 N 1.41 2.94 -0.19 2.92 1.01 0.10 -1.71 120.40 126.88 3kw2 s VAL 106 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 3kw2 s VAL 106 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3kw2 s VAL 106 CO -0.06 0.37 0.72 -0.36 0.00 0.00 0.00 175.10 175.78 3kw2 s PHE 107 N 1.39 3.38 0.42 5.22 0.08 0.33 0.20 117.98 129.01 3kw2 s PHE 107 Ca 0.04 1.06 0.08 0.00 0.12 0.00 0.00 56.93 58.22 3kw2 s PHE 107 Cb -0.15 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.40 3kw2 s PHE 107 CO -0.06 -0.23 0.48 0.96 -0.10 0.00 0.00 175.22 176.28 3kw2 s ILE 108 N 2.12 2.80 -0.07 0.64 -4.36 -0.47 -1.56 121.20 120.30 3kw2 s ILE 108 Ca 0.33 -1.17 0.05 0.00 -0.26 0.00 0.00 60.65 59.59 3kw2 s ILE 108 Cb -0.16 -2.97 -0.01 0.00 1.25 0.00 0.00 42.46 40.57 3kw2 s ILE 108 CO 0.11 0.00 -0.23 -1.61 0.24 0.00 0.00 174.94 173.45 3kw2 s GLU 109 N -4.25 2.76 0.26 0.37 2.02 0.69 -4.38 118.70 116.17 3kw2 s GLU 109 Ca 0.52 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.66 3kw2 s GLU 109 Cb -0.07 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3kw2 s GLU 109 CO 0.31 0.33 0.13 -1.54 0.02 0.00 0.00 175.26 174.50 3kw2 s SER 110 N -0.02 1.07 0.21 -0.19 1.04 -1.26 -0.53 113.70 114.03 3kw2 s SER 110 Ca -0.07 -1.45 -0.09 0.00 0.48 0.00 0.00 55.95 54.82 3kw2 s SER 110 Cb -0.15 0.29 0.31 0.00 0.10 0.00 0.00 66.02 66.57 3kw2 s SER 110 CO 0.05 -0.81 1.72 -0.08 0.98 0.00 0.00 173.24 175.10 3kw2 h GLU 111 N 2.38 0.32 -0.66 4.02 4.81 -2.00 -1.87 114.58 121.58 3kw2 h GLU 111 Ca -0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3kw2 h GLU 111 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3kw2 h GLU 111 CO 0.56 0.21 0.00 0.72 -0.73 0.00 0.00 179.01 179.77 3kw2 n HIS 112 N -5.07 1.59 -2.90 0.92 8.25 -1.26 -4.99 115.22 111.76 3kw2 n HIS 112 Ca 0.10 -0.62 -0.25 0.00 -0.26 0.00 0.00 57.72 56.68 3kw2 n HIS 112 Cb 0.32 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3kw2 n HIS 112 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kw2 s SER 113 N -0.89 6.10 0.35 0.41 1.04 -0.71 -4.56 113.70 115.45 3kw2 s SER 113 Ca 0.53 0.63 -0.28 0.00 0.48 0.00 0.00 55.95 57.30 3kw2 s SER 113 Cb 0.34 -1.97 -0.12 0.00 0.10 0.00 0.00 66.02 64.37 3kw2 s SER 113 CO 0.24 -0.58 1.35 -0.62 0.98 0.00 0.00 173.24 174.62 3kw2 n GLU 114 N -2.12 2.29 -0.02 4.02 -0.58 -1.26 -4.79 120.64 118.17 3kw2 n GLU 114 Ca -0.00 0.80 0.05 0.00 -0.42 0.00 0.00 57.16 57.59 3kw2 n GLU 114 Cb 0.56 -2.43 0.05 0.00 -0.57 0.00 0.00 31.44 29.06 3kw2 n GLU 114 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kw2 n ARG 115 N 0.59 0.69 -1.94 3.49 5.12 -1.26 -4.83 116.66 118.53 3kw2 n ARG 115 Ca 0.04 -1.20 -0.35 0.00 -1.93 0.00 0.00 57.85 54.41 3kw2 n ARG 115 Cb 0.37 -1.19 0.04 0.00 -1.16 0.00 0.00 32.46 30.52 3kw2 n ARG 115 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3kw2 s ARG 116 N -0.82 2.89 0.22 5.56 1.70 -1.26 -4.94 118.95 122.31 3kw2 s ARG 116 Ca 0.12 1.73 -0.30 0.00 -0.47 0.00 0.00 55.73 56.82 3kw2 s ARG 116 Cb 0.08 -1.93 -0.09 0.00 -0.57 0.00 0.00 34.95 32.44 3kw2 s ARG 116 CO 0.12 -1.25 1.27 1.03 -1.08 0.00 0.00 175.30 175.40 3kw2 s ARG 117 N -3.50 4.42 -0.15 3.89 1.81 -1.26 -4.94 118.95 119.22 3kw2 s ARG 117 Ca 0.75 2.03 -0.07 0.00 -1.72 0.00 0.00 55.73 56.72 3kw2 s ARG 117 Cb -0.28 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 3kw2 s ARG 117 CO 0.35 -0.18 0.07 0.42 -0.68 0.00 0.00 175.30 175.28 3kw2 s ILE 118 N -0.21 4.90 -0.32 1.52 -1.09 -1.26 -5.07 121.20 119.67 3kw2 s ILE 118 Ca 0.54 -0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.66 3kw2 s ILE 118 Cb -0.36 -3.17 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 3kw2 s ILE 118 CO 0.40 0.52 1.14 -0.54 -1.23 0.00 0.00 174.94 175.23 3kw2 s LYS 119 N -0.14 4.02 0.29 2.79 -0.14 -1.26 -4.87 119.74 120.43 3kw2 s LYS 119 Ca 0.08 1.11 0.01 0.00 -1.36 0.00 0.00 55.97 55.80 3kw2 s LYS 119 Cb -0.12 -3.78 0.43 0.00 -1.68 0.00 0.00 37.83 32.68 3kw2 s LYS 119 CO 0.01 -0.97 1.78 0.00 -0.76 0.00 0.00 175.35 175.41 3kw2 h ALA 120 N 8.43 1.18 -0.66 5.17 0.00 -1.98 -3.29 119.26 128.11 3kw2 h ALA 120 Ca -0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3kw2 h ALA 120 Cb 1.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3kw2 h ALA 120 CO 1.04 0.53 0.14 1.49 0.00 0.00 0.00 179.25 182.44 3kw2 h GLU 121 N 0.60 1.06 -0.33 0.00 4.57 -1.99 -0.23 114.58 118.26 3kw2 h GLU 121 Ca 0.12 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 3kw2 h GLU 121 Cb 0.46 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3kw2 h GLU 121 CO 0.02 0.95 -0.15 -0.09 -1.18 0.00 0.00 179.01 178.56 3kw2 h ARG 122 N 1.00 0.58 -0.29 1.92 2.43 -2.00 -1.67 114.38 116.35 3kw2 h ARG 122 Ca 0.21 -0.19 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 3kw2 h ARG 122 Cb 0.39 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3kw2 h ARG 122 CO 0.01 0.72 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.68 3kw2 h LEU 123 N 0.53 0.88 -1.05 3.80 3.38 -1.50 -1.97 115.31 119.37 3kw2 h LEU 123 Ca 0.09 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3kw2 h LEU 123 Cb 0.57 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3kw2 h LEU 123 CO 0.04 1.22 0.62 -0.33 0.09 0.00 0.00 178.44 180.08 3kw2 h GLU 124 N 0.56 1.26 -0.32 1.13 5.08 -0.87 -0.80 114.58 120.62 3kw2 h GLU 124 Ca 0.03 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3kw2 h GLU 124 Cb 1.04 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3kw2 h GLU 124 CO 0.10 0.84 -0.02 0.00 -1.00 0.00 0.00 179.01 178.93 3kw2 h ARG 125 N 1.29 0.50 -0.21 2.33 3.08 -1.13 -0.29 114.38 119.95 3kw2 h ARG 125 Ca 0.35 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 3kw2 h ARG 125 Cb -0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3kw2 h ARG 125 CO -0.07 0.54 -0.34 0.82 -1.07 0.00 0.00 179.97 179.84 3kw2 h ILE 126 N 0.47 1.32 -0.50 2.04 2.04 -0.74 0.29 117.51 122.44 3kw2 h ILE 126 Ca 0.10 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 3kw2 h ILE 126 Cb 0.34 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3kw2 h ILE 126 CO 0.01 0.48 0.28 0.00 0.00 0.00 0.00 178.15 178.92 3kw2 h ALA 127 N 0.62 0.65 -0.52 1.87 0.00 -0.88 -0.28 119.26 120.72 3kw2 h ALA 127 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kw2 h ALA 127 Cb 0.93 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3kw2 h ALA 127 CO 0.08 0.16 0.26 0.82 0.00 0.00 0.00 179.25 180.57 3kw2 h ILE 128 N 0.67 0.95 -0.46 0.00 2.04 -0.98 -2.77 117.51 116.95 3kw2 h ILE 128 Ca 0.18 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kw2 h ILE 128 Cb 0.05 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3kw2 h ILE 128 CO -0.03 0.09 0.28 -1.28 0.00 0.00 0.00 178.15 177.21 3kw2 h SER 129 N 0.50 0.56 0.00 1.72 0.87 -0.53 -1.98 113.55 114.68 3kw2 h SER 129 Ca 0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3kw2 h SER 129 Cb 0.15 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3kw2 h SER 129 CO -0.17 0.45 0.00 0.00 -0.53 0.00 0.00 176.83 176.58 3kw2 n ALA 130 N -2.25 2.24 0.00 6.23 0.00 -0.15 -1.44 120.51 125.13 3kw2 n ALA 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kw2 n ALA 130 Cb 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3kw2 n ALA 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kw2 n LYS 132 N 1.44 0.00 -0.31 0.00 5.02 -0.75 -1.23 118.16 122.33 3kw2 n LYS 132 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3kw2 n LYS 132 Cb 0.19 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.38 3kw2 n LYS 132 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3kw2 h GLN 133 N 0.00 0.86 -0.39 1.97 -0.00 -1.51 -2.02 115.11 114.01 3kw2 h GLN 133 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3kw2 h GLN 133 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.29 3kw2 h GLN 133 CO 0.00 0.57 0.00 -1.13 0.00 0.00 0.00 178.83 178.27 3kw2 n SER 134 N -4.68 2.61 -2.99 -0.69 3.41 -0.37 -4.96 113.62 105.95 3kw2 n SER 134 Ca 0.15 -1.92 -0.14 0.00 -0.26 0.00 0.00 58.87 56.69 3kw2 n SER 134 Cb 0.27 -0.26 0.07 0.00 -0.26 0.00 0.00 64.21 64.03 3kw2 n SER 134 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kw2 n LEU 135 N 0.93 -3.74 -4.78 1.04 4.77 -0.76 -5.03 117.00 109.43 3kw2 n LEU 135 Ca 0.17 -0.51 -0.23 0.00 -0.03 0.00 0.00 56.01 55.41 3kw2 n LEU 135 Cb 0.44 -2.66 -0.06 0.00 -2.33 0.00 0.00 43.42 38.81 3kw2 n LEU 135 CO 0.13 0.30 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.82 3kw2 s LYS 136 N -5.07 2.36 0.00 3.23 1.02 -1.26 -5.03 119.74 115.00 3kw2 s LYS 136 Ca 0.02 -1.66 0.04 0.00 0.02 0.00 0.00 55.97 54.39 3kw2 s LYS 136 Cb -0.00 -2.16 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3kw2 s LYS 136 CO 0.60 -0.06 1.02 0.00 -0.92 0.00 0.00 175.35 175.99 3kw2 n ALA 137 N -1.30 2.13 -2.37 5.17 0.00 -1.26 -4.62 120.51 118.27 3kw2 n ALA 137 Ca -0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 3kw2 n ALA 137 Cb 0.63 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 3kw2 n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kw2 s SER 138 N -0.89 0.25 0.08 0.00 0.15 -1.26 -0.77 113.70 111.25 3kw2 s SER 138 Ca 0.08 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 55.83 3kw2 s SER 138 Cb 0.04 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 3kw2 s SER 138 CO 0.06 -0.73 -0.08 0.72 1.20 0.00 0.00 173.24 174.40 3kw2 s PHE 139 N -3.95 0.91 0.71 3.44 -0.12 -1.26 -4.99 117.98 112.72 3kw2 s PHE 139 Ca 0.13 -0.69 -0.11 0.00 -0.05 0.00 0.00 56.93 56.21 3kw2 s PHE 139 Cb 0.06 -0.52 0.02 0.00 -0.63 0.00 0.00 43.02 41.95 3kw2 s PHE 139 CO -0.05 -0.07 1.06 -1.25 -0.05 0.00 0.00 175.22 174.87 3kw2 s PRO 140 N -2.79 2.83 0.16 1.99 0.04 -1.26 -4.97 135.00 131.01 3kw2 s PRO 140 Ca 0.03 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 3kw2 s PRO 140 Cb -0.02 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3kw2 s PRO 140 CO -0.01 -1.16 1.50 0.08 0.04 0.00 0.00 177.00 177.45 3kw2 s VAL 141 N -3.06 2.81 -0.12 -0.36 1.01 -0.67 -4.88 120.40 115.13 3kw2 s VAL 141 Ca 0.58 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 3kw2 s VAL 141 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3kw2 s VAL 141 CO 0.55 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 175.00 3kw2 s ILE 142 N 0.97 3.63 0.10 2.22 -1.09 -1.26 -0.82 121.20 124.95 3kw2 s ILE 142 Ca 0.67 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.69 3kw2 s ILE 142 Cb -0.42 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3kw2 s ILE 142 CO 0.33 0.54 -0.18 -0.13 -1.23 0.00 0.00 174.94 174.26 3kw2 s ARG 143 N -0.05 1.05 0.03 2.79 0.52 -0.69 -4.99 118.95 117.60 3kw2 s ARG 143 Ca 0.00 -1.14 0.02 0.00 -0.52 0.00 0.00 55.73 54.09 3kw2 s ARG 143 Cb -0.13 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.15 3kw2 s ARG 143 CO 0.03 0.26 -0.07 0.14 0.02 0.00 0.00 175.30 175.68 3kw2 s VAL 144 N -1.41 0.51 -1.41 3.52 -7.23 -1.26 -0.51 120.40 112.60 3kw2 s VAL 144 Ca 0.05 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.31 3kw2 s VAL 144 Cb -0.09 -0.53 0.04 0.00 0.56 0.00 0.00 36.38 36.35 3kw2 s VAL 144 CO 0.04 -0.22 1.10 0.59 -0.31 0.00 0.00 175.10 176.30 3kw2 n ASN 145 N 1.93 -5.54 -4.64 4.85 4.13 -0.71 -4.93 115.26 110.35 3kw2 n ASN 145 Ca -0.20 -0.63 -0.40 0.00 1.68 0.00 0.00 54.58 55.03 3kw2 n ASN 145 Cb 0.56 -4.61 -0.07 0.00 -1.54 0.00 0.00 39.78 34.12 3kw2 n ASN 145 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kw2 s ILE 146 N -3.32 5.07 0.47 2.41 -1.09 -0.60 -4.72 121.20 119.41 3kw2 s ILE 146 Ca 0.58 0.99 -0.25 0.00 -2.23 0.00 0.00 60.65 59.74 3kw2 s ILE 146 Cb -0.27 -3.87 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 3kw2 s ILE 146 CO 0.77 0.12 1.39 -2.65 -1.23 0.00 0.00 174.94 173.33 3kw2 n PRO 147 N 5.17 2.08 -0.17 2.79 -0.02 -1.26 -0.22 135.00 143.36 3kw2 n PRO 147 Ca -0.03 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 3kw2 n PRO 147 Cb 0.50 -2.57 0.42 0.00 -0.02 0.00 0.00 33.50 31.83 3kw2 n PRO 147 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kw2 h ILE 148 N 2.08 0.92 0.00 4.25 2.10 -1.19 -1.93 117.51 123.74 3kw2 h ILE 148 Ca -0.50 -0.20 -0.07 0.00 1.08 0.00 0.00 64.86 65.16 3kw2 h ILE 148 Cb 1.28 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.27 3kw2 h ILE 148 CO 0.60 0.11 -0.33 -0.61 -1.08 0.00 0.00 178.15 176.84 3kw2 h GLN 149 N 0.60 0.00 -0.32 2.19 5.75 -1.89 -0.28 115.11 121.15 3kw2 h GLN 149 Ca 0.33 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.77 3kw2 h GLN 149 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3kw2 h GLN 149 CO -0.12 0.33 -0.04 1.15 -2.65 0.00 0.00 178.83 177.50 3kw2 h THR 150 N 0.00 1.27 -0.19 2.39 2.02 -1.71 -0.74 112.91 115.95 3kw2 h THR 150 Ca -0.00 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.13 3kw2 h THR 150 Cb 0.79 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3kw2 h THR 150 CO 0.04 0.34 0.10 0.58 0.37 0.00 0.00 175.52 176.95 3kw2 h VAL 151 N 0.39 1.01 -0.13 3.16 2.07 -1.15 0.13 116.25 121.73 3kw2 h VAL 151 Ca 0.09 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3kw2 h VAL 151 Cb 0.51 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3kw2 h VAL 151 CO 0.02 0.04 0.03 0.40 0.02 0.00 0.00 177.57 178.08 3kw2 h ILE 152 N 0.21 0.95 -0.05 4.57 2.04 -1.03 -2.38 117.51 121.82 3kw2 h ILE 152 Ca 0.07 -0.03 -0.20 0.00 1.00 0.00 0.00 64.86 65.70 3kw2 h ILE 152 Cb 0.00 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3kw2 h ILE 152 CO -0.04 0.02 -0.75 0.00 0.00 0.00 0.00 178.15 177.37 3kw2 h ALA 153 N 1.09 0.16 -0.01 1.87 0.00 -1.10 -3.38 119.26 117.88 3kw2 h ALA 153 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kw2 h ALA 153 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kw2 h ALA 153 CO -0.07 0.52 -0.47 -0.25 0.00 0.00 0.00 179.25 178.98 3kw2 n ASP 154 N -4.06 1.86 -4.69 0.00 8.00 0.03 -4.92 116.55 112.77 3kw2 n ASP 154 Ca -0.10 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 3kw2 n ASP 154 Cb 0.74 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 42.32 3kw2 n ASP 154 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kw2 n THR 155 N -0.14 0.44 -1.64 -3.53 -1.04 -0.90 -4.87 114.28 102.61 3kw2 n THR 155 Ca 0.08 -0.08 -0.61 0.00 -2.04 0.00 0.00 64.05 61.40 3kw2 n THR 155 Cb 0.42 -2.16 -0.08 0.00 -1.82 0.00 0.00 70.33 66.69 3kw2 n THR 155 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kw2 n PRO 156 N 5.98 0.32 0.03 -2.82 -0.02 -1.26 -4.82 135.00 132.40 3kw2 n PRO 156 Ca 0.18 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3kw2 n PRO 156 Cb 0.38 -1.66 0.45 0.00 -0.02 0.00 0.00 33.50 32.65 3kw2 n PRO 156 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kw2 n LYS 157 N 3.17 0.05 0.24 -0.52 5.02 -1.26 -2.39 118.16 122.46 3kw2 n LYS 157 Ca 0.25 0.17 0.16 0.00 -2.02 0.00 0.00 58.31 56.87 3kw2 n LYS 157 Cb 0.05 -1.57 0.70 0.00 -0.02 0.00 0.00 35.03 34.18 3kw2 n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kw2 h ALA 158 N 2.66 1.00 -2.81 7.82 0.00 -1.98 -3.44 119.26 122.51 3kw2 h ALA 158 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3kw2 h ALA 158 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kw2 h ALA 158 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.74 3kw2 s ALA 159 N -3.62 3.41 0.08 0.00 0.00 -1.01 -4.60 121.76 116.01 3kw2 s ALA 159 Ca 0.01 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.58 3kw2 s ALA 159 Cb 0.09 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 3kw2 s ALA 159 CO 0.46 -0.20 1.46 0.08 0.00 0.00 0.00 175.76 177.56 3kw2 s VAL 160 N -1.17 3.31 -0.23 0.00 1.01 -0.62 -4.93 120.40 117.78 3kw2 s VAL 160 Ca 0.45 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.29 3kw2 s VAL 160 Cb -0.32 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3kw2 s VAL 160 CO 0.42 0.03 -0.07 -0.13 0.00 0.00 0.00 175.10 175.35 3kw2 s ARG 161 N 1.78 1.74 -0.03 2.72 0.52 -1.26 -0.99 118.95 123.43 3kw2 s ARG 161 Ca 0.67 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3kw2 s ARG 161 Cb -0.36 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3kw2 s ARG 161 CO 0.30 -0.56 -0.00 -0.51 0.02 0.00 0.00 175.30 174.55 3kw2 s LEU 162 N 1.38 3.50 -0.14 2.53 1.43 0.52 -0.56 118.68 127.35 3kw2 s LEU 162 Ca -0.05 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3kw2 s LEU 162 Cb -0.18 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3kw2 s LEU 162 CO -0.07 0.32 -0.17 -0.51 0.23 0.00 0.00 176.35 176.15 3kw2 s ILE 163 N -1.00 1.72 -0.08 -0.59 2.07 0.13 -1.20 121.20 122.24 3kw2 s ILE 163 Ca 0.17 -0.75 -0.14 0.00 -1.41 0.00 0.00 60.65 58.51 3kw2 s ILE 163 Cb -0.11 -1.57 -0.05 0.00 0.13 0.00 0.00 42.46 40.86 3kw2 s ILE 163 CO 0.07 0.48 0.36 0.00 -1.91 0.00 0.00 174.94 173.95 3kw2 s ALA 164 N 1.17 3.64 0.07 1.50 0.00 -0.40 -1.00 121.76 126.74 3kw2 s ALA 164 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 3kw2 s ALA 164 Cb -0.14 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.60 3kw2 s ALA 164 CO -0.06 0.29 0.32 1.52 0.00 0.00 0.00 175.76 177.82 3kw2 s TYR 165 N -0.29 -0.11 0.05 0.00 1.13 -1.17 -4.34 117.35 112.62 3kw2 s TYR 165 Ca 0.21 -0.10 0.00 0.00 -1.41 0.00 0.00 57.07 55.77 3kw2 s TYR 165 Cb -0.15 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3kw2 s TYR 165 CO 0.09 -0.56 0.00 0.28 -2.51 0.00 0.00 175.55 172.85 3kw2 n VAL 166 N 0.32 0.26 -1.62 -3.49 0.31 -1.26 -4.74 118.33 108.11 3kw2 n VAL 166 Ca -0.18 0.09 -0.49 0.00 -0.01 0.00 0.00 64.34 63.75 3kw2 n VAL 166 Cb 0.61 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 3kw2 n VAL 166 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3kw2 n ASP 167 N -3.05 2.11 -0.27 4.52 9.92 -1.26 -4.86 116.55 123.66 3kw2 n ASP 167 Ca 0.00 1.11 0.08 0.00 -0.53 0.00 0.00 54.79 55.45 3kw2 n ASP 167 Cb 0.24 -1.28 0.23 0.00 -0.64 0.00 0.00 41.12 39.67 3kw2 n ASP 167 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3kw2 h GLU 168 N 4.82 0.37 -0.99 -1.24 4.57 -2.03 -2.29 114.58 117.80 3kw2 h GLU 168 Ca -0.46 -0.02 0.21 0.00 -1.18 0.00 0.00 59.36 57.91 3kw2 h GLU 168 Cb 1.31 -0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.72 3kw2 h GLU 168 CO 0.80 0.25 0.62 0.00 -1.18 0.00 0.00 179.01 179.50 3kw2 h ALA 169 N 1.62 1.91 -0.35 2.92 0.00 -2.03 -3.35 119.26 119.97 3kw2 h ALA 169 Ca 0.47 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.22 3kw2 h ALA 169 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3kw2 h ALA 169 CO -0.48 -0.28 0.73 0.08 0.00 0.00 0.00 179.25 179.30 3kw2 s VAL 170 N -5.68 3.37 -0.19 0.00 1.01 -0.86 -5.05 120.40 113.00 3kw2 s VAL 170 Ca -0.10 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3kw2 s VAL 170 Cb 0.25 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3kw2 s VAL 170 CO 0.80 -0.68 1.10 -0.60 0.00 0.00 0.00 175.10 175.71 3kw2 s ARG 171 N 7.15 4.28 0.24 2.72 6.06 -1.26 -4.99 118.95 133.15 3kw2 s ARG 171 Ca 0.73 1.45 0.01 0.00 -2.50 0.00 0.00 55.73 55.42 3kw2 s ARG 171 Cb -0.02 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.30 3kw2 s ARG 171 CO 0.15 -0.59 0.41 0.20 -2.50 0.00 0.00 175.30 172.96 3kw2 s GLY 177 N 1.38 1.58 -0.05 8.12 0.00 -1.26 -5.05 107.32 112.04 3kw2 s GLY 177 Ca 0.48 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 3kw2 s GLY 177 CO 0.11 -0.90 -0.07 0.54 0.00 0.00 0.00 173.10 172.77 3kw2 n ARG 178 N -1.03 0.15 -0.15 2.90 1.74 -1.26 -4.85 116.66 114.16 3kw2 n ARG 178 Ca -0.06 0.26 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 3kw2 n ARG 178 Cb 0.55 -0.97 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 3kw2 n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kw2 n GLY 179 N 1.64 -1.61 3.66 -0.13 0.00 -1.26 -4.31 105.19 103.17 3kw2 n GLY 179 Ca -0.03 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 3kw2 n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kw2 s TYR 180 N -1.54 2.51 0.53 1.61 2.02 -1.26 -0.87 117.35 120.35 3kw2 s TYR 180 Ca 0.00 -0.66 0.19 0.00 -0.37 0.00 0.00 57.07 56.23 3kw2 s TYR 180 Cb 0.00 -1.82 1.37 0.00 -0.40 0.00 0.00 41.96 41.11 3kw2 s TYR 180 CO 0.00 0.36 2.17 -1.35 -1.57 0.00 0.00 175.55 175.16 3kw2 h PRO 181 N 1.65 0.00 0.00 -1.71 0.11 -1.96 -1.47 132.00 128.63 3kw2 h PRO 181 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kw2 h PRO 181 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kw2 h PRO 181 CO 0.78 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 3kw2 h SER 182 N 0.00 0.00 1.56 -2.05 4.64 -1.95 0.04 113.55 115.79 3kw2 h SER 182 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kw2 h SER 182 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kw2 h SER 182 CO 0.00 0.00 -0.11 0.44 -0.87 0.00 0.00 176.83 176.29 3kw2 h ASP 183 N 0.00 0.00 0.00 4.97 3.32 -1.67 -3.39 116.42 119.65 3kw2 h ASP 183 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kw2 h ASP 183 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3kw2 h ASP 183 CO 0.00 0.01 -0.53 0.49 -1.72 0.00 0.00 179.24 177.49 3kw2 n PHE 184 N -2.53 0.00 -2.82 4.55 3.72 -0.80 -5.05 117.46 114.53 3kw2 n PHE 184 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 3kw2 n PHE 184 Cb 0.47 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 3kw2 n PHE 184 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3kw2 s TYR 185 N -1.40 3.52 -0.09 1.38 5.04 -0.06 -4.94 117.35 120.80 3kw2 s TYR 185 Ca 0.00 1.45 0.05 0.00 -2.44 0.00 0.00 57.07 56.12 3kw2 s TYR 185 Cb 0.00 -3.05 -0.00 0.00 0.35 0.00 0.00 41.96 39.25 3kw2 s TYR 185 CO 0.00 -0.13 -0.24 -1.01 -1.34 0.00 0.00 175.55 172.83 3kw2 s HIS 186 N 1.65 2.53 0.39 4.97 3.76 -1.26 -4.87 115.29 122.45 3kw2 s HIS 186 Ca 0.44 -0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 54.14 3kw2 s HIS 186 Cb -0.18 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 31.72 3kw2 s HIS 186 CO 0.18 -0.35 1.39 0.28 -0.85 0.00 0.00 174.74 175.39 3kw2 n VAL 187 N 3.34 2.23 0.00 -0.90 0.31 -1.26 -2.51 118.33 119.54 3kw2 n VAL 187 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3kw2 n VAL 187 Cb 0.53 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3kw2 n VAL 187 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kw2 n GLY 188 N 0.61 2.93 3.51 2.92 0.00 -1.26 -5.07 105.19 108.83 3kw2 n GLY 188 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3kw2 n GLY 188 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kw2 s GLN 189 N -0.61 2.02 0.78 1.61 -0.21 -1.05 -5.01 119.66 117.20 3kw2 s GLN 189 Ca 0.00 -1.04 -0.11 0.00 0.02 0.00 0.00 55.36 54.22 3kw2 s GLN 189 Cb 0.00 -2.21 0.07 0.00 1.00 0.00 0.00 33.01 31.86 3kw2 s GLN 189 CO 0.00 0.52 1.12 -0.51 -2.12 0.00 0.00 175.29 174.29 3kw2 s ASP 190 N -1.87 4.21 -0.04 5.90 1.01 -1.26 -4.63 116.67 119.98 3kw2 s ASP 190 Ca 0.18 1.98 -0.02 0.00 0.71 0.00 0.00 52.55 55.39 3kw2 s ASP 190 Cb -0.11 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.30 3kw2 s ASP 190 CO 0.09 -2.24 0.08 0.54 0.21 0.00 0.00 175.17 173.86 3kw2 s VAL 191 N -2.68 -0.02 -0.06 -1.27 0.11 0.23 -1.58 120.40 115.12 3kw2 s VAL 191 Ca 0.64 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 3kw2 s VAL 191 Cb -0.20 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 3kw2 s VAL 191 CO 0.53 0.03 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.95 3kw2 s LEU 192 N 0.46 1.84 -0.14 2.54 0.20 -0.16 -0.54 118.68 122.89 3kw2 s LEU 192 Ca -0.04 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.42 3kw2 s LEU 192 Cb -0.05 -0.99 -0.01 0.00 -0.43 0.00 0.00 46.19 44.71 3kw2 s LEU 192 CO -0.02 0.11 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.36 3kw2 s ILE 193 N 0.33 2.73 -0.24 6.68 1.01 -0.70 -0.35 121.20 130.65 3kw2 s ILE 193 Ca -0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3kw2 s ILE 193 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3kw2 s ILE 193 CO 0.04 0.52 0.12 -0.22 0.00 0.00 0.00 174.94 175.40 3kw2 s LEU 194 N 0.57 3.80 -0.08 2.97 2.96 -0.34 -0.97 118.68 127.59 3kw2 s LEU 194 Ca -0.09 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3kw2 s LEU 194 Cb -0.16 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3kw2 s LEU 194 CO 0.03 0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.29 3kw2 s ILE 195 N 1.26 1.52 0.83 6.68 1.01 0.13 -1.27 121.20 131.36 3kw2 s ILE 195 Ca 0.06 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3kw2 s ILE 195 Cb -0.14 -1.35 0.17 0.00 0.01 0.00 0.00 42.46 41.15 3kw2 s ILE 195 CO 0.05 0.44 1.14 -0.83 0.00 0.00 0.00 174.94 175.74 3kw2 s GLY 196 N 0.58 1.77 0.97 6.18 0.00 -1.26 -2.13 107.32 113.43 3kw2 s GLY 196 Ca -0.15 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 3kw2 s GLY 196 CO 0.05 -0.91 1.28 2.56 0.00 0.00 0.00 173.10 176.08 3kw2 s PRO 197 N -5.47 0.58 0.35 2.90 0.04 -1.26 -4.51 135.00 127.63 3kw2 s PRO 197 Ca 0.70 -0.29 0.14 0.00 0.04 0.00 0.00 61.00 61.59 3kw2 s PRO 197 Cb -0.04 -1.83 1.02 0.00 0.04 0.00 0.00 34.50 33.69 3kw2 s PRO 197 CO 0.48 -2.47 1.71 1.49 0.04 0.00 0.00 177.00 178.25 3kw2 h GLU 198 N -1.68 0.43 -0.33 4.56 4.81 -1.92 0.33 114.58 120.77 3kw2 h GLU 198 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kw2 h GLU 198 Cb 1.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kw2 h GLU 198 CO 0.42 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.39 3kw2 n GLY 199 N -1.34 0.34 1.24 1.92 0.00 -1.26 -5.05 105.19 101.03 3kw2 n GLY 199 Ca 0.29 -0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.23 3kw2 n GLY 199 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kw2 n ASP 200 N 0.14 -7.41 -4.78 1.61 -0.08 0.11 -4.86 116.55 101.29 3kw2 n ASP 200 Ca 0.07 0.82 -0.33 0.00 -1.51 0.00 0.00 54.79 53.85 3kw2 n ASP 200 Cb 0.24 -3.95 0.05 0.00 2.34 0.00 0.00 41.12 39.80 3kw2 n ASP 200 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3kw2 s PHE 201 N -2.91 2.67 0.46 -0.67 0.08 -1.26 -4.51 117.98 111.85 3kw2 s PHE 201 Ca 0.00 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.42 3kw2 s PHE 201 Cb 0.00 -3.12 -0.09 0.00 -0.57 0.00 0.00 43.02 39.24 3kw2 s PHE 201 CO 0.00 -1.63 0.94 -1.54 -0.10 0.00 0.00 175.22 172.88 3kw2 s SER 202 N -2.78 6.73 0.29 1.36 1.04 -1.26 -4.92 113.70 114.15 3kw2 s SER 202 Ca 0.65 1.55 0.02 0.00 0.48 0.00 0.00 55.95 58.65 3kw2 s SER 202 Cb -0.19 -2.49 0.71 0.00 0.10 0.00 0.00 66.02 64.14 3kw2 s SER 202 CO 0.44 -0.47 1.63 -0.65 0.98 0.00 0.00 173.24 175.17 3kw2 h PRO 203 N 1.36 0.16 -0.91 4.02 0.11 -1.96 -1.19 132.00 133.59 3kw2 h PRO 203 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kw2 h PRO 203 Cb 1.18 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3kw2 h PRO 203 CO 0.62 0.11 0.59 0.77 -0.21 0.00 0.00 178.00 179.88 3kw2 h SER 204 N 0.16 1.05 -0.22 -2.05 0.02 -2.00 -0.95 113.55 109.57 3kw2 h SER 204 Ca 0.55 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.44 3kw2 h SER 204 Cb 1.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3kw2 h SER 204 CO -0.70 0.77 0.02 -0.33 -1.14 0.00 0.00 176.83 175.46 3kw2 h GLU 205 N 1.24 0.37 -0.69 3.45 5.08 -1.63 -2.48 114.58 119.92 3kw2 h GLU 205 Ca 0.33 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 3kw2 h GLU 205 Cb -0.13 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3kw2 h GLU 205 CO -0.07 0.53 0.41 0.28 -1.00 0.00 0.00 179.01 179.16 3kw2 h VAL 206 N 0.16 1.02 -0.49 3.13 2.07 -0.88 0.14 116.25 121.40 3kw2 h VAL 206 Ca 0.07 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3kw2 h VAL 206 Cb 0.35 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3kw2 h VAL 206 CO 0.01 0.14 0.20 -0.33 0.02 0.00 0.00 177.57 177.61 3kw2 h GLU 207 N 0.77 0.74 -0.34 1.57 4.39 -1.13 0.18 114.58 120.76 3kw2 h GLU 207 Ca 0.29 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3kw2 h GLU 207 Cb 0.12 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3kw2 h GLU 207 CO -0.15 0.65 0.22 1.03 -1.16 0.00 0.00 179.01 179.60 3kw2 h SER 208 N 0.66 0.39 0.04 1.42 0.87 -1.17 0.25 113.55 116.01 3kw2 h SER 208 Ca 0.17 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3kw2 h SER 208 Cb 0.19 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 3kw2 h SER 208 CO -0.01 0.30 -0.31 0.00 -0.53 0.00 0.00 176.83 176.27 3kw2 h ALA 209 N 1.11 -0.48 -0.86 6.23 0.00 -0.45 -1.73 119.26 123.08 3kw2 h ALA 209 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kw2 h ALA 209 Cb -0.03 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3kw2 h ALA 209 CO -0.03 -0.83 0.57 -0.07 0.00 0.00 0.00 179.25 178.89 3kw2 h LEU 210 N -0.49 0.96 -0.95 0.00 3.38 -0.43 -1.57 115.31 116.22 3kw2 h LEU 210 Ca 0.05 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3kw2 h LEU 210 Cb 0.55 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3kw2 h LEU 210 CO -0.23 0.68 0.59 0.25 0.09 0.00 0.00 178.44 179.82 3kw2 h LEU 211 N 1.13 0.92 0.00 1.67 5.85 -0.28 -0.99 115.31 123.61 3kw2 h LEU 211 Ca 0.33 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3kw2 h LEU 211 Cb -0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3kw2 h LEU 211 CO -0.09 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 178.56 3kw2 n ALA 212 N -2.36 2.24 0.00 1.25 0.00 -0.67 -4.87 120.51 116.09 3kw2 n ALA 212 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kw2 n ALA 212 Cb 0.23 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3kw2 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kw2 n GLY 213 N 0.90 1.19 3.78 0.00 0.00 -0.38 -5.08 105.19 105.60 3kw2 n GLY 213 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3kw2 n GLY 213 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kw2 s PHE 214 N -2.00 2.81 -0.14 1.61 0.40 -0.66 -4.67 117.98 115.33 3kw2 s PHE 214 Ca 0.00 1.56 -0.03 0.00 -0.60 0.00 0.00 56.93 57.86 3kw2 s PHE 214 Cb 0.00 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 3kw2 s PHE 214 CO 0.00 -1.27 -0.05 0.00 0.70 0.00 0.00 175.22 174.61 3kw2 s ALA 215 N -1.92 2.99 0.03 5.36 0.00 0.27 -4.28 121.76 124.21 3kw2 s ALA 215 Ca 0.70 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3kw2 s ALA 215 Cb -0.20 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3kw2 s ALA 215 CO 0.25 0.29 1.01 -1.25 0.00 0.00 0.00 175.76 176.07 3kw2 s PRO 216 N 0.12 4.56 0.10 0.00 0.04 -1.26 -0.69 135.00 137.86 3kw2 s PRO 216 Ca -0.01 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.55 3kw2 s PRO 216 Cb -0.14 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3kw2 s PRO 216 CO 0.03 -0.05 -0.11 0.14 0.04 0.00 0.00 177.00 177.04 3kw2 s VAL 217 N 0.88 1.05 0.09 -0.36 -7.23 -0.17 -4.32 120.40 110.34 3kw2 s VAL 217 Ca 0.52 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3kw2 s VAL 217 Cb -0.23 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3kw2 s VAL 217 CO 0.29 -0.48 0.22 -0.55 -0.31 0.00 0.00 175.10 174.27 3kw2 s SER 218 N -2.35 6.30 0.00 4.85 0.15 -0.05 -3.06 113.70 119.53 3kw2 s SER 218 Ca 0.05 0.22 0.21 0.00 0.70 0.00 0.00 55.95 57.14 3kw2 s SER 218 Cb -0.04 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 3kw2 s SER 218 CO 0.01 0.14 1.05 0.18 1.20 0.00 0.00 173.24 175.81 3kw2 n LEU 219 N 0.06 2.02 0.00 3.45 4.77 -1.26 -4.27 117.00 121.77 3kw2 n LEU 219 Ca -0.06 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3kw2 n LEU 219 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kw2 n LEU 219 CO 0.51 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3kw2 n GLY 220 N 1.35 0.30 0.01 -0.72 0.00 -1.26 -4.97 105.19 99.90 3kw2 n GLY 220 Ca 0.09 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3kw2 n GLY 220 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kw2 n GLU 221 N -1.54 0.04 -3.06 1.61 -0.58 -1.26 -4.88 120.64 110.98 3kw2 n GLU 221 Ca 0.00 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 3kw2 n GLU 221 Cb 0.00 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.29 3kw2 n GLU 221 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3kw2 s SER 222 N -3.16 6.96 -0.51 1.62 0.01 -1.26 -5.04 113.70 112.33 3kw2 s SER 222 Ca 0.10 1.42 -0.24 0.00 1.31 0.00 0.00 55.95 58.55 3kw2 s SER 222 Cb 0.17 -2.42 0.04 0.00 0.21 0.00 0.00 66.02 64.01 3kw2 s SER 222 CO 0.72 -0.10 0.86 -0.60 0.41 0.00 0.00 173.24 174.54 3kw2 s ARG 223 N -2.47 3.36 0.04 12.44 6.06 -1.26 -5.02 118.95 132.10 3kw2 s ARG 223 Ca 0.49 -0.22 -0.03 0.00 -2.50 0.00 0.00 55.73 53.47 3kw2 s ARG 223 Cb -0.14 -4.01 -0.04 0.00 0.06 0.00 0.00 34.95 30.82 3kw2 s ARG 223 CO 0.19 -1.32 0.25 -0.51 -2.50 0.00 0.00 175.30 171.41 3kw2 s LEU 224 N 3.61 4.35 0.74 -0.88 1.43 -1.26 -5.10 118.68 121.57 3kw2 s LEU 224 Ca 0.30 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.69 3kw2 s LEU 224 Cb -0.13 -2.84 0.04 0.00 0.03 0.00 0.00 46.19 43.30 3kw2 s LEU 224 CO 0.20 0.20 1.13 -0.13 0.23 0.00 0.00 176.35 177.99 3kw2 s ARG 225 N -2.15 2.24 0.20 1.70 0.52 -1.26 -4.76 118.95 115.44 3kw2 s ARG 225 Ca 0.32 1.45 -0.15 0.00 -0.52 0.00 0.00 55.73 56.82 3kw2 s ARG 225 Cb -0.13 -1.88 0.18 0.00 0.52 0.00 0.00 34.95 33.65 3kw2 s ARG 225 CO 0.21 -1.69 1.63 1.15 0.02 0.00 0.00 175.30 176.63 3kw2 h THR 226 N -0.61 0.41 -0.05 0.02 2.02 -1.94 0.96 112.91 113.71 3kw2 h THR 226 Ca -0.46 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 3kw2 h THR 226 Cb 1.26 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3kw2 h THR 226 CO 0.50 0.00 -0.41 1.05 0.37 0.00 0.00 175.52 177.03 3kw2 h GLU 227 N -0.03 0.12 -0.05 6.66 9.09 -1.91 -1.88 114.58 126.57 3kw2 h GLU 227 Ca 0.26 -0.05 -0.19 0.00 0.05 0.00 0.00 59.36 59.43 3kw2 h GLU 227 Cb 0.43 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 3kw2 h GLU 227 CO -0.58 0.51 -0.77 1.15 0.05 0.00 0.00 179.01 179.37 3kw2 h THR 228 N 0.10 1.40 -0.37 -1.06 2.02 -1.65 -2.75 112.91 110.60 3kw2 h THR 228 Ca 0.01 -2.26 -0.10 0.00 0.77 0.00 0.00 66.41 64.83 3kw2 h THR 228 Cb 0.77 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 3kw2 h THR 228 CO 0.06 0.67 -0.17 0.00 0.37 0.00 0.00 175.52 176.45 3kw2 h ALA 229 N 0.94 1.02 -0.06 6.16 0.00 -0.17 -0.34 119.26 126.81 3kw2 h ALA 229 Ca -0.04 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3kw2 h ALA 229 Cb 1.36 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3kw2 h ALA 229 CO 0.13 0.59 -0.11 0.78 0.00 0.00 0.00 179.25 180.63 3kw2 h GLY 230 N 0.98 -0.08 0.82 0.00 0.00 -1.18 -0.54 103.07 103.06 3kw2 h GLY 230 Ca 0.10 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.58 3kw2 h GLY 230 CO 0.04 -0.12 0.05 -2.00 0.00 0.00 0.00 176.54 174.51 3kw2 h LEU 231 N -0.16 0.04 -0.56 3.11 5.85 -1.21 -1.78 115.31 120.59 3kw2 h LEU 231 Ca 0.06 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kw2 h LEU 231 Cb 0.25 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3kw2 h LEU 231 CO -0.16 0.05 0.37 0.58 -0.34 0.00 0.00 178.44 178.94 3kw2 h VAL 232 N 0.13 1.14 -0.72 1.05 2.07 -0.94 -0.63 116.25 118.34 3kw2 h VAL 232 Ca 0.08 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kw2 h VAL 232 Cb 0.07 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3kw2 h VAL 232 CO -0.10 0.14 0.47 0.00 0.02 0.00 0.00 177.57 178.10 3kw2 h ALA 233 N 1.21 0.92 -0.43 1.67 0.00 -1.00 0.19 119.26 121.82 3kw2 h ALA 233 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3kw2 h ALA 233 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kw2 h ALA 233 CO -0.05 0.35 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 3kw2 h GLN 235 N 0.65 1.03 -0.97 0.00 5.75 -0.82 -2.37 115.11 118.38 3kw2 h GLN 235 Ca 0.11 -0.33 0.19 0.00 -0.15 0.00 0.00 58.65 58.47 3kw2 h GLN 235 Cb 0.63 -0.09 -0.18 0.00 1.07 0.00 0.00 27.48 28.91 3kw2 h GLN 235 CO 0.04 1.01 -0.27 -1.49 -2.65 0.00 0.00 178.83 175.48 3kw2 h TRP 236 N 0.94 -0.61 0.06 3.99 4.06 -0.54 0.15 115.95 124.00 3kw2 h TRP 236 Ca 0.16 0.09 -0.00 0.00 2.06 0.00 0.00 58.89 61.20 3kw2 h TRP 236 Cb 0.56 0.42 0.00 0.00 -1.00 0.00 0.00 29.16 29.14 3kw2 h TRP 236 CO 0.04 -0.41 -0.03 0.82 -3.56 0.00 0.00 178.44 175.29 3kw2 h ILE 237 N -0.00 0.99 -0.67 1.49 1.08 -1.39 -0.45 117.51 118.56 3kw2 h ILE 237 Ca 0.44 -0.17 0.04 0.00 -0.39 0.00 0.00 64.86 64.78 3kw2 h ILE 237 Cb 0.69 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.50 3kw2 h ILE 237 CO -0.99 0.04 0.41 0.45 -0.69 0.00 0.00 178.15 177.37 3kw2 h HIS 238 N -0.15 0.76 -0.46 1.37 3.86 -1.21 -0.49 115.15 118.83 3kw2 h HIS 238 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3kw2 h HIS 238 Cb 0.13 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3kw2 h HIS 238 CO -0.05 0.42 0.26 1.15 0.86 0.00 0.00 177.93 180.57 3kw2 h THR 239 N 0.79 1.16 -0.54 2.45 2.02 -0.53 -1.28 112.91 116.96 3kw2 h THR 239 Ca 0.28 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3kw2 h THR 239 Cb 0.07 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3kw2 h THR 239 CO -0.13 0.16 0.06 -0.07 0.37 0.00 0.00 175.52 175.92 3kw2 h LEU 240 N 0.61 0.84 -1.18 2.58 3.38 -0.63 0.29 115.31 121.20 3kw2 h LEU 240 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kw2 h LEU 240 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3kw2 h LEU 240 CO -0.03 0.87 0.09 1.56 0.09 0.00 0.00 178.44 181.02 3kw2 h GLN 241 N 0.83 0.67 0.17 1.13 4.20 -0.79 -2.23 115.11 119.09 3kw2 h GLN 241 Ca 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3kw2 h GLN 241 Cb 0.41 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3kw2 h GLN 241 CO 0.01 0.62 -0.08 0.00 -0.67 0.00 0.00 178.83 178.71 3kw2 h ALA 242 N 1.46 -0.26 0.00 3.87 0.00 -0.63 -3.31 119.26 120.39 3kw2 h ALA 242 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kw2 h ALA 242 Cb 0.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kw2 h ALA 242 CO -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.01 3kw2 n TYR 244 N -1.19 0.97 -2.06 0.00 4.01 -0.84 -5.00 117.16 113.06 3kw2 n TYR 244 Ca 0.09 -0.86 -0.40 0.00 -0.16 0.00 0.00 57.90 56.58 3kw2 n TYR 244 Cb 0.10 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.81 3kw2 n TYR 244 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3kw2 s ARG 245 N -2.77 4.02 -0.13 -0.72 0.52 -0.58 -5.01 118.95 114.28 3kw2 s ARG 245 Ca 0.42 2.17 -0.04 0.00 -0.52 0.00 0.00 55.73 57.77 3kw2 s ARG 245 Cb 0.34 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 3kw2 s ARG 245 CO 0.09 -0.45 0.00 0.42 0.02 0.00 0.00 175.30 175.39 3kw2 s ILE 246 N -1.24 4.30 0.00 1.52 1.01 -1.26 -5.12 121.20 120.41 3kw2 s ILE 246 Ca 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.98 3kw2 s ILE 246 Cb -0.38 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3kw2 s ILE 246 CO 0.50 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.58