#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw2 s PRO 4 N 0.00 3.71 -0.08 3.23 0.04 -1.26 -5.06 135.00 135.59 3kw2 s PRO 4 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.13 3kw2 s PRO 4 Cb 0.00 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3kw2 s PRO 4 CO 0.00 -0.47 -0.11 -1.17 0.04 0.00 0.00 177.00 175.28 3kw2 s LEU 5 N -4.18 2.89 0.25 -3.56 2.96 -1.26 -4.26 118.68 111.52 3kw2 s LEU 5 Ca 0.61 -0.17 0.11 0.00 -0.22 0.00 0.00 54.13 54.46 3kw2 s LEU 5 Cb -0.12 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3kw2 s LEU 5 CO 0.32 0.30 -0.18 -0.36 -1.32 0.00 0.00 176.35 175.11 3kw2 s PHE 6 N -0.43 2.35 -0.24 5.38 0.08 -0.29 -4.85 117.98 119.99 3kw2 s PHE 6 Ca 0.05 -0.32 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 3kw2 s PHE 6 Cb -0.12 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3kw2 s PHE 6 CO 0.02 0.64 0.12 -0.47 -0.10 0.00 0.00 175.22 175.43 3kw2 s TYR 7 N -2.23 3.20 -0.42 0.36 5.04 -1.26 -1.00 117.35 121.04 3kw2 s TYR 7 Ca 0.27 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.90 3kw2 s TYR 7 Cb -0.06 -2.24 0.17 0.00 0.35 0.00 0.00 41.96 40.17 3kw2 s TYR 7 CO 0.14 -0.11 0.33 0.00 -1.34 0.00 0.00 175.55 174.58 3kw2 s ALA 8 N 1.26 1.48 0.51 3.97 0.00 -0.03 -4.68 121.76 124.26 3kw2 s ALA 8 Ca 0.06 -2.46 0.25 0.00 0.00 0.00 0.00 51.96 49.80 3kw2 s ALA 8 Cb -0.14 -1.63 1.51 0.00 0.00 0.00 0.00 23.12 22.86 3kw2 s ALA 8 CO 0.05 -1.99 2.15 -1.00 0.00 0.00 0.00 175.76 174.97 3kw2 h PRO 9 N 5.78 0.00 -0.50 0.00 0.13 -1.76 -2.32 132.00 133.34 3kw2 h PRO 9 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 3kw2 h PRO 9 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3kw2 h PRO 9 CO 0.38 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 177.96 3kw2 n ASP 10 N -3.97 2.93 0.08 1.44 8.00 -1.26 -4.63 116.55 119.14 3kw2 n ASP 10 Ca -0.03 -1.97 0.21 0.00 0.71 0.00 0.00 54.79 53.71 3kw2 n ASP 10 Cb 0.15 -0.33 0.70 0.00 -0.02 0.00 0.00 41.12 41.62 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 3.34 0.27 0.00 0.53 6.09 -1.57 0.12 117.51 126.29 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 0.76 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.59 3kw2 h ILE 11 CO 0.00 0.00 -0.22 -0.62 -3.07 0.00 0.00 178.15 174.24 3kw2 n GLU 12 N -3.53 0.16 -0.00 2.19 1.02 -1.26 -3.81 120.64 115.41 3kw2 n GLU 12 Ca 0.08 0.10 0.02 0.00 -0.02 0.00 0.00 57.16 57.34 3kw2 n GLU 12 Cb 0.73 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 3kw2 n GLU 12 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kw2 n GLN 13 N -1.92 3.36 -3.75 3.49 1.13 0.31 -5.04 117.38 114.96 3kw2 n GLN 13 Ca 0.05 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 3kw2 n GLN 13 Cb 0.40 -0.86 -0.11 0.00 0.11 0.00 0.00 30.24 29.77 3kw2 n GLN 13 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kw2 s SER 14 N -1.85 -0.37 0.00 1.08 0.15 -0.54 -5.01 113.70 107.16 3kw2 s SER 14 Ca 0.00 0.71 0.23 0.00 0.70 0.00 0.00 55.95 57.59 3kw2 s SER 14 Cb 0.03 0.70 0.43 0.00 -1.71 0.00 0.00 66.02 65.47 3kw2 s SER 14 CO 0.17 -0.13 1.41 0.47 1.20 0.00 0.00 173.24 176.36 3kw2 n ASP 15 N 3.09 3.39 -4.71 5.45 8.00 -1.26 -4.16 116.55 126.35 3kw2 n ASP 15 Ca -0.15 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 52.97 3kw2 n ASP 15 Cb 0.57 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.53 4.38 0.48 -1.24 3.52 -1.26 -0.38 118.95 122.92 3kw2 s ARG 16 Ca 0.38 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.56 3kw2 s ARG 16 Cb 0.23 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 30.05 3kw2 s ARG 16 CO 0.32 0.02 0.99 -0.51 -0.81 0.00 0.00 175.30 175.30 3kw2 s LEU 17 N 1.00 3.82 0.51 -0.88 1.43 -0.16 -4.93 118.68 119.47 3kw2 s LEU 17 Ca 0.34 1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 3kw2 s LEU 17 Cb -0.17 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 3kw2 s LEU 17 CO 0.15 -0.60 1.16 -2.65 0.23 0.00 0.00 176.35 174.65 3kw2 n PRO 18 N -1.02 1.47 -0.23 1.29 -0.02 -1.26 -4.71 135.00 130.52 3kw2 n PRO 18 Ca 0.08 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 3kw2 n PRO 18 Cb 0.53 -2.31 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.36 0.39 -0.77 2.55 3.45 -1.95 -0.84 116.42 120.62 3kw2 h ASP 19 Ca -0.48 0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.01 3kw2 h ASP 19 Cb 1.32 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 40.06 3kw2 h ASP 19 CO 0.56 0.22 0.35 -2.24 -1.57 0.00 0.00 179.24 176.56 3kw2 h ASP 20 N 0.55 1.03 -0.20 6.45 2.03 -1.99 -0.67 116.42 123.61 3kw2 h ASP 20 Ca 0.34 -0.13 -0.09 0.00 -0.73 0.00 0.00 57.03 56.41 3kw2 h ASP 20 Cb 0.38 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3kw2 h ASP 20 CO -0.28 0.89 -0.24 -0.33 -1.03 0.00 0.00 179.24 178.24 3kw2 h GLU 21 N 1.11 0.52 0.20 4.15 4.39 -1.79 -2.37 114.58 120.79 3kw2 h GLU 21 Ca 0.26 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kw2 h GLU 21 Cb 0.15 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3kw2 h GLU 21 CO -0.03 0.88 -0.37 0.00 -1.16 0.00 0.00 179.01 178.33 3kw2 h ALA 22 N 0.63 -0.70 -0.62 3.43 0.00 -0.85 0.03 119.26 121.18 3kw2 h ALA 22 Ca 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.98 3kw2 h ALA 22 Cb 0.81 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 3kw2 h ALA 22 CO 0.06 -0.95 -0.09 0.78 0.00 0.00 0.00 179.25 179.06 3kw2 h GLY 23 N -0.65 0.55 1.01 0.00 0.00 -1.21 -0.73 103.07 102.03 3kw2 h GLY 23 Ca 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3kw2 h GLY 23 CO -0.17 -0.23 0.44 0.84 0.00 0.00 0.00 176.54 177.42 3kw2 h HIS 24 N 0.05 1.01 -0.28 5.60 6.17 -0.98 0.10 115.15 126.81 3kw2 h HIS 24 Ca 0.31 -0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.25 3kw2 h HIS 24 Cb 0.50 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 30.10 3kw2 h HIS 24 CO -0.45 0.69 -0.35 0.82 0.71 0.00 0.00 177.93 179.35 3kw2 h ILE 25 N 1.03 1.30 0.04 6.26 2.04 -0.41 0.31 117.51 128.07 3kw2 h ILE 25 Ca 0.27 -1.54 -0.35 0.00 1.00 0.00 0.00 64.86 64.24 3kw2 h ILE 25 Cb -0.01 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3kw2 h ILE 25 CO -0.05 0.49 -1.95 0.18 0.00 0.00 0.00 178.15 176.83 3kw2 n LEU 26 N -4.21 2.30 -0.02 1.44 4.77 -0.33 -1.94 117.00 119.01 3kw2 n LEU 26 Ca -0.04 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3kw2 n LEU 26 Cb 0.51 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 3kw2 n LEU 26 CO 0.46 0.62 -0.63 0.54 -1.33 0.00 0.00 177.39 177.05 3kw2 n ARG 27 N -3.92 0.67 -0.10 3.23 1.74 -0.01 -2.44 116.66 115.83 3kw2 n ARG 27 Ca -0.39 0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 3kw2 n ARG 27 Cb 0.88 -1.76 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 3kw2 n ARG 27 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kw2 n VAL 28 N -3.15 1.57 0.22 1.55 0.31 -1.03 -4.54 118.33 113.26 3kw2 n VAL 28 Ca -0.22 -0.41 0.12 0.00 -0.01 0.00 0.00 64.34 63.82 3kw2 n VAL 28 Cb 1.05 -1.76 0.04 0.00 -0.91 0.00 0.00 33.84 32.26 3kw2 n VAL 28 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kw2 h LEU 29 N -0.53 0.00 -2.29 7.52 5.85 -0.48 -3.49 115.31 121.88 3kw2 h LEU 29 Ca -0.55 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3kw2 h LEU 29 Cb 1.71 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.65 3kw2 h LEU 29 CO -0.20 0.03 -1.13 0.54 -0.34 0.00 0.00 178.44 177.34 3kw2 n ARG 30 N -2.55 -3.28 -3.77 1.25 5.12 -0.82 -4.95 116.66 107.66 3kw2 n ARG 30 Ca 0.01 2.61 -0.03 0.00 -1.93 0.00 0.00 57.85 58.52 3kw2 n ARG 30 Cb 0.52 -3.98 -0.00 0.00 -1.16 0.00 0.00 32.46 27.84 3kw2 n ARG 30 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 3kw2 s GLN 32 N -0.80 1.11 0.43 5.56 -2.07 -1.26 -4.96 119.66 117.66 3kw2 s GLN 32 Ca -0.19 -0.65 -0.26 0.00 -1.82 0.00 0.00 55.36 52.44 3kw2 s GLN 32 Cb 0.01 0.35 -0.09 0.00 -1.09 0.00 0.00 33.01 32.20 3kw2 s GLN 32 CO 0.58 -0.51 1.39 0.00 -1.32 0.00 0.00 175.29 175.43 3kw2 n ALA 33 N -0.54 1.84 0.00 2.60 0.00 -1.26 -1.45 120.51 121.69 3kw2 n ALA 33 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3kw2 n ALA 33 Cb 0.61 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 0.64 3.25 3.77 0.00 0.00 0.83 -4.97 105.19 108.70 3kw2 n GLY 34 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.06 7.02 0.29 1.61 1.01 -0.53 -4.76 116.67 120.25 3kw2 s ASP 35 Ca 0.00 2.24 -0.17 0.00 0.71 0.00 0.00 52.55 55.33 3kw2 s ASP 35 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 3kw2 s ASP 35 CO 0.00 -0.31 0.73 -0.13 0.21 0.00 0.00 175.17 175.67 3kw2 s ARG 36 N -1.83 4.09 0.07 8.23 0.52 -1.26 -1.42 118.95 127.35 3kw2 s ARG 36 Ca 0.50 0.74 0.01 0.00 -0.52 0.00 0.00 55.73 56.46 3kw2 s ARG 36 Cb -0.30 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 3kw2 s ARG 36 CO 0.38 0.24 -0.06 -0.51 0.02 0.00 0.00 175.30 175.37 3kw2 s LEU 37 N -2.62 2.43 -0.15 2.53 1.43 0.68 -4.95 118.68 118.04 3kw2 s LEU 37 Ca 0.50 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3kw2 s LEU 37 Cb -0.12 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 3kw2 s LEU 37 CO 0.19 -0.42 -0.15 -0.13 0.23 0.00 0.00 176.35 176.07 3kw2 s ARG 38 N -3.18 3.26 0.22 1.70 1.81 -1.26 -0.89 118.95 120.61 3kw2 s ARG 38 Ca 0.04 -0.73 0.11 0.00 -1.72 0.00 0.00 55.73 53.43 3kw2 s ARG 38 Cb 0.01 -2.62 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 3kw2 s ARG 38 CO -0.04 0.07 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.94 3kw2 s LEU 39 N 0.69 2.59 0.10 2.53 1.43 -0.35 -1.14 118.68 124.53 3kw2 s LEU 39 Ca -0.07 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.22 3kw2 s LEU 39 Cb -0.16 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3kw2 s LEU 39 CO 0.02 0.09 -0.14 0.28 0.23 0.00 0.00 176.35 176.83 3kw2 s THR 40 N -1.96 1.19 -1.67 5.49 -1.32 -0.17 -0.94 115.64 116.27 3kw2 s THR 40 Ca 0.25 -1.52 0.26 0.00 -1.21 0.00 0.00 61.69 59.46 3kw2 s THR 40 Cb -0.07 -1.31 0.22 0.00 -1.51 0.00 0.00 72.50 69.83 3kw2 s THR 40 CO 0.13 -0.34 1.52 -0.90 -2.21 0.00 0.00 174.62 172.81 3kw2 n ASP 41 N 0.88 1.01 -0.19 8.08 5.68 -1.17 -0.85 116.55 129.98 3kw2 n ASP 41 Ca -0.18 -0.84 -0.02 0.00 -0.50 0.00 0.00 54.79 53.24 3kw2 n ASP 41 Cb 0.56 0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.70 3kw2 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kw2 n GLY 42 N 1.37 0.58 0.22 6.12 0.00 -1.21 -4.33 105.19 107.93 3kw2 n GLY 42 Ca 0.11 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.52 0.85 0.00 1.61 5.12 -0.79 -4.07 116.66 116.86 3kw2 n ARG 43 Ca -0.02 -1.95 0.00 0.00 -1.93 0.00 0.00 57.85 53.95 3kw2 n ARG 43 Cb 0.13 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 3kw2 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kw2 n GLY 44 N -0.87 0.66 3.52 -0.13 0.00 0.36 -4.98 105.19 103.76 3kw2 n GLY 44 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.88 4.25 0.07 1.61 0.01 -1.26 -0.30 113.70 116.19 3kw2 s SER 45 Ca 0.00 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.07 3kw2 s SER 45 Cb 0.00 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 3kw2 s SER 45 CO 0.00 0.31 0.18 -0.36 0.41 0.00 0.00 173.24 173.78 3kw2 s PHE 46 N -0.86 3.44 -0.00 2.43 0.08 0.04 -3.06 117.98 120.04 3kw2 s PHE 46 Ca 0.14 0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.43 3kw2 s PHE 46 Cb -0.11 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3kw2 s PHE 46 CO 0.04 0.57 -0.12 -0.06 -0.10 0.00 0.00 175.22 175.55 3kw2 s PHE 47 N -1.48 1.11 -0.09 0.36 0.40 -0.11 -0.91 117.98 117.25 3kw2 s PHE 47 Ca 0.34 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.26 3kw2 s PHE 47 Cb -0.13 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 3kw2 s PHE 47 CO 0.27 -0.01 0.50 -0.51 0.70 0.00 0.00 175.22 176.16 3kw2 s ASP 48 N -0.39 6.74 0.12 1.36 1.01 0.44 -1.21 116.67 124.75 3kw2 s ASP 48 Ca 0.04 0.88 -0.00 0.00 0.71 0.00 0.00 52.55 54.18 3kw2 s ASP 48 Cb -0.05 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3kw2 s ASP 48 CO -0.00 0.03 0.03 0.00 0.21 0.00 0.00 175.17 175.43 3kw2 s ALA 49 N 0.41 0.87 -0.03 5.23 0.00 -0.07 -0.24 121.76 127.94 3kw2 s ALA 49 Ca 0.27 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3kw2 s ALA 49 Cb -0.16 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3kw2 s ALA 49 CO 0.12 -0.43 -0.11 0.08 0.00 0.00 0.00 175.76 175.42 3kw2 s VAL 50 N -3.95 0.93 0.10 0.00 1.01 0.11 -0.23 120.40 118.38 3kw2 s VAL 50 Ca 0.20 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 3kw2 s VAL 50 Cb 0.07 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.55 3kw2 s VAL 50 CO -0.01 0.28 1.61 -0.63 0.00 0.00 0.00 175.10 176.35 3kw2 s ILE 51 N 0.11 2.95 -0.20 2.22 1.01 -0.51 -0.58 121.20 126.20 3kw2 s ILE 51 Ca -0.02 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.18 3kw2 s ILE 51 Cb -0.09 -3.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.90 3kw2 s ILE 51 CO 0.01 0.01 -0.14 -0.62 0.00 0.00 0.00 174.94 174.20 3kw2 n GLU 52 N 5.02 0.68 -3.68 2.79 -0.58 0.10 -0.12 120.64 124.85 3kw2 n GLU 52 Ca 0.15 0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.88 3kw2 n GLU 52 Cb 0.40 -1.43 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.42 -0.01 -0.05 2.62 2.01 -1.05 -4.81 115.64 111.93 3kw2 s THR 53 Ca -0.25 0.03 0.06 0.00 0.31 0.00 0.00 61.69 61.83 3kw2 s THR 53 Cb 0.07 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3kw2 s THR 53 CO 0.53 0.01 -0.22 0.00 -0.69 0.00 0.00 174.62 174.25 3kw2 s ALA 54 N 0.97 1.94 0.46 7.40 0.00 -1.26 -0.74 121.76 130.53 3kw2 s ALA 54 Ca -0.05 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3kw2 s ALA 54 Cb -0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kw2 s ALA 54 CO -0.09 0.37 0.26 -0.51 0.00 0.00 0.00 175.76 175.79 3kw2 s ASP 55 N -0.10 4.54 0.45 0.00 1.11 0.12 -4.98 116.67 117.81 3kw2 s ASP 55 Ca -0.03 -1.15 0.30 0.00 0.18 0.00 0.00 52.55 51.85 3kw2 s ASP 55 Cb -0.13 -0.11 1.62 0.00 1.07 0.00 0.00 42.92 45.37 3kw2 s ASP 55 CO 0.03 -0.77 1.93 0.03 1.18 0.00 0.00 175.17 177.57 3kw2 h ARG 56 N 1.15 0.00 0.00 8.23 3.08 -2.07 -3.28 114.38 121.49 3kw2 h ARG 56 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3kw2 h ARG 56 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3kw2 h ARG 56 CO 0.65 0.00 -0.58 0.36 -1.07 0.00 0.00 179.97 179.33 3kw2 n LYS 57 N -2.57 2.39 -4.19 0.04 2.85 -1.26 -5.13 118.16 110.29 3kw2 n LYS 57 Ca -0.02 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.09 3kw2 n LYS 57 Cb 0.06 -0.79 -0.11 0.00 -0.65 0.00 0.00 35.03 33.54 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 -1.85 1.55 -0.19 -5.58 0.01 -1.24 -4.98 113.70 101.42 3kw2 s SER 58 Ca 0.00 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.47 3kw2 s SER 58 Cb 0.00 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.25 3kw2 s SER 58 CO 0.00 -0.23 -0.19 0.00 0.41 0.00 0.00 173.24 173.22 3kw2 s TYR 60 N 1.28 3.22 0.26 0.00 1.51 0.08 -0.99 117.35 122.71 3kw2 s TYR 60 Ca 0.04 0.17 0.10 0.00 -1.01 0.00 0.00 57.07 56.37 3kw2 s TYR 60 Cb -0.14 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 3kw2 s TYR 60 CO -0.12 0.41 -0.16 0.14 -1.11 0.00 0.00 175.55 174.70 3kw2 s VAL 61 N -0.57 2.15 -0.03 0.71 -7.23 0.49 0.01 120.40 115.92 3kw2 s VAL 61 Ca 0.10 -2.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 3kw2 s VAL 61 Cb -0.12 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 3kw2 s VAL 61 CO 0.02 -0.44 -0.15 -0.94 -0.31 0.00 0.00 175.10 173.28 3kw2 s SER 62 N -3.45 3.97 -0.24 4.85 1.04 0.25 -4.73 113.70 115.40 3kw2 s SER 62 Ca 0.28 -0.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 3kw2 s SER 62 Cb -0.02 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 3kw2 s SER 62 CO 0.12 0.33 0.35 -0.69 0.98 0.00 0.00 173.24 174.33 3kw2 s VAL 63 N -0.78 5.21 -0.17 5.02 1.01 -1.26 -0.71 120.40 128.73 3kw2 s VAL 63 Ca 0.12 0.57 0.14 0.00 0.00 0.00 0.00 61.98 62.82 3kw2 s VAL 63 Cb -0.11 -3.68 0.42 0.00 0.00 0.00 0.00 36.38 33.01 3kw2 s VAL 63 CO 0.02 0.22 1.21 0.00 0.00 0.00 0.00 175.10 176.54 3kw2 n GLY 65 N -0.81 2.59 3.06 0.00 0.00 -1.20 -4.83 105.19 103.99 3kw2 n GLY 65 Ca 0.16 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.54 0.21 0.00 1.61 0.74 -1.26 -0.42 119.66 119.00 3kw2 s GLN 66 Ca 0.00 0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.76 3kw2 s GLN 66 Cb 0.00 -0.00 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 3kw2 s GLN 66 CO 0.00 -0.09 0.05 -1.83 -0.55 0.00 0.00 175.29 172.87 3kw2 s GLU 67 N 0.63 0.31 0.01 1.67 -1.05 -0.09 -5.00 118.70 115.17 3kw2 s GLU 67 Ca -0.04 -0.37 -0.28 0.00 -0.15 0.00 0.00 54.97 54.13 3kw2 s GLU 67 Cb -0.06 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 3kw2 s GLU 67 CO -0.03 -0.06 0.88 -1.12 0.95 0.00 0.00 175.26 175.88 3kw2 s SER 68 N -1.06 7.28 0.25 0.83 0.01 -1.26 -0.78 113.70 118.97 3kw2 s SER 68 Ca -0.12 1.54 -0.30 0.00 1.31 0.00 0.00 55.95 58.39 3kw2 s SER 68 Cb -0.07 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 3kw2 s SER 68 CO 0.00 -0.16 1.21 0.86 0.41 0.00 0.00 173.24 175.56 3kw2 s TRP 69 N 0.66 3.36 -0.70 2.43 -0.00 0.59 -4.92 118.94 120.36 3kw2 s TRP 69 Ca 0.46 1.47 -0.20 0.00 -0.00 0.00 0.00 56.10 57.83 3kw2 s TRP 69 Cb -0.21 -3.47 0.10 0.00 -0.00 0.00 0.00 33.47 29.89 3kw2 s TRP 69 CO 0.25 -1.26 0.91 -1.14 -0.00 0.00 0.00 176.95 175.72 3kw2 s GLN 70 N -0.93 3.20 0.03 5.86 -0.44 -1.26 -4.99 119.66 121.13 3kw2 s GLN 70 Ca 0.50 -1.22 -0.36 0.00 -2.50 0.00 0.00 55.36 51.78 3kw2 s GLN 70 Cb -0.35 -4.39 -0.15 0.00 -1.64 0.00 0.00 33.01 26.48 3kw2 s GLN 70 CO 0.42 -1.71 1.53 1.17 0.50 0.00 0.00 175.29 177.20 3kw2 n LYS 71 N 6.94 1.55 0.00 1.67 4.81 -1.26 -4.84 118.16 127.03 3kw2 n LYS 71 Ca 0.01 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3kw2 n LYS 71 Cb 0.45 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 3.67 0.98 -4.08 1.64 -0.04 -1.26 -4.76 135.00 131.15 3kw2 n PRO 72 Ca 0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 3kw2 n PRO 72 Cb 0.22 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.58 0.71 0.17 0.54 -2.14 -1.26 -5.12 118.94 111.25 3kw2 s TRP 73 Ca 0.00 -1.02 0.03 0.00 2.66 0.00 0.00 56.10 57.78 3kw2 s TRP 73 Cb 0.00 -0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.15 3kw2 s TRP 73 CO 0.00 -0.78 0.27 1.03 -2.66 0.00 0.00 176.95 174.81 3kw2 s ARG 74 N -4.07 3.35 1.63 3.25 0.52 -1.26 -5.03 118.95 117.34 3kw2 s ARG 74 Ca 0.28 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 3kw2 s ARG 74 Cb 0.03 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.61 3kw2 s ARG 74 CO 0.08 0.50 0.00 -0.25 0.02 0.00 0.00 175.30 175.65 3kw2 n ASP 75 N -0.67 -5.15 -4.54 0.23 10.43 -1.26 -4.81 116.55 110.79 3kw2 n ASP 75 Ca -0.07 0.15 -0.34 0.00 2.57 0.00 0.00 54.79 57.10 3kw2 n ASP 75 Cb 0.55 -0.42 -0.12 0.00 1.84 0.00 0.00 41.12 42.96 3kw2 n ASP 75 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3kw2 s ARG 76 N -0.24 3.03 -0.16 -1.24 3.52 -1.26 -5.01 118.95 117.58 3kw2 s ARG 76 Ca 0.00 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3kw2 s ARG 76 Cb 0.00 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 3kw2 s ARG 76 CO 0.00 0.51 -0.16 0.42 -0.81 0.00 0.00 175.30 175.26 3kw2 s ILE 77 N -0.40 2.54 -0.06 4.11 1.01 -1.26 -0.73 121.20 126.40 3kw2 s ILE 77 Ca 0.06 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.95 3kw2 s ILE 77 Cb -0.12 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3kw2 s ILE 77 CO 0.02 0.52 -0.21 -0.89 0.00 0.00 0.00 174.94 174.38 3kw2 s THR 78 N 0.95 1.77 -0.21 2.92 2.01 -0.35 -1.30 115.64 121.44 3kw2 s THR 78 Ca -0.03 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 3kw2 s THR 78 Cb -0.15 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 3kw2 s THR 78 CO -0.03 0.50 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 3kw2 s ILE 79 N 0.05 3.56 -0.23 1.82 -1.09 -0.62 -1.41 121.20 123.28 3kw2 s ILE 79 Ca -0.07 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3kw2 s ILE 79 Cb -0.14 -2.61 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 3kw2 s ILE 79 CO 0.04 0.43 -0.09 0.00 -1.23 0.00 0.00 174.94 174.09 3kw2 s ALA 80 N 1.27 2.63 0.00 9.38 0.00 -0.40 -0.36 121.76 134.29 3kw2 s ALA 80 Ca 0.03 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 3kw2 s ALA 80 Cb -0.14 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 3kw2 s ALA 80 CO -0.01 -0.73 0.04 -1.50 0.00 0.00 0.00 175.76 173.56 3kw2 s ILE 81 N 1.31 0.07 0.23 0.00 2.07 0.88 -0.02 121.20 125.74 3kw2 s ILE 81 Ca 0.01 -0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 58.38 3kw2 s ILE 81 Cb -0.16 -0.25 -0.09 0.00 0.13 0.00 0.00 42.46 42.09 3kw2 s ILE 81 CO -0.06 -0.32 1.22 0.00 -1.91 0.00 0.00 174.94 173.87 3kw2 s ALA 82 N -0.98 3.46 0.39 1.50 0.00 -0.65 -1.07 121.76 124.42 3kw2 s ALA 82 Ca -0.11 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.63 3kw2 s ALA 82 Cb -0.06 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3kw2 s ALA 82 CO -0.00 -0.40 1.03 -1.25 0.00 0.00 0.00 175.76 175.14 3kw2 s PRO 83 N -0.70 4.21 0.58 0.00 0.04 -1.26 -4.79 135.00 133.07 3kw2 s PRO 83 Ca 0.51 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 3kw2 s PRO 83 Cb -0.34 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 3kw2 s PRO 83 CO 0.40 -0.09 1.03 0.95 0.04 0.00 0.00 177.00 179.33 3kw2 s THR 84 N -1.69 4.24 0.24 1.26 -4.23 -1.26 -4.25 115.64 109.94 3kw2 s THR 84 Ca 0.57 0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 62.01 3kw2 s THR 84 Cb -0.21 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.28 3kw2 s THR 84 CO 0.26 -0.70 1.68 0.50 -0.54 0.00 0.00 174.62 175.82 3kw2 h LYS 85 N 0.41 0.23 -5.42 3.99 3.64 -1.96 -3.39 116.57 114.07 3kw2 h LYS 85 Ca -0.46 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.31 3kw2 h LYS 85 Cb 1.20 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.86 3kw2 h LYS 85 CO 0.60 0.15 -0.32 -0.65 -2.27 0.00 0.00 179.45 176.95 3kw2 s GLN 86 N -6.06 4.22 0.43 1.90 -0.21 -1.26 -5.00 119.66 113.68 3kw2 s GLN 86 Ca -0.13 0.06 0.24 0.00 0.02 0.00 0.00 55.36 55.55 3kw2 s GLN 86 Cb 0.21 -3.46 0.81 0.00 1.00 0.00 0.00 33.01 31.57 3kw2 s GLN 86 CO 0.75 0.15 1.78 0.66 -2.12 0.00 0.00 175.29 176.51 3kw2 h SER 87 N 6.94 0.00 -0.76 5.90 4.64 -2.00 -3.11 113.55 125.16 3kw2 h SER 87 Ca -0.40 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.02 3kw2 h SER 87 Cb 1.16 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 3kw2 h SER 87 CO 0.74 0.21 0.41 -0.08 -0.87 0.00 0.00 176.83 177.24 3kw2 h GLU 88 N 0.00 0.67 -0.68 4.77 4.81 -1.95 -0.43 114.58 121.77 3kw2 h GLU 88 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kw2 h GLU 88 Cb 0.82 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3kw2 h GLU 88 CO 0.03 0.44 0.00 0.54 -0.73 0.00 0.00 179.01 179.29 3kw2 n ARG 89 N -4.80 0.00 0.00 1.92 1.74 -1.18 -1.70 116.66 112.64 3kw2 n ARG 89 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3kw2 n ARG 89 Cb 0.27 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.61 0.00 0.00 5.56 1.02 -0.17 -4.69 120.64 122.97 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3kw2 n GLU 91 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3kw2 n TRP 92 N 0.00 0.00 0.00 -0.32 7.02 -0.69 -1.98 117.44 121.47 3kw2 n TRP 92 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3kw2 n TRP 92 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 3kw2 n TRP 92 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3kw2 n LEU 94 N 0.56 0.00 -0.25 -0.99 7.94 -1.26 -2.35 117.00 120.64 3kw2 n LEU 94 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kw2 n LEU 94 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3kw2 n LEU 94 CO 0.00 0.00 0.70 -0.08 -1.11 0.00 0.00 177.39 176.90 3kw2 h GLU 95 N 0.00 -0.02 -0.08 1.96 4.81 -1.70 -0.92 114.58 118.63 3kw2 h GLU 95 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 3kw2 h GLU 95 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3kw2 h GLU 95 CO 0.00 -0.02 -0.62 0.87 -0.73 0.00 0.00 179.01 178.51 3kw2 h LYS 96 N -0.02 0.28 -0.86 1.92 1.79 -1.76 -1.95 116.57 115.98 3kw2 h LYS 96 Ca 0.33 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 3kw2 h LYS 96 Cb 0.54 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 3kw2 h LYS 96 CO -0.75 0.81 0.44 -0.07 -1.08 0.00 0.00 179.45 178.81 3kw2 h LEU 97 N 0.21 1.09 -0.44 2.94 3.38 -1.71 -0.19 115.31 120.60 3kw2 h LEU 97 Ca -0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3kw2 h LEU 97 Cb 1.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3kw2 h LEU 97 CO 0.10 0.90 0.00 0.58 0.09 0.00 0.00 178.44 180.11 3kw2 h VAL 98 N 1.21 1.26 -0.16 1.22 2.07 -0.86 0.18 116.25 121.17 3kw2 h VAL 98 Ca 0.30 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kw2 h VAL 98 Cb 0.07 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3kw2 h VAL 98 CO -0.04 0.36 -0.05 -0.33 0.02 0.00 0.00 177.57 177.53 3kw2 h GLU 99 N 0.63 -0.01 -0.20 1.57 5.08 -1.08 -3.15 114.58 117.41 3kw2 h GLU 99 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3kw2 h GLU 99 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kw2 h GLU 99 CO 0.02 -0.01 -0.20 0.82 -1.00 0.00 0.00 179.01 178.64 3kw2 h ILE 100 N -0.01 1.33 0.00 3.13 2.04 -0.86 -3.49 117.51 119.66 3kw2 h ILE 100 Ca 0.08 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3kw2 h ILE 100 Cb 0.13 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3kw2 h ILE 100 CO -0.17 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3kw2 n GLY 101 N 0.19 2.88 3.18 5.37 0.00 0.61 -5.03 105.19 112.38 3kw2 n GLY 101 Ca -0.05 -0.57 -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 0.07 -0.16 1.61 0.11 -1.19 -4.93 120.40 115.91 3kw2 s VAL 102 Ca 0.00 -0.61 0.19 0.00 -2.93 0.00 0.00 61.98 58.63 3kw2 s VAL 102 Cb 0.00 -0.56 -0.27 0.00 -1.53 0.00 0.00 36.38 34.02 3kw2 s VAL 102 CO 0.00 -0.33 0.18 0.47 -3.33 0.00 0.00 175.10 172.09 3kw2 n ASP 103 N 1.29 0.02 -3.68 3.54 8.00 -0.42 -4.33 116.55 120.97 3kw2 n ASP 103 Ca -0.22 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.16 3kw2 n ASP 103 Cb 0.56 1.22 -0.09 0.00 -0.02 0.00 0.00 41.12 42.79 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 -2.74 0.63 -0.12 -1.24 2.12 -0.96 -2.01 118.70 114.37 3kw2 s GLU 104 Ca -0.09 0.80 0.02 0.00 0.36 0.00 0.00 54.97 56.06 3kw2 s GLU 104 Cb 0.08 0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.75 3kw2 s GLU 104 CO 0.85 -0.09 -0.16 0.08 -0.54 0.00 0.00 175.26 175.40 3kw2 s VAL 105 N 0.50 1.59 -0.21 3.70 1.01 0.18 -1.59 120.40 125.58 3kw2 s VAL 105 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3kw2 s VAL 105 Cb -0.04 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3kw2 s VAL 105 CO -0.02 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 3kw2 s VAL 106 N 1.07 2.54 -0.12 2.92 1.01 0.52 -0.89 120.40 127.44 3kw2 s VAL 106 Ca -0.04 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 3kw2 s VAL 106 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3kw2 s VAL 106 CO -0.04 0.40 0.60 -0.36 0.00 0.00 0.00 175.10 175.70 3kw2 s PHE 107 N 1.33 3.50 0.43 5.22 0.08 0.92 -0.08 117.98 129.38 3kw2 s PHE 107 Ca 0.03 1.03 0.08 0.00 0.12 0.00 0.00 56.93 58.19 3kw2 s PHE 107 Cb -0.15 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 3kw2 s PHE 107 CO -0.08 0.05 0.51 0.96 -0.10 0.00 0.00 175.22 176.56 3kw2 s ILE 108 N 1.02 2.84 -0.14 0.64 -4.36 -0.23 -1.65 121.20 119.32 3kw2 s ILE 108 Ca 0.31 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.60 3kw2 s ILE 108 Cb -0.16 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.59 3kw2 s ILE 108 CO 0.13 0.00 -0.19 -1.61 0.24 0.00 0.00 174.94 173.51 3kw2 s GLU 109 N -4.29 3.11 0.31 0.37 2.02 0.15 -4.46 118.70 115.91 3kw2 s GLU 109 Ca 0.53 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.74 3kw2 s GLU 109 Cb -0.08 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3kw2 s GLU 109 CO 0.31 0.03 0.17 -1.54 0.02 0.00 0.00 175.26 174.25 3kw2 s SER 110 N 0.75 1.59 0.23 -0.19 1.04 -1.26 -1.06 113.70 114.80 3kw2 s SER 110 Ca -0.08 -1.57 -0.14 0.00 0.48 0.00 0.00 55.95 54.64 3kw2 s SER 110 Cb -0.16 0.40 0.28 0.00 0.10 0.00 0.00 66.02 66.65 3kw2 s SER 110 CO 0.00 -0.90 1.59 -0.08 0.98 0.00 0.00 173.24 174.83 3kw2 h GLU 111 N 2.19 -0.03 -0.61 4.02 4.81 -2.01 -2.40 114.58 120.55 3kw2 h GLU 111 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3kw2 h GLU 111 Cb 1.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kw2 h GLU 111 CO 0.51 -0.02 0.00 0.72 -0.73 0.00 0.00 179.01 179.49 3kw2 n HIS 112 N -5.50 0.82 -2.73 0.92 8.25 -1.26 -4.99 115.22 110.73 3kw2 n HIS 112 Ca 0.10 -0.50 -0.32 0.00 -0.26 0.00 0.00 57.72 56.74 3kw2 n HIS 112 Cb 0.39 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.00 6.66 -0.13 0.41 1.04 -0.90 -4.66 113.70 115.12 3kw2 s SER 113 Ca 0.41 1.40 -0.29 0.00 0.48 0.00 0.00 55.95 57.95 3kw2 s SER 113 Cb 0.21 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 3kw2 s SER 113 CO 0.27 -0.43 1.76 -1.61 0.98 0.00 0.00 173.24 174.21 3kw2 s GLU 114 N -3.69 3.89 -0.63 4.02 0.41 -1.26 -4.81 118.70 116.64 3kw2 s GLU 114 Ca 0.56 2.02 -0.22 0.00 -0.41 0.00 0.00 54.97 56.92 3kw2 s GLU 114 Cb -0.10 -4.08 0.07 0.00 -1.78 0.00 0.00 34.13 28.24 3kw2 s GLU 114 CO 0.26 -1.20 0.92 1.03 -0.49 0.00 0.00 175.26 175.79 3kw2 s ARG 115 N 4.64 3.13 0.12 1.61 1.81 -1.26 -4.76 118.95 124.23 3kw2 s ARG 115 Ca 0.78 -0.81 -0.18 0.00 -1.72 0.00 0.00 55.73 53.80 3kw2 s ARG 115 Cb -0.31 -4.20 0.04 0.00 -0.45 0.00 0.00 34.95 30.03 3kw2 s ARG 115 CO 0.32 -1.72 0.45 -0.98 -0.68 0.00 0.00 175.30 172.68 3kw2 s ARG 116 N 3.87 1.09 0.29 3.54 1.70 -1.26 -5.13 118.95 123.04 3kw2 s ARG 116 Ca 0.22 -0.59 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 3kw2 s ARG 116 Cb -0.17 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 3kw2 s ARG 116 CO 0.11 -0.43 1.27 0.50 -1.08 0.00 0.00 175.30 175.67 3kw2 s ARG 117 N -3.53 4.42 -0.16 3.89 3.52 -1.26 -4.94 118.95 120.89 3kw2 s ARG 117 Ca 0.01 2.10 -0.10 0.00 -0.13 0.00 0.00 55.73 57.61 3kw2 s ARG 117 Cb 0.01 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 3kw2 s ARG 117 CO -0.10 -0.13 0.18 0.42 -0.81 0.00 0.00 175.30 174.86 3kw2 s ILE 118 N -0.84 5.40 -1.24 4.11 1.01 -1.26 -5.01 121.20 123.38 3kw2 s ILE 118 Ca 0.50 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 61.26 3kw2 s ILE 118 Cb -0.38 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3kw2 s ILE 118 CO 0.47 0.49 1.97 0.29 0.00 0.00 0.00 174.94 178.16 3kw2 n LYS 119 N 3.01 2.51 -0.03 2.79 5.02 -1.26 -4.74 118.16 125.45 3kw2 n LYS 119 Ca -0.16 -2.66 -0.07 0.00 -2.02 0.00 0.00 58.31 53.40 3kw2 n LYS 119 Cb 0.53 -3.36 0.12 0.00 -0.02 0.00 0.00 35.03 32.29 3kw2 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kw2 h ALA 120 N 7.47 0.90 -0.64 7.82 0.00 -1.99 -2.08 119.26 130.74 3kw2 h ALA 120 Ca 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kw2 h ALA 120 Cb 0.77 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3kw2 h ALA 120 CO 1.66 0.62 0.34 1.49 0.00 0.00 0.00 179.25 183.36 3kw2 h GLU 121 N 0.54 0.89 -0.46 0.00 4.81 -2.01 -1.56 114.58 116.79 3kw2 h GLU 121 Ca 0.06 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kw2 h GLU 121 Cb 0.80 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 3kw2 h GLU 121 CO 0.07 0.68 0.22 -0.09 -0.73 0.00 0.00 179.01 179.16 3kw2 h ARG 122 N 0.87 0.43 -0.64 1.92 2.43 -1.90 -2.29 114.38 115.20 3kw2 h ARG 122 Ca 0.22 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3kw2 h ARG 122 Cb 0.05 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3kw2 h ARG 122 CO -0.04 0.28 0.06 -0.07 -1.51 0.00 0.00 179.97 178.70 3kw2 h LEU 123 N 0.44 1.05 -0.41 3.80 3.38 -1.08 -1.24 115.31 121.24 3kw2 h LEU 123 Ca 0.20 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kw2 h LEU 123 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3kw2 h LEU 123 CO -0.15 1.06 0.18 -0.08 0.09 0.00 0.00 178.44 179.54 3kw2 h GLU 124 N 0.99 0.36 -0.60 1.13 4.81 -1.12 0.17 114.58 120.32 3kw2 h GLU 124 Ca 0.19 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3kw2 h GLU 124 Cb 0.49 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3kw2 h GLU 124 CO 0.02 0.24 0.36 0.00 -0.73 0.00 0.00 179.01 178.90 3kw2 h ARG 125 N 0.37 0.69 -0.65 1.92 3.08 -0.91 0.14 114.38 119.02 3kw2 h ARG 125 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3kw2 h ARG 125 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3kw2 h ARG 125 CO -0.15 0.46 0.31 0.82 -1.07 0.00 0.00 179.97 180.34 3kw2 h ILE 126 N 0.71 1.22 -0.43 2.04 2.04 -1.01 -0.87 117.51 121.21 3kw2 h ILE 126 Ca 0.24 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3kw2 h ILE 126 Cb 0.04 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3kw2 h ILE 126 CO -0.11 0.26 0.28 0.00 0.00 0.00 0.00 178.15 178.57 3kw2 h ALA 127 N 1.14 0.54 -0.52 1.87 0.00 -0.16 -0.73 119.26 121.41 3kw2 h ALA 127 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kw2 h ALA 127 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kw2 h ALA 127 CO -0.03 0.01 0.34 0.82 0.00 0.00 0.00 179.25 180.39 3kw2 h ILE 128 N 0.57 1.14 -0.82 0.00 2.04 -0.58 -2.67 117.51 117.19 3kw2 h ILE 128 Ca 0.16 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3kw2 h ILE 128 Cb -0.05 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 3kw2 h ILE 128 CO -0.03 0.14 0.54 0.28 0.00 0.00 0.00 178.15 179.08 3kw2 h SER 129 N 0.70 0.95 0.00 1.72 0.02 -0.76 -1.39 113.55 114.78 3kw2 h SER 129 Ca 0.19 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kw2 h SER 129 Cb -0.06 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.24 3kw2 h SER 129 CO -0.04 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 3kw2 n ALA 130 N -2.33 2.11 0.00 3.77 0.00 -0.31 -1.38 120.51 122.37 3kw2 n ALA 130 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3kw2 n ALA 130 Cb 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.93 0.00 -0.21 0.00 5.02 -0.53 -1.10 118.16 122.27 3kw2 n LYS 132 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3kw2 n LYS 132 Cb 0.24 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.33 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 0.64 -0.47 1.97 -0.00 -1.49 -2.65 115.11 113.11 3kw2 h GLN 133 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3kw2 h GLN 133 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.34 3kw2 h GLN 133 CO 0.00 0.42 0.00 -1.13 0.00 0.00 0.00 178.83 178.12 3kw2 n SER 134 N -4.79 2.46 -3.51 -0.69 3.41 -0.26 -4.93 113.62 105.30 3kw2 n SER 134 Ca 0.06 -2.07 -0.18 0.00 -0.26 0.00 0.00 58.87 56.43 3kw2 n SER 134 Cb 0.13 -0.32 0.07 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.70 -3.76 -4.88 1.04 4.77 -1.00 -5.01 117.00 108.85 3kw2 n LEU 135 Ca 0.14 -0.68 -0.21 0.00 -0.03 0.00 0.00 56.01 55.24 3kw2 n LEU 135 Cb 0.41 -2.99 -0.03 0.00 -2.33 0.00 0.00 43.42 38.49 3kw2 n LEU 135 CO 0.11 0.39 -0.02 -0.54 -1.33 0.00 0.00 177.39 175.99 3kw2 s LYS 136 N -5.54 2.66 0.00 3.23 1.02 -1.26 -5.04 119.74 114.80 3kw2 s LYS 136 Ca 0.01 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.61 3kw2 s LYS 136 Cb -0.00 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3kw2 s LYS 136 CO 0.76 -0.07 0.74 0.00 -0.92 0.00 0.00 175.35 175.86 3kw2 n ALA 137 N -1.50 2.28 -2.58 5.17 0.00 -1.26 -4.62 120.51 118.00 3kw2 n ALA 137 Ca 0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 3kw2 n ALA 137 Cb 0.61 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.48 0.11 0.09 0.00 0.15 -1.26 -0.49 113.70 111.82 3kw2 s SER 138 Ca 0.01 -0.73 0.05 0.00 0.70 0.00 0.00 55.95 55.98 3kw2 s SER 138 Cb 0.01 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 3kw2 s SER 138 CO 0.01 -0.77 -0.13 0.72 1.20 0.00 0.00 173.24 174.26 3kw2 s PHE 139 N -3.90 1.25 0.69 3.44 -0.12 -1.26 -5.00 117.98 113.08 3kw2 s PHE 139 Ca 0.09 -0.52 -0.15 0.00 -0.05 0.00 0.00 56.93 56.29 3kw2 s PHE 139 Cb 0.05 -0.68 0.02 0.00 -0.63 0.00 0.00 43.02 41.77 3kw2 s PHE 139 CO -0.08 0.08 1.17 -1.25 -0.05 0.00 0.00 175.22 175.09 3kw2 s PRO 140 N -2.21 2.45 0.21 1.99 0.04 -1.26 -4.97 135.00 131.24 3kw2 s PRO 140 Ca 0.03 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 3kw2 s PRO 140 Cb -0.07 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3kw2 s PRO 140 CO 0.02 -1.57 1.54 0.08 0.04 0.00 0.00 177.00 177.11 3kw2 s VAL 141 N -2.10 2.53 -0.23 -0.36 1.01 -0.85 -4.89 120.40 115.50 3kw2 s VAL 141 Ca 0.71 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 3kw2 s VAL 141 Cb -0.26 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3kw2 s VAL 141 CO 0.43 0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 3kw2 s ILE 142 N 0.62 2.74 0.01 2.22 1.01 -1.26 -0.65 121.20 125.89 3kw2 s ILE 142 Ca 0.66 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3kw2 s ILE 142 Cb -0.44 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3kw2 s ILE 142 CO 0.37 0.28 -0.01 -0.13 0.00 0.00 0.00 174.94 175.45 3kw2 s ARG 143 N 1.32 2.74 0.12 2.79 1.81 -0.07 -5.00 118.95 122.66 3kw2 s ARG 143 Ca 0.01 -0.64 0.09 0.00 -1.72 0.00 0.00 55.73 53.47 3kw2 s ARG 143 Cb -0.16 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 3kw2 s ARG 143 CO -0.06 0.61 -0.22 0.14 -0.68 0.00 0.00 175.30 175.10 3kw2 s VAL 144 N -1.10 1.84 -1.49 3.52 -7.23 -1.26 -0.05 120.40 114.64 3kw2 s VAL 144 Ca 0.20 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 3kw2 s VAL 144 Cb -0.11 -1.69 0.07 0.00 0.56 0.00 0.00 36.38 35.20 3kw2 s VAL 144 CO 0.11 -0.07 0.91 0.59 -0.31 0.00 0.00 175.10 176.33 3kw2 n ASN 145 N 0.93 -5.07 -4.70 4.85 4.13 -0.98 -4.91 115.26 109.51 3kw2 n ASN 145 Ca -0.18 -0.64 -0.40 0.00 1.68 0.00 0.00 54.58 55.03 3kw2 n ASN 145 Cb 0.54 -4.05 -0.04 0.00 -1.54 0.00 0.00 39.78 34.68 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 -3.24 4.99 0.31 2.41 -1.09 -0.66 -4.71 121.20 119.21 3kw2 s ILE 146 Ca 0.59 1.55 -0.29 0.00 -2.23 0.00 0.00 60.65 60.27 3kw2 s ILE 146 Cb -0.29 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.39 3kw2 s ILE 146 CO 0.73 0.19 1.49 -2.84 -1.23 0.00 0.00 174.94 173.28 3kw2 s PRO 147 N 1.12 4.18 0.37 2.79 0.02 -1.26 0.30 135.00 142.52 3kw2 s PRO 147 Ca 0.39 2.47 0.09 0.00 0.02 0.00 0.00 61.00 63.97 3kw2 s PRO 147 Cb -0.18 -3.03 0.82 0.00 0.02 0.00 0.00 34.50 32.13 3kw2 s PRO 147 CO 0.18 -0.50 1.91 0.97 -0.33 0.00 0.00 177.00 179.23 3kw2 h ILE 148 N 3.26 0.89 0.00 2.83 2.10 -1.48 -0.94 117.51 124.18 3kw2 h ILE 148 Ca -0.48 -0.23 -0.08 0.00 1.08 0.00 0.00 64.86 65.15 3kw2 h ILE 148 Cb 1.23 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 3kw2 h ILE 148 CO 0.73 0.12 -0.37 -0.61 -1.08 0.00 0.00 178.15 176.94 3kw2 h GLN 149 N 0.68 0.00 -0.24 2.19 5.75 -1.90 0.12 115.11 121.70 3kw2 h GLN 149 Ca 0.39 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.86 3kw2 h GLN 149 Cb 0.58 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 3kw2 h GLN 149 CO -0.16 0.37 0.02 1.15 -2.65 0.00 0.00 178.83 177.56 3kw2 h THR 150 N 0.00 1.24 -0.27 2.39 2.02 -1.55 0.92 112.91 117.66 3kw2 h THR 150 Ca -0.00 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3kw2 h THR 150 Cb 0.67 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3kw2 h THR 150 CO 0.05 0.26 0.15 0.58 0.37 0.00 0.00 175.52 176.93 3kw2 h VAL 151 N 0.21 1.02 -0.27 3.16 2.07 -0.97 -0.32 116.25 121.14 3kw2 h VAL 151 Ca 0.07 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3kw2 h VAL 151 Cb 0.37 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3kw2 h VAL 151 CO 0.01 0.06 0.11 0.40 0.02 0.00 0.00 177.57 178.16 3kw2 h ILE 152 N 0.31 0.95 0.04 4.57 2.04 -0.69 -3.03 117.51 121.70 3kw2 h ILE 152 Ca 0.11 -0.08 -0.21 0.00 1.00 0.00 0.00 64.86 65.67 3kw2 h ILE 152 Cb 0.01 0.69 0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3kw2 h ILE 152 CO -0.06 0.04 -0.86 0.00 0.00 0.00 0.00 178.15 177.28 3kw2 h ALA 153 N 1.16 0.05 -0.01 1.87 0.00 -0.61 -3.38 119.26 118.34 3kw2 h ALA 153 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kw2 h ALA 153 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kw2 h ALA 153 CO -0.11 0.50 -0.67 -0.25 0.00 0.00 0.00 179.25 178.73 3kw2 n ASP 154 N -4.03 1.49 -4.70 0.00 8.00 -0.15 -4.90 116.55 112.26 3kw2 n ASP 154 Ca -0.12 -1.24 -0.42 0.00 0.71 0.00 0.00 54.79 53.72 3kw2 n ASP 154 Cb 0.80 0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 42.59 3kw2 n ASP 154 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kw2 s THR 155 N -2.58 3.40 0.44 -3.53 2.01 -1.14 -4.95 115.64 109.29 3kw2 s THR 155 Ca 0.13 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.76 3kw2 s THR 155 Cb 0.16 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 3kw2 s THR 155 CO 0.66 0.02 1.04 -2.65 -0.69 0.00 0.00 174.62 172.99 3kw2 n PRO 156 N 5.07 1.38 0.18 4.92 -0.02 -1.26 -4.89 135.00 140.37 3kw2 n PRO 156 Ca 0.14 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 3kw2 n PRO 156 Cb 0.42 -2.10 0.20 0.00 -0.02 0.00 0.00 33.50 32.01 3kw2 n PRO 156 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kw2 h LYS 157 N 1.51 0.00 -0.05 -0.52 1.79 -1.96 -2.31 116.57 115.03 3kw2 h LYS 157 Ca -0.45 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.03 3kw2 h LYS 157 Cb 1.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.98 3kw2 h LYS 157 CO 0.57 0.36 0.05 0.00 -1.08 0.00 0.00 179.45 179.34 3kw2 h ALA 158 N 1.64 1.80 -2.67 3.86 0.00 -1.99 -3.43 119.26 118.47 3kw2 h ALA 158 Ca -0.00 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3kw2 h ALA 158 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3kw2 h ALA 158 CO 0.05 -0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.50 3kw2 s ALA 159 N -4.83 3.34 0.13 0.00 0.00 -0.87 -4.61 121.76 114.92 3kw2 s ALA 159 Ca -0.05 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 3kw2 s ALA 159 Cb 0.16 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 3kw2 s ALA 159 CO 0.61 0.12 1.57 0.08 0.00 0.00 0.00 175.76 178.13 3kw2 s VAL 160 N -0.57 2.86 -0.17 0.00 1.01 -0.15 -4.93 120.40 118.45 3kw2 s VAL 160 Ca 0.41 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 3kw2 s VAL 160 Cb -0.23 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.84 3kw2 s VAL 160 CO 0.28 0.03 -0.08 -0.13 0.00 0.00 0.00 175.10 175.21 3kw2 s ARG 161 N 1.60 1.68 -0.07 2.72 3.00 -1.26 -1.42 118.95 125.21 3kw2 s ARG 161 Ca 0.70 -0.61 0.03 0.00 0.00 0.00 0.00 55.73 55.85 3kw2 s ARG 161 Cb -0.41 -2.12 -0.02 0.00 0.00 0.00 0.00 34.95 32.39 3kw2 s ARG 161 CO 0.31 -0.41 -0.15 -0.51 0.00 0.00 0.00 175.30 174.55 3kw2 s LEU 162 N 1.55 2.69 -0.22 2.53 1.43 -0.51 -0.28 118.68 125.87 3kw2 s LEU 162 Ca 0.01 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3kw2 s LEU 162 Cb -0.15 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3kw2 s LEU 162 CO -0.08 0.30 -0.11 -0.51 0.23 0.00 0.00 176.35 176.18 3kw2 s ILE 163 N -0.46 2.58 -0.12 -0.59 2.07 -0.14 -0.61 121.20 123.93 3kw2 s ILE 163 Ca 0.06 -1.01 -0.20 0.00 -1.41 0.00 0.00 60.65 58.09 3kw2 s ILE 163 Cb -0.12 -2.25 -0.04 0.00 0.13 0.00 0.00 42.46 40.18 3kw2 s ILE 163 CO 0.02 0.31 0.56 0.00 -1.91 0.00 0.00 174.94 173.92 3kw2 s ALA 164 N 1.30 3.44 0.03 1.50 0.00 -0.38 -1.27 121.76 126.40 3kw2 s ALA 164 Ca 0.01 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 3kw2 s ALA 164 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 3kw2 s ALA 164 CO -0.07 -0.12 0.14 1.52 0.00 0.00 0.00 175.76 177.23 3kw2 s TYR 165 N 0.88 0.12 0.00 0.00 -0.85 -1.14 -4.39 117.35 111.98 3kw2 s TYR 165 Ca 0.30 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3kw2 s TYR 165 Cb -0.16 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.09 3kw2 s TYR 165 CO 0.13 -0.38 0.00 1.55 -1.52 0.00 0.00 175.55 175.32 3kw2 n VAL 166 N 0.82 0.00 -1.57 -3.49 3.14 -1.26 -4.68 118.33 111.30 3kw2 n VAL 166 Ca -0.19 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.86 3kw2 n VAL 166 Cb 0.58 -0.36 0.07 0.00 -1.06 0.00 0.00 33.84 33.07 3kw2 n VAL 166 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 3kw2 s ASP 167 N -3.54 4.79 0.09 6.55 1.47 -1.26 -4.79 116.67 119.98 3kw2 s ASP 167 Ca 0.00 2.00 -0.28 0.00 1.18 0.00 0.00 52.55 55.45 3kw2 s ASP 167 Cb 0.00 -2.55 -0.15 0.00 -0.34 0.00 0.00 42.92 39.88 3kw2 s ASP 167 CO 0.00 -1.85 1.66 -0.33 0.68 0.00 0.00 175.17 175.34 3kw2 h GLU 168 N -0.34 -0.50 -0.87 2.11 3.07 -2.00 -2.46 114.58 113.59 3kw2 h GLU 168 Ca -0.46 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.54 3kw2 h GLU 168 Cb 1.25 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 29.19 3kw2 h GLU 168 CO 0.52 -0.33 0.51 0.00 -1.40 0.00 0.00 179.01 178.31 3kw2 h ALA 169 N 0.13 1.27 0.02 3.43 0.00 -2.02 -2.86 119.26 119.23 3kw2 h ALA 169 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kw2 h ALA 169 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kw2 h ALA 169 CO 0.02 0.11 -0.01 0.28 0.00 0.00 0.00 179.25 179.66 3kw2 h VAL 170 N 0.83 1.23 -3.80 0.00 2.07 -1.89 -3.50 116.25 111.19 3kw2 h VAL 170 Ca 0.43 -0.76 -0.56 0.00 0.82 0.00 0.00 66.70 66.62 3kw2 h VAL 170 Cb 0.42 1.74 0.16 0.00 -1.52 0.00 0.00 31.29 32.09 3kw2 h VAL 170 CO -0.26 0.20 0.26 0.54 0.02 0.00 0.00 177.57 178.32 3kw2 n ARG 171 N -4.94 0.91 -4.14 1.57 1.74 -0.94 -4.99 116.66 105.87 3kw2 n ARG 171 Ca -0.08 0.36 -0.28 0.00 -0.77 0.00 0.00 57.85 57.08 3kw2 n ARG 171 Cb 0.18 -2.31 -0.07 0.00 -1.02 0.00 0.00 32.46 29.25 3kw2 n ARG 171 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kw2 s GLY 177 N -1.36 1.80 0.14 -0.13 0.00 -1.26 -4.98 107.32 101.53 3kw2 s GLY 177 Ca 0.79 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 3kw2 s GLY 177 CO 0.44 -1.23 0.48 0.50 0.00 0.00 0.00 173.10 173.30 3kw2 s ARG 178 N -2.77 3.83 0.00 2.90 0.52 -1.26 -4.84 118.95 117.33 3kw2 s ARG 178 Ca 0.28 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 3kw2 s ARG 178 Cb -0.10 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3kw2 s ARG 178 CO 0.20 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.40 3kw2 n GLY 179 N 0.58 2.35 3.58 -3.53 0.00 -0.97 -4.82 105.19 102.38 3kw2 n GLY 179 Ca -0.05 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 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 2.01 2.54 0.58 1.61 1.51 -1.26 -0.85 117.35 123.48 3kw2 s TYR 180 Ca 0.00 -0.26 0.29 0.00 -1.01 0.00 0.00 57.07 56.08 3kw2 s TYR 180 Cb 0.00 -1.12 1.49 0.00 -0.11 0.00 0.00 41.96 42.21 3kw2 s TYR 180 CO 0.00 0.65 1.93 -1.35 -1.11 0.00 0.00 175.55 175.67 3kw2 h PRO 181 N 2.08 0.00 0.00 -1.71 0.11 -1.95 0.22 132.00 130.75 3kw2 h PRO 181 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.60 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.05 3kw2 h SER 182 N 0.00 0.00 0.59 -2.05 4.64 -1.95 -1.06 113.55 113.73 3kw2 h SER 182 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3kw2 h SER 182 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kw2 h SER 182 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3kw2 n ASP 183 N -2.57 0.00 0.00 4.97 8.00 0.78 -4.29 116.55 123.44 3kw2 n ASP 183 Ca 0.02 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.65 3kw2 n ASP 183 Cb 0.31 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3kw2 n ASP 183 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kw2 n PHE 184 N -1.36 0.00 -3.74 1.24 3.72 -0.98 -5.02 117.46 111.32 3kw2 n PHE 184 Ca 0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 3kw2 n PHE 184 Cb 0.23 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.37 3.45 0.06 1.38 5.04 -0.44 -4.96 117.35 120.51 3kw2 s TYR 185 Ca 0.00 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 3kw2 s TYR 185 Cb 0.00 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 3kw2 s TYR 185 CO 0.00 0.37 -0.10 -1.01 -1.34 0.00 0.00 175.55 173.47 3kw2 s HIS 186 N 0.10 0.89 0.67 4.97 3.76 -1.26 -4.76 115.29 119.66 3kw2 s HIS 186 Ca 0.10 -0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 54.33 3kw2 s HIS 186 Cb -0.11 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.06 3kw2 s HIS 186 CO -0.00 -0.03 1.28 0.08 -0.85 0.00 0.00 174.74 175.22 3kw2 s VAL 187 N -1.46 2.05 0.00 -0.90 1.01 -1.26 -3.42 120.40 116.41 3kw2 s VAL 187 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3kw2 s VAL 187 Cb -0.09 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3kw2 s VAL 187 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3kw2 n GLY 188 N 0.84 2.52 3.54 4.51 0.00 -1.26 -5.08 105.19 110.25 3kw2 n GLY 188 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.35 2.17 0.77 1.61 -0.21 -1.22 -4.95 119.66 117.48 3kw2 s GLN 189 Ca 0.00 -0.96 -0.11 0.00 0.02 0.00 0.00 55.36 54.31 3kw2 s GLN 189 Cb 0.00 -2.30 0.06 0.00 1.00 0.00 0.00 33.01 31.77 3kw2 s GLN 189 CO 0.00 0.54 1.10 -0.51 -2.12 0.00 0.00 175.29 174.30 3kw2 s ASP 190 N -1.81 4.41 -0.05 5.90 1.01 -1.26 -4.65 116.67 120.21 3kw2 s ASP 190 Ca 0.18 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.31 3kw2 s ASP 190 Cb -0.11 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.31 3kw2 s ASP 190 CO 0.10 -2.10 0.13 0.54 0.21 0.00 0.00 175.17 174.05 3kw2 s VAL 191 N -2.76 -0.01 -0.05 -1.27 0.11 0.09 -0.98 120.40 115.52 3kw2 s VAL 191 Ca 0.63 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 3kw2 s VAL 191 Cb -0.19 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 3kw2 s VAL 191 CO 0.54 0.02 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.96 3kw2 s LEU 192 N 0.36 1.79 -0.12 2.54 0.20 -0.51 -1.21 118.68 121.73 3kw2 s LEU 192 Ca -0.02 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.50 3kw2 s LEU 192 Cb -0.04 -0.87 -0.00 0.00 -0.43 0.00 0.00 46.19 44.85 3kw2 s LEU 192 CO -0.01 0.09 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.30 3kw2 s ILE 193 N 0.34 2.31 -0.26 6.68 1.01 -0.50 -1.43 121.20 129.35 3kw2 s ILE 193 Ca -0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3kw2 s ILE 193 Cb -0.13 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 3kw2 s ILE 193 CO 0.03 0.55 0.23 -0.22 0.00 0.00 0.00 174.94 175.52 3kw2 s LEU 194 N 0.52 4.07 -0.08 2.97 2.96 0.22 -1.27 118.68 128.06 3kw2 s LEU 194 Ca -0.13 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3kw2 s LEU 194 Cb -0.17 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.33 3kw2 s LEU 194 CO 0.05 -0.04 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.23 3kw2 s ILE 195 N 1.54 1.58 0.69 6.68 1.01 0.97 -1.24 121.20 132.43 3kw2 s ILE 195 Ca 0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3kw2 s ILE 195 Cb -0.15 -1.39 0.10 0.00 0.01 0.00 0.00 42.46 41.03 3kw2 s ILE 195 CO 0.08 0.45 0.97 -0.83 0.00 0.00 0.00 174.94 175.61 3kw2 s GLY 196 N 0.44 1.77 1.05 6.18 0.00 -1.26 -1.63 107.32 113.87 3kw2 s GLY 196 Ca -0.15 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 42.92 3kw2 s GLY 196 CO 0.06 -1.00 1.12 2.56 0.00 0.00 0.00 173.10 175.83 3kw2 s PRO 197 N -5.11 -0.02 0.30 2.90 0.04 -1.26 -4.50 135.00 127.33 3kw2 s PRO 197 Ca 0.64 0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 3kw2 s PRO 197 Cb -0.07 -1.71 0.64 0.00 0.04 0.00 0.00 34.50 33.40 3kw2 s PRO 197 CO 0.43 -2.97 1.57 0.93 0.04 0.00 0.00 177.00 177.01 3kw2 h GLU 198 N -2.05 0.01 0.00 4.56 4.39 -1.93 0.35 114.58 119.90 3kw2 h GLU 198 Ca -0.50 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3kw2 h GLU 198 Cb 1.31 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3kw2 h GLU 198 CO 0.50 0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 3kw2 n GLY 199 N -1.53 -0.94 0.63 -3.84 0.00 -1.26 -5.01 105.19 93.23 3kw2 n GLY 199 Ca 0.20 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.20 -3.77 -4.77 1.61 -0.08 0.12 -4.82 116.55 103.64 3kw2 n ASP 200 Ca 0.13 0.45 -0.39 0.00 -1.51 0.00 0.00 54.79 53.47 3kw2 n ASP 200 Cb 0.15 -2.03 -0.00 0.00 2.34 0.00 0.00 41.12 41.58 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 -2.56 2.78 0.76 -0.67 0.08 -1.26 -4.58 117.98 112.53 3kw2 s PHE 201 Ca 0.00 1.45 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 3kw2 s PHE 201 Cb 0.00 -3.59 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 3kw2 s PHE 201 CO 0.00 -1.99 1.09 -1.54 -0.10 0.00 0.00 175.22 172.68 3kw2 s SER 202 N -0.97 4.63 0.22 1.36 1.04 -1.26 -4.87 113.70 113.85 3kw2 s SER 202 Ca 0.61 1.79 -0.09 0.00 0.48 0.00 0.00 55.95 58.74 3kw2 s SER 202 Cb -0.35 -2.52 0.35 0.00 0.10 0.00 0.00 66.02 63.60 3kw2 s SER 202 CO 0.44 -1.95 1.68 -0.65 0.98 0.00 0.00 173.24 173.74 3kw2 h PRO 203 N -1.07 0.20 0.00 4.02 0.11 -1.96 -2.29 132.00 131.01 3kw2 h PRO 203 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3kw2 h PRO 203 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kw2 h PRO 203 CO 0.52 0.13 -0.25 0.66 -0.21 0.00 0.00 178.00 178.85 3kw2 h SER 204 N 0.20 0.00 -0.26 -2.05 4.64 -1.98 0.01 113.55 114.10 3kw2 h SER 204 Ca 0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 3kw2 h SER 204 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3kw2 h SER 204 CO -0.49 0.25 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.25 3kw2 h GLU 205 N 0.00 0.56 0.42 4.77 5.08 -1.80 0.02 114.58 123.62 3kw2 h GLU 205 Ca -0.00 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3kw2 h GLU 205 Cb 0.48 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3kw2 h GLU 205 CO 0.03 0.82 -0.33 0.28 -1.00 0.00 0.00 179.01 178.82 3kw2 h VAL 206 N 0.29 0.32 -0.51 3.13 2.07 -0.88 -0.23 116.25 120.44 3kw2 h VAL 206 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 3kw2 h VAL 206 Cb 0.67 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 3kw2 h VAL 206 CO 0.04 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 177.05 3kw2 h GLU 207 N -0.75 -0.13 -0.36 1.57 4.39 -1.01 0.33 114.58 118.63 3kw2 h GLU 207 Ca -0.04 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3kw2 h GLU 207 Cb 0.64 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 3kw2 h GLU 207 CO -0.01 -0.09 0.12 1.03 -1.16 0.00 0.00 179.01 178.91 3kw2 h SER 208 N -0.14 0.12 -0.18 1.42 0.87 -0.79 0.45 113.55 115.30 3kw2 h SER 208 Ca 0.23 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3kw2 h SER 208 Cb 0.50 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3kw2 h SER 208 CO -0.59 0.11 0.11 0.00 -0.53 0.00 0.00 176.83 175.92 3kw2 h ALA 209 N 1.23 0.23 -0.90 6.23 0.00 -0.12 -1.48 119.26 124.45 3kw2 h ALA 209 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kw2 h ALA 209 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kw2 h ALA 209 CO -0.17 -0.26 0.52 -0.07 0.00 0.00 0.00 179.25 179.27 3kw2 h LEU 210 N 0.21 1.10 -1.10 0.00 -0.00 -0.06 -1.28 115.31 114.19 3kw2 h LEU 210 Ca 0.06 -0.08 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 3kw2 h LEU 210 Cb 0.03 -0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 40.34 3kw2 h LEU 210 CO -0.01 0.86 0.61 -0.07 -0.00 0.00 0.00 178.44 179.83 3kw2 h LEU 211 N 1.25 0.93 -0.05 1.67 3.38 0.30 -2.70 115.31 120.09 3kw2 h LEU 211 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3kw2 h LEU 211 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3kw2 h LEU 211 CO -0.06 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3kw2 n ALA 212 N -2.38 2.21 0.00 1.53 0.00 -0.59 -4.89 120.51 116.39 3kw2 n ALA 212 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kw2 n ALA 212 Cb 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.19 1.31 3.78 0.00 0.00 -0.88 -5.05 105.19 105.56 3kw2 n GLY 213 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 3.04 -0.18 1.61 0.40 -0.59 -4.73 117.98 115.53 3kw2 s PHE 214 Ca 0.00 1.59 -0.09 0.00 -0.60 0.00 0.00 56.93 57.83 3kw2 s PHE 214 Cb 0.00 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 3kw2 s PHE 214 CO 0.00 -0.98 0.11 0.00 0.70 0.00 0.00 175.22 175.05 3kw2 s ALA 215 N -1.73 3.66 -0.08 5.36 0.00 0.62 -4.35 121.76 125.23 3kw2 s ALA 215 Ca 0.63 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 3kw2 s ALA 215 Cb -0.22 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 3kw2 s ALA 215 CO 0.27 0.26 1.17 -1.25 0.00 0.00 0.00 175.76 176.21 3kw2 s PRO 216 N 0.06 4.35 0.13 0.00 0.04 -1.26 -0.97 135.00 137.35 3kw2 s PRO 216 Ca 0.09 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3kw2 s PRO 216 Cb -0.11 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 3kw2 s PRO 216 CO -0.00 -0.46 -0.22 0.14 0.04 0.00 0.00 177.00 176.50 3kw2 s VAL 217 N 2.34 1.92 -0.02 -0.36 -7.23 -0.40 -2.29 120.40 114.37 3kw2 s VAL 217 Ca 0.54 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3kw2 s VAL 217 Cb -0.23 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3kw2 s VAL 217 CO 0.20 -0.07 0.15 -0.55 -0.31 0.00 0.00 175.10 174.51 3kw2 s SER 218 N -2.14 6.16 0.00 4.85 0.15 -0.03 -2.87 113.70 119.82 3kw2 s SER 218 Ca 0.11 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.30 3kw2 s SER 218 Cb -0.09 -1.89 0.17 0.00 -1.71 0.00 0.00 66.02 62.50 3kw2 s SER 218 CO 0.06 0.29 1.22 0.18 1.20 0.00 0.00 173.24 176.18 3kw2 n LEU 219 N 1.16 2.30 0.00 3.45 4.77 -1.26 -4.23 117.00 123.19 3kw2 n LEU 219 Ca -0.13 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3kw2 n LEU 219 Cb 0.53 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kw2 n LEU 219 CO 0.40 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3kw2 n GLY 220 N 1.38 0.00 0.06 -0.72 0.00 -1.26 -4.96 105.19 99.68 3kw2 n GLY 220 Ca 0.12 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.09 0.47 -2.51 1.61 1.02 -1.26 -4.95 120.64 113.93 3kw2 n GLU 221 Ca 0.00 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3kw2 n GLU 221 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 3kw2 n GLU 221 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3kw2 s SER 222 N -4.54 6.32 -0.32 1.62 0.01 -1.26 -5.03 113.70 110.51 3kw2 s SER 222 Ca 0.00 1.97 -0.23 0.00 1.31 0.00 0.00 55.95 59.00 3kw2 s SER 222 Cb 0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3kw2 s SER 222 CO 0.81 -0.80 0.79 -0.13 0.41 0.00 0.00 173.24 174.32 3kw2 s ARG 223 N -3.16 3.93 -0.08 12.44 1.81 -1.26 -5.02 118.95 127.61 3kw2 s ARG 223 Ca 0.67 0.54 0.01 0.00 -1.72 0.00 0.00 55.73 55.23 3kw2 s ARG 223 Cb -0.18 -3.74 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 3kw2 s ARG 223 CO 0.21 -0.71 -0.08 -0.51 -0.68 0.00 0.00 175.30 173.54 3kw2 s LEU 224 N 2.98 3.09 0.67 2.53 1.43 -1.26 -5.11 118.68 123.01 3kw2 s LEU 224 Ca 0.32 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 3kw2 s LEU 224 Cb -0.14 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3kw2 s LEU 224 CO 0.13 0.34 1.10 0.54 0.23 0.00 0.00 176.35 178.68 3kw2 n ARG 225 N 2.40 0.80 -0.30 1.70 1.74 -1.26 -4.74 116.66 117.00 3kw2 n ARG 225 Ca -0.18 0.33 0.04 0.00 -0.77 0.00 0.00 57.85 57.27 3kw2 n ARG 225 Cb 0.53 -2.33 0.12 0.00 -1.02 0.00 0.00 32.46 29.76 3kw2 n ARG 225 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3kw2 h THR 226 N 0.16 0.15 -0.11 0.55 2.02 -1.94 0.38 112.91 114.12 3kw2 h THR 226 Ca -0.49 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 3kw2 h THR 226 Cb 1.34 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3kw2 h THR 226 CO 0.50 0.00 -0.27 1.05 0.37 0.00 0.00 175.52 177.17 3kw2 h GLU 227 N 0.00 0.20 -0.08 6.66 9.09 -1.91 -1.96 114.58 126.59 3kw2 h GLU 227 Ca 0.42 -0.07 -0.23 0.00 0.05 0.00 0.00 59.36 59.54 3kw2 h GLU 227 Cb 0.66 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.75 3kw2 h GLU 227 CO -0.88 0.46 -0.86 1.15 0.05 0.00 0.00 179.01 178.93 3kw2 h THR 228 N 0.18 1.32 -0.35 -1.06 2.02 -1.67 -2.76 112.91 110.58 3kw2 h THR 228 Ca 0.03 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 64.99 3kw2 h THR 228 Cb 0.58 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 3kw2 h THR 228 CO 0.04 0.66 -0.06 0.00 0.37 0.00 0.00 175.52 176.54 3kw2 h ALA 229 N 0.63 1.25 -0.13 6.16 0.00 -0.48 0.20 119.26 126.89 3kw2 h ALA 229 Ca -0.07 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3kw2 h ALA 229 Cb 1.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3kw2 h ALA 229 CO 0.16 0.50 0.06 0.78 0.00 0.00 0.00 179.25 180.75 3kw2 h GLY 230 N 0.91 0.16 0.89 0.00 0.00 -1.19 0.35 103.07 104.19 3kw2 h GLY 230 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 3kw2 h GLY 230 CO 0.02 0.04 0.00 1.41 0.00 0.00 0.00 176.54 178.01 3kw2 h LEU 231 N 0.13 0.54 -0.67 3.11 3.38 -1.13 -2.44 115.31 118.23 3kw2 h LEU 231 Ca 0.05 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3kw2 h LEU 231 Cb 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3kw2 h LEU 231 CO -0.04 0.71 0.42 0.58 0.09 0.00 0.00 178.44 180.21 3kw2 h VAL 232 N 0.35 1.18 -0.47 1.22 2.07 -0.83 -0.04 116.25 119.74 3kw2 h VAL 232 Ca 0.09 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3kw2 h VAL 232 Cb 0.43 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3kw2 h VAL 232 CO 0.02 0.19 0.17 0.00 0.02 0.00 0.00 177.57 177.96 3kw2 h ALA 233 N 1.22 0.61 -0.46 1.67 0.00 -0.83 0.73 119.26 122.21 3kw2 h ALA 233 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kw2 h ALA 233 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kw2 h ALA 233 CO -0.05 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.66 3kw2 h GLN 235 N 0.59 0.89 -0.65 0.00 5.75 -0.65 -2.48 115.11 118.56 3kw2 h GLN 235 Ca 0.16 -0.23 0.12 0.00 -0.15 0.00 0.00 58.65 58.55 3kw2 h GLN 235 Cb 0.11 -0.11 -0.12 0.00 1.07 0.00 0.00 27.48 28.42 3kw2 h GLN 235 CO -0.02 0.85 -0.26 -1.49 -2.65 0.00 0.00 178.83 175.26 3kw2 h TRP 236 N 0.83 -0.68 -0.18 3.99 4.06 -0.66 0.19 115.95 123.50 3kw2 h TRP 236 Ca 0.17 0.07 0.03 0.00 2.06 0.00 0.00 58.89 61.22 3kw2 h TRP 236 Cb 0.42 0.40 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 3kw2 h TRP 236 CO 0.03 -0.35 -0.01 0.82 -3.56 0.00 0.00 178.44 175.37 3kw2 h ILE 237 N -0.09 0.86 -0.80 1.49 1.08 -1.31 -0.54 117.51 118.20 3kw2 h ILE 237 Ca 0.28 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 3kw2 h ILE 237 Cb 0.54 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 3kw2 h ILE 237 CO -0.71 0.01 0.47 0.45 -0.69 0.00 0.00 178.15 177.69 3kw2 h HIS 238 N 0.05 1.07 -0.49 1.37 3.86 -0.90 -0.98 115.15 119.14 3kw2 h HIS 238 Ca 0.09 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3kw2 h HIS 238 Cb 0.11 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3kw2 h HIS 238 CO -0.17 0.72 0.31 1.15 0.86 0.00 0.00 177.93 180.80 3kw2 h THR 239 N 1.10 1.09 -0.65 2.45 2.02 -0.45 -1.08 112.91 117.40 3kw2 h THR 239 Ca 0.29 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 3kw2 h THR 239 Cb -0.02 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3kw2 h THR 239 CO -0.05 0.11 0.25 -0.07 0.37 0.00 0.00 175.52 176.14 3kw2 h LEU 240 N 0.62 0.87 -0.95 2.58 3.38 -0.67 -1.12 115.31 120.02 3kw2 h LEU 240 Ca 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kw2 h LEU 240 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kw2 h LEU 240 CO -0.06 0.78 -0.23 1.56 0.09 0.00 0.00 178.44 180.58 3kw2 h GLN 241 N 0.93 0.49 -0.06 1.13 4.20 -0.65 -3.05 115.11 118.11 3kw2 h GLN 241 Ca 0.22 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3kw2 h GLN 241 Cb 0.19 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.94 3kw2 h GLN 241 CO -0.02 0.70 -0.42 0.00 -0.67 0.00 0.00 178.83 178.41 3kw2 h ALA 242 N 1.31 0.14 -0.95 3.87 0.00 -0.61 -2.96 119.26 120.06 3kw2 h ALA 242 Ca 0.07 -0.49 0.26 0.00 0.00 0.00 0.00 54.91 54.75 3kw2 h ALA 242 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3kw2 h ALA 242 CO 0.05 0.27 0.67 0.00 0.00 0.00 0.00 179.25 180.24 3kw2 n TYR 244 N -4.33 0.87 1.13 0.00 4.11 -1.13 -5.12 117.16 112.69 3kw2 n TYR 244 Ca 0.20 -0.58 0.09 0.00 -0.00 0.00 0.00 57.90 57.61 3kw2 n TYR 244 Cb 0.95 -0.12 0.54 0.00 -0.00 0.00 0.00 39.34 40.71 3kw2 n TYR 244 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40