#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkj s GLU 2 N 0.00 4.16 -0.11 -0.78 2.56 -1.26 -2.07 118.70 121.20 1gkj s GLU 2 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 54.97 55.36 1gkj s GLU 2 Cb 0.00 -3.34 0.04 0.00 2.00 0.00 0.00 34.13 32.82 1gkj s GLU 2 CO 0.00 0.40 0.00 -1.17 -0.56 0.00 0.00 175.26 173.93 1gkj s LEU 3 N -0.13 0.82 -0.60 2.70 2.96 0.91 -4.97 118.68 120.37 1gkj s LEU 3 Ca 0.24 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 1gkj s LEU 3 Cb -0.16 -0.53 0.12 0.00 0.50 0.00 0.00 46.19 46.13 1gkj s LEU 3 CO 0.11 -0.22 0.65 -0.89 -1.32 0.00 0.00 176.35 174.68 1gkj s THR 4 N 1.91 5.01 -0.15 3.68 2.01 -1.26 -1.20 115.64 125.64 1gkj s THR 4 Ca 0.03 -1.29 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 1gkj s THR 4 Cb -0.14 -4.44 -0.01 0.00 0.01 0.00 0.00 72.50 67.92 1gkj s THR 4 CO -0.06 -1.04 1.12 -0.22 -0.69 0.00 0.00 174.62 173.73 1gkj s LEU 5 N 2.13 4.19 -0.59 4.42 2.96 0.04 -4.61 118.68 127.22 1gkj s LEU 5 Ca 0.09 1.59 -0.21 0.00 -0.22 0.00 0.00 54.13 55.38 1gkj s LEU 5 Cb -0.25 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 42.97 1gkj s LEU 5 CO 0.04 -0.62 0.79 -0.54 -1.32 0.00 0.00 176.35 174.69 1gkj s LYS 6 N 2.76 3.11 0.26 1.98 1.02 -1.26 -0.68 119.74 126.93 1gkj s LYS 6 Ca 0.50 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1gkj s LYS 6 Cb -0.19 -4.20 -0.13 0.00 -0.52 0.00 0.00 37.83 32.79 1gkj s LYS 6 CO 0.14 -1.54 1.35 -2.30 -0.92 0.00 0.00 175.35 172.08 1gkj n PRO 7 N 6.81 1.96 -0.63 -1.68 -0.02 -1.26 -2.09 135.00 138.10 1gkj n PRO 7 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1gkj n PRO 7 Cb 0.44 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1gkj n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gkj n GLY 8 N 1.81 0.74 0.30 -1.23 0.00 -1.26 -4.84 105.19 100.71 1gkj n GLY 8 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1gkj n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gkj n THR 9 N -2.36 1.18 -1.89 2.61 -2.24 -0.89 -4.86 114.28 105.83 1gkj n THR 9 Ca 0.00 -1.19 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 1gkj n THR 9 Cb 0.00 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 1gkj n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gkj s LEU 10 N -1.32 4.37 0.44 3.22 1.43 -1.26 -5.00 118.68 120.56 1gkj s LEU 10 Ca 0.15 2.74 -0.03 0.00 -1.03 0.00 0.00 54.13 55.95 1gkj s LEU 10 Cb 0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1gkj s LEU 10 CO 0.07 -0.83 0.71 0.42 0.23 0.00 0.00 176.35 176.94 1gkj s THR 11 N 0.59 4.97 0.32 5.49 -4.23 -1.26 -4.90 115.64 116.62 1gkj s THR 11 Ca 0.66 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1gkj s THR 11 Cb -0.45 -3.86 0.21 0.00 1.34 0.00 0.00 72.50 69.74 1gkj s THR 11 CO 0.38 -0.75 1.93 -0.07 -0.54 0.00 0.00 174.62 175.57 1gkj h LEU 12 N 0.42 0.74 -0.70 4.79 3.38 -1.93 -1.18 115.31 120.82 1gkj h LEU 12 Ca -0.48 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 1gkj h LEU 12 Cb 1.21 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1gkj h LEU 12 CO 0.62 0.63 0.19 0.00 0.09 0.00 0.00 178.44 179.96 1gkj h ALA 13 N 1.49 0.93 -0.81 1.53 0.00 -1.81 -0.73 119.26 119.86 1gkj h ALA 13 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1gkj h ALA 13 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1gkj h ALA 13 CO -0.03 0.64 0.39 1.96 0.00 0.00 0.00 179.25 182.21 1gkj h GLN 14 N 1.06 1.15 -0.53 0.00 4.20 -1.76 -2.01 115.11 117.21 1gkj h GLN 14 Ca 0.22 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1gkj h GLN 14 Cb 0.35 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1gkj h GLN 14 CO -0.00 0.88 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.90 1gkj h LEU 15 N 1.14 0.98 -0.98 1.46 3.38 -0.75 0.51 115.31 121.05 1gkj h LEU 15 Ca 0.28 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1gkj h LEU 15 Cb 0.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1gkj h LEU 15 CO -0.04 1.09 0.63 -0.09 0.09 0.00 0.00 178.44 180.12 1gkj h ARG 16 N 0.86 1.09 -0.45 1.13 2.43 -0.91 -0.41 114.38 118.11 1gkj h ARG 16 Ca 0.14 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1gkj h ARG 16 Cb 0.62 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1gkj h ARG 16 CO 0.04 0.72 0.07 0.00 -1.51 0.00 0.00 179.97 179.29 1gkj h ALA 17 N 1.45 0.60 -0.78 2.80 0.00 -0.58 0.36 119.26 123.11 1gkj h ALA 17 Ca 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gkj h ALA 17 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gkj h ALA 17 CO -0.18 0.32 0.33 0.82 0.00 0.00 0.00 179.25 180.54 1gkj h ILE 18 N 0.61 1.26 -0.29 0.00 2.04 -0.50 -1.93 117.51 118.70 1gkj h ILE 18 Ca 0.14 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1gkj h ILE 18 Cb 0.39 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1gkj h ILE 18 CO 0.01 0.32 -0.13 -0.74 0.00 0.00 0.00 178.15 177.62 1gkj h HIS 19 N 1.12 0.53 0.00 1.37 2.76 -0.81 -3.25 115.15 116.88 1gkj h HIS 19 Ca 0.26 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1gkj h HIS 19 Cb 0.20 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1gkj h HIS 19 CO 0.02 0.60 -0.97 0.00 -1.30 0.00 0.00 177.93 176.28 1gkj h ALA 20 N 1.42 0.61 -2.74 5.26 0.00 -0.37 -3.46 119.26 119.98 1gkj h ALA 20 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1gkj h ALA 20 Cb 0.49 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1gkj h ALA 20 CO 0.03 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.72 1gkj s ALA 21 N -3.20 -1.52 0.71 0.00 0.00 -0.78 -5.09 121.76 111.89 1gkj s ALA 21 Ca -0.00 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 1gkj s ALA 21 Cb 0.09 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1gkj s ALA 21 CO 0.78 -0.65 0.99 -2.30 0.00 0.00 0.00 175.76 174.58 1gkj n PRO 22 N -0.04 0.56 -4.21 0.00 -0.02 -1.26 -4.48 135.00 125.55 1gkj n PRO 22 Ca -0.17 0.25 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 1gkj n PRO 22 Cb 0.63 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.76 1gkj n PRO 22 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1gkj s VAL 23 N -1.78 1.07 -0.11 -1.45 -7.23 -1.26 -3.80 120.40 105.84 1gkj s VAL 23 Ca 0.74 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1gkj s VAL 23 Cb -0.35 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.08 1gkj s VAL 23 CO 0.49 -0.59 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.95 1gkj s ARG 24 N -3.04 2.21 0.05 4.82 6.06 -0.88 -4.33 118.95 123.84 1gkj s ARG 24 Ca 0.09 -0.56 -0.02 0.00 -2.50 0.00 0.00 55.73 52.74 1gkj s ARG 24 Cb -0.02 -1.89 -0.03 0.00 0.06 0.00 0.00 34.95 33.07 1gkj s ARG 24 CO 0.01 -0.08 0.01 -0.48 -2.50 0.00 0.00 175.30 172.26 1gkj s LEU 25 N 1.02 2.22 0.04 -0.88 2.34 -1.26 -0.07 118.68 122.10 1gkj s LEU 25 Ca -0.06 -0.79 -0.07 0.00 0.06 0.00 0.00 54.13 53.28 1gkj s LEU 25 Cb -0.15 0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 45.81 1gkj s LEU 25 CO -0.02 -0.54 0.13 0.00 -1.06 0.00 0.00 176.35 174.86 1gkj s GLN 26 N -3.21 0.65 0.18 1.48 -2.07 -0.34 -4.93 119.66 111.41 1gkj s GLN 26 Ca 0.00 -0.75 -0.30 0.00 -1.82 0.00 0.00 55.36 52.49 1gkj s GLN 26 Cb 0.03 0.26 -0.08 0.00 -1.09 0.00 0.00 33.01 32.13 1gkj s GLN 26 CO -0.07 -0.17 0.98 -0.51 -1.32 0.00 0.00 175.29 174.19 1gkj s LEU 27 N -2.22 4.56 0.40 2.60 1.43 -1.26 -0.78 118.68 123.41 1gkj s LEU 27 Ca -0.03 1.92 -0.27 0.00 -1.03 0.00 0.00 54.13 54.72 1gkj s LEU 27 Cb -0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 1gkj s LEU 27 CO -0.05 0.01 1.38 -0.67 0.23 0.00 0.00 176.35 177.25 1gkj n ASP 28 N 2.11 3.18 0.08 2.29 2.03 0.14 -4.79 116.55 121.58 1gkj n ASP 28 Ca 0.00 1.17 0.20 0.00 0.52 0.00 0.00 54.79 56.68 1gkj n ASP 28 Cb 0.48 -1.56 0.74 0.00 -0.72 0.00 0.00 41.12 40.06 1gkj n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gkj h ALA 29 N 2.50 2.21 0.00 -1.67 0.00 -1.95 0.44 119.26 120.79 1gkj h ALA 29 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1gkj h ALA 29 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gkj h ALA 29 CO 0.62 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1gkj n SER 30 N -4.00 0.00 0.07 0.00 3.41 -1.26 -2.14 113.62 109.70 1gkj n SER 30 Ca 0.07 0.42 -0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1gkj n SER 30 Cb 0.55 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 1gkj n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gkj h ALA 31 N 2.48 0.56 -0.74 7.33 0.00 -1.24 -3.39 119.26 124.27 1gkj h ALA 31 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.12 1gkj h ALA 31 Cb 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1gkj h ALA 31 CO 0.00 1.04 0.46 0.00 0.00 0.00 0.00 179.25 180.75 1gkj h ALA 32 N 1.23 0.98 -0.28 0.00 0.00 -1.57 -2.96 119.26 116.65 1gkj h ALA 32 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1gkj h ALA 32 Cb 1.65 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1gkj h ALA 32 CO 0.09 0.24 -0.06 -1.35 0.00 0.00 0.00 179.25 178.17 1gkj h PRO 33 N 0.89 0.01 -0.14 0.00 0.11 -1.78 -0.28 132.00 130.81 1gkj h PRO 33 Ca 0.30 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 1gkj h PRO 33 Cb 0.05 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1gkj h PRO 33 CO -0.12 0.01 -0.60 0.00 -0.21 0.00 0.00 178.00 177.07 1gkj h ALA 34 N 1.27 0.68 -0.06 -0.75 0.00 -1.82 0.67 119.26 119.25 1gkj h ALA 34 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1gkj h ALA 34 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gkj h ALA 34 CO -0.28 0.71 0.03 0.82 0.00 0.00 0.00 179.25 180.53 1gkj h ILE 35 N 0.37 1.00 0.00 0.00 2.04 -1.35 -1.96 117.51 117.60 1gkj h ILE 35 Ca -0.00 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 1gkj h ILE 35 Cb 1.15 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1gkj h ILE 35 CO 0.11 0.01 -0.61 0.44 0.00 0.00 0.00 178.15 178.10 1gkj h ASP 36 N 0.06 0.00 0.30 1.72 3.32 -0.87 -2.74 116.42 118.21 1gkj h ASP 36 Ca 0.02 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1gkj h ASP 36 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1gkj h ASP 36 CO -0.02 0.61 -0.63 0.00 -1.72 0.00 0.00 179.24 177.48 1gkj h ALA 37 N 1.39 0.76 -0.01 3.45 0.00 -0.71 -0.78 119.26 123.37 1gkj h ALA 37 Ca -0.01 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1gkj h ALA 37 Cb 1.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1gkj h ALA 37 CO 0.08 0.74 -0.78 0.66 0.00 0.00 0.00 179.25 179.95 1gkj h SER 38 N 0.23 0.15 -0.68 0.00 4.64 -1.19 -1.72 113.55 114.99 1gkj h SER 38 Ca -0.01 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1gkj h SER 38 Cb 1.16 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1gkj h SER 38 CO 0.10 0.87 0.42 0.58 -0.87 0.00 0.00 176.83 177.93 1gkj h VAL 39 N 0.07 1.19 0.00 0.95 2.07 -1.39 -2.30 116.25 116.85 1gkj h VAL 39 Ca -0.02 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1gkj h VAL 39 Cb 1.37 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1gkj h VAL 39 CO 0.11 0.20 -0.22 0.00 0.02 0.00 0.00 177.57 177.68 1gkj h ALA 40 N 1.22 1.40 -0.10 1.67 0.00 -0.73 0.15 119.26 122.88 1gkj h ALA 40 Ca 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gkj h ALA 40 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gkj h ALA 40 CO -0.05 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 1gkj h VAL 42 N -0.14 1.01 -0.24 0.00 2.07 -1.02 -0.96 116.25 116.97 1gkj h VAL 42 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1gkj h VAL 42 Cb 0.44 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1gkj h VAL 42 CO 0.01 0.12 0.08 -0.33 0.02 0.00 0.00 177.57 177.47 1gkj h GLU 43 N 0.67 0.33 0.07 1.57 5.08 -0.71 -1.77 114.58 119.82 1gkj h GLU 43 Ca 0.26 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.30 1gkj h GLU 43 Cb 0.11 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.32 1gkj h GLU 43 CO -0.15 0.30 -1.16 0.37 -1.00 0.00 0.00 179.01 177.37 1gkj h GLN 44 N 0.33 0.66 -0.50 2.33 4.15 -0.21 -0.11 115.11 121.76 1gkj h GLN 44 Ca 0.08 -0.81 0.07 0.00 0.77 0.00 0.00 58.65 58.77 1gkj h GLN 44 Cb 0.10 0.25 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1gkj h GLN 44 CO -0.01 1.36 0.18 0.82 -1.93 0.00 0.00 178.83 179.26 1gkj h ILE 45 N 0.31 0.83 0.11 2.39 2.04 -0.88 -1.32 117.51 120.99 1gkj h ILE 45 Ca -0.17 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1gkj h ILE 45 Cb 1.83 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1gkj h ILE 45 CO 0.23 0.07 -0.05 0.40 0.00 0.00 0.00 178.15 178.79 1gkj h ILE 46 N 0.36 1.06 -1.16 -0.67 2.04 -1.31 -0.72 117.51 117.11 1gkj h ILE 46 Ca 0.24 -0.67 0.33 0.00 1.00 0.00 0.00 64.86 65.77 1gkj h ILE 46 Cb 0.25 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.72 1gkj h ILE 46 CO -0.24 0.16 0.76 0.00 0.00 0.00 0.00 178.15 178.82 1gkj h ALA 47 N 0.40 2.51 -0.25 1.87 0.00 -0.73 -0.37 119.26 122.69 1gkj h ALA 47 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gkj h ALA 47 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1gkj h ALA 47 CO 0.02 -0.98 0.00 0.39 0.00 0.00 0.00 179.25 178.68 1gkj n GLU 48 N -4.59 2.11 -3.85 0.00 1.02 -0.52 -4.94 120.64 109.87 1gkj n GLU 48 Ca 0.29 -1.67 -0.26 0.00 -0.02 0.00 0.00 57.16 55.50 1gkj n GLU 48 Cb 1.11 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 31.10 1gkj n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1gkj n ASP 49 N 0.91 -2.69 -4.93 1.62 8.00 -0.15 -4.98 116.55 114.32 1gkj n ASP 49 Ca 0.17 -0.84 -0.25 0.00 0.71 0.00 0.00 54.79 54.59 1gkj n ASP 49 Cb 0.47 -3.79 -0.01 0.00 -0.02 0.00 0.00 41.12 37.76 1gkj n ASP 49 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gkj s ARG 50 N -6.37 3.52 -0.08 -1.24 0.52 -0.30 -5.05 118.95 109.95 1gkj s ARG 50 Ca 0.32 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1gkj s ARG 50 Cb -0.16 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 1gkj s ARG 50 CO 0.84 0.12 -0.06 0.95 0.02 0.00 0.00 175.30 177.17 1gkj s THR 51 N -2.32 3.81 -0.11 0.02 -4.23 -1.26 -4.71 115.64 106.83 1gkj s THR 51 Ca 0.41 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1gkj s THR 51 Cb -0.10 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1gkj s THR 51 CO 0.36 0.59 0.17 0.00 -0.54 0.00 0.00 174.62 175.20 1gkj s ALA 52 N -0.71 -0.17 0.16 3.99 0.00 -1.26 -5.05 121.76 118.71 1gkj s ALA 52 Ca 0.11 0.48 -0.34 0.00 0.00 0.00 0.00 51.96 52.21 1gkj s ALA 52 Cb -0.11 -0.93 -0.15 0.00 0.00 0.00 0.00 23.12 21.94 1gkj s ALA 52 CO 0.02 -0.71 1.45 0.98 0.00 0.00 0.00 175.76 177.50 1gkj n TYR 53 N 5.32 1.98 -0.96 0.00 9.36 -1.26 -1.31 117.16 130.30 1gkj n TYR 53 Ca -0.05 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.60 1gkj n TYR 53 Cb 0.50 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1gkj n TYR 53 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkj n GLY 54 N 2.84 0.74 0.59 2.98 0.00 -1.26 -4.80 105.19 106.28 1gkj n GLY 54 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1gkj n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gkj n ILE 55 N -2.26 1.09 -1.25 -0.61 2.08 -0.43 -4.26 119.36 113.72 1gkj n ILE 55 Ca 0.00 0.27 0.04 0.00 0.56 0.00 0.00 62.75 63.62 1gkj n ILE 55 Cb 0.02 -1.80 0.06 0.00 -0.75 0.00 0.00 39.64 37.16 1gkj n ILE 55 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1gkj n ASN 56 N -3.66 1.19 -4.95 4.38 6.94 -0.86 -3.63 115.26 114.67 1gkj n ASN 56 Ca -0.05 -2.31 -0.21 0.00 -0.02 0.00 0.00 54.58 51.99 1gkj n ASN 56 Cb 0.20 -0.24 0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1gkj n ASN 56 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gkj s THR 57 N -1.27 2.62 0.00 5.53 -4.23 -1.23 -1.92 115.64 115.15 1gkj s THR 57 Ca 0.13 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1gkj s THR 57 Cb 0.11 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1gkj s THR 57 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1gkj n GLY 58 N -2.34 0.24 3.58 3.99 0.00 -0.93 -4.70 105.19 105.04 1gkj n GLY 58 Ca 0.09 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1gkj n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gkj s PHE 59 N 0.67 2.46 0.00 1.61 0.08 -1.26 -3.40 117.98 118.15 1gkj s PHE 59 Ca 0.00 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1gkj s PHE 59 Cb 0.00 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 1gkj s PHE 59 CO 0.00 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 1gkj n GLY 60 N -0.88 0.54 0.25 4.36 0.00 -1.26 -0.44 105.19 107.75 1gkj n GLY 60 Ca -0.05 0.60 0.02 0.00 0.00 0.00 0.00 46.02 46.60 1gkj n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gkj h LEU 61 N 0.00 -0.00 -2.36 0.99 3.38 -2.04 -2.57 115.31 112.71 1gkj h LEU 61 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gkj h LEU 61 Cb 0.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1gkj h LEU 61 CO 0.00 -0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.70 1gkj n LEU 62 N -5.14 3.39 0.22 1.67 4.32 0.41 -4.51 117.00 117.36 1gkj n LEU 62 Ca 0.11 -1.55 0.11 0.00 -0.02 0.00 0.00 56.01 54.66 1gkj n LEU 62 Cb 0.37 -0.25 0.59 0.00 -1.62 0.00 0.00 43.42 42.51 1gkj n LEU 62 CO 0.15 0.75 0.93 0.00 -1.22 0.00 0.00 177.39 177.99 1gkj h ALA 63 N 4.16 1.18 0.00 -1.18 0.00 -1.25 0.62 119.26 122.80 1gkj h ALA 63 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gkj h ALA 63 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1gkj h ALA 63 CO 0.00 -0.18 -0.13 0.45 0.00 0.00 0.00 179.25 179.39 1gkj n SER 64 N -2.40 1.92 -4.25 0.00 2.88 -1.26 -4.57 113.62 105.93 1gkj n SER 64 Ca -0.01 -2.95 -0.33 0.00 -1.33 0.00 0.00 58.87 54.24 1gkj n SER 64 Cb 0.26 -0.40 -0.16 0.00 -0.75 0.00 0.00 64.21 63.17 1gkj n SER 64 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1gkj s THR 65 N -2.41 2.49 -0.85 2.46 2.01 0.21 -5.04 115.64 114.52 1gkj s THR 65 Ca 0.27 -0.84 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1gkj s THR 65 Cb 0.24 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1gkj s THR 65 CO 0.02 0.53 1.88 -0.60 -0.69 0.00 0.00 174.62 175.75 1gkj s ARG 66 N 0.73 2.67 0.52 4.92 3.52 -1.26 -2.92 118.95 127.12 1gkj s ARG 66 Ca -0.07 -0.18 -0.21 0.00 -0.13 0.00 0.00 55.73 55.14 1gkj s ARG 66 Cb -0.16 -4.93 -0.07 0.00 -1.56 0.00 0.00 34.95 28.23 1gkj s ARG 66 CO 0.01 -3.13 1.01 1.51 -0.81 0.00 0.00 175.30 173.89 1gkj n ILE 67 N 7.63 3.09 -2.25 4.11 3.06 -0.81 -4.95 119.36 129.25 1gkj n ILE 67 Ca 0.35 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.72 1gkj n ILE 67 Cb 0.48 -1.20 -0.01 0.00 0.54 0.00 0.00 39.64 39.45 1gkj n ILE 67 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1gkj s ALA 68 N -1.40 3.03 0.33 1.51 0.00 -1.26 -4.77 121.76 119.20 1gkj s ALA 68 Ca 0.69 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.72 1gkj s ALA 68 Cb -0.47 -3.39 0.99 0.00 0.00 0.00 0.00 23.12 20.25 1gkj s ALA 68 CO 0.52 -0.64 1.52 0.45 0.00 0.00 0.00 175.76 177.61 1gkj n SER 69 N -0.31 0.09 0.24 0.00 2.88 -1.26 -0.83 113.62 114.43 1gkj n SER 69 Ca 0.06 1.63 -0.16 0.00 -1.33 0.00 0.00 58.87 59.08 1gkj n SER 69 Cb 0.47 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 63.17 1gkj n SER 69 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1gkj h HIS 70 N 0.00 -0.52 0.00 0.66 3.86 -2.00 -0.76 115.15 116.39 1gkj h HIS 70 Ca 0.69 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.87 1gkj h HIS 70 Cb 1.64 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 30.28 1gkj h HIS 70 CO -0.28 -0.31 -0.09 -0.44 0.86 0.00 0.00 177.93 177.68 1gkj h ASP 71 N -0.60 0.00 -0.39 2.45 5.19 -1.49 -2.70 116.42 118.88 1gkj h ASP 71 Ca -0.06 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1gkj h ASP 71 Cb 0.45 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1gkj h ASP 71 CO 0.10 0.09 0.15 0.25 -3.12 0.00 0.00 179.24 176.70 1gkj h LEU 72 N 0.00 0.55 -0.42 1.55 5.85 -0.45 0.66 115.31 123.05 1gkj h LEU 72 Ca -0.00 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.37 1gkj h LEU 72 Cb 0.80 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1gkj h LEU 72 CO 0.01 0.57 -0.59 1.05 -0.34 0.00 0.00 178.44 179.14 1gkj h GLU 73 N 0.49 0.64 -0.16 1.25 4.11 -1.06 -2.77 114.58 117.09 1gkj h GLU 73 Ca 0.13 -0.43 -0.06 0.00 0.07 0.00 0.00 59.36 59.07 1gkj h GLU 73 Cb 0.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1gkj h GLU 73 CO -0.01 1.05 -0.18 -0.91 0.07 0.00 0.00 179.01 179.03 1gkj h ASN 74 N 0.48 0.25 -0.50 3.06 -0.26 -1.14 -1.98 115.58 115.50 1gkj h ASN 74 Ca 0.00 -0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.74 1gkj h ASN 74 Cb 1.16 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.32 1gkj h ASN 74 CO 0.12 0.45 0.33 0.25 -1.06 0.00 0.00 177.43 177.52 1gkj h LEU 75 N 0.25 0.36 -0.58 1.61 5.85 0.62 -1.33 115.31 122.09 1gkj h LEU 75 Ca 0.05 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1gkj h LEU 75 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1gkj h LEU 75 CO 0.03 0.24 -0.15 1.56 -0.34 0.00 0.00 178.44 179.78 1gkj h GLN 76 N 0.42 0.98 -0.27 1.25 1.08 -1.20 -0.69 115.11 116.67 1gkj h GLN 76 Ca 0.22 -0.38 -0.08 0.00 -1.45 0.00 0.00 58.65 56.96 1gkj h GLN 76 Cb 0.33 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1gkj h GLN 76 CO -0.06 1.05 -0.16 -0.09 -0.95 0.00 0.00 178.83 178.63 1gkj h ARG 77 N 0.86 0.58 -0.93 1.46 2.43 -1.44 -2.75 114.38 114.60 1gkj h ARG 77 Ca 0.13 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1gkj h ARG 77 Cb 0.71 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1gkj h ARG 77 CO 0.05 0.84 0.60 1.03 -1.51 0.00 0.00 179.97 180.99 1gkj h SER 78 N 0.31 1.00 -0.17 -3.80 0.87 -1.09 -0.88 113.55 109.78 1gkj h SER 78 Ca 0.06 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1gkj h SER 78 Cb 0.68 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1gkj h SER 78 CO 0.04 0.68 0.09 -0.07 -0.53 0.00 0.00 176.83 177.04 1gkj h LEU 79 N 1.16 0.13 -0.28 2.23 3.38 -1.03 -1.97 115.31 118.94 1gkj h LEU 79 Ca 0.37 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1gkj h LEU 79 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1gkj h LEU 79 CO -0.12 0.10 0.08 0.58 0.09 0.00 0.00 178.44 179.17 1gkj h VAL 80 N 0.19 1.21 -0.02 1.22 2.07 -1.06 -0.23 116.25 119.62 1gkj h VAL 80 Ca 0.07 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1gkj h VAL 80 Cb 0.01 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1gkj h VAL 80 CO -0.04 0.22 0.01 -0.07 0.02 0.00 0.00 177.57 177.71 1gkj h LEU 81 N 0.30 0.03 -1.30 2.57 3.38 -1.20 -1.84 115.31 117.25 1gkj h LEU 81 Ca 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1gkj h LEU 81 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1gkj h LEU 81 CO -0.00 0.15 -0.34 0.77 0.09 0.00 0.00 178.44 179.11 1gkj h SER 82 N -0.09 0.00 0.84 -0.43 4.64 -1.32 -2.87 113.55 114.32 1gkj h SER 82 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gkj h SER 82 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1gkj h SER 82 CO -0.00 0.34 -0.45 1.41 -0.87 0.00 0.00 176.83 177.26 1gkj n HIS 83 N -3.93 0.37 -2.39 4.77 8.25 -0.10 -4.39 115.22 117.79 1gkj n HIS 83 Ca -0.02 0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 1gkj n HIS 83 Cb 0.40 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1gkj n HIS 83 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gkj n ALA 84 N -1.69 4.53 -2.01 -1.41 0.00 -0.71 -3.91 120.51 115.31 1gkj n ALA 84 Ca 0.05 -4.05 -0.02 0.00 0.00 0.00 0.00 53.44 49.42 1gkj n ALA 84 Cb 0.40 -3.33 0.11 0.00 0.00 0.00 0.00 19.45 16.63 1gkj n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gkj n ALA 85 N 6.21 3.61 -2.00 0.00 0.00 -1.26 -4.96 120.51 122.11 1gkj n ALA 85 Ca 0.45 -3.17 -0.27 0.00 0.00 0.00 0.00 53.44 50.45 1gkj n ALA 85 Cb 0.41 -0.48 0.05 0.00 0.00 0.00 0.00 19.45 19.43 1gkj n ALA 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gkj s GLY 86 N -3.13 1.63 0.19 0.00 0.00 -1.26 -4.93 107.32 99.81 1gkj s GLY 86 Ca 0.39 -0.68 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 1gkj s GLY 86 CO -0.06 -0.34 0.43 -1.50 0.00 0.00 0.00 173.10 171.64 1gkj s ILE 87 N -3.16 0.04 0.00 0.90 2.07 -0.67 -4.93 121.20 115.45 1gkj s ILE 87 Ca 0.57 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 1gkj s ILE 87 Cb -0.11 -1.73 0.00 0.00 0.13 0.00 0.00 42.46 40.76 1gkj s ILE 87 CO 0.47 -0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.93 1gkj n GLY 88 N -0.30 -3.55 3.75 1.50 0.00 -1.26 -1.04 105.19 104.30 1gkj n GLY 88 Ca -0.08 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 1gkj n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkj s ALA 89 N -1.19 2.79 0.39 4.61 0.00 -1.26 -4.24 121.76 122.86 1gkj s ALA 89 Ca 0.00 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1gkj s ALA 89 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 1gkj s ALA 89 CO 0.00 -1.24 1.34 -2.14 0.00 0.00 0.00 175.76 173.72 1gkj s PRO 90 N -2.94 4.05 0.53 0.00 0.02 -1.26 -0.78 135.00 134.63 1gkj s PRO 90 Ca 0.71 2.26 -0.21 0.00 0.02 0.00 0.00 61.00 63.78 1gkj s PRO 90 Cb -0.37 -2.85 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1gkj s PRO 90 CO 0.44 -0.46 1.25 -0.51 -0.33 0.00 0.00 177.00 177.39 1gkj s LEU 91 N -2.26 3.84 0.87 -5.54 1.43 0.53 -4.83 118.68 112.72 1gkj s LEU 91 Ca 0.55 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1gkj s LEU 91 Cb -0.40 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 41.56 1gkj s LEU 91 CO 0.53 -1.38 1.09 1.51 0.23 0.00 0.00 176.35 178.33 1gkj s ASP 92 N -1.28 3.71 0.28 2.29 1.47 -1.26 -4.81 116.67 117.07 1gkj s ASP 92 Ca 0.71 1.58 -0.04 0.00 1.18 0.00 0.00 52.55 55.98 1gkj s ASP 92 Cb -0.34 -2.26 0.37 0.00 -0.34 0.00 0.00 42.92 40.35 1gkj s ASP 92 CO 0.39 -2.50 1.95 0.44 0.68 0.00 0.00 175.17 176.13 1gkj h ASP 93 N -1.46 1.04 -0.51 2.11 3.32 -1.97 -2.07 116.42 116.88 1gkj h ASP 93 Ca -0.48 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.61 1gkj h ASP 93 Cb 1.27 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1gkj h ASP 93 CO 0.54 0.75 0.20 0.44 -1.72 0.00 0.00 179.24 179.44 1gkj h ASP 94 N 1.22 0.22 -0.30 6.45 3.32 -1.91 0.19 116.42 125.61 1gkj h ASP 94 Ca 0.33 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.28 1gkj h ASP 94 Cb -0.13 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1gkj h ASP 94 CO -0.07 0.15 -0.44 0.25 -1.72 0.00 0.00 179.24 177.41 1gkj h LEU 95 N 0.39 0.91 -0.12 1.55 5.85 -1.77 -0.54 115.31 121.58 1gkj h LEU 95 Ca 0.25 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1gkj h LEU 95 Cb 0.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1gkj h LEU 95 CO -0.24 1.24 -0.03 0.58 -0.34 0.00 0.00 178.44 179.65 1gkj h VAL 96 N 0.61 0.87 -0.60 1.05 2.07 -0.90 -0.33 116.25 119.02 1gkj h VAL 96 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1gkj h VAL 96 Cb 1.04 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1gkj h VAL 96 CO 0.10 0.00 0.15 -0.09 0.02 0.00 0.00 177.57 177.75 1gkj h ARG 97 N -0.01 0.27 -0.47 1.57 2.43 -0.47 -0.92 114.38 116.79 1gkj h ARG 97 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1gkj h ARG 97 Cb 0.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1gkj h ARG 97 CO -0.13 0.18 0.26 1.25 -1.51 0.00 0.00 179.97 180.03 1gkj h LEU 98 N 0.28 0.59 -0.62 3.80 5.85 -0.27 -0.55 115.31 124.39 1gkj h LEU 98 Ca 0.32 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1gkj h LEU 98 Cb 0.46 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1gkj h LEU 98 CO -0.39 0.50 0.37 0.40 -0.34 0.00 0.00 178.44 178.99 1gkj h ILE 99 N 0.63 1.18 -0.51 4.05 2.04 -0.59 -0.24 117.51 124.06 1gkj h ILE 99 Ca 0.17 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1gkj h ILE 99 Cb 0.04 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1gkj h ILE 99 CO -0.03 0.19 0.29 0.24 0.00 0.00 0.00 178.15 178.84 1gkj h MET 100 N 0.84 0.56 -0.31 2.37 0.00 -0.72 -0.32 114.93 117.36 1gkj h MET 100 Ca 0.22 -0.03 -0.14 0.00 0.00 0.00 0.00 59.70 59.75 1gkj h MET 100 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 31.60 31.44 1gkj h MET 100 CO -0.04 0.37 -0.38 0.28 0.00 0.00 0.00 176.91 177.14 1gkj h VAL 101 N 0.58 1.29 -0.79 -2.22 2.07 -0.68 0.07 116.25 116.56 1gkj h VAL 101 Ca 0.21 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1gkj h VAL 101 Cb 0.05 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1gkj h VAL 101 CO -0.11 0.50 0.34 -0.07 0.02 0.00 0.00 177.57 178.25 1gkj h LEU 102 N 0.60 1.07 -0.50 2.57 3.38 -0.82 0.35 115.31 121.96 1gkj h LEU 102 Ca 0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1gkj h LEU 102 Cb 0.91 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1gkj h LEU 102 CO 0.08 0.93 0.01 0.50 0.09 0.00 0.00 178.44 180.05 1gkj h LYS 103 N 1.14 0.87 -0.08 1.13 1.63 -0.47 0.16 116.57 120.95 1gkj h LYS 103 Ca 0.27 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1gkj h LYS 103 Cb 0.18 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1gkj h LYS 103 CO -0.03 0.90 -0.08 0.82 -3.45 0.00 0.00 179.45 177.61 1gkj h ILE 104 N 0.73 0.77 -0.22 2.00 2.04 -0.83 -0.48 117.51 121.51 1gkj h ILE 104 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1gkj h ILE 104 Cb 0.50 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1gkj h ILE 104 CO 0.02 0.00 -0.11 -1.13 0.00 0.00 0.00 178.15 176.93 1gkj h ASN 105 N -0.10 -0.38 -0.27 1.72 -1.24 -0.60 0.15 115.58 114.85 1gkj h ASN 105 Ca 0.06 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1gkj h ASN 105 Cb 0.19 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1gkj h ASN 105 CO -0.14 -0.15 0.12 0.28 -1.29 0.00 0.00 177.43 176.24 1gkj h SER 106 N -0.09 0.36 -0.16 1.15 0.02 -0.68 -2.71 113.55 111.44 1gkj h SER 106 Ca 0.12 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1gkj h SER 106 Cb 0.27 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1gkj h SER 106 CO -0.28 0.42 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.67 1gkj h LEU 107 N 0.29 0.48 0.00 5.07 3.38 -0.86 -2.88 115.31 120.78 1gkj h LEU 107 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gkj h LEU 107 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1gkj h LEU 107 CO -0.01 0.61 0.00 -1.20 0.09 0.00 0.00 178.44 177.93 1gkj n SER 108 N -4.23 0.00 0.03 -0.43 7.64 0.50 -2.38 113.62 114.75 1gkj n SER 108 Ca 0.01 -0.18 0.10 0.00 1.01 0.00 0.00 58.87 59.81 1gkj n SER 108 Cb 0.30 -0.23 0.43 0.00 -1.01 0.00 0.00 64.21 63.70 1gkj n SER 108 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkj n ARG 109 N -1.23 0.05 -1.28 1.43 1.74 -1.09 -4.68 116.66 111.60 1gkj n ARG 109 Ca 0.12 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1gkj n ARG 109 Cb 0.16 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1gkj n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gkj n GLY 110 N 0.55 0.41 1.00 -0.13 0.00 -1.00 -4.73 105.19 101.29 1gkj n GLY 110 Ca 0.04 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.17 1gkj n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gkj n PHE 111 N -3.27 0.49 0.40 1.61 3.72 -1.26 -4.32 117.46 114.84 1gkj n PHE 111 Ca 0.00 -0.30 0.07 0.00 -0.05 0.00 0.00 57.45 57.17 1gkj n PHE 111 Cb 0.16 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.60 1gkj n PHE 111 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1gkj n SER 112 N 1.23 1.05 -0.88 4.37 7.64 -1.26 -0.07 113.62 125.70 1gkj n SER 112 Ca 0.17 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.46 1gkj n SER 112 Cb 0.54 1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.99 1gkj n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkj n GLY 113 N 1.47 0.47 3.67 0.23 0.00 -1.26 -4.84 105.19 104.92 1gkj n GLY 113 Ca 0.01 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 1gkj n GLY 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gkj s ILE 114 N -2.40 4.38 0.38 -0.61 -1.16 -1.26 -4.54 121.20 115.99 1gkj s ILE 114 Ca 0.00 -0.21 -0.28 0.00 -0.51 0.00 0.00 60.65 59.65 1gkj s ILE 114 Cb 0.00 -2.87 -0.11 0.00 0.61 0.00 0.00 42.46 40.09 1gkj s ILE 114 CO 0.00 0.58 1.48 -0.13 -2.81 0.00 0.00 174.94 174.06 1gkj s ARG 115 N -0.61 4.08 0.40 3.50 0.52 -1.26 -4.78 118.95 120.80 1gkj s ARG 115 Ca 0.10 2.57 0.10 0.00 -0.52 0.00 0.00 55.73 57.98 1gkj s ARG 115 Cb -0.12 -2.95 0.90 0.00 0.52 0.00 0.00 34.95 33.31 1gkj s ARG 115 CO 0.02 -0.56 1.96 -0.09 0.02 0.00 0.00 175.30 176.65 1gkj h ARG 116 N 2.95 0.55 0.00 3.54 2.43 -1.98 -1.12 114.38 120.76 1gkj h ARG 116 Ca -0.51 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1gkj h ARG 116 Cb 1.24 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1gkj h ARG 116 CO 0.64 0.36 -0.04 1.57 -1.51 0.00 0.00 179.97 180.99 1gkj h LYS 117 N 0.57 0.00 0.23 0.20 2.10 -1.98 0.20 116.57 117.88 1gkj h LYS 117 Ca 0.31 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.62 1gkj h LYS 117 Cb 0.46 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1gkj h LYS 117 CO -0.10 0.04 -1.52 0.28 -2.00 0.00 0.00 179.45 176.15 1gkj h VAL 118 N 0.00 1.23 -0.45 0.07 2.07 -1.56 -1.81 116.25 115.79 1gkj h VAL 118 Ca -0.00 -2.70 0.06 0.00 0.82 0.00 0.00 66.70 64.87 1gkj h VAL 118 Cb 0.08 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 1gkj h VAL 118 CO 0.01 0.83 0.17 0.40 0.02 0.00 0.00 177.57 178.99 1gkj h ILE 119 N 0.13 0.87 0.00 4.57 1.08 -1.28 -2.05 117.51 120.83 1gkj h ILE 119 Ca -0.26 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.05 1gkj h ILE 119 Cb 2.14 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1gkj h ILE 119 CO 0.25 0.06 -0.16 0.44 -0.69 0.00 0.00 178.15 178.06 1gkj h ASP 120 N 0.34 0.00 -0.11 1.72 3.32 -0.94 0.29 116.42 121.04 1gkj h ASP 120 Ca 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1gkj h ASP 120 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1gkj h ASP 120 CO -0.21 0.16 0.03 0.00 -1.72 0.00 0.00 179.24 177.50 1gkj h ALA 121 N 1.84 0.15 -0.77 3.45 0.00 -0.63 0.98 119.26 124.28 1gkj h ALA 121 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gkj h ALA 121 Cb 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1gkj h ALA 121 CO 0.02 -0.23 0.48 -0.07 0.00 0.00 0.00 179.25 179.45 1gkj h LEU 122 N -0.02 0.90 -1.23 0.00 3.38 -0.89 -1.34 115.31 116.11 1gkj h LEU 122 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1gkj h LEU 122 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1gkj h LEU 122 CO -0.00 0.68 0.23 0.40 0.09 0.00 0.00 178.44 179.84 1gkj h ILE 123 N 1.04 1.19 -0.71 1.22 2.04 -0.64 -1.50 117.51 120.16 1gkj h ILE 123 Ca 0.28 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1gkj h ILE 123 Cb -0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1gkj h ILE 123 CO -0.06 0.23 0.31 0.00 0.00 0.00 0.00 178.15 178.63 1gkj h ALA 124 N 1.50 1.21 0.20 1.87 0.00 -0.07 -0.12 119.26 123.85 1gkj h ALA 124 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1gkj h ALA 124 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gkj h ALA 124 CO -0.02 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.65 1gkj h LEU 125 N 1.01 -0.23 -0.28 0.00 3.38 -0.40 -0.79 115.31 118.00 1gkj h LEU 125 Ca 0.24 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1gkj h LEU 125 Cb 0.15 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1gkj h LEU 125 CO -0.03 -0.14 -0.09 0.58 0.09 0.00 0.00 178.44 178.85 1gkj h VAL 126 N -0.29 0.67 -0.26 1.22 2.07 -1.06 -1.59 116.25 117.01 1gkj h VAL 126 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1gkj h VAL 126 Cb 0.22 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1gkj h VAL 126 CO 0.04 0.00 0.17 0.78 0.02 0.00 0.00 177.57 178.59 1gkj h ASN 127 N -0.04 0.27 0.32 0.57 2.35 -0.88 -1.45 115.58 116.72 1gkj h ASN 127 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1gkj h ASN 127 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1gkj h ASN 127 CO -0.30 0.19 -0.07 0.00 -1.65 0.00 0.00 177.43 175.60 1gkj n ALA 128 N -2.51 2.69 -3.69 -0.83 0.00 -0.32 -4.91 120.51 110.95 1gkj n ALA 128 Ca 0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1gkj n ALA 128 Cb 0.10 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.22 1gkj n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gkj n GLU 129 N -0.95 -5.83 -3.81 0.00 1.02 -0.55 -4.95 120.64 105.57 1gkj n GLU 129 Ca 0.16 0.69 -0.36 0.00 -0.02 0.00 0.00 57.16 57.62 1gkj n GLU 129 Cb 0.25 -5.49 -0.13 0.00 -0.02 0.00 0.00 31.44 26.05 1gkj n GLU 129 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1gkj s VAL 130 N -3.47 3.74 -0.26 2.62 1.01 -0.70 -4.49 120.40 118.86 1gkj s VAL 130 Ca 0.25 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1gkj s VAL 130 Cb -0.12 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.42 1gkj s VAL 130 CO 0.79 0.14 -0.11 -0.31 0.00 0.00 0.00 175.10 175.61 1gkj s TYR 131 N 1.47 3.25 0.35 5.22 2.02 -0.26 -4.44 117.35 124.97 1gkj s TYR 131 Ca 0.03 -2.31 -0.25 0.00 -0.37 0.00 0.00 57.07 54.16 1gkj s TYR 131 Cb -0.17 -1.93 -0.13 0.00 -0.40 0.00 0.00 41.96 39.34 1gkj s TYR 131 CO 0.01 -0.88 0.85 -2.30 -1.57 0.00 0.00 175.55 171.66 1gkj n PRO 132 N 4.44 1.04 -1.88 -1.71 -0.02 -1.26 -0.74 135.00 134.87 1gkj n PRO 132 Ca -0.14 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 1gkj n PRO 132 Cb 0.42 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1gkj n PRO 132 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1gkj s HIS 133 N -1.22 3.00 -0.11 6.00 5.65 0.09 -4.79 115.29 123.91 1gkj s HIS 133 Ca 0.61 0.59 -0.02 0.00 0.25 0.00 0.00 55.06 56.49 1gkj s HIS 133 Cb -0.65 -3.98 0.04 0.00 -1.18 0.00 0.00 32.58 26.80 1gkj s HIS 133 CO 0.58 -3.60 0.04 0.42 -0.65 0.00 0.00 174.74 171.53 1gkj s ILE 134 N 0.99 0.19 0.52 0.89 1.01 -1.26 -4.20 121.20 119.33 1gkj s ILE 134 Ca 0.70 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.19 1gkj s ILE 134 Cb -0.45 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1gkj s ILE 134 CO 0.33 0.05 1.02 -2.16 0.00 0.00 0.00 174.94 174.18 1gkj s PRO 135 N 2.04 3.72 0.18 2.79 0.04 -1.26 -0.35 135.00 142.16 1gkj s PRO 135 Ca 0.03 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.19 1gkj s PRO 135 Cb -0.14 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.39 1gkj s PRO 135 CO -0.06 -0.48 1.62 1.25 0.04 0.00 0.00 177.00 179.37 1gkj h LEU 136 N 1.11 1.01 -9.53 -3.56 5.85 -1.02 -3.44 115.31 105.71 1gkj h LEU 136 Ca -0.48 -0.32 -0.56 0.00 0.84 0.00 0.00 57.88 57.35 1gkj h LEU 136 Cb 1.21 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 1gkj h LEU 136 CO 0.59 1.11 -0.65 -0.54 -0.34 0.00 0.00 178.44 178.61 1gkj s LYS 137 N -4.88 2.21 0.00 1.25 1.02 -0.21 -4.79 119.74 114.35 1gkj s LYS 137 Ca -0.11 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.38 1gkj s LYS 137 Cb 0.13 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1gkj s LYS 137 CO 0.86 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 176.02 1gkj n GLY 138 N -0.89 2.51 3.76 -3.33 0.00 -1.26 -1.66 105.19 104.32 1gkj n GLY 138 Ca -0.06 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1gkj n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gkj s SER 139 N -0.21 7.42 -0.09 1.61 0.15 -1.26 -4.89 113.70 116.42 1gkj s SER 139 Ca 0.00 2.12 0.18 0.00 0.70 0.00 0.00 55.95 58.95 1gkj s SER 139 Cb 0.00 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.36 1gkj s SER 139 CO 0.00 -0.02 1.58 1.33 1.20 0.00 0.00 173.24 177.32 1gkj n VAL 140 N 1.27 1.65 -3.36 4.45 0.24 -1.26 -4.60 118.33 116.71 1gkj n VAL 140 Ca -0.01 -1.19 -0.17 0.00 -2.04 0.00 0.00 64.34 60.93 1gkj n VAL 140 Cb 0.46 0.20 0.08 0.00 -1.47 0.00 0.00 33.84 33.11 1gkj n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gkj n GLY 141 N 1.08 -0.33 0.00 7.63 0.00 -1.24 -0.85 105.19 111.48 1gkj n GLY 141 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1gkj n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkj n ALA 142 N -4.10 0.00 0.00 4.61 0.00 -1.25 -1.65 120.51 118.12 1gkj n ALA 142 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1gkj n ALA 142 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1gkj n ALA 142 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gkj n SER 143 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.73 113.62 111.04 1gkj n SER 143 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1gkj n SER 143 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1gkj n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gkj n GLY 144 N 0.00 0.32 2.71 5.00 0.00 -1.16 -3.67 105.19 108.40 1gkj n GLY 144 Ca 0.00 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1gkj n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gkj n ASP 145 N 5.29 6.92 -0.05 1.61 8.00 0.31 -3.63 116.55 135.00 1gkj n ASP 145 Ca 0.00 -3.71 -0.08 0.00 0.71 0.00 0.00 54.79 51.71 1gkj n ASP 145 Cb 0.00 -1.05 -0.02 0.00 -0.02 0.00 0.00 41.12 40.03 1gkj n ASP 145 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1gkj h LEU 146 N 3.84 -0.25 0.44 0.64 3.38 -1.76 -1.70 115.31 119.89 1gkj h LEU 146 Ca 0.48 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 1gkj h LEU 146 Cb 0.32 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1gkj h LEU 146 CO 1.16 -0.09 -0.21 0.00 0.09 0.00 0.00 178.44 179.38 1gkj h ALA 147 N 1.21 -0.59 -0.54 1.53 0.00 -1.88 -0.44 119.26 118.56 1gkj h ALA 147 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gkj h ALA 147 Cb 0.19 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1gkj h ALA 147 CO -0.25 -0.65 0.18 -1.00 0.00 0.00 0.00 179.25 177.52 1gkj h PRO 148 N -0.95 0.79 -0.14 0.00 0.13 -1.86 0.22 132.00 130.19 1gkj h PRO 148 Ca -0.06 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1gkj h PRO 148 Cb 0.57 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1gkj h PRO 148 CO 0.10 0.68 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.23 1gkj h LEU 149 N 0.78 0.25 -0.32 1.56 3.38 -1.33 -1.56 115.31 118.06 1gkj h LEU 149 Ca 0.18 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1gkj h LEU 149 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1gkj h LEU 149 CO -0.01 0.50 -0.18 0.00 0.09 0.00 0.00 178.44 178.84 1gkj h ALA 150 N 1.52 0.45 -0.61 1.53 0.00 0.37 -1.19 119.26 121.33 1gkj h ALA 150 Ca 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1gkj h ALA 150 Cb 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1gkj h ALA 150 CO 0.04 0.38 0.34 0.45 0.00 0.00 0.00 179.25 180.46 1gkj h HIS 151 N 0.45 0.64 -0.46 0.00 3.86 -0.71 0.06 115.15 118.99 1gkj h HIS 151 Ca 0.07 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1gkj h HIS 151 Cb 0.71 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1gkj h HIS 151 CO 0.06 0.33 0.23 1.98 0.86 0.00 0.00 177.93 181.39 1gkj h MET 152 N 0.66 0.45 0.00 2.45 -1.53 -1.13 -2.41 114.93 113.42 1gkj h MET 152 Ca 0.26 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.46 1gkj h MET 152 Cb 0.11 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 1gkj h MET 152 CO -0.15 0.30 -0.18 0.77 0.14 0.00 0.00 176.91 177.79 1gkj h SER 153 N 0.46 0.00 -0.94 1.39 0.02 -0.43 -3.02 113.55 111.03 1gkj h SER 153 Ca 0.20 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.29 1gkj h SER 153 Cb 0.10 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.54 1gkj h SER 153 CO -0.14 0.18 0.55 -0.07 -1.14 0.00 0.00 176.83 176.21 1gkj h LEU 154 N 0.00 0.73 -1.00 5.07 3.38 -0.47 -1.83 115.31 121.19 1gkj h LEU 154 Ca -0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1gkj h LEU 154 Cb 0.53 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1gkj h LEU 154 CO 0.02 0.33 0.39 0.58 0.09 0.00 0.00 178.44 179.85 1gkj h VAL 155 N 0.79 1.24 -0.72 1.22 2.07 -1.36 -0.17 116.25 119.32 1gkj h VAL 155 Ca 0.50 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.52 1gkj h VAL 155 Cb 0.66 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1gkj h VAL 155 CO -0.33 0.28 0.48 -0.07 0.02 0.00 0.00 177.57 177.95 1gkj h LEU 156 N 1.09 0.38 -0.87 2.57 3.38 -1.51 0.62 115.31 120.98 1gkj h LEU 156 Ca 0.27 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1gkj h LEU 156 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gkj h LEU 156 CO -0.04 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.88 1gkj n LEU 157 N -4.47 1.34 0.00 1.67 4.77 -0.54 -0.80 117.00 118.97 1gkj n LEU 157 Ca 0.13 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1gkj n LEU 157 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1gkj n LEU 157 CO 0.33 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1gkj n GLY 158 N 1.14 0.51 3.61 -0.72 0.00 0.21 -4.70 105.19 105.24 1gkj n GLY 158 Ca 0.19 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1gkj n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gkj s GLU 159 N -1.49 1.94 2.86 1.61 0.41 -0.19 -4.49 118.70 119.36 1gkj s GLU 159 Ca 0.00 -2.09 0.00 0.00 -0.41 0.00 0.00 54.97 52.47 1gkj s GLU 159 Cb 0.00 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 1gkj s GLU 159 CO 0.00 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 1gkj n GLY 160 N -0.94 -0.42 3.67 -1.39 0.00 -1.26 -2.59 105.19 102.25 1gkj n GLY 160 Ca -0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1gkj n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkj s LYS 161 N 0.00 1.62 -0.01 1.61 -2.85 -1.26 -3.48 119.74 115.36 1gkj s LYS 161 Ca 0.00 -1.16 -0.15 0.00 -1.00 0.00 0.00 55.97 53.66 1gkj s LYS 161 Cb 0.00 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1gkj s LYS 161 CO 0.00 -0.70 0.30 0.00 0.10 0.00 0.00 175.35 175.06 1gkj s ALA 162 N -3.99 -0.77 -0.04 0.59 0.00 -0.84 -0.73 121.76 115.97 1gkj s ALA 162 Ca 0.19 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 1gkj s ALA 162 Cb -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1gkj s ALA 162 CO 0.08 -0.26 0.55 0.50 0.00 0.00 0.00 175.76 176.63 1gkj s ARG 163 N -1.32 4.29 -0.04 0.00 3.52 0.08 -0.34 118.95 125.14 1gkj s ARG 163 Ca -0.14 0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1gkj s ARG 163 Cb -0.05 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1gkj s ARG 163 CO 0.04 0.31 0.01 -0.47 -0.81 0.00 0.00 175.30 174.38 1gkj s TYR 164 N 0.06 0.37 -1.67 5.12 5.04 0.03 -1.10 117.35 125.20 1gkj s TYR 164 Ca 0.29 -0.01 -0.17 0.00 -2.44 0.00 0.00 57.07 54.74 1gkj s TYR 164 Cb -0.17 -0.52 0.14 0.00 0.35 0.00 0.00 41.96 41.77 1gkj s TYR 164 CO 0.15 -0.18 0.82 1.63 -1.34 0.00 0.00 175.55 176.62 1gkj n LYS 165 N 4.52 -3.61 -1.01 4.97 4.76 -1.26 -1.78 118.16 124.74 1gkj n LYS 165 Ca -0.19 0.41 -0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1gkj n LYS 165 Cb 0.50 -5.16 -0.00 0.00 -1.84 0.00 0.00 35.03 28.53 1gkj n LYS 165 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gkj n GLY 166 N -1.46 0.47 3.18 0.72 0.00 -1.26 -5.04 105.19 101.80 1gkj n GLY 166 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1gkj n GLY 166 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gkj s GLN 167 N -0.63 1.05 0.08 1.61 0.00 -0.74 -5.10 119.66 115.92 1gkj s GLN 167 Ca 0.00 -0.84 -0.30 0.00 -0.00 0.00 0.00 55.36 54.22 1gkj s GLN 167 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 33.01 31.86 1gkj s GLN 167 CO 0.00 0.27 1.04 -1.58 0.00 0.00 0.00 175.29 175.02 1gkj s TRP 168 N -0.88 3.64 0.12 9.60 0.52 -1.26 -0.79 118.94 129.90 1gkj s TRP 168 Ca 0.03 1.63 0.10 0.00 0.02 0.00 0.00 56.10 57.87 1gkj s TRP 168 Cb -0.08 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 1gkj s TRP 168 CO 0.02 -0.32 -0.21 -0.51 0.02 0.00 0.00 176.95 175.94 1gkj s LEU 169 N 0.48 2.57 0.96 2.99 1.43 0.53 -4.96 118.68 122.69 1gkj s LEU 169 Ca 0.51 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1gkj s LEU 169 Cb -0.25 -1.43 0.17 0.00 0.03 0.00 0.00 46.19 44.71 1gkj s LEU 169 CO 0.30 0.18 1.11 -0.94 0.23 0.00 0.00 176.35 177.23 1gkj s SER 170 N -2.13 2.60 0.21 2.29 1.04 -1.26 -1.99 113.70 114.45 1gkj s SER 170 Ca 0.17 1.97 -0.06 0.00 0.48 0.00 0.00 55.95 58.50 1gkj s SER 170 Cb -0.10 -2.48 0.15 0.00 0.10 0.00 0.00 66.02 63.69 1gkj s SER 170 CO 0.09 -3.27 1.66 0.00 0.98 0.00 0.00 173.24 172.70 1gkj h ALA 171 N -1.98 0.89 0.04 5.32 0.00 -1.82 0.10 119.26 121.81 1gkj h ALA 171 Ca -0.48 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.12 1gkj h ALA 171 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1gkj h ALA 171 CO 0.45 0.64 -0.09 1.79 0.00 0.00 0.00 179.25 182.04 1gkj h THR 172 N 0.84 0.78 -0.71 0.00 1.35 -1.90 0.33 112.91 113.59 1gkj h THR 172 Ca 0.14 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.13 1gkj h THR 172 Cb 0.60 0.78 -0.09 0.00 -1.73 0.00 0.00 68.15 67.71 1gkj h THR 172 CO 0.04 0.00 0.28 -0.08 -0.25 0.00 0.00 175.52 175.51 1gkj h GLU 173 N -0.18 0.43 -0.16 4.72 4.81 -1.89 -1.51 114.58 120.80 1gkj h GLU 173 Ca 0.02 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1gkj h GLU 173 Cb 0.20 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1gkj h GLU 173 CO -0.06 0.29 -0.63 0.00 -0.73 0.00 0.00 179.01 177.87 1gkj h ALA 174 N 1.50 0.30 -0.79 2.92 0.00 -0.40 -2.42 119.26 120.38 1gkj h ALA 174 Ca 0.38 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1gkj h ALA 174 Cb 0.54 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1gkj h ALA 174 CO -0.37 0.57 0.48 -0.07 0.00 0.00 0.00 179.25 179.86 1gkj h LEU 175 N 0.42 0.74 -1.08 0.00 3.38 -0.16 -2.50 115.31 116.11 1gkj h LEU 175 Ca -0.03 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1gkj h LEU 175 Cb 1.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1gkj h LEU 175 CO 0.13 0.48 -0.14 0.00 0.09 0.00 0.00 178.44 179.00 1gkj h ALA 176 N 1.38 1.23 -0.83 1.53 0.00 -1.08 0.94 119.26 122.43 1gkj h ALA 176 Ca 0.34 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1gkj h ALA 176 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1gkj h ALA 176 CO -0.17 0.50 0.55 0.28 0.00 0.00 0.00 179.25 180.41 1gkj h VAL 177 N 0.44 1.15 -0.23 0.00 2.07 -1.00 -1.70 116.25 116.98 1gkj h VAL 177 Ca 0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1gkj h VAL 177 Cb 0.51 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1gkj h VAL 177 CO 0.03 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1gkj n ALA 178 N -2.41 2.49 -0.99 1.67 0.00 -0.37 -4.90 120.51 116.01 1gkj n ALA 178 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1gkj n ALA 178 Cb 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1gkj n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gkj n GLY 179 N 1.02 0.45 3.68 0.00 0.00 -0.64 -4.82 105.19 104.88 1gkj n GLY 179 Ca 0.13 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1gkj n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkj s LEU 180 N 0.00 3.18 0.33 0.99 1.43 0.18 -4.98 118.68 119.81 1gkj s LEU 180 Ca 0.00 -0.76 0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1gkj s LEU 180 Cb 0.00 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1gkj s LEU 180 CO 0.00 -0.17 -0.07 -1.61 0.23 0.00 0.00 176.35 174.74 1gkj s GLU 181 N -3.75 1.92 0.33 1.70 2.02 -1.26 -3.44 118.70 116.21 1gkj s GLU 181 Ca 0.35 -1.80 -0.28 0.00 0.02 0.00 0.00 54.97 53.25 1gkj s GLU 181 Cb -0.04 -1.83 -0.12 0.00 0.10 0.00 0.00 34.13 32.24 1gkj s GLU 181 CO 0.21 0.19 1.32 -2.30 0.02 0.00 0.00 175.26 174.70 1gkj n PRO 182 N -0.83 2.15 -3.64 0.39 -0.02 -1.26 -4.98 135.00 126.81 1gkj n PRO 182 Ca -0.05 0.76 -0.25 0.00 -2.02 0.00 0.00 63.50 61.94 1gkj n PRO 182 Cb 0.62 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1gkj n PRO 182 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1gkj s LEU 183 N -0.90 4.17 -0.21 2.45 1.43 0.02 -4.99 118.68 120.65 1gkj s LEU 183 Ca 0.57 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1gkj s LEU 183 Cb -0.57 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1gkj s LEU 183 CO 0.60 -0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 176.07 1gkj s THR 184 N -2.04 2.95 0.50 5.49 2.01 -1.26 -4.46 115.64 118.82 1gkj s THR 184 Ca 0.38 -0.66 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1gkj s THR 184 Cb -0.10 -2.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 1gkj s THR 184 CO 0.31 0.44 1.04 -0.76 -0.69 0.00 0.00 174.62 174.97 1gkj s LEU 185 N 1.41 3.81 0.00 4.42 1.43 -1.26 -5.07 118.68 123.42 1gkj s LEU 185 Ca 0.05 1.93 0.07 0.00 -1.03 0.00 0.00 54.13 55.15 1gkj s LEU 185 Cb -0.14 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.59 1gkj s LEU 185 CO -0.06 -0.84 0.56 0.00 0.23 0.00 0.00 176.35 176.24 1gkj n ALA 186 N -1.08 0.99 -1.54 4.21 0.00 -1.26 -4.82 120.51 117.01 1gkj n ALA 186 Ca 0.09 -2.14 -0.51 0.00 0.00 0.00 0.00 53.44 50.89 1gkj n ALA 186 Cb 0.52 0.76 -0.05 0.00 0.00 0.00 0.00 19.45 20.69 1gkj n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gkj n ALA 187 N -2.06 -1.60 0.00 0.00 0.00 -1.26 -1.67 120.51 113.92 1gkj n ALA 187 Ca -0.16 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1gkj n ALA 187 Cb 0.61 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1gkj n ALA 187 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gkj n LYS 188 N 1.62 0.00 0.11 0.00 3.00 -1.24 -4.83 118.16 116.83 1gkj n LYS 188 Ca 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.44 1gkj n LYS 188 Cb 0.21 -1.75 0.08 0.00 0.00 0.00 0.00 35.03 33.58 1gkj n LYS 188 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1gkj h GLU 189 N 1.20 0.04 0.02 1.64 5.08 -1.60 -0.25 114.58 120.70 1gkj h GLU 189 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1gkj h GLU 189 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1gkj h GLU 189 CO 0.00 0.75 -0.27 0.78 -1.00 0.00 0.00 179.01 179.27 1gkj h GLY 190 N 2.09 -0.42 1.42 -3.84 0.00 -1.87 -1.57 103.07 98.88 1gkj h GLY 190 Ca -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1gkj h GLY 190 CO 0.10 -0.22 0.05 1.41 0.00 0.00 0.00 176.54 177.88 1gkj h LEU 191 N -0.42 0.67 -0.97 3.11 3.38 -1.85 -1.17 115.31 118.07 1gkj h LEU 191 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1gkj h LEU 191 Cb 0.50 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1gkj h LEU 191 CO -0.22 0.71 0.43 0.00 0.09 0.00 0.00 178.44 179.45 1gkj h ALA 192 N 1.37 1.20 0.16 1.53 0.00 -0.71 -0.91 119.26 121.91 1gkj h ALA 192 Ca 0.14 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 1gkj h ALA 192 Cb 0.35 -0.33 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1gkj h ALA 192 CO 0.01 0.63 -1.27 -0.07 0.00 0.00 0.00 179.25 178.55 1gkj h LEU 193 N 1.16 0.83 0.19 0.00 3.38 -1.11 -3.39 115.31 116.37 1gkj h LEU 193 Ca 0.29 -0.86 -0.33 0.00 0.09 0.00 0.00 57.88 57.06 1gkj h LEU 193 Cb 0.06 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1gkj h LEU 193 CO -0.04 1.62 -1.58 -0.07 0.09 0.00 0.00 178.44 178.45 1gkj h LEU 194 N 0.17 0.63 -9.63 1.67 4.07 -1.07 -3.45 115.31 107.70 1gkj h LEU 194 Ca -0.20 -0.80 -0.51 0.00 0.08 0.00 0.00 57.88 56.44 1gkj h LEU 194 Cb 1.96 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.48 1gkj h LEU 194 CO 0.24 1.66 0.40 0.20 -1.08 0.00 0.00 178.44 179.86 1gkj s ASN 195 N -7.31 7.43 0.00 -0.43 0.02 -0.36 -3.66 114.94 110.64 1gkj s ASN 195 Ca -0.11 1.93 0.00 0.00 -1.02 0.00 0.00 52.86 53.66 1gkj s ASN 195 Cb 0.05 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.73 1gkj s ASN 195 CO 0.89 -0.09 0.00 0.61 0.02 0.00 0.00 177.10 178.53 1gkj n GLY 196 N 2.05 0.76 0.20 0.66 0.00 -1.24 -4.12 105.19 103.50 1gkj n GLY 196 Ca 0.02 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 44.97 1gkj n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gkj n THR 197 N -0.87 1.94 0.07 2.61 -2.24 -1.26 -0.53 114.28 113.99 1gkj n THR 197 Ca 0.00 -2.47 -0.03 0.00 -2.27 0.00 0.00 64.05 59.28 1gkj n THR 197 Cb 0.00 -0.23 0.20 0.00 -2.10 0.00 0.00 70.33 68.20 1gkj n THR 197 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1gkj h GLN 198 N 0.24 0.31 -0.14 -0.78 7.50 -1.94 -0.36 115.11 119.94 1gkj h GLN 198 Ca -0.00 -0.15 -0.06 0.00 0.50 0.00 0.00 58.65 58.94 1gkj h GLN 198 Cb 1.01 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.53 1gkj h GLN 198 CO 0.00 0.67 -0.16 0.00 -1.50 0.00 0.00 178.83 177.84 1gkj h ALA 199 N 1.31 0.20 -0.60 3.87 0.00 -1.91 0.05 119.26 122.19 1gkj h ALA 199 Ca 0.02 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.72 1gkj h ALA 199 Cb 0.84 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1gkj h ALA 199 CO 0.07 0.10 0.07 0.77 0.00 0.00 0.00 179.25 180.26 1gkj h SER 200 N -0.03 -0.12 -0.38 0.00 0.02 -1.88 0.26 113.55 111.42 1gkj h SER 200 Ca 0.02 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1gkj h SER 200 Cb 0.70 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1gkj h SER 200 CO 0.04 -0.05 -0.08 0.74 -1.14 0.00 0.00 176.83 176.34 1gkj h THR 201 N 0.19 1.28 -0.51 -2.27 2.02 -1.00 -1.90 112.91 110.72 1gkj h THR 201 Ca 0.31 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1gkj h THR 201 Cb 0.49 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1gkj h THR 201 CO -0.45 0.38 0.25 0.00 0.37 0.00 0.00 175.52 176.07 1gkj h ALA 202 N 0.83 0.65 -0.64 6.16 0.00 -0.59 0.16 119.26 125.84 1gkj h ALA 202 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gkj h ALA 202 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1gkj h ALA 202 CO 0.04 0.20 0.41 1.88 0.00 0.00 0.00 179.25 181.78 1gkj h TYR 203 N 0.67 0.81 -0.06 0.00 -1.99 -0.79 -1.53 116.97 114.09 1gkj h TYR 203 Ca 0.17 0.01 -0.20 0.00 2.00 0.00 0.00 58.73 60.71 1gkj h TYR 203 Cb 0.10 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.56 1gkj h TYR 203 CO -0.01 0.53 -0.81 0.00 -0.00 0.00 0.00 178.16 177.86 1gkj h ALA 204 N 1.22 0.48 -0.68 3.88 0.00 -1.06 -2.60 119.26 120.50 1gkj h ALA 204 Ca 0.23 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1gkj h ALA 204 Cb -0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gkj h ALA 204 CO -0.05 0.77 0.43 -0.07 0.00 0.00 0.00 179.25 180.34 1gkj h LEU 205 N 0.29 0.72 -0.54 0.00 3.38 -0.51 0.79 115.31 119.44 1gkj h LEU 205 Ca -0.05 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1gkj h LEU 205 Cb 1.42 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1gkj h LEU 205 CO 0.14 0.51 0.26 -0.09 0.09 0.00 0.00 178.44 179.35 1gkj h ARG 206 N 0.86 0.48 -0.87 1.13 2.43 -1.17 0.12 114.38 117.36 1gkj h ARG 206 Ca 0.26 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.50 1gkj h ARG 206 Cb -0.03 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.34 1gkj h ARG 206 CO -0.09 0.32 0.51 0.78 -1.51 0.00 0.00 179.97 179.98 1gkj h GLY 207 N 0.49 1.36 0.73 2.80 0.00 -0.98 -1.22 103.07 106.26 1gkj h GLY 207 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1gkj h GLY 207 CO -0.19 0.15 0.00 -2.00 0.00 0.00 0.00 176.54 174.50 1gkj h LEU 208 N 0.86 0.02 -0.83 3.11 5.85 0.49 -0.63 115.31 124.17 1gkj h LEU 208 Ca 0.42 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1gkj h LEU 208 Cb 0.37 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1gkj h LEU 208 CO -0.24 0.29 0.51 -0.26 -0.34 0.00 0.00 178.44 178.40 1gkj h PHE 209 N -0.25 0.95 -0.30 1.25 0.04 -0.57 0.17 116.94 118.24 1gkj h PHE 209 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1gkj h PHE 209 Cb 0.28 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1gkj h PHE 209 CO 0.02 0.50 0.14 1.88 -0.60 0.00 0.00 178.31 180.24 1gkj h TYR 210 N 0.95 0.44 -0.56 -0.55 0.05 -1.13 -0.64 116.97 115.53 1gkj h TYR 210 Ca 0.36 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.19 1gkj h TYR 210 Cb 0.14 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 1gkj h TYR 210 CO -0.04 0.41 0.22 0.00 -1.05 0.00 0.00 178.16 177.70 1gkj h ALA 211 N 0.99 0.71 -0.33 3.88 0.00 -0.33 0.56 119.26 124.74 1gkj h ALA 211 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1gkj h ALA 211 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gkj h ALA 211 CO -0.01 -0.18 0.15 0.93 0.00 0.00 0.00 179.25 180.14 1gkj h GLU 212 N 0.41 0.48 -0.49 0.00 5.08 -0.50 0.70 114.58 120.26 1gkj h GLU 212 Ca 0.27 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1gkj h GLU 212 Cb 0.30 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1gkj h GLU 212 CO -0.26 0.45 0.15 -0.44 -1.00 0.00 0.00 179.01 177.91 1gkj h ASP 213 N 0.39 0.12 -0.57 1.42 3.32 -0.56 -1.18 116.42 119.36 1gkj h ASP 213 Ca 0.11 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1gkj h ASP 213 Cb 0.14 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1gkj h ASP 213 CO -0.01 0.10 0.00 -0.07 -1.72 0.00 0.00 179.24 177.54 1gkj h LEU 214 N 0.31 0.98 0.04 1.55 3.38 -0.60 -1.63 115.31 119.33 1gkj h LEU 214 Ca 0.24 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1gkj h LEU 214 Cb 0.28 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1gkj h LEU 214 CO -0.27 1.04 -0.33 0.22 0.09 0.00 0.00 178.44 179.20 1gkj h TYR 215 N 0.88 -0.90 -0.47 1.13 5.03 -0.41 0.65 116.97 122.88 1gkj h TYR 215 Ca 0.16 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.51 1gkj h TYR 215 Cb 0.54 0.39 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 1gkj h TYR 215 CO 0.04 -0.42 0.31 0.00 -1.32 0.00 0.00 178.16 176.76 1gkj h ALA 216 N 0.19 0.60 -0.90 1.82 0.00 -1.06 -1.92 119.26 117.99 1gkj h ALA 216 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gkj h ALA 216 Cb 0.57 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1gkj h ALA 216 CO -0.24 0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.64 1gkj h ALA 217 N 1.18 1.36 0.00 0.00 0.00 -1.03 -2.72 119.26 118.05 1gkj h ALA 217 Ca 0.18 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1gkj h ALA 217 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1gkj h ALA 217 CO -0.05 0.59 -0.38 0.00 0.00 0.00 0.00 179.25 179.41 1gkj h ALA 218 N 1.44 1.38 -0.35 0.00 0.00 -0.13 -0.55 119.26 121.04 1gkj h ALA 218 Ca 0.33 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1gkj h ALA 218 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gkj h ALA 218 CO -0.08 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.43 1gkj h ILE 219 N 0.00 1.27 -0.36 0.00 1.08 -1.07 0.39 117.51 118.82 1gkj h ILE 219 Ca -0.00 -1.06 -0.06 0.00 -0.39 0.00 0.00 64.86 63.34 1gkj h ILE 219 Cb 0.66 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 1gkj h ILE 219 CO 0.05 0.35 -0.03 0.00 -0.69 0.00 0.00 178.15 177.83 1gkj h ALA 220 N 0.84 0.49 -0.29 1.87 0.00 -1.34 -1.24 119.26 119.59 1gkj h ALA 220 Ca 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1gkj h ALA 220 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gkj h ALA 220 CO 0.03 0.28 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 1gkj h GLY 222 N 0.30 1.32 0.98 0.00 0.00 -0.91 0.17 103.07 104.93 1gkj h GLY 222 Ca 0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1gkj h GLY 222 CO 0.02 0.36 0.10 -1.33 0.00 0.00 0.00 176.54 175.69 1gkj h GLY 223 N 1.11 0.86 1.14 4.60 0.00 -0.85 -1.28 103.07 108.64 1gkj h GLY 223 Ca 0.37 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1gkj h GLY 223 CO -0.12 0.52 0.40 1.41 0.00 0.00 0.00 176.54 178.74 1gkj h LEU 224 N 0.68 1.01 -0.50 3.11 3.38 -0.34 -2.20 115.31 120.44 1gkj h LEU 224 Ca 0.15 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1gkj h LEU 224 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1gkj h LEU 224 CO 0.01 0.84 -0.23 0.28 0.09 0.00 0.00 178.44 179.42 1gkj h SER 225 N 1.12 1.00 -0.65 -0.43 0.02 -0.41 -0.45 113.55 113.75 1gkj h SER 225 Ca 0.28 -0.39 0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1gkj h SER 225 Cb 0.08 -0.28 -0.10 0.00 0.14 0.00 0.00 62.40 62.25 1gkj h SER 225 CO -0.04 1.18 0.12 0.58 -1.14 0.00 0.00 176.83 177.53 1gkj h VAL 226 N 0.83 0.58 -0.43 2.27 2.07 -1.05 -2.25 116.25 118.27 1gkj h VAL 226 Ca 0.10 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 1gkj h VAL 226 Cb 0.81 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1gkj h VAL 226 CO 0.07 0.04 -0.30 -0.33 0.02 0.00 0.00 177.57 177.07 1gkj h GLU 227 N 0.24 0.97 -0.35 1.57 4.39 -1.09 0.22 114.58 120.53 1gkj h GLU 227 Ca 0.35 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1gkj h GLU 227 Cb 0.55 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1gkj h GLU 227 CO -0.46 1.13 0.20 0.00 -1.16 0.00 0.00 179.01 178.72 1gkj h ALA 228 N 0.82 1.69 -0.45 3.43 0.00 -0.63 -2.41 119.26 121.71 1gkj h ALA 228 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gkj h ALA 228 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1gkj h ALA 228 CO 0.08 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.93 1gkj n VAL 229 N -4.45 1.88 -3.32 0.00 0.24 -0.89 -4.73 118.33 107.06 1gkj n VAL 229 Ca 0.02 -1.39 -0.21 0.00 -2.04 0.00 0.00 64.34 60.72 1gkj n VAL 229 Cb 0.09 0.05 0.06 0.00 -1.47 0.00 0.00 33.84 32.57 1gkj n VAL 229 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1gkj n LEU 230 N 0.41 -3.05 -4.75 1.34 4.77 -0.91 -4.78 117.00 110.03 1gkj n LEU 230 Ca 0.21 -0.41 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1gkj n LEU 230 Cb 0.81 -2.73 0.15 0.00 -2.33 0.00 0.00 43.42 39.33 1gkj n LEU 230 CO 0.18 0.48 0.69 -0.83 -1.33 0.00 0.00 177.39 176.58 1gkj s GLY 231 N -3.13 1.57 0.11 -0.72 0.00 0.75 -4.88 107.32 101.02 1gkj s GLY 231 Ca 0.45 -0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 1gkj s GLY 231 CO 0.56 0.11 0.32 -0.45 0.00 0.00 0.00 173.10 173.64 1gkj s SER 232 N -3.82 6.45 0.13 1.64 0.15 -1.26 -4.83 113.70 112.15 1gkj s SER 232 Ca 0.64 0.48 0.24 0.00 0.70 0.00 0.00 55.95 58.01 1gkj s SER 232 Cb -0.16 -2.05 0.34 0.00 -1.71 0.00 0.00 66.02 62.44 1gkj s SER 232 CO 0.55 0.09 1.32 0.03 1.20 0.00 0.00 173.24 176.43 1gkj h ARG 233 N 2.92 0.00 -0.98 5.44 3.08 -1.96 -3.39 114.38 119.49 1gkj h ARG 233 Ca -0.46 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.72 1gkj h ARG 233 Cb 1.16 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 1gkj h ARG 233 CO 0.74 0.00 0.60 0.77 -1.07 0.00 0.00 179.97 181.01 1gkj h SER 234 N 0.00 0.86 0.00 7.04 0.02 -1.97 -1.44 113.55 118.06 1gkj h SER 234 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1gkj h SER 234 Cb 0.76 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1gkj h SER 234 CO 0.00 0.44 0.00 -2.65 -1.14 0.00 0.00 176.83 173.48 1gkj n PRO 235 N -4.66 0.09 0.00 3.45 -0.02 -1.26 -1.35 135.00 131.24 1gkj n PRO 235 Ca 0.19 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 1gkj n PRO 235 Cb 0.38 -1.79 0.34 0.00 -0.02 0.00 0.00 33.50 32.41 1gkj n PRO 235 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1gkj n PHE 236 N -1.97 0.00 -1.64 6.00 3.72 -0.54 -4.91 117.46 118.11 1gkj n PHE 236 Ca -0.01 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 56.87 1gkj n PHE 236 Cb 0.02 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 1gkj n PHE 236 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gkj n ASP 237 N 0.67 2.21 0.06 4.37 -0.08 -0.46 -4.80 116.55 118.53 1gkj n ASP 237 Ca 0.17 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.71 1gkj n ASP 237 Cb 0.46 -1.22 0.67 0.00 2.34 0.00 0.00 41.12 43.37 1gkj n ASP 237 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gkj h ALA 238 N 5.89 2.36 -0.12 -1.67 0.00 -1.93 -1.38 119.26 122.41 1gkj h ALA 238 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1gkj h ALA 238 Cb 1.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1gkj h ALA 238 CO 0.86 -0.48 -0.21 0.00 0.00 0.00 0.00 179.25 179.42 1gkj h ARG 239 N 0.01 0.21 -0.42 0.00 3.08 -1.98 -0.95 114.38 114.33 1gkj h ARG 239 Ca 0.19 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1gkj h ARG 239 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1gkj h ARG 239 CO -0.00 0.42 0.04 0.82 -1.07 0.00 0.00 179.97 180.18 1gkj h ILE 240 N 0.20 1.25 -0.00 2.04 2.04 -1.61 -1.97 117.51 119.45 1gkj h ILE 240 Ca 0.03 -0.93 -0.26 0.00 1.00 0.00 0.00 64.86 64.70 1gkj h ILE 240 Cb 0.49 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1gkj h ILE 240 CO 0.03 0.32 -1.01 0.45 0.00 0.00 0.00 178.15 177.94 1gkj h HIS 241 N 0.57 0.94 -1.01 1.37 3.86 -1.53 -2.23 115.15 117.12 1gkj h HIS 241 Ca 0.13 -0.51 0.05 0.00 -1.16 0.00 0.00 60.37 58.87 1gkj h HIS 241 Cb 0.42 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 1gkj h HIS 241 CO 0.03 1.34 0.66 1.49 0.86 0.00 0.00 177.93 182.31 1gkj h GLU 242 N 0.36 1.21 0.00 2.45 4.57 -1.20 -0.80 114.58 121.17 1gkj h GLU 242 Ca -0.12 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 57.91 1gkj h GLU 242 Cb 1.66 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1gkj h GLU 242 CO 0.19 0.80 -0.42 0.00 -1.18 0.00 0.00 179.01 178.41 1gkj h ALA 243 N 1.43 1.17 0.08 2.92 0.00 -1.09 -2.71 119.26 121.06 1gkj h ALA 243 Ca 0.41 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1gkj h ALA 243 Cb 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gkj h ALA 243 CO -0.14 0.52 -1.13 -0.09 0.00 0.00 0.00 179.25 178.41 1gkj h ARG 244 N 0.00 0.45 0.00 0.00 2.43 -0.77 -3.48 114.38 113.00 1gkj h ARG 244 Ca -0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1gkj h ARG 244 Cb 0.81 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1gkj h ARG 244 CO 0.05 1.23 0.00 0.41 -1.51 0.00 0.00 179.97 180.16 1gkj n GLY 245 N 1.25 1.56 3.67 2.80 0.00 -0.37 -5.03 105.19 109.07 1gkj n GLY 245 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1gkj n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gkj s GLN 246 N -0.80 4.28 0.23 1.61 -1.52 -1.26 -4.93 119.66 117.27 1gkj s GLN 246 Ca 0.00 1.63 -0.03 0.00 -1.95 0.00 0.00 55.36 55.00 1gkj s GLN 246 Cb 0.00 -3.68 0.22 0.00 -0.22 0.00 0.00 33.01 29.33 1gkj s GLN 246 CO 0.00 -0.61 1.65 -0.09 -0.25 0.00 0.00 175.29 176.00 1gkj h ARG 247 N 7.87 0.75 -0.73 2.91 9.65 -1.96 -1.29 114.38 131.58 1gkj h ARG 247 Ca -0.28 -0.29 -0.05 0.00 -1.10 0.00 0.00 59.98 58.26 1gkj h ARG 247 Cb 1.12 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1gkj h ARG 247 CO 0.94 0.89 0.28 0.78 2.80 0.00 0.00 179.97 185.66 1gkj h GLY 248 N 0.97 1.19 1.34 2.80 0.00 -1.92 -0.52 103.07 106.94 1gkj h GLY 248 Ca 0.10 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1gkj h GLY 248 CO 0.05 0.62 -0.32 -1.61 0.00 0.00 0.00 176.54 175.28 1gkj h GLN 249 N 1.06 0.74 -0.40 4.80 4.15 -1.68 0.51 115.11 124.29 1gkj h GLN 249 Ca 0.24 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1gkj h GLN 249 Cb 0.24 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1gkj h GLN 249 CO -0.02 0.96 0.09 0.82 -1.93 0.00 0.00 178.83 178.75 1gkj h ILE 250 N 0.62 1.23 -0.27 2.39 2.04 -0.83 0.69 117.51 123.39 1gkj h ILE 250 Ca 0.07 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 1gkj h ILE 250 Cb 0.85 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1gkj h ILE 250 CO 0.07 0.28 -0.34 0.44 0.00 0.00 0.00 178.15 178.60 1gkj h ASP 251 N 0.51 0.60 0.23 1.72 3.32 -0.91 -1.99 116.42 119.90 1gkj h ASP 251 Ca 0.12 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1gkj h ASP 251 Cb 0.32 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1gkj h ASP 251 CO 0.00 0.90 -0.11 0.74 -1.72 0.00 0.00 179.24 179.05 1gkj h THR 252 N 0.49 0.82 -0.87 0.35 2.02 -0.61 -1.63 112.91 113.47 1gkj h THR 252 Ca 0.05 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 66.97 1gkj h THR 252 Cb 0.83 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1gkj h THR 252 CO 0.07 0.08 0.57 0.00 0.37 0.00 0.00 175.52 176.60 1gkj h ALA 253 N 0.24 1.59 -0.36 6.16 0.00 -0.79 -1.03 119.26 125.07 1gkj h ALA 253 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gkj h ALA 253 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gkj h ALA 253 CO 0.05 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.60 1gkj h ALA 254 N 1.54 1.41 -0.25 0.00 0.00 -1.04 -0.79 119.26 120.13 1gkj h ALA 254 Ca 0.39 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1gkj h ALA 254 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gkj h ALA 254 CO -0.15 0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 1gkj h PHE 256 N 0.23 1.05 -0.52 0.00 0.04 -0.85 -1.41 116.94 115.48 1gkj h PHE 256 Ca 0.06 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1gkj h PHE 256 Cb 0.59 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1gkj h PHE 256 CO 0.06 0.62 0.12 0.00 -0.60 0.00 0.00 178.31 178.51 1gkj h ARG 257 N 1.10 0.84 -0.42 1.51 3.08 -1.04 0.11 114.38 119.55 1gkj h ARG 257 Ca 0.34 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1gkj h ARG 257 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1gkj h ARG 257 CO -0.11 0.81 0.25 0.22 -1.07 0.00 0.00 179.97 180.07 1gkj h ASP 258 N 0.73 0.40 -0.21 7.04 1.82 -0.91 0.19 116.42 125.47 1gkj h ASP 258 Ca 0.16 0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.61 1gkj h ASP 258 Cb 0.35 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.28 1gkj h ASP 258 CO 0.00 0.29 -0.62 -0.07 -1.61 0.00 0.00 179.24 177.23 1gkj h LEU 259 N 0.50 0.92 0.10 2.28 4.07 -0.92 -3.32 115.31 118.93 1gkj h LEU 259 Ca 0.17 -0.58 -0.26 0.00 0.08 0.00 0.00 57.88 57.28 1gkj h LEU 259 Cb 0.02 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 1gkj h LEU 259 CO -0.08 1.34 -1.22 -0.07 -1.08 0.00 0.00 178.44 177.32 1gkj h LEU 260 N 0.55 0.33 0.00 1.67 3.38 -0.66 -3.39 115.31 117.18 1gkj h LEU 260 Ca -0.02 -0.36 0.18 0.00 0.09 0.00 0.00 57.88 57.77 1gkj h LEU 260 Cb 1.24 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1gkj h LEU 260 CO 0.13 1.29 -0.24 0.61 0.09 0.00 0.00 178.44 180.32 1gkj n GLY 261 N 1.51 -1.91 0.15 0.83 0.00 0.65 -4.42 105.19 102.00 1gkj n GLY 261 Ca -0.08 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.68 1gkj n GLY 261 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gkj h ASP 262 N -0.61 0.00 -5.10 1.61 3.58 -1.96 -3.47 116.42 110.47 1gkj h ASP 262 Ca 0.01 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.61 1gkj h ASP 262 Cb 0.60 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.54 1gkj h ASP 262 CO 0.00 0.53 0.48 -0.94 -2.88 0.00 0.00 179.24 176.43 1gkj s SER 263 N -6.57 -0.25 0.25 2.28 1.04 -1.26 -4.98 113.70 104.21 1gkj s SER 263 Ca 0.00 -0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1gkj s SER 263 Cb 0.11 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1gkj s SER 263 CO 0.73 -0.82 0.34 -0.94 0.98 0.00 0.00 173.24 173.53 1gkj s SER 264 N -2.79 0.32 0.27 7.02 1.04 -1.26 -4.90 113.70 113.39 1gkj s SER 264 Ca 0.10 -1.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.23 1gkj s SER 264 Cb -0.01 0.52 0.36 0.00 0.10 0.00 0.00 66.02 66.99 1gkj s SER 264 CO -0.02 -1.06 1.86 -0.08 0.98 0.00 0.00 173.24 174.93 1gkj h GLU 265 N 2.35 1.00 -0.24 4.02 4.81 -1.78 0.71 114.58 125.45 1gkj h GLU 265 Ca -0.30 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1gkj h GLU 265 Cb 1.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1gkj h GLU 265 CO 0.43 0.79 0.11 0.28 -0.73 0.00 0.00 179.01 179.89 1gkj h VAL 266 N 0.99 1.15 -0.42 0.32 2.07 -1.63 -1.28 116.25 117.45 1gkj h VAL 266 Ca 0.24 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1gkj h VAL 266 Cb 0.14 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1gkj h VAL 266 CO -0.03 0.15 0.06 0.77 0.02 0.00 0.00 177.57 178.54 1gkj h SER 267 N 0.24 0.68 -0.38 0.57 4.64 -1.72 -2.94 113.55 114.66 1gkj h SER 267 Ca 0.08 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1gkj h SER 267 Cb 0.13 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1gkj h SER 267 CO -0.01 0.78 0.12 -0.07 -0.87 0.00 0.00 176.83 176.78 1gkj h LEU 268 N 0.56 0.60 0.00 5.97 3.38 -0.85 -2.53 115.31 122.44 1gkj h LEU 268 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gkj h LEU 268 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gkj h LEU 268 CO 0.01 0.60 0.00 -1.20 0.09 0.00 0.00 178.44 177.94 1gkj n SER 269 N -4.32 0.00 -2.20 -0.43 7.64 -0.49 -2.25 113.62 111.57 1gkj n SER 269 Ca 0.03 -0.41 -0.21 0.00 1.01 0.00 0.00 58.87 59.29 1gkj n SER 269 Cb 0.19 -0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1gkj n SER 269 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gkj n HIS 270 N -1.14 2.63 0.00 1.43 1.44 -0.95 -4.97 115.22 113.66 1gkj n HIS 270 Ca 0.15 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.49 1gkj n HIS 270 Cb 0.13 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 29.95 1gkj n HIS 270 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1gkj n LYS 271 N -0.64 0.00 -3.90 -1.40 4.01 -0.95 -2.65 118.16 112.63 1gkj n LYS 271 Ca 0.38 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.84 1gkj n LYS 271 Cb 0.90 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 35.29 1gkj n LYS 271 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1gkj s ASN 272 N 0.00 5.00 0.00 4.39 -0.87 -1.26 -4.92 114.94 117.28 1gkj s ASN 272 Ca 0.00 -2.01 0.09 0.00 -1.57 0.00 0.00 52.86 49.37 1gkj s ASN 272 Cb 0.00 -1.73 0.07 0.00 -0.02 0.00 0.00 41.25 39.57 1gkj s ASN 272 CO 0.00 -0.44 0.77 0.00 -2.57 0.00 0.00 177.10 174.85 1gkj n ALA 273 N 4.45 2.50 -0.06 0.60 0.00 -1.08 -4.69 120.51 122.23 1gkj n ALA 273 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.85 1gkj n ALA 273 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 1gkj n ALA 273 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gkj h ASP 274 N 1.69 0.00 0.00 0.00 5.19 -1.91 -3.38 116.42 118.02 1gkj h ASP 274 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gkj h ASP 274 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1gkj h ASP 274 CO 0.00 0.59 0.00 0.29 -3.12 0.00 0.00 179.24 177.00 1gkj n LYS 275 N -4.57 0.00 -3.69 3.56 5.02 -1.26 -3.59 118.16 113.63 1gkj n LYS 275 Ca -0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1gkj n LYS 275 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.04 1gkj n LYS 275 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gkj s VAL 276 N 0.00 0.01 0.20 -0.18 0.11 -1.26 -5.16 120.40 114.12 1gkj s VAL 276 Ca 0.00 -0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 58.72 1gkj s VAL 276 Cb 0.00 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1gkj s VAL 276 CO 0.00 -0.05 0.79 -1.10 -3.33 0.00 0.00 175.10 171.41 1gkj s GLN 277 N -0.22 4.52 0.27 1.54 -1.52 -1.24 -4.98 119.66 118.03 1gkj s GLN 277 Ca -0.04 1.13 -0.26 0.00 -1.95 0.00 0.00 55.36 54.24 1gkj s GLN 277 Cb -0.03 -3.14 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 1gkj s GLN 277 CO 0.03 0.51 0.89 -0.51 -0.25 0.00 0.00 175.29 175.95 1gkj s ASP 278 N -1.30 7.37 0.78 5.90 1.01 -1.26 -5.04 116.67 124.12 1gkj s ASP 278 Ca 0.39 1.77 -0.14 0.00 0.71 0.00 0.00 52.55 55.28 1gkj s ASP 278 Cb -0.21 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.23 1gkj s ASP 278 CO 0.25 0.03 1.23 -2.65 0.21 0.00 0.00 175.17 174.24 1gkj n PRO 279 N 0.90 0.37 -0.14 8.23 -0.02 -1.26 -4.63 135.00 138.44 1gkj n PRO 279 Ca -0.00 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1gkj n PRO 279 Cb 0.49 -2.46 0.51 0.00 -0.02 0.00 0.00 33.50 32.02 1gkj n PRO 279 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1gkj h PHE 280 N -0.62 0.47 0.00 6.00 -1.00 -1.96 -0.33 116.94 119.49 1gkj h PHE 280 Ca -0.47 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1gkj h PHE 280 Cb 1.31 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1gkj h PHE 280 CO 0.45 0.19 0.00 0.66 -1.61 0.00 0.00 178.31 178.00 1gkj h SER 281 N 0.41 0.00 0.00 2.17 4.64 -1.92 0.73 113.55 119.58 1gkj h SER 281 Ca 0.35 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 1gkj h SER 281 Cb 0.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1gkj h SER 281 CO -0.11 0.00 -1.19 0.18 -0.87 0.00 0.00 176.83 174.84 1gkj n LEU 282 N -2.89 1.89 0.23 5.97 4.77 -0.38 -4.44 117.00 122.15 1gkj n LEU 282 Ca -0.01 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1gkj n LEU 282 Cb 0.18 -0.83 0.47 0.00 -2.33 0.00 0.00 43.42 40.91 1gkj n LEU 282 CO 0.22 -0.09 0.83 -0.09 -1.33 0.00 0.00 177.39 176.93 1gkj h ARG 283 N -1.00 0.00 -0.54 3.23 2.43 -1.00 -2.54 114.38 114.95 1gkj h ARG 283 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1gkj h ARG 283 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1gkj h ARG 283 CO -0.11 0.17 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 1gkj h GLN 285 N 3.36 0.24 -0.83 0.00 4.20 -1.59 0.12 115.11 120.62 1gkj h GLN 285 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1gkj h GLN 285 Cb 1.22 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1gkj h GLN 285 CO 0.14 0.16 0.52 -1.35 -0.67 0.00 0.00 178.83 177.64 1gkj h PRO 286 N 0.25 1.10 -0.22 1.46 0.11 -1.83 0.50 132.00 133.38 1gkj h PRO 286 Ca 0.29 -0.08 -0.21 0.00 0.11 0.00 0.00 66.00 66.12 1gkj h PRO 286 Cb 0.43 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.30 1gkj h PRO 286 CO -0.38 0.75 -0.67 1.96 -0.21 0.00 0.00 178.00 179.46 1gkj h GLN 287 N 1.13 0.83 0.00 1.05 7.50 -1.71 0.46 115.11 124.37 1gkj h GLN 287 Ca 0.30 -0.61 -0.00 0.00 0.50 0.00 0.00 58.65 58.84 1gkj h GLN 287 Cb -0.08 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 1gkj h GLN 287 CO -0.06 1.23 -0.02 0.28 -1.50 0.00 0.00 178.83 178.75 1gkj h VAL 288 N 0.60 1.77 -0.30 -0.54 2.07 -0.84 -2.37 116.25 116.64 1gkj h VAL 288 Ca -0.02 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.09 1gkj h VAL 288 Cb 1.29 3.35 -0.02 0.00 -1.52 0.00 0.00 31.29 34.39 1gkj h VAL 288 CO 0.14 0.60 -0.12 0.24 0.02 0.00 0.00 177.57 178.46 1gkj h MET 289 N -1.00 0.50 -0.62 1.57 2.86 -1.03 -1.84 114.93 115.37 1gkj h MET 289 Ca -0.01 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1gkj h MET 289 Cb 1.00 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1gkj h MET 289 CO -0.00 0.61 0.33 0.78 1.06 0.00 0.00 176.91 179.69 1gkj h GLY 290 N 0.92 0.93 1.22 8.32 0.00 -0.98 0.91 103.07 114.39 1gkj h GLY 290 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1gkj h GLY 290 CO 0.03 0.41 0.40 0.00 0.00 0.00 0.00 176.54 177.38 1gkj h ALA 291 N 1.15 1.33 -0.74 3.60 0.00 -0.80 -0.61 119.26 123.20 1gkj h ALA 291 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gkj h ALA 291 Cb 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1gkj h ALA 291 CO -0.03 0.55 0.34 0.00 0.00 0.00 0.00 179.25 180.11 1gkj h LEU 293 N 1.04 0.74 -0.29 0.00 5.85 0.14 0.26 115.31 123.05 1gkj h LEU 293 Ca 0.25 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1gkj h LEU 293 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1gkj h LEU 293 CO -0.03 0.79 0.19 0.74 -0.34 0.00 0.00 178.44 179.79 1gkj h THR 294 N 0.65 1.09 -0.69 1.05 2.02 -0.81 -0.37 112.91 115.85 1gkj h THR 294 Ca 0.15 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1gkj h THR 294 Cb 0.36 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 1gkj h THR 294 CO 0.01 0.09 0.31 -0.61 0.37 0.00 0.00 175.52 175.68 1gkj h GLN 295 N 0.39 0.50 0.00 6.66 4.15 -1.05 0.58 115.11 126.34 1gkj h GLN 295 Ca 0.11 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 1gkj h GLN 295 Cb -0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1gkj h GLN 295 CO -0.02 0.33 -0.77 1.37 -1.93 0.00 0.00 178.83 177.81 1gkj h LEU 296 N 0.52 0.00 -0.62 -2.39 8.10 -0.28 -2.23 115.31 118.41 1gkj h LEU 296 Ca 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.29 1gkj h LEU 296 Cb 0.42 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.61 1gkj h LEU 296 CO -0.30 0.77 0.19 0.03 -4.11 0.00 0.00 178.44 175.02 1gkj h ARG 297 N 0.00 0.96 -0.63 0.17 3.08 -0.65 0.39 114.38 117.70 1gkj h ARG 297 Ca -0.01 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 59.90 1gkj h ARG 297 Cb 1.49 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 1gkj h ARG 297 CO 0.10 0.85 0.32 1.96 -1.07 0.00 0.00 179.97 182.13 1gkj h GLN 298 N 0.88 0.57 -0.40 0.04 4.20 -0.68 -1.02 115.11 118.69 1gkj h GLN 298 Ca 0.20 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1gkj h GLN 298 Cb 0.29 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1gkj h GLN 298 CO -0.01 0.37 0.14 0.00 -0.67 0.00 0.00 178.83 178.66 1gkj h ALA 299 N 1.36 0.53 -0.47 3.87 0.00 -1.19 -3.01 119.26 120.35 1gkj h ALA 299 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1gkj h ALA 299 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1gkj h ALA 299 CO -0.21 0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.20 1gkj h ALA 300 N 0.98 1.11 -0.62 0.00 0.00 -0.54 0.15 119.26 120.34 1gkj h ALA 300 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gkj h ALA 300 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1gkj h ALA 300 CO -0.01 0.57 0.39 1.49 0.00 0.00 0.00 179.25 181.69 1gkj h GLU 301 N 0.73 0.83 -0.33 0.00 4.81 -1.14 0.21 114.58 119.68 1gkj h GLU 301 Ca 0.14 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1gkj h GLU 301 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1gkj h GLU 301 CO 0.02 0.58 -0.19 0.28 -0.73 0.00 0.00 179.01 178.97 1gkj h VAL 302 N 0.84 1.29 -0.03 0.32 2.07 -1.26 -2.72 116.25 116.75 1gkj h VAL 302 Ca 0.22 -1.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.30 1gkj h VAL 302 Cb -0.05 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1gkj h VAL 302 CO -0.04 0.43 -0.57 -0.07 0.02 0.00 0.00 177.57 177.34 1gkj h LEU 303 N 0.49 0.09 -0.44 2.57 3.38 -0.82 -1.01 115.31 119.56 1gkj h LEU 303 Ca 0.07 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1gkj h LEU 303 Cb 0.74 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1gkj h LEU 303 CO 0.06 0.64 -0.20 1.23 0.09 0.00 0.00 178.44 180.25 1gkj h GLY 304 N 1.61 0.99 0.99 0.83 0.00 -0.53 -0.53 103.07 106.43 1gkj h GLY 304 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1gkj h GLY 304 CO 0.08 0.81 0.05 -2.22 0.00 0.00 0.00 176.54 175.26 1gkj h ILE 305 N 0.75 1.03 0.00 2.60 1.08 -1.42 -3.09 117.51 118.45 1gkj h ILE 305 Ca 0.10 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1gkj h ILE 305 Cb 0.77 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1gkj h ILE 305 CO 0.06 0.03 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.19 1gkj h GLU 306 N 0.10 0.00 0.00 2.37 4.57 -0.91 -1.38 114.58 119.33 1gkj h GLU 306 Ca 0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1gkj h GLU 306 Cb -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1gkj h GLU 306 CO -0.01 0.28 -0.00 0.00 -1.18 0.00 0.00 179.01 178.10 1gkj h ALA 307 N 1.72 1.13 -0.02 2.92 0.00 -1.01 -2.32 119.26 121.68 1gkj h ALA 307 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gkj h ALA 307 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gkj h ALA 307 CO 0.04 0.01 -0.07 0.09 0.00 0.00 0.00 179.25 179.31 1gkj n ASN 308 N -3.27 2.04 -4.78 0.00 3.02 -0.56 -4.66 115.26 107.04 1gkj n ASN 308 Ca -0.03 -1.52 -0.37 0.00 -0.03 0.00 0.00 54.58 52.64 1gkj n ASN 308 Cb 0.09 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1gkj n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkj s ALA 309 N -1.35 3.01 -0.61 5.41 0.00 -0.88 -4.63 121.76 122.71 1gkj s ALA 309 Ca 0.16 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 1gkj s ALA 309 Cb 0.12 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.92 1gkj s ALA 309 CO 0.23 -0.48 1.32 0.08 0.00 0.00 0.00 175.76 176.91 1gkj s VAL 310 N -1.60 3.84 -0.48 0.00 1.01 -1.26 -4.58 120.40 117.32 1gkj s VAL 310 Ca 0.62 0.68 0.05 0.00 0.00 0.00 0.00 61.98 63.32 1gkj s VAL 310 Cb -0.26 -4.63 0.09 0.00 0.00 0.00 0.00 36.38 31.58 1gkj s VAL 310 CO 0.32 -1.38 0.92 -1.54 0.00 0.00 0.00 175.10 173.41 1gkj n SER 311 N 9.25 1.97 -2.00 3.32 3.41 -1.26 -4.88 113.62 123.43 1gkj n SER 311 Ca 0.09 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1gkj n SER 311 Cb 0.49 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1gkj n SER 311 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gkj n ASP 312 N 0.07 0.00 -3.62 4.04 5.75 -1.26 -2.52 116.55 119.02 1gkj n ASP 312 Ca 0.04 -0.64 -0.08 0.00 -0.01 0.00 0.00 54.79 54.10 1gkj n ASP 312 Cb 0.24 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 1gkj n ASP 312 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1gkj s ASN 313 N -1.00 -0.35 0.77 -1.12 2.47 -1.26 -4.53 114.94 109.92 1gkj s ASN 313 Ca 0.00 0.58 -0.11 0.00 0.42 0.00 0.00 52.86 53.75 1gkj s ASN 313 Cb 0.00 0.55 0.05 0.00 -1.45 0.00 0.00 41.25 40.41 1gkj s ASN 313 CO 0.00 -0.19 1.08 -2.16 -3.72 0.00 0.00 177.10 172.11 1gkj s PRO 314 N -0.28 2.34 0.09 0.43 0.04 -1.26 -4.62 135.00 131.74 1gkj s PRO 314 Ca 0.02 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1gkj s PRO 314 Cb -0.03 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1gkj s PRO 314 CO -0.05 -1.51 0.26 -0.51 0.04 0.00 0.00 177.00 175.23 1gkj s LEU 315 N -5.78 4.33 -0.22 -3.56 1.43 -0.22 -4.85 118.68 109.80 1gkj s LEU 315 Ca 0.60 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1gkj s LEU 315 Cb -0.15 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 1gkj s LEU 315 CO 0.55 0.13 -0.02 -0.69 0.23 0.00 0.00 176.35 176.55 1gkj s VAL 316 N -1.57 3.57 -0.86 -1.59 1.01 0.90 -0.91 120.40 120.95 1gkj s VAL 316 Ca 0.37 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1gkj s VAL 316 Cb -0.13 -2.63 0.21 0.00 0.00 0.00 0.00 36.38 33.83 1gkj s VAL 316 CO 0.27 0.41 0.73 -0.36 0.00 0.00 0.00 175.10 176.15 1gkj s PHE 317 N 1.46 3.84 0.33 5.22 0.08 0.82 -4.50 117.98 125.24 1gkj s PHE 317 Ca 0.05 -3.10 0.02 0.00 0.12 0.00 0.00 56.93 54.02 1gkj s PHE 317 Cb -0.14 -3.13 0.58 0.00 -0.57 0.00 0.00 43.02 39.75 1gkj s PHE 317 CO -0.02 -0.70 1.95 0.00 -0.10 0.00 0.00 175.22 176.36 1gkj h ALA 318 N 5.86 1.45 -0.91 5.36 0.00 -1.88 0.81 119.26 129.95 1gkj h ALA 318 Ca 0.16 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.13 1gkj h ALA 318 Cb 0.80 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1gkj h ALA 318 CO 0.83 0.45 0.58 0.00 0.00 0.00 0.00 179.25 181.11 1gkj h ALA 319 N 1.53 1.89 0.00 0.00 0.00 -1.94 -2.43 119.26 118.31 1gkj h ALA 319 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1gkj h ALA 319 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gkj h ALA 319 CO -0.03 -0.16 -1.65 0.39 0.00 0.00 0.00 179.25 177.80 1gkj n GLU 320 N -4.57 0.47 -0.80 0.00 4.71 -0.69 -4.98 120.64 114.77 1gkj n GLU 320 Ca 0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1gkj n GLU 320 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1gkj n GLU 320 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gkj n GLY 321 N 1.35 0.62 3.87 0.62 0.00 0.19 -5.05 105.19 106.80 1gkj n GLY 321 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1gkj n GLY 321 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkj s ASP 322 N -2.08 6.58 -0.08 1.61 1.01 -0.98 -4.94 116.67 117.78 1gkj s ASP 322 Ca 0.00 0.69 0.05 0.00 0.71 0.00 0.00 52.55 54.00 1gkj s ASP 322 Cb 0.00 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.79 1gkj s ASP 322 CO 0.00 0.25 -0.24 -0.69 0.21 0.00 0.00 175.17 174.70 1gkj s VAL 323 N -1.27 2.05 -0.04 -1.27 1.01 -1.26 -0.12 120.40 119.50 1gkj s VAL 323 Ca 0.27 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gkj s VAL 323 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1gkj s VAL 323 CO 0.15 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.17 1gkj s ILE 324 N 0.15 0.29 -0.20 2.22 1.01 -0.08 -4.95 121.20 119.64 1gkj s ILE 324 Ca -0.13 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 1gkj s ILE 324 Cb -0.16 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1gkj s ILE 324 CO 0.07 0.18 0.74 -0.55 0.00 0.00 0.00 174.94 175.37 1gkj s SER 325 N 1.05 6.80 0.00 3.58 0.15 -1.26 -1.05 113.70 122.96 1gkj s SER 325 Ca -0.09 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1gkj s SER 325 Cb -0.14 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1gkj s SER 325 CO -0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1gkj n GLY 326 N 3.69 5.34 2.44 9.45 0.00 -1.26 -5.03 105.19 119.82 1gkj n GLY 326 Ca 0.02 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1gkj n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkj n GLY 327 N 2.18 1.77 0.03 -0.02 0.00 -1.26 -4.91 105.19 102.99 1gkj n GLY 327 Ca 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1gkj n GLY 327 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkj n ASN 328 N -0.32 0.19 0.02 1.61 3.02 -1.26 -1.63 115.26 116.88 1gkj n ASN 328 Ca 0.08 0.54 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 1gkj n ASN 328 Cb 0.90 -0.58 0.37 0.00 -0.61 0.00 0.00 39.78 39.85 1gkj n ASN 328 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1gkj n PHE 329 N -1.70 0.10 -2.57 3.10 1.16 -1.05 -4.69 117.46 111.80 1gkj n PHE 329 Ca 0.04 0.04 -0.43 0.00 -1.87 0.00 0.00 57.45 55.23 1gkj n PHE 329 Cb 0.22 -0.56 -0.02 0.00 -1.61 0.00 0.00 39.48 37.51 1gkj n PHE 329 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1gkj s HIS 330 N -3.03 2.90 -0.47 2.97 2.46 -0.64 -2.96 115.29 116.51 1gkj s HIS 330 Ca 0.08 0.92 0.04 0.00 0.47 0.00 0.00 55.06 56.57 1gkj s HIS 330 Cb 0.11 -4.08 0.34 0.00 -0.13 0.00 0.00 32.58 28.82 1gkj s HIS 330 CO 0.31 -1.19 1.21 0.00 -2.47 0.00 0.00 174.74 172.61 1gkj n ALA 331 N 7.51 3.46 -0.30 1.58 0.00 -0.66 -4.60 120.51 127.50 1gkj n ALA 331 Ca 0.13 -1.05 0.10 0.00 0.00 0.00 0.00 53.44 52.61 1gkj n ALA 331 Cb 0.48 -1.12 0.23 0.00 0.00 0.00 0.00 19.45 19.04 1gkj n ALA 331 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1gkj h GLU 332 N 1.24 0.09 -0.06 0.00 4.57 -1.89 0.28 114.58 118.81 1gkj h GLU 332 Ca 0.12 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1gkj h GLU 332 Cb 1.46 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 1gkj h GLU 332 CO 0.34 0.06 -0.29 -1.00 -1.18 0.00 0.00 179.01 176.94 1gkj h PRO 333 N 0.09 0.10 -0.37 0.92 0.13 -1.99 -1.79 132.00 129.09 1gkj h PRO 333 Ca 0.51 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.50 1gkj h PRO 333 Cb 0.98 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1gkj h PRO 333 CO -0.76 0.39 -0.16 0.28 -0.23 0.00 0.00 178.00 177.52 1gkj h VAL 334 N 0.09 1.28 -0.53 1.56 2.07 -1.35 -1.17 116.25 118.20 1gkj h VAL 334 Ca 0.01 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1gkj h VAL 334 Cb 0.57 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1gkj h VAL 334 CO 0.04 0.42 0.18 0.00 0.02 0.00 0.00 177.57 178.24 1gkj h ALA 335 N 0.80 1.32 -0.14 1.67 0.00 -0.68 -0.08 119.26 122.15 1gkj h ALA 335 Ca 0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1gkj h ALA 335 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1gkj h ALA 335 CO 0.05 0.50 -0.57 0.52 0.00 0.00 0.00 179.25 179.75 1gkj h MET 336 N 0.77 0.45 -0.93 0.00 2.86 -1.28 -1.29 114.93 115.52 1gkj h MET 336 Ca 0.18 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1gkj h MET 336 Cb 0.20 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1gkj h MET 336 CO -0.01 0.90 0.58 0.00 1.06 0.00 0.00 176.91 179.44 1gkj h ALA 337 N 1.04 1.19 -0.23 6.32 0.00 -0.55 0.12 119.26 127.14 1gkj h ALA 337 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1gkj h ALA 337 Cb 1.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gkj h ALA 337 CO 0.10 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.86 1gkj h ALA 338 N 1.32 0.32 -0.80 0.00 0.00 -0.82 -0.63 119.26 118.66 1gkj h ALA 338 Ca 0.34 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gkj h ALA 338 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1gkj h ALA 338 CO -0.07 0.17 0.53 -0.44 0.00 0.00 0.00 179.25 179.45 1gkj h ASP 339 N 0.19 0.89 -0.09 0.00 3.32 -0.95 -1.24 116.42 118.54 1gkj h ASP 339 Ca 0.05 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1gkj h ASP 339 Cb 0.61 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1gkj h ASP 339 CO 0.03 0.63 0.01 0.78 -1.72 0.00 0.00 179.24 178.98 1gkj h ASN 340 N 1.04 0.00 0.04 6.45 2.35 -0.42 -2.48 115.58 122.56 1gkj h ASN 340 Ca 0.30 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1gkj h ASN 340 Cb -0.06 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1gkj h ASN 340 CO -0.08 0.02 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.62 1gkj h LEU 341 N 0.05 0.00 -0.42 1.61 3.38 -0.12 -2.24 115.31 117.57 1gkj h LEU 341 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1gkj h LEU 341 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1gkj h LEU 341 CO -0.05 0.03 0.25 0.00 0.09 0.00 0.00 178.44 178.76 1gkj h ALA 342 N 1.97 0.53 -0.83 1.53 0.00 -0.79 -0.40 119.26 121.28 1gkj h ALA 342 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1gkj h ALA 342 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1gkj h ALA 342 CO 0.00 -0.06 0.55 -0.07 0.00 0.00 0.00 179.25 179.67 1gkj h LEU 343 N 0.52 0.92 -0.33 0.00 3.38 -1.34 -0.30 115.31 118.16 1gkj h LEU 343 Ca 0.16 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1gkj h LEU 343 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1gkj h LEU 343 CO -0.07 0.66 -0.50 0.00 0.09 0.00 0.00 178.44 178.63 1gkj h ALA 344 N 1.50 0.50 -0.48 1.53 0.00 -1.35 -1.48 119.26 119.48 1gkj h ALA 344 Ca 0.31 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1gkj h ALA 344 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gkj h ALA 344 CO -0.08 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.49 1gkj h ILE 345 N 0.71 1.27 -0.29 0.00 2.04 -0.84 -1.49 117.51 118.90 1gkj h ILE 345 Ca 0.03 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.58 1gkj h ILE 345 Cb 1.10 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1gkj h ILE 345 CO 0.11 0.46 0.10 0.00 0.00 0.00 0.00 178.15 178.83 1gkj h ALA 346 N 0.87 0.33 0.00 1.87 0.00 -1.03 -2.87 119.26 118.43 1gkj h ALA 346 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1gkj h ALA 346 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1gkj h ALA 346 CO 0.06 -0.31 -0.57 0.93 0.00 0.00 0.00 179.25 179.37 1gkj h GLU 347 N 0.23 0.00 -0.75 0.00 4.39 -1.13 -0.29 114.58 117.04 1gkj h GLU 347 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1gkj h GLU 347 Cb 0.10 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1gkj h GLU 347 CO -0.14 0.57 0.48 0.82 -1.16 0.00 0.00 179.01 179.58 1gkj h ILE 348 N 0.00 1.20 -0.28 3.13 2.04 -1.23 -1.83 117.51 120.53 1gkj h ILE 348 Ca -0.01 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 1gkj h ILE 348 Cb 1.33 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1gkj h ILE 348 CO 0.07 0.20 -0.48 1.23 0.00 0.00 0.00 178.15 179.17 1gkj h GLY 349 N 1.01 0.84 0.97 5.37 0.00 -1.24 -2.31 103.07 107.71 1gkj h GLY 349 Ca 0.27 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.69 1gkj h GLY 349 CO -0.06 0.83 0.13 0.23 0.00 0.00 0.00 176.54 177.68 1gkj h SER 350 N 0.61 0.22 -0.52 0.19 0.87 -0.90 0.14 113.55 114.16 1gkj h SER 350 Ca 0.03 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1gkj h SER 350 Cb 1.05 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1gkj h SER 350 CO 0.10 0.16 -0.08 0.25 -0.53 0.00 0.00 176.83 176.74 1gkj h LEU 351 N 0.28 0.99 -0.48 2.23 5.85 -1.31 -2.22 115.31 120.65 1gkj h LEU 351 Ca 0.09 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1gkj h LEU 351 Cb -0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1gkj h LEU 351 CO -0.03 1.09 0.06 -1.28 -0.34 0.00 0.00 178.44 177.93 1gkj h SER 352 N 0.90 0.78 -0.83 1.25 0.87 -1.19 -1.73 113.55 113.59 1gkj h SER 352 Ca 0.15 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1gkj h SER 352 Cb 0.63 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1gkj h SER 352 CO 0.04 0.86 0.53 -0.08 -0.53 0.00 0.00 176.83 177.65 1gkj h GLU 353 N 0.68 0.99 -0.04 2.24 4.22 -0.76 0.24 114.58 122.15 1gkj h GLU 353 Ca 0.14 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.43 1gkj h GLU 353 Cb 0.42 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1gkj h GLU 353 CO 0.01 0.66 -0.41 0.00 -2.18 0.00 0.00 179.01 177.09 1gkj h ARG 354 N 1.02 0.08 -0.70 1.92 2.47 -1.02 -0.06 114.38 118.10 1gkj h ARG 354 Ca 0.33 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.96 1gkj h ARG 354 Cb 0.03 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1gkj h ARG 354 CO -0.12 0.48 0.20 0.00 0.56 0.00 0.00 179.97 181.09 1gkj h ARG 355 N 0.07 1.10 -0.39 0.04 3.08 -0.31 -1.23 114.38 116.74 1gkj h ARG 355 Ca 0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1gkj h ARG 355 Cb 0.76 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1gkj h ARG 355 CO 0.06 0.96 0.25 0.82 -1.07 0.00 0.00 179.97 180.98 1gkj h ILE 356 N 1.04 1.11 -0.56 2.04 2.04 -0.53 -1.76 117.51 120.89 1gkj h ILE 356 Ca 0.22 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1gkj h ILE 356 Cb 0.33 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1gkj h ILE 356 CO -0.00 0.11 0.25 -1.28 0.00 0.00 0.00 178.15 177.23 1gkj h SER 357 N 0.52 0.71 -0.37 1.72 0.87 -0.80 -1.76 113.55 114.45 1gkj h SER 357 Ca 0.14 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1gkj h SER 357 Cb -0.04 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 1gkj h SER 357 CO -0.03 0.62 0.09 0.25 -0.53 0.00 0.00 176.83 177.23 1gkj h LEU 358 N 0.79 0.04 -1.71 2.23 6.46 -0.81 -2.13 115.31 120.18 1gkj h LEU 358 Ca 0.19 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1gkj h LEU 358 Cb 0.11 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1gkj h LEU 358 CO -0.02 0.06 0.00 0.24 -0.62 0.00 0.00 178.44 178.10 1gkj h MET 359 N 0.22 0.00 0.00 1.25 2.86 -0.47 -1.57 114.93 117.21 1gkj h MET 359 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1gkj h MET 359 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1gkj h MET 359 CO -0.22 0.00 -0.38 0.52 1.06 0.00 0.00 176.91 177.89 1gkj h MET 360 N 0.00 0.00 -4.74 1.72 2.86 -0.83 -3.41 114.93 110.53 1gkj h MET 360 Ca 0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 1gkj h MET 360 Cb 0.25 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.72 1gkj h MET 360 CO 0.00 0.00 -0.23 0.34 1.06 0.00 0.00 176.91 178.08 1gkj s ASP 361 N -4.75 6.18 0.66 1.22 -1.08 -0.59 -1.90 116.67 116.40 1gkj s ASP 361 Ca 0.07 -0.82 0.36 0.00 -0.52 0.00 0.00 52.55 51.64 1gkj s ASP 361 Cb 0.11 -2.21 1.95 0.00 -1.46 0.00 0.00 42.92 41.31 1gkj s ASP 361 CO 0.68 -0.60 2.12 0.50 0.52 0.00 0.00 175.17 178.40 1gkj h LYS 362 N 8.74 0.00 0.00 4.34 3.64 -1.84 0.80 116.57 132.25 1gkj h LYS 362 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1gkj h LYS 362 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1gkj h LYS 362 CO 0.81 0.00 -0.51 0.72 -2.27 0.00 0.00 179.45 178.20 1gkj n HIS 363 N -3.11 0.34 -0.00 1.91 8.25 -1.26 -4.04 115.22 117.30 1gkj n HIS 363 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1gkj n HIS 363 Cb 0.26 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 30.84 1gkj n HIS 363 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1gkj n MET 364 N -1.86 1.00 0.13 -0.41 2.81 -0.10 -4.82 117.12 113.87 1gkj n MET 364 Ca 0.04 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1gkj n MET 364 Cb 0.40 -1.03 0.04 0.00 -0.71 0.00 0.00 33.22 31.91 1gkj n MET 364 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1gkj h SER 365 N 0.00 0.00 -4.15 7.83 4.64 -1.06 -3.48 113.55 117.33 1gkj h SER 365 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 1gkj h SER 365 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1gkj h SER 365 CO 0.00 0.06 -0.42 0.00 -0.87 0.00 0.00 176.83 175.59 1gkj n GLN 366 N -2.82 -2.72 -4.35 4.77 6.02 -1.26 -4.47 117.38 112.56 1gkj n GLN 366 Ca 0.00 0.65 -0.18 0.00 -0.01 0.00 0.00 57.00 57.47 1gkj n GLN 366 Cb 0.57 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 26.42 1gkj n GLN 366 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1gkj s LEU 367 N -5.96 2.22 0.60 1.08 1.43 -1.26 -5.05 118.68 111.73 1gkj s LEU 367 Ca 0.12 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 51.80 1gkj s LEU 367 Cb -0.06 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1gkj s LEU 367 CO 0.14 -0.50 1.16 -2.65 0.23 0.00 0.00 176.35 174.74 1gkj n PRO 368 N -0.46 1.16 -1.68 1.29 -0.02 -1.26 -4.50 135.00 129.53 1gkj n PRO 368 Ca -0.05 0.44 -0.44 0.00 -2.02 0.00 0.00 63.50 61.44 1gkj n PRO 368 Cb 0.64 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1gkj n PRO 368 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gkj n PRO 369 N -1.27 2.12 -1.79 0.52 -0.04 -1.26 -1.16 135.00 132.11 1gkj n PRO 369 Ca 0.14 0.75 -0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1gkj n PRO 369 Cb 0.47 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1gkj n PRO 369 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1gkj n PHE 370 N 1.49 -0.93 -2.70 0.54 3.01 -0.80 -2.92 117.46 115.15 1gkj n PHE 370 Ca 0.09 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.38 1gkj n PHE 370 Cb 0.33 -2.36 0.02 0.00 -0.01 0.00 0.00 39.48 37.46 1gkj n PHE 370 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1gkj n LEU 371 N -2.15 -2.25 -3.85 4.37 4.77 -0.31 -1.28 117.00 116.30 1gkj n LEU 371 Ca -0.11 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 1gkj n LEU 371 Cb 0.45 -2.44 -0.13 0.00 -2.33 0.00 0.00 43.42 38.97 1gkj n LEU 371 CO 0.15 0.08 -0.27 0.54 -1.33 0.00 0.00 177.39 176.57 1gkj s VAL 372 N -2.98 0.01 0.47 4.08 0.11 -1.15 -4.82 120.40 116.12 1gkj s VAL 372 Ca 0.17 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.91 1gkj s VAL 372 Cb -0.08 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.56 1gkj s VAL 372 CO 0.21 -0.04 1.26 -1.61 -3.33 0.00 0.00 175.10 171.59 1gkj s GLU 373 N -0.10 3.63 -1.13 1.54 8.01 -1.26 -4.19 118.70 125.20 1gkj s GLU 373 Ca -0.02 2.02 -0.10 0.00 0.01 0.00 0.00 54.97 56.88 1gkj s GLU 373 Cb -0.01 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.31 1gkj s GLU 373 CO 0.00 -0.72 0.84 0.09 0.01 0.00 0.00 175.26 175.48 1gkj n ASN 374 N -0.47 -5.07 0.08 -0.19 5.03 -1.26 -4.76 115.26 108.61 1gkj n ASN 374 Ca 0.07 -0.84 0.10 0.00 0.87 0.00 0.00 54.58 54.78 1gkj n ASN 374 Cb 0.46 -4.35 0.42 0.00 -1.02 0.00 0.00 39.78 35.29 1gkj n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gkj n GLY 375 N -1.45 -1.18 0.29 7.41 0.00 -1.26 -2.41 105.19 106.59 1gkj n GLY 375 Ca -0.13 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1gkj n GLY 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gkj h GLY 376 N 2.41 0.00 0.00 -0.02 0.00 -1.95 -3.01 103.07 100.49 1gkj h GLY 376 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gkj h GLY 376 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 1gkj n VAL 377 N -4.26 0.21 -5.03 4.60 0.31 -1.15 -5.02 118.33 108.00 1gkj n VAL 377 Ca -0.01 -0.33 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 1gkj n VAL 377 Cb 0.17 1.18 -0.15 0.00 -0.91 0.00 0.00 33.84 34.14 1gkj n VAL 377 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1gkj s ASN 378 N -0.21 3.31 -0.07 4.52 0.01 -1.01 -4.97 114.94 116.50 1gkj s ASN 378 Ca 0.00 -0.48 0.21 0.00 -0.71 0.00 0.00 52.86 51.88 1gkj s ASN 378 Cb 0.00 -0.41 -0.32 0.00 0.41 0.00 0.00 41.25 40.93 1gkj s ASN 378 CO 0.00 0.29 0.39 -1.20 -1.51 0.00 0.00 177.10 175.07 1gkj n SER 379 N 2.06 0.01 0.00 -1.22 7.64 -1.26 -4.40 113.62 116.44 1gkj n SER 379 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1gkj n SER 379 Cb 0.52 1.77 0.00 0.00 -1.01 0.00 0.00 64.21 65.49 1gkj n SER 379 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkj n GLY 380 N 1.38 3.58 0.46 0.23 0.00 -1.26 -2.27 105.19 107.30 1gkj n GLY 380 Ca -0.11 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1gkj n GLY 380 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gkj n PHE 381 N 14.00 0.20 -0.26 1.61 3.01 -0.40 -4.49 117.46 131.12 1gkj n PHE 381 Ca 0.00 -0.10 0.04 0.00 1.01 0.00 0.00 57.45 58.40 1gkj n PHE 381 Cb 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.59 1gkj n PHE 381 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 1gkj h MET 382 N 1.78 0.04 0.00 -1.08 4.05 -1.68 -1.61 114.93 116.43 1gkj h MET 382 Ca 0.00 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1gkj h MET 382 Cb 0.39 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1gkj h MET 382 CO 0.00 0.02 -1.02 0.82 0.23 0.00 0.00 176.91 176.97 1gkj h ILE 383 N 0.04 0.11 -0.83 1.77 1.08 -1.84 -2.86 117.51 114.97 1gkj h ILE 383 Ca 0.39 -1.22 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1gkj h ILE 383 Cb 0.65 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 1gkj h ILE 383 CO -0.74 0.06 0.55 0.00 -0.69 0.00 0.00 178.15 177.33 1gkj h ALA 384 N 1.88 1.40 -0.45 1.87 0.00 -1.62 -1.05 119.26 121.29 1gkj h ALA 384 Ca -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1gkj h ALA 384 Cb 1.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1gkj h ALA 384 CO 0.01 0.56 0.01 0.37 0.00 0.00 0.00 179.25 180.19 1gkj h GLN 385 N 1.13 0.73 -0.38 0.00 -0.00 -1.18 -1.46 115.11 113.96 1gkj h GLN 385 Ca 0.31 -0.18 0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1gkj h GLN 385 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.24 1gkj h GLN 385 CO -0.07 0.74 0.24 0.28 0.00 0.00 0.00 178.83 180.02 1gkj h VAL 386 N 0.69 1.07 -0.80 2.39 2.07 -1.18 0.22 116.25 120.70 1gkj h VAL 386 Ca 0.14 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1gkj h VAL 386 Cb 0.41 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1gkj h VAL 386 CO 0.02 0.09 0.51 0.74 0.02 0.00 0.00 177.57 178.94 1gkj h THR 387 N 0.48 1.11 -0.37 2.57 2.02 -0.79 -0.16 112.91 117.78 1gkj h THR 387 Ca 0.15 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1gkj h THR 387 Cb -0.03 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 1gkj h THR 387 CO -0.05 0.18 -0.07 0.00 0.37 0.00 0.00 175.52 175.95 1gkj h ALA 388 N 1.34 1.20 -0.91 6.16 0.00 -0.85 -1.52 119.26 124.68 1gkj h ALA 388 Ca 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gkj h ALA 388 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1gkj h ALA 388 CO -0.12 0.52 0.51 0.00 0.00 0.00 0.00 179.25 180.16 1gkj h ALA 389 N 1.36 1.17 -0.46 0.00 0.00 -0.22 0.59 119.26 121.69 1gkj h ALA 389 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gkj h ALA 389 Cb 0.47 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1gkj h ALA 389 CO 0.02 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.19 1gkj h ALA 390 N 1.28 0.59 -0.25 0.00 0.00 -0.55 -1.33 119.26 119.01 1gkj h ALA 390 Ca 0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1gkj h ALA 390 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gkj h ALA 390 CO -0.05 0.11 -0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1gkj h LEU 391 N 0.60 0.51 -0.39 0.00 3.38 -1.11 -2.23 115.31 116.07 1gkj h LEU 391 Ca 0.16 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1gkj h LEU 391 Cb 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1gkj h LEU 391 CO -0.03 0.78 0.09 0.00 0.09 0.00 0.00 178.44 179.37 1gkj h ALA 392 N 0.75 0.43 -0.84 1.53 0.00 -0.86 -2.95 119.26 117.32 1gkj h ALA 392 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1gkj h ALA 392 Cb 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1gkj h ALA 392 CO 0.03 -0.31 0.48 1.03 0.00 0.00 0.00 179.25 180.49 1gkj h SER 393 N 0.23 1.02 -0.06 0.00 0.87 -1.13 -2.21 113.55 112.27 1gkj h SER 393 Ca 0.19 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1gkj h SER 393 Cb 0.21 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1gkj h SER 393 CO -0.23 0.80 0.03 -0.08 -0.53 0.00 0.00 176.83 176.82 1gkj h GLU 394 N 1.16 0.11 0.00 2.24 4.81 -1.23 -0.48 114.58 121.19 1gkj h GLU 394 Ca 0.30 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1gkj h GLU 394 Cb -0.01 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1gkj h GLU 394 CO -0.05 0.10 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.41 1gkj h ASN 395 N 0.11 0.00 -0.06 1.04 2.35 -1.34 -2.77 115.58 114.91 1gkj h ASN 395 Ca 0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1gkj h ASN 395 Cb 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1gkj h ASN 395 CO -0.00 0.01 -0.07 0.11 -1.65 0.00 0.00 177.43 175.82 1gkj h LYS 396 N 0.00 0.16 -0.55 0.81 1.57 -1.17 -1.17 116.57 116.23 1gkj h LYS 396 Ca -0.00 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1gkj h LYS 396 Cb 0.27 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1gkj h LYS 396 CO 0.00 0.62 0.18 0.00 -0.57 0.00 0.00 179.45 179.68 1gkj h ALA 397 N 0.54 1.28 0.00 3.86 0.00 -1.66 -2.05 119.26 121.23 1gkj h ALA 397 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gkj h ALA 397 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gkj h ALA 397 CO 0.02 0.52 -0.04 -0.07 0.00 0.00 0.00 179.25 179.68 1gkj h LEU 398 N 0.80 0.00 -0.72 0.00 3.38 -1.28 -1.23 115.31 116.25 1gkj h LEU 398 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gkj h LEU 398 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1gkj h LEU 398 CO -0.01 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.84 1gkj h SER 399 N 0.00 0.00 -2.12 -0.43 0.02 -0.45 -3.46 113.55 107.11 1gkj h SER 399 Ca -0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 1gkj h SER 399 Cb 0.36 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.95 1gkj h SER 399 CO 0.01 0.00 0.74 1.57 -1.14 0.00 0.00 176.83 178.01 1gkj n HIS 400 N -2.31 2.11 -2.43 3.45 -0.00 -0.47 -4.87 115.22 110.71 1gkj n HIS 400 Ca 0.02 0.33 -0.39 0.00 -0.00 0.00 0.00 57.72 57.69 1gkj n HIS 400 Cb 0.25 -2.50 -0.04 0.00 -0.00 0.00 0.00 29.99 27.70 1gkj n HIS 400 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1gkj s PRO 401 N 1.06 4.37 0.06 1.57 0.04 -1.26 -4.93 135.00 135.91 1gkj s PRO 401 Ca 0.81 1.77 0.22 0.00 0.04 0.00 0.00 61.00 63.84 1gkj s PRO 401 Cb -0.74 -2.90 -0.17 0.00 0.04 0.00 0.00 34.50 30.72 1gkj s PRO 401 CO 0.41 -0.02 0.76 0.72 0.04 0.00 0.00 177.00 178.91 1gkj n HIS 402 N 0.60 0.38 0.37 0.56 8.25 -1.26 -4.28 115.22 119.83 1gkj n HIS 402 Ca 0.02 0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.67 1gkj n HIS 402 Cb 0.46 -0.64 0.37 0.00 1.12 0.00 0.00 29.99 31.30 1gkj n HIS 402 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1gkj n SER 403 N -2.35 0.31 -0.41 0.41 3.41 -1.26 -2.04 113.62 111.69 1gkj n SER 403 Ca -0.02 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 1gkj n SER 403 Cb 0.54 -0.65 0.55 0.00 -0.26 0.00 0.00 64.21 64.39 1gkj n SER 403 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gkj n VAL 404 N -1.86 0.00 -4.20 -3.33 0.24 -1.26 -4.90 118.33 103.02 1gkj n VAL 404 Ca 0.02 -0.21 -0.25 0.00 -2.04 0.00 0.00 64.34 61.85 1gkj n VAL 404 Cb 0.16 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 1gkj n VAL 404 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1gkj s ASP 405 N -2.05 4.90 -0.13 -1.34 2.15 -0.87 -5.12 116.67 114.21 1gkj s ASP 405 Ca 0.38 -0.40 -0.29 0.00 0.43 0.00 0.00 52.55 52.67 1gkj s ASP 405 Cb 0.21 -1.08 0.08 0.00 -0.30 0.00 0.00 42.92 41.84 1gkj s ASP 405 CO 0.35 0.06 0.77 -0.55 -0.17 0.00 0.00 175.17 175.63 1gkj s SER 406 N -3.20 -0.61 -0.02 -0.34 0.15 -1.26 -4.56 113.70 103.85 1gkj s SER 406 Ca 0.29 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.83 1gkj s SER 406 Cb -0.09 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1gkj s SER 406 CO 0.20 -0.45 -0.17 -0.76 1.20 0.00 0.00 173.24 173.26 1gkj s LEU 407 N -0.73 2.00 0.34 3.45 1.43 -1.26 -4.99 118.68 118.93 1gkj s LEU 407 Ca -0.06 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1gkj s LEU 407 Cb -0.02 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.22 1gkj s LEU 407 CO 0.05 0.19 1.36 -2.84 0.23 0.00 0.00 176.35 175.35 1gkj s PRO 408 N -0.30 4.28 0.35 1.29 0.02 -1.26 -4.66 135.00 134.73 1gkj s PRO 408 Ca 0.04 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.43 1gkj s PRO 408 Cb -0.07 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 1gkj s PRO 408 CO -0.00 -0.30 0.07 0.95 -0.33 0.00 0.00 177.00 177.39 1gkj s THR 409 N -1.12 1.12 -1.35 0.99 -4.23 -0.59 -4.83 115.64 105.64 1gkj s THR 409 Ca 0.50 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1gkj s THR 409 Cb -0.42 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 1gkj s THR 409 CO 0.56 0.00 0.54 -0.24 -0.54 0.00 0.00 174.62 174.94 1gkj n SER 410 N -0.84 -0.97 -4.06 3.99 2.88 -1.26 -1.53 113.62 111.83 1gkj n SER 410 Ca -0.04 -0.94 -0.34 0.00 -1.33 0.00 0.00 58.87 56.22 1gkj n SER 410 Cb 0.66 -3.44 -0.02 0.00 -0.75 0.00 0.00 64.21 60.66 1gkj n SER 410 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gkj n ALA 411 N -4.33 -2.27 -0.93 -1.46 0.00 -1.26 -1.43 120.51 108.82 1gkj n ALA 411 Ca -0.29 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1gkj n ALA 411 Cb 0.68 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1gkj n ALA 411 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkj n ASN 412 N -2.67 -3.12 0.06 0.00 3.02 -0.91 -4.84 115.26 106.80 1gkj n ASN 412 Ca -0.23 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.21 1gkj n ASN 412 Cb 0.64 -1.70 -0.13 0.00 -0.61 0.00 0.00 39.78 37.98 1gkj n ASN 412 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1gkj h GLN 413 N 0.84 0.13 -2.72 3.52 1.08 -1.15 -3.36 115.11 113.44 1gkj h GLN 413 Ca 0.00 -0.22 -0.72 0.00 -1.45 0.00 0.00 58.65 56.26 1gkj h GLN 413 Cb 0.33 0.08 -0.34 0.00 -0.05 0.00 0.00 27.48 27.50 1gkj h GLN 413 CO 0.00 1.03 0.14 0.39 -0.95 0.00 0.00 178.83 179.44 1gkj n GLU 414 N -3.39 3.47 0.00 1.46 1.02 -0.59 -4.86 120.64 117.76 1gkj n GLU 414 Ca -0.08 -4.59 0.13 0.00 -0.02 0.00 0.00 57.16 52.60 1gkj n GLU 414 Cb 1.00 -2.40 0.23 0.00 -0.02 0.00 0.00 31.44 30.25 1gkj n GLU 414 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1gkj n ASP 415 N 1.32 2.29 -3.73 1.62 5.75 -1.26 -1.54 116.55 121.01 1gkj n ASP 415 Ca 0.27 -1.71 -0.16 0.00 -0.01 0.00 0.00 54.79 53.18 1gkj n ASP 415 Cb 0.37 0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.37 1gkj n ASP 415 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1gkj s HIS 416 N -2.10 -0.07 0.35 2.11 5.04 -1.26 -4.34 115.29 115.00 1gkj s HIS 416 Ca 0.29 0.37 0.04 0.00 -1.54 0.00 0.00 55.06 54.22 1gkj s HIS 416 Cb 0.20 -0.23 -0.04 0.00 0.04 0.00 0.00 32.58 32.56 1gkj s HIS 416 CO 0.36 -0.17 0.14 0.14 -2.34 0.00 0.00 174.74 172.88 1gkj s VAL 417 N 1.52 0.52 -0.17 0.89 -7.23 -1.26 -5.00 120.40 109.68 1gkj s VAL 417 Ca -0.05 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.27 1gkj s VAL 417 Cb -0.12 -2.49 -0.20 0.00 0.56 0.00 0.00 36.38 34.13 1gkj s VAL 417 CO -0.05 0.00 0.05 -1.54 -0.31 0.00 0.00 175.10 173.26 1gkj n SER 418 N -1.06 0.91 -1.71 4.85 3.41 -1.00 -4.67 113.62 114.35 1gkj n SER 418 Ca -0.02 -0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.42 1gkj n SER 418 Cb 0.65 0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 65.45 1gkj n SER 418 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1gkj n MET 419 N -2.63 -1.31 -0.30 4.33 2.81 -0.03 -4.40 117.12 115.59 1gkj n MET 419 Ca -0.27 0.96 0.00 0.00 -1.81 0.00 0.00 57.70 56.58 1gkj n MET 419 Cb 1.04 -5.32 0.13 0.00 -0.71 0.00 0.00 33.22 28.36 1gkj n MET 419 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gkj h ALA 420 N 0.48 1.14 -0.37 3.04 0.00 -1.85 -2.38 119.26 119.32 1gkj h ALA 420 Ca -0.39 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1gkj h ALA 420 Cb 1.23 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1gkj h ALA 420 CO 0.50 0.24 0.06 -1.35 0.00 0.00 0.00 179.25 178.70 1gkj h PRO 421 N 0.92 0.17 -0.49 0.00 0.11 -1.87 -0.57 132.00 130.27 1gkj h PRO 421 Ca 0.36 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 1gkj h PRO 421 Cb 0.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1gkj h PRO 421 CO -0.18 0.11 0.06 0.00 -0.21 0.00 0.00 178.00 177.79 1gkj h ALA 422 N 1.28 1.20 -0.68 -0.75 0.00 -1.79 -0.58 119.26 117.94 1gkj h ALA 422 Ca 0.18 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1gkj h ALA 422 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1gkj h ALA 422 CO -0.24 0.54 0.43 0.00 0.00 0.00 0.00 179.25 179.97 1gkj h ALA 423 N 1.34 0.89 -0.07 0.00 0.00 -0.84 -2.66 119.26 117.92 1gkj h ALA 423 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1gkj h ALA 423 Cb 0.35 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gkj h ALA 423 CO 0.01 0.20 -0.60 0.78 0.00 0.00 0.00 179.25 179.64 1gkj h GLY 424 N 0.84 0.58 2.00 0.00 0.00 -0.63 -3.31 103.07 102.56 1gkj h GLY 424 Ca 0.27 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 1gkj h GLY 424 CO -0.10 0.79 -0.40 0.07 0.00 0.00 0.00 176.54 176.90 1gkj h LYS 425 N 0.11 0.00 0.00 4.80 2.10 -1.09 -1.31 116.57 121.18 1gkj h LYS 425 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1gkj h LYS 425 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1gkj h LYS 425 CO 0.12 0.40 0.00 0.07 -2.00 0.00 0.00 179.45 178.04 1gkj h ARG 426 N 0.00 0.00 0.00 0.07 -0.00 -1.56 -1.85 114.38 111.05 1gkj h ARG 426 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.92 1gkj h ARG 426 Cb 0.78 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.74 1gkj h ARG 426 CO 0.05 0.00 -0.26 -0.07 -0.00 0.00 0.00 179.97 179.69 1gkj h LEU 427 N 0.00 0.00 -0.46 0.08 3.38 -1.37 -2.17 115.31 114.77 1gkj h LEU 427 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1gkj h LEU 427 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1gkj h LEU 427 CO 0.00 0.26 -0.03 -0.50 0.09 0.00 0.00 178.44 178.26 1gkj h TRP 428 N 0.00 0.92 -0.08 1.13 6.55 -1.45 0.10 115.95 123.11 1gkj h TRP 428 Ca -0.00 -0.17 -0.17 0.00 0.95 0.00 0.00 58.89 59.50 1gkj h TRP 428 Cb 0.52 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 1gkj h TRP 428 CO 0.00 0.89 -0.67 1.49 -1.05 0.00 0.00 178.44 179.10 1gkj h GLU 429 N 0.68 0.36 -0.97 0.49 4.81 -1.66 -1.69 114.58 116.59 1gkj h GLU 429 Ca 0.13 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1gkj h GLU 429 Cb 0.54 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1gkj h GLU 429 CO 0.03 0.90 0.64 0.52 -0.73 0.00 0.00 179.01 180.37 1gkj h MET 430 N 0.25 1.18 -0.32 1.92 2.86 -1.05 -0.71 114.93 119.07 1gkj h MET 430 Ca -0.02 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1gkj h MET 430 Cb 1.22 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1gkj h MET 430 CO 0.11 0.78 -0.29 0.00 1.06 0.00 0.00 176.91 178.58 1gkj h ALA 431 N 1.44 0.91 -0.87 6.32 0.00 -0.43 -0.14 119.26 126.48 1gkj h ALA 431 Ca 0.39 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gkj h ALA 431 Cb 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1gkj h ALA 431 CO -0.12 0.62 0.57 0.93 0.00 0.00 0.00 179.25 181.25 1gkj h GLU 432 N 0.56 1.10 0.26 0.00 5.08 -0.76 0.17 114.58 121.00 1gkj h GLU 432 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1gkj h GLU 432 Cb 0.78 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1gkj h GLU 432 CO 0.06 0.72 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.76 1gkj h ASN 433 N 1.13 -0.30 -0.19 1.42 2.35 -0.68 -0.75 115.58 118.56 1gkj h ASN 433 Ca 0.33 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1gkj h ASN 433 Cb -0.05 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1gkj h ASN 433 CO -0.10 -0.12 -0.02 0.74 -1.65 0.00 0.00 177.43 176.28 1gkj h THR 434 N -0.47 1.19 -0.81 2.81 2.02 -0.90 -2.01 112.91 114.75 1gkj h THR 434 Ca -0.04 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 1gkj h THR 434 Cb 0.35 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1gkj h THR 434 CO 0.06 0.26 0.37 -0.09 0.37 0.00 0.00 175.52 176.49 1gkj h ARG 435 N 0.46 1.18 -0.66 6.66 2.43 -0.37 -0.59 114.38 123.49 1gkj h ARG 435 Ca 0.10 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1gkj h ARG 435 Cb 0.34 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1gkj h ARG 435 CO 0.01 0.92 0.35 0.78 -1.51 0.00 0.00 179.97 180.53 1gkj h GLY 436 N 1.15 0.98 0.94 2.80 0.00 -0.61 -0.18 103.07 108.15 1gkj h GLY 436 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1gkj h GLY 436 CO -0.03 0.43 -0.18 -2.08 0.00 0.00 0.00 176.54 174.68 1gkj h VAL 437 N 0.90 0.61 -0.59 4.60 2.07 -0.91 -1.79 116.25 121.15 1gkj h VAL 437 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1gkj h VAL 437 Cb 0.05 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1gkj h VAL 437 CO -0.04 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.84 1gkj h LEU 438 N -0.48 0.69 -0.56 2.57 3.38 -1.03 -0.66 115.31 119.23 1gkj h LEU 438 Ca -0.04 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1gkj h LEU 438 Cb 0.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1gkj h LEU 438 CO 0.04 0.53 0.32 0.00 0.09 0.00 0.00 178.44 179.43 1gkj h ALA 439 N 1.59 0.72 -0.42 1.53 0.00 -0.63 0.19 119.26 122.24 1gkj h ALA 439 Ca 0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1gkj h ALA 439 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1gkj h ALA 439 CO -0.04 0.03 -0.18 0.82 0.00 0.00 0.00 179.25 179.88 1gkj h ILE 440 N 0.63 1.27 -0.55 0.00 2.04 -0.64 -1.07 117.51 119.19 1gkj h ILE 440 Ca 0.23 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1gkj h ILE 440 Cb 0.06 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1gkj h ILE 440 CO -0.12 0.43 0.22 -0.08 0.00 0.00 0.00 178.15 178.61 1gkj h GLU 441 N 0.71 0.82 -0.14 2.37 4.81 -0.38 -0.32 114.58 122.46 1gkj h GLU 441 Ca 0.11 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1gkj h GLU 441 Cb 0.69 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1gkj h GLU 441 CO 0.05 0.71 -0.11 2.35 -0.73 0.00 0.00 179.01 181.28 1gkj h TRP 442 N 0.75 -0.28 -0.67 0.92 7.01 -0.44 0.35 115.95 123.60 1gkj h TRP 442 Ca 0.18 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.21 1gkj h TRP 442 Cb 0.20 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1gkj h TRP 442 CO 0.01 -0.17 0.43 -0.07 -2.79 0.00 0.00 178.44 175.85 1gkj h LEU 443 N -0.13 0.78 -0.30 0.65 3.38 -0.97 -2.30 115.31 116.42 1gkj h LEU 443 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1gkj h LEU 443 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1gkj h LEU 443 CO -0.21 0.58 -0.21 1.23 0.09 0.00 0.00 178.44 179.92 1gkj h GLY 444 N 0.91 0.72 1.74 0.83 0.00 -0.62 -1.47 103.07 105.18 1gkj h GLY 444 Ca 0.24 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1gkj h GLY 444 CO -0.05 0.63 -0.20 0.00 0.00 0.00 0.00 176.54 176.92 1gkj h ALA 445 N 0.73 1.33 -0.32 3.60 0.00 -0.84 0.26 119.26 124.02 1gkj h ALA 445 Ca 0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1gkj h ALA 445 Cb 0.75 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gkj h ALA 445 CO 0.06 0.46 -0.49 0.00 0.00 0.00 0.00 179.25 179.27 1gkj h GLN 447 N 0.69 0.68 -0.77 0.00 5.75 -0.66 -0.79 115.11 120.01 1gkj h GLN 447 Ca 0.03 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1gkj h GLN 447 Cb 1.09 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1gkj h GLN 447 CO 0.11 0.45 0.31 0.78 -2.65 0.00 0.00 178.83 177.83 1gkj h GLY 448 N 0.70 1.23 1.51 2.39 0.00 -0.16 -2.31 103.07 106.43 1gkj h GLY 448 Ca 0.19 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1gkj h GLY 448 CO -0.04 0.63 -0.18 1.41 0.00 0.00 0.00 176.54 178.35 1gkj h LEU 449 N 1.11 0.58 -1.19 3.11 3.38 -0.72 -2.02 115.31 119.55 1gkj h LEU 449 Ca 0.26 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1gkj h LEU 449 Cb 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1gkj h LEU 449 CO -0.02 0.77 0.56 0.44 0.09 0.00 0.00 178.44 180.28 1gkj h ASP 450 N 0.52 0.89 0.67 -0.43 3.32 -0.65 0.72 116.42 121.45 1gkj h ASP 450 Ca 0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1gkj h ASP 450 Cb 0.61 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1gkj h ASP 450 CO 0.04 0.59 0.00 0.18 -1.72 0.00 0.00 179.24 178.33 1gkj n LEU 451 N -4.47 0.46 -4.43 1.55 4.77 -0.77 -3.63 117.00 110.48 1gkj n LEU 451 Ca 0.12 0.61 -0.44 0.00 -0.03 0.00 0.00 56.01 56.27 1gkj n LEU 451 Cb 0.15 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 1gkj n LEU 451 CO 0.34 -0.45 1.13 -0.13 -1.33 0.00 0.00 177.39 176.94 1gkj s ARG 452 N -3.21 3.94 -0.11 3.23 0.52 0.24 -4.95 118.95 118.61 1gkj s ARG 452 Ca 0.05 -2.44 -0.35 0.00 -0.52 0.00 0.00 55.73 52.48 1gkj s ARG 452 Cb 0.09 -4.91 -0.12 0.00 0.52 0.00 0.00 34.95 30.54 1gkj s ARG 452 CO 0.36 -1.66 1.87 1.17 0.02 0.00 0.00 175.30 177.06 1gkj n LYS 453 N 5.37 2.09 -0.98 3.54 4.81 -1.24 -1.09 118.16 130.67 1gkj n LYS 453 Ca 0.30 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 1gkj n LYS 453 Cb 0.44 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1gkj n LYS 453 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gkj n GLY 454 N 4.40 0.98 3.86 3.14 0.00 -1.26 -5.01 105.19 111.30 1gkj n GLY 454 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1gkj n GLY 454 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkj s LEU 455 N 0.00 4.42 0.13 0.99 1.43 -0.25 -5.08 118.68 120.32 1gkj s LEU 455 Ca 0.00 0.78 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1gkj s LEU 455 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1gkj s LEU 455 CO 0.00 0.30 0.03 -0.54 0.23 0.00 0.00 176.35 176.37 1gkj s LYS 456 N -1.33 2.58 0.00 1.70 1.02 -1.26 -4.89 119.74 117.56 1gkj s LYS 456 Ca 0.24 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.32 1gkj s LYS 456 Cb -0.15 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1gkj s LYS 456 CO 0.13 0.51 0.00 -2.37 -0.92 0.00 0.00 175.35 172.69 1gkj n THR 457 N 0.19 0.00 -1.68 2.17 5.66 -1.26 -1.56 114.28 117.79 1gkj n THR 457 Ca -0.10 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.61 1gkj n THR 457 Cb 0.53 -0.69 0.16 0.00 -1.55 0.00 0.00 70.33 68.79 1gkj n THR 457 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gkj s SER 458 N -1.00 3.14 0.04 1.09 1.04 -1.26 -4.63 113.70 112.11 1gkj s SER 458 Ca 0.00 0.61 -0.24 0.00 0.48 0.00 0.00 55.95 56.80 1gkj s SER 458 Cb 0.00 -0.92 -0.17 0.00 0.10 0.00 0.00 66.02 65.03 1gkj s SER 458 CO 0.00 -2.75 1.53 0.00 0.98 0.00 0.00 173.24 173.00 1gkj h ALA 459 N -1.64 -0.00 0.00 5.32 0.00 -1.90 0.01 119.26 121.04 1gkj h ALA 459 Ca -0.46 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1gkj h ALA 459 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1gkj h ALA 459 CO 0.49 -0.39 -0.46 0.87 0.00 0.00 0.00 179.25 179.76 1gkj h LYS 460 N -0.22 0.00 0.00 0.00 1.57 -1.92 -2.61 116.57 113.40 1gkj h LYS 460 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1gkj h LYS 460 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1gkj h LYS 460 CO 0.00 0.46 -0.59 -0.07 -0.57 0.00 0.00 179.45 178.68 1gkj h LEU 461 N 0.00 0.00 -0.91 2.94 3.38 -1.69 -2.14 115.31 116.88 1gkj h LEU 461 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1gkj h LEU 461 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1gkj h LEU 461 CO 0.06 0.59 -0.31 -0.33 0.09 0.00 0.00 178.44 178.54 1gkj h GLU 462 N 0.00 0.43 -0.93 1.13 4.39 -0.85 -0.71 114.58 118.04 1gkj h GLU 462 Ca -0.01 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1gkj h GLU 462 Cb 1.26 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 1gkj h GLU 462 CO 0.08 0.70 0.61 0.87 -1.16 0.00 0.00 179.01 180.10 1gkj h LYS 463 N 0.38 1.13 -0.38 2.33 1.57 -1.06 0.16 116.57 120.69 1gkj h LYS 463 Ca 0.05 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1gkj h LYS 463 Cb 0.73 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1gkj h LYS 463 CO 0.06 0.75 -0.39 0.00 -0.57 0.00 0.00 179.45 179.29 1gkj h ALA 464 N 1.46 0.58 -0.72 3.86 0.00 -0.70 -0.92 119.26 122.81 1gkj h ALA 464 Ca 0.37 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1gkj h ALA 464 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1gkj h ALA 464 CO -0.12 0.68 0.38 0.00 0.00 0.00 0.00 179.25 180.20 1gkj h ARG 465 N 0.76 1.00 -0.34 0.00 3.08 -0.54 -2.80 114.38 115.54 1gkj h ARG 465 Ca 0.06 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1gkj h ARG 465 Cb 0.99 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1gkj h ARG 465 CO 0.10 0.76 -0.18 1.96 -1.07 0.00 0.00 179.97 181.54 1gkj h GLN 466 N 0.99 0.63 -0.35 0.04 1.08 -0.55 -0.78 115.11 116.16 1gkj h GLN 466 Ca 0.25 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1gkj h GLN 466 Cb 0.05 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1gkj h GLN 466 CO -0.04 0.77 0.20 0.00 -0.95 0.00 0.00 178.83 178.82 1gkj h ALA 467 N 1.25 0.44 -0.02 3.87 0.00 -0.97 -1.46 119.26 122.37 1gkj h ALA 467 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gkj h ALA 467 Cb 0.62 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1gkj h ALA 467 CO 0.04 -0.15 -0.00 1.25 0.00 0.00 0.00 179.25 180.39 1gkj h LEU 468 N 0.42 0.04 -0.35 0.00 6.46 -1.30 -3.10 115.31 117.48 1gkj h LEU 468 Ca 0.14 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1gkj h LEU 468 Cb 0.01 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1gkj h LEU 468 CO -0.07 0.36 0.00 0.54 -0.62 0.00 0.00 178.44 178.65 1gkj n ARG 469 N -4.90 0.07 0.24 1.25 5.12 -0.32 -0.82 116.66 117.30 1gkj n ARG 469 Ca -0.08 0.38 0.10 0.00 -1.93 0.00 0.00 57.85 56.32 1gkj n ARG 469 Cb 0.18 -1.66 0.58 0.00 -1.16 0.00 0.00 32.46 30.40 1gkj n ARG 469 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1gkj h SER 470 N 0.00 0.00 0.00 0.55 4.64 -1.19 -3.34 113.55 114.22 1gkj h SER 470 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1gkj h SER 470 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1gkj h SER 470 CO 0.00 0.20 -1.44 -0.62 -0.87 0.00 0.00 176.83 174.10 1gkj n GLU 471 N -3.64 2.35 -4.48 4.77 -0.58 -0.00 -5.03 120.64 114.02 1gkj n GLU 471 Ca -0.01 0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1gkj n GLU 471 Cb 0.33 -1.16 -0.17 0.00 -0.57 0.00 0.00 31.44 29.87 1gkj n GLU 471 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1gkj s VAL 472 N -2.16 1.31 0.60 2.62 1.01 -0.05 -5.08 120.40 118.66 1gkj s VAL 472 Ca -0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1gkj s VAL 472 Cb 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1gkj s VAL 472 CO 0.24 0.40 1.00 0.00 0.00 0.00 0.00 175.10 176.75 1gkj s ALA 473 N 0.91 3.12 0.41 5.51 0.00 -1.26 -4.09 121.76 126.36 1gkj s ALA 473 Ca -0.09 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 1gkj s ALA 473 Cb -0.15 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 1gkj s ALA 473 CO 0.00 -0.63 0.43 1.58 0.00 0.00 0.00 175.76 177.15 1gkj n HIS 474 N -2.62 -0.90 -3.07 0.00 -0.00 -1.26 -4.90 115.22 102.47 1gkj n HIS 474 Ca 0.06 0.61 -0.45 0.00 0.46 0.00 0.00 57.72 58.40 1gkj n HIS 474 Cb 0.54 -1.94 -0.04 0.00 -0.12 0.00 0.00 29.99 28.44 1gkj n HIS 474 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 1gkj s TYR 475 N -1.52 3.03 -0.02 1.57 6.14 -1.26 -4.86 117.35 120.43 1gkj s TYR 475 Ca 0.62 -1.04 0.05 0.00 0.64 0.00 0.00 57.07 57.34 1gkj s TYR 475 Cb -0.62 -4.07 -0.25 0.00 0.42 0.00 0.00 41.96 37.45 1gkj s TYR 475 CO 0.59 -1.35 0.76 0.38 0.64 0.00 0.00 175.55 176.58 1gkj h ASP 476 N 9.09 0.17 -4.94 4.32 3.04 -1.96 -3.45 116.42 122.69 1gkj h ASP 476 Ca -0.21 -0.30 0.03 0.00 -3.24 0.00 0.00 57.03 53.32 1gkj h ASP 476 Cb 1.07 -0.06 -0.12 0.00 -1.04 0.00 0.00 39.33 39.19 1gkj h ASP 476 CO 1.09 1.26 0.29 0.00 -2.04 0.00 0.00 179.24 179.83 1gkj s ARG 477 N -2.61 1.24 0.24 4.15 3.03 -1.26 -4.69 118.95 119.05 1gkj s ARG 477 Ca -0.08 -0.50 -0.31 0.00 2.03 0.00 0.00 55.73 56.87 1gkj s ARG 477 Cb 0.08 0.54 -0.13 0.00 -1.03 0.00 0.00 34.95 34.40 1gkj s ARG 477 CO 0.82 -0.55 1.44 -0.25 -1.13 0.00 0.00 175.30 175.63 1gkj n ASP 478 N -0.36 2.90 -3.94 -2.89 8.00 -1.26 -4.98 116.55 114.01 1gkj n ASP 478 Ca -0.13 1.14 -0.11 0.00 0.71 0.00 0.00 54.79 56.40 1gkj n ASP 478 Cb 0.63 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.22 1gkj n ASP 478 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkj s ARG 479 N -0.36 1.50 -0.04 -1.24 1.70 -1.26 -5.10 118.95 114.15 1gkj s ARG 479 Ca 0.68 -1.43 -0.32 0.00 -0.47 0.00 0.00 55.73 54.19 1gkj s ARG 479 Cb -0.63 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.06 1gkj s ARG 479 CO 0.49 -0.59 1.97 0.34 -1.08 0.00 0.00 175.30 176.43 1gkj n PHE 480 N -0.38 2.37 0.01 5.89 7.35 -1.26 -4.86 117.46 126.58 1gkj n PHE 480 Ca -0.00 -0.20 -0.21 0.00 -0.76 0.00 0.00 57.45 56.28 1gkj n PHE 480 Cb 0.63 -2.74 -0.14 0.00 0.35 0.00 0.00 39.48 37.58 1gkj n PHE 480 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1gkj h PHE 481 N 10.57 0.41 -0.93 -5.13 3.04 -1.99 -3.40 116.94 119.51 1gkj h PHE 481 Ca -0.48 -0.30 0.18 0.00 3.98 0.00 0.00 57.97 61.35 1gkj h PHE 481 Cb 1.25 -0.02 -0.10 0.00 2.56 0.00 0.00 35.95 39.64 1gkj h PHE 481 CO 0.93 1.45 0.52 0.00 -2.02 0.00 0.00 178.31 179.19 1gkj h ALA 482 N -0.04 1.50 -0.63 2.41 0.00 -2.01 -1.36 119.26 119.14 1gkj h ALA 482 Ca -0.25 0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1gkj h ALA 482 Cb 1.66 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1gkj h ALA 482 CO 0.06 -0.10 0.42 -1.35 0.00 0.00 0.00 179.25 178.28 1gkj h PRO 483 N 0.67 0.44 -0.57 0.00 0.11 -2.00 -0.51 132.00 130.15 1gkj h PRO 483 Ca 0.53 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 1gkj h PRO 483 Cb 0.83 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1gkj h PRO 483 CO -0.39 0.29 0.30 -0.44 -0.21 0.00 0.00 178.00 177.55 1gkj h ASP 484 N 0.46 0.73 -0.45 -2.05 3.32 -1.50 -0.54 116.42 116.38 1gkj h ASP 484 Ca 0.29 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 1gkj h ASP 484 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1gkj h ASP 484 CO -0.09 0.63 -0.25 0.40 -1.72 0.00 0.00 179.24 178.22 1gkj h ILE 485 N 0.77 1.27 -0.46 0.35 2.04 -1.16 -1.74 117.51 118.58 1gkj h ILE 485 Ca 0.20 -1.42 0.06 0.00 1.00 0.00 0.00 64.86 64.70 1gkj h ILE 485 Cb 0.08 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1gkj h ILE 485 CO -0.03 0.49 0.18 -0.33 0.00 0.00 0.00 178.15 178.45 1gkj h GLU 486 N 0.83 0.35 -0.37 2.37 5.08 -1.02 -0.02 114.58 121.79 1gkj h GLU 486 Ca 0.10 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1gkj h GLU 486 Cb 0.83 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1gkj h GLU 486 CO 0.07 0.23 0.04 0.87 -1.00 0.00 0.00 179.01 179.23 1gkj h LYS 487 N 0.36 0.63 -0.39 2.33 1.57 -0.87 -1.88 116.57 118.32 1gkj h LYS 487 Ca 0.21 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1gkj h LYS 487 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1gkj h LYS 487 CO -0.21 0.71 0.25 0.00 -0.57 0.00 0.00 179.45 179.63 1gkj h ALA 488 N 0.90 0.50 -0.96 3.86 0.00 -1.12 -1.51 119.26 120.93 1gkj h ALA 488 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1gkj h ALA 488 Cb 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1gkj h ALA 488 CO 0.01 -0.04 0.61 0.28 0.00 0.00 0.00 179.25 180.12 1gkj h VAL 489 N 0.52 1.07 -0.32 0.00 2.07 -0.86 -1.29 116.25 117.44 1gkj h VAL 489 Ca 0.14 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1gkj h VAL 489 Cb -0.04 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 1gkj h VAL 489 CO -0.03 0.20 -0.33 -0.08 0.02 0.00 0.00 177.57 177.35 1gkj h GLU 490 N 1.11 0.79 -0.48 1.57 4.57 -0.96 0.55 114.58 121.74 1gkj h GLU 490 Ca 0.41 -0.42 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1gkj h GLU 490 Cb 0.17 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 1gkj h GLU 490 CO -0.17 1.05 0.12 -0.07 -1.18 0.00 0.00 179.01 178.76 1gkj h LEU 491 N 0.56 0.06 -0.54 1.64 3.38 -1.02 -1.15 115.31 118.24 1gkj h LEU 491 Ca 0.05 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1gkj h LEU 491 Cb 0.91 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1gkj h LEU 491 CO 0.08 0.06 0.26 -0.07 0.09 0.00 0.00 178.44 178.86 1gkj h LEU 492 N 0.26 0.70 -1.95 1.67 3.38 -0.85 -2.08 115.31 116.45 1gkj h LEU 492 Ca 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1gkj h LEU 492 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1gkj h LEU 492 CO -0.28 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 1gkj h ALA 493 N 1.10 1.92 -0.03 1.53 0.00 -0.31 0.28 119.26 123.75 1gkj h ALA 493 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gkj h ALA 493 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gkj h ALA 493 CO -0.02 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1gkj n LYS 494 N -4.47 1.52 -1.03 0.00 5.02 -0.49 -4.91 118.16 113.80 1gkj n LYS 494 Ca -0.03 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1gkj n LYS 494 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1gkj n LYS 494 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gkj n GLY 495 N 1.12 0.58 0.32 0.72 0.00 0.09 -4.95 105.19 103.07 1gkj n GLY 495 Ca 0.19 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1gkj n GLY 495 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1gkj h SER 496 N 0.00 0.01 -0.01 1.61 0.87 -1.55 -2.62 113.55 111.86 1gkj h SER 496 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1gkj h SER 496 Cb 0.25 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1gkj h SER 496 CO 0.00 0.00 -0.26 0.18 -0.53 0.00 0.00 176.83 176.22 1gkj n LEU 497 N -4.47 1.68 -0.13 2.23 4.77 -1.26 -4.61 117.00 115.21 1gkj n LEU 497 Ca 0.03 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.11 1gkj n LEU 497 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1gkj n LEU 497 CO 0.35 0.32 0.88 0.74 -1.33 0.00 0.00 177.39 178.36 1gkj h THR 498 N 1.91 1.21 0.00 -5.08 2.02 -1.80 -2.65 112.91 108.52 1gkj h THR 498 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1gkj h THR 498 Cb 0.54 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1gkj h THR 498 CO 0.00 0.24 0.00 1.23 0.37 0.00 0.00 175.52 177.36 1gkj h GLY 499 N 0.45 0.00 2.00 2.16 0.00 -1.82 -2.13 103.07 103.73 1gkj h GLY 499 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1gkj h GLY 499 CO -0.00 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.74 1gkj h LEU 500 N 0.00 0.00 -9.75 3.11 3.38 -1.79 -3.45 115.31 106.82 1gkj h LEU 500 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1gkj h LEU 500 Cb 0.04 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.82 1gkj h LEU 500 CO 0.00 0.21 0.57 -0.22 0.09 0.00 0.00 178.44 179.09 1gkj s LEU 501 N -6.49 4.47 0.74 1.67 2.96 -0.80 -4.92 118.68 116.31 1gkj s LEU 501 Ca 0.03 2.37 -0.15 0.00 -0.22 0.00 0.00 54.13 56.15 1gkj s LEU 501 Cb 0.08 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.18 1gkj s LEU 501 CO 0.66 -0.37 1.09 -2.65 -1.32 0.00 0.00 176.35 173.76 1gkj n PRO 502 N 1.84 0.48 -2.10 0.98 -0.02 -1.26 -4.95 135.00 129.96 1gkj n PRO 502 Ca 0.02 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 1gkj n PRO 502 Cb 0.44 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1gkj n PRO 502 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkj s ALA 503 N -1.87 2.63 -0.75 3.55 0.00 -1.26 -3.99 121.76 120.07 1gkj s ALA 503 Ca 0.75 0.73 -0.00 0.00 0.00 0.00 0.00 51.96 53.43 1gkj s ALA 503 Cb -0.33 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1gkj s ALA 503 CO 0.49 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1gkj n GLY 504 N -0.08 0.01 0.14 0.00 0.00 -1.21 -4.93 105.19 99.12 1gkj n GLY 504 Ca 0.11 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1gkj n GLY 504 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gkj n VAL 505 N -4.01 1.53 -3.67 1.61 0.31 -1.26 -4.98 118.33 107.86 1gkj n VAL 505 Ca -0.10 -0.43 -0.37 0.00 -0.01 0.00 0.00 64.34 63.43 1gkj n VAL 505 Cb 0.58 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.69 1gkj n VAL 505 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1gkj s LEU 506 N -7.25 4.42 0.27 7.52 1.43 -1.26 -5.01 118.68 118.79 1gkj s LEU 506 Ca -0.37 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1gkj s LEU 506 Cb 0.13 -2.45 0.59 0.00 0.03 0.00 0.00 46.19 44.49 1gkj s LEU 506 CO 0.53 0.33 1.67 -0.65 0.23 0.00 0.00 176.35 178.47 1gkj h PRO 507 N 4.62 0.26 -0.22 1.29 0.11 -1.94 -1.57 132.00 134.55 1gkj h PRO 507 Ca -0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1gkj h PRO 507 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1gkj h PRO 507 CO 0.61 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1gkj n SER 508 N -5.17 3.06 -0.04 -2.05 3.41 -1.26 -4.57 113.62 107.00 1gkj n SER 508 Ca 0.18 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1gkj n SER 508 Cb 0.57 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1gkj n SER 508 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06