#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkg s ARG 2 N 0.00 2.68 0.00 2.12 0.52 -1.26 -5.10 118.95 117.92 1bkg s ARG 2 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 1bkg s ARG 2 Cb 0.00 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1bkg s ARG 2 CO 0.00 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1bkg n GLY 3 N -1.85 4.46 3.85 -3.53 0.00 -1.26 -5.12 105.19 101.75 1bkg n GLY 3 Ca 0.08 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1bkg n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 4 N 0.00 3.38 0.71 0.99 1.43 -1.26 -5.04 118.68 118.89 1bkg s LEU 4 Ca 0.00 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1bkg s LEU 4 Cb 0.00 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1bkg s LEU 4 CO 0.00 -0.86 1.07 -0.94 0.23 0.00 0.00 176.35 175.86 1bkg s SER 5 N -3.65 5.07 0.18 2.29 1.04 -1.26 -4.92 113.70 112.45 1bkg s SER 5 Ca 0.57 1.73 -0.08 0.00 0.48 0.00 0.00 55.95 58.66 1bkg s SER 5 Cb -0.11 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.57 1bkg s SER 5 CO 0.45 -1.66 1.59 -0.09 0.98 0.00 0.00 173.24 174.51 1bkg h ARG 6 N -0.73 0.95 -0.89 4.02 2.43 -1.98 -2.27 114.38 115.92 1bkg h ARG 6 Ca -0.44 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.34 1bkg h ARG 6 Cb 1.22 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 1bkg h ARG 6 CO 0.55 1.05 0.53 0.07 -1.51 0.00 0.00 179.97 180.65 1bkg h ARG 7 N 0.83 1.21 0.00 0.20 0.11 -1.96 0.65 114.38 115.41 1bkg h ARG 7 Ca 0.12 -0.11 -0.11 0.00 0.10 0.00 0.00 59.98 59.98 1bkg h ARG 7 Cb 0.74 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1bkg h ARG 7 CO 0.06 0.85 -0.51 -0.24 0.10 0.00 0.00 179.97 180.23 1bkg h VAL 8 N 1.22 1.05 0.00 0.08 3.04 -1.93 -2.37 116.25 117.35 1bkg h VAL 8 Ca 0.32 -1.99 -0.07 0.00 -1.01 0.00 0.00 66.70 63.94 1bkg h VAL 8 Cb -0.04 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1bkg h VAL 8 CO -0.06 0.50 -0.33 1.56 -1.01 0.00 0.00 177.57 178.23 1bkg h GLN 9 N 0.00 0.00 0.02 4.17 4.20 -0.64 -3.20 115.11 119.66 1bkg h GLN 9 Ca -0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 1bkg h GLN 9 Cb 1.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 1bkg h GLN 9 CO 0.07 0.33 -1.32 0.00 -0.67 0.00 0.00 178.83 177.24 1bkg h ALA 10 N 1.67 0.49 -2.84 3.87 0.00 -0.64 -3.47 119.26 118.33 1bkg h ALA 10 Ca -0.00 -1.13 -0.52 0.00 0.00 0.00 0.00 54.91 53.25 1bkg h ALA 10 Cb 1.01 0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.99 1bkg h ALA 10 CO 0.04 1.35 0.66 1.41 0.00 0.00 0.00 179.25 182.72 1bkg s MET 11 N -2.66 4.34 -0.25 0.00 -2.45 -0.91 -5.03 119.30 112.34 1bkg s MET 11 Ca -0.02 2.22 -0.12 0.00 -1.25 0.00 0.00 55.69 56.51 1bkg s MET 11 Cb 0.09 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 33.03 1bkg s MET 11 CO 0.83 -0.24 0.24 0.15 1.05 0.00 0.00 175.02 177.05 1bkg s LYS 12 N -1.36 4.05 0.52 4.11 1.02 -1.26 -5.00 119.74 121.82 1bkg s LYS 12 Ca 0.52 -0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.15 1bkg s LYS 12 Cb -0.40 -3.58 -0.07 0.00 -0.52 0.00 0.00 37.83 33.26 1bkg s LYS 12 CO 0.50 -0.06 1.12 -1.25 -0.92 0.00 0.00 175.35 174.74 1bkg s PRO 13 N 1.40 3.50 -0.39 -1.68 0.04 -1.26 -4.81 135.00 131.79 1bkg s PRO 13 Ca 0.10 1.61 -0.36 0.00 0.04 0.00 0.00 61.00 62.39 1bkg s PRO 13 Cb -0.15 -2.10 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 1bkg s PRO 13 CO 0.07 -0.73 1.33 0.45 0.04 0.00 0.00 177.00 178.16 1bkg n SER 14 N -1.09 0.87 0.02 6.66 2.88 -1.26 -4.86 113.62 116.83 1bkg n SER 14 Ca 0.10 0.84 -0.12 0.00 -1.33 0.00 0.00 58.87 58.37 1bkg n SER 14 Cb 0.51 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1bkg n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bkg h ALA 15 N 4.51 0.54 -0.46 -1.46 0.00 -1.94 -1.83 119.26 118.63 1bkg h ALA 15 Ca -0.29 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 1bkg h ALA 15 Cb 1.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1bkg h ALA 15 CO 0.78 0.72 -0.12 1.79 0.00 0.00 0.00 179.25 182.42 1bkg h THR 16 N 0.40 1.27 -0.43 0.00 1.35 -1.98 -1.38 112.91 112.13 1bkg h THR 16 Ca -0.02 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1bkg h THR 16 Cb 1.27 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1bkg h THR 16 CO 0.13 0.43 0.25 0.58 -0.25 0.00 0.00 175.52 176.65 1bkg h VAL 17 N 0.73 1.15 -0.32 6.82 2.07 -1.93 -2.27 116.25 122.49 1bkg h VAL 17 Ca 0.11 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1bkg h VAL 17 Cb 0.67 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1bkg h VAL 17 CO 0.05 0.16 0.20 0.00 0.02 0.00 0.00 177.57 178.00 1bkg h ALA 18 N 1.10 0.41 0.00 1.67 0.00 -1.09 -2.24 119.26 119.11 1bkg h ALA 18 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1bkg h ALA 18 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1bkg h ALA 18 CO -0.03 -0.11 -0.22 -0.39 0.00 0.00 0.00 179.25 178.50 1bkg h VAL 19 N 0.42 0.68 -0.23 0.00 -1.51 -1.14 -2.55 116.25 111.92 1bkg h VAL 19 Ca 0.12 -0.96 -0.15 0.00 -1.23 0.00 0.00 66.70 64.47 1bkg h VAL 19 Cb -0.02 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1bkg h VAL 19 CO -0.02 0.22 -0.44 0.78 -1.23 0.00 0.00 177.57 176.87 1bkg h ASN 20 N 0.00 0.79 -0.46 4.19 2.35 -1.02 -2.28 115.58 119.14 1bkg h ASN 20 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1bkg h ASN 20 Cb 0.60 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1bkg h ASN 20 CO 0.03 1.18 0.30 0.00 -1.65 0.00 0.00 177.43 177.29 1bkg h ALA 21 N 0.63 0.58 -0.41 -0.83 0.00 -1.13 -0.65 119.26 117.45 1bkg h ALA 21 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bkg h ALA 21 Cb 1.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bkg h ALA 21 CO 0.10 0.04 0.25 -0.22 0.00 0.00 0.00 179.25 179.42 1bkg h LYS 22 N 0.62 0.56 0.00 0.00 3.11 -1.43 0.15 116.57 119.58 1bkg h LYS 22 Ca 0.17 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.88 1bkg h LYS 22 Cb -0.06 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1bkg h LYS 22 CO -0.04 0.42 -0.38 0.00 -2.81 0.00 0.00 179.45 176.65 1bkg h ALA 23 N 1.11 1.28 0.09 5.00 0.00 -1.23 -1.19 119.26 124.33 1bkg h ALA 23 Ca 0.15 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1bkg h ALA 23 Cb 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bkg h ALA 23 CO -0.03 0.47 -1.17 1.25 0.00 0.00 0.00 179.25 179.77 1bkg h LEU 24 N 0.00 0.68 -0.78 0.00 5.85 -0.64 -3.18 115.31 117.25 1bkg h LEU 24 Ca -0.00 -0.63 -0.13 0.00 0.84 0.00 0.00 57.88 57.96 1bkg h LEU 24 Cb 0.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1bkg h LEU 24 CO 0.05 1.45 -0.59 1.05 -0.34 0.00 0.00 178.44 180.06 1bkg h GLU 25 N 0.21 0.08 -0.41 1.25 4.11 -0.46 -2.95 114.58 116.41 1bkg h GLU 25 Ca -0.15 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.16 1bkg h GLU 25 Cb 1.84 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1bkg h GLU 25 CO 0.21 0.64 -0.05 -0.07 0.07 0.00 0.00 179.01 179.81 1bkg h LEU 26 N 0.06 0.66 -1.08 3.06 3.38 -1.28 -2.25 115.31 117.86 1bkg h LEU 26 Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1bkg h LEU 26 Cb 1.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1bkg h LEU 26 CO 0.08 0.76 -0.36 0.03 0.09 0.00 0.00 178.44 179.04 1bkg h ARG 27 N 0.64 0.00 -0.19 1.13 3.08 -1.50 -1.56 114.38 115.98 1bkg h ARG 27 Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1bkg h ARG 27 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1bkg h ARG 27 CO 0.02 0.36 -0.50 0.00 -1.07 0.00 0.00 179.97 178.78 1bkg h ARG 28 N 0.00 0.52 0.00 0.04 2.47 -1.30 -1.41 114.38 114.70 1bkg h ARG 28 Ca -0.00 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1bkg h ARG 28 Cb 0.81 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1bkg h ARG 28 CO 0.05 0.90 0.00 1.04 0.56 0.00 0.00 179.97 182.52 1bkg n GLN 29 N -3.98 0.30 -0.73 0.04 1.13 -0.76 -4.78 117.38 108.61 1bkg n GLN 29 Ca -0.03 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1bkg n GLN 29 Cb 0.57 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.42 1bkg n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bkg n GLY 30 N -0.31 0.77 3.74 1.08 0.00 -0.53 -5.01 105.19 104.92 1bkg n GLY 30 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1bkg n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkg s VAL 31 N -2.88 3.02 -0.68 1.61 1.01 -0.66 -4.95 120.40 116.86 1bkg s VAL 31 Ca 0.00 0.82 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 1bkg s VAL 31 Cb 0.00 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.95 1bkg s VAL 31 CO 0.00 0.11 0.89 -0.62 0.00 0.00 0.00 175.10 175.48 1bkg s ASP 32 N 0.49 6.26 0.06 3.32 2.15 -1.26 -4.23 116.67 123.46 1bkg s ASP 32 Ca 0.59 -1.36 0.04 0.00 0.43 0.00 0.00 52.55 52.25 1bkg s ASP 32 Cb -0.39 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 1bkg s ASP 32 CO 0.38 -1.24 -0.11 -1.48 -0.17 0.00 0.00 175.17 172.55 1bkg s LEU 33 N 3.24 2.28 -0.28 -1.34 0.05 -1.26 -4.74 118.68 116.63 1bkg s LEU 33 Ca 0.20 -0.61 -0.12 0.00 0.05 0.00 0.00 54.13 53.65 1bkg s LEU 33 Cb -0.18 -0.35 -0.05 0.00 -2.05 0.00 0.00 46.19 43.57 1bkg s LEU 33 CO 0.05 -0.15 0.23 -0.69 -0.55 0.00 0.00 176.35 175.24 1bkg s VAL 34 N -1.44 5.28 -0.24 1.48 1.01 0.01 -4.98 120.40 121.51 1bkg s VAL 34 Ca -0.04 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1bkg s VAL 34 Cb -0.09 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1bkg s VAL 34 CO 0.01 0.22 0.46 0.00 0.00 0.00 0.00 175.10 175.80 1bkg s ALA 35 N 1.82 3.57 -0.24 5.51 0.00 -1.26 -1.04 121.76 130.11 1bkg s ALA 35 Ca 0.08 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1bkg s ALA 35 Cb -0.16 -2.79 0.44 0.00 0.00 0.00 0.00 23.12 20.61 1bkg s ALA 35 CO 0.11 -0.59 1.27 1.28 0.00 0.00 0.00 175.76 177.82 1bkg n LEU 36 N 5.18 3.41 -0.01 0.00 4.77 -0.34 -4.67 117.00 125.34 1bkg n LEU 36 Ca -0.06 -4.04 0.11 0.00 -0.03 0.00 0.00 56.01 51.98 1bkg n LEU 36 Cb 0.50 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 1bkg n LEU 36 CO 0.40 1.51 -0.51 0.35 -1.33 0.00 0.00 177.39 177.81 1bkg n THR 37 N -1.05 0.00 -1.71 -5.08 -2.24 -1.24 -1.30 114.28 101.66 1bkg n THR 37 Ca 0.26 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1bkg n THR 37 Cb 0.80 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 1bkg n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bkg n ALA 38 N -1.98 1.55 -1.74 6.98 0.00 -1.26 -4.93 120.51 119.13 1bkg n ALA 38 Ca -0.01 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 1bkg n ALA 38 Cb 0.48 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.77 1bkg n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 39 N 1.00 5.60 3.10 0.00 0.00 -1.26 -4.73 105.19 108.91 1bkg n GLY 39 Ca 0.05 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1bkg n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bkg s GLU 40 N -3.38 0.40 0.55 1.61 -1.05 -1.26 -5.03 118.70 110.53 1bkg s GLU 40 Ca 0.43 -0.14 -0.20 0.00 -0.15 0.00 0.00 54.97 54.91 1bkg s GLU 40 Cb 0.39 0.17 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 1bkg s GLU 40 CO -0.03 -0.09 0.94 -2.30 0.95 0.00 0.00 175.26 174.74 1bkg n PRO 41 N 2.01 1.01 0.08 -4.83 -0.02 -1.26 -4.89 135.00 127.10 1bkg n PRO 41 Ca -0.19 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1bkg n PRO 41 Cb 0.57 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 1bkg n PRO 41 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bkg h ASP 42 N 0.79 0.00 -4.11 2.55 2.03 -1.99 -3.46 116.42 112.23 1bkg h ASP 42 Ca -0.47 -0.16 -0.49 0.00 -0.73 0.00 0.00 57.03 55.18 1bkg h ASP 42 Cb 1.36 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.91 1bkg h ASP 42 CO 0.52 0.08 0.40 -0.36 -1.03 0.00 0.00 179.24 178.85 1bkg s PHE 43 N -3.21 2.87 0.73 4.15 0.08 -1.26 -5.04 117.98 116.30 1bkg s PHE 43 Ca 0.05 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.57 1bkg s PHE 43 Cb 0.12 -3.12 0.07 0.00 -0.57 0.00 0.00 43.02 39.51 1bkg s PHE 43 CO 0.73 -1.17 1.04 0.34 -0.10 0.00 0.00 175.22 176.06 1bkg s ASP 44 N -2.15 4.73 0.21 1.36 -1.08 -1.26 -4.87 116.67 113.61 1bkg s ASP 44 Ca 0.68 0.49 -0.30 0.00 -0.52 0.00 0.00 52.55 52.90 1bkg s ASP 44 Cb -0.19 -1.10 -0.08 0.00 -1.46 0.00 0.00 42.92 40.09 1bkg s ASP 44 CO 0.27 -1.67 1.15 0.42 0.52 0.00 0.00 175.17 175.86 1bkg s THR 45 N -3.31 3.62 0.53 1.71 -4.23 -1.24 -4.83 115.64 107.89 1bkg s THR 45 Ca 0.61 1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 62.35 1bkg s THR 45 Cb -0.11 -3.91 -0.09 0.00 1.34 0.00 0.00 72.50 69.73 1bkg s THR 45 CO 0.45 0.26 0.62 -0.81 -0.54 0.00 0.00 174.62 174.61 1bkg n PRO 46 N 2.13 0.64 -0.33 3.99 -0.04 -1.26 -4.79 135.00 135.33 1bkg n PRO 46 Ca 0.02 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.75 1bkg n PRO 46 Cb 0.45 -1.75 0.15 0.00 -0.04 0.00 0.00 33.50 32.31 1bkg n PRO 46 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bkg h GLU 47 N 0.49 1.00 -0.56 0.54 4.39 -1.99 -2.42 114.58 116.03 1bkg h GLU 47 Ca -0.45 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.24 1bkg h GLU 47 Cb 1.39 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1bkg h GLU 47 CO 0.49 0.66 0.37 1.12 -1.16 0.00 0.00 179.01 180.50 1bkg h HIS 48 N 1.03 0.56 -0.31 4.33 2.07 -1.98 0.75 115.15 121.61 1bkg h HIS 48 Ca 0.40 0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.80 1bkg h HIS 48 Cb 0.18 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 29.97 1bkg h HIS 48 CO -0.02 0.31 -0.32 0.28 -3.07 0.00 0.00 177.93 175.11 1bkg h VAL 49 N 0.57 1.29 -0.61 6.12 2.07 -1.76 -1.75 116.25 122.18 1bkg h VAL 49 Ca 0.24 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1bkg h VAL 49 Cb 0.22 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1bkg h VAL 49 CO -0.07 0.48 0.21 0.11 0.02 0.00 0.00 177.57 178.32 1bkg h LYS 50 N 0.53 0.92 -0.52 1.57 1.57 -0.89 -2.25 116.57 117.49 1bkg h LYS 50 Ca 0.05 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1bkg h LYS 50 Cb 0.90 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1bkg h LYS 50 CO 0.08 0.78 0.11 0.93 -0.57 0.00 0.00 179.45 180.77 1bkg h GLU 51 N 0.89 0.85 -0.39 3.15 4.39 -0.70 -0.42 114.58 122.36 1bkg h GLU 51 Ca 0.20 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1bkg h GLU 51 Cb 0.23 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1bkg h GLU 51 CO -0.01 0.83 0.26 0.00 -1.16 0.00 0.00 179.01 178.92 1bkg h ALA 52 N 0.99 1.76 -0.09 3.43 0.00 -0.89 0.15 119.26 124.61 1bkg h ALA 52 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1bkg h ALA 52 Cb 0.37 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bkg h ALA 52 CO 0.01 0.22 -0.09 0.00 0.00 0.00 0.00 179.25 179.38 1bkg h ALA 53 N 1.76 0.14 -0.49 0.00 0.00 -0.80 -1.90 119.26 117.97 1bkg h ALA 53 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1bkg h ALA 53 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1bkg h ALA 53 CO -0.03 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.39 1bkg h ARG 54 N -0.18 0.70 -0.43 0.00 3.08 -0.33 -0.16 114.38 117.06 1bkg h ARG 54 Ca 0.02 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1bkg h ARG 54 Cb 0.61 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1bkg h ARG 54 CO 0.02 0.57 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.25 1bkg h ARG 55 N 0.70 0.82 -0.31 0.04 2.43 -0.67 -1.49 114.38 115.90 1bkg h ARG 55 Ca 0.17 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1bkg h ARG 55 Cb 0.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1bkg h ARG 55 CO -0.02 0.92 -0.08 0.00 -1.51 0.00 0.00 179.97 179.28 1bkg h ALA 56 N 1.10 0.42 -0.43 2.80 0.00 -0.50 -1.49 119.26 121.17 1bkg h ALA 56 Ca 0.11 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1bkg h ALA 56 Cb 0.66 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1bkg h ALA 56 CO 0.05 0.25 0.17 -0.07 0.00 0.00 0.00 179.25 179.65 1bkg h LEU 57 N 0.36 0.21 -1.08 0.00 3.38 -0.87 -1.97 115.31 115.35 1bkg h LEU 57 Ca 0.08 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1bkg h LEU 57 Cb 0.57 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1bkg h LEU 57 CO 0.03 0.16 -0.10 0.00 0.09 0.00 0.00 178.44 178.62 1bkg h ALA 58 N 1.26 1.23 -0.03 1.53 0.00 -1.16 -2.67 119.26 119.42 1bkg h ALA 58 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bkg h ALA 58 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bkg h ALA 58 CO -0.18 0.50 0.00 1.04 0.00 0.00 0.00 179.25 180.61 1bkg n GLN 59 N -4.21 1.14 -2.42 0.00 6.02 -0.57 -4.91 117.38 112.43 1bkg n GLN 59 Ca 0.01 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.65 1bkg n GLN 59 Cb 0.31 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1bkg n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bkg n GLY 60 N 0.84 -0.13 2.82 1.08 0.00 -0.99 -4.92 105.19 103.90 1bkg n GLY 60 Ca 0.14 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1bkg n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bkg n LYS 61 N -2.43 3.68 -0.06 1.61 5.02 -0.79 -4.51 118.16 120.68 1bkg n LYS 61 Ca -0.12 -3.47 0.04 0.00 -2.02 0.00 0.00 58.31 52.74 1bkg n LYS 61 Cb 0.60 -2.91 0.06 0.00 -0.02 0.00 0.00 35.03 32.76 1bkg n LYS 61 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bkg n THR 62 N 3.26 1.24 -2.77 -0.18 -2.24 -1.26 -4.15 114.28 108.17 1bkg n THR 62 Ca 0.43 -1.39 -0.21 0.00 -2.27 0.00 0.00 64.05 60.60 1bkg n THR 62 Cb 0.35 0.23 0.07 0.00 -2.10 0.00 0.00 70.33 68.88 1bkg n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bkg s LYS 63 N -1.64 2.19 0.41 -0.78 -0.14 -1.26 -4.99 119.74 113.53 1bkg s LYS 63 Ca 0.13 -1.19 -0.27 0.00 -1.36 0.00 0.00 55.97 53.29 1bkg s LYS 63 Cb 0.11 -2.50 -0.09 0.00 -1.68 0.00 0.00 37.83 33.67 1bkg s LYS 63 CO 0.01 -0.97 1.41 0.71 -0.76 0.00 0.00 175.35 175.75 1bkg s TYR 64 N -2.83 2.62 0.25 3.18 2.02 -1.26 -4.69 117.35 116.64 1bkg s TYR 64 Ca 0.62 1.28 0.06 0.00 -0.37 0.00 0.00 57.07 58.66 1bkg s TYR 64 Cb -0.07 -3.88 -0.03 0.00 -0.40 0.00 0.00 41.96 37.57 1bkg s TYR 64 CO 0.40 -2.69 0.25 0.00 -1.57 0.00 0.00 175.55 171.95 1bkg s ALA 65 N -1.18 3.71 0.72 3.71 0.00 -1.26 -5.09 121.76 122.36 1bkg s ALA 65 Ca 0.57 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1bkg s ALA 65 Cb -0.43 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1bkg s ALA 65 CO 0.57 0.24 1.19 -2.14 0.00 0.00 0.00 175.76 175.62 1bkg s PRO 66 N -3.89 2.26 0.40 0.00 0.02 -1.26 -4.53 135.00 128.00 1bkg s PRO 66 Ca 0.33 1.68 0.17 0.00 0.02 0.00 0.00 61.00 63.20 1bkg s PRO 66 Cb -0.08 -1.86 1.07 0.00 0.02 0.00 0.00 34.50 33.65 1bkg s PRO 66 CO 0.26 -1.72 1.82 -1.35 -0.33 0.00 0.00 177.00 175.68 1bkg h PRO 67 N -0.25 0.42 0.00 5.54 0.11 -1.89 0.66 132.00 136.60 1bkg h PRO 67 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bkg h PRO 67 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1bkg h PRO 67 CO 0.50 0.28 -0.46 0.00 -0.21 0.00 0.00 178.00 178.11 1bkg n ALA 68 N -2.49 3.39 0.00 -0.75 0.00 -1.26 -4.74 120.51 114.65 1bkg n ALA 68 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1bkg n ALA 68 Cb 0.74 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1bkg n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 69 N 1.49 2.95 3.75 0.00 0.00 0.22 -0.79 105.19 112.82 1bkg n GLY 69 Ca 0.05 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1bkg n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bkg s ILE 70 N -2.79 2.37 0.31 -0.61 -4.36 -1.26 -4.36 121.20 110.49 1bkg s ILE 70 Ca 0.00 0.32 0.07 0.00 -0.26 0.00 0.00 60.65 60.78 1bkg s ILE 70 Cb 0.00 -3.20 0.31 0.00 1.25 0.00 0.00 42.46 40.82 1bkg s ILE 70 CO 0.00 0.05 1.66 -0.65 0.24 0.00 0.00 174.94 176.25 1bkg h PRO 71 N 4.77 0.28 -0.74 0.37 0.11 -1.97 0.15 132.00 134.98 1bkg h PRO 71 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1bkg h PRO 71 Cb 1.22 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1bkg h PRO 71 CO 0.77 0.19 0.45 0.93 -0.21 0.00 0.00 178.00 180.13 1bkg h GLU 72 N 0.29 0.82 -0.22 1.05 3.07 -2.00 -0.87 114.58 116.73 1bkg h GLU 72 Ca 0.61 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.27 1bkg h GLU 72 Cb 1.28 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1bkg h GLU 72 CO -0.61 0.54 -0.51 1.25 -1.40 0.00 0.00 179.01 178.28 1bkg h LEU 73 N 0.85 0.68 -1.26 1.33 6.46 -1.34 -2.56 115.31 119.46 1bkg h LEU 73 Ca 0.31 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1bkg h LEU 73 Cb 0.10 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1bkg h LEU 73 CO -0.14 1.07 -0.01 0.03 -0.62 0.00 0.00 178.44 178.76 1bkg h ARG 74 N 0.48 0.48 -0.22 1.25 3.08 -0.92 0.16 114.38 118.70 1bkg h ARG 74 Ca 0.02 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 1bkg h ARG 74 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1bkg h ARG 74 CO 0.10 0.52 -0.61 0.93 -1.07 0.00 0.00 179.97 179.84 1bkg h GLU 75 N 0.47 0.74 -0.05 0.04 5.08 -1.07 -1.12 114.58 118.68 1bkg h GLU 75 Ca 0.10 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 1bkg h GLU 75 Cb 0.32 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1bkg h GLU 75 CO 0.01 1.13 -0.50 0.00 -1.00 0.00 0.00 179.01 178.65 1bkg h ALA 76 N 0.76 1.08 -0.29 3.43 0.00 -1.04 -2.22 119.26 120.98 1bkg h ALA 76 Ca -0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1bkg h ALA 76 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1bkg h ALA 76 CO 0.13 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.81 1bkg h LEU 77 N 0.09 0.62 -0.70 0.00 4.07 -0.41 0.04 115.31 119.03 1bkg h LEU 77 Ca 0.00 -0.41 0.06 0.00 0.08 0.00 0.00 57.88 57.61 1bkg h LEU 77 Cb 0.92 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.44 1bkg h LEU 77 CO 0.07 0.90 0.40 0.00 -1.08 0.00 0.00 178.44 178.72 1bkg h ALA 78 N 0.75 0.93 -0.56 1.53 0.00 -1.02 -0.96 119.26 119.93 1bkg h ALA 78 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1bkg h ALA 78 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1bkg h ALA 78 CO 0.04 0.09 -0.01 1.49 0.00 0.00 0.00 179.25 180.86 1bkg h GLU 79 N 0.73 0.98 -0.06 0.00 4.57 -1.17 -1.90 114.58 117.72 1bkg h GLU 79 Ca 0.31 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1bkg h GLU 79 Cb 0.18 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1bkg h GLU 79 CO -0.18 0.97 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.36 1bkg h LYS 80 N 0.90 0.14 -0.36 1.92 3.11 -0.34 0.27 116.57 122.20 1bkg h LYS 80 Ca 0.16 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1bkg h LYS 80 Cb 0.53 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1bkg h LYS 80 CO 0.03 0.53 0.06 0.74 -2.81 0.00 0.00 179.45 177.99 1bkg h PHE 81 N -0.26 0.55 0.38 1.91 0.04 -1.19 0.42 116.94 118.79 1bkg h PHE 81 Ca 0.01 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1bkg h PHE 81 Cb 0.49 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1bkg h PHE 81 CO 0.07 0.50 -0.18 -0.09 -0.60 0.00 0.00 178.31 178.01 1bkg h ARG 82 N 0.53 -0.49 0.10 1.51 2.43 -1.28 -1.74 114.38 115.43 1bkg h ARG 82 Ca 0.12 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1bkg h ARG 82 Cb 0.25 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1bkg h ARG 82 CO 0.00 -0.28 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.04 1bkg h ARG 83 N -1.11 -0.13 0.00 0.20 2.43 -0.40 -2.20 114.38 113.17 1bkg h ARG 83 Ca -0.05 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 1bkg h ARG 83 Cb 0.43 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1bkg h ARG 83 CO 0.09 0.01 -1.05 0.93 -1.51 0.00 0.00 179.97 178.43 1bkg h GLU 84 N -0.24 0.00 0.00 0.20 5.08 -0.32 -3.40 114.58 115.89 1bkg h GLU 84 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bkg h GLU 84 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1bkg h GLU 84 CO 0.02 0.65 -0.56 0.09 -1.00 0.00 0.00 179.01 178.22 1bkg n ASN 85 N -3.18 1.51 0.00 1.42 5.03 -0.72 -5.01 115.26 114.31 1bkg n ASN 85 Ca -0.04 -0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.02 1bkg n ASN 85 Cb 0.88 1.07 0.00 0.00 -1.02 0.00 0.00 39.78 40.72 1bkg n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bkg n GLY 86 N 1.50 0.75 3.75 7.41 0.00 -0.82 -4.51 105.19 113.27 1bkg n GLY 86 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1bkg n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 87 N 0.00 4.60 -0.85 0.99 1.02 -0.81 -4.80 118.68 118.83 1bkg s LEU 87 Ca 0.00 1.98 -0.02 0.00 0.02 0.00 0.00 54.13 56.11 1bkg s LEU 87 Cb 0.00 -3.66 0.34 0.00 0.02 0.00 0.00 46.19 42.89 1bkg s LEU 87 CO 0.00 0.08 2.04 -1.20 0.02 0.00 0.00 176.35 177.29 1bkg n SER 88 N 1.32 7.51 -4.91 2.29 7.64 -1.26 -3.34 113.62 122.87 1bkg n SER 88 Ca -0.01 -3.82 -0.28 0.00 1.01 0.00 0.00 58.87 55.77 1bkg n SER 88 Cb 0.47 -1.08 0.03 0.00 -1.01 0.00 0.00 64.21 62.62 1bkg n SER 88 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1bkg s VAL 89 N -4.98 3.93 0.31 0.44 -7.23 -1.26 -5.10 120.40 106.51 1bkg s VAL 89 Ca 0.52 0.19 0.10 0.00 -1.81 0.00 0.00 61.98 60.98 1bkg s VAL 89 Cb 0.43 -3.56 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 1bkg s VAL 89 CO -0.40 -0.62 -0.05 0.42 -0.31 0.00 0.00 175.10 174.14 1bkg s THR 90 N -3.03 2.73 0.43 5.32 -4.23 -1.26 -4.92 115.64 110.68 1bkg s THR 90 Ca 0.54 -2.08 0.18 0.00 -1.18 0.00 0.00 61.69 59.15 1bkg s THR 90 Cb -0.11 -2.68 0.38 0.00 1.34 0.00 0.00 72.50 71.44 1bkg s THR 90 CO 0.47 -0.28 1.86 -0.65 -0.54 0.00 0.00 174.62 175.48 1bkg h PRO 91 N 1.95 0.36 0.00 3.99 0.11 -1.92 0.25 132.00 136.74 1bkg h PRO 91 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bkg h PRO 91 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1bkg h PRO 91 CO 0.64 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 1bkg n GLU 92 N -4.49 0.17 -0.96 1.05 4.71 -1.26 -1.58 120.64 118.28 1bkg n GLU 92 Ca 0.19 0.48 -0.11 0.00 -0.01 0.00 0.00 57.16 57.70 1bkg n GLU 92 Cb 0.70 -1.88 0.19 0.00 -1.01 0.00 0.00 31.44 29.44 1bkg n GLU 92 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1bkg n GLU 93 N -2.21 1.98 -4.22 3.49 1.02 0.87 -4.83 120.64 116.73 1bkg n GLU 93 Ca 0.01 -3.15 -0.19 0.00 -0.02 0.00 0.00 57.16 53.81 1bkg n GLU 93 Cb 0.17 -1.94 -0.12 0.00 -0.02 0.00 0.00 31.44 29.53 1bkg n GLU 93 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1bkg s THR 94 N -3.30 1.11 -0.07 2.62 2.01 -0.61 -2.43 115.64 114.97 1bkg s THR 94 Ca 0.49 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 1bkg s THR 94 Cb 0.43 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.92 1bkg s THR 94 CO 0.03 -0.16 0.34 -0.51 -0.69 0.00 0.00 174.62 173.64 1bkg s ILE 95 N -1.15 0.03 -0.12 1.82 2.07 -0.42 -4.97 121.20 118.47 1bkg s ILE 95 Ca -0.01 -0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 58.95 1bkg s ILE 95 Cb -0.09 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1bkg s ILE 95 CO 0.02 -0.14 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.16 1bkg s VAL 96 N -0.68 3.78 0.30 4.00 1.01 0.03 -1.72 120.40 127.12 1bkg s VAL 96 Ca -0.08 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1bkg s VAL 96 Cb -0.04 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1bkg s VAL 96 CO 0.03 0.54 0.09 0.42 0.00 0.00 0.00 175.10 176.17 1bkg s THR 97 N -0.08 0.82 -1.25 3.92 -4.23 0.53 -4.56 115.64 110.79 1bkg s THR 97 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1bkg s THR 97 Cb -0.13 -2.68 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 1bkg s THR 97 CO 0.03 0.00 1.96 0.52 -0.54 0.00 0.00 174.62 176.59 1bkg n VAL 98 N -0.60 3.14 0.00 2.29 0.31 -1.26 -0.68 118.33 121.53 1bkg n VAL 98 Ca -0.01 -3.03 0.00 0.00 -0.01 0.00 0.00 64.34 61.29 1bkg n VAL 98 Cb 0.66 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1bkg n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bkg n GLY 99 N 4.89 -0.47 0.24 2.92 0.00 -1.16 -3.75 105.19 107.86 1bkg n GLY 99 Ca 0.49 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.94 1bkg n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bkg h GLY 100 N 0.00 0.00 1.16 -0.02 0.00 -1.80 -2.94 103.07 99.48 1bkg h GLY 100 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1bkg h GLY 100 CO 0.00 0.00 0.39 1.70 0.00 0.00 0.00 176.54 178.63 1bkg h LYS 101 N 0.00 1.09 0.00 4.80 3.64 -1.92 -1.66 116.57 122.52 1bkg h LYS 101 Ca -0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1bkg h LYS 101 Cb 0.50 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1bkg h LYS 101 CO 0.02 0.82 -0.08 0.37 -2.27 0.00 0.00 179.45 178.31 1bkg h GLN 102 N 1.09 0.00 -0.09 1.90 4.15 -1.60 -0.04 115.11 120.50 1bkg h GLN 102 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1bkg h GLN 102 Cb 0.08 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1bkg h GLN 102 CO -0.04 0.08 -0.01 0.00 -1.93 0.00 0.00 178.83 176.94 1bkg h ALA 103 N 1.92 0.13 -0.16 3.38 0.00 -1.30 -1.20 119.26 122.03 1bkg h ALA 103 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bkg h ALA 103 Cb 0.93 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bkg h ALA 103 CO 0.01 -0.18 0.02 -0.07 0.00 0.00 0.00 179.25 179.03 1bkg h LEU 104 N -0.12 0.27 0.08 0.00 3.38 -1.22 -1.02 115.31 116.68 1bkg h LEU 104 Ca 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1bkg h LEU 104 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bkg h LEU 104 CO 0.01 0.48 -0.09 0.15 0.09 0.00 0.00 178.44 179.08 1bkg h PHE 105 N 0.04 -0.23 -0.06 1.13 3.04 -1.02 -1.71 116.94 118.12 1bkg h PHE 105 Ca 0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1bkg h PHE 105 Cb 0.34 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1bkg h PHE 105 CO 0.03 -0.14 -0.10 -0.91 -2.02 0.00 0.00 178.31 175.16 1bkg h ASN 106 N -0.20 0.09 0.72 0.41 -0.26 -1.22 -2.22 115.58 112.90 1bkg h ASN 106 Ca 0.01 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1bkg h ASN 106 Cb 0.20 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1bkg h ASN 106 CO -0.03 0.21 -0.37 0.25 -1.06 0.00 0.00 177.43 176.42 1bkg h LEU 107 N 0.09 -0.89 -1.25 1.61 6.46 -0.51 -2.28 115.31 118.54 1bkg h LEU 107 Ca 0.02 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1bkg h LEU 107 Cb 0.25 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 1bkg h LEU 107 CO 0.02 -0.61 0.55 -0.26 -0.62 0.00 0.00 178.44 177.51 1bkg h PHE 108 N -1.00 0.91 0.00 1.25 0.04 -1.22 0.43 116.94 117.34 1bkg h PHE 108 Ca -0.10 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1bkg h PHE 108 Cb 0.78 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1bkg h PHE 108 CO 0.03 0.45 -0.16 1.96 -0.60 0.00 0.00 178.31 179.99 1bkg h GLN 109 N 0.87 0.00 0.00 1.51 1.08 -1.35 -1.78 115.11 115.44 1bkg h GLN 109 Ca 0.38 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 1bkg h GLN 109 Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1bkg h GLN 109 CO -0.14 0.16 -1.09 0.00 -0.95 0.00 0.00 178.83 176.81 1bkg h ALA 110 N 1.84 0.57 0.00 3.87 0.00 -0.33 -3.40 119.26 121.81 1bkg h ALA 110 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bkg h ALA 110 Cb 0.47 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bkg h ALA 110 CO 0.02 0.30 0.00 0.44 0.00 0.00 0.00 179.25 180.01 1bkg n ILE 111 N -2.77 0.00 -3.84 0.00 -5.35 -0.79 -5.03 119.36 101.58 1bkg n ILE 111 Ca -0.03 -0.49 -0.36 0.00 -0.27 0.00 0.00 62.75 61.60 1bkg n ILE 111 Cb 0.64 1.01 -0.12 0.00 -1.74 0.00 0.00 39.64 39.44 1bkg n ILE 111 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bkg s LEU 112 N -0.89 3.58 0.09 7.28 1.43 -0.68 -5.05 118.68 124.45 1bkg s LEU 112 Ca 0.00 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1bkg s LEU 112 Cb 0.00 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1bkg s LEU 112 CO 0.00 0.03 0.12 -1.81 0.23 0.00 0.00 176.35 174.92 1bkg s ASP 113 N 1.25 5.73 0.12 2.29 1.01 -1.26 -4.86 116.67 120.96 1bkg s ASP 113 Ca 0.05 0.04 -0.35 0.00 0.71 0.00 0.00 52.55 52.99 1bkg s ASP 113 Cb -0.14 -1.59 -0.15 0.00 1.01 0.00 0.00 42.92 42.04 1bkg s ASP 113 CO 0.04 0.15 1.46 -2.65 0.21 0.00 0.00 175.17 174.37 1bkg n PRO 114 N 0.26 1.63 0.00 8.23 -0.02 -1.26 -1.40 135.00 142.43 1bkg n PRO 114 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1bkg n PRO 114 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1bkg n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bkg n GLY 115 N 2.95 2.03 3.76 -1.23 0.00 -0.30 -4.97 105.19 107.44 1bkg n GLY 115 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1bkg n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bkg s ASP 116 N -1.52 6.61 0.02 1.61 1.01 -0.50 -4.61 116.67 119.29 1bkg s ASP 116 Ca 0.00 2.79 -0.05 0.00 0.71 0.00 0.00 52.55 56.00 1bkg s ASP 116 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1bkg s ASP 116 CO 0.00 -0.69 0.26 -1.61 0.21 0.00 0.00 175.17 173.34 1bkg s GLU 117 N -1.39 3.54 -0.11 8.23 2.02 -0.47 -0.52 118.70 130.01 1bkg s GLU 117 Ca 0.54 -0.15 -0.00 0.00 0.02 0.00 0.00 54.97 55.37 1bkg s GLU 117 Cb -0.42 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 30.77 1bkg s GLU 117 CO 0.52 0.64 -0.07 0.08 0.02 0.00 0.00 175.26 176.45 1bkg s VAL 118 N -1.35 0.94 -0.03 2.63 1.01 -0.26 -0.50 120.40 122.85 1bkg s VAL 118 Ca 0.29 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1bkg s VAL 118 Cb -0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1bkg s VAL 118 CO 0.18 0.35 0.91 -0.63 0.00 0.00 0.00 175.10 175.91 1bkg s ILE 119 N 1.70 4.91 -0.09 2.22 1.01 -0.43 -1.20 121.20 129.32 1bkg s ILE 119 Ca 0.04 1.90 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1bkg s ILE 119 Cb -0.13 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.11 1bkg s ILE 119 CO -0.07 0.17 -0.16 -0.69 0.00 0.00 0.00 174.94 174.19 1bkg s VAL 120 N 1.04 1.45 -0.22 2.92 1.01 -0.13 -1.45 120.40 125.01 1bkg s VAL 120 Ca 0.48 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1bkg s VAL 120 Cb -0.20 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1bkg s VAL 120 CO 0.25 0.43 0.71 -0.76 0.00 0.00 0.00 175.10 175.72 1bkg s LEU 121 N 0.74 4.10 0.04 3.92 1.43 -1.26 -1.81 118.68 125.84 1bkg s LEU 121 Ca -0.12 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1bkg s LEU 121 Cb -0.16 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1bkg s LEU 121 CO 0.03 -0.38 0.20 -0.94 0.23 0.00 0.00 176.35 175.48 1bkg s SER 122 N 1.32 6.33 0.25 2.29 1.04 -0.83 -3.45 113.70 120.65 1bkg s SER 122 Ca 0.31 0.28 -0.31 0.00 0.48 0.00 0.00 55.95 56.71 1bkg s SER 122 Cb -0.16 -1.96 -0.11 0.00 0.10 0.00 0.00 66.02 63.89 1bkg s SER 122 CO 0.09 0.20 1.63 -2.84 0.98 0.00 0.00 173.24 173.30 1bkg s PRO 123 N -2.33 4.14 0.29 4.02 0.02 -1.26 -1.68 135.00 138.20 1bkg s PRO 123 Ca 0.32 2.55 0.11 0.00 0.02 0.00 0.00 61.00 64.01 1bkg s PRO 123 Cb -0.13 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 1bkg s PRO 123 CO 0.25 -0.66 -0.12 1.52 -0.33 0.00 0.00 177.00 177.66 1bkg s TYR 124 N 0.51 2.43 0.09 6.54 -0.85 -0.50 -4.63 117.35 120.93 1bkg s TYR 124 Ca 0.68 -0.32 -0.31 0.00 -0.52 0.00 0.00 57.07 56.60 1bkg s TYR 124 Cb -0.48 -1.12 -0.07 0.00 0.38 0.00 0.00 41.96 40.68 1bkg s TYR 124 CO 0.41 0.66 1.36 -0.46 -1.52 0.00 0.00 175.55 176.00 1bkg s TRP 125 N -2.47 3.23 0.18 -3.49 -0.00 -1.23 -4.45 118.94 110.71 1bkg s TRP 125 Ca 0.31 1.00 0.10 0.00 -0.00 0.00 0.00 56.10 57.51 1bkg s TRP 125 Cb -0.04 -3.63 0.64 0.00 -0.00 0.00 0.00 33.47 30.43 1bkg s TRP 125 CO 0.17 -2.19 0.77 0.28 -0.00 0.00 0.00 176.95 175.98 1bkg n VAL 126 N 4.03 -0.21 0.18 5.86 0.31 -1.26 -1.72 118.33 125.52 1bkg n VAL 126 Ca 0.11 1.00 0.07 0.00 -0.01 0.00 0.00 64.34 65.51 1bkg n VAL 126 Cb 0.43 -1.62 0.09 0.00 -0.91 0.00 0.00 33.84 31.84 1bkg n VAL 126 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bkg h SER 127 N 0.00 0.00 0.07 4.52 0.02 -1.93 -3.38 113.55 112.85 1bkg h SER 127 Ca 0.41 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1bkg h SER 127 Cb 1.07 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1bkg h SER 127 CO -0.38 0.26 -0.24 1.88 -1.14 0.00 0.00 176.83 177.21 1bkg h TYR 128 N 0.00 -0.64 -0.68 3.45 0.05 -1.72 -0.47 116.97 116.96 1bkg h TYR 128 Ca -0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1bkg h TYR 128 Cb 1.20 0.27 -0.04 0.00 1.01 0.00 0.00 36.73 39.18 1bkg h TYR 128 CO 0.00 -0.34 0.44 -1.35 -1.05 0.00 0.00 178.16 175.87 1bkg h PRO 129 N -0.42 0.86 -0.51 4.88 0.11 -1.78 -1.59 132.00 133.55 1bkg h PRO 129 Ca 0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1bkg h PRO 129 Cb 0.46 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1bkg h PRO 129 CO -0.17 0.57 0.26 0.93 -0.21 0.00 0.00 178.00 179.39 1bkg h GLU 130 N 0.89 0.73 -0.42 1.05 4.39 -1.68 -2.19 114.58 117.35 1bkg h GLU 130 Ca 0.26 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 1bkg h GLU 130 Cb -0.06 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1bkg h GLU 130 CO -0.07 0.59 -0.24 0.52 -1.16 0.00 0.00 179.01 178.65 1bkg h MET 131 N 0.69 0.86 -0.09 2.33 2.86 -0.90 -2.05 114.93 118.62 1bkg h MET 131 Ca 0.18 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1bkg h MET 131 Cb 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1bkg h MET 131 CO -0.03 1.00 0.05 0.28 1.06 0.00 0.00 176.91 179.28 1bkg h VAL 132 N 0.74 1.08 -0.12 -2.22 2.07 -1.10 -2.96 116.25 113.73 1bkg h VAL 132 Ca 0.10 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1bkg h VAL 132 Cb 0.78 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1bkg h VAL 132 CO 0.06 0.07 -0.48 0.03 0.02 0.00 0.00 177.57 177.27 1bkg h ARG 133 N 0.07 0.31 0.00 1.57 3.08 -1.41 -1.20 114.38 116.80 1bkg h ARG 133 Ca 0.03 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1bkg h ARG 133 Cb 0.06 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1bkg h ARG 133 CO -0.01 0.73 -0.10 0.35 -1.07 0.00 0.00 179.97 179.87 1bkg h PHE 134 N 0.25 0.00 -0.01 3.04 3.57 -1.33 0.34 116.94 122.81 1bkg h PHE 134 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1bkg h PHE 134 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1bkg h PHE 134 CO 0.02 0.10 -0.12 0.00 -2.23 0.00 0.00 178.31 176.08 1bkg n ALA 135 N -2.39 2.81 -0.15 2.41 0.00 -1.03 -4.93 120.51 117.23 1bkg n ALA 135 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1bkg n ALA 135 Cb 0.19 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1bkg n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 136 N 1.25 0.58 3.94 0.00 0.00 0.11 -4.49 105.19 106.58 1bkg n GLY 136 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1bkg n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bkg s GLY 137 N -1.17 1.75 -0.10 -0.02 0.00 -0.48 -1.15 107.32 106.14 1bkg s GLY 137 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1bkg s GLY 137 CO 0.00 -0.58 -0.21 0.14 0.00 0.00 0.00 173.10 172.45 1bkg s VAL 138 N -3.61 2.37 -0.21 1.40 1.01 0.33 -4.02 120.40 117.67 1bkg s VAL 138 Ca 0.69 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1bkg s VAL 138 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1bkg s VAL 138 CO 0.50 0.55 0.67 -0.69 0.00 0.00 0.00 175.10 176.13 1bkg s VAL 139 N 0.18 4.98 -0.30 2.92 1.01 -1.26 -1.10 120.40 126.83 1bkg s VAL 139 Ca -0.12 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 1bkg s VAL 139 Cb -0.16 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1bkg s VAL 139 CO 0.07 0.07 0.06 -0.69 0.00 0.00 0.00 175.10 174.61 1bkg s VAL 140 N 2.12 3.70 -0.04 2.92 1.01 -0.34 -4.95 120.40 124.82 1bkg s VAL 140 Ca 0.30 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1bkg s VAL 140 Cb -0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1bkg s VAL 140 CO 0.10 0.01 0.56 -1.61 0.00 0.00 0.00 175.10 174.16 1bkg s GLU 141 N 1.43 4.30 -0.16 2.72 2.02 -1.26 -0.95 118.70 126.80 1bkg s GLU 141 Ca 0.01 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.65 1bkg s GLU 141 Cb -0.18 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.70 1bkg s GLU 141 CO 0.01 0.32 -0.19 0.08 0.02 0.00 0.00 175.26 175.51 1bkg s VAL 142 N 0.00 2.25 0.28 2.63 1.01 -0.75 -4.95 120.40 120.87 1bkg s VAL 142 Ca 0.30 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1bkg s VAL 142 Cb -0.17 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.18 1bkg s VAL 142 CO 0.15 0.53 1.07 -0.70 0.00 0.00 0.00 175.10 176.15 1bkg s GLU 143 N 1.00 4.65 -0.09 2.72 2.12 -1.26 -1.97 118.70 125.87 1bkg s GLU 143 Ca -0.02 1.73 0.03 0.00 0.36 0.00 0.00 54.97 57.07 1bkg s GLU 143 Cb -0.15 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1bkg s GLU 143 CO -0.05 0.25 -0.19 0.99 -0.54 0.00 0.00 175.26 175.72 1bkg s THR 144 N -1.20 2.53 -0.10 -1.70 2.01 -0.67 -4.80 115.64 111.71 1bkg s THR 144 Ca 0.45 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1bkg s THR 144 Cb -0.30 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1bkg s THR 144 CO 0.39 0.55 0.07 -0.76 -0.69 0.00 0.00 174.62 174.18 1bkg s LEU 145 N 0.07 4.00 0.33 4.42 1.43 -1.26 -4.60 118.68 123.06 1bkg s LEU 145 Ca -0.08 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1bkg s LEU 145 Cb -0.15 -1.96 0.56 0.00 0.03 0.00 0.00 46.19 44.67 1bkg s LEU 145 CO 0.05 0.39 1.90 1.55 0.23 0.00 0.00 176.35 180.48 1bkg h PRO 146 N 5.04 0.70 0.00 1.29 0.13 -1.96 0.17 132.00 137.37 1bkg h PRO 146 Ca -0.53 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1bkg h PRO 146 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bkg h PRO 146 CO 0.56 0.60 0.00 1.05 -0.23 0.00 0.00 178.00 179.99 1bkg h GLU 147 N 0.69 0.00 -0.37 0.86 4.11 -2.01 0.13 114.58 117.99 1bkg h GLU 147 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1bkg h GLU 147 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bkg h GLU 147 CO -0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.46 1bkg n GLU 148 N -2.38 3.42 -1.56 1.06 1.02 0.17 -4.94 120.64 117.43 1bkg n GLU 148 Ca 0.01 -2.85 -0.14 0.00 -0.02 0.00 0.00 57.16 54.16 1bkg n GLU 148 Cb 0.22 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1bkg n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bkg n GLY 149 N -0.05 1.18 2.43 0.62 0.00 0.46 -2.72 105.19 107.11 1bkg n GLY 149 Ca 0.22 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1bkg n GLY 149 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bkg n PHE 150 N -2.83 -0.51 -3.75 1.61 3.72 0.36 -4.83 117.46 111.24 1bkg n PHE 150 Ca -0.15 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 1bkg n PHE 150 Cb 0.49 -3.45 -0.07 0.00 -0.94 0.00 0.00 39.48 35.51 1bkg n PHE 150 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bkg s VAL 151 N -2.83 5.40 0.38 -4.37 1.01 -1.10 -4.86 120.40 114.03 1bkg s VAL 151 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 1bkg s VAL 151 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 1bkg s VAL 151 CO 0.00 0.52 1.19 -2.16 0.00 0.00 0.00 175.10 174.65 1bkg s PRO 152 N -0.36 4.12 -0.46 2.72 0.04 -1.26 -4.61 135.00 135.19 1bkg s PRO 152 Ca 0.14 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1bkg s PRO 152 Cb -0.12 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.70 1bkg s PRO 152 CO 0.03 -0.28 0.46 0.34 0.04 0.00 0.00 177.00 177.59 1bkg s ASP 153 N -1.01 6.18 0.04 6.66 -1.08 -1.26 -4.95 116.67 121.24 1bkg s ASP 153 Ca 0.55 -1.00 0.02 0.00 -0.52 0.00 0.00 52.55 51.60 1bkg s ASP 153 Cb -0.32 -2.22 0.10 0.00 -1.46 0.00 0.00 42.92 39.02 1bkg s ASP 153 CO 0.41 -0.67 0.95 -0.81 0.52 0.00 0.00 175.17 175.56 1bkg n PRO 154 N 5.56 0.01 0.11 4.34 -0.04 -1.26 -1.42 135.00 142.29 1bkg n PRO 154 Ca -0.09 0.41 -0.24 0.00 -0.04 0.00 0.00 63.50 63.53 1bkg n PRO 154 Cb 0.45 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1bkg n PRO 154 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bkg h GLU 155 N 0.00 0.47 0.00 0.54 4.57 -1.99 -2.06 114.58 116.11 1bkg h GLU 155 Ca 0.00 -0.80 -0.06 0.00 -1.18 0.00 0.00 59.36 57.32 1bkg h GLU 155 Cb 0.25 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1bkg h GLU 155 CO 0.00 1.38 -0.26 0.00 -1.18 0.00 0.00 179.01 178.95 1bkg h ARG 156 N 0.13 0.00 -0.21 1.92 3.08 -1.66 -2.53 114.38 115.11 1bkg h ARG 156 Ca -0.31 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.60 1bkg h ARG 156 Cb 2.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.19 1bkg h ARG 156 CO 0.23 0.26 -0.43 0.28 -1.07 0.00 0.00 179.97 179.24 1bkg h VAL 157 N 0.00 1.32 -0.42 2.04 2.07 -1.50 -3.15 116.25 116.60 1bkg h VAL 157 Ca -0.00 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 1bkg h VAL 157 Cb 0.47 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1bkg h VAL 157 CO 0.03 0.52 0.19 -0.09 0.02 0.00 0.00 177.57 178.25 1bkg h ARG 158 N 0.36 0.59 0.00 1.57 2.43 -0.97 -1.62 114.38 116.73 1bkg h ARG 158 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1bkg h ARG 158 Cb 1.03 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1bkg h ARG 158 CO 0.10 0.46 0.00 0.54 -1.51 0.00 0.00 179.97 179.56 1bkg n ARG 159 N -4.40 0.43 0.00 0.20 1.74 -0.99 -2.41 116.66 111.24 1bkg n ARG 159 Ca 0.03 0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1bkg n ARG 159 Cb 0.13 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1bkg n ARG 159 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bkg n ALA 160 N -1.18 3.26 -1.83 7.54 0.00 -0.61 -4.97 120.51 122.72 1bkg n ALA 160 Ca 0.12 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1bkg n ALA 160 Cb 0.13 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 1bkg n ALA 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bkg s ILE 161 N -1.96 3.69 0.33 0.00 1.01 -1.01 -4.98 121.20 118.28 1bkg s ILE 161 Ca 0.13 1.64 0.07 0.00 0.00 0.00 0.00 60.65 62.48 1bkg s ILE 161 Cb 0.13 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1bkg s ILE 161 CO 0.43 0.36 0.27 0.42 0.00 0.00 0.00 174.94 176.42 1bkg s THR 162 N -0.93 0.02 0.04 2.92 -4.23 -1.26 -5.01 115.64 107.18 1bkg s THR 162 Ca 0.45 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.28 1bkg s THR 162 Cb -0.30 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.39 1bkg s THR 162 CO 0.38 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.77 1bkg h PRO 163 N 2.15 0.00 0.00 3.99 0.11 -1.99 -2.47 132.00 133.79 1bkg h PRO 163 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bkg h PRO 163 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bkg h PRO 163 CO 0.38 0.00 -0.31 0.54 -0.21 0.00 0.00 178.00 178.40 1bkg n ARG 164 N -2.78 0.12 -1.63 1.05 1.74 -1.26 -4.91 116.66 108.98 1bkg n ARG 164 Ca -0.00 0.06 -0.44 0.00 -0.77 0.00 0.00 57.85 56.70 1bkg n ARG 164 Cb 0.21 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1bkg n ARG 164 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1bkg n THR 165 N -1.79 0.58 -0.07 0.55 -1.04 -0.93 -1.36 114.28 110.21 1bkg n THR 165 Ca 0.05 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.05 61.74 1bkg n THR 165 Cb 0.38 -2.33 -0.13 0.00 -1.82 0.00 0.00 70.33 66.43 1bkg n THR 165 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bkg n LYS 166 N 7.90 1.32 -3.66 -2.82 3.00 0.35 -4.77 118.16 119.48 1bkg n LYS 166 Ca 0.25 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.44 1bkg n LYS 166 Cb 0.40 -1.41 -0.04 0.00 0.00 0.00 0.00 35.03 33.99 1bkg n LYS 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bkg s ALA 167 N -2.45 -1.08 -0.04 3.14 0.00 -1.19 -1.70 121.76 118.44 1bkg s ALA 167 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1bkg s ALA 167 Cb 0.05 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1bkg s ALA 167 CO 0.66 -0.77 -0.03 -1.17 0.00 0.00 0.00 175.76 174.45 1bkg s LEU 168 N -2.83 1.24 -0.28 0.00 2.96 0.14 -1.32 118.68 118.58 1bkg s LEU 168 Ca 0.06 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1bkg s LEU 168 Cb -0.01 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1bkg s LEU 168 CO -0.07 -0.07 0.14 -0.69 -1.32 0.00 0.00 176.35 174.34 1bkg s VAL 169 N 1.02 4.71 -0.04 1.68 1.01 -0.53 -1.00 120.40 127.25 1bkg s VAL 169 Ca -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1bkg s VAL 169 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1bkg s VAL 169 CO -0.01 0.21 -0.09 0.68 0.00 0.00 0.00 175.10 175.89 1bkg s VAL 170 N 1.66 3.51 -0.27 2.92 -7.23 -0.05 -4.17 120.40 116.76 1bkg s VAL 170 Ca 0.06 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1bkg s VAL 170 Cb -0.16 -2.45 0.09 0.00 0.56 0.00 0.00 36.38 34.42 1bkg s VAL 170 CO 0.07 0.52 0.10 0.21 -0.31 0.00 0.00 175.10 175.69 1bkg s ASN 171 N -1.01 3.55 -0.08 4.85 3.04 -1.26 -0.86 114.94 123.16 1bkg s ASN 171 Ca 0.14 -1.30 -0.03 0.00 0.04 0.00 0.00 52.86 51.70 1bkg s ASN 171 Cb -0.11 -0.58 0.04 0.00 -1.54 0.00 0.00 41.25 39.06 1bkg s ASN 171 CO 0.03 -0.40 0.16 -0.55 -3.04 0.00 0.00 177.10 173.30 1bkg s SER 172 N 1.87 0.32 0.57 -4.21 0.15 -1.19 -3.08 113.70 108.14 1bkg s SER 172 Ca 0.07 0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.86 1bkg s SER 172 Cb -0.17 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1bkg s SER 172 CO -0.26 -0.20 1.25 -2.65 1.20 0.00 0.00 173.24 172.58 1bkg n PRO 173 N 4.81 1.39 -3.45 5.44 -0.02 -1.26 -4.63 135.00 137.28 1bkg n PRO 173 Ca -0.15 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1bkg n PRO 173 Cb 0.51 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1bkg n PRO 173 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bkg s ASN 174 N -1.07 6.73 -0.11 2.55 3.84 -0.17 -4.63 114.94 122.08 1bkg s ASN 174 Ca 0.75 0.94 0.03 0.00 0.21 0.00 0.00 52.86 54.79 1bkg s ASN 174 Cb -0.42 -2.24 0.01 0.00 -0.55 0.00 0.00 41.25 38.06 1bkg s ASN 174 CO 0.47 0.12 -0.19 0.21 -2.79 0.00 0.00 177.10 174.91 1bkg s ASN 175 N -1.80 2.73 0.00 -4.21 3.84 -1.26 -0.30 114.94 113.94 1bkg s ASN 175 Ca 0.37 -0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.21 1bkg s ASN 175 Cb -0.14 -1.25 0.83 0.00 -0.55 0.00 0.00 41.25 40.14 1bkg s ASN 175 CO 0.19 0.08 1.61 -0.81 -2.79 0.00 0.00 177.10 175.38 1bkg n PRO 176 N 3.88 0.90 0.14 0.43 -0.04 -1.26 -3.51 135.00 135.54 1bkg n PRO 176 Ca -0.20 -0.52 0.01 0.00 -0.04 0.00 0.00 63.50 62.76 1bkg n PRO 176 Cb 0.52 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1bkg n PRO 176 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1bkg h THR 177 N 1.26 1.16 0.00 0.52 1.35 -1.88 -3.36 112.91 111.95 1bkg h THR 177 Ca 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1bkg h THR 177 Cb 0.49 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1bkg h THR 177 CO 0.00 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1bkg n GLY 178 N 0.64 0.66 3.79 5.82 0.00 0.59 -4.58 105.19 112.11 1bkg n GLY 178 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1bkg n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bkg s ALA 179 N -2.73 2.84 -0.22 4.61 0.00 -1.26 -1.26 121.76 123.74 1bkg s ALA 179 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1bkg s ALA 179 Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1bkg s ALA 179 CO 0.00 -0.40 -0.15 0.08 0.00 0.00 0.00 175.76 175.29 1bkg s VAL 180 N -1.95 2.09 0.24 0.00 1.01 -1.26 -1.00 120.40 119.53 1bkg s VAL 180 Ca 0.68 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1bkg s VAL 180 Cb -0.18 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.04 1bkg s VAL 180 CO 0.21 0.22 1.04 -0.31 0.00 0.00 0.00 175.10 176.26 1bkg s TYR 181 N 1.20 3.73 0.61 5.22 2.02 -1.26 -5.03 117.35 123.84 1bkg s TYR 181 Ca -0.03 1.76 -0.18 0.00 -0.37 0.00 0.00 57.07 58.26 1bkg s TYR 181 Cb -0.17 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.20 1bkg s TYR 181 CO -0.09 -0.18 1.17 -2.14 -1.57 0.00 0.00 175.55 172.74 1bkg s PRO 182 N -1.07 2.93 0.28 -1.71 0.02 -1.26 -4.80 135.00 129.39 1bkg s PRO 182 Ca 0.44 1.67 0.02 0.00 0.02 0.00 0.00 61.00 63.15 1bkg s PRO 182 Cb -0.29 -1.94 0.64 0.00 0.02 0.00 0.00 34.50 32.92 1bkg s PRO 182 CO 0.36 -1.20 1.76 -0.22 -0.33 0.00 0.00 177.00 177.37 1bkg h LYS 183 N 0.64 0.63 -0.24 5.54 3.64 -1.96 -1.72 116.57 123.10 1bkg h LYS 183 Ca -0.49 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1bkg h LYS 183 Cb 1.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1bkg h LYS 183 CO 0.55 0.42 0.14 0.93 -2.27 0.00 0.00 179.45 179.22 1bkg h GLU 184 N 0.65 0.29 -0.78 1.90 3.07 -1.99 -0.34 114.58 117.38 1bkg h GLU 184 Ca 0.52 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.31 1bkg h GLU 184 Cb 0.80 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1bkg h GLU 184 CO -0.39 0.19 0.28 0.28 -1.40 0.00 0.00 179.01 177.97 1bkg h VAL 185 N 0.30 1.26 -0.38 3.13 2.07 -1.71 -1.44 116.25 119.48 1bkg h VAL 185 Ca 0.09 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1bkg h VAL 185 Cb -0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1bkg h VAL 185 CO -0.04 0.35 -0.21 -0.07 0.02 0.00 0.00 177.57 177.62 1bkg h LEU 186 N 1.15 0.75 -0.75 2.57 4.07 -1.13 -1.35 115.31 120.62 1bkg h LEU 186 Ca 0.26 -0.26 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1bkg h LEU 186 Cb 0.26 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1bkg h LEU 186 CO -0.01 0.95 0.03 -0.33 -1.08 0.00 0.00 178.44 177.99 1bkg h GLU 187 N 0.65 0.98 -0.31 1.13 5.08 -0.73 -1.56 114.58 119.82 1bkg h GLU 187 Ca 0.09 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1bkg h GLU 187 Cb 0.71 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1bkg h GLU 187 CO 0.05 0.95 0.15 0.00 -1.00 0.00 0.00 179.01 179.16 1bkg h ALA 188 N 1.11 0.41 -0.59 3.43 0.00 -0.90 -1.16 119.26 121.55 1bkg h ALA 188 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1bkg h ALA 188 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bkg h ALA 188 CO 0.02 -0.03 0.08 -0.07 0.00 0.00 0.00 179.25 179.25 1bkg h LEU 189 N 0.37 0.93 -1.10 0.00 3.38 -1.13 -2.31 115.31 115.45 1bkg h LEU 189 Ca 0.11 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1bkg h LEU 189 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1bkg h LEU 189 CO -0.01 0.94 0.07 0.00 0.09 0.00 0.00 178.44 179.52 1bkg h ALA 190 N 1.17 1.27 -0.49 1.53 0.00 -0.97 -2.43 119.26 119.33 1bkg h ALA 190 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1bkg h ALA 190 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bkg h ALA 190 CO 0.01 0.50 -0.18 0.00 0.00 0.00 0.00 179.25 179.58 1bkg h ARG 191 N 0.68 0.97 -0.98 0.00 2.47 -0.88 -2.68 114.38 113.96 1bkg h ARG 191 Ca 0.15 -0.39 0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1bkg h ARG 191 Cb 0.32 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.55 1bkg h ARG 191 CO 0.01 1.06 0.65 -0.07 0.56 0.00 0.00 179.97 182.17 1bkg h LEU 192 N 0.84 1.10 -0.76 3.04 3.38 -0.95 0.89 115.31 122.86 1bkg h LEU 192 Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1bkg h LEU 192 Cb 0.75 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1bkg h LEU 192 CO 0.06 0.78 0.10 0.00 0.09 0.00 0.00 178.44 179.47 1bkg h ALA 193 N 1.40 0.97 -0.12 1.53 0.00 -1.29 0.94 119.26 122.70 1bkg h ALA 193 Ca 0.37 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1bkg h ALA 193 Cb -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1bkg h ALA 193 CO -0.09 0.65 -0.25 0.28 0.00 0.00 0.00 179.25 179.83 1bkg h VAL 194 N 0.98 1.38 -0.51 0.00 2.07 -1.08 0.20 116.25 119.28 1bkg h VAL 194 Ca 0.19 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1bkg h VAL 194 Cb 0.43 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1bkg h VAL 194 CO 0.01 0.45 0.24 -0.08 0.02 0.00 0.00 177.57 178.21 1bkg h GLU 195 N -0.05 0.75 -0.09 1.57 4.81 -0.72 -3.01 114.58 117.84 1bkg h GLU 195 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1bkg h GLU 195 Cb 0.85 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1bkg h GLU 195 CO 0.06 0.63 0.00 0.72 -0.73 0.00 0.00 179.01 179.68 1bkg n HIS 196 N -4.58 0.08 -3.20 0.92 8.25 0.31 -5.02 115.22 111.98 1bkg n HIS 196 Ca 0.02 -0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1bkg n HIS 196 Cb 0.13 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 1bkg n HIS 196 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bkg n ASP 197 N 1.13 -7.11 -3.85 0.41 2.03 0.49 -5.02 116.55 104.64 1bkg n ASP 197 Ca 0.16 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 1bkg n ASP 197 Cb 0.55 -4.96 -0.07 0.00 -0.72 0.00 0.00 41.12 35.92 1bkg n ASP 197 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1bkg s PHE 198 N -3.16 1.04 0.07 -0.67 -0.12 0.08 -4.97 117.98 110.24 1bkg s PHE 198 Ca 0.18 -1.25 -0.23 0.00 -0.05 0.00 0.00 56.93 55.58 1bkg s PHE 198 Cb -0.03 -0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 41.98 1bkg s PHE 198 CO 0.76 -0.85 0.71 0.71 -0.05 0.00 0.00 175.22 176.50 1bkg s TYR 199 N -3.81 3.77 -0.22 3.49 2.02 -0.69 -4.61 117.35 117.30 1bkg s TYR 199 Ca 0.34 1.43 -0.09 0.00 -0.37 0.00 0.00 57.07 58.37 1bkg s TYR 199 Cb 0.03 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 1bkg s TYR 199 CO 0.15 0.39 0.11 -1.17 -1.57 0.00 0.00 175.55 173.46 1bkg s LEU 200 N -0.48 3.90 -0.35 -1.29 0.20 0.13 -0.68 118.68 120.12 1bkg s LEU 200 Ca 0.35 0.04 -0.03 0.00 0.69 0.00 0.00 54.13 55.19 1bkg s LEU 200 Cb -0.20 -2.03 0.07 0.00 -0.43 0.00 0.00 46.19 43.60 1bkg s LEU 200 CO 0.22 0.08 0.09 -0.69 -0.29 0.00 0.00 176.35 175.76 1bkg s VAL 201 N 0.95 3.21 -0.38 1.68 1.01 -0.17 -0.75 120.40 125.94 1bkg s VAL 201 Ca 0.06 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.31 1bkg s VAL 201 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1bkg s VAL 201 CO 0.03 -0.34 0.23 -0.55 0.00 0.00 0.00 175.10 174.47 1bkg s SER 202 N 1.48 5.82 -0.61 3.32 0.15 -0.08 -0.87 113.70 122.91 1bkg s SER 202 Ca 0.01 -0.96 -0.21 0.00 0.70 0.00 0.00 55.95 55.49 1bkg s SER 202 Cb -0.21 -2.06 0.08 0.00 -1.71 0.00 0.00 66.02 62.13 1bkg s SER 202 CO -0.02 -0.40 0.82 -0.62 1.20 0.00 0.00 173.24 174.23 1bkg s ASP 203 N 1.59 6.19 -0.16 5.45 -1.08 -0.04 -0.43 116.67 128.19 1bkg s ASP 203 Ca 0.03 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.11 1bkg s ASP 203 Cb -0.19 -2.36 0.58 0.00 -1.46 0.00 0.00 42.92 39.49 1bkg s ASP 203 CO 0.07 -1.24 1.49 -0.62 0.52 0.00 0.00 175.17 175.40 1bkg n GLU 204 N 6.99 3.43 -0.31 4.34 1.02 0.26 -3.18 120.64 133.19 1bkg n GLU 204 Ca -0.06 -2.81 0.35 0.00 -0.02 0.00 0.00 57.16 54.62 1bkg n GLU 204 Cb 0.44 -1.86 0.74 0.00 -0.02 0.00 0.00 31.44 30.75 1bkg n GLU 204 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1bkg h ILE 205 N 2.57 0.37 -0.41 -3.67 -0.00 -1.90 0.12 117.51 114.60 1bkg h ILE 205 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1bkg h ILE 205 Cb 1.46 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 38.67 1bkg h ILE 205 CO 0.25 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 177.18 1bkg n TYR 206 N -4.10 1.29 -0.25 0.16 4.01 -1.26 -4.46 117.16 112.54 1bkg n TYR 206 Ca 0.25 -0.46 0.21 0.00 -0.16 0.00 0.00 57.90 57.74 1bkg n TYR 206 Cb 1.25 -0.32 0.55 0.00 -0.31 0.00 0.00 39.34 40.50 1bkg n TYR 206 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1bkg h GLU 207 N 2.73 0.33 0.00 -0.72 4.11 -1.04 -2.04 114.58 117.95 1bkg h GLU 207 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1bkg h GLU 207 Cb 1.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1bkg h GLU 207 CO 0.28 0.22 -0.52 0.72 0.07 0.00 0.00 179.01 179.78 1bkg n HIS 208 N -4.49 0.16 -2.86 2.06 8.25 -1.26 -4.30 115.22 112.77 1bkg n HIS 208 Ca 0.20 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 1bkg n HIS 208 Cb 0.78 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 31.52 1bkg n HIS 208 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bkg n LEU 209 N -1.68 6.62 -4.23 2.41 4.77 -0.76 -4.90 117.00 119.23 1bkg n LEU 209 Ca 0.05 -5.17 -0.32 0.00 -0.03 0.00 0.00 56.01 50.54 1bkg n LEU 209 Cb 0.37 -1.28 -0.17 0.00 -2.33 0.00 0.00 43.42 40.01 1bkg n LEU 209 CO 0.35 1.71 -0.56 -0.22 -1.33 0.00 0.00 177.39 177.34 1bkg s LEU 210 N -2.69 2.08 -0.13 2.23 2.96 -1.26 0.08 118.68 121.96 1bkg s LEU 210 Ca 0.33 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1bkg s LEU 210 Cb 0.08 -1.40 -0.11 0.00 0.50 0.00 0.00 46.19 45.26 1bkg s LEU 210 CO 0.06 0.19 -0.05 -1.22 -1.32 0.00 0.00 176.35 174.01 1bkg n TYR 211 N 3.34 0.00 -4.31 5.38 4.01 0.08 -4.98 117.16 120.69 1bkg n TYR 211 Ca -0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.38 1bkg n TYR 211 Cb 0.53 -0.55 -0.14 0.00 -0.31 0.00 0.00 39.34 38.87 1bkg n TYR 211 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bkg s GLU 212 N -2.28 0.68 0.59 -0.72 0.41 -1.20 -5.09 118.70 111.09 1bkg s GLU 212 Ca -0.13 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 1bkg s GLU 212 Cb 0.04 -0.64 0.00 0.00 -1.78 0.00 0.00 34.13 31.75 1bkg s GLU 212 CO 0.39 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 1bkg n GLY 213 N 2.70 -1.86 3.16 -1.39 0.00 -1.26 -4.87 105.19 101.67 1bkg n GLY 213 Ca -0.14 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 1bkg n GLY 213 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bkg s GLU 214 N 0.00 0.79 -0.29 1.61 2.02 -1.26 -5.10 118.70 116.47 1bkg s GLU 214 Ca 0.00 -1.00 -0.20 0.00 0.02 0.00 0.00 54.97 53.79 1bkg s GLU 214 Cb 0.00 -0.65 -0.01 0.00 0.10 0.00 0.00 34.13 33.57 1bkg s GLU 214 CO 0.00 0.13 0.61 -1.58 0.02 0.00 0.00 175.26 174.44 1bkg s HIS 215 N -1.70 3.24 -0.12 1.61 5.65 -1.26 -4.84 115.29 117.88 1bkg s HIS 215 Ca -0.00 0.65 -0.02 0.00 0.25 0.00 0.00 55.06 55.93 1bkg s HIS 215 Cb -0.08 -2.92 -0.03 0.00 -1.18 0.00 0.00 32.58 28.38 1bkg s HIS 215 CO 0.01 -0.41 -0.05 0.12 -0.65 0.00 0.00 174.74 173.77 1bkg s PHE 216 N 2.54 3.01 -0.37 3.88 5.36 -1.26 -5.06 117.98 126.08 1bkg s PHE 216 Ca 0.25 -0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.94 1bkg s PHE 216 Cb -0.15 -1.85 -0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1bkg s PHE 216 CO 0.11 0.14 0.26 -1.12 -1.46 0.00 0.00 175.22 173.15 1bkg s SER 217 N -0.17 6.08 0.60 6.13 0.01 -1.26 -4.95 113.70 120.14 1bkg s SER 217 Ca 0.03 -0.61 0.30 0.00 1.31 0.00 0.00 55.95 56.98 1bkg s SER 217 Cb -0.13 -2.15 1.72 0.00 0.21 0.00 0.00 66.02 65.67 1bkg s SER 217 CO 0.03 -0.32 2.10 -0.65 0.41 0.00 0.00 173.24 174.80 1bkg h PRO 218 N 8.55 0.00 0.00 12.44 0.11 -1.95 -1.58 132.00 149.57 1bkg h PRO 218 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1bkg h PRO 218 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bkg h PRO 218 CO 0.67 0.00 0.04 0.41 -0.21 0.00 0.00 178.00 178.92 1bkg n GLY 219 N -1.36 -0.74 0.21 -0.55 0.00 -1.26 -0.95 105.19 100.54 1bkg n GLY 219 Ca 0.01 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1bkg n GLY 219 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bkg h ARG 220 N 0.00 0.72 0.04 1.61 3.08 -1.59 -3.12 114.38 115.12 1bkg h ARG 220 Ca 0.00 -0.64 -0.09 0.00 0.07 0.00 0.00 59.98 59.32 1bkg h ARG 220 Cb 0.09 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1bkg h ARG 220 CO 0.00 1.25 -0.37 0.28 -1.07 0.00 0.00 179.97 180.05 1bkg h VAL 221 N 0.46 1.59 -2.24 2.04 2.07 -1.25 -3.40 116.25 115.53 1bkg h VAL 221 Ca -0.07 -2.22 -0.60 0.00 0.82 0.00 0.00 66.70 64.63 1bkg h VAL 221 Cb 1.49 3.03 -0.42 0.00 -1.52 0.00 0.00 31.29 33.87 1bkg h VAL 221 CO 0.17 0.61 -0.67 0.00 0.02 0.00 0.00 177.57 177.70 1bkg n ALA 222 N -2.59 3.78 0.28 1.67 0.00 -0.96 -4.96 120.51 117.72 1bkg n ALA 222 Ca -0.11 -4.54 0.12 0.00 0.00 0.00 0.00 53.44 48.91 1bkg n ALA 222 Cb 0.60 -0.90 0.79 0.00 0.00 0.00 0.00 19.45 19.95 1bkg n ALA 222 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1bkg h PRO 223 N 4.27 0.00 -0.00 0.00 0.13 -1.77 -1.47 132.00 133.16 1bkg h PRO 223 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1bkg h PRO 223 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1bkg h PRO 223 CO 0.77 0.00 -0.33 0.39 -0.23 0.00 0.00 178.00 178.60 1bkg n GLU 224 N -4.17 0.55 -0.00 0.86 1.02 -1.26 -4.03 120.64 113.62 1bkg n GLU 224 Ca -0.03 -0.31 0.01 0.00 -0.02 0.00 0.00 57.16 56.81 1bkg n GLU 224 Cb 0.09 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1bkg n GLU 224 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1bkg n HIS 225 N -0.95 0.00 -3.79 -0.32 8.25 -0.95 -4.78 115.22 112.68 1bkg n HIS 225 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 1bkg n HIS 225 Cb 0.34 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 1bkg n HIS 225 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bkg s THR 226 N -1.57 5.39 -0.23 1.59 2.01 -0.59 -0.69 115.64 121.55 1bkg s THR 226 Ca 0.00 0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1bkg s THR 226 Cb 0.02 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 69.10 1bkg s THR 226 CO 0.11 0.59 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.76 1bkg s LEU 227 N -1.09 2.78 -0.22 4.42 1.43 0.07 -4.07 118.68 121.99 1bkg s LEU 227 Ca 0.18 -1.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 1bkg s LEU 227 Cb -0.13 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1bkg s LEU 227 CO 0.07 -0.15 0.32 -0.89 0.23 0.00 0.00 176.35 175.93 1bkg s THR 228 N 1.26 5.25 -0.09 5.49 2.01 -0.47 -0.90 115.64 128.19 1bkg s THR 228 Ca -0.04 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.50 1bkg s THR 228 Cb -0.18 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1bkg s THR 228 CO -0.07 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 1bkg s VAL 229 N 1.31 3.50 0.08 3.82 1.01 0.43 -1.61 120.40 128.94 1bkg s VAL 229 Ca 0.15 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1bkg s VAL 229 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1bkg s VAL 229 CO 0.07 0.57 0.12 -3.20 0.00 0.00 0.00 175.10 172.66 1bkg n ASN 230 N 2.62 -0.33 -3.59 3.32 2.85 0.36 -0.58 115.26 119.91 1bkg n ASN 230 Ca -0.18 -1.38 0.01 0.00 -0.11 0.00 0.00 54.58 52.93 1bkg n ASN 230 Cb 0.53 0.60 -0.01 0.00 1.24 0.00 0.00 39.78 42.14 1bkg n ASN 230 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1bkg s GLY 231 N -1.45 -0.41 0.09 8.20 0.00 -1.26 -1.74 107.32 110.75 1bkg s GLY 231 Ca 0.05 1.13 0.26 0.00 0.00 0.00 0.00 44.72 46.16 1bkg s GLY 231 CO 0.04 0.28 1.53 0.00 0.00 0.00 0.00 173.10 174.95 1bkg n ALA 232 N -0.37 2.86 -0.16 3.20 0.00 -1.02 -4.51 120.51 120.51 1bkg n ALA 232 Ca -0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1bkg n ALA 232 Cb 0.62 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1bkg n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkg h ALA 233 N 2.71 -0.50 0.16 0.00 0.00 -1.76 -2.47 119.26 117.40 1bkg h ALA 233 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 1bkg h ALA 233 Cb 0.64 0.99 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1bkg h ALA 233 CO 0.00 -0.91 -1.59 0.87 0.00 0.00 0.00 179.25 177.62 1bkg h LYS 234 N -0.31 0.34 -0.29 0.00 1.79 -1.80 -2.30 116.57 114.00 1bkg h LYS 234 Ca 0.13 -0.58 0.02 0.00 -2.18 0.00 0.00 60.65 58.05 1bkg h LYS 234 Cb 0.58 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1bkg h LYS 234 CO -0.63 1.28 0.14 0.00 -1.08 0.00 0.00 179.45 179.16 1bkg h ALA 235 N 0.05 0.35 -0.35 3.86 0.00 -1.78 -3.26 119.26 118.14 1bkg h ALA 235 Ca -0.32 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bkg h ALA 235 Cb 1.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1bkg h ALA 235 CO 0.13 -0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.33 1bkg n PHE 236 N -4.96 0.75 -3.67 0.00 3.72 -0.93 -4.70 117.46 107.67 1bkg n PHE 236 Ca -0.01 -0.65 -0.22 0.00 -0.05 0.00 0.00 57.45 56.51 1bkg n PHE 236 Cb 0.07 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 38.50 1bkg n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkg n ALA 237 N 0.19 -1.78 -2.07 4.37 0.00 -1.12 -4.26 120.51 115.84 1bkg n ALA 237 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 1bkg n ALA 237 Cb 0.65 -3.01 0.02 0.00 0.00 0.00 0.00 19.45 17.11 1bkg n ALA 237 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bkg n MET 238 N -4.42 3.44 -0.18 0.00 2.81 -0.88 -3.70 117.12 114.19 1bkg n MET 238 Ca -0.19 -4.15 -0.08 0.00 -1.81 0.00 0.00 57.70 51.48 1bkg n MET 238 Cb 0.63 -2.27 0.02 0.00 -0.71 0.00 0.00 33.22 30.88 1bkg n MET 238 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1bkg h THR 239 N 2.16 1.19 0.00 2.03 1.35 -1.86 -2.53 112.91 115.25 1bkg h THR 239 Ca 0.38 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1bkg h THR 239 Cb 1.23 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1bkg h THR 239 CO 0.90 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.98 1bkg n GLY 240 N -0.96 -1.09 0.16 5.82 0.00 -1.26 -3.32 105.19 104.53 1bkg n GLY 240 Ca 0.02 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1bkg n GLY 240 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1bkg h TRP 241 N 0.00 0.00 -5.77 1.61 4.06 -1.83 -3.49 115.95 110.53 1bkg h TRP 241 Ca 0.00 0.00 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 1bkg h TRP 241 Cb 0.20 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 28.49 1bkg h TRP 241 CO 0.00 0.00 -0.78 0.54 -3.56 0.00 0.00 178.44 174.64 1bkg n ARG 242 N -2.73 -1.72 -3.84 0.49 5.12 -1.21 -4.88 116.66 107.89 1bkg n ARG 242 Ca 0.04 0.80 -0.26 0.00 -1.93 0.00 0.00 57.85 56.50 1bkg n ARG 242 Cb 0.50 -5.07 -0.17 0.00 -1.16 0.00 0.00 32.46 26.56 1bkg n ARG 242 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1bkg s ILE 243 N -3.35 0.76 0.31 0.55 -1.09 -1.26 -2.98 121.20 114.15 1bkg s ILE 243 Ca 0.39 -0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.59 1bkg s ILE 243 Cb -0.09 -0.93 -0.06 0.00 -1.58 0.00 0.00 42.46 39.80 1bkg s ILE 243 CO 0.79 0.20 0.01 -0.83 -1.23 0.00 0.00 174.94 173.89 1bkg s GLY 244 N 1.80 1.99 0.09 6.18 0.00 0.15 -2.44 107.32 115.08 1bkg s GLY 244 Ca 0.03 -2.01 -0.14 0.00 0.00 0.00 0.00 44.72 42.61 1bkg s GLY 244 CO -0.07 -1.83 0.33 -2.52 0.00 0.00 0.00 173.10 169.00 1bkg s TYR 245 N -3.18 -0.10 0.06 1.90 -0.85 -0.71 -0.34 117.35 114.13 1bkg s TYR 245 Ca 0.34 -0.16 -0.19 0.00 -0.52 0.00 0.00 57.07 56.53 1bkg s TYR 245 Cb 0.07 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.59 1bkg s TYR 245 CO 0.14 -0.60 0.45 0.00 -1.52 0.00 0.00 175.55 174.02 1bkg s ALA 246 N -3.33 -1.11 0.06 9.51 0.00 -0.70 -0.49 121.76 125.70 1bkg s ALA 246 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 1bkg s ALA 246 Cb 0.02 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1bkg s ALA 246 CO -0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 175.76 175.13 1bkg n GLY 248 N 0.23 -0.61 3.65 0.00 0.00 -1.02 -1.37 105.19 106.07 1bkg n GLY 248 Ca -0.15 -1.04 -0.50 0.00 0.00 0.00 0.00 46.02 44.34 1bkg n GLY 248 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bkg n PRO 249 N 0.00 1.70 -0.30 1.61 -0.02 -1.26 -4.77 135.00 131.96 1bkg n PRO 249 Ca 0.00 0.62 0.23 0.00 -2.02 0.00 0.00 63.50 62.32 1bkg n PRO 249 Cb 0.00 -2.34 0.53 0.00 -0.02 0.00 0.00 33.50 31.66 1bkg n PRO 249 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1bkg h LYS 250 N 6.01 0.36 -0.29 -0.52 3.64 -1.91 -1.36 116.57 122.51 1bkg h LYS 250 Ca -0.47 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.73 1bkg h LYS 250 Cb 1.29 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1bkg h LYS 250 CO 0.86 0.24 -0.48 0.93 -2.27 0.00 0.00 179.45 178.73 1bkg h GLU 251 N 0.37 0.78 -0.23 1.90 4.39 -1.95 -0.83 114.58 119.01 1bkg h GLU 251 Ca 0.56 -0.46 -0.19 0.00 0.34 0.00 0.00 59.36 59.61 1bkg h GLU 251 Cb 1.47 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1bkg h GLU 251 CO -0.24 1.09 -0.61 0.28 -1.16 0.00 0.00 179.01 178.36 1bkg h VAL 252 N 0.62 1.29 -0.53 3.13 2.07 -1.65 -2.01 116.25 119.15 1bkg h VAL 252 Ca 0.03 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1bkg h VAL 252 Cb 1.06 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1bkg h VAL 252 CO 0.10 0.58 0.25 0.40 0.02 0.00 0.00 177.57 178.93 1bkg h ILE 253 N 0.59 1.20 -0.05 4.57 1.08 -1.23 -0.93 117.51 122.74 1bkg h ILE 253 Ca -0.00 -0.57 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 1bkg h ILE 253 Cb 1.22 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1bkg h ILE 253 CO 0.13 0.23 -0.24 0.50 -0.69 0.00 0.00 178.15 178.08 1bkg h LYS 254 N 0.71 0.09 -0.18 2.37 3.64 -1.10 -1.73 116.57 120.36 1bkg h LYS 254 Ca 0.18 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.34 1bkg h LYS 254 Cb 0.13 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1bkg h LYS 254 CO -0.02 0.32 -0.68 0.00 -2.27 0.00 0.00 179.45 176.80 1bkg h ALA 255 N 1.68 0.47 -0.73 5.00 0.00 -0.74 -3.01 119.26 121.92 1bkg h ALA 255 Ca 0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1bkg h ALA 255 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1bkg h ALA 255 CO 0.03 0.70 0.22 0.52 0.00 0.00 0.00 179.25 180.72 1bkg h MET 256 N 0.51 1.14 0.00 0.00 2.86 -0.54 -2.20 114.93 116.70 1bkg h MET 256 Ca -0.02 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1bkg h MET 256 Cb 1.28 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1bkg h MET 256 CO 0.14 0.98 -0.01 0.00 1.06 0.00 0.00 176.91 179.07 1bkg h ALA 257 N 1.14 1.00 0.05 6.32 0.00 -1.34 -2.32 119.26 124.11 1bkg h ALA 257 Ca 0.24 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 1bkg h ALA 257 Cb 0.32 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.13 1bkg h ALA 257 CO -0.01 0.01 -1.13 1.03 0.00 0.00 0.00 179.25 179.16 1bkg h SER 258 N 0.00 0.90 -0.62 0.00 0.87 -1.27 -1.84 113.55 111.59 1bkg h SER 258 Ca -0.00 -0.77 -0.08 0.00 -1.23 0.00 0.00 61.79 59.70 1bkg h SER 258 Cb 0.52 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1bkg h SER 258 CO 0.00 1.57 0.07 0.58 -0.53 0.00 0.00 176.83 178.53 1bkg h VAL 259 N 0.35 1.26 -0.51 2.23 2.07 -1.23 -2.72 116.25 117.71 1bkg h VAL 259 Ca -0.16 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1bkg h VAL 259 Cb 1.79 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1bkg h VAL 259 CO 0.22 0.39 0.31 0.28 0.02 0.00 0.00 177.57 178.79 1bkg h SER 260 N 0.99 0.60 0.20 0.57 0.02 -1.38 -2.15 113.55 112.41 1bkg h SER 260 Ca 0.19 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1bkg h SER 260 Cb 0.47 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1bkg h SER 260 CO 0.02 0.48 -0.08 0.77 -1.14 0.00 0.00 176.83 176.88 1bkg h SER 261 N 0.68 0.00 -0.65 3.07 4.64 -1.02 0.70 113.55 120.96 1bkg h SER 261 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1bkg h SER 261 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1bkg h SER 261 CO -0.03 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1bkg n GLN 262 N -3.78 2.76 0.05 4.77 1.13 -0.95 -4.33 117.38 117.02 1bkg n GLN 262 Ca -0.02 -2.54 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 1bkg n GLN 262 Cb 0.17 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1bkg n GLN 262 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1bkg n SER 263 N 1.42 0.31 -0.30 1.08 3.41 -0.79 -4.97 113.62 113.79 1bkg n SER 263 Ca 0.22 0.15 0.04 0.00 -0.26 0.00 0.00 58.87 59.02 1bkg n SER 263 Cb 0.58 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1bkg n SER 263 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bkg n THR 264 N -3.03 0.12 0.00 6.66 -2.24 -0.52 -5.02 114.28 110.25 1bkg n THR 264 Ca 0.00 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1bkg n THR 264 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1bkg n THR 264 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bkg n THR 265 N 0.37 0.00 -3.49 4.28 -1.04 0.13 -4.67 114.28 109.86 1bkg n THR 265 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1bkg n THR 265 Cb 0.20 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 1bkg n THR 265 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1bkg s SER 266 N -0.74 -0.42 1.02 8.00 0.15 -1.26 -3.72 113.70 116.72 1bkg s SER 266 Ca 0.00 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.57 1bkg s SER 266 Cb 0.00 0.44 0.20 0.00 -1.71 0.00 0.00 66.02 64.95 1bkg s SER 266 CO 0.00 -0.69 1.09 -2.84 1.20 0.00 0.00 173.24 172.00 1bkg s PRO 267 N -3.11 0.27 -0.29 5.44 0.02 -1.26 -4.90 135.00 131.17 1bkg s PRO 267 Ca 0.03 0.50 -0.41 0.00 0.02 0.00 0.00 61.00 61.14 1bkg s PRO 267 Cb -0.01 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.63 1bkg s PRO 267 CO -0.09 -2.84 1.70 -3.47 -0.33 0.00 0.00 177.00 171.98 1bkg n ASP 268 N -4.24 2.17 -0.37 2.53 -0.08 -1.26 -4.71 116.55 110.58 1bkg n ASP 268 Ca 0.05 1.09 -0.02 0.00 -1.51 0.00 0.00 54.79 54.40 1bkg n ASP 268 Cb 0.57 -1.10 0.10 0.00 2.34 0.00 0.00 41.12 43.03 1bkg n ASP 268 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1bkg h THR 269 N 5.09 1.25 -0.38 5.18 2.02 -1.87 -1.54 112.91 122.66 1bkg h THR 269 Ca -0.46 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1bkg h THR 269 Cb 1.33 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1bkg h THR 269 CO 0.95 0.25 -0.01 0.40 0.37 0.00 0.00 175.52 177.48 1bkg h ILE 270 N 1.33 1.26 0.00 3.11 5.03 -1.91 -2.41 117.51 123.92 1bkg h ILE 270 Ca 0.36 -1.01 -0.04 0.00 -0.12 0.00 0.00 64.86 64.05 1bkg h ILE 270 Cb -0.14 1.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 1bkg h ILE 270 CO -0.08 0.34 -0.18 0.00 -0.68 0.00 0.00 178.15 177.55 1bkg h ALA 271 N 0.87 1.62 -0.01 1.87 0.00 -1.81 -1.35 119.26 120.44 1bkg h ALA 271 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bkg h ALA 271 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bkg h ALA 271 CO 0.02 0.22 -0.00 1.96 0.00 0.00 0.00 179.25 181.45 1bkg h GLN 272 N 0.00 0.02 -0.71 0.00 4.20 -0.86 -1.68 115.11 116.08 1bkg h GLN 272 Ca -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1bkg h GLN 272 Cb 0.33 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1bkg h GLN 272 CO 0.02 0.39 0.33 -1.49 -0.67 0.00 0.00 178.83 177.41 1bkg h TRP 273 N -0.34 1.02 -0.55 2.96 4.06 -1.19 -1.33 115.95 120.58 1bkg h TRP 273 Ca 0.00 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 60.94 1bkg h TRP 273 Cb 0.38 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 1bkg h TRP 273 CO 0.05 0.75 0.32 0.00 -3.56 0.00 0.00 178.44 176.00 1bkg h ALA 274 N 1.35 0.71 -0.29 1.49 0.00 -1.14 -2.21 119.26 119.16 1bkg h ALA 274 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1bkg h ALA 274 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1bkg h ALA 274 CO -0.03 0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.22 1bkg h THR 275 N 0.62 1.24 -0.93 0.00 2.02 -0.72 -2.09 112.91 113.06 1bkg h THR 275 Ca 0.23 -1.12 0.09 0.00 0.77 0.00 0.00 66.41 66.38 1bkg h THR 275 Cb 0.06 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 1bkg h THR 275 CO -0.12 0.36 0.60 0.25 0.37 0.00 0.00 175.52 176.98 1bkg h LEU 276 N 0.46 0.88 -0.33 2.58 6.46 -0.64 -1.82 115.31 122.90 1bkg h LEU 276 Ca 0.08 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 1bkg h LEU 276 Cb 0.56 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1bkg h LEU 276 CO 0.04 0.53 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.15 1bkg h GLU 277 N 0.98 0.69 -0.55 1.25 4.57 -1.11 -1.49 114.58 118.91 1bkg h GLU 277 Ca 0.42 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1bkg h GLU 277 Cb 0.32 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1bkg h GLU 277 CO -0.18 0.90 0.37 0.00 -1.18 0.00 0.00 179.01 178.92 1bkg h ALA 278 N 0.77 1.69 0.19 2.92 0.00 -1.08 -0.79 119.26 122.97 1bkg h ALA 278 Ca 0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 1bkg h ALA 278 Cb 0.69 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bkg h ALA 278 CO 0.05 0.26 -1.56 -0.07 0.00 0.00 0.00 179.25 177.92 1bkg h LEU 279 N 0.67 0.63 0.04 0.00 3.38 -1.21 -3.39 115.31 115.42 1bkg h LEU 279 Ca 0.22 -0.79 -0.26 0.00 0.09 0.00 0.00 57.88 57.13 1bkg h LEU 279 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1bkg h LEU 279 CO -0.06 1.64 -1.37 0.71 0.09 0.00 0.00 178.44 179.46 1bkg h THR 280 N 0.11 1.29 -1.20 0.22 1.35 -1.16 -3.39 112.91 110.13 1bkg h THR 280 Ca -0.27 -3.02 -0.72 0.00 -0.55 0.00 0.00 66.41 61.85 1bkg h THR 280 Cb 2.10 2.70 -0.12 0.00 -1.73 0.00 0.00 68.15 71.10 1bkg h THR 280 CO 0.21 0.79 2.08 -3.20 -0.25 0.00 0.00 175.52 175.15 1bkg n ASN 281 N -3.30 4.87 -0.26 5.36 2.85 -0.31 -4.80 115.26 119.67 1bkg n ASN 281 Ca -0.10 -2.96 -0.03 0.00 -0.11 0.00 0.00 54.58 51.38 1bkg n ASN 281 Cb 1.00 -1.63 0.14 0.00 1.24 0.00 0.00 39.78 40.53 1bkg n ASN 281 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1bkg h GLN 282 N 6.84 1.10 -0.10 1.20 4.20 -1.84 -2.14 115.11 124.36 1bkg h GLN 282 Ca 0.42 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1bkg h GLN 282 Cb 0.79 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1bkg h GLN 282 CO 1.50 0.84 0.05 1.49 -0.67 0.00 0.00 178.83 182.04 1bkg h GLU 283 N 1.09 0.15 -0.35 1.46 4.81 -1.97 -0.51 114.58 119.25 1bkg h GLU 283 Ca 0.27 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1bkg h GLU 283 Cb 0.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1bkg h GLU 283 CO -0.03 0.24 -0.05 0.00 -0.73 0.00 0.00 179.01 178.44 1bkg h ALA 284 N 0.90 0.48 -0.24 2.92 0.00 -1.96 -2.58 119.26 118.78 1bkg h ALA 284 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1bkg h ALA 284 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bkg h ALA 284 CO -0.00 0.29 -0.39 0.77 0.00 0.00 0.00 179.25 179.91 1bkg h SER 285 N 0.45 0.77 -0.59 0.00 0.02 -1.39 -2.67 113.55 110.15 1bkg h SER 285 Ca 0.09 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1bkg h SER 285 Cb 0.53 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1bkg h SER 285 CO 0.03 1.14 0.39 -0.09 -1.14 0.00 0.00 176.83 177.16 1bkg h ARG 286 N 0.42 0.53 -0.35 3.45 2.43 -1.10 0.42 114.38 120.18 1bkg h ARG 286 Ca 0.02 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1bkg h ARG 286 Cb 0.99 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1bkg h ARG 286 CO 0.09 0.35 -0.06 0.00 -1.51 0.00 0.00 179.97 178.84 1bkg h ALA 287 N 1.68 0.48 0.04 2.80 0.00 -1.29 -1.55 119.26 121.41 1bkg h ALA 287 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bkg h ALA 287 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bkg h ALA 287 CO -0.07 0.30 -0.02 0.35 0.00 0.00 0.00 179.25 179.81 1bkg h PHE 288 N 0.45 -0.05 -0.80 0.00 3.57 -0.85 -2.42 116.94 116.83 1bkg h PHE 288 Ca 0.09 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.69 1bkg h PHE 288 Cb 0.56 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 1bkg h PHE 288 CO 0.05 0.22 0.43 0.28 -2.23 0.00 0.00 178.31 177.06 1bkg h VAL 289 N -0.31 0.86 -0.49 1.41 2.07 -0.93 -0.34 116.25 118.53 1bkg h VAL 289 Ca -0.01 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1bkg h VAL 289 Cb 0.28 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1bkg h VAL 289 CO 0.01 0.13 0.16 -0.33 0.02 0.00 0.00 177.57 177.56 1bkg h GLU 290 N 0.71 0.75 -0.54 1.57 4.39 -1.23 -1.63 114.58 118.60 1bkg h GLU 290 Ca 0.40 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1bkg h GLU 290 Cb 0.42 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1bkg h GLU 290 CO -0.28 0.70 0.10 1.98 -1.16 0.00 0.00 179.01 180.36 1bkg h MET 291 N 0.65 0.89 -0.22 2.33 4.05 -0.79 -2.83 114.93 119.00 1bkg h MET 291 Ca 0.16 -0.23 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 1bkg h MET 291 Cb 0.26 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1bkg h MET 291 CO -0.01 0.85 -0.18 0.00 0.23 0.00 0.00 176.91 177.81 1bkg h ALA 292 N 0.99 0.31 -0.29 0.39 0.00 -1.01 -3.01 119.26 116.64 1bkg h ALA 292 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1bkg h ALA 292 Cb 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1bkg h ALA 292 CO 0.01 0.23 -0.03 -0.09 0.00 0.00 0.00 179.25 179.37 1bkg h ARG 293 N 0.19 0.05 0.00 0.00 2.43 -1.30 -0.60 114.38 115.14 1bkg h ARG 293 Ca 0.04 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1bkg h ARG 293 Cb 0.71 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1bkg h ARG 293 CO 0.05 0.03 -0.20 0.93 -1.51 0.00 0.00 179.97 179.26 1bkg h GLU 294 N 0.05 0.00 -0.31 0.20 4.39 -1.56 0.72 114.58 118.06 1bkg h GLU 294 Ca 0.14 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 1bkg h GLU 294 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1bkg h GLU 294 CO -0.26 0.20 -0.47 0.00 -1.16 0.00 0.00 179.01 177.33 1bkg h ALA 295 N 1.80 0.47 -0.28 3.43 0.00 -1.16 -1.56 119.26 121.95 1bkg h ALA 295 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1bkg h ALA 295 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1bkg h ALA 295 CO 0.03 0.64 -0.11 1.88 0.00 0.00 0.00 179.25 181.68 1bkg h TYR 296 N 0.65 0.66 -0.49 0.00 0.05 -0.67 -1.97 116.97 115.20 1bkg h TYR 296 Ca 0.03 -0.15 0.06 0.00 0.05 0.00 0.00 58.73 58.71 1bkg h TYR 296 Cb 1.07 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 1bkg h TYR 296 CO 0.07 0.80 0.19 -0.09 -1.05 0.00 0.00 178.16 178.09 1bkg h ARG 297 N 0.32 0.37 -0.23 4.88 2.43 -0.83 0.39 114.38 121.72 1bkg h ARG 297 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1bkg h ARG 297 Cb 0.61 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1bkg h ARG 297 CO 0.04 0.25 0.03 -0.09 -1.51 0.00 0.00 179.97 178.69 1bkg h ARG 298 N 0.39 0.33 0.11 0.20 2.43 -1.16 -1.71 114.38 114.96 1bkg h ARG 298 Ca 0.23 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 59.08 1bkg h ARG 298 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1bkg h ARG 298 CO -0.21 0.33 -1.21 0.00 -1.51 0.00 0.00 179.97 177.37 1bkg h ARG 299 N 0.33 0.24 0.92 0.20 3.08 -0.36 -2.77 114.38 116.02 1bkg h ARG 299 Ca 0.08 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1bkg h ARG 299 Cb 0.17 0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1bkg h ARG 299 CO 0.00 1.20 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.56 1bkg h ARG 300 N 0.07 -1.19 -0.97 0.04 2.43 0.34 -1.28 114.38 113.82 1bkg h ARG 300 Ca -0.12 0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.28 1bkg h ARG 300 Cb 1.94 0.27 -0.09 0.00 -0.42 0.00 0.00 29.97 31.67 1bkg h ARG 300 CO 0.20 -0.79 0.58 -0.44 -1.51 0.00 0.00 179.97 178.00 1bkg h ASP 301 N -1.24 0.79 0.11 -3.80 3.32 -1.44 0.20 116.42 114.36 1bkg h ASP 301 Ca -0.13 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1bkg h ASP 301 Cb 0.95 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1bkg h ASP 301 CO 0.21 0.36 -0.05 0.25 -1.72 0.00 0.00 179.24 178.28 1bkg h LEU 302 N 0.83 -0.12 0.32 1.55 6.46 -1.31 -1.69 115.31 121.35 1bkg h LEU 302 Ca 0.52 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 58.20 1bkg h LEU 302 Cb 0.67 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1bkg h LEU 302 CO -0.33 -0.02 -0.15 0.25 -0.62 0.00 0.00 178.44 177.57 1bkg h LEU 303 N -0.22 -0.37 -0.90 2.25 6.46 -0.09 -2.70 115.31 119.75 1bkg h LEU 303 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1bkg h LEU 303 Cb 0.18 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 1bkg h LEU 303 CO 0.02 -0.25 0.58 -0.07 -0.62 0.00 0.00 178.44 178.10 1bkg h LEU 304 N -0.45 0.93 -1.04 2.25 3.38 -0.99 -1.03 115.31 118.36 1bkg h LEU 304 Ca -0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1bkg h LEU 304 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1bkg h LEU 304 CO 0.07 0.61 0.15 -0.33 0.09 0.00 0.00 178.44 179.03 1bkg h GLU 305 N 1.07 0.84 -0.32 1.13 5.08 -1.24 -1.14 114.58 120.00 1bkg h GLU 305 Ca 0.38 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1bkg h GLU 305 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1bkg h GLU 305 CO -0.15 0.75 -0.36 0.78 -1.00 0.00 0.00 179.01 179.02 1bkg h GLY 306 N 0.97 0.81 0.73 -3.84 0.00 -0.98 -1.63 103.07 99.14 1bkg h GLY 306 Ca 0.18 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1bkg h GLY 306 CO -0.00 0.72 -0.05 1.41 0.00 0.00 0.00 176.54 178.62 1bkg h LEU 307 N 0.62 0.26 -0.75 3.11 3.38 -0.91 -2.41 115.31 118.60 1bkg h LEU 307 Ca 0.06 -0.39 0.13 0.00 0.09 0.00 0.00 57.88 57.76 1bkg h LEU 307 Cb 0.90 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 1bkg h LEU 307 CO 0.08 0.59 0.33 0.74 0.09 0.00 0.00 178.44 180.28 1bkg h THR 308 N -0.08 0.73 0.00 0.22 2.02 -1.12 0.86 112.91 115.53 1bkg h THR 308 Ca 0.03 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1bkg h THR 308 Cb 0.49 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1bkg h THR 308 CO 0.02 0.09 -0.34 0.00 0.37 0.00 0.00 175.52 175.66 1bkg h ALA 309 N 1.51 1.28 -0.00 6.16 0.00 -1.21 -2.47 119.26 124.52 1bkg h ALA 309 Ca 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bkg h ALA 309 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bkg h ALA 309 CO -0.35 0.42 -0.26 1.28 0.00 0.00 0.00 179.25 180.34 1bkg n LEU 310 N -3.90 0.76 0.00 0.00 4.77 0.13 -4.94 117.00 113.82 1bkg n LEU 310 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1bkg n LEU 310 Cb 0.41 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1bkg n LEU 310 CO 0.37 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1bkg n GLY 311 N 1.36 0.41 3.71 -0.72 0.00 -0.24 -5.04 105.19 104.68 1bkg n GLY 311 Ca 0.11 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1bkg n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bkg s LEU 312 N 0.00 4.16 0.53 0.99 1.43 -0.77 -4.99 118.68 120.03 1bkg s LEU 312 Ca 0.00 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 1bkg s LEU 312 Cb 0.00 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1bkg s LEU 312 CO 0.00 0.17 0.96 -0.54 0.23 0.00 0.00 176.35 177.16 1bkg s LYS 313 N 0.44 3.81 -0.30 1.70 -0.14 -1.26 -4.12 119.74 119.87 1bkg s LYS 313 Ca 0.08 0.79 -0.17 0.00 -1.36 0.00 0.00 55.97 55.30 1bkg s LYS 313 Cb -0.11 -2.17 0.19 0.00 -1.68 0.00 0.00 37.83 34.06 1bkg s LYS 313 CO -0.01 -0.32 1.20 0.00 -0.76 0.00 0.00 175.35 175.46 1bkg s ALA 314 N -2.75 -2.54 0.09 5.17 0.00 -1.26 -1.87 121.76 118.60 1bkg s ALA 314 Ca 0.56 2.02 -0.31 0.00 0.00 0.00 0.00 51.96 54.23 1bkg s ALA 314 Cb -0.10 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.04 1bkg s ALA 314 CO 0.38 -0.31 1.33 0.08 0.00 0.00 0.00 175.76 177.24 1bkg s VAL 315 N 1.04 3.56 0.01 0.00 1.01 -1.26 -4.94 120.40 119.83 1bkg s VAL 315 Ca -0.07 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1bkg s VAL 315 Cb -0.03 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1bkg s VAL 315 CO -0.11 0.08 1.80 -0.60 0.00 0.00 0.00 175.10 176.27 1bkg s ARG 316 N 1.12 4.16 0.34 2.72 3.52 -1.26 -4.72 118.95 124.83 1bkg s ARG 316 Ca 0.63 2.42 -0.25 0.00 -0.13 0.00 0.00 55.73 58.40 1bkg s ARG 316 Cb -0.34 -3.99 -0.10 0.00 -1.56 0.00 0.00 34.95 28.96 1bkg s ARG 316 CO 0.30 -0.88 0.93 -1.25 -0.81 0.00 0.00 175.30 173.59 1bkg s PRO 317 N 3.97 4.49 0.00 5.12 0.04 -1.26 -4.88 135.00 142.48 1bkg s PRO 317 Ca 0.80 1.26 0.06 0.00 0.04 0.00 0.00 61.00 63.16 1bkg s PRO 317 Cb -0.39 -2.68 0.06 0.00 0.04 0.00 0.00 34.50 31.53 1bkg s PRO 317 CO 0.36 0.23 0.73 0.43 0.04 0.00 0.00 177.00 178.78 1bkg n SER 318 N 0.33 1.58 -3.11 6.66 7.64 -0.39 -4.94 113.62 121.39 1bkg n SER 318 Ca 0.03 -1.31 -0.07 0.00 1.01 0.00 0.00 58.87 58.53 1bkg n SER 318 Cb 0.51 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1bkg n SER 318 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bkg s GLY 319 N -0.54 0.26 0.00 0.23 0.00 -0.68 -0.74 107.32 105.86 1bkg s GLY 319 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1bkg s GLY 319 CO 0.08 0.50 0.00 0.00 0.00 0.00 0.00 173.10 173.68 1bkg n ALA 320 N -0.58 0.00 -2.60 3.20 0.00 0.11 -4.49 120.51 116.16 1bkg n ALA 320 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1bkg n ALA 320 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 1bkg n ALA 320 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bkg n PHE 321 N -1.03 1.80 -4.29 0.00 1.16 -1.26 -4.89 117.46 108.94 1bkg n PHE 321 Ca 0.00 -2.66 -0.16 0.00 -1.87 0.00 0.00 57.45 52.76 1bkg n PHE 321 Cb 0.00 -0.28 -0.10 0.00 -1.61 0.00 0.00 39.48 37.49 1bkg n PHE 321 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1bkg s TYR 322 N -3.40 1.44 -0.08 2.97 2.02 -1.26 -2.13 117.35 116.91 1bkg s TYR 322 Ca 0.34 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1bkg s TYR 322 Cb 0.41 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1bkg s TYR 322 CO -0.03 0.19 0.18 0.08 -1.57 0.00 0.00 175.55 174.41 1bkg s VAL 323 N -3.15 -0.04 -0.36 0.71 1.01 -0.18 -4.36 120.40 114.03 1bkg s VAL 323 Ca 0.19 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 1bkg s VAL 323 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 1bkg s VAL 323 CO 0.03 0.06 0.48 -0.76 0.00 0.00 0.00 175.10 174.91 1bkg s LEU 324 N 1.02 4.42 -0.20 3.92 1.43 -1.26 -0.64 118.68 127.36 1bkg s LEU 324 Ca -0.08 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1bkg s LEU 324 Cb -0.09 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1bkg s LEU 324 CO -0.06 -0.48 0.10 -0.32 0.23 0.00 0.00 176.35 175.83 1bkg s MET 325 N 2.31 4.02 -0.21 1.70 -2.45 0.13 -4.00 119.30 120.80 1bkg s MET 325 Ca 0.17 -0.31 -0.29 0.00 -1.25 0.00 0.00 55.69 54.01 1bkg s MET 325 Cb -0.16 -3.34 -0.02 0.00 1.25 0.00 0.00 34.83 32.56 1bkg s MET 325 CO 0.13 0.19 1.54 0.34 1.05 0.00 0.00 175.02 178.28 1bkg s ASP 326 N 0.62 6.51 -0.07 1.11 -1.08 -0.78 -1.46 116.67 121.51 1bkg s ASP 326 Ca 0.05 1.64 0.12 0.00 -0.52 0.00 0.00 52.55 53.84 1bkg s ASP 326 Cb -0.13 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.28 1bkg s ASP 326 CO 0.01 -1.15 1.33 0.35 0.52 0.00 0.00 175.17 176.24 1bkg n THR 327 N 6.17 1.18 -0.23 1.71 -2.24 -0.71 -4.34 114.28 115.82 1bkg n THR 327 Ca 0.18 -0.77 0.02 0.00 -2.27 0.00 0.00 64.05 61.21 1bkg n THR 327 Cb 0.45 0.01 0.14 0.00 -2.10 0.00 0.00 70.33 68.83 1bkg n THR 327 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bkg h SER 328 N 2.72 0.29 0.10 3.42 0.02 -1.75 -1.19 113.55 117.16 1bkg h SER 328 Ca 0.00 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1bkg h SER 328 Cb 1.02 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1bkg h SER 328 CO 0.15 0.15 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.29 1bkg h PRO 329 N 0.46 0.00 0.12 3.45 0.11 -1.94 -3.17 132.00 131.03 1bkg h PRO 329 Ca 0.36 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.11 1bkg h PRO 329 Cb 0.47 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1bkg h PRO 329 CO -0.34 0.05 -1.97 -0.89 -0.21 0.00 0.00 178.00 174.64 1bkg n ILE 330 N -3.95 1.78 -3.82 4.15 5.41 -0.54 -5.00 119.36 117.39 1bkg n ILE 330 Ca -0.03 -0.67 -0.06 0.00 1.00 0.00 0.00 62.75 63.00 1bkg n ILE 330 Cb 0.13 -1.69 -0.01 0.00 -0.71 0.00 0.00 39.64 37.37 1bkg n ILE 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bkg s ALA 331 N -2.56 -1.33 -0.50 -1.39 0.00 -0.65 -4.89 121.76 110.44 1bkg s ALA 331 Ca -0.21 -0.23 0.26 0.00 0.00 0.00 0.00 51.96 51.78 1bkg s ALA 331 Cb 0.07 0.74 0.88 0.00 0.00 0.00 0.00 23.12 24.81 1bkg s ALA 331 CO 0.78 -1.04 1.76 -1.00 0.00 0.00 0.00 175.76 176.26 1bkg h PRO 332 N 2.00 0.00 -3.09 0.00 0.13 -1.84 -3.35 132.00 125.85 1bkg h PRO 332 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 1bkg h PRO 332 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1bkg h PRO 332 CO 0.28 0.00 -0.10 0.16 -0.23 0.00 0.00 178.00 178.10 1bkg s ASP 333 N -4.79 -0.27 0.45 1.44 -4.77 -1.26 -4.94 116.67 102.52 1bkg s ASP 333 Ca 0.07 -0.06 0.16 0.00 -3.30 0.00 0.00 52.55 49.42 1bkg s ASP 333 Cb 0.10 0.43 1.08 0.00 -1.09 0.00 0.00 42.92 43.44 1bkg s ASP 333 CO 0.53 -0.69 1.97 -0.33 0.70 0.00 0.00 175.17 177.34 1bkg h GLU 334 N 2.91 0.35 -0.05 2.11 3.07 -1.86 0.12 114.58 121.23 1bkg h GLU 334 Ca -0.32 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 1bkg h GLU 334 Cb 1.21 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1bkg h GLU 334 CO 0.44 0.23 -0.08 0.28 -1.40 0.00 0.00 179.01 178.48 1bkg h VAL 335 N 0.36 1.41 -0.42 3.13 2.07 -1.97 0.13 116.25 120.95 1bkg h VAL 335 Ca 0.29 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1bkg h VAL 335 Cb 0.66 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1bkg h VAL 335 CO -0.08 0.36 -0.11 -0.09 0.02 0.00 0.00 177.57 177.67 1bkg h ARG 336 N -0.34 0.75 -0.56 1.57 9.65 -1.89 -1.74 114.38 121.81 1bkg h ARG 336 Ca 0.00 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.57 1bkg h ARG 336 Cb 0.63 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1bkg h ARG 336 CO 0.02 0.84 0.09 0.00 2.80 0.00 0.00 179.97 183.71 1bkg h ALA 337 N 1.19 0.75 -0.01 2.80 0.00 -0.73 -1.42 119.26 121.84 1bkg h ALA 337 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1bkg h ALA 337 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bkg h ALA 337 CO 0.04 0.50 -0.43 0.00 0.00 0.00 0.00 179.25 179.36 1bkg h ALA 338 N 1.00 1.28 -0.28 0.00 0.00 -0.46 -2.28 119.26 118.51 1bkg h ALA 338 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1bkg h ALA 338 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bkg h ALA 338 CO 0.01 0.54 -0.04 0.93 0.00 0.00 0.00 179.25 180.69 1bkg h GLU 339 N 0.01 0.52 -0.64 0.00 5.08 -0.72 -1.82 114.58 117.02 1bkg h GLU 339 Ca -0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1bkg h GLU 339 Cb 0.76 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1bkg h GLU 339 CO 0.06 0.70 0.34 0.00 -1.00 0.00 0.00 179.01 179.11 1bkg h ARG 340 N 0.29 0.89 -0.70 2.33 3.08 -1.02 -1.81 114.38 117.45 1bkg h ARG 340 Ca 0.08 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1bkg h ARG 340 Cb 0.49 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1bkg h ARG 340 CO 0.02 0.69 0.25 -0.07 -1.07 0.00 0.00 179.97 179.79 1bkg h LEU 341 N 0.87 0.98 -0.97 3.04 3.38 -1.33 -0.68 115.31 120.61 1bkg h LEU 341 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1bkg h LEU 341 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1bkg h LEU 341 CO -0.03 0.90 0.49 0.25 0.09 0.00 0.00 178.44 180.14 1bkg h LEU 342 N 1.00 1.08 -1.80 1.67 6.46 -0.82 0.81 115.31 123.71 1bkg h LEU 342 Ca 0.23 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1bkg h LEU 342 Cb 0.25 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1bkg h LEU 342 CO -0.01 0.86 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.26 1bkg h GLU 343 N 1.22 0.00 -0.25 1.25 5.08 -0.50 -1.17 114.58 120.21 1bkg h GLU 343 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1bkg h GLU 343 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1bkg h GLU 343 CO -0.05 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1bkg n ALA 344 N -2.17 2.46 -0.44 3.43 0.00 -0.06 -4.95 120.51 118.79 1bkg n ALA 344 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1bkg n ALA 344 Cb 0.27 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1bkg n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bkg n GLY 345 N 1.36 0.73 2.90 0.00 0.00 -0.44 -4.86 105.19 104.88 1bkg n GLY 345 Ca 0.18 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1bkg n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkg s VAL 346 N -2.00 0.89 -0.24 1.61 1.01 0.08 -0.81 120.40 120.94 1bkg s VAL 346 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1bkg s VAL 346 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1bkg s VAL 346 CO 0.00 0.33 0.28 0.00 0.00 0.00 0.00 175.10 175.71 1bkg s ALA 347 N 1.47 3.58 0.34 5.51 0.00 -0.21 -2.18 121.76 130.27 1bkg s ALA 347 Ca -0.00 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1bkg s ALA 347 Cb -0.13 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 1bkg s ALA 347 CO -0.05 -0.36 0.01 0.14 0.00 0.00 0.00 175.76 175.50 1bkg s VAL 348 N 1.42 1.60 -0.32 0.00 -7.23 -1.26 -1.20 120.40 113.41 1bkg s VAL 348 Ca 0.12 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1bkg s VAL 348 Cb -0.15 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1bkg s VAL 348 CO 0.07 -0.08 0.19 -0.69 -0.31 0.00 0.00 175.10 174.28 1bkg s VAL 349 N -3.02 4.92 0.51 1.32 1.01 -1.14 -4.93 120.40 119.08 1bkg s VAL 349 Ca 0.34 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 1bkg s VAL 349 Cb 0.08 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1bkg s VAL 349 CO 0.16 0.07 1.38 -2.16 0.00 0.00 0.00 175.10 174.54 1bkg s PRO 350 N 1.67 3.33 0.00 2.72 0.04 -1.26 -0.67 135.00 140.83 1bkg s PRO 350 Ca 0.05 2.29 0.26 0.00 0.04 0.00 0.00 61.00 63.64 1bkg s PRO 350 Cb -0.17 -2.39 1.53 0.00 0.04 0.00 0.00 34.50 33.52 1bkg s PRO 350 CO 0.08 -1.06 1.92 0.41 0.04 0.00 0.00 177.00 178.40 1bkg n GLY 351 N 0.67 -0.88 0.33 0.56 0.00 -0.42 -4.37 105.19 101.08 1bkg n GLY 351 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1bkg n GLY 351 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bkg h THR 352 N 0.00 0.00 0.00 2.61 2.02 -1.80 0.72 112.91 116.46 1bkg h THR 352 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1bkg h THR 352 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1bkg h THR 352 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 1bkg n ASP 353 N -4.70 0.10 -0.31 4.18 8.00 -1.26 -0.81 116.55 121.76 1bkg n ASP 353 Ca -0.01 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1bkg n ASP 353 Cb 0.24 -0.55 0.28 0.00 -0.02 0.00 0.00 41.12 41.07 1bkg n ASP 353 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bkg n PHE 354 N -1.62 0.00 -1.29 1.24 3.72 -0.13 -4.49 117.46 114.89 1bkg n PHE 354 Ca 0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 1bkg n PHE 354 Cb 0.16 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1bkg n PHE 354 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bkg n ALA 355 N -0.50 -0.14 -2.93 4.37 0.00 0.01 -1.41 120.51 119.91 1bkg n ALA 355 Ca 0.11 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 1bkg n ALA 355 Cb 0.38 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1bkg n ALA 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bkg n ALA 356 N 1.05 5.35 -1.75 0.00 0.00 0.06 -4.64 120.51 120.57 1bkg n ALA 356 Ca -0.09 -4.76 -0.36 0.00 0.00 0.00 0.00 53.44 48.23 1bkg n ALA 356 Cb 0.29 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 17.59 1bkg n ALA 356 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1bkg s PHE 357 N -3.20 2.37 0.00 0.00 0.08 -1.26 -2.46 117.98 113.51 1bkg s PHE 357 Ca 0.34 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.88 1bkg s PHE 357 Cb 0.10 -3.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 1bkg s PHE 357 CO 0.04 -2.35 0.00 0.41 -0.10 0.00 0.00 175.22 173.22 1bkg n GLY 358 N 0.59 0.97 3.47 4.36 0.00 -1.26 -4.98 105.19 108.34 1bkg n GLY 358 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1bkg n GLY 358 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bkg s HIS 359 N -3.23 2.08 0.01 1.61 3.76 -1.03 -1.75 115.29 116.76 1bkg s HIS 359 Ca 0.00 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.20 1bkg s HIS 359 Cb 0.00 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.42 1bkg s HIS 359 CO 0.00 0.29 -0.05 0.54 -0.85 0.00 0.00 174.74 174.67 1bkg s VAL 360 N -2.98 0.34 -0.23 -0.90 0.11 -0.54 -1.30 120.40 114.90 1bkg s VAL 360 Ca 0.32 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.72 1bkg s VAL 360 Cb 0.05 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1bkg s VAL 360 CO 0.14 -0.14 0.17 -0.60 -3.33 0.00 0.00 175.10 171.34 1bkg s ARG 361 N -0.73 4.09 0.10 1.54 3.52 0.15 -0.70 118.95 126.93 1bkg s ARG 361 Ca -0.04 -0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1bkg s ARG 361 Cb -0.05 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1bkg s ARG 361 CO -0.00 0.08 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.06 1bkg s LEU 362 N 0.99 3.41 -0.10 -0.88 1.43 0.18 -2.88 118.68 120.83 1bkg s LEU 362 Ca 0.08 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1bkg s LEU 362 Cb -0.13 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1bkg s LEU 362 CO 0.04 0.16 -0.21 -0.44 0.23 0.00 0.00 176.35 176.13 1bkg s SER 363 N -2.39 2.78 -0.63 2.29 0.01 -0.42 -1.01 113.70 114.34 1bkg s SER 363 Ca 0.26 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 1bkg s SER 363 Cb -0.11 -1.27 0.44 0.00 0.21 0.00 0.00 66.02 65.28 1bkg s SER 363 CO 0.18 0.11 1.88 0.00 0.41 0.00 0.00 173.24 175.83 1bkg n TYR 364 N 3.70 3.14 -1.46 2.43 0.18 -0.90 -4.57 117.16 119.68 1bkg n TYR 364 Ca -0.20 -2.83 -0.34 0.00 1.88 0.00 0.00 57.90 56.41 1bkg n TYR 364 Cb 0.52 -1.22 0.07 0.00 -0.38 0.00 0.00 39.34 38.33 1bkg n TYR 364 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1bkg n ALA 365 N -0.83 6.22 -2.31 -3.48 0.00 -1.26 -4.82 120.51 114.03 1bkg n ALA 365 Ca 0.58 -3.57 -0.18 0.00 0.00 0.00 0.00 53.44 50.27 1bkg n ALA 365 Cb 0.66 -1.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 1bkg n ALA 365 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bkg s THR 366 N -4.83 0.20 0.76 0.00 -4.23 -1.26 -4.02 115.64 102.25 1bkg s THR 366 Ca 0.62 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1bkg s THR 366 Cb 0.49 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.87 1bkg s THR 366 CO -0.04 0.00 1.06 -1.54 -0.54 0.00 0.00 174.62 173.56 1bkg n SER 367 N -0.99 0.69 0.21 3.99 3.41 -1.26 -4.82 113.62 114.85 1bkg n SER 367 Ca 0.03 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1bkg n SER 367 Cb 0.64 -1.45 0.53 0.00 -0.26 0.00 0.00 64.21 63.67 1bkg n SER 367 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bkg h GLU 368 N -0.54 0.07 -0.42 4.33 5.08 -1.98 -1.91 114.58 119.21 1bkg h GLU 368 Ca -0.47 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1bkg h GLU 368 Cb 1.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1bkg h GLU 368 CO 0.46 0.16 0.11 1.49 -1.00 0.00 0.00 179.01 180.23 1bkg h GLU 369 N 0.07 0.66 -0.53 2.33 4.81 -1.99 -0.85 114.58 119.08 1bkg h GLU 369 Ca 0.01 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1bkg h GLU 369 Cb 0.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1bkg h GLU 369 CO 0.01 0.67 0.20 -0.91 -0.73 0.00 0.00 179.01 178.26 1bkg h ASN 370 N 0.53 0.73 -0.16 1.04 2.35 -1.71 0.11 115.58 118.47 1bkg h ASN 370 Ca 0.13 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1bkg h ASN 370 Cb 0.30 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1bkg h ASN 370 CO -0.00 0.71 0.07 -0.07 -1.65 0.00 0.00 177.43 176.49 1bkg h LEU 371 N 0.71 0.10 -0.78 1.61 3.38 -1.24 0.16 115.31 119.25 1bkg h LEU 371 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1bkg h LEU 371 Cb 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1bkg h LEU 371 CO -0.01 0.08 0.40 0.03 0.09 0.00 0.00 178.44 179.03 1bkg h ARG 372 N 0.16 1.10 -0.64 1.13 3.08 -0.96 -0.55 114.38 117.70 1bkg h ARG 372 Ca 0.07 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1bkg h ARG 372 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1bkg h ARG 372 CO -0.06 0.84 0.26 -0.22 -1.07 0.00 0.00 179.97 179.72 1bkg h LYS 373 N 1.08 0.96 -0.54 0.04 3.64 -0.34 -2.49 116.57 118.93 1bkg h LYS 373 Ca 0.27 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1bkg h LYS 373 Cb 0.08 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1bkg h LYS 373 CO -0.04 0.81 0.02 0.00 -2.27 0.00 0.00 179.45 177.97 1bkg h ALA 374 N 1.11 0.72 0.00 5.00 0.00 -0.12 -2.69 119.26 123.29 1bkg h ALA 374 Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bkg h ALA 374 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bkg h ALA 374 CO -0.02 0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 179.67 1bkg h LEU 375 N 0.82 0.00 -0.11 0.00 3.38 -0.81 -0.76 115.31 117.83 1bkg h LEU 375 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 1bkg h LEU 375 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1bkg h LEU 375 CO 0.02 0.02 -0.79 -0.33 0.09 0.00 0.00 178.44 177.45 1bkg h GLU 376 N 0.00 0.73 -0.05 1.13 5.08 -1.11 -2.63 114.58 117.73 1bkg h GLU 376 Ca -0.00 -0.64 -0.12 0.00 -1.00 0.00 0.00 59.36 57.60 1bkg h GLU 376 Cb 0.04 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1bkg h GLU 376 CO 0.00 1.24 -0.54 0.00 -1.00 0.00 0.00 179.01 178.72 1bkg h ARG 377 N 0.43 0.14 -0.37 2.33 3.08 -1.21 -2.09 114.38 116.70 1bkg h ARG 377 Ca -0.07 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1bkg h ARG 377 Cb 1.43 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1bkg h ARG 377 CO 0.16 0.65 0.16 0.74 -1.07 0.00 0.00 179.97 180.61 1bkg h PHE 378 N 0.11 0.55 0.14 3.04 0.04 -1.17 -2.01 116.94 117.64 1bkg h PHE 378 Ca -0.00 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1bkg h PHE 378 Cb 0.99 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.92 1bkg h PHE 378 CO 0.01 0.48 -0.53 0.00 -0.60 0.00 0.00 178.31 177.68 1bkg h ALA 379 N 1.01 -1.00 -0.34 2.45 0.00 -1.05 -1.77 119.26 118.57 1bkg h ALA 379 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1bkg h ALA 379 Cb 0.16 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1bkg h ALA 379 CO -0.01 -1.13 0.24 0.07 0.00 0.00 0.00 179.25 178.41 1bkg h ARG 380 N -0.77 0.15 -0.61 0.00 0.11 -1.23 0.55 114.38 112.59 1bkg h ARG 380 Ca -0.01 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 1bkg h ARG 380 Cb 0.77 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.79 1bkg h ARG 380 CO -0.27 0.10 0.18 0.28 0.10 0.00 0.00 179.97 180.36 1bkg h VAL 381 N 0.15 1.23 -0.01 0.08 2.07 -0.58 -3.52 116.25 115.68 1bkg h VAL 381 Ca 0.16 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1bkg h VAL 381 Cb 0.42 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1bkg h VAL 381 CO -0.02 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.06