#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mpf s PRO 2 N 0.00 3.10 0.37 3.23 0.02 -1.26 -4.92 135.00 135.54 3mpf s PRO 2 Ca 0.00 1.97 0.09 0.00 0.02 0.00 0.00 61.00 63.09 3mpf s PRO 2 Cb 0.00 -2.09 0.72 0.00 0.02 0.00 0.00 34.50 33.15 3mpf s PRO 2 CO 0.00 -1.15 1.87 -0.44 -0.33 0.00 0.00 177.00 176.95 3mpf h ASP 3 N 1.20 0.19 -4.45 2.53 3.32 -2.03 -3.44 116.42 113.75 3mpf h ASP 3 Ca -0.50 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.27 3mpf h ASP 3 Cb 1.30 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 3mpf h ASP 3 CO 0.56 0.42 -0.72 -0.44 -1.72 0.00 0.00 179.24 177.34 3mpf s SER 4 N -6.89 0.36 0.00 6.45 0.01 -1.26 -4.41 113.70 107.96 3mpf s SER 4 Ca -0.05 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3mpf s SER 4 Cb 0.15 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 3mpf s SER 4 CO 0.74 -0.15 -0.05 -0.69 0.41 0.00 0.00 173.24 173.50 3mpf s VAL 5 N -0.86 0.40 -0.29 3.43 1.01 -0.04 -4.95 120.40 119.10 3mpf s VAL 5 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3mpf s VAL 5 Cb -0.06 -0.36 0.15 0.00 0.00 0.00 0.00 36.38 36.11 3mpf s VAL 5 CO -0.00 0.03 0.36 -0.62 0.00 0.00 0.00 175.10 174.87 3mpf s ASP 6 N -0.33 0.94 0.37 3.32 -1.08 -1.26 -1.21 116.67 117.42 3mpf s ASP 6 Ca 0.00 -0.60 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 3mpf s ASP 6 Cb -0.03 0.84 1.20 0.00 -1.46 0.00 0.00 42.92 43.47 3mpf s ASP 6 CO -0.00 -0.36 1.82 -0.50 0.52 0.00 0.00 175.17 176.65 3mpf h TRP 7 N 8.15 0.00 -0.74 -5.34 4.06 -1.55 -2.64 115.95 117.89 3mpf h TRP 7 Ca -0.10 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.82 3mpf h TRP 7 Cb 1.10 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 3mpf h TRP 7 CO 0.28 0.00 0.32 0.00 -3.56 0.00 0.00 178.44 175.48 3mpf h ARG 8 N 0.00 1.09 0.00 0.49 3.08 -1.93 -2.29 114.38 114.81 3mpf h ARG 8 Ca 0.00 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3mpf h ARG 8 Cb 0.34 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3mpf h ARG 8 CO 0.00 0.86 -0.06 0.93 -1.07 0.00 0.00 179.97 180.63 3mpf h GLU 9 N 1.07 0.00 -0.31 0.04 5.08 -1.88 -2.55 114.58 116.03 3mpf h GLU 9 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3mpf h GLU 9 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3mpf h GLU 9 CO -0.03 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3mpf n LYS 10 N -3.30 2.11 -1.71 2.33 4.01 -0.89 -4.95 118.16 115.76 3mpf n LYS 10 Ca -0.01 -1.68 -0.07 0.00 -0.51 0.00 0.00 58.31 56.04 3mpf n LYS 10 Cb 0.24 -1.44 -0.01 0.00 -0.51 0.00 0.00 35.03 33.30 3mpf n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mpf n GLY 11 N 1.31 0.45 0.84 0.72 0.00 -0.96 -4.94 105.19 102.60 3mpf n GLY 11 Ca 0.17 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.60 3mpf n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf s VAL 13 N -1.23 1.25 0.87 0.00 1.01 -1.26 -3.66 120.40 117.38 3mpf s VAL 13 Ca 0.28 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3mpf s VAL 13 Cb 0.17 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.49 3mpf s VAL 13 CO 0.23 0.39 1.19 0.42 0.00 0.00 0.00 175.10 177.33 3mpf s THR 14 N 1.03 1.99 0.72 3.92 -4.23 -1.26 -4.96 115.64 112.85 3mpf s THR 14 Ca -0.07 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 3mpf s THR 14 Cb -0.15 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.79 3mpf s THR 14 CO -0.01 0.00 1.13 -1.84 -0.54 0.00 0.00 174.62 173.36 3mpf n GLU 15 N -3.53 0.64 -2.10 3.99 0.00 -1.26 -4.92 120.64 113.46 3mpf n GLU 15 Ca 0.09 0.28 -0.41 0.00 0.00 0.00 0.00 57.16 57.12 3mpf n GLU 15 Cb 0.60 -2.37 -0.02 0.00 0.00 0.00 0.00 31.44 29.64 3mpf n GLU 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3mpf s VAL 16 N -1.74 2.80 0.37 3.84 1.01 -1.26 -5.02 120.40 120.39 3mpf s VAL 16 Ca 0.77 0.72 0.07 0.00 0.00 0.00 0.00 61.98 63.54 3mpf s VAL 16 Cb -0.35 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3mpf s VAL 16 CO 0.47 0.14 0.41 -0.54 0.00 0.00 0.00 175.10 175.58 3mpf s LYS 17 N -0.88 2.82 -0.22 2.72 -0.14 -1.26 -4.71 119.74 118.06 3mpf s LYS 17 Ca 0.55 -1.25 -0.00 0.00 -1.36 0.00 0.00 55.97 53.90 3mpf s LYS 17 Cb -0.40 -2.61 0.06 0.00 -1.68 0.00 0.00 37.83 33.20 3mpf s LYS 17 CO 0.46 -0.04 -0.04 -0.47 -0.76 0.00 0.00 175.35 174.50 3mpf s TYR 18 N -2.31 2.03 -0.37 3.18 5.04 -1.26 -1.03 117.35 122.64 3mpf s TYR 18 Ca 0.46 -1.49 0.27 0.00 -2.44 0.00 0.00 57.07 53.87 3mpf s TYR 18 Cb -0.07 -1.44 0.84 0.00 0.35 0.00 0.00 41.96 41.64 3mpf s TYR 18 CO 0.29 -0.72 1.77 -0.56 -1.34 0.00 0.00 175.55 174.99 3mpf h GLN 19 N 8.03 0.00 0.00 4.97 3.07 -1.20 -3.47 115.11 126.51 3mpf h GLN 19 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 3mpf h GLN 19 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.65 3mpf h GLN 19 CO 0.40 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.73 3mpf n GLY 20 N 0.67 2.67 0.93 0.06 0.00 -1.26 -3.09 105.19 105.16 3mpf n GLY 20 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.68 3mpf n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mpf n SER 21 N 0.53 2.58 -4.38 1.61 7.64 -1.26 -4.77 113.62 115.57 3mpf n SER 21 Ca 0.00 -2.27 -0.34 0.00 1.01 0.00 0.00 58.87 57.26 3mpf n SER 21 Cb 0.00 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.59 3mpf n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mpf n GLY 23 N 4.21 4.03 1.22 0.00 0.00 0.38 -4.59 105.19 110.44 3mpf n GLY 23 Ca -0.18 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3mpf n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf n ALA 24 N 5.23 3.84 -0.34 4.61 0.00 -1.26 -2.96 120.51 129.63 3mpf n ALA 24 Ca 0.60 -2.65 0.06 0.00 0.00 0.00 0.00 53.44 51.45 3mpf n ALA 24 Cb 0.31 -0.84 0.25 0.00 0.00 0.00 0.00 19.45 19.17 3mpf n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mpf h SER 25 N 1.59 0.91 -0.97 0.00 4.64 -1.86 0.05 113.55 117.91 3mpf h SER 25 Ca 0.15 0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3mpf h SER 25 Cb 1.73 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 63.59 3mpf h SER 25 CO 0.41 0.52 0.62 4.11 -0.87 0.00 0.00 176.83 181.62 3mpf h TRP 26 N 1.00 1.11 -0.26 4.77 5.08 -1.84 0.43 115.95 126.23 3mpf h TRP 26 Ca 0.46 0.03 -0.09 0.00 1.08 0.00 0.00 58.89 60.37 3mpf h TRP 26 Cb 0.40 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.20 3mpf h TRP 26 CO -0.00 0.50 -0.19 0.00 -1.28 0.00 0.00 178.44 177.47 3mpf h ALA 27 N 1.52 0.38 -0.62 0.11 0.00 -1.35 -2.09 119.26 117.21 3mpf h ALA 27 Ca 0.45 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3mpf h ALA 27 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mpf h ALA 27 CO -0.21 0.31 0.05 0.74 0.00 0.00 0.00 179.25 180.14 3mpf h PHE 28 N 0.32 1.14 -0.40 0.00 -1.00 -1.03 -1.64 116.94 114.33 3mpf h PHE 28 Ca 0.05 -0.18 0.02 0.00 2.81 0.00 0.00 57.97 60.67 3mpf h PHE 28 Cb 0.73 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 3mpf h PHE 28 CO 0.07 0.99 0.22 1.03 -1.61 0.00 0.00 178.31 179.01 3mpf h SER 29 N 0.97 0.35 0.03 2.17 0.87 -0.90 -1.09 113.55 115.96 3mpf h SER 29 Ca 0.18 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3mpf h SER 29 Cb 0.50 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3mpf h SER 29 CO 0.02 0.25 -0.02 0.00 -0.53 0.00 0.00 176.83 176.56 3mpf h ALA 30 N 1.19 -0.04 -0.55 6.23 0.00 -1.20 -2.14 119.26 122.74 3mpf h ALA 30 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mpf h ALA 30 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3mpf h ALA 30 CO -0.09 -0.41 0.20 -0.39 0.00 0.00 0.00 179.25 178.56 3mpf h VAL 31 N -0.27 1.21 -0.48 0.00 -1.51 -1.27 -1.88 116.25 112.04 3mpf h VAL 31 Ca -0.00 -0.68 0.02 0.00 -1.23 0.00 0.00 66.70 64.81 3mpf h VAL 31 Cb 0.25 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 3mpf h VAL 31 CO 0.01 0.26 0.28 1.23 -1.23 0.00 0.00 177.57 178.12 3mpf h GLY 32 N 0.94 0.68 1.00 5.19 0.00 -1.06 0.28 103.07 110.10 3mpf h GLY 32 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3mpf h GLY 32 CO -0.01 0.18 0.13 0.00 0.00 0.00 0.00 176.54 176.84 3mpf h ALA 33 N 1.22 0.72 -0.14 3.60 0.00 -1.00 -2.98 119.26 120.67 3mpf h ALA 33 Ca 0.19 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3mpf h ALA 33 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mpf h ALA 33 CO -0.09 0.43 -0.56 1.25 0.00 0.00 0.00 179.25 180.27 3mpf h LEU 34 N 0.78 0.49 -0.75 0.00 5.85 -1.01 -3.03 115.31 117.63 3mpf h LEU 34 Ca 0.17 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.74 3mpf h LEU 34 Cb 0.34 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3mpf h LEU 34 CO 0.00 0.95 0.37 -0.33 -0.34 0.00 0.00 178.44 179.09 3mpf h GLU 35 N 0.34 0.57 -0.48 1.25 5.08 -0.34 -0.51 114.58 120.49 3mpf h GLU 35 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3mpf h GLU 35 Cb 1.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3mpf h GLU 35 CO 0.10 0.38 0.09 0.00 -1.00 0.00 0.00 179.01 178.58 3mpf h ALA 36 N 1.47 0.64 -0.43 3.43 0.00 -1.41 -2.06 119.26 120.90 3mpf h ALA 36 Ca 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3mpf h ALA 36 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mpf h ALA 36 CO -0.31 0.36 -0.04 1.96 0.00 0.00 0.00 179.25 181.22 3mpf h GLN 37 N 0.67 0.73 -0.56 0.00 1.08 -1.34 -0.75 115.11 114.95 3mpf h GLN 37 Ca 0.15 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3mpf h GLN 37 Cb 0.37 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3mpf h GLN 37 CO 0.01 0.78 0.30 1.25 -0.95 0.00 0.00 178.83 180.21 3mpf h LEU 38 N 0.68 0.70 -0.34 1.46 5.85 -0.94 -0.57 115.31 122.16 3mpf h LEU 38 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3mpf h LEU 38 Cb 0.48 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3mpf h LEU 38 CO 0.02 0.60 0.18 0.50 -0.34 0.00 0.00 178.44 179.41 3mpf h LYS 39 N 0.75 0.47 -0.63 1.25 1.63 -1.02 0.42 116.57 119.44 3mpf h LYS 39 Ca 0.19 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 3mpf h LYS 39 Cb 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3mpf h LYS 39 CO -0.03 0.39 0.33 -0.07 -3.45 0.00 0.00 179.45 176.62 3mpf h LEU 40 N 0.42 0.79 0.14 5.20 3.38 -0.90 0.23 115.31 124.56 3mpf h LEU 40 Ca 0.12 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 3mpf h LEU 40 Cb 0.06 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.63 3mpf h LEU 40 CO -0.02 0.65 -0.88 0.50 0.09 0.00 0.00 178.44 178.78 3mpf h LYS 41 N 0.88 0.29 0.00 1.13 3.64 -0.93 -3.41 116.57 118.18 3mpf h LYS 41 Ca 0.22 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3mpf h LYS 41 Cb 0.05 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3mpf h LYS 41 CO -0.03 1.24 -1.31 0.25 -2.27 0.00 0.00 179.45 177.32 3mpf n THR 42 N -4.11 0.00 -0.69 1.00 -2.24 0.12 -5.00 114.28 103.36 3mpf n THR 42 Ca -0.15 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3mpf n THR 42 Cb 0.83 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3mpf n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mpf n GLY 43 N 1.62 1.12 3.57 3.38 0.00 0.79 -5.03 105.19 110.65 3mpf n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3mpf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mpf s LYS 44 N -0.19 3.41 -0.32 1.61 1.02 -1.26 -4.98 119.74 119.04 3mpf s LYS 44 Ca 0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 3mpf s LYS 44 Cb 0.00 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3mpf s LYS 44 CO 0.00 0.42 0.22 -1.17 -0.92 0.00 0.00 175.35 173.90 3mpf s LEU 45 N -0.10 4.36 -0.04 3.17 2.96 -1.26 -3.30 118.68 124.47 3mpf s LEU 45 Ca 0.03 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3mpf s LEU 45 Cb -0.13 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.46 3mpf s LEU 45 CO 0.02 -0.18 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.16 3mpf s VAL 46 N 1.73 0.39 0.16 1.68 1.01 -1.26 -5.10 120.40 119.00 3mpf s VAL 46 Ca 0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3mpf s VAL 46 Cb -0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 3mpf s VAL 46 CO 0.10 0.20 1.43 -0.44 0.00 0.00 0.00 175.10 176.39 3mpf s SER 47 N 1.03 6.76 0.23 3.32 0.01 -1.26 -4.83 113.70 118.96 3mpf s SER 47 Ca -0.09 2.45 0.06 0.00 1.31 0.00 0.00 55.95 59.67 3mpf s SER 47 Cb -0.14 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3mpf s SER 47 CO -0.01 -0.68 0.26 -0.76 0.41 0.00 0.00 173.24 172.46 3mpf s LEU 48 N 0.75 4.06 -0.65 2.44 1.43 -1.26 -1.26 118.68 124.18 3mpf s LEU 48 Ca 0.64 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.39 3mpf s LEU 48 Cb -0.39 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.26 3mpf s LEU 48 CO 0.33 -0.03 1.20 -0.55 0.23 0.00 0.00 176.35 177.53 3mpf s SER 49 N -3.77 6.29 0.33 2.29 0.15 -0.53 -4.23 113.70 114.23 3mpf s SER 49 Ca 0.33 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.76 3mpf s SER 49 Cb -0.09 -2.54 0.57 0.00 -1.71 0.00 0.00 66.02 62.25 3mpf s SER 49 CO 0.27 -1.62 1.90 0.00 1.20 0.00 0.00 173.24 174.99 3mpf h ALA 50 N 9.74 1.39 -0.88 5.45 0.00 -1.86 -2.94 119.26 130.17 3mpf h ALA 50 Ca -0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3mpf h ALA 50 Cb 1.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3mpf h ALA 50 CO 1.22 0.45 0.47 0.37 0.00 0.00 0.00 179.25 181.76 3mpf h GLN 51 N 0.67 1.24 -0.72 0.00 5.75 -1.86 -1.54 115.11 118.66 3mpf h GLN 51 Ca 0.16 -0.15 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 3mpf h GLN 51 Cb 0.19 -0.24 -0.10 0.00 1.07 0.00 0.00 27.48 28.40 3mpf h GLN 51 CO -0.01 0.92 0.20 -0.97 -2.65 0.00 0.00 178.83 176.32 3mpf h ASN 52 N 1.24 0.08 -0.16 -0.69 -0.00 -1.76 0.46 115.58 114.75 3mpf h ASN 52 Ca 0.31 0.13 -0.05 0.00 -0.00 0.00 0.00 56.30 56.69 3mpf h ASN 52 Cb 0.05 0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.52 3mpf h ASN 52 CO -0.05 0.01 -0.08 -0.07 -0.00 0.00 0.00 177.43 177.24 3mpf h LEU 53 N 0.31 0.35 -0.69 0.34 3.38 -1.42 -1.62 115.31 115.98 3mpf h LEU 53 Ca 0.40 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3mpf h LEU 53 Cb 0.65 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3mpf h LEU 53 CO -0.46 0.69 0.36 0.58 0.09 0.00 0.00 178.44 179.71 3mpf h VAL 54 N 0.01 0.92 0.00 1.22 2.07 -0.64 -0.81 116.25 119.03 3mpf h VAL 54 Ca 0.04 -0.22 -0.22 0.00 0.82 0.00 0.00 66.70 67.11 3mpf h VAL 54 Cb 0.56 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3mpf h VAL 54 CO 0.02 0.12 -1.12 0.44 0.02 0.00 0.00 177.57 177.06 3mpf h ASP 55 N 0.65 0.00 0.00 0.57 3.32 -0.94 -3.39 116.42 116.63 3mpf h ASP 55 Ca 0.32 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 3mpf h ASP 55 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3mpf h ASP 55 CO -0.22 0.97 -1.31 0.00 -1.72 0.00 0.00 179.24 176.96 3mpf s SER 57 N -3.51 7.08 0.00 0.00 0.15 -0.32 -4.90 113.70 112.19 3mpf s SER 57 Ca -0.02 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 53.60 3mpf s SER 57 Cb 0.01 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3mpf s SER 57 CO 0.19 -0.67 0.00 0.35 1.20 0.00 0.00 173.24 174.31 3mpf n THR 58 N 4.26 0.00 -0.01 6.45 -2.24 -1.26 -4.49 114.28 116.99 3mpf n THR 58 Ca 0.32 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.11 3mpf n THR 58 Cb 0.43 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.99 3mpf n THR 58 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mpf h GLU 59 N 0.00 0.54 0.00 -0.78 3.07 -1.91 0.28 114.58 115.78 3mpf h GLU 59 Ca 0.00 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3mpf h GLU 59 Cb 0.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3mpf h GLU 59 CO 0.00 0.50 -0.07 0.87 -1.40 0.00 0.00 179.01 178.91 3mpf h LYS 60 N 0.53 0.00 -0.41 2.33 6.56 -1.94 -2.31 116.57 121.33 3mpf h LYS 60 Ca 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3mpf h LYS 60 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 3mpf h LYS 60 CO -0.00 0.07 0.00 0.66 -2.06 0.00 0.00 179.45 178.12 3mpf n TYR 61 N -3.50 0.53 -1.01 -1.35 4.02 0.03 -4.97 117.16 110.91 3mpf n TYR 61 Ca -0.02 -0.36 -0.00 0.00 -0.01 0.00 0.00 57.90 57.51 3mpf n TYR 61 Cb 0.20 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.51 3mpf n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mpf n GLY 62 N 1.09 0.41 3.93 2.72 0.00 -0.87 -4.78 105.19 107.69 3mpf n GLY 62 Ca 0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3mpf n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mpf s ASN 63 N -2.07 6.37 -0.20 1.61 0.01 -0.84 -4.80 114.94 115.02 3mpf s ASN 63 Ca 0.00 0.28 0.14 0.00 -0.71 0.00 0.00 52.86 52.57 3mpf s ASN 63 Cb 0.00 -1.96 0.44 0.00 0.41 0.00 0.00 41.25 40.14 3mpf s ASN 63 CO 0.00 0.08 1.19 0.29 -1.51 0.00 0.00 177.10 177.15 3mpf n LYS 64 N -0.20 1.94 0.00 -0.60 5.02 0.93 -3.66 118.16 121.59 3mpf n LYS 64 Ca -0.05 -3.37 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 3mpf n LYS 64 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3mpf n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mpf n GLY 65 N -0.66 3.64 0.00 0.72 0.00 -1.20 -0.68 105.19 107.00 3mpf n GLY 65 Ca 0.23 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.53 3mpf n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mpf n ASN 67 N -1.28 4.48 0.00 0.00 3.02 0.15 -0.47 115.26 121.16 3mpf n ASN 67 Ca 0.06 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 3mpf n ASN 67 Cb 0.10 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3mpf n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mpf n GLY 68 N -0.17 2.28 1.65 7.41 0.00 -0.88 -4.77 105.19 110.72 3mpf n GLY 68 Ca 0.26 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 44.26 3mpf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mpf n GLY 69 N 0.34 0.38 3.41 -0.02 0.00 -1.26 -0.05 105.19 107.99 3mpf n GLY 69 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 3mpf n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mpf s PHE 70 N -2.38 2.56 0.23 1.61 0.40 -1.26 -4.77 117.98 114.36 3mpf s PHE 70 Ca 0.13 -0.26 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 3mpf s PHE 70 Cb -0.00 -1.58 0.22 0.00 0.51 0.00 0.00 43.02 42.17 3mpf s PHE 70 CO -0.01 0.10 1.73 0.52 0.70 0.00 0.00 175.22 178.26 3mpf h MET 71 N 5.39 0.96 -0.50 0.44 2.86 -1.98 -2.55 114.93 119.54 3mpf h MET 71 Ca -0.45 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 56.92 3mpf h MET 71 Cb 1.14 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 3mpf h MET 71 CO 0.49 0.91 0.24 1.79 1.06 0.00 0.00 176.91 181.40 3mpf h THR 72 N 0.90 1.19 0.00 2.22 1.35 -1.96 -1.10 112.91 115.52 3mpf h THR 72 Ca 0.18 -0.54 -0.06 0.00 -0.55 0.00 0.00 66.41 65.43 3mpf h THR 72 Cb 0.44 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3mpf h THR 72 CO 0.02 0.21 -0.28 0.71 -0.25 0.00 0.00 175.52 175.93 3mpf h THR 73 N 0.66 0.57 -0.22 6.82 1.35 -1.86 -1.52 112.91 118.71 3mpf h THR 73 Ca 0.17 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3mpf h THR 73 Cb 0.12 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3mpf h THR 73 CO -0.02 0.28 0.13 0.00 -0.25 0.00 0.00 175.52 175.65 3mpf h ALA 74 N 1.72 0.28 -0.68 6.62 0.00 -1.02 -0.97 119.26 125.21 3mpf h ALA 74 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mpf h ALA 74 Cb 0.97 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3mpf h ALA 74 CO 0.04 -0.20 0.44 0.74 0.00 0.00 0.00 179.25 180.27 3mpf h PHE 75 N 0.26 0.82 -0.81 0.00 0.04 -0.78 -2.25 116.94 114.23 3mpf h PHE 75 Ca 0.08 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 3mpf h PHE 75 Cb 0.04 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 3mpf h PHE 75 CO -0.04 0.49 0.47 0.37 -0.60 0.00 0.00 178.31 179.00 3mpf h GLN 76 N 0.87 1.11 -0.55 1.51 5.75 -1.11 -1.13 115.11 121.56 3mpf h GLN 76 Ca 0.26 -0.11 0.08 0.00 -0.15 0.00 0.00 58.65 58.73 3mpf h GLN 76 Cb -0.03 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.23 3mpf h GLN 76 CO -0.09 0.79 0.21 -0.92 -2.65 0.00 0.00 178.83 176.18 3mpf h TYR 77 N 1.11 0.37 -0.62 3.99 3.20 -0.82 0.52 116.97 124.72 3mpf h TYR 77 Ca 0.29 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 3mpf h TYR 77 Cb -0.02 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3mpf h TYR 77 CO -0.00 0.12 0.11 0.82 -1.64 0.00 0.00 178.16 177.57 3mpf h ILE 78 N 0.40 1.25 0.35 1.81 2.04 -0.76 0.33 117.51 122.93 3mpf h ILE 78 Ca 0.27 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3mpf h ILE 78 Cb 0.29 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3mpf h ILE 78 CO -0.26 0.36 -0.17 0.40 0.00 0.00 0.00 178.15 178.49 3mpf h ILE 79 N 0.95 0.67 -0.74 -0.67 2.04 -0.88 -1.75 117.51 117.14 3mpf h ILE 79 Ca 0.19 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3mpf h ILE 79 Cb 0.39 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3mpf h ILE 79 CO 0.01 0.04 0.42 0.44 0.00 0.00 0.00 178.15 179.06 3mpf h ASP 80 N -0.57 0.91 1.07 1.72 3.32 -0.62 -2.56 116.42 119.70 3mpf h ASP 80 Ca -0.05 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3mpf h ASP 80 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3mpf h ASP 80 CO 0.08 0.74 0.00 -3.20 -1.72 0.00 0.00 179.24 175.13 3mpf n ASN 81 N -4.48 0.70 -2.18 6.45 5.15 0.11 -4.91 115.26 116.10 3mpf n ASN 81 Ca 0.07 0.62 -0.19 0.00 -0.60 0.00 0.00 54.58 54.47 3mpf n ASN 81 Cb 0.08 -0.78 -0.01 0.00 -0.53 0.00 0.00 39.78 38.54 3mpf n ASN 81 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3mpf n LYS 82 N -2.21 -1.53 0.00 1.20 5.02 -0.71 -4.93 118.16 115.00 3mpf n LYS 82 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3mpf n LYS 82 Cb 0.32 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 3mpf n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mpf n GLY 83 N -1.01 2.41 2.92 0.72 0.00 -0.90 -4.88 105.19 104.44 3mpf n GLY 83 Ca -0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 3mpf n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mpf s ILE 84 N -2.00 0.13 0.64 -0.61 2.07 -0.73 -4.71 121.20 115.99 3mpf s ILE 84 Ca 0.00 -0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.85 3mpf s ILE 84 Cb 0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3mpf s ILE 84 CO 0.00 -0.10 1.04 -1.81 -1.91 0.00 0.00 174.94 172.16 3mpf s ASP 85 N -0.40 5.98 0.66 4.50 1.01 -1.26 -0.93 116.67 126.24 3mpf s ASP 85 Ca -0.03 1.48 -0.16 0.00 0.71 0.00 0.00 52.55 54.55 3mpf s ASP 85 Cb -0.03 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3mpf s ASP 85 CO -0.00 -1.04 1.16 -0.94 0.21 0.00 0.00 175.17 174.56 3mpf s SER 86 N -4.05 4.86 0.24 0.27 1.04 -1.00 -1.45 113.70 113.60 3mpf s SER 86 Ca 0.56 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 59.13 3mpf s SER 86 Cb -0.12 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.65 3mpf s SER 86 CO 0.54 -1.81 1.87 -0.78 0.98 0.00 0.00 173.24 174.04 3mpf h ASP 87 N 0.18 1.13 -0.28 7.02 1.82 -1.35 -1.90 116.42 123.04 3mpf h ASP 87 Ca -0.48 -0.09 0.05 0.00 -0.39 0.00 0.00 57.03 56.12 3mpf h ASP 87 Cb 1.27 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 40.95 3mpf h ASP 87 CO 0.53 0.89 -0.02 0.00 -1.61 0.00 0.00 179.24 179.03 3mpf h ALA 88 N 1.29 0.23 0.00 -0.78 0.00 -1.92 -1.63 119.26 116.45 3mpf h ALA 88 Ca 0.32 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3mpf h ALA 88 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3mpf h ALA 88 CO -0.05 -0.43 -0.50 0.66 0.00 0.00 0.00 179.25 178.93 3mpf h SER 89 N 0.06 0.00 -2.12 0.00 4.64 -1.89 -3.36 113.55 110.88 3mpf h SER 89 Ca 0.13 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.88 3mpf h SER 89 Cb 0.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.88 3mpf h SER 89 CO -0.24 0.50 -0.98 0.00 -0.87 0.00 0.00 176.83 175.24 3mpf n TYR 90 N -3.58 0.45 -1.36 4.77 4.19 -0.73 -5.02 117.16 115.89 3mpf n TYR 90 Ca -0.00 -3.67 -0.31 0.00 3.31 0.00 0.00 57.90 57.23 3mpf n TYR 90 Cb 0.59 -0.32 0.09 0.00 0.49 0.00 0.00 39.34 40.19 3mpf n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3mpf s PRO 91 N -1.29 2.14 -0.13 2.98 0.04 -0.64 -4.51 135.00 133.59 3mpf s PRO 91 Ca 0.35 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.10 3mpf s PRO 91 Cb 0.14 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 3mpf s PRO 91 CO -0.10 -1.66 0.81 -0.47 0.04 0.00 0.00 177.00 175.61 3mpf s TYR 92 N -2.98 3.48 -0.62 0.56 5.04 -1.26 -4.75 117.35 116.81 3mpf s TYR 92 Ca 0.61 1.28 0.06 0.00 -2.44 0.00 0.00 57.07 56.58 3mpf s TYR 92 Cb -0.16 -2.97 0.01 0.00 0.35 0.00 0.00 41.96 39.19 3mpf s TYR 92 CO 0.56 -0.14 0.54 1.63 -1.34 0.00 0.00 175.55 176.80 3mpf n LYS 93 N 4.77 1.77 -3.53 4.97 4.76 -1.26 -5.01 118.16 124.63 3mpf n LYS 93 Ca 0.03 -0.57 -0.25 0.00 -2.87 0.00 0.00 58.31 54.65 3mpf n LYS 93 Cb 0.50 -1.00 0.05 0.00 -1.84 0.00 0.00 35.03 32.73 3mpf n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mpf n ALA 94 N -0.17 -1.20 -2.58 7.82 0.00 -1.26 -4.99 120.51 118.13 3mpf n ALA 94 Ca 0.03 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 3mpf n ALA 94 Cb 0.14 -4.58 -0.08 0.00 0.00 0.00 0.00 19.45 14.93 3mpf n ALA 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3mpf s MET 95 N -6.23 0.80 -0.05 0.00 -1.94 -1.26 -4.44 119.30 106.17 3mpf s MET 95 Ca 0.53 -0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 53.29 3mpf s MET 95 Cb -0.25 0.32 -0.03 0.00 2.01 0.00 0.00 34.83 36.89 3mpf s MET 95 CO 0.65 -0.24 1.08 -0.51 -0.01 0.00 0.00 175.02 175.99 3mpf s ASP 96 N -2.72 7.19 0.28 3.03 1.01 -1.26 -4.91 116.67 119.30 3mpf s ASP 96 Ca 0.03 1.69 0.03 0.00 0.71 0.00 0.00 52.55 55.02 3mpf s ASP 96 Cb 0.04 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 3mpf s ASP 96 CO -0.10 -0.45 0.04 -1.10 0.21 0.00 0.00 175.17 173.77 3mpf s GLN 97 N 1.78 1.49 0.58 8.23 -0.21 -1.26 -5.10 119.66 125.16 3mpf s GLN 97 Ca 0.52 -1.80 -0.19 0.00 0.02 0.00 0.00 55.36 53.91 3mpf s GLN 97 Cb -0.22 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.07 3mpf s GLN 97 CO 0.22 -0.16 1.20 -1.59 -2.12 0.00 0.00 175.29 172.84 3mpf s LYS 98 N -3.90 3.08 0.18 2.91 0.00 -1.26 -4.60 119.74 116.16 3mpf s LYS 98 Ca 0.34 1.82 -0.32 0.00 0.00 0.00 0.00 55.97 57.81 3mpf s LYS 98 Cb 0.07 -1.99 -0.11 0.00 0.00 0.00 0.00 37.83 35.81 3mpf s LYS 98 CO 0.13 -1.12 1.65 0.00 0.00 0.00 0.00 175.35 176.01 3mpf n GLN 100 N 4.04 1.73 -1.71 0.00 6.02 -1.26 -5.06 117.38 121.13 3mpf n GLN 100 Ca 0.15 -2.46 -0.43 0.00 -0.01 0.00 0.00 57.00 54.25 3mpf n GLN 100 Cb 0.37 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 3mpf n GLN 100 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3mpf n TYR 101 N -1.17 2.58 -3.75 1.08 9.36 -1.26 -4.99 117.16 119.01 3mpf n TYR 101 Ca 0.14 0.28 -0.24 0.00 3.32 0.00 0.00 57.90 61.41 3mpf n TYR 101 Cb 0.61 -2.56 -0.17 0.00 -0.63 0.00 0.00 39.34 36.59 3mpf n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3mpf s ASP 102 N 0.55 1.83 0.66 2.98 -1.08 -1.26 -5.03 116.67 115.32 3mpf s ASP 102 Ca 0.68 -0.22 0.42 0.00 -0.52 0.00 0.00 52.55 52.90 3mpf s ASP 102 Cb -0.56 -0.45 2.31 0.00 -1.46 0.00 0.00 42.92 42.77 3mpf s ASP 102 CO 0.46 -0.22 2.34 0.77 0.52 0.00 0.00 175.17 179.03 3mpf h SER 103 N 8.32 0.00 -0.29 -0.34 4.64 -1.99 -1.85 113.55 122.04 3mpf h SER 103 Ca -0.19 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.20 3mpf h SER 103 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3mpf h SER 103 CO 0.27 0.00 0.21 0.50 -0.87 0.00 0.00 176.83 176.94 3mpf h LYS 104 N 0.00 0.08 -0.30 4.77 3.64 -2.02 -2.46 116.57 120.28 3mpf h LYS 104 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3mpf h LYS 104 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3mpf h LYS 104 CO -0.00 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 3mpf n TYR 105 N -4.47 1.07 -1.67 1.91 4.02 -0.70 -5.01 117.16 112.32 3mpf n TYR 105 Ca 0.04 -0.86 -0.47 0.00 -0.01 0.00 0.00 57.90 56.61 3mpf n TYR 105 Cb 0.32 -0.33 -0.04 0.00 -0.02 0.00 0.00 39.34 39.26 3mpf n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3mpf n ARG 106 N -0.36 2.13 -0.00 -0.72 0.63 -0.93 -2.37 116.66 115.04 3mpf n ARG 106 Ca 0.22 0.77 0.04 0.00 -0.92 0.00 0.00 57.85 57.95 3mpf n ARG 106 Cb 0.92 -2.55 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 3mpf n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mpf n ALA 107 N 3.92 2.44 -3.21 5.13 0.00 -0.10 -4.82 120.51 123.86 3mpf n ALA 107 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3mpf n ALA 107 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3mpf n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mpf s ALA 108 N -2.27 -1.18 0.36 0.00 0.00 -1.15 -4.99 121.76 112.53 3mpf s ALA 108 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3mpf s ALA 108 Cb 0.05 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.90 3mpf s ALA 108 CO 0.29 -0.72 0.06 0.95 0.00 0.00 0.00 175.76 176.34 3mpf s THR 109 N -3.80 1.25 -0.01 0.00 -4.23 -1.26 -1.77 115.64 105.82 3mpf s THR 109 Ca 0.03 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3mpf s THR 109 Cb 0.00 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3mpf s THR 109 CO -0.11 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 173.99 3mpf n SER 111 N 3.85 1.15 -3.79 0.00 7.64 -0.20 -4.20 113.62 118.06 3mpf n SER 111 Ca -0.23 0.03 -0.05 0.00 1.01 0.00 0.00 58.87 59.63 3mpf n SER 111 Cb 0.53 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 3mpf n SER 111 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3mpf s LYS 112 N -2.52 1.42 0.06 1.43 -2.85 -1.19 -5.01 119.74 111.08 3mpf s LYS 112 Ca -0.20 -0.79 -0.00 0.00 -1.00 0.00 0.00 55.97 53.98 3mpf s LYS 112 Cb 0.07 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 3mpf s LYS 112 CO 0.73 -0.65 -0.04 1.52 0.10 0.00 0.00 175.35 177.01 3mpf s TYR 113 N -3.52 0.61 -0.06 1.78 -0.85 -1.26 -1.15 117.35 112.90 3mpf s TYR 113 Ca 0.12 -0.99 0.03 0.00 -0.52 0.00 0.00 57.07 55.71 3mpf s TYR 113 Cb -0.03 -0.42 0.01 0.00 0.38 0.00 0.00 41.96 41.90 3mpf s TYR 113 CO 0.04 -0.30 -0.15 0.99 -1.52 0.00 0.00 175.55 174.61 3mpf s THR 114 N -3.68 1.30 -0.14 -3.49 2.01 0.06 -4.97 115.64 106.73 3mpf s THR 114 Ca 0.07 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 3mpf s THR 114 Cb 0.06 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3mpf s THR 114 CO -0.08 0.39 0.11 -1.61 -0.69 0.00 0.00 174.62 172.74 3mpf s GLU 115 N 0.45 3.58 0.17 4.92 2.02 -1.26 -1.54 118.70 127.04 3mpf s GLU 115 Ca -0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 3mpf s GLU 115 Cb -0.15 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3mpf s GLU 115 CO 0.04 0.63 0.35 -0.51 0.02 0.00 0.00 175.26 175.79 3mpf s LEU 116 N -0.61 4.27 0.42 1.80 1.43 -0.51 -5.00 118.68 120.47 3mpf s LEU 116 Ca 0.12 0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 53.34 3mpf s LEU 116 Cb -0.12 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 3mpf s LEU 116 CO 0.02 0.01 1.35 -2.16 0.23 0.00 0.00 176.35 175.80 3mpf s PRO 117 N -3.10 3.89 0.04 1.29 0.04 -1.26 -4.44 135.00 131.46 3mpf s PRO 117 Ca 0.38 2.25 -0.34 0.00 0.04 0.00 0.00 61.00 63.33 3mpf s PRO 117 Cb -0.11 -2.74 -0.13 0.00 0.04 0.00 0.00 34.50 31.56 3mpf s PRO 117 CO 0.28 -0.59 1.72 0.98 0.04 0.00 0.00 177.00 179.44 3mpf n TYR 118 N 0.05 2.29 -0.95 0.56 4.19 -1.26 -2.69 117.16 119.35 3mpf n TYR 118 Ca 0.04 0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.38 3mpf n TYR 118 Cb 0.43 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.66 3mpf n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mpf n GLY 119 N 3.89 0.76 3.45 2.98 0.00 0.89 -4.95 105.19 112.21 3mpf n GLY 119 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3mpf n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mpf s ARG 120 N -0.17 3.48 0.43 1.61 1.81 -1.10 -4.72 118.95 120.30 3mpf s ARG 120 Ca 0.00 -1.54 0.24 0.00 -1.72 0.00 0.00 55.73 52.71 3mpf s ARG 120 Cb 0.00 -4.78 0.83 0.00 -0.45 0.00 0.00 34.95 30.55 3mpf s ARG 120 CO 0.00 -1.79 1.78 0.93 -0.68 0.00 0.00 175.30 175.54 3mpf h GLU 121 N 9.03 0.00 -0.46 3.54 5.08 -1.90 -1.99 114.58 127.89 3mpf h GLU 121 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3mpf h GLU 121 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3mpf h GLU 121 CO 1.14 0.23 -0.06 0.38 -1.00 0.00 0.00 179.01 179.70 3mpf h ASP 122 N 0.00 0.84 -0.28 1.42 2.03 -2.00 -1.60 116.42 116.83 3mpf h ASP 122 Ca -0.00 -0.34 -0.17 0.00 -0.73 0.00 0.00 57.03 55.79 3mpf h ASP 122 Cb 0.81 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 39.08 3mpf h ASP 122 CO 0.03 0.98 -0.45 0.58 -1.03 0.00 0.00 179.24 179.35 3mpf h VAL 123 N 0.69 1.28 -0.61 4.15 2.07 -1.92 -2.44 116.25 119.47 3mpf h VAL 123 Ca 0.12 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3mpf h VAL 123 Cb 0.58 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3mpf h VAL 123 CO 0.03 0.54 0.40 0.25 0.02 0.00 0.00 177.57 178.81 3mpf h LEU 124 N 0.68 0.70 -0.47 2.57 5.85 -1.34 -1.59 115.31 121.72 3mpf h LEU 124 Ca 0.04 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3mpf h LEU 124 Cb 1.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3mpf h LEU 124 CO 0.10 0.52 0.27 0.50 -0.34 0.00 0.00 178.44 179.49 3mpf h LYS 125 N 0.82 0.53 -0.74 1.25 3.64 -1.16 -0.86 116.57 120.04 3mpf h LYS 125 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3mpf h LYS 125 Cb -0.08 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 3mpf h LYS 125 CO -0.05 0.35 0.47 1.49 -2.27 0.00 0.00 179.45 179.44 3mpf h GLU 126 N 0.54 0.99 -0.37 1.90 4.81 -1.17 -1.19 114.58 120.10 3mpf h GLU 126 Ca 0.19 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3mpf h GLU 126 Cb 0.03 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3mpf h GLU 126 CO -0.09 0.68 -0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3mpf h ALA 127 N 1.25 0.50 -0.56 2.92 0.00 -0.92 0.07 119.26 122.53 3mpf h ALA 127 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3mpf h ALA 127 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3mpf h ALA 127 CO -0.05 0.27 0.25 0.28 0.00 0.00 0.00 179.25 179.99 3mpf h VAL 128 N 0.47 1.21 -0.22 0.00 2.07 -0.97 0.27 116.25 119.09 3mpf h VAL 128 Ca 0.10 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3mpf h VAL 128 Cb 0.47 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3mpf h VAL 128 CO 0.02 0.25 -0.06 0.00 0.02 0.00 0.00 177.57 177.79 3mpf h ALA 129 N 1.09 0.30 0.00 1.67 0.00 -1.14 -3.24 119.26 117.94 3mpf h ALA 129 Ca 0.19 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3mpf h ALA 129 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3mpf h ALA 129 CO -0.02 0.10 -1.75 0.09 0.00 0.00 0.00 179.25 177.67 3mpf n ASN 130 N -4.58 0.44 -0.05 0.00 3.02 0.00 -4.67 115.26 109.42 3mpf n ASN 130 Ca -0.04 0.19 -0.08 0.00 -0.03 0.00 0.00 54.58 54.62 3mpf n ASN 130 Cb 0.30 0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 3mpf n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mpf n LYS 131 N -2.68 0.24 0.00 3.52 4.76 0.92 -5.05 118.16 119.87 3mpf n LYS 131 Ca -0.13 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3mpf n LYS 131 Cb 0.82 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 3mpf n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mpf n GLY 132 N 2.91 0.96 3.63 0.72 0.00 -0.96 -4.96 105.19 107.49 3mpf n GLY 132 Ca -0.18 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 3mpf n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mpf n PRO 133 N -0.54 1.49 -5.17 1.61 -0.02 -1.26 -4.04 135.00 127.07 3mpf n PRO 133 Ca 0.00 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3mpf n PRO 133 Cb 0.00 -2.10 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 3mpf n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mpf s VAL 134 N -1.23 1.97 0.11 -1.45 1.01 -0.62 -4.80 120.40 115.40 3mpf s VAL 134 Ca 0.62 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3mpf s VAL 134 Cb -0.56 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 3mpf s VAL 134 CO 0.58 0.54 1.23 -0.44 0.00 0.00 0.00 175.10 177.00 3mpf s SER 135 N 0.25 7.05 0.05 3.32 0.01 0.21 -0.89 113.70 123.69 3mpf s SER 135 Ca -0.15 2.14 -0.01 0.00 1.31 0.00 0.00 55.95 59.24 3mpf s SER 135 Cb -0.17 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3mpf s SER 135 CO 0.07 -0.46 -0.03 0.68 0.41 0.00 0.00 173.24 173.91 3mpf s VAL 136 N 0.65 0.23 0.10 3.43 -7.23 -0.50 -0.81 120.40 116.28 3mpf s VAL 136 Ca 0.57 -1.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.08 3mpf s VAL 136 Cb -0.32 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 3mpf s VAL 136 CO 0.32 -0.88 0.31 -0.83 -0.31 0.00 0.00 175.10 173.71 3mpf s GLY 137 N -2.61 2.22 0.10 2.32 0.00 -1.26 -0.73 107.32 107.36 3mpf s GLY 137 Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.11 3mpf s GLY 137 CO -0.08 -0.58 -0.07 -1.34 0.00 0.00 0.00 173.10 171.03 3mpf s VAL 138 N -1.57 0.78 -0.71 1.40 -7.23 0.10 -3.84 120.40 109.34 3mpf s VAL 138 Ca 0.38 -1.90 -0.24 0.00 -1.81 0.00 0.00 61.98 58.41 3mpf s VAL 138 Cb -0.13 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.23 3mpf s VAL 138 CO 0.25 -0.81 1.08 -0.62 -0.31 0.00 0.00 175.10 174.69 3mpf s ASP 139 N -2.96 6.20 0.00 4.85 2.15 0.14 -1.13 116.67 125.92 3mpf s ASP 139 Ca 0.11 -0.89 0.23 0.00 0.43 0.00 0.00 52.55 52.43 3mpf s ASP 139 Cb 0.04 -2.47 0.61 0.00 -0.30 0.00 0.00 42.92 40.80 3mpf s ASP 139 CO -0.03 -1.55 1.52 0.00 -0.17 0.00 0.00 175.17 174.94 3mpf n ALA 140 N 8.20 2.38 -1.79 3.66 0.00 -1.26 -4.73 120.51 126.97 3mpf n ALA 140 Ca 0.01 -1.25 -0.38 0.00 0.00 0.00 0.00 53.44 51.82 3mpf n ALA 140 Cb 0.47 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 3mpf n ALA 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mpf n ARG 141 N 1.64 4.16 -3.73 0.00 1.74 -1.26 -4.70 116.66 114.52 3mpf n ARG 141 Ca 0.24 -3.05 -0.12 0.00 -0.77 0.00 0.00 57.85 54.14 3mpf n ARG 141 Cb 0.62 -2.60 -0.13 0.00 -1.02 0.00 0.00 32.46 29.33 3mpf n ARG 141 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3mpf s HIS 142 N -0.52 -0.35 0.38 -1.55 3.76 -1.26 -5.04 115.29 110.70 3mpf s HIS 142 Ca 0.58 0.83 0.15 0.00 -0.15 0.00 0.00 55.06 56.47 3mpf s HIS 142 Cb 0.21 0.07 1.00 0.00 1.11 0.00 0.00 32.58 34.96 3mpf s HIS 142 CO -0.10 -0.24 1.80 -1.35 -0.85 0.00 0.00 174.74 174.00 3mpf h PRO 143 N 7.17 0.48 -0.51 8.40 0.11 -1.99 -0.06 132.00 145.60 3mpf h PRO 143 Ca -0.40 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.75 3mpf h PRO 143 Cb 1.16 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3mpf h PRO 143 CO 0.37 0.32 0.34 0.66 -0.21 0.00 0.00 178.00 179.48 3mpf h SER 144 N 0.50 0.37 0.21 -2.05 4.64 -1.96 0.20 113.55 115.47 3mpf h SER 144 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 3mpf h SER 144 Cb 1.23 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3mpf h SER 144 CO -0.28 0.24 -0.10 0.15 -0.87 0.00 0.00 176.83 175.97 3mpf h PHE 145 N 0.42 -0.26 -0.00 4.77 3.57 -1.32 -2.58 116.94 121.53 3mpf h PHE 145 Ca 0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3mpf h PHE 145 Cb 0.34 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3mpf h PHE 145 CO -0.00 0.11 -0.07 1.97 -2.23 0.00 0.00 178.31 178.09 3mpf n PHE 146 N -5.03 0.00 1.21 0.41 -1.74 -1.05 -2.47 117.46 108.79 3mpf n PHE 146 Ca -0.09 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 56.93 3mpf n PHE 146 Cb 0.26 -0.35 0.31 0.00 1.52 0.00 0.00 39.48 41.21 3mpf n PHE 146 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3mpf n LEU 147 N -1.34 1.27 -4.68 5.98 4.32 0.69 -4.94 117.00 118.30 3mpf n LEU 147 Ca 0.10 -0.38 -0.45 0.00 -0.02 0.00 0.00 56.01 55.27 3mpf n LEU 147 Cb 0.30 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 41.98 3mpf n LEU 147 CO 0.26 0.23 1.11 0.00 -1.22 0.00 0.00 177.39 177.77 3mpf n TYR 148 N -0.46 2.28 -0.04 -1.77 4.19 -0.97 -4.92 117.16 115.46 3mpf n TYR 148 Ca 0.12 0.35 -0.08 0.00 3.31 0.00 0.00 57.90 61.60 3mpf n TYR 148 Cb 0.37 -2.51 -0.03 0.00 0.49 0.00 0.00 39.34 37.67 3mpf n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3mpf n ARG 149 N 2.56 0.17 -3.83 2.98 5.12 -1.26 -3.09 116.66 119.31 3mpf n ARG 149 Ca 0.13 0.07 -0.07 0.00 -1.93 0.00 0.00 57.85 56.06 3mpf n ARG 149 Cb 0.31 -0.80 -0.02 0.00 -1.16 0.00 0.00 32.46 30.79 3mpf n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mpf s SER 150 N -5.68 -0.26 0.00 0.55 1.04 -1.26 -3.34 113.70 104.75 3mpf s SER 150 Ca -0.11 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3mpf s SER 150 Cb 0.04 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3mpf s SER 150 CO 0.14 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3mpf n GLY 151 N -0.46 -1.84 3.57 7.32 0.00 -1.26 -4.80 105.19 107.72 3mpf n GLY 151 Ca -0.05 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3mpf n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mpf s VAL 152 N 0.00 5.08 -0.05 1.61 1.01 -1.26 -4.19 120.40 122.60 3mpf s VAL 152 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 3mpf s VAL 152 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3mpf s VAL 152 CO 0.00 -0.11 1.28 -0.47 0.00 0.00 0.00 175.10 175.81 3mpf s TYR 153 N 2.26 3.02 -0.03 5.22 5.04 0.16 -4.83 117.35 128.18 3mpf s TYR 153 Ca 0.17 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 3mpf s TYR 153 Cb -0.16 -3.52 0.03 0.00 0.35 0.00 0.00 41.96 38.66 3mpf s TYR 153 CO 0.12 -1.79 0.00 -0.47 -1.34 0.00 0.00 175.55 172.08 3mpf s TYR 154 N 2.44 0.34 -0.24 4.97 5.04 -1.26 -1.30 117.35 127.33 3mpf s TYR 154 Ca 0.59 -0.00 -0.01 0.00 -2.44 0.00 0.00 57.07 55.21 3mpf s TYR 154 Cb -0.27 -0.46 0.07 0.00 0.35 0.00 0.00 41.96 41.65 3mpf s TYR 154 CO 0.23 -0.16 0.02 -2.00 -1.34 0.00 0.00 175.55 172.30 3mpf s GLU 155 N 1.21 1.02 0.52 4.97 2.56 -1.26 -5.02 118.70 122.70 3mpf s GLU 155 Ca -0.07 -0.82 0.25 0.00 0.00 0.00 0.00 54.97 54.33 3mpf s GLU 155 Cb -0.13 -2.28 1.38 0.00 2.00 0.00 0.00 34.13 35.09 3mpf s GLU 155 CO -0.02 -0.72 1.99 -1.35 -0.56 0.00 0.00 175.26 174.60 3mpf h PRO 156 N 8.09 0.02 -0.01 4.30 0.11 -2.04 -1.68 132.00 140.79 3mpf h PRO 156 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3mpf h PRO 156 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3mpf h PRO 156 CO 0.40 0.02 -0.01 0.43 -0.21 0.00 0.00 178.00 178.62 3mpf n SER 157 N -4.38 0.60 -4.76 -2.05 7.64 -1.26 -4.92 113.62 104.48 3mpf n SER 157 Ca 0.10 -1.11 -0.37 0.00 1.01 0.00 0.00 58.87 58.50 3mpf n SER 157 Cb 0.61 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 3mpf n SER 157 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mpf s THR 159 N -1.53 2.15 -2.32 0.00 -4.23 -1.26 -4.73 115.64 103.71 3mpf s THR 159 Ca 0.68 -1.77 0.23 0.00 -1.18 0.00 0.00 61.69 59.65 3mpf s THR 159 Cb -0.31 -2.92 0.49 0.00 1.34 0.00 0.00 72.50 71.11 3mpf s THR 159 CO 0.36 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 176.06 3mpf n GLN 160 N -1.20 1.68 -3.05 3.99 6.02 -1.26 -2.70 117.38 120.86 3mpf n GLN 160 Ca -0.03 -1.01 -0.42 0.00 -0.01 0.00 0.00 57.00 55.53 3mpf n GLN 160 Cb 0.65 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 3mpf n GLN 160 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3mpf s ASN 161 N -1.69 6.42 0.32 1.08 0.02 -1.26 -4.42 114.94 115.41 3mpf s ASN 161 Ca 0.34 0.01 -0.11 0.00 -1.02 0.00 0.00 52.86 52.07 3mpf s ASN 161 Cb 0.18 -2.35 -0.07 0.00 0.02 0.00 0.00 41.25 39.03 3mpf s ASN 161 CO 0.28 -0.74 0.68 0.68 0.02 0.00 0.00 177.10 178.03 3mpf s VAL 162 N 2.95 4.81 0.00 1.60 -7.23 -1.26 -4.23 120.40 117.03 3mpf s VAL 162 Ca 0.27 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 3mpf s VAL 162 Cb -0.14 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.14 3mpf s VAL 162 CO 0.18 -0.27 0.24 -0.46 -0.31 0.00 0.00 175.10 174.48 3mpf n ASN 163 N -0.65 0.00 -3.67 4.85 0.23 -0.28 -4.90 115.26 110.84 3mpf n ASN 163 Ca 0.02 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.98 3mpf n ASN 163 Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 3mpf n ASN 163 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3mpf s HIS 164 N 0.00 -0.74 -0.01 -2.53 5.04 -0.90 -4.90 115.29 111.25 3mpf s HIS 164 Ca 0.00 1.46 -0.25 0.00 -1.54 0.00 0.00 55.06 54.73 3mpf s HIS 164 Cb 0.00 0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.88 3mpf s HIS 164 CO 0.00 -0.43 0.76 0.20 -2.34 0.00 0.00 174.74 172.93 3mpf s GLY 165 N 2.16 2.73 0.32 1.59 0.00 -1.26 -0.72 107.32 112.14 3mpf s GLY 165 Ca -0.05 0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.97 3mpf s GLY 165 CO -0.13 1.21 0.31 -1.34 0.00 0.00 0.00 173.10 173.15 3mpf s VAL 166 N 0.47 0.00 -0.11 1.40 -7.23 0.09 -4.48 120.40 110.55 3mpf s VAL 166 Ca 0.40 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3mpf s VAL 166 Cb -0.19 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.24 3mpf s VAL 166 CO 0.21 0.00 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.66 3mpf s LEU 167 N -3.33 1.52 -0.42 1.32 2.96 -0.88 -1.40 118.68 118.45 3mpf s LEU 167 Ca 0.39 -0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 3mpf s LEU 167 Cb 0.02 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.74 3mpf s LEU 167 CO 0.25 -0.04 0.92 -0.69 -1.32 0.00 0.00 176.35 175.47 3mpf s VAL 168 N 1.30 4.52 -1.81 1.68 1.01 -0.07 0.09 120.40 127.12 3mpf s VAL 168 Ca -0.01 0.95 0.17 0.00 0.00 0.00 0.00 61.98 63.08 3mpf s VAL 168 Cb -0.14 -4.39 0.27 0.00 0.00 0.00 0.00 36.38 32.13 3mpf s VAL 168 CO -0.05 -0.70 1.18 1.33 0.00 0.00 0.00 175.10 176.86 3mpf n VAL 169 N 6.22 0.42 -3.01 2.92 0.24 0.12 -1.59 118.33 123.66 3mpf n VAL 169 Ca 0.07 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3mpf n VAL 169 Cb 0.48 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3mpf n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mpf n GLY 170 N 0.98 -1.36 3.70 7.63 0.00 -1.16 -1.15 105.19 113.83 3mpf n GLY 170 Ca 0.13 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3mpf n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mpf s TYR 171 N -2.88 -0.24 -0.79 1.61 -0.85 -0.35 -0.57 117.35 113.28 3mpf s TYR 171 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 3mpf s TYR 171 Cb 0.00 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3mpf s TYR 171 CO 0.00 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 173.34 3mpf n GLY 172 N -0.42 -0.69 3.08 5.49 0.00 -0.83 -0.86 105.19 110.97 3mpf n GLY 172 Ca -0.08 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3mpf n GLY 172 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mpf s ASP 173 N -4.00 -0.10 -0.41 1.61 -4.77 -1.26 -0.88 116.67 106.86 3mpf s ASP 173 Ca 0.00 0.12 -0.06 0.00 -3.30 0.00 0.00 52.55 49.31 3mpf s ASP 173 Cb 0.00 0.30 0.10 0.00 -1.09 0.00 0.00 42.92 42.23 3mpf s ASP 173 CO 0.00 -0.20 0.23 -0.22 0.70 0.00 0.00 175.17 175.68 3mpf s LEU 174 N -0.56 5.18 -1.52 2.11 0.20 0.45 -4.66 118.68 119.89 3mpf s LEU 174 Ca -0.07 -1.78 -0.08 0.00 0.69 0.00 0.00 54.13 52.89 3mpf s LEU 174 Cb -0.04 -1.90 0.07 0.00 -0.43 0.00 0.00 46.19 43.89 3mpf s LEU 174 CO 0.01 -0.55 0.63 0.59 -0.29 0.00 0.00 176.35 176.75 3mpf n ASN 175 N 4.75 -1.97 0.00 3.68 3.02 -1.26 -1.44 115.26 122.04 3mpf n ASN 175 Ca -0.07 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3mpf n ASN 175 Cb 0.42 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 3mpf n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mpf n GLY 176 N -1.73 3.29 3.57 7.41 0.00 -1.26 -5.01 105.19 111.46 3mpf n GLY 176 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3mpf n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mpf s LYS 177 N -0.71 3.46 0.35 1.61 -0.14 -0.52 -5.01 119.74 118.79 3mpf s LYS 177 Ca 0.00 0.14 -0.27 0.00 -1.36 0.00 0.00 55.97 54.48 3mpf s LYS 177 Cb 0.00 -4.03 -0.09 0.00 -1.68 0.00 0.00 37.83 32.03 3mpf s LYS 177 CO 0.00 -1.68 1.14 -1.21 -0.76 0.00 0.00 175.35 172.83 3mpf s GLU 178 N 4.85 4.30 0.06 1.68 2.02 -1.26 -0.41 118.70 129.94 3mpf s GLU 178 Ca 0.40 1.80 -0.04 0.00 0.02 0.00 0.00 54.97 57.16 3mpf s GLU 178 Cb -0.08 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 3mpf s GLU 178 CO 0.24 -0.10 0.05 1.52 0.02 0.00 0.00 175.26 176.99 3mpf s TYR 179 N -1.35 0.36 -0.13 1.61 -0.85 -0.06 -1.49 117.35 115.44 3mpf s TYR 179 Ca 0.52 -0.83 -0.10 0.00 -0.52 0.00 0.00 57.07 56.15 3mpf s TYR 179 Cb -0.30 -0.25 -0.05 0.00 0.38 0.00 0.00 41.96 41.74 3mpf s TYR 179 CO 0.39 -0.42 0.19 -1.58 -1.52 0.00 0.00 175.55 172.61 3mpf s TRP 180 N -3.63 3.55 -0.38 -3.49 0.52 0.11 -1.96 118.94 113.66 3mpf s TRP 180 Ca 0.04 0.54 -0.20 0.00 0.02 0.00 0.00 56.10 56.50 3mpf s TRP 180 Cb 0.05 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.28 3mpf s TRP 180 CO -0.09 0.54 0.61 -1.17 0.02 0.00 0.00 176.95 176.86 3mpf s LEU 181 N -0.46 4.35 -0.14 2.99 2.96 0.26 -1.16 118.68 127.48 3mpf s LEU 181 Ca 0.14 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3mpf s LEU 181 Cb -0.12 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.85 3mpf s LEU 181 CO 0.04 -0.62 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.57 3mpf s VAL 182 N 2.66 2.38 -0.20 1.68 1.01 -0.32 -0.70 120.40 126.90 3mpf s VAL 182 Ca 0.22 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 3mpf s VAL 182 Cb -0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3mpf s VAL 182 CO 0.16 0.53 0.67 -0.75 0.00 0.00 0.00 175.10 175.71 3mpf s LYS 183 N 0.78 4.21 0.49 2.72 2.20 0.11 -1.15 119.74 129.11 3mpf s LYS 183 Ca -0.07 0.68 0.09 0.00 -0.36 0.00 0.00 55.97 56.31 3mpf s LYS 183 Cb -0.16 -3.59 0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3mpf s LYS 183 CO -0.00 -0.30 0.65 1.21 -0.36 0.00 0.00 175.35 176.55 3mpf s ASN 184 N 1.24 5.35 -0.31 1.43 3.04 -0.97 -2.08 114.94 122.65 3mpf s ASN 184 Ca 0.30 -0.65 0.08 0.00 0.04 0.00 0.00 52.86 52.63 3mpf s ASN 184 Cb -0.16 -0.21 0.46 0.00 -1.54 0.00 0.00 41.25 39.81 3mpf s ASN 184 CO 0.10 -1.02 1.17 -1.54 -3.04 0.00 0.00 177.10 172.78 3mpf n SER 185 N -2.00 4.55 -1.23 -4.21 3.41 -1.26 -4.48 113.62 108.40 3mpf n SER 185 Ca 0.11 -3.58 -0.03 0.00 -0.26 0.00 0.00 58.87 55.11 3mpf n SER 185 Cb 0.60 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 64.40 3mpf n SER 185 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3mpf n TRP 186 N -0.66 1.30 0.00 7.33 8.01 -1.20 -0.62 117.44 131.60 3mpf n TRP 186 Ca 0.40 -1.42 0.00 0.00 -1.31 0.00 0.00 57.50 55.16 3mpf n TRP 186 Cb 0.92 -0.50 0.00 0.00 -2.01 0.00 0.00 31.31 29.72 3mpf n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mpf n GLY 187 N -0.93 -1.95 0.17 6.99 0.00 -0.19 -4.20 105.19 105.07 3mpf n GLY 187 Ca 0.33 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.94 3mpf n GLY 187 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mpf n HIS 188 N -2.37 0.06 0.92 1.61 1.44 -1.26 -2.87 115.22 112.75 3mpf n HIS 188 Ca 0.00 -0.03 0.11 0.00 -2.01 0.00 0.00 57.72 55.78 3mpf n HIS 188 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 3mpf n HIS 188 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3mpf n ASN 189 N -0.44 0.79 -4.73 4.39 5.03 -1.26 -3.39 115.26 115.64 3mpf n ASN 189 Ca 0.15 -0.69 -0.41 0.00 0.87 0.00 0.00 54.58 54.49 3mpf n ASN 189 Cb 0.15 0.82 -0.03 0.00 -1.02 0.00 0.00 39.78 39.69 3mpf n ASN 189 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3mpf s PHE 190 N -3.04 3.47 0.00 3.10 2.19 -1.14 -4.84 117.98 117.72 3mpf s PHE 190 Ca 0.08 1.45 0.00 0.00 0.33 0.00 0.00 56.93 58.79 3mpf s PHE 190 Cb 0.16 -3.39 0.00 0.00 -1.31 0.00 0.00 43.02 38.48 3mpf s PHE 190 CO 0.82 -1.06 0.00 0.41 1.83 0.00 0.00 175.22 177.22 3mpf n GLY 191 N 2.30 2.97 3.40 13.12 0.00 -1.18 0.22 105.19 126.01 3mpf n GLY 191 Ca 0.05 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 3mpf n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mpf s GLU 192 N 0.00 3.91 -1.46 1.61 2.02 0.21 -4.49 118.70 120.50 3mpf s GLU 192 Ca 0.00 -2.56 -0.07 0.00 0.02 0.00 0.00 54.97 52.36 3mpf s GLU 192 Cb 0.00 -4.76 0.03 0.00 0.10 0.00 0.00 34.13 29.51 3mpf s GLU 192 CO 0.00 -1.52 0.66 0.39 0.02 0.00 0.00 175.26 174.81 3mpf n GLU 193 N 4.66 -4.85 0.00 1.61 -0.58 -1.24 -2.14 120.64 118.11 3mpf n GLU 193 Ca 0.25 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 3mpf n GLU 193 Cb 0.44 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.71 3mpf n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mpf n GLY 194 N -1.49 0.31 3.64 0.62 0.00 0.13 -4.66 105.19 103.74 3mpf n GLY 194 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 3mpf n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mpf s TYR 195 N -2.00 2.71 -0.03 1.61 1.51 -0.91 -2.29 117.35 117.95 3mpf s TYR 195 Ca 0.00 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3mpf s TYR 195 Cb 0.00 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3mpf s TYR 195 CO 0.00 0.60 -0.06 -1.50 -1.11 0.00 0.00 175.55 173.48 3mpf s ILE 196 N -2.19 0.60 -0.33 2.71 2.07 -0.30 -0.62 121.20 123.14 3mpf s ILE 196 Ca 0.30 -0.22 -0.17 0.00 -1.41 0.00 0.00 60.65 59.16 3mpf s ILE 196 Cb -0.07 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 3mpf s ILE 196 CO 0.19 0.21 0.45 -0.13 -1.91 0.00 0.00 174.94 173.75 3mpf s ARG 197 N 0.50 3.68 -0.01 3.50 0.52 -1.26 -1.17 118.95 124.70 3mpf s ARG 197 Ca -0.07 -0.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3mpf s ARG 197 Cb -0.11 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 3mpf s ARG 197 CO 0.00 -0.54 -0.08 -1.64 0.02 0.00 0.00 175.30 173.06 3mpf s MET 198 N 2.23 2.56 0.13 3.54 -1.94 -0.31 0.40 119.30 125.91 3mpf s MET 198 Ca 0.16 -0.70 -0.35 0.00 -1.71 0.00 0.00 55.69 53.09 3mpf s MET 198 Cb -0.16 -2.49 -0.15 0.00 2.01 0.00 0.00 34.83 34.04 3mpf s MET 198 CO 0.12 0.61 1.49 0.00 -0.01 0.00 0.00 175.02 177.24 3mpf n ALA 199 N 1.71 0.50 -2.56 3.03 0.00 -0.42 0.09 120.51 122.87 3mpf n ALA 199 Ca -0.16 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 3mpf n ALA 199 Cb 0.53 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 3mpf n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3mpf s ARG 200 N 0.80 2.28 -1.47 0.00 3.52 -0.55 -4.59 118.95 118.95 3mpf s ARG 200 Ca 0.81 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 55.43 3mpf s ARG 200 Cb -0.78 -2.36 0.03 0.00 -1.56 0.00 0.00 34.95 30.28 3mpf s ARG 200 CO 0.41 0.55 0.79 0.09 -0.81 0.00 0.00 175.30 176.34 3mpf n ASN 201 N 1.22 -5.61 -2.48 -2.12 3.02 -1.26 -4.63 115.26 103.38 3mpf n ASN 201 Ca -0.15 -0.45 -0.26 0.00 -0.03 0.00 0.00 54.58 53.70 3mpf n ASN 201 Cb 0.52 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 3mpf n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mpf n LYS 202 N -4.34 3.32 -2.95 3.52 4.76 -1.26 -4.94 118.16 116.27 3mpf n LYS 202 Ca -0.04 -4.45 -0.11 0.00 -2.87 0.00 0.00 58.31 50.84 3mpf n LYS 202 Cb 0.58 -2.20 0.05 0.00 -1.84 0.00 0.00 35.03 31.62 3mpf n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mpf n GLY 203 N -0.46 0.01 3.52 0.72 0.00 -1.26 -3.52 105.19 104.19 3mpf n GLY 203 Ca 0.38 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 3mpf n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mpf n ASN 204 N -1.85 -2.61 -4.68 1.61 5.15 -1.26 -4.86 115.26 106.75 3mpf n ASN 204 Ca -0.11 -0.73 -0.45 0.00 -0.60 0.00 0.00 54.58 52.70 3mpf n ASN 204 Cb 0.58 -4.65 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 3mpf n ASN 204 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3mpf n HIS 205 N -4.05 2.47 -1.66 1.20 -0.00 -1.23 -1.36 115.22 110.59 3mpf n HIS 205 Ca -0.25 0.02 -0.21 0.00 -0.00 0.00 0.00 57.72 57.28 3mpf n HIS 205 Cb 0.66 -2.66 -0.09 0.00 -0.00 0.00 0.00 29.99 27.91 3mpf n HIS 205 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mpf n GLY 207 N -0.43 1.15 0.36 0.00 0.00 -0.47 -0.68 105.19 105.12 3mpf n GLY 207 Ca -0.21 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.46 3mpf n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mpf h ILE 208 N 0.00 0.93 -0.59 -0.61 2.10 -1.61 -1.00 117.51 116.73 3mpf h ILE 208 Ca -0.26 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3mpf h ILE 208 Cb 0.85 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3mpf h ILE 208 CO 0.36 0.11 0.00 0.00 -1.08 0.00 0.00 178.15 177.54 3mpf n ALA 209 N -2.48 2.90 0.00 0.18 0.00 -1.26 -4.54 120.51 115.31 3mpf n ALA 209 Ca 0.12 -1.59 -0.13 0.00 0.00 0.00 0.00 53.44 51.84 3mpf n ALA 209 Cb 0.34 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 3mpf n ALA 209 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mpf h SER 210 N 3.67 -0.02 -2.02 0.00 0.02 -1.47 0.25 113.55 113.99 3mpf h SER 210 Ca 0.00 -0.37 -0.55 0.00 -0.84 0.00 0.00 61.79 60.03 3mpf h SER 210 Cb 1.33 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.48 3mpf h SER 210 CO 0.18 0.37 -1.07 0.49 -1.14 0.00 0.00 176.83 175.66 3mpf n PHE 211 N -4.92 0.13 -2.88 3.45 3.72 -1.26 -4.14 117.46 111.56 3mpf n PHE 211 Ca -0.08 -3.66 -0.34 0.00 -0.05 0.00 0.00 57.45 53.32 3mpf n PHE 211 Cb 0.20 -0.38 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 3mpf n PHE 211 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3mpf s PRO 212 N -1.52 4.30 0.06 -1.08 0.02 -1.26 -4.09 135.00 131.43 3mpf s PRO 212 Ca 0.36 1.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.28 3mpf s PRO 212 Cb 0.20 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 32.31 3mpf s PRO 212 CO -0.10 0.12 0.47 -1.54 -0.33 0.00 0.00 177.00 175.62 3mpf s SER 213 N -1.99 -0.36 -0.03 2.53 1.04 0.01 -1.43 113.70 113.46 3mpf s SER 213 Ca 0.56 0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.93 3mpf s SER 213 Cb -0.12 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3mpf s SER 213 CO 0.17 -0.73 0.22 -0.72 0.98 0.00 0.00 173.24 173.17 3mpf s TYR 214 N -2.69 -0.13 0.51 5.02 1.13 -0.59 -0.62 117.35 119.98 3mpf s TYR 214 Ca -0.04 0.25 -0.02 0.00 -1.41 0.00 0.00 57.07 55.85 3mpf s TYR 214 Cb -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3mpf s TYR 214 CO -0.04 -0.26 0.76 -1.25 -2.51 0.00 0.00 175.55 172.25 3mpf s PRO 215 N -0.84 3.00 0.03 -3.49 0.04 -1.26 -0.76 135.00 131.72 3mpf s PRO 215 Ca -0.09 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 60.65 3mpf s PRO 215 Cb -0.05 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3mpf s PRO 215 CO 0.02 -0.44 -0.05 -1.21 0.04 0.00 0.00 177.00 175.36 3mpf s GLU 216 N -4.72 0.40 -0.30 4.56 2.02 -0.30 -4.94 118.70 115.41 3mpf s GLU 216 Ca 0.51 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.79 3mpf s GLU 216 Cb -0.10 -0.02 0.05 0.00 0.10 0.00 0.00 34.13 34.15 3mpf s GLU 216 CO 0.41 -0.02 0.01 0.42 0.02 0.00 0.00 175.26 176.10 3mpf s ILE 217 N -1.53 3.09 0.05 -1.63 1.01 -1.26 -1.03 121.20 119.90 3mpf s ILE 217 Ca -0.13 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.23 3mpf s ILE 217 Cb -0.09 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3mpf s ILE 217 CO -0.01 -0.10 -0.03 -0.76 0.00 0.00 0.00 174.94 174.04 3mpf s LEU 218 N 1.28 3.37 0.00 2.97 1.43 -1.26 -4.97 118.68 121.49 3mpf s LEU 218 Ca -0.05 -0.15 0.31 0.00 -1.03 0.00 0.00 54.13 53.21 3mpf s LEU 218 Cb -0.20 -2.03 1.59 0.00 0.03 0.00 0.00 46.19 45.59 3mpf s LEU 218 CO -0.01 0.22 2.05 0.00 0.23 0.00 0.00 176.35 178.85