#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fye s PRO 2 N 0.00 1.59 0.45 3.23 0.04 -1.26 -4.90 135.00 134.16 2fye s PRO 2 Ca 0.00 1.49 0.21 0.00 0.04 0.00 0.00 61.00 62.74 2fye s PRO 2 Cb 0.00 -1.80 1.07 0.00 0.04 0.00 0.00 34.50 33.82 2fye s PRO 2 CO 0.00 -2.19 1.93 -0.44 0.04 0.00 0.00 177.00 176.34 2fye h ASP 3 N -1.33 0.00 -5.00 6.66 3.32 -2.03 -3.44 116.42 114.60 2fye h ASP 3 Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 2fye h ASP 3 Cb 1.26 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.62 2fye h ASP 3 CO 0.46 0.23 -0.15 -0.94 -1.72 0.00 0.00 179.24 177.12 2fye s SER 4 N -6.46 -0.30 0.00 6.45 1.04 -1.26 -4.55 113.70 108.61 2fye s SER 4 Ca -0.02 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2fye s SER 4 Cb 0.13 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2fye s SER 4 CO 0.65 -0.52 -0.05 -0.69 0.98 0.00 0.00 173.24 173.61 2fye s VAL 5 N -1.48 0.37 -0.34 5.02 1.01 0.43 -4.95 120.40 120.46 2fye s VAL 5 Ca -0.12 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2fye s VAL 5 Cb -0.03 -0.33 0.14 0.00 0.00 0.00 0.00 36.38 36.16 2fye s VAL 5 CO 0.04 0.03 0.31 -0.62 0.00 0.00 0.00 175.10 174.86 2fye s ASP 6 N -0.31 1.78 0.32 3.32 -1.08 -1.26 -0.86 116.67 118.59 2fye s ASP 6 Ca -0.00 -1.41 0.21 0.00 -0.52 0.00 0.00 52.55 50.82 2fye s ASP 6 Cb -0.03 0.32 1.12 0.00 -1.46 0.00 0.00 42.92 42.87 2fye s ASP 6 CO -0.00 -0.32 1.62 0.79 0.52 0.00 0.00 175.17 177.78 2fye n TRP 7 N 4.60 0.70 -0.10 -5.34 7.02 -0.21 -1.28 117.44 122.84 2fye n TRP 7 Ca 0.06 0.36 -0.11 0.00 -1.02 0.00 0.00 57.50 56.79 2fye n TRP 7 Cb 0.44 -1.06 0.02 0.00 -2.42 0.00 0.00 31.31 28.29 2fye n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2fye h ARG 8 N 0.00 0.85 0.00 -0.99 3.08 -1.93 -2.18 114.38 113.21 2fye h ARG 8 Ca 0.00 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 2fye h ARG 8 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2fye h ARG 8 CO 0.00 1.07 -0.01 0.93 -1.07 0.00 0.00 179.97 180.89 2fye h GLU 9 N 0.70 0.00 -0.34 0.04 5.08 -1.59 0.17 114.58 118.64 2fye h GLU 9 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2fye h GLU 9 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2fye h GLU 9 CO 0.09 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.73 2fye n LYS 10 N -4.14 1.78 -3.81 2.33 4.76 -0.87 -4.92 118.16 113.30 2fye n LYS 10 Ca -0.03 -1.22 -0.28 0.00 -2.87 0.00 0.00 58.31 53.91 2fye n LYS 10 Cb 0.09 -1.27 0.04 0.00 -1.84 0.00 0.00 35.03 32.06 2fye n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fye n GLY 11 N 1.04 -0.51 0.53 0.72 0.00 0.59 -4.88 105.19 102.68 2fye n GLY 11 Ca 0.11 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.40 2fye n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fye s VAL 13 N -0.97 1.42 0.92 0.00 1.01 -1.26 -3.73 120.40 117.79 2fye s VAL 13 Ca 0.19 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2fye s VAL 13 Cb 0.10 -1.31 0.15 0.00 0.00 0.00 0.00 36.38 35.33 2fye s VAL 13 CO 0.13 0.43 1.23 0.42 0.00 0.00 0.00 175.10 177.31 2fye s THR 14 N 0.95 1.97 0.60 3.92 -4.23 -1.26 -4.98 115.64 112.62 2fye s THR 14 Ca -0.08 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.24 2fye s THR 14 Cb -0.15 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2fye s THR 14 CO -0.01 0.00 1.16 -0.62 -0.54 0.00 0.00 174.62 174.61 2fye n GLU 15 N -3.68 1.15 -2.10 3.99 4.71 -1.26 -4.92 120.64 118.53 2fye n GLU 15 Ca 0.11 0.44 -0.42 0.00 -0.01 0.00 0.00 57.16 57.28 2fye n GLU 15 Cb 0.60 -2.37 -0.03 0.00 -1.01 0.00 0.00 31.44 28.63 2fye n GLU 15 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2fye s VAL 16 N -1.41 3.00 0.36 2.62 1.01 -1.26 -5.01 120.40 119.70 2fye s VAL 16 Ca 0.77 0.77 0.07 0.00 0.00 0.00 0.00 61.98 63.59 2fye s VAL 16 Cb -0.41 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2fye s VAL 16 CO 0.45 0.09 0.49 -0.54 0.00 0.00 0.00 175.10 175.60 2fye s LYS 17 N 0.37 3.03 -0.19 2.72 -0.14 -1.26 -4.71 119.74 119.56 2fye s LYS 17 Ca 0.62 -1.08 0.01 0.00 -1.36 0.00 0.00 55.97 54.16 2fye s LYS 17 Cb -0.39 -2.80 0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2fye s LYS 17 CO 0.36 -0.03 -0.14 -0.47 -0.76 0.00 0.00 175.35 174.31 2fye s TYR 18 N -2.23 2.62 -0.26 3.18 5.04 -1.26 -1.27 117.35 123.17 2fye s TYR 18 Ca 0.48 -1.65 0.25 0.00 -2.44 0.00 0.00 57.07 53.71 2fye s TYR 18 Cb -0.10 -1.77 0.60 0.00 0.35 0.00 0.00 41.96 41.05 2fye s TYR 18 CO 0.31 -0.77 1.70 -0.56 -1.34 0.00 0.00 175.55 174.89 2fye h GLN 19 N 7.95 0.00 0.00 4.97 3.07 -1.59 -3.47 115.11 126.03 2fye h GLN 19 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.39 2fye h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 2fye h GLN 19 CO 0.54 0.04 0.00 0.41 0.09 0.00 0.00 178.83 179.91 2fye n GLY 20 N 0.80 2.16 0.15 0.06 0.00 -1.26 -2.82 105.19 104.28 2fye n GLY 20 Ca 0.03 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2fye n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fye n SER 21 N 0.33 0.68 -4.70 1.61 7.64 -1.26 -4.67 113.62 113.25 2fye n SER 21 Ca 0.00 0.70 -0.38 0.00 1.01 0.00 0.00 58.87 60.21 2fye n SER 21 Cb 0.00 -0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 2fye n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fye n GLY 23 N 3.64 3.52 1.64 0.00 0.00 -0.94 -4.65 105.19 108.39 2fye n GLY 23 Ca -0.09 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 2fye n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fye n ALA 24 N 1.88 4.27 -0.30 4.61 0.00 -1.26 -3.97 120.51 125.73 2fye n ALA 24 Ca 0.45 -1.21 0.07 0.00 0.00 0.00 0.00 53.44 52.75 2fye n ALA 24 Cb 0.78 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 19.22 2fye n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fye h TRP 26 N 0.71 0.72 -0.27 0.00 5.08 -1.79 -0.99 115.95 119.40 2fye h TRP 26 Ca 0.46 0.02 -0.11 0.00 1.08 0.00 0.00 58.89 60.34 2fye h TRP 26 Cb 0.59 -0.24 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 2fye h TRP 26 CO -0.07 0.38 -0.26 0.00 -1.28 0.00 0.00 178.44 177.21 2fye h ALA 27 N 1.62 0.40 -0.46 0.11 0.00 -1.26 -2.45 119.26 117.22 2fye h ALA 27 Ca 0.31 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2fye h ALA 27 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2fye h ALA 27 CO -0.10 0.38 -0.10 0.74 0.00 0.00 0.00 179.25 180.18 2fye h PHE 28 N 0.38 0.91 -0.58 0.00 0.04 -0.88 -2.08 116.94 114.73 2fye h PHE 28 Ca 0.04 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 2fye h PHE 28 Cb 0.82 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 2fye h PHE 28 CO 0.07 0.89 0.25 1.03 -0.60 0.00 0.00 178.31 179.95 2fye h SER 29 N 0.75 0.78 0.11 2.17 0.87 -1.17 -1.18 113.55 115.88 2fye h SER 29 Ca 0.13 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2fye h SER 29 Cb 0.59 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2fye h SER 29 CO 0.04 0.72 -0.05 0.00 -0.53 0.00 0.00 176.83 177.01 2fye h ALA 30 N 1.09 -0.14 -0.91 6.23 0.00 -1.26 -2.68 119.26 121.59 2fye h ALA 30 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2fye h ALA 30 Cb 0.17 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2fye h ALA 30 CO -0.02 -0.42 0.54 -0.39 0.00 0.00 0.00 179.25 178.97 2fye h VAL 31 N -0.47 1.25 -0.59 0.00 -1.51 -1.37 -2.10 116.25 111.47 2fye h VAL 31 Ca -0.01 -0.55 0.07 0.00 -1.23 0.00 0.00 66.70 64.97 2fye h VAL 31 Cb 0.39 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.46 2fye h VAL 31 CO 0.02 0.27 0.28 1.23 -1.23 0.00 0.00 177.57 178.14 2fye h GLY 32 N 1.26 0.84 1.03 5.19 0.00 -1.18 0.35 103.07 110.56 2fye h GLY 32 Ca 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2fye h GLY 32 CO -0.06 0.08 0.25 0.00 0.00 0.00 0.00 176.54 176.81 2fye h ALA 33 N 1.34 0.90 -0.17 3.60 0.00 -1.08 -2.90 119.26 120.94 2fye h ALA 33 Ca 0.27 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2fye h ALA 33 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2fye h ALA 33 CO -0.21 0.55 -0.48 1.25 0.00 0.00 0.00 179.25 180.36 2fye h LEU 34 N 1.00 0.49 -1.24 0.00 6.46 -0.64 -3.08 115.31 118.30 2fye h LEU 34 Ca 0.23 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2fye h LEU 34 Cb 0.25 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2fye h LEU 34 CO -0.01 0.89 0.53 -0.33 -0.62 0.00 0.00 178.44 178.89 2fye h GLU 35 N 0.36 0.96 -0.36 1.25 5.08 -0.14 -0.39 114.58 121.35 2fye h GLU 35 Ca 0.02 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2fye h GLU 35 Cb 0.97 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2fye h GLU 35 CO 0.09 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.76 2fye h ALA 36 N 1.53 0.48 -0.11 3.43 0.00 -1.45 -1.91 119.26 121.24 2fye h ALA 36 Ca 0.32 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2fye h ALA 36 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2fye h ALA 36 CO -0.09 0.21 -0.25 1.96 0.00 0.00 0.00 179.25 181.08 2fye h GLN 37 N 0.44 0.19 -0.23 0.00 1.08 -1.39 -0.91 115.11 114.29 2fye h GLN 37 Ca 0.11 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2fye h GLN 37 Cb 0.40 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2fye h GLN 37 CO 0.01 0.43 -0.03 1.25 -0.95 0.00 0.00 178.83 179.54 2fye h LEU 38 N 0.17 0.42 -0.82 1.46 6.46 -0.83 -1.39 115.31 120.78 2fye h LEU 38 Ca 0.03 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 2fye h LEU 38 Cb 0.54 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 2fye h LEU 38 CO 0.04 0.66 0.40 0.50 -0.62 0.00 0.00 178.44 179.42 2fye h LYS 39 N 0.17 1.18 -0.11 1.25 3.11 -1.04 -0.50 116.57 120.62 2fye h LYS 39 Ca 0.06 -0.17 -0.09 0.00 -2.81 0.00 0.00 60.65 57.64 2fye h LYS 39 Cb 0.47 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2fye h LYS 39 CO 0.02 0.91 -0.32 -0.07 -2.81 0.00 0.00 179.45 177.17 2fye h LEU 40 N 1.16 0.22 -0.51 5.20 4.07 -1.01 0.15 115.31 124.59 2fye h LEU 40 Ca 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2fye h LEU 40 Cb 0.12 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.79 2fye h LEU 40 CO -0.04 0.54 -0.68 0.29 -1.08 0.00 0.00 178.44 177.48 2fye n LYS 41 N -4.10 0.64 0.00 1.13 4.01 -0.54 -4.58 118.16 114.71 2fye n LYS 41 Ca -0.01 -0.51 0.00 0.00 -0.51 0.00 0.00 58.31 57.27 2fye n LYS 41 Cb 0.41 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 2fye n LYS 41 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2fye n THR 42 N -0.73 0.00 -0.48 -0.18 -2.24 -0.23 -5.01 114.28 105.41 2fye n THR 42 Ca 0.07 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2fye n THR 42 Cb 0.40 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 2fye n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fye n GLY 43 N 0.08 1.81 3.55 3.38 0.00 0.52 -5.00 105.19 109.54 2fye n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2fye n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fye s LYS 44 N -0.05 3.58 -0.30 1.61 0.00 -1.26 -4.98 119.74 118.34 2fye s LYS 44 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 55.97 55.40 2fye s LYS 44 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 37.83 34.90 2fye s LYS 44 CO 0.00 0.33 0.14 -1.17 0.00 0.00 0.00 175.35 174.65 2fye s LEU 45 N 0.12 4.03 -0.01 2.77 2.96 -1.26 -3.33 118.68 123.96 2fye s LEU 45 Ca 0.00 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2fye s LEU 45 Cb -0.13 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.58 2fye s LEU 45 CO 0.02 -0.18 -0.04 0.68 -1.32 0.00 0.00 176.35 175.51 2fye s VAL 46 N 1.60 0.35 0.03 1.68 -7.23 -1.26 -5.09 120.40 110.47 2fye s VAL 46 Ca 0.04 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.78 2fye s VAL 46 Cb -0.17 -0.33 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 2fye s VAL 46 CO 0.06 0.13 1.45 -0.44 -0.31 0.00 0.00 175.10 175.98 2fye s SER 47 N 0.24 6.80 0.38 4.85 0.01 -1.26 -4.84 113.70 119.88 2fye s SER 47 Ca -0.02 2.21 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 2fye s SER 47 Cb -0.06 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 2fye s SER 47 CO -0.00 -0.75 0.70 -0.76 0.41 0.00 0.00 173.24 172.84 2fye s LEU 48 N 2.30 3.88 -0.43 2.44 1.43 -1.26 0.06 118.68 127.09 2fye s LEU 48 Ca 0.66 0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 54.43 2fye s LEU 48 Cb -0.34 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2fye s LEU 48 CO 0.28 -0.36 1.55 -0.55 0.23 0.00 0.00 176.35 177.50 2fye s SER 49 N -3.31 6.10 0.17 2.29 0.15 -0.52 -4.14 113.70 114.45 2fye s SER 49 Ca 0.48 0.82 0.01 0.00 0.70 0.00 0.00 55.95 57.95 2fye s SER 49 Cb -0.10 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2fye s SER 49 CO 0.33 -1.63 1.40 0.00 1.20 0.00 0.00 173.24 174.54 2fye h ALA 50 N 11.67 0.55 -0.59 5.45 0.00 -1.88 -3.08 119.26 131.38 2fye h ALA 50 Ca -0.29 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2fye h ALA 50 Cb 1.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2fye h ALA 50 CO 1.10 0.84 0.31 0.37 0.00 0.00 0.00 179.25 181.87 2fye h GLN 51 N 0.17 0.82 -0.89 0.00 5.75 -1.84 -1.36 115.11 117.77 2fye h GLN 51 Ca -0.04 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2fye h GLN 51 Cb 1.43 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.76 2fye h GLN 51 CO 0.13 0.62 0.57 -0.97 -2.65 0.00 0.00 178.83 176.53 2fye h ASN 52 N 0.83 0.92 -0.20 -0.69 -0.00 -1.80 -0.59 115.58 114.06 2fye h ASN 52 Ca 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.36 2fye h ASN 52 Cb 0.04 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.17 2fye h ASN 52 CO -0.03 0.61 -0.49 -0.07 -0.00 0.00 0.00 177.43 177.45 2fye h LEU 53 N 1.07 0.77 -0.74 0.34 3.38 -1.35 -1.18 115.31 117.60 2fye h LEU 53 Ca 0.37 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2fye h LEU 53 Cb 0.08 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2fye h LEU 53 CO -0.14 1.20 0.46 0.58 0.09 0.00 0.00 178.44 180.63 2fye h VAL 54 N 0.37 1.10 0.00 1.22 2.07 -0.74 -1.01 116.25 119.26 2fye h VAL 54 Ca -0.00 -0.31 -0.22 0.00 0.82 0.00 0.00 66.70 66.98 2fye h VAL 54 Cb 1.10 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2fye h VAL 54 CO 0.11 0.16 -1.30 0.44 0.02 0.00 0.00 177.57 177.00 2fye h ASP 55 N 0.90 0.00 0.00 0.57 3.32 -1.15 -3.40 116.42 116.67 2fye h ASP 55 Ca 0.30 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 2fye h ASP 55 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2fye h ASP 55 CO -0.12 0.86 -1.79 0.00 -1.72 0.00 0.00 179.24 176.48 2fye s SER 57 N -4.26 7.12 -0.14 0.00 0.15 -0.39 -5.02 113.70 111.17 2fye s SER 57 Ca -0.06 -3.20 -0.10 0.00 0.70 0.00 0.00 55.95 53.30 2fye s SER 57 Cb 0.05 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 62.03 2fye s SER 57 CO 0.53 -0.49 -0.23 0.35 1.20 0.00 0.00 173.24 174.60 2fye n THR 57 N 3.54 1.13 0.00 6.45 -2.24 -1.26 -4.48 114.28 117.42 2fye n THR 57 Ca 0.25 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2fye n THR 57 Cb 0.42 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 2fye n THR 57 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2fye n LYS 57 N -3.91 0.00 -0.14 -0.78 -0.00 -1.26 -2.28 118.16 109.79 2fye n LYS 57 Ca -0.26 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.10 2fye n LYS 57 Cb 0.60 0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.74 2fye n LYS 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2fye n TYR 58 N 0.00 0.30 -1.35 5.58 4.01 -1.26 -4.97 117.16 119.47 2fye n TYR 58 Ca 0.00 -0.64 -0.12 0.00 -0.16 0.00 0.00 57.90 56.98 2fye n TYR 58 Cb 0.00 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 2fye n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fye n GLY 59 N -0.33 1.26 3.85 2.72 0.00 -1.00 -4.80 105.19 106.89 2fye n GLY 59 Ca 0.10 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2fye n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fye s ASN 60 N -2.69 6.10 -0.33 1.61 0.01 -0.97 -4.71 114.94 113.96 2fye s ASN 60 Ca 0.00 0.30 0.06 0.00 -0.71 0.00 0.00 52.86 52.51 2fye s ASN 60 Cb 0.00 -1.87 0.45 0.00 0.41 0.00 0.00 41.25 40.24 2fye s ASN 60 CO 0.00 0.30 1.24 0.29 -1.51 0.00 0.00 177.10 177.42 2fye n LYS 61 N 1.28 3.54 0.00 -0.60 5.02 0.12 -4.52 118.16 123.00 2fye n LYS 61 Ca -0.14 -4.15 0.00 0.00 -2.02 0.00 0.00 58.31 52.00 2fye n LYS 61 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2fye n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fye n GLY 62 N -0.70 3.16 0.00 0.72 0.00 -1.24 -0.30 105.19 106.83 2fye n GLY 62 Ca 0.45 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.59 2fye n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fye n ASN 64 N -1.21 4.56 0.00 0.00 3.02 0.59 -2.22 115.26 120.00 2fye n ASN 64 Ca 0.06 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 2fye n ASN 64 Cb 0.07 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2fye n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fye n GLY 65 N 0.73 2.87 0.42 7.41 0.00 -0.94 -4.81 105.19 110.88 2fye n GLY 65 Ca 0.24 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2fye n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fye n GLY 66 N 0.14 0.84 3.31 -0.02 0.00 -1.26 0.15 105.19 108.35 2fye n GLY 66 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 2fye n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fye s PHE 67 N -3.97 2.30 0.18 1.61 0.08 -1.26 -4.82 117.98 112.09 2fye s PHE 67 Ca 0.03 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 2fye s PHE 67 Cb -0.00 -1.45 0.09 0.00 -0.57 0.00 0.00 43.02 41.09 2fye s PHE 67 CO 0.00 0.01 1.49 0.52 -0.10 0.00 0.00 175.22 177.14 2fye h MET 68 N 5.30 0.56 -0.45 0.44 2.86 -1.99 -2.82 114.93 118.83 2fye h MET 68 Ca -0.44 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 56.74 2fye h MET 68 Cb 1.13 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2fye h MET 68 CO 0.46 0.98 -0.07 1.79 1.06 0.00 0.00 176.91 181.13 2fye h THR 69 N 0.43 1.27 0.00 2.22 1.35 -1.96 -1.90 112.91 114.32 2fye h THR 69 Ca 0.00 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2fye h THR 69 Cb 1.13 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2fye h THR 69 CO 0.11 0.40 -0.01 0.71 -0.25 0.00 0.00 175.52 176.48 2fye h THR 70 N 0.69 0.02 -0.33 6.82 1.35 -1.87 -1.38 112.91 118.21 2fye h THR 70 Ca 0.12 -0.62 -0.10 0.00 -0.55 0.00 0.00 66.41 65.25 2fye h THR 70 Cb 0.60 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 2fye h THR 70 CO 0.04 0.01 -0.20 0.00 -0.25 0.00 0.00 175.52 175.11 2fye h ALA 71 N 1.99 0.47 -0.72 6.62 0.00 -1.16 -1.93 119.26 124.53 2fye h ALA 71 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2fye h ALA 71 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2fye h ALA 71 CO 0.00 0.42 0.20 0.74 0.00 0.00 0.00 179.25 180.61 2fye h PHE 72 N 0.49 1.18 -0.69 0.00 0.04 -0.64 -2.60 116.94 114.73 2fye h PHE 72 Ca 0.07 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2fye h PHE 72 Cb 0.75 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 2fye h PHE 72 CO 0.06 0.95 0.44 0.37 -0.60 0.00 0.00 178.31 179.53 2fye h GLN 73 N 1.07 0.92 -0.43 1.51 5.75 -1.02 -1.92 115.11 120.99 2fye h GLN 73 Ca 0.23 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 2fye h GLN 73 Cb 0.34 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2fye h GLN 73 CO -0.00 0.63 0.06 -0.92 -2.65 0.00 0.00 178.83 175.95 2fye h TYR 74 N 0.95 0.77 -0.42 3.99 3.20 -1.02 -1.05 116.97 123.39 2fye h TYR 74 Ca 0.25 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2fye h TYR 74 Cb -0.08 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 2fye h TYR 74 CO 0.00 0.74 0.22 0.82 -1.64 0.00 0.00 178.16 178.30 2fye h ILE 75 N 0.57 1.14 -0.08 1.81 2.04 -1.04 0.51 117.51 122.46 2fye h ILE 75 Ca 0.13 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2fye h ILE 75 Cb 0.39 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2fye h ILE 75 CO 0.01 0.15 -0.11 0.40 0.00 0.00 0.00 178.15 178.60 2fye h ILE 76 N 0.58 1.39 -0.61 -0.67 2.04 -1.07 -0.93 117.51 118.24 2fye h ILE 76 Ca 0.15 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 2fye h ILE 76 Cb 0.03 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2fye h ILE 76 CO -0.02 0.38 0.10 0.44 0.00 0.00 0.00 178.15 179.04 2fye h ASP 77 N -0.23 0.97 1.23 1.72 3.32 -0.68 -2.77 116.42 119.98 2fye h ASP 77 Ca 0.01 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2fye h ASP 77 Cb 0.66 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2fye h ASP 77 CO 0.03 0.98 0.00 -1.13 -1.72 0.00 0.00 179.24 177.40 2fye h ASN 78 N 0.91 0.00 -5.05 6.45 -1.24 -0.00 -3.47 115.58 113.18 2fye h ASN 78 Ca 0.18 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.84 2fye h ASN 78 Cb 0.43 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.59 2fye h ASN 78 CO 0.01 0.00 -0.59 2.29 -1.29 0.00 0.00 177.43 177.85 2fye n LYS 78 N -2.68 -6.58 0.00 6.67 2.85 -0.40 -4.93 118.16 113.09 2fye n LYS 78 Ca 0.03 0.75 0.00 0.00 -1.05 0.00 0.00 58.31 58.03 2fye n LYS 78 Cb 0.36 -5.48 0.00 0.00 -0.65 0.00 0.00 35.03 29.25 2fye n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2fye n GLY 79 N -1.77 3.15 3.19 2.58 0.00 -0.91 -4.90 105.19 106.53 2fye n GLY 79 Ca -0.01 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 2fye n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2fye s ILE 80 N -2.00 -0.01 0.86 -0.61 2.07 -0.69 -4.76 121.20 116.05 2fye s ILE 80 Ca 0.00 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 2fye s ILE 80 Cb 0.00 -0.47 0.10 0.00 0.13 0.00 0.00 42.46 42.23 2fye s ILE 80 CO 0.00 0.02 1.10 -1.81 -1.91 0.00 0.00 174.94 172.34 2fye s ASP 81 N 0.60 3.94 0.57 4.50 1.01 -1.26 -1.03 116.67 125.00 2fye s ASP 81 Ca -0.04 1.27 -0.09 0.00 0.71 0.00 0.00 52.55 54.41 2fye s ASP 81 Cb -0.05 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2fye s ASP 81 CO -0.04 -2.31 0.95 -0.94 0.21 0.00 0.00 175.17 173.04 2fye s SER 82 N -3.79 6.24 0.31 0.27 1.04 -1.19 -1.43 113.70 115.15 2fye s SER 82 Ca 0.62 1.26 0.01 0.00 0.48 0.00 0.00 55.95 58.32 2fye s SER 82 Cb -0.16 -2.39 0.51 0.00 0.10 0.00 0.00 66.02 64.08 2fye s SER 82 CO 0.55 -0.78 1.89 -0.78 0.98 0.00 0.00 173.24 175.10 2fye h ASP 83 N -0.14 0.71 -0.48 7.02 3.58 -0.53 -2.18 116.42 124.39 2fye h ASP 83 Ca -0.45 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 2fye h ASP 83 Cb 1.20 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2fye h ASP 83 CO 0.62 0.65 0.24 0.00 -2.88 0.00 0.00 179.24 177.87 2fye h ALA 84 N 1.45 0.62 0.00 -0.78 0.00 -1.94 -1.66 119.26 116.96 2fye h ALA 84 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fye h ALA 84 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2fye h ALA 84 CO -0.01 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.08 2fye h SER 85 N 0.64 0.00 -2.06 0.00 4.64 -1.88 -3.36 113.55 111.52 2fye h SER 85 Ca 0.17 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.95 2fye h SER 85 Cb 0.11 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.84 2fye h SER 85 CO -0.02 0.00 -0.96 0.00 -0.87 0.00 0.00 176.83 174.98 2fye n TYR 86 N -3.02 -1.10 -0.92 4.77 4.19 -0.84 -4.98 117.16 115.26 2fye n TYR 86 Ca 0.03 -3.17 -0.32 0.00 3.31 0.00 0.00 57.90 57.75 2fye n TYR 86 Cb 0.45 0.23 0.14 0.00 0.49 0.00 0.00 39.34 40.66 2fye n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2fye s PRO 87 N -0.21 1.37 -0.30 2.98 0.04 -0.64 -4.57 135.00 133.66 2fye s PRO 87 Ca 0.33 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 2fye s PRO 87 Cb 0.08 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.87 2fye s PRO 87 CO -0.16 -2.39 0.92 -0.47 0.04 0.00 0.00 177.00 174.94 2fye s TYR 88 N -2.44 3.21 -1.16 0.56 5.04 -1.26 -4.72 117.35 116.58 2fye s TYR 88 Ca 0.69 1.04 0.17 0.00 -2.44 0.00 0.00 57.07 56.53 2fye s TYR 88 Cb -0.25 -3.38 -0.10 0.00 0.35 0.00 0.00 41.96 38.58 2fye s TYR 88 CO 0.54 -0.61 0.80 0.36 -1.34 0.00 0.00 175.55 175.30 2fye n LYS 89 N 6.43 1.54 -3.40 4.97 2.85 -1.26 -5.01 118.16 124.28 2fye n LYS 89 Ca 0.08 -0.39 -0.18 0.00 -1.05 0.00 0.00 58.31 56.77 2fye n LYS 89 Cb 0.47 -1.30 0.08 0.00 -0.65 0.00 0.00 35.03 33.63 2fye n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2fye n ALA 90 N -0.81 -1.60 -3.55 0.58 0.00 -1.26 -5.01 120.51 108.86 2fye n ALA 90 Ca 0.05 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2fye n ALA 90 Cb 0.31 -3.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.27 2fye n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fye s MET 91 N -5.65 0.68 0.17 0.00 0.23 -1.26 -4.21 119.30 109.26 2fye s MET 91 Ca 0.22 -0.00 -0.30 0.00 -1.03 0.00 0.00 55.69 54.58 2fye s MET 91 Cb -0.10 0.32 -0.08 0.00 -1.53 0.00 0.00 34.83 33.44 2fye s MET 91 CO 0.68 -0.24 1.28 -0.51 -2.03 0.00 0.00 175.02 174.19 2fye s ASP 92 N -1.59 6.96 0.30 -1.18 1.01 -1.26 -4.93 116.67 115.98 2fye s ASP 92 Ca 0.00 2.31 0.03 0.00 0.71 0.00 0.00 52.55 55.60 2fye s ASP 92 Cb -0.01 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2fye s ASP 92 CO -0.02 -0.49 0.13 -1.10 0.21 0.00 0.00 175.17 173.90 2fye s GLN 93 N 0.09 1.56 0.39 8.23 -0.21 -1.26 -5.09 119.66 123.37 2fye s GLN 93 Ca 0.57 -1.88 -0.25 0.00 0.02 0.00 0.00 55.36 53.82 2fye s GLN 93 Cb -0.35 -0.22 -0.09 0.00 1.00 0.00 0.00 33.01 33.35 2fye s GLN 93 CO 0.36 -0.39 1.08 -1.59 -2.12 0.00 0.00 175.29 172.64 2fye s LYS 94 N -3.89 4.18 0.09 2.91 0.00 -1.26 -4.59 119.74 117.17 2fye s LYS 94 Ca 0.36 1.62 -0.31 0.00 0.00 0.00 0.00 55.97 57.64 2fye s LYS 94 Cb 0.06 -2.64 -0.10 0.00 0.00 0.00 0.00 37.83 35.15 2fye s LYS 94 CO 0.16 -0.16 1.90 0.00 0.00 0.00 0.00 175.35 177.25 2fye n GLN 96 N 6.48 3.08 -1.89 0.00 6.02 -1.26 -5.03 117.38 124.78 2fye n GLN 96 Ca 0.19 -3.94 -0.41 0.00 -0.01 0.00 0.00 57.00 52.83 2fye n GLN 96 Cb 0.39 -2.09 -0.02 0.00 1.02 0.00 0.00 30.24 29.54 2fye n GLN 96 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2fye s TYR 97 N -3.49 2.86 -0.22 1.08 5.04 -1.26 -5.00 117.35 116.35 2fye s TYR 97 Ca 0.47 0.93 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 2fye s TYR 97 Cb 0.40 -3.95 0.07 0.00 0.35 0.00 0.00 41.96 38.82 2fye s TYR 97 CO 0.01 -3.11 0.01 0.34 -1.34 0.00 0.00 175.55 171.46 2fye s ASP 98 N 0.36 3.37 0.45 4.32 -1.08 -1.26 -5.01 116.67 117.82 2fye s ASP 98 Ca 0.60 -1.05 0.30 0.00 -0.52 0.00 0.00 52.55 51.88 2fye s ASP 98 Cb -0.45 -0.83 1.63 0.00 -1.46 0.00 0.00 42.92 41.82 2fye s ASP 98 CO 0.47 -0.30 1.92 0.77 0.52 0.00 0.00 175.17 178.56 2fye h SER 99 N 8.12 0.00 0.69 -0.34 4.64 -2.00 -1.03 113.55 123.64 2fye h SER 99 Ca -0.16 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2fye h SER 99 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2fye h SER 99 CO 0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.21 2fye h ALA 100 N 2.00 1.10 -0.37 5.18 0.00 -2.02 -2.77 119.26 122.38 2fye h ALA 100 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2fye h ALA 100 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2fye h ALA 100 CO 0.00 0.16 0.01 0.66 0.00 0.00 0.00 179.25 180.08 2fye n TYR 101 N -3.40 1.19 -1.90 0.00 4.01 -0.39 -5.02 117.16 111.65 2fye n TYR 101 Ca -0.01 -1.36 -0.42 0.00 -0.16 0.00 0.00 57.90 55.96 2fye n TYR 101 Cb 0.32 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 2fye n TYR 101 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2fye s ARG 102 N -3.10 4.20 0.00 -0.72 3.52 -1.05 -3.17 118.95 118.63 2fye s ARG 102 Ca 0.45 2.41 0.03 0.00 -0.13 0.00 0.00 55.73 58.49 2fye s ARG 102 Cb 0.39 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2fye s ARG 102 CO 0.04 -0.58 0.31 0.00 -0.81 0.00 0.00 175.30 174.26 2fye n ALA 103 N 3.18 2.44 -3.57 6.12 0.00 -0.20 -4.88 120.51 123.60 2fye n ALA 103 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 2fye n ALA 103 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 2fye n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fye s ALA 105 N -0.93 -1.93 0.38 0.00 0.00 -1.18 -4.99 121.76 113.10 2fye s ALA 105 Ca 0.02 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.14 2fye s ALA 105 Cb 0.03 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2fye s ALA 105 CO 0.10 -0.72 0.16 0.95 0.00 0.00 0.00 175.76 176.25 2fye s THR 106 N -2.83 0.45 -0.11 0.00 -4.23 -1.26 -1.70 115.64 105.95 2fye s THR 106 Ca 0.08 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 2fye s THR 106 Cb -0.01 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.48 2fye s THR 106 CO -0.06 0.00 0.25 0.00 -0.54 0.00 0.00 174.62 174.27 2fye n ARG 108 N 4.18 0.72 -3.87 0.00 5.12 0.45 -4.33 116.66 118.94 2fye n ARG 108 Ca -0.25 0.24 -0.02 0.00 -1.93 0.00 0.00 57.85 55.89 2fye n ARG 108 Cb 0.53 -1.68 0.01 0.00 -1.16 0.00 0.00 32.46 30.16 2fye n ARG 108 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2fye s LYS 109 N -2.56 1.17 0.04 5.56 -2.85 -1.07 -5.01 119.74 115.03 2fye s LYS 109 Ca -0.22 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 53.99 2fye s LYS 109 Cb 0.07 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2fye s LYS 109 CO 0.75 -0.55 0.01 1.52 0.10 0.00 0.00 175.35 177.19 2fye s TYR 110 N -2.30 0.36 -0.04 1.78 -0.85 -1.26 -0.59 117.35 114.45 2fye s TYR 110 Ca 0.21 -0.78 0.07 0.00 -0.52 0.00 0.00 57.07 56.05 2fye s TYR 110 Cb -0.02 -0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.04 2fye s TYR 110 CO 0.04 -0.34 -0.24 0.99 -1.52 0.00 0.00 175.55 174.47 2fye s THR 111 N -3.02 1.98 -0.18 -3.49 2.01 -0.36 -4.97 115.64 107.61 2fye s THR 111 Ca -0.01 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 2fye s THR 111 Cb 0.01 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2fye s THR 111 CO -0.07 0.55 0.02 -1.61 -0.69 0.00 0.00 174.62 172.82 2fye s GLU 112 N -0.30 3.77 0.35 4.92 2.02 -1.26 -1.94 118.70 126.26 2fye s GLU 112 Ca 0.01 -0.45 -0.11 0.00 0.02 0.00 0.00 54.97 54.44 2fye s GLU 112 Cb -0.12 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 2fye s GLU 112 CO 0.02 0.17 0.71 -0.51 0.02 0.00 0.00 175.26 175.67 2fye s LEU 113 N 0.60 3.94 0.43 1.80 1.02 -0.47 -5.00 118.68 121.01 2fye s LEU 113 Ca 0.00 1.09 -0.26 0.00 0.02 0.00 0.00 54.13 54.98 2fye s LEU 113 Cb -0.14 -3.93 -0.09 0.00 0.02 0.00 0.00 46.19 42.06 2fye s LEU 113 CO 0.02 -0.30 1.40 -2.16 0.02 0.00 0.00 176.35 175.33 2fye s PRO 114 N -3.52 3.79 0.20 1.29 0.04 -1.26 -4.48 135.00 131.07 2fye s PRO 114 Ca 0.50 2.35 -0.33 0.00 0.04 0.00 0.00 61.00 63.57 2fye s PRO 114 Cb -0.10 -2.70 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 2fye s PRO 114 CO 0.27 -0.71 1.56 0.98 0.04 0.00 0.00 177.00 179.14 2fye n TYR 115 N -0.06 2.37 -0.73 0.56 4.19 -1.26 -3.07 117.16 119.16 2fye n TYR 115 Ca 0.04 0.27 0.00 0.00 3.31 0.00 0.00 57.90 61.53 2fye n TYR 115 Cb 0.42 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.70 2fye n TYR 115 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2fye n GLY 116 N 3.07 0.29 3.51 2.98 0.00 0.21 -4.95 105.19 110.31 2fye n GLY 116 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2fye n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fye s ARG 117 N -0.82 3.74 0.58 1.61 1.81 -1.17 -4.74 118.95 119.95 2fye s ARG 117 Ca 0.00 -1.72 0.35 0.00 -1.72 0.00 0.00 55.73 52.63 2fye s ARG 117 Cb 0.00 -5.19 1.72 0.00 -0.45 0.00 0.00 34.95 31.03 2fye s ARG 117 CO 0.00 -2.00 2.14 0.93 -0.68 0.00 0.00 175.30 175.69 2fye h GLU 118 N 8.67 0.00 -0.11 3.54 5.08 -1.90 -2.03 114.58 127.82 2fye h GLU 118 Ca 0.25 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.39 2fye h GLU 118 Cb 0.97 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2fye h GLU 118 CO 1.29 0.05 -0.76 0.38 -1.00 0.00 0.00 179.01 178.97 2fye h ASP 119 N 0.00 0.86 0.08 1.42 2.03 -2.00 -1.62 116.42 117.20 2fye h ASP 119 Ca -0.00 -0.65 -0.12 0.00 -0.73 0.00 0.00 57.03 55.52 2fye h ASP 119 Cb 0.29 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.53 2fye h ASP 119 CO 0.01 1.38 -0.41 0.58 -1.03 0.00 0.00 179.24 179.77 2fye h VAL 120 N 0.41 1.31 -0.42 4.15 2.07 -1.87 -2.38 116.25 119.51 2fye h VAL 120 Ca -0.06 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 2fye h VAL 120 Cb 1.40 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2fye h VAL 120 CO 0.16 0.48 0.11 0.25 0.02 0.00 0.00 177.57 178.58 2fye h LEU 121 N 0.35 0.64 -0.42 2.57 5.85 -1.34 -1.64 115.31 121.32 2fye h LEU 121 Ca 0.03 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2fye h LEU 121 Cb 0.87 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2fye h LEU 121 CO 0.07 0.70 0.08 0.50 -0.34 0.00 0.00 178.44 179.45 2fye h LYS 122 N 0.55 0.20 -0.74 1.25 3.64 -1.03 0.13 116.57 120.57 2fye h LYS 122 Ca 0.13 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2fye h LYS 122 Cb 0.31 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2fye h LYS 122 CO 0.00 0.13 0.46 1.49 -2.27 0.00 0.00 179.45 179.26 2fye h GLU 123 N 0.20 1.00 -0.59 1.90 4.81 -1.23 -1.17 114.58 119.51 2fye h GLU 123 Ca 0.20 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2fye h GLU 123 Cb 0.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2fye h GLU 123 CO -0.27 0.70 0.16 0.00 -0.73 0.00 0.00 179.01 178.88 2fye h ALA 124 N 1.24 0.77 -0.63 2.92 0.00 -0.30 0.57 119.26 123.83 2fye h ALA 124 Ca 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2fye h ALA 124 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2fye h ALA 124 CO -0.05 0.45 0.14 0.28 0.00 0.00 0.00 179.25 180.07 2fye h VAL 125 N 0.83 1.26 -0.10 0.00 2.07 -0.46 0.12 116.25 119.96 2fye h VAL 125 Ca 0.19 -0.96 -0.23 0.00 0.82 0.00 0.00 66.70 66.52 2fye h VAL 125 Cb 0.32 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2fye h VAL 125 CO -0.00 0.36 -0.84 0.00 0.02 0.00 0.00 177.57 177.11 2fye h ALA 126 N 1.05 0.33 0.00 1.67 0.00 -1.01 -3.25 119.26 118.05 2fye h ALA 126 Ca 0.20 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 2fye h ALA 126 Cb 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2fye h ALA 126 CO 0.01 0.71 -2.10 0.09 0.00 0.00 0.00 179.25 177.95 2fye n ASN 127 N -3.89 0.13 -0.10 0.00 5.03 0.17 -4.72 115.26 111.87 2fye n ASN 127 Ca -0.08 0.06 -0.19 0.00 0.87 0.00 0.00 54.58 55.24 2fye n ASN 127 Cb 0.77 1.24 -0.08 0.00 -1.02 0.00 0.00 39.78 40.70 2fye n ASN 127 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2fye n LYS 127 N -2.59 0.47 -0.32 3.52 4.76 0.36 -5.06 118.16 119.30 2fye n LYS 127 Ca -0.19 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2fye n LYS 127 Cb 0.90 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 2fye n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fye n GLY 128 N 2.03 0.82 3.72 0.72 0.00 -0.91 -4.95 105.19 106.63 2fye n GLY 128 Ca -0.39 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2fye n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2fye n PRO 129 N 0.00 2.15 -5.27 1.61 -0.02 -1.26 -4.03 135.00 128.18 2fye n PRO 129 Ca 0.00 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2fye n PRO 129 Cb 0.00 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 30.86 2fye n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fye s VAL 130 N -1.16 2.03 0.06 -1.45 1.01 -0.88 -4.80 120.40 115.21 2fye s VAL 130 Ca 0.58 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2fye s VAL 130 Cb -0.51 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2fye s VAL 130 CO 0.60 0.57 1.04 -0.44 0.00 0.00 0.00 175.10 176.87 2fye s SER 131 N -0.39 7.32 0.07 3.32 0.01 -0.15 -1.24 113.70 122.63 2fye s SER 131 Ca 0.04 1.83 -0.05 0.00 1.31 0.00 0.00 55.95 59.08 2fye s SER 131 Cb -0.12 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 2fye s SER 131 CO 0.01 -0.26 0.09 0.68 0.41 0.00 0.00 173.24 174.17 2fye s VAL 132 N 0.61 0.17 -0.02 3.43 -7.23 -0.86 -1.57 120.40 114.94 2fye s VAL 132 Ca 0.52 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2fye s VAL 132 Cb -0.25 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2fye s VAL 132 CO 0.30 -0.78 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.45 2fye s GLY 133 N -2.78 1.82 0.09 2.32 0.00 -1.26 -0.93 107.32 106.58 2fye s GLY 133 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2fye s GLY 133 CO -0.10 -0.79 -0.05 -1.34 0.00 0.00 0.00 173.10 170.83 2fye s VAL 134 N -1.01 0.54 -0.60 1.40 -7.23 -0.08 -3.99 120.40 109.43 2fye s VAL 134 Ca 0.17 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 2fye s VAL 134 Cb -0.11 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.19 2fye s VAL 134 CO 0.08 -0.86 0.92 -0.62 -0.31 0.00 0.00 175.10 174.31 2fye s ASP 135 N -3.02 6.24 -0.34 4.85 -1.08 -0.12 -1.46 116.67 121.73 2fye s ASP 135 Ca 0.12 -0.74 0.06 0.00 -0.52 0.00 0.00 52.55 51.48 2fye s ASP 135 Cb 0.06 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.58 2fye s ASP 135 CO -0.05 -1.30 1.40 0.00 0.52 0.00 0.00 175.17 175.73 2fye n ALA 136 N 7.46 4.91 1.22 3.66 0.00 -1.26 -4.71 120.51 131.79 2fye n ALA 136 Ca -0.02 -3.53 0.13 0.00 0.00 0.00 0.00 53.44 50.02 2fye n ALA 136 Cb 0.46 -0.66 0.47 0.00 0.00 0.00 0.00 19.45 19.72 2fye n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fye n ARG 137 N -0.89 0.48 -3.74 0.00 1.74 -1.26 -4.90 116.66 108.08 2fye n ARG 137 Ca 0.42 -0.21 -0.37 0.00 -0.77 0.00 0.00 57.85 56.91 2fye n ARG 137 Cb 0.91 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 2fye n ARG 137 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2fye s HIS 138 N -2.67 3.63 0.55 -1.55 3.76 -1.26 -4.99 115.29 112.77 2fye s HIS 138 Ca 0.22 0.68 0.29 0.00 -0.15 0.00 0.00 55.06 56.10 2fye s HIS 138 Cb 0.19 -2.07 1.46 0.00 1.11 0.00 0.00 32.58 33.27 2fye s HIS 138 CO 0.55 0.68 1.93 -1.35 -0.85 0.00 0.00 174.74 175.70 2fye h PRO 139 N 4.98 0.00 -0.18 8.40 0.11 -2.01 -0.47 132.00 142.83 2fye h PRO 139 Ca -0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2fye h PRO 139 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2fye h PRO 139 CO 0.60 0.00 0.05 0.66 -0.21 0.00 0.00 178.00 179.10 2fye h SER 140 N 0.00 0.22 -0.41 -2.05 4.64 -1.97 -1.85 113.55 112.13 2fye h SER 140 Ca 0.30 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2fye h SER 140 Cb 1.30 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2fye h SER 140 CO -0.00 0.23 -0.28 0.15 -0.87 0.00 0.00 176.83 176.06 2fye h PHE 141 N 0.25 1.07 -0.33 4.77 3.04 -1.44 -2.52 116.94 121.78 2fye h PHE 141 Ca 0.06 -0.29 -0.15 0.00 3.98 0.00 0.00 57.97 61.57 2fye h PHE 141 Cb 0.10 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 2fye h PHE 141 CO 0.00 1.10 -0.41 0.74 -2.02 0.00 0.00 178.31 177.72 2fye h PHE 142 N 0.73 0.97 -0.01 0.41 0.04 -1.49 -3.11 116.94 114.49 2fye h PHE 142 Ca 0.08 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2fye h PHE 142 Cb 0.87 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.81 2fye h PHE 142 CO 0.06 1.08 0.00 1.28 -0.60 0.00 0.00 178.31 180.13 2fye n LEU 143 N -4.04 0.61 -4.74 1.54 4.32 -0.75 -4.81 117.00 109.13 2fye n LEU 143 Ca -0.02 -0.21 -0.42 0.00 -0.02 0.00 0.00 56.01 55.34 2fye n LEU 143 Cb 0.55 -0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2fye n LEU 143 CO 0.48 0.10 1.04 0.00 -1.22 0.00 0.00 177.39 177.79 2fye n TYR 144 N -0.51 2.66 0.00 -1.77 4.19 -0.95 -4.92 117.16 115.86 2fye n TYR 144 Ca 0.21 0.48 0.00 0.00 3.31 0.00 0.00 57.90 61.90 2fye n TYR 144 Cb 0.21 -2.49 0.00 0.00 0.49 0.00 0.00 39.34 37.55 2fye n TYR 144 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2fye n ARG 145 N 0.64 1.53 -3.72 2.98 1.74 -1.26 -3.35 116.66 115.23 2fye n ARG 145 Ca 0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2fye n ARG 145 Cb 0.37 -0.63 -0.01 0.00 -1.02 0.00 0.00 32.46 31.16 2fye n ARG 145 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2fye s SER 146 N -1.40 -0.20 0.00 0.55 1.04 -1.26 -4.00 113.70 108.43 2fye s SER 146 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2fye s SER 146 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2fye s SER 146 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2fye n GLY 147 N -0.44 -1.67 3.44 7.32 0.00 -1.26 -4.78 105.19 107.81 2fye n GLY 147 Ca -0.07 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2fye n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fye s VAL 148 N 0.00 4.60 -0.04 1.61 1.01 -1.26 -4.28 120.40 122.04 2fye s VAL 148 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2fye s VAL 148 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2fye s VAL 148 CO 0.00 0.09 1.53 -0.47 0.00 0.00 0.00 175.10 176.25 2fye s TYR 149 N 1.62 2.39 -0.07 5.22 5.04 0.62 -4.80 117.35 127.37 2fye s TYR 149 Ca 0.05 0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 55.15 2fye s TYR 149 Cb -0.17 -3.80 0.03 0.00 0.35 0.00 0.00 41.96 38.38 2fye s TYR 149 CO 0.06 -3.18 0.02 -0.47 -1.34 0.00 0.00 175.55 170.65 2fye s TYR 150 N 3.36 0.52 -0.33 4.97 5.04 -1.26 -1.39 117.35 128.26 2fye s TYR 150 Ca 0.68 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.24 2fye s TYR 150 Cb -0.32 -0.73 0.10 0.00 0.35 0.00 0.00 41.96 41.36 2fye s TYR 150 CO 0.27 -0.32 0.05 -2.00 -1.34 0.00 0.00 175.55 172.21 2fye s GLU 151 N 2.02 1.36 0.65 4.97 2.56 -1.26 -4.99 118.70 124.02 2fye s GLU 151 Ca 0.05 -1.66 0.25 0.00 0.00 0.00 0.00 54.97 53.61 2fye s GLU 151 Cb -0.13 -2.92 1.32 0.00 2.00 0.00 0.00 34.13 34.41 2fye s GLU 151 CO -0.05 -0.92 1.75 -1.00 -0.56 0.00 0.00 175.26 174.48 2fye h PRO 152 N 7.73 0.00 -0.72 4.30 0.13 -2.04 0.11 132.00 141.50 2fye h PRO 152 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2fye h PRO 152 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2fye h PRO 152 CO 0.50 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.14 2fye n SER 152 N -3.02 4.22 -4.78 1.44 3.41 -1.26 -4.97 113.62 108.66 2fye n SER 152 Ca 0.02 -2.14 -0.34 0.00 -0.26 0.00 0.00 58.87 56.14 2fye n SER 152 Cb 0.58 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2fye n SER 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fye n THR 154 N -1.50 0.00 -0.31 0.00 -2.24 -1.26 -4.70 114.28 104.28 2fye n THR 154 Ca 0.11 -0.96 0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2fye n THR 154 Cb 0.52 0.25 0.28 0.00 -2.10 0.00 0.00 70.33 69.27 2fye n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fye n GLN 155 N -0.46 2.75 -2.73 -0.78 6.02 -1.26 -2.55 117.38 118.37 2fye n GLN 155 Ca -0.06 -2.51 -0.43 0.00 -0.01 0.00 0.00 57.00 53.99 2fye n GLN 155 Cb 0.25 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 2fye n GLN 155 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2fye s ASN 156 N -1.01 6.75 0.65 1.08 3.04 -1.26 -4.69 114.94 119.50 2fye s ASN 156 Ca 0.43 -2.20 -0.15 0.00 0.04 0.00 0.00 52.86 50.97 2fye s ASN 156 Cb 0.22 -2.50 -0.01 0.00 -1.54 0.00 0.00 41.25 37.43 2fye s ASN 156 CO 0.29 -1.15 1.12 0.68 -3.04 0.00 0.00 177.10 175.00 2fye s VAL 157 N 3.54 3.20 0.00 -5.21 -7.23 -1.26 -4.46 120.40 108.99 2fye s VAL 157 Ca 0.45 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 2fye s VAL 157 Cb -0.00 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2fye s VAL 157 CO -0.02 -0.33 0.00 -0.46 -0.31 0.00 0.00 175.10 173.98 2fye n ASN 158 N -2.30 0.00 -4.01 4.85 6.94 -0.54 -4.90 115.26 115.31 2fye n ASN 158 Ca 0.11 -0.28 -0.28 0.00 -0.02 0.00 0.00 54.58 54.11 2fye n ASN 158 Cb 0.52 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.77 2fye n ASN 158 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2fye s HIS 159 N 0.00 1.84 -0.24 -2.53 5.04 -0.66 -4.96 115.29 113.78 2fye s HIS 159 Ca 0.00 -0.91 -0.21 0.00 -1.54 0.00 0.00 55.06 52.40 2fye s HIS 159 Cb 0.00 -1.38 -0.02 0.00 0.04 0.00 0.00 32.58 31.22 2fye s HIS 159 CO 0.00 -0.51 0.66 0.20 -2.34 0.00 0.00 174.74 172.75 2fye s GLY 160 N 1.26 1.86 0.10 1.59 0.00 -1.26 -0.90 107.32 109.96 2fye s GLY 160 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.36 2fye s GLY 160 CO -0.05 1.47 0.05 3.33 0.00 0.00 0.00 173.10 177.89 2fye n VAL 161 N 5.09 0.00 -4.51 1.40 0.24 -0.11 -4.41 118.33 116.03 2fye n VAL 161 Ca 0.00 -0.61 -0.24 0.00 -2.04 0.00 0.00 64.34 61.45 2fye n VAL 161 Cb 0.49 0.24 -0.17 0.00 -1.47 0.00 0.00 33.84 32.93 2fye n VAL 161 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2fye s LEU 162 N 0.00 1.59 -0.39 1.34 2.96 -1.09 -2.02 118.68 121.06 2fye s LEU 162 Ca 0.06 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.50 2fye s LEU 162 Cb 0.00 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.94 2fye s LEU 162 CO 0.05 0.02 0.63 -0.69 -1.32 0.00 0.00 176.35 175.03 2fye s VAL 163 N 0.72 4.87 -1.82 1.68 1.01 -0.37 -0.22 120.40 126.27 2fye s VAL 163 Ca -0.14 0.34 0.19 0.00 0.00 0.00 0.00 61.98 62.38 2fye s VAL 163 Cb -0.16 -4.13 0.49 0.00 0.00 0.00 0.00 36.38 32.59 2fye s VAL 163 CO 0.03 -0.44 1.41 1.33 0.00 0.00 0.00 175.10 177.43 2fye n VAL 164 N 5.70 0.84 -0.52 2.92 0.24 0.92 -2.08 118.33 126.36 2fye n VAL 164 Ca -0.02 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 2fye n VAL 164 Cb 0.48 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 2fye n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fye n GLY 165 N 1.31 -2.50 3.34 7.63 0.00 -1.20 -1.04 105.19 112.74 2fye n GLY 165 Ca 0.20 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 2fye n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fye s TYR 166 N -2.13 -0.30 0.00 1.61 -0.85 -0.04 0.10 117.35 115.74 2fye s TYR 166 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 2fye s TYR 166 Cb 0.00 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.64 2fye s TYR 166 CO 0.00 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 2fye n GLY 167 N 0.07 2.19 2.81 5.49 0.00 -0.95 -0.43 105.19 114.36 2fye n GLY 167 Ca -0.17 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 2fye n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fye s ASP 168 N 2.00 0.17 -0.22 1.61 -1.08 -1.26 -1.87 116.67 116.02 2fye s ASP 168 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 2fye s ASP 168 Cb 0.00 -0.10 0.06 0.00 -1.46 0.00 0.00 42.92 41.42 2fye s ASP 168 CO 0.00 -0.09 -0.04 -0.22 0.52 0.00 0.00 175.17 175.34 2fye s LEU 168 N 0.82 2.20 -1.43 -1.34 2.96 0.10 -4.78 118.68 117.21 2fye s LEU 168 Ca -0.07 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 52.74 2fye s LEU 168 Cb -0.10 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.58 2fye s LEU 168 CO -0.02 -0.23 0.83 0.59 -1.32 0.00 0.00 176.35 176.20 2fye n ASN 168 N 4.76 -2.95 0.00 3.68 4.13 -1.26 -0.46 115.26 123.16 2fye n ASN 168 Ca -0.12 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.33 2fye n ASN 168 Cb 0.45 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.78 2fye n ASN 168 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2fye n GLY 168 N -1.66 2.94 3.62 7.41 0.00 -1.26 -4.98 105.19 111.26 2fye n GLY 168 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2fye n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fye s LYS 168 N -0.09 4.01 0.40 1.61 1.02 0.39 -5.04 119.74 122.03 2fye s LYS 168 Ca 0.00 0.60 -0.23 0.00 0.02 0.00 0.00 55.97 56.35 2fye s LYS 168 Cb 0.00 -3.70 -0.10 0.00 -0.52 0.00 0.00 37.83 33.51 2fye s LYS 168 CO 0.00 -0.60 1.00 -1.21 -0.92 0.00 0.00 175.35 173.62 2fye s GLU 169 N 2.82 4.25 0.22 1.68 2.02 -1.26 0.01 118.70 128.44 2fye s GLU 169 Ca 0.31 1.37 -0.13 0.00 0.02 0.00 0.00 54.97 56.54 2fye s GLU 169 Cb -0.15 -2.48 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 2fye s GLU 169 CO 0.11 -0.04 0.44 1.52 0.02 0.00 0.00 175.26 177.31 2fye s TYR 170 N -1.79 0.30 -0.08 1.61 -0.85 -0.78 -1.47 117.35 114.28 2fye s TYR 170 Ca 0.58 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 56.49 2fye s TYR 170 Cb -0.18 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 2fye s TYR 170 CO 0.23 -0.92 -0.14 -1.58 -1.52 0.00 0.00 175.55 171.62 2fye s TRP 171 N -3.99 2.75 -0.40 -3.49 0.52 0.45 -2.24 118.94 112.54 2fye s TRP 171 Ca 0.20 -0.35 -0.21 0.00 0.02 0.00 0.00 56.10 55.76 2fye s TRP 171 Cb 0.00 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 2fye s TRP 171 CO 0.05 0.03 0.68 -1.17 0.02 0.00 0.00 176.95 176.56 2fye s LEU 172 N -0.30 4.33 -0.16 2.99 0.20 0.28 -1.22 118.68 124.80 2fye s LEU 172 Ca 0.02 -0.06 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 2fye s LEU 172 Cb -0.13 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.79 2fye s LEU 172 CO 0.03 -0.73 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.60 2fye s VAL 173 N 2.89 3.61 -0.24 1.68 1.01 0.18 -0.05 120.40 129.48 2fye s VAL 173 Ca 0.25 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2fye s VAL 173 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2fye s VAL 173 CO 0.18 0.49 0.39 -0.75 0.00 0.00 0.00 175.10 175.41 2fye s LYS 174 N 0.49 4.08 0.45 2.72 2.20 0.70 -1.00 119.74 129.38 2fye s LYS 174 Ca -0.05 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.76 2fye s LYS 174 Cb -0.15 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2fye s LYS 174 CO 0.03 -0.18 0.58 1.21 -0.36 0.00 0.00 175.35 176.64 2fye s ASN 175 N 1.37 5.49 -0.30 1.43 2.47 -0.94 -2.68 114.94 121.78 2fye s ASN 175 Ca 0.17 -0.54 0.09 0.00 0.42 0.00 0.00 52.86 53.00 2fye s ASN 175 Cb -0.15 -0.48 0.46 0.00 -1.45 0.00 0.00 41.25 39.63 2fye s ASN 175 CO 0.09 -0.85 1.17 -1.54 -3.72 0.00 0.00 177.10 172.25 2fye n SER 176 N -1.88 4.54 -1.43 -4.21 3.41 -1.26 -4.50 113.62 108.28 2fye n SER 176 Ca 0.09 -3.56 -0.11 0.00 -0.26 0.00 0.00 58.87 55.02 2fye n SER 176 Cb 0.60 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.33 2fye n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2fye n TRP 177 N -0.67 1.58 -0.15 7.33 8.01 -1.19 -1.57 117.44 130.78 2fye n TRP 177 Ca 0.39 -1.89 0.02 0.00 -1.31 0.00 0.00 57.50 54.72 2fye n TRP 177 Cb 0.92 -0.54 -0.01 0.00 -2.01 0.00 0.00 31.31 29.68 2fye n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2fye n GLY 178 N -1.02 -1.75 0.27 6.99 0.00 -0.40 -4.13 105.19 105.15 2fye n GLY 178 Ca 0.38 -1.47 0.17 0.00 0.00 0.00 0.00 46.02 45.09 2fye n GLY 178 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2fye h HIS 179 N -0.14 0.00 0.00 1.61 -0.00 -1.85 -3.19 115.15 111.58 2fye h HIS 179 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2fye h HIS 179 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2fye h HIS 179 CO -0.14 0.00 -0.14 -0.91 -0.00 0.00 0.00 177.93 176.74 2fye h ASN 180 N 0.00 0.00 -3.97 3.10 -0.26 -1.91 -2.98 115.58 109.56 2fye h ASN 180 Ca 0.00 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.26 2fye h ASN 180 Cb 0.50 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.79 2fye h ASN 180 CO 0.00 0.14 0.42 0.12 -1.06 0.00 0.00 177.43 177.05 2fye s PHE 181 N -3.44 3.22 0.00 1.19 5.36 -1.21 -4.83 117.98 118.27 2fye s PHE 181 Ca 0.03 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 2fye s PHE 181 Cb 0.08 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.61 2fye s PHE 181 CO 0.63 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 2fye n GLY 182 N 0.32 2.15 3.40 13.12 0.00 -1.21 0.37 105.19 123.33 2fye n GLY 182 Ca 0.05 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 2fye n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fye s GLU 183 N 0.00 3.71 -1.48 1.61 2.02 0.04 -4.45 118.70 120.15 2fye s GLU 183 Ca 0.00 -2.24 -0.12 0.00 0.02 0.00 0.00 54.97 52.63 2fye s GLU 183 Cb 0.00 -4.72 0.06 0.00 0.10 0.00 0.00 34.13 29.57 2fye s GLU 183 CO 0.00 -1.55 1.02 0.36 0.02 0.00 0.00 175.26 175.11 2fye n LYS 184 N 5.16 -6.15 -0.20 1.61 2.85 -1.22 -1.37 118.16 118.85 2fye n LYS 184 Ca 0.22 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 58.15 2fye n LYS 184 Cb 0.47 -5.61 0.00 0.00 -0.65 0.00 0.00 35.03 29.24 2fye n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2fye n GLY 185 N -1.76 1.04 3.83 2.58 0.00 0.16 -4.74 105.19 106.29 2fye n GLY 185 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2fye n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fye s TYR 186 N -2.63 2.88 -0.13 1.61 1.51 -0.47 -2.20 117.35 117.92 2fye s TYR 186 Ca 0.00 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 2fye s TYR 186 Cb 0.00 -1.74 0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2fye s TYR 186 CO 0.00 0.24 0.32 -1.50 -1.11 0.00 0.00 175.55 173.50 2fye s ILE 187 N -2.31 -0.01 -0.24 2.71 2.07 -0.17 -0.78 121.20 122.46 2fye s ILE 187 Ca 0.40 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.57 2fye s ILE 187 Cb -0.05 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 42.03 2fye s ILE 187 CO 0.26 0.02 0.24 -0.13 -1.91 0.00 0.00 174.94 173.41 2fye s ARG 188 N 0.66 4.07 -0.05 3.50 0.52 -1.26 -0.65 118.95 125.74 2fye s ARG 188 Ca -0.04 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 2fye s ARG 188 Cb -0.05 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 2fye s ARG 188 CO -0.04 -0.02 -0.10 -1.64 0.02 0.00 0.00 175.30 173.52 2fye s MET 189 N 1.29 2.63 0.02 3.54 -1.94 -0.35 -0.27 119.30 124.21 2fye s MET 189 Ca 0.11 -0.62 -0.39 0.00 -1.71 0.00 0.00 55.69 53.07 2fye s MET 189 Cb -0.14 -2.50 -0.18 0.00 2.01 0.00 0.00 34.83 34.01 2fye s MET 189 CO 0.07 0.64 1.23 0.00 -0.01 0.00 0.00 175.02 176.94 2fye n ALA 190 N 2.16 -2.29 -2.45 3.03 0.00 -0.48 -0.41 120.51 120.07 2fye n ALA 190 Ca -0.17 0.55 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 2fye n ALA 190 Cb 0.53 -1.92 -0.13 0.00 0.00 0.00 0.00 19.45 17.92 2fye n ALA 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2fye s ARG 191 N 0.40 2.36 -1.10 0.00 3.52 -0.54 -4.65 118.95 118.95 2fye s ARG 191 Ca 0.89 -0.78 -0.06 0.00 -0.13 0.00 0.00 55.73 55.64 2fye s ARG 191 Cb -1.13 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2fye s ARG 191 CO 0.53 0.60 0.85 0.09 -0.81 0.00 0.00 175.30 176.56 2fye n ASN 192 N 2.16 -5.42 -2.58 -2.12 5.03 -1.26 -4.61 115.26 106.47 2fye n ASN 192 Ca -0.17 -0.39 -0.25 0.00 0.87 0.00 0.00 54.58 54.65 2fye n ASN 192 Cb 0.52 -4.07 -0.00 0.00 -1.02 0.00 0.00 39.78 35.21 2fye n ASN 192 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2fye n LYS 193 N -3.92 3.11 -3.32 3.52 4.76 -1.26 -4.93 118.16 116.12 2fye n LYS 193 Ca -0.01 -4.41 -0.16 0.00 -2.87 0.00 0.00 58.31 50.86 2fye n LYS 193 Cb 0.56 -2.13 0.08 0.00 -1.84 0.00 0.00 35.03 31.69 2fye n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fye n GLY 194 N -0.39 -0.65 3.77 0.72 0.00 -1.26 -3.38 105.19 104.01 2fye n GLY 194 Ca 0.34 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.41 2fye n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2fye n ASN 198 N -3.12 -1.04 -4.67 1.61 5.15 -1.26 -4.84 115.26 107.08 2fye n ASN 198 Ca -0.20 -0.87 -0.51 0.00 -0.60 0.00 0.00 54.58 52.40 2fye n ASN 198 Cb 0.65 -3.79 -0.06 0.00 -0.53 0.00 0.00 39.78 36.06 2fye n ASN 198 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2fye n HIS 199 N -4.32 2.10 -1.66 1.20 -0.00 -1.22 -0.72 115.22 110.61 2fye n HIS 199 Ca -0.29 0.31 -0.19 0.00 -0.00 0.00 0.00 57.72 57.55 2fye n HIS 199 Cb 0.68 -2.53 -0.07 0.00 -0.00 0.00 0.00 29.99 28.07 2fye n HIS 199 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2fye n GLY 201 N -0.71 0.64 0.33 0.00 0.00 0.10 -0.95 105.19 104.61 2fye n GLY 201 Ca -0.19 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 45.96 2fye n GLY 201 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fye h ILE 202 N 0.00 0.86 -0.48 -0.61 2.10 -1.64 -0.71 117.51 117.02 2fye h ILE 202 Ca -0.46 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.46 2fye h ILE 202 Cb 1.36 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 2fye h ILE 202 CO 0.60 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.68 2fye n ALA 203 N -2.59 3.20 0.10 0.18 0.00 -1.26 -4.50 120.51 115.64 2fye n ALA 203 Ca 0.05 -1.87 -0.13 0.00 0.00 0.00 0.00 53.44 51.48 2fye n ALA 203 Cb 0.38 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 2fye n ALA 203 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fye h SER 204 N 3.14 -0.23 -2.16 0.00 0.02 -1.40 0.63 113.55 113.55 2fye h SER 204 Ca 0.00 -0.24 -0.58 0.00 -0.84 0.00 0.00 61.79 60.13 2fye h SER 204 Cb 1.53 0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.73 2fye h SER 204 CO 0.28 0.14 -0.91 0.49 -1.14 0.00 0.00 176.83 175.69 2fye n PHE 205 N -5.05 0.92 -2.92 3.45 3.72 -1.26 -4.06 117.46 112.26 2fye n PHE 205 Ca -0.09 -3.75 -0.31 0.00 -0.05 0.00 0.00 57.45 53.26 2fye n PHE 205 Cb 0.24 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 2fye n PHE 205 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2fye s PRO 206 N -1.42 3.81 -0.06 -1.08 0.02 -1.26 -4.26 135.00 130.76 2fye s PRO 206 Ca 0.36 0.49 -0.29 0.00 0.02 0.00 0.00 61.00 61.57 2fye s PRO 206 Cb 0.14 -2.41 0.10 0.00 0.02 0.00 0.00 34.50 32.35 2fye s PRO 206 CO -0.10 0.01 0.84 -1.54 -0.33 0.00 0.00 177.00 175.88 2fye s SER 207 N -3.00 -0.47 0.02 2.53 1.04 -0.61 -1.37 113.70 111.84 2fye s SER 207 Ca 0.51 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 57.19 2fye s SER 207 Cb -0.10 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2fye s SER 207 CO 0.29 -0.55 0.21 -0.72 0.98 0.00 0.00 173.24 173.45 2fye s TYR 208 N -1.91 -0.01 0.53 5.02 -0.85 -0.82 -0.98 117.35 118.33 2fye s TYR 208 Ca -0.02 -0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 2fye s TYR 208 Cb -0.01 -0.00 0.02 0.00 0.38 0.00 0.00 41.96 42.35 2fye s TYR 208 CO -0.00 -0.39 0.77 -1.25 -1.52 0.00 0.00 175.55 173.16 2fye s PRO 209 N -1.98 2.78 -0.06 -3.49 0.04 -1.26 -1.23 135.00 129.80 2fye s PRO 209 Ca -0.10 -0.52 -0.02 0.00 0.04 0.00 0.00 61.00 60.40 2fye s PRO 209 Cb -0.04 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.08 2fye s PRO 209 CO -0.01 -0.57 0.13 -1.21 0.04 0.00 0.00 177.00 175.38 2fye s GLU 210 N -4.74 0.05 0.00 4.56 2.02 0.25 -4.93 118.70 115.91 2fye s GLU 210 Ca 0.53 0.37 0.31 0.00 0.02 0.00 0.00 54.97 56.20 2fye s GLU 210 Cb -0.10 -0.22 1.64 0.00 0.10 0.00 0.00 34.13 35.55 2fye s GLU 210 CO 0.40 -0.20 2.08 -0.89 0.02 0.00 0.00 175.26 176.67