#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2e n SER 6 N 0.00 1.19 -1.69 8.00 3.41 -1.26 -3.82 113.62 119.45 2f2e n SER 6 Ca 0.00 -1.01 0.08 0.00 -0.26 0.00 0.00 58.87 57.68 2f2e n SER 6 Cb 0.00 0.71 0.37 0.00 -0.26 0.00 0.00 64.21 65.02 2f2e n SER 6 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2f2e n HIS 7 N -1.08 1.70 -0.11 7.33 -0.00 -1.26 -4.68 115.22 117.13 2f2e n HIS 7 Ca 0.06 -0.63 0.02 0.00 -0.00 0.00 0.00 57.72 57.17 2f2e n HIS 7 Cb 0.37 -0.36 0.33 0.00 -0.00 0.00 0.00 29.99 30.33 2f2e n HIS 7 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2f2e h LYS 8 N 3.92 0.77 -0.36 -0.41 3.64 -1.88 -1.48 116.57 120.77 2f2e h LYS 8 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2f2e h LYS 8 Cb 1.65 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2f2e h LYS 8 CO 0.34 0.52 0.00 1.04 -2.27 0.00 0.00 179.45 179.08 2f2e n GLN 9 N -4.44 3.04 -1.70 1.90 3.00 -1.26 -5.01 117.38 112.91 2f2e n GLN 9 Ca 0.06 -2.50 -0.39 0.00 -0.01 0.00 0.00 57.00 54.16 2f2e n GLN 9 Cb 0.05 -1.60 0.03 0.00 0.00 0.00 0.00 30.24 28.73 2f2e n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2f2e n ALA 10 N 0.21 1.21 0.29 -1.58 0.00 -0.56 -4.90 120.51 115.18 2f2e n ALA 10 Ca 0.18 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.93 2f2e n ALA 10 Cb 0.68 -2.28 0.54 0.00 0.00 0.00 0.00 19.45 18.40 2f2e n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2f2e h SER 11 N 1.51 0.00 -3.36 0.00 4.64 -1.95 -3.46 113.55 110.93 2f2e h SER 11 Ca -0.49 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.26 2f2e h SER 11 Cb 1.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 2f2e h SER 11 CO 0.57 0.00 0.14 0.00 -0.87 0.00 0.00 176.83 176.67 2f2e h PRO 13 N 6.91 0.00 -0.12 0.00 0.11 -2.01 -2.26 132.00 134.64 2f2e h PRO 13 Ca -0.38 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.53 2f2e h PRO 13 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2f2e h PRO 13 CO 0.77 0.05 -0.72 0.28 -0.21 0.00 0.00 178.00 178.17 2f2e h VAL 14 N 0.00 1.34 -0.02 3.15 2.07 -1.99 -3.37 116.25 117.43 2f2e h VAL 14 Ca -0.00 -2.04 -0.17 0.00 0.82 0.00 0.00 66.70 65.31 2f2e h VAL 14 Cb 0.22 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2f2e h VAL 14 CO 0.01 0.63 -0.66 0.00 0.02 0.00 0.00 177.57 177.56 2f2e h ALA 15 N 0.82 0.11 -0.50 1.67 0.00 -1.80 -3.34 119.26 116.21 2f2e h ALA 15 Ca -0.03 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.36 2f2e h ALA 15 Cb 1.31 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2f2e h ALA 15 CO 0.13 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.99 2f2e h ARG 16 N 0.02 0.37 -0.00 0.00 3.08 -1.65 -1.69 114.38 114.51 2f2e h ARG 16 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2f2e h ARG 16 Cb 1.36 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2f2e h ARG 16 CO 0.13 0.24 0.02 -1.35 -1.07 0.00 0.00 179.97 177.94 2f2e h PRO 17 N 0.38 0.00 0.00 0.04 0.11 -1.75 -2.96 132.00 127.82 2f2e h PRO 17 Ca 0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 2f2e h PRO 17 Cb 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2f2e h PRO 17 CO -0.23 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.40 2f2e h LEU 18 N 0.00 0.00 -2.27 2.35 3.38 -1.42 -1.41 115.31 115.94 2f2e h LEU 18 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f2e h LEU 18 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2f2e h LEU 18 CO -0.00 0.08 -0.02 0.44 0.09 0.00 0.00 178.44 179.03 2f2e h ASP 19 N 0.00 0.00 0.00 -0.43 3.32 -1.64 0.05 116.42 117.72 2f2e h ASP 19 Ca -0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2f2e h ASP 19 Cb 0.50 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 2f2e h ASP 19 CO 0.01 0.02 -2.46 0.52 -1.72 0.00 0.00 179.24 175.61 2f2e n VAL 20 N -4.01 1.46 0.17 -1.35 0.31 -0.62 -4.69 118.33 109.59 2f2e n VAL 20 Ca -0.03 -0.53 0.02 0.00 -0.01 0.00 0.00 64.34 63.79 2f2e n VAL 20 Cb 0.11 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 31.55 2f2e n VAL 20 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2f2e n ILE 21 N -3.42 0.00 -1.91 2.52 -5.35 -0.64 -4.84 119.36 105.72 2f2e n ILE 21 Ca -0.47 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.14 2f2e n ILE 21 Cb 0.96 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 2f2e n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f2e n GLY 22 N 0.67 4.53 3.79 3.28 0.00 0.00 -4.78 105.19 112.69 2f2e n GLY 22 Ca 0.01 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2f2e n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2f2e s ASP 23 N 2.45 0.00 0.00 1.61 1.47 -1.26 -4.93 116.67 116.01 2f2e s ASP 23 Ca 0.45 -1.04 0.23 0.00 1.18 0.00 0.00 52.55 53.38 2f2e s ASP 23 Cb 0.13 0.80 1.32 0.00 -0.34 0.00 0.00 42.92 44.83 2f2e s ASP 23 CO -0.06 -1.57 1.76 0.61 0.68 0.00 0.00 175.17 176.59 2f2e n GLY 24 N -0.51 -0.83 0.00 2.12 0.00 -1.26 -4.44 105.19 100.27 2f2e n GLY 24 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2f2e n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2f2e n TRP 25 N -1.09 0.00 0.00 1.61 7.02 -1.26 -4.83 117.44 118.89 2f2e n TRP 25 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2f2e n TRP 25 Cb 0.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 2f2e n TRP 25 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2f2e n SER 26 N -0.65 0.00 0.00 -0.99 7.64 -1.26 -1.54 113.62 116.82 2f2e n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2f2e n SER 26 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2f2e n SER 26 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2f2e n LEU 28 N 0.51 0.00 -0.16 -3.43 4.77 -1.26 -1.46 117.00 115.97 2f2e n LEU 28 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2f2e n LEU 28 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2f2e n LEU 28 CO 0.00 0.00 1.03 0.40 -1.33 0.00 0.00 177.39 177.49 2f2e h ILE 29 N 0.00 1.00 -0.51 -0.08 2.04 -1.69 -1.35 117.51 116.92 2f2e h ILE 29 Ca 0.00 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 2f2e h ILE 29 Cb 0.00 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2f2e h ILE 29 CO 0.00 0.10 0.09 0.58 0.00 0.00 0.00 178.15 178.92 2f2e h VAL 30 N 0.53 1.25 -0.60 1.67 2.07 -1.52 -0.95 116.25 118.70 2f2e h VAL 30 Ca 0.20 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 66.92 2f2e h VAL 30 Cb 0.07 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 2f2e h VAL 30 CO -0.12 0.33 -0.19 -0.09 0.02 0.00 0.00 177.57 177.52 2f2e h ARG 31 N 0.72 -0.04 -0.40 1.57 2.43 -1.78 -1.85 114.38 115.02 2f2e h ARG 31 Ca 0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2f2e h ARG 31 Cb 0.39 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2f2e h ARG 31 CO 0.01 -0.03 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.93 2f2e h ASP 32 N -0.04 0.66 -0.66 -3.80 3.32 -0.75 -2.57 116.42 112.58 2f2e h ASP 32 Ca 0.28 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2f2e h ASP 32 Cb 0.47 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2f2e h ASP 32 CO -0.63 0.77 0.38 0.00 -1.72 0.00 0.00 179.24 178.04 2f2e h ALA 33 N 1.29 0.84 0.00 3.45 0.00 -0.71 -0.80 119.26 123.33 2f2e h ALA 33 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2f2e h ALA 33 Cb 0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2f2e h ALA 33 CO 0.03 0.34 -0.03 0.74 0.00 0.00 0.00 179.25 180.32 2f2e h PHE 34 N 0.90 0.00 -0.20 0.00 0.04 -1.06 -1.01 116.94 115.61 2f2e h PHE 34 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2f2e h PHE 34 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2f2e h PHE 34 CO -0.01 0.03 0.00 0.39 -0.60 0.00 0.00 178.31 178.12 2f2e n GLU 35 N -3.17 1.93 -0.06 1.51 1.02 -0.37 -4.94 120.64 116.57 2f2e n GLU 35 Ca -0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 2f2e n GLU 35 Cb 0.26 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2f2e n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f2e n GLY 36 N 1.23 0.70 3.74 0.62 0.00 -0.38 -5.06 105.19 106.04 2f2e n GLY 36 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2f2e n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f2e s LEU 37 N 0.00 4.44 0.00 0.99 1.43 -0.82 -4.91 118.68 119.81 2f2e s LEU 37 Ca 0.00 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2f2e s LEU 37 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2f2e s LEU 37 CO 0.00 -0.42 0.00 0.35 0.23 0.00 0.00 176.35 176.51 2f2e n THR 38 N 2.51 0.00 -3.99 5.49 -2.24 -1.26 -4.27 114.28 110.52 2f2e n THR 38 Ca 0.05 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 2f2e n THR 38 Cb 0.44 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 2f2e n THR 38 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f2e s ARG 39 N -0.59 3.27 0.18 -0.78 0.52 -1.26 0.26 118.95 120.54 2f2e s ARG 39 Ca 0.00 -0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 2f2e s ARG 39 Cb 0.00 -2.99 0.13 0.00 0.52 0.00 0.00 34.95 32.61 2f2e s ARG 39 CO 0.00 0.66 1.62 0.35 0.02 0.00 0.00 175.30 177.95 2f2e h PHE 40 N 3.90 -0.54 -0.41 -0.53 3.57 -1.99 -0.00 116.94 120.94 2f2e h PHE 40 Ca -0.49 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.13 2f2e h PHE 40 Cb 1.18 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 2f2e h PHE 40 CO 0.65 -0.30 0.28 0.78 -2.23 0.00 0.00 178.31 177.50 2f2e h GLY 41 N -0.11 0.36 0.66 2.40 0.00 -1.97 -1.22 103.07 103.19 2f2e h GLY 41 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2f2e h GLY 41 CO -0.55 0.09 -0.07 0.83 0.00 0.00 0.00 176.54 176.84 2f2e h GLU 42 N 0.29 0.21 -0.90 4.80 5.08 -1.42 -2.20 114.58 120.44 2f2e h GLU 42 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2f2e h GLU 42 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2f2e h GLU 42 CO -0.04 0.62 0.57 0.74 -1.00 0.00 0.00 179.01 179.90 2f2e h PHE 43 N -0.20 1.15 -0.22 4.33 0.04 -0.69 -1.31 116.94 120.04 2f2e h PHE 43 Ca 0.02 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2f2e h PHE 43 Cb 0.57 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2f2e h PHE 43 CO 0.08 0.74 0.09 0.37 -0.60 0.00 0.00 178.31 179.00 2f2e h GLN 44 N 1.22 0.34 -0.57 1.51 -0.00 -1.20 0.18 115.11 116.58 2f2e h GLN 44 Ca 0.32 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.81 2f2e h GLN 44 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.31 2f2e h GLN 44 CO -0.07 0.38 -0.05 0.87 0.00 0.00 0.00 178.83 179.97 2f2e h LYS 45 N 0.21 1.04 -0.09 1.69 1.57 -1.25 -1.53 116.57 118.20 2f2e h LYS 45 Ca 0.08 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2f2e h LYS 45 Cb 0.17 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2f2e h LYS 45 CO -0.01 1.04 0.05 1.03 -0.57 0.00 0.00 179.45 180.99 2f2e h SER 46 N 0.93 0.11 0.65 0.86 0.87 -1.09 -3.35 113.55 112.54 2f2e h SER 46 Ca 0.16 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2f2e h SER 46 Cb 0.61 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2f2e h SER 46 CO 0.04 0.17 -1.06 0.18 -0.53 0.00 0.00 176.83 175.63 2f2e n LEU 47 N -4.97 0.64 -1.82 2.23 4.77 0.61 -4.94 117.00 113.52 2f2e n LEU 47 Ca -0.06 0.15 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 2f2e n LEU 47 Cb 0.07 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 2f2e n LEU 47 CO 0.34 -0.06 -0.19 0.61 -1.33 0.00 0.00 177.39 176.76 2f2e n GLY 48 N 1.28 0.98 3.77 -0.72 0.00 -0.58 -4.93 105.19 104.98 2f2e n GLY 48 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2f2e n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f2e s LEU 49 N -4.88 4.44 0.19 0.99 2.96 -1.26 -5.01 118.68 116.11 2f2e s LEU 49 Ca 0.00 1.21 -0.31 0.00 -0.22 0.00 0.00 54.13 54.80 2f2e s LEU 49 Cb 0.00 -2.95 -0.16 0.00 0.50 0.00 0.00 46.19 43.58 2f2e s LEU 49 CO 0.00 0.12 1.01 0.00 -1.32 0.00 0.00 176.35 176.16 2f2e n ALA 50 N 2.59 -1.23 0.34 5.97 0.00 -1.26 -4.65 120.51 122.27 2f2e n ALA 50 Ca -0.07 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.65 2f2e n ALA 50 Cb 0.51 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 2f2e n ALA 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2f2e h LYS 51 N 2.64 -0.87 -0.89 0.00 3.64 -1.97 0.18 116.57 119.30 2f2e h LYS 51 Ca -0.40 0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.22 2f2e h LYS 51 Cb 1.37 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 33.27 2f2e h LYS 51 CO 0.65 -0.58 0.44 -0.91 -2.27 0.00 0.00 179.45 176.78 2f2e h ASN 52 N -0.91 0.47 -0.06 4.20 2.35 -1.99 -0.16 115.58 119.48 2f2e h ASN 52 Ca -0.08 0.12 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 2f2e h ASN 52 Cb 0.73 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2f2e h ASN 52 CO 0.09 0.12 -0.61 0.40 -1.65 0.00 0.00 177.43 175.77 2f2e h ILE 53 N 0.53 1.31 -0.64 2.81 1.08 -1.75 -1.77 117.51 119.08 2f2e h ILE 53 Ca 0.53 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 2f2e h ILE 53 Cb 0.90 1.81 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 2f2e h ILE 53 CO -0.45 0.58 0.37 0.25 -0.69 0.00 0.00 178.15 178.22 2f2e h LEU 54 N 0.49 0.79 -0.44 1.44 5.85 -0.15 -2.08 115.31 121.21 2f2e h LEU 54 Ca -0.00 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2f2e h LEU 54 Cb 1.19 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2f2e h LEU 54 CO 0.12 0.63 0.15 0.00 -0.34 0.00 0.00 178.44 179.00 2f2e h ALA 55 N 1.19 0.53 -0.43 1.25 0.00 -0.86 -1.14 119.26 119.79 2f2e h ALA 55 Ca 0.23 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2f2e h ALA 55 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2f2e h ALA 55 CO -0.04 -0.24 0.27 0.00 0.00 0.00 0.00 179.25 179.24 2f2e h ALA 56 N 1.30 0.55 -0.26 0.00 0.00 -1.06 -1.35 119.26 118.42 2f2e h ALA 56 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2f2e h ALA 56 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f2e h ALA 56 CO -0.22 -0.04 -0.21 0.00 0.00 0.00 0.00 179.25 178.78 2f2e h ARG 57 N 0.55 0.48 0.25 0.00 3.08 -0.97 0.20 114.38 117.96 2f2e h ARG 57 Ca 0.16 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2f2e h ARG 57 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2f2e h ARG 57 CO -0.06 0.66 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.32 2f2e h LEU 58 N 0.43 -0.28 -1.10 3.04 3.38 -1.08 -0.88 115.31 118.83 2f2e h LEU 58 Ca 0.07 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 57.97 2f2e h LEU 58 Cb 0.61 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 2f2e h LEU 58 CO 0.04 0.11 0.61 0.03 0.09 0.00 0.00 178.44 179.32 2f2e h ARG 59 N -0.71 0.79 -0.44 1.13 3.08 -1.07 -1.19 114.38 115.97 2f2e h ARG 59 Ca -0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 2f2e h ARG 59 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2f2e h ARG 59 CO 0.06 0.52 -0.22 -0.97 -1.07 0.00 0.00 179.97 178.29 2f2e h ASN 60 N 0.81 0.90 -0.69 7.04 -0.00 -0.76 -1.26 115.58 121.63 2f2e h ASN 60 Ca 0.52 -0.33 0.07 0.00 -0.00 0.00 0.00 56.30 56.56 2f2e h ASN 60 Cb 0.73 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.76 2f2e h ASN 60 CO -0.29 1.08 0.45 -0.07 -0.00 0.00 0.00 177.43 178.60 2f2e h LEU 61 N 0.76 0.58 -0.16 0.34 3.38 -0.33 -1.59 115.31 118.30 2f2e h LEU 61 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2f2e h LEU 61 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2f2e h LEU 61 CO 0.06 0.37 0.02 0.58 0.09 0.00 0.00 178.44 179.56 2f2e h VAL 62 N 0.66 1.23 -0.69 1.22 2.07 -0.95 -0.39 116.25 119.40 2f2e h VAL 62 Ca 0.30 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2f2e h VAL 62 Cb 0.33 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2f2e h VAL 62 CO -0.10 0.23 0.44 -0.08 0.02 0.00 0.00 177.57 178.08 2f2e h GLU 63 N 0.04 0.93 -0.03 1.57 4.57 -0.94 -1.16 114.58 119.56 2f2e h GLU 63 Ca 0.05 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2f2e h GLU 63 Cb 0.33 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2f2e h GLU 63 CO 0.01 0.63 0.00 0.72 -1.18 0.00 0.00 179.01 179.19 2f2e n HIS 64 N -4.41 0.03 -1.01 0.92 8.25 -0.62 -4.91 115.22 113.46 2f2e n HIS 64 Ca 0.07 -0.02 -0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2f2e n HIS 64 Cb 0.05 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 2f2e n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f2e n GLY 65 N 0.96 0.47 0.19 -1.41 0.00 -0.44 -5.06 105.19 99.90 2f2e n GLY 65 Ca 0.18 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.02 2f2e n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f2e n VAL 66 N -2.95 0.00 -4.17 1.61 0.31 -0.19 -4.29 118.33 108.65 2f2e n VAL 66 Ca -0.00 -0.10 -0.14 0.00 -0.01 0.00 0.00 64.34 64.08 2f2e n VAL 66 Cb 0.03 -0.10 -0.11 0.00 -0.91 0.00 0.00 33.84 32.76 2f2e n VAL 66 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2f2e s VAL 68 N -2.00 0.93 -0.30 2.52 -7.23 0.45 -1.81 120.40 112.96 2f2e s VAL 68 Ca 0.44 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2f2e s VAL 68 Cb 0.21 -1.32 0.05 0.00 0.56 0.00 0.00 36.38 35.88 2f2e s VAL 68 CO 0.35 -0.54 0.01 0.00 -0.31 0.00 0.00 175.10 174.61 2f2e s ALA 69 N -2.37 2.83 0.11 1.32 0.00 -1.26 -1.04 121.76 121.35 2f2e s ALA 69 Ca 0.05 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.31 2f2e s ALA 69 Cb -0.03 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2f2e s ALA 69 CO 0.00 -1.29 -0.19 0.14 0.00 0.00 0.00 175.76 174.42 2f2e s VAL 70 N 1.26 1.63 0.25 0.00 -7.23 -0.06 -4.92 120.40 111.33 2f2e s VAL 70 Ca -0.05 -1.56 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 2f2e s VAL 70 Cb -0.20 -1.52 -0.13 0.00 0.56 0.00 0.00 36.38 35.10 2f2e s VAL 70 CO -0.01 -0.12 1.54 -0.81 -0.31 0.00 0.00 175.10 175.38 2f2e n PRO 71 N 1.01 2.41 -1.69 4.82 -0.04 -1.26 -0.25 135.00 140.00 2f2e n PRO 71 Ca -0.19 0.86 -0.44 0.00 -0.04 0.00 0.00 63.50 63.69 2f2e n PRO 71 Cb 0.54 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 2f2e n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f2e n ALA 72 N 2.34 1.32 0.30 0.55 0.00 0.17 -4.76 120.51 120.43 2f2e n ALA 72 Ca 0.11 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.08 2f2e n ALA 72 Cb 0.34 -2.29 0.60 0.00 0.00 0.00 0.00 19.45 18.10 2f2e n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2f2e h GLU 73 N 3.92 0.00 -2.84 0.00 5.08 -1.91 -3.34 114.58 115.48 2f2e h GLU 73 Ca -0.45 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.46 2f2e h GLU 73 Cb 1.27 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.13 2f2e h GLU 73 CO 0.73 0.00 -0.73 0.45 -1.00 0.00 0.00 179.01 178.46 2f2e s SER 74 N -4.41 2.40 0.00 1.42 0.15 -1.26 -5.13 113.70 106.87 2f2e s SER 74 Ca 0.01 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2f2e s SER 74 Cb 0.08 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2f2e s SER 74 CO 0.35 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2f2e n GLY 75 N 5.28 0.87 2.76 9.45 0.00 -1.26 -4.91 105.19 117.38 2f2e n GLY 75 Ca -0.06 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.33 2f2e n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2f2e n SER 76 N 0.32 5.46 -3.76 1.61 2.88 -1.26 -4.60 113.62 114.26 2f2e n SER 76 Ca 0.00 -3.59 -0.09 0.00 -1.33 0.00 0.00 58.87 53.85 2f2e n SER 76 Cb 0.00 -0.87 -0.03 0.00 -0.75 0.00 0.00 64.21 62.56 2f2e n SER 76 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2f2e s HIS 77 N -3.39 -0.11 0.03 0.66 0.00 -1.26 -5.07 115.29 106.15 2f2e s HIS 77 Ca 0.41 -0.24 -0.01 0.00 -3.00 0.00 0.00 55.06 52.22 2f2e s HIS 77 Cb 0.19 0.43 -0.04 0.00 -4.00 0.00 0.00 32.58 29.16 2f2e s HIS 77 CO -0.07 -0.97 0.20 -0.65 -1.00 0.00 0.00 174.74 172.25 2f2e s GLN 78 N -3.89 3.44 0.06 -0.38 -1.52 -1.26 -0.66 119.66 115.45 2f2e s GLN 78 Ca 0.10 -0.40 0.09 0.00 -1.95 0.00 0.00 55.36 53.20 2f2e s GLN 78 Cb -0.02 -3.06 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 2f2e s GLN 78 CO -0.01 0.63 -0.24 -1.21 -0.25 0.00 0.00 175.29 174.21 2f2e s GLU 79 N -2.30 1.82 -0.22 2.91 2.02 0.65 -4.57 118.70 119.01 2f2e s GLU 79 Ca 0.32 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 2f2e s GLU 79 Cb -0.13 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2f2e s GLU 79 CO 0.25 0.51 0.08 0.71 0.02 0.00 0.00 175.26 176.83 2f2e s TYR 80 N -0.88 3.18 -0.02 1.61 2.02 0.14 -0.88 117.35 122.52 2f2e s TYR 80 Ca 0.13 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 2f2e s TYR 80 Cb -0.10 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 2f2e s TYR 80 CO 0.04 -0.06 -0.13 1.03 -1.57 0.00 0.00 175.55 174.85 2f2e s ARG 81 N 0.97 1.19 0.45 -0.62 1.81 -0.20 -4.53 118.95 118.02 2f2e s ARG 81 Ca 0.04 -0.48 -0.25 0.00 -1.72 0.00 0.00 55.73 53.33 2f2e s ARG 81 Cb -0.14 -1.12 -0.08 0.00 -0.45 0.00 0.00 34.95 33.16 2f2e s ARG 81 CO 0.03 0.25 1.36 -0.51 -0.68 0.00 0.00 175.30 175.75 2f2e s LEU 82 N -0.17 4.11 0.76 2.53 1.43 -1.26 -0.41 118.68 125.68 2f2e s LEU 82 Ca 0.02 2.77 -0.03 0.00 -1.03 0.00 0.00 54.13 55.86 2f2e s LEU 82 Cb -0.07 -3.98 0.14 0.00 0.03 0.00 0.00 46.19 42.31 2f2e s LEU 82 CO 0.00 -1.09 1.05 0.42 0.23 0.00 0.00 176.35 176.96 2f2e s THR 83 N -1.25 2.11 0.20 5.49 -4.23 -0.75 -4.78 115.64 112.42 2f2e s THR 83 Ca 0.61 -0.49 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 2f2e s THR 83 Cb -0.40 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 70.99 2f2e s THR 83 CO 0.51 0.00 1.66 0.44 -0.54 0.00 0.00 174.62 176.69 2f2e h ASP 84 N -0.72 -0.36 -0.92 3.99 3.32 -1.90 0.24 116.42 120.08 2f2e h ASP 84 Ca -0.38 0.15 0.10 0.00 0.02 0.00 0.00 57.03 56.92 2f2e h ASP 84 Cb 1.26 0.28 -0.08 0.00 0.22 0.00 0.00 39.33 41.02 2f2e h ASP 84 CO 0.40 -0.13 0.56 0.50 -1.72 0.00 0.00 179.24 178.84 2f2e h LYS 85 N 0.06 0.89 -0.16 3.56 3.64 -1.89 -1.12 116.57 121.54 2f2e h LYS 85 Ca 0.27 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.40 2f2e h LYS 85 Cb 0.42 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2f2e h LYS 85 CO -0.51 0.59 -0.70 0.78 -2.27 0.00 0.00 179.45 177.34 2f2e h GLY 86 N 0.92 0.77 2.00 5.01 0.00 -1.42 -2.99 103.07 107.36 2f2e h GLY 86 Ca 0.44 -1.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 2f2e h GLY 86 CO -0.25 0.91 -0.31 -0.09 0.00 0.00 0.00 176.54 176.80 2f2e h ARG 87 N 0.49 0.00 0.00 4.80 9.65 -0.12 -2.39 114.38 126.81 2f2e h ARG 87 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2f2e h ARG 87 Cb 1.31 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2f2e h ARG 87 CO 0.14 0.31 0.00 0.00 2.80 0.00 0.00 179.97 183.22 2f2e n ALA 88 N -2.42 1.51 0.79 2.80 0.00 -0.46 -2.34 120.51 120.38 2f2e n ALA 88 Ca -0.02 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2f2e n ALA 88 Cb 0.37 -1.25 0.41 0.00 0.00 0.00 0.00 19.45 18.99 2f2e n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f2e n LEU 89 N -1.77 0.00 -0.07 0.00 4.77 -0.90 -4.20 117.00 114.83 2f2e n LEU 89 Ca 0.02 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2f2e n LEU 89 Cb 0.15 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2f2e n LEU 89 CO 0.13 -0.12 0.95 0.15 -1.33 0.00 0.00 177.39 177.16 2f2e h PHE 90 N 0.00 0.23 -0.54 -1.77 3.57 -1.69 0.19 116.94 116.93 2f2e h PHE 90 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2f2e h PHE 90 Cb 0.13 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 2f2e h PHE 90 CO 0.00 0.12 0.20 -1.35 -2.23 0.00 0.00 178.31 175.06 2f2e h PRO 91 N 0.27 0.38 -0.52 6.41 0.11 -1.87 -0.31 132.00 136.47 2f2e h PRO 91 Ca 0.12 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.26 2f2e h PRO 91 Cb 0.05 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 2f2e h PRO 91 CO -0.09 0.25 0.24 1.25 -0.21 0.00 0.00 178.00 179.44 2f2e h LEU 92 N 0.39 0.32 -0.13 2.35 6.46 -1.71 -0.55 115.31 122.44 2f2e h LEU 92 Ca 0.26 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.08 2f2e h LEU 92 Cb 0.29 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 2f2e h LEU 92 CO -0.26 0.22 -0.01 0.25 -0.62 0.00 0.00 178.44 178.02 2f2e h LEU 93 N 0.47 -0.06 -0.69 2.25 5.85 -0.32 -0.90 115.31 121.90 2f2e h LEU 93 Ca 0.24 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2f2e h LEU 93 Cb 0.18 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2f2e h LEU 93 CO -0.19 -0.01 0.38 0.58 -0.34 0.00 0.00 178.44 178.86 2f2e h VAL 94 N 0.03 0.95 -0.35 1.05 2.07 -0.70 -0.08 116.25 119.22 2f2e h VAL 94 Ca 0.06 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2f2e h VAL 94 Cb 0.07 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2f2e h VAL 94 CO -0.11 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.81 2f2e h ALA 95 N 1.37 0.44 0.39 1.67 0.00 -0.72 -0.04 119.26 122.37 2f2e h ALA 95 Ca 0.32 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2f2e h ALA 95 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2f2e h ALA 95 CO -0.20 -0.15 -0.21 0.82 0.00 0.00 0.00 179.25 179.51 2f2e h ILE 96 N 0.41 0.57 -0.62 0.00 2.04 -0.83 -1.67 117.51 117.42 2f2e h ILE 96 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 2f2e h ILE 96 Cb 0.01 0.57 -0.11 0.00 -0.74 0.00 0.00 36.82 36.55 2f2e h ILE 96 CO -0.07 0.00 -0.04 -0.09 0.00 0.00 0.00 178.15 177.95 2f2e h ARG 97 N -0.56 0.08 -0.38 2.37 2.43 -0.80 -0.78 114.38 116.74 2f2e h ARG 97 Ca -0.05 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 2f2e h ARG 97 Cb 0.44 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2f2e h ARG 97 CO 0.07 0.05 -0.34 1.96 -1.51 0.00 0.00 179.97 180.20 2f2e h GLN 98 N 0.08 0.91 -0.74 0.20 4.20 -0.83 0.13 115.11 119.06 2f2e h GLN 98 Ca 0.32 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 2f2e h GLN 98 Cb 0.51 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 2f2e h GLN 98 CO -0.57 1.12 0.40 2.35 -0.67 0.00 0.00 178.83 181.46 2f2e h TRP 99 N 0.72 1.02 -0.37 2.96 7.01 -1.04 0.13 115.95 126.39 2f2e h TRP 99 Ca 0.07 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2f2e h TRP 99 Cb 0.93 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 2f2e h TRP 99 CO 0.06 0.71 0.22 0.78 -2.79 0.00 0.00 178.44 177.42 2f2e h GLY 100 N 1.08 0.54 1.00 2.65 0.00 -0.63 -2.18 103.07 105.53 2f2e h GLY 100 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2f2e h GLY 100 CO -0.04 0.22 0.37 0.83 0.00 0.00 0.00 176.54 177.92 2f2e h GLU 101 N 0.48 0.76 -0.33 4.80 5.08 -0.17 -1.67 114.58 123.53 2f2e h GLU 101 Ca 0.13 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2f2e h GLU 101 Cb 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2f2e h GLU 101 CO -0.02 0.52 -0.18 -0.44 -1.00 0.00 0.00 179.01 177.89 2f2e h ASP 102 N 0.77 0.60 0.00 1.42 3.32 -0.64 -3.40 116.42 118.49 2f2e h ASP 102 Ca 0.21 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2f2e h ASP 102 Cb -0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2f2e h ASP 102 CO -0.04 0.79 0.00 -1.22 -1.72 0.00 0.00 179.24 177.04 2f2e n TYR 103 N -4.15 0.00 0.09 4.55 4.01 -0.83 -4.85 117.16 115.98 2f2e n TYR 103 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 2f2e n TYR 103 Cb 0.38 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.43 2f2e n TYR 103 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2f2e n PHE 104 N -0.03 0.03 -4.96 -0.72 3.72 -0.63 -5.01 117.46 109.86 2f2e n PHE 104 Ca 0.00 -0.12 -0.27 0.00 -0.05 0.00 0.00 57.45 57.01 2f2e n PHE 104 Cb 0.12 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.49 2f2e n PHE 104 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2f2e s PHE 105 N -0.45 1.84 0.60 1.38 0.08 -1.26 -5.05 117.98 115.13 2f2e s PHE 105 Ca 0.04 -0.43 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2f2e s PHE 105 Cb 0.03 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2f2e s PHE 105 CO 0.04 -0.10 1.01 0.00 -0.10 0.00 0.00 175.22 176.07 2f2e n ALA 106 N 2.81 0.31 0.30 5.36 0.00 -1.26 -4.88 120.51 123.16 2f2e n ALA 106 Ca -0.16 0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.48 2f2e n ALA 106 Cb 0.53 -2.14 0.96 0.00 0.00 0.00 0.00 19.45 18.80 2f2e n ALA 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2f2e h PRO 107 N 0.57 0.00 0.00 0.00 0.11 -2.01 0.04 132.00 130.71 2f2e h PRO 107 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f2e h PRO 107 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2f2e h PRO 107 CO 0.51 0.03 0.00 -3.47 -0.21 0.00 0.00 178.00 174.87 2f2e n ASP 108 N -3.36 0.00 -4.86 -2.05 -0.08 -1.26 -4.88 116.55 100.07 2f2e n ASP 108 Ca -0.02 0.44 -0.37 0.00 -1.51 0.00 0.00 54.79 53.33 2f2e n ASP 108 Cb 0.15 -0.48 -0.06 0.00 2.34 0.00 0.00 41.12 43.08 2f2e n ASP 108 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2f2e s GLU 109 N -2.95 3.59 0.23 -0.67 2.02 -0.00 -5.09 118.70 115.82 2f2e s GLU 109 Ca 0.12 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.11 2f2e s GLU 109 Cb 0.14 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2f2e s GLU 109 CO 0.39 0.72 0.34 -1.12 0.02 0.00 0.00 175.26 175.61 2f2e s SER 110 N -0.90 6.29 0.24 -0.19 0.01 -1.26 -4.86 113.70 113.03 2f2e s SER 110 Ca 0.16 0.07 -0.19 0.00 1.31 0.00 0.00 55.95 57.30 2f2e s SER 110 Cb -0.13 -1.85 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2f2e s SER 110 CO 0.05 -0.05 0.63 -1.38 0.41 0.00 0.00 173.24 172.90 2f2e s HIS 111 N -1.95 -0.14 0.89 2.43 -3.43 -1.26 -5.13 115.29 106.71 2f2e s HIS 111 Ca 0.34 -0.25 -0.10 0.00 -0.80 0.00 0.00 55.06 54.24 2f2e s HIS 111 Cb -0.09 0.55 0.13 0.00 -1.43 0.00 0.00 32.58 31.74 2f2e s HIS 111 CO 0.29 -1.09 1.15 0.14 -2.00 0.00 0.00 174.74 173.23 2f2e s VAL 112 N -3.90 2.16 0.02 -5.38 -7.23 -1.26 -5.05 120.40 99.76 2f2e s VAL 112 Ca 0.11 0.05 0.05 0.00 -1.81 0.00 0.00 61.98 60.39 2f2e s VAL 112 Cb -0.04 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2f2e s VAL 112 CO 0.03 -0.07 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.46 2f2e s ARG 113 N -4.63 1.18 -0.21 4.82 0.52 -1.26 -5.11 118.95 114.26 2f2e s ARG 113 Ca 0.67 -0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 54.91 2f2e s ARG 113 Cb -0.23 -1.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.04 2f2e s ARG 113 CO 0.57 0.31 0.82 -1.17 0.02 0.00 0.00 175.30 175.86 2f2e s LEU 114 N -0.82 4.12 0.15 2.53 2.96 -1.26 -5.05 118.68 121.31 2f2e s LEU 114 Ca 0.05 1.08 0.07 0.00 -0.22 0.00 0.00 54.13 55.11 2f2e s LEU 114 Cb -0.07 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2f2e s LEU 114 CO 0.01 -0.47 -0.15 0.68 -1.32 0.00 0.00 176.35 175.10 2f2e s VAL 115 N 2.56 1.57 0.17 1.68 -7.23 -1.26 -0.69 120.40 117.20 2f2e s VAL 115 Ca 0.36 -1.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.31 2f2e s VAL 115 Cb -0.16 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 2f2e s VAL 115 CO 0.09 -0.44 1.48 -1.61 -0.31 0.00 0.00 175.10 174.31 2f2e s GLU 116 N -2.99 4.26 0.25 4.82 2.02 -0.28 -4.81 118.70 121.98 2f2e s GLU 116 Ca 0.14 2.26 -0.05 0.00 0.02 0.00 0.00 54.97 57.34 2f2e s GLU 116 Cb -0.04 -3.17 0.27 0.00 0.10 0.00 0.00 34.13 31.30 2f2e s GLU 116 CO 0.05 -0.50 1.87 0.00 0.02 0.00 0.00 175.26 176.70 2f2e h ARG 117 N 6.28 1.19 0.56 1.61 3.08 -1.92 0.48 114.38 125.67 2f2e h ARG 117 Ca -0.43 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.45 2f2e h ARG 117 Cb 1.21 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.03 2f2e h ARG 117 CO 0.86 0.87 -0.27 0.22 -1.07 0.00 0.00 179.97 180.58 2f2e h ASP 118 N 1.20 -0.63 0.15 7.04 3.58 -1.98 -3.36 116.42 122.41 2f2e h ASP 118 Ca 0.30 0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.57 2f2e h ASP 118 Cb 0.03 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2f2e h ASP 118 CO -0.05 -0.36 -2.04 -1.54 -2.88 0.00 0.00 179.24 172.37 2f2e n SER 119 N -4.53 0.19 -4.76 2.28 3.41 -1.23 -5.08 113.62 103.89 2f2e n SER 119 Ca -0.09 0.08 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 2f2e n SER 119 Cb 0.30 1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 65.38 2f2e n SER 119 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2f2e s GLY 120 N -5.00 2.92 -0.01 5.00 0.00 0.17 -4.99 107.32 105.41 2f2e s GLY 120 Ca -0.08 1.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 2f2e s GLY 120 CO 0.85 1.87 0.02 -1.06 0.00 0.00 0.00 173.10 174.78 2f2e n GLN 121 N 1.14 -1.15 -1.70 2.90 1.13 -1.26 -4.70 117.38 113.75 2f2e n GLN 121 Ca 0.01 1.23 -0.41 0.00 -1.94 0.00 0.00 57.00 55.89 2f2e n GLN 121 Cb 0.42 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 29.16 2f2e n GLN 121 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2f2e n PRO 122 N 0.41 1.87 -2.09 -1.09 -0.02 -1.26 -1.12 135.00 131.70 2f2e n PRO 122 Ca -0.03 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2f2e n PRO 122 Cb 0.05 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 2f2e n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2f2e s VAL 123 N -1.21 2.97 0.56 -1.45 1.01 0.14 -4.72 120.40 117.70 2f2e s VAL 123 Ca 0.62 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 2f2e s VAL 123 Cb -0.50 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 2f2e s VAL 123 CO 0.57 0.08 0.90 -2.65 0.00 0.00 0.00 175.10 174.01 2f2e n PRO 124 N 3.28 0.92 -1.68 2.72 -0.02 -1.26 -4.91 135.00 134.05 2f2e n PRO 124 Ca 0.10 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 2f2e n PRO 124 Cb 0.41 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2f2e n PRO 124 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2f2e n ARG 125 N -0.61 2.06 -1.05 -0.52 0.63 -1.26 -4.96 116.66 110.95 2f2e n ARG 125 Ca 0.12 0.73 -0.31 0.00 -0.92 0.00 0.00 57.85 57.47 2f2e n ARG 125 Cb 0.46 -2.33 0.13 0.00 0.45 0.00 0.00 32.46 31.17 2f2e n ARG 125 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2f2e s LEU 126 N -0.53 2.78 -0.19 6.15 0.20 -1.26 -5.05 118.68 120.79 2f2e s LEU 126 Ca 0.60 1.88 -0.07 0.00 0.69 0.00 0.00 54.13 57.23 2f2e s LEU 126 Cb -0.60 -4.41 0.08 0.00 -0.43 0.00 0.00 46.19 40.83 2f2e s LEU 126 CO 0.57 -2.54 0.41 -1.58 -0.29 0.00 0.00 176.35 172.92 2f2e s GLN 127 N -4.81 0.32 0.15 1.98 2.00 -1.26 -5.12 119.66 112.92 2f2e s GLN 127 Ca 0.63 0.96 -0.31 0.00 -2.00 0.00 0.00 55.36 54.64 2f2e s GLN 127 Cb -0.19 0.22 -0.08 0.00 0.80 0.00 0.00 33.01 33.76 2f2e s GLN 127 CO 0.57 -0.23 1.39 0.08 -0.50 0.00 0.00 175.29 176.60 2f2e s VAL 128 N 2.32 3.18 0.09 1.34 1.01 -1.26 -4.99 120.40 122.09 2f2e s VAL 128 Ca -0.03 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.87 2f2e s VAL 128 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2f2e s VAL 128 CO -0.12 0.09 -0.14 -0.13 0.00 0.00 0.00 175.10 174.80 2f2e s ARG 129 N 0.76 0.89 0.93 2.72 0.52 -1.26 -1.38 118.95 122.13 2f2e s ARG 129 Ca 0.63 -1.07 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 2f2e s ARG 129 Cb -0.38 -0.81 0.15 0.00 0.52 0.00 0.00 34.95 34.43 2f2e s ARG 129 CO 0.33 0.17 1.15 0.00 0.02 0.00 0.00 175.30 176.96 2f2e s ALA 130 N -1.71 1.74 0.40 2.13 0.00 0.29 -4.83 121.76 119.77 2f2e s ALA 130 Ca 0.03 -0.58 0.16 0.00 0.00 0.00 0.00 51.96 51.56 2f2e s ALA 130 Cb -0.07 -3.01 1.02 0.00 0.00 0.00 0.00 23.12 21.06 2f2e s ALA 130 CO 0.02 -2.36 1.83 0.78 0.00 0.00 0.00 175.76 176.04 2f2e h GLY 131 N -1.56 1.05 0.88 0.00 0.00 -2.02 0.00 103.07 101.43 2f2e h GLY 131 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2f2e h GLY 131 CO 0.59 -0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.20 2f2e n ASP 132 N -4.56 0.00 0.00 0.19 5.75 -1.26 -4.90 116.55 111.77 2f2e n ASP 132 Ca 0.20 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2f2e n ASP 132 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2f2e n ASP 132 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f2e n GLY 133 N 0.91 1.14 3.80 6.12 0.00 -0.01 -5.06 105.19 112.09 2f2e n GLY 133 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2f2e n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f2e s SER 134 N -2.92 7.11 0.31 1.61 1.04 -1.26 -4.68 113.70 114.91 2f2e s SER 134 Ca 0.00 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 2f2e s SER 134 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.46 2f2e s SER 134 CO 0.00 -0.19 1.31 -2.65 0.98 0.00 0.00 173.24 172.70 2f2e n PRO 135 N 0.01 2.08 -4.10 4.02 -0.02 -1.26 -0.55 135.00 135.18 2f2e n PRO 135 Ca 0.04 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 2f2e n PRO 135 Cb 0.52 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 2f2e n PRO 135 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2f2e s LEU 136 N -0.63 1.55 0.42 2.45 2.96 -0.48 -4.74 118.68 120.22 2f2e s LEU 136 Ca 0.59 -0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 53.89 2f2e s LEU 136 Cb -0.60 -1.05 -0.11 0.00 0.50 0.00 0.00 46.19 44.94 2f2e s LEU 136 CO 0.58 -0.06 0.92 0.00 -1.32 0.00 0.00 176.35 176.48 2f2e s ALA 137 N 1.42 3.08 0.31 5.97 0.00 -1.26 -4.66 121.76 126.62 2f2e s ALA 137 Ca 0.02 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.40 2f2e s ALA 137 Cb -0.13 -3.10 0.84 0.00 0.00 0.00 0.00 23.12 20.73 2f2e s ALA 137 CO -0.08 0.15 1.72 0.00 0.00 0.00 0.00 175.76 177.55 2f2e h ALA 138 N 1.93 1.67 0.00 0.00 0.00 -1.99 -0.55 119.26 120.32 2f2e h ALA 138 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2f2e h ALA 138 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2f2e h ALA 138 CO 0.62 -0.30 0.00 1.05 0.00 0.00 0.00 179.25 180.62 2f2e h GLU 139 N 0.52 0.00 -0.55 0.00 9.09 -2.05 -1.34 114.58 120.25 2f2e h GLU 139 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 2f2e h GLU 139 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2f2e h GLU 139 CO -0.50 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.31 2f2e n ASP 140 N -2.61 2.88 -4.48 3.06 8.00 -0.22 -4.89 116.55 118.29 2f2e n ASP 140 Ca 0.01 -2.19 -0.23 0.00 0.71 0.00 0.00 54.79 53.10 2f2e n ASP 140 Cb 0.26 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 2f2e n ASP 140 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2f2e s THR 141 N -1.63 1.45 0.20 -3.53 -4.23 -0.51 -4.93 115.64 102.46 2f2e s THR 141 Ca 0.31 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.65 2f2e s THR 141 Cb 0.19 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2f2e s THR 141 CO 0.17 -0.06 0.45 0.00 -0.54 0.00 0.00 174.62 174.64 2f2e s ARG 142 N -3.82 1.36 -0.23 3.99 1.70 -1.26 -5.02 118.95 115.66 2f2e s ARG 142 Ca 0.35 -1.03 -0.10 0.00 -0.47 0.00 0.00 55.73 54.48 2f2e s ARG 142 Cb 0.08 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 2f2e s ARG 142 CO 0.15 -0.56 0.14 0.08 -1.08 0.00 0.00 175.30 174.04 2f2e s VAL 143 N -3.93 5.24 -0.07 4.99 1.01 -1.26 -5.08 120.40 121.30 2f2e s VAL 143 Ca 0.14 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2f2e s VAL 143 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2f2e s VAL 143 CO 0.00 0.36 -0.24 -0.55 0.00 0.00 0.00 175.10 174.68 2f2e s SER 144 N 0.97 2.98 0.00 3.32 0.15 -1.26 -4.98 113.70 114.89 2f2e s SER 144 Ca 0.07 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2f2e s SER 144 Cb -0.13 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 2f2e s SER 144 CO 0.04 0.21 0.57 0.54 1.20 0.00 0.00 173.24 175.80 2f2e n ARG 145 N 3.13 0.80 0.00 5.44 1.74 -1.26 -5.27 116.66 121.24 2f2e n ARG 145 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2f2e n ARG 145 Cb 0.52 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2f2e n ARG 145 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86