#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oaf s GLN 2 N 0.00 0.28 0.63 3.23 0.74 -1.26 -5.19 119.66 118.09 2oaf s GLN 2 Ca 0.00 0.05 -0.18 0.00 0.05 0.00 0.00 55.36 55.28 2oaf s GLN 2 Cb 0.00 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.22 2oaf s GLN 2 CO 0.00 -0.05 1.22 -1.25 -0.55 0.00 0.00 175.29 174.66 2oaf s PRO 3 N -0.34 2.75 0.18 1.67 0.04 -1.26 -4.95 135.00 133.10 2oaf s PRO 3 Ca -0.04 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2oaf s PRO 3 Cb -0.03 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2oaf s PRO 3 CO 0.01 -1.38 1.04 -0.98 0.04 0.00 0.00 177.00 175.73 2oaf s ARG 4 N -3.48 4.66 0.61 4.56 1.70 -1.26 -5.02 118.95 120.72 2oaf s ARG 4 Ca 0.77 1.62 -0.13 0.00 -0.47 0.00 0.00 55.73 57.52 2oaf s ARG 4 Cb -0.31 -3.30 -0.04 0.00 -0.57 0.00 0.00 34.95 30.74 2oaf s ARG 4 CO 0.37 0.19 1.03 -1.25 -1.08 0.00 0.00 175.30 174.55 2oaf s PRO 5 N -0.48 3.45 0.54 3.89 0.04 -1.26 -4.95 135.00 136.23 2oaf s PRO 5 Ca 0.47 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.71 2oaf s PRO 5 Cb -0.28 -2.06 1.40 0.00 0.04 0.00 0.00 34.50 33.61 2oaf s PRO 5 CO 0.34 -0.69 2.02 -0.44 0.04 0.00 0.00 177.00 178.27 2oaf h ASP 6 N 0.05 0.00 0.35 6.66 5.19 -2.04 -2.56 116.42 124.07 2oaf h ASP 6 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2oaf h ASP 6 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2oaf h ASP 6 CO 0.59 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.17 2oaf n SER 7 N -4.34 0.00 -4.76 6.45 3.41 -1.26 -4.93 113.62 108.20 2oaf n SER 7 Ca 0.07 -0.42 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 2oaf n SER 7 Cb 0.51 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2oaf n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oaf s ALA 8 N -2.37 3.65 0.33 7.33 0.00 -0.97 -4.95 121.76 124.79 2oaf s ALA 8 Ca 0.34 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 2oaf s ALA 8 Cb 0.20 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2oaf s ALA 8 CO 0.41 -0.88 1.41 0.12 0.00 0.00 0.00 175.76 176.82 2oaf s PHE 9 N -0.33 2.86 -0.20 0.00 5.36 -0.98 -4.76 117.98 119.93 2oaf s PHE 9 Ca 0.58 1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 57.77 2oaf s PHE 9 Cb -0.45 -3.84 0.00 0.00 -0.34 0.00 0.00 43.02 38.39 2oaf s PHE 9 CO 0.50 -2.48 -0.12 0.08 -1.46 0.00 0.00 175.22 171.73 2oaf s VAL 10 N -0.89 2.73 -0.22 3.12 1.01 -1.26 0.49 120.40 125.38 2oaf s VAL 10 Ca 0.53 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2oaf s VAL 10 Cb -0.43 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2oaf s VAL 10 CO 0.55 0.48 0.08 -2.28 0.00 0.00 0.00 175.10 173.94 2oaf s HIS 11 N 1.32 3.20 0.02 5.22 2.46 -0.26 -4.91 115.29 122.33 2oaf s HIS 11 Ca 0.04 -0.06 -0.26 0.00 0.47 0.00 0.00 55.06 55.25 2oaf s HIS 11 Cb -0.14 -2.17 -0.05 0.00 -0.13 0.00 0.00 32.58 30.10 2oaf s HIS 11 CO -0.07 -0.03 0.83 -0.51 -2.47 0.00 0.00 174.74 172.48 2oaf s ASP 12 N 0.92 7.24 -0.13 9.88 1.01 -1.26 -0.68 116.67 133.65 2oaf s ASP 12 Ca 0.04 1.48 0.03 0.00 0.71 0.00 0.00 52.55 54.82 2oaf s ASP 12 Cb -0.14 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2oaf s ASP 12 CO 0.03 -0.09 -0.22 -0.69 0.21 0.00 0.00 175.17 174.41 2oaf s VAL 13 N 0.38 2.01 -0.29 -1.27 1.01 0.28 -4.98 120.40 117.56 2oaf s VAL 13 Ca 0.42 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 2oaf s VAL 13 Cb -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2oaf s VAL 13 CO 0.24 0.54 0.86 -0.60 0.00 0.00 0.00 175.10 176.14 2oaf s ARG 14 N 0.69 4.06 -0.09 2.72 3.52 -1.26 -0.76 118.95 127.83 2oaf s ARG 14 Ca -0.10 0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 56.20 2oaf s ARG 14 Cb -0.16 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 2oaf s ARG 14 CO 0.01 -0.67 0.25 0.08 -0.81 0.00 0.00 175.30 174.16 2oaf s VAL 15 N 3.05 5.31 0.27 7.11 1.01 -1.26 -5.00 120.40 130.90 2oaf s VAL 15 Ca 0.36 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2oaf s VAL 15 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2oaf s VAL 15 CO 0.11 0.57 0.14 0.42 0.00 0.00 0.00 175.10 176.35 2oaf s THR 16 N -0.83 0.31 0.27 3.92 -4.23 -1.26 -4.23 115.64 109.60 2oaf s THR 16 Ca 0.18 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2oaf s THR 16 Cb -0.14 -2.54 0.39 0.00 1.34 0.00 0.00 72.50 71.55 2oaf s THR 16 CO 0.07 0.00 1.40 1.87 -0.54 0.00 0.00 174.62 177.42 2oaf n TRP 17 N -0.50 0.49 0.31 3.99 -0.00 -1.26 -0.64 117.44 119.83 2oaf n TRP 17 Ca 0.01 1.08 0.16 0.00 -0.00 0.00 0.00 57.50 58.76 2oaf n TRP 17 Cb 0.65 -1.13 0.69 0.00 -0.00 0.00 0.00 31.31 31.53 2oaf n TRP 17 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2oaf h GLY 18 N 0.00 0.00 1.79 5.87 0.00 -2.02 -1.25 103.07 107.47 2oaf h GLY 18 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2oaf h GLY 18 CO -0.87 0.00 -0.13 1.22 0.00 0.00 0.00 176.54 176.76 2oaf n ASP 19 N -2.87 0.46 -4.90 0.19 8.00 0.18 -4.93 116.55 112.69 2oaf n ASP 19 Ca 0.01 0.41 -0.32 0.00 0.71 0.00 0.00 54.79 55.60 2oaf n ASP 19 Cb 0.26 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2oaf n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oaf s ASP 21 N -2.35 4.78 0.01 0.00 1.47 -0.28 -4.78 116.67 115.52 2oaf s ASP 21 Ca 0.39 -0.59 0.03 0.00 1.18 0.00 0.00 52.55 53.56 2oaf s ASP 21 Cb -0.12 0.08 0.12 0.00 -0.34 0.00 0.00 42.92 42.66 2oaf s ASP 21 CO 0.24 -1.55 1.09 -2.65 0.68 0.00 0.00 175.17 172.97 2oaf n PRO 22 N -2.50 0.00 0.00 2.11 -0.02 -1.26 -0.95 135.00 132.38 2oaf n PRO 22 Ca 0.15 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 2oaf n PRO 22 Cb 0.61 -1.51 0.88 0.00 -0.02 0.00 0.00 33.50 33.45 2oaf n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oaf n ALA 23 N -1.51 2.66 -1.60 3.55 0.00 -1.26 -4.91 120.51 117.44 2oaf n ALA 23 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2oaf n ALA 23 Cb 0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 2oaf n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2oaf n LYS 24 N -0.93 -0.39 -4.30 0.00 5.02 -0.12 -5.02 118.16 112.40 2oaf n LYS 24 Ca 0.22 0.48 -0.16 0.00 -2.02 0.00 0.00 58.31 56.83 2oaf n LYS 24 Cb 0.15 -4.24 -0.10 0.00 -0.02 0.00 0.00 35.03 30.82 2oaf n LYS 24 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2oaf s ILE 25 N -2.23 0.91 0.22 -0.18 -4.36 -1.26 -4.91 121.20 109.39 2oaf s ILE 25 Ca 0.00 -2.02 -0.32 0.00 -0.26 0.00 0.00 60.65 58.06 2oaf s ILE 25 Cb 0.00 -2.30 -0.12 0.00 1.25 0.00 0.00 42.46 41.29 2oaf s ILE 25 CO 0.00 -0.34 1.70 0.00 0.24 0.00 0.00 174.94 176.53 2oaf s ALA 26 N -3.51 3.90 0.28 2.27 0.00 0.31 -1.12 121.76 123.89 2oaf s ALA 26 Ca 0.28 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 2oaf s ALA 26 Cb 0.06 -3.69 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2oaf s ALA 26 CO 0.08 -0.93 1.49 -0.47 0.00 0.00 0.00 175.76 175.93 2oaf s TYR 27 N 0.96 2.89 0.31 0.00 5.04 -0.44 -4.78 117.35 121.33 2oaf s TYR 27 Ca 0.73 0.97 0.06 0.00 -2.44 0.00 0.00 57.07 56.38 2oaf s TYR 27 Cb -0.49 -3.92 0.74 0.00 0.35 0.00 0.00 41.96 38.64 2oaf s TYR 27 CO 0.35 -2.98 1.78 1.15 -1.34 0.00 0.00 175.55 174.51 2oaf h THR 28 N 3.42 0.71 -0.01 4.34 2.02 -1.91 -0.33 112.91 121.15 2oaf h THR 28 Ca -0.47 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2oaf h THR 28 Cb 1.22 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2oaf h THR 28 CO 0.77 0.14 0.05 1.23 0.37 0.00 0.00 175.52 178.08 2oaf h GLY 29 N 0.77 0.00 0.95 2.16 0.00 -1.97 -1.69 103.07 103.28 2oaf h GLY 29 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2oaf h GLY 29 CO -0.37 0.00 -1.02 1.42 0.00 0.00 0.00 176.54 176.57 2oaf n HIS 30 N -3.25 0.87 -0.27 5.60 8.25 -0.14 -4.41 115.22 121.87 2oaf n HIS 30 Ca -0.03 0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2oaf n HIS 30 Cb 0.12 -0.89 0.09 0.00 1.12 0.00 0.00 29.99 30.43 2oaf n HIS 30 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2oaf h LEU 31 N 0.00 1.05 -1.15 2.41 3.38 -1.28 -2.05 115.31 117.67 2oaf h LEU 31 Ca 0.00 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2oaf h LEU 31 Cb 0.97 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2oaf h LEU 31 CO 0.00 0.93 0.58 -0.65 0.09 0.00 0.00 178.44 179.39 2oaf h PRO 32 N 1.12 1.04 -0.62 1.13 0.11 -1.77 -1.69 132.00 131.32 2oaf h PRO 32 Ca 0.26 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.36 2oaf h PRO 32 Cb 0.20 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.02 2oaf h PRO 32 CO -0.02 0.69 0.34 -0.09 -0.21 0.00 0.00 178.00 178.70 2oaf h ARG 33 N 1.08 0.61 -0.51 1.05 2.43 -1.63 -0.57 114.38 116.83 2oaf h ARG 33 Ca 0.37 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2oaf h ARG 33 Cb 0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2oaf h ARG 33 CO -0.12 0.40 0.22 0.74 -1.51 0.00 0.00 179.97 179.70 2oaf h PHE 34 N 0.63 0.77 -0.76 2.20 0.04 -1.10 -1.14 116.94 117.59 2oaf h PHE 34 Ca 0.27 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 2oaf h PHE 34 Cb 0.17 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2oaf h PHE 34 CO -0.09 0.63 0.27 0.00 -0.60 0.00 0.00 178.31 178.53 2oaf h ALA 35 N 1.06 1.05 -0.58 2.45 0.00 -0.92 -2.35 119.26 119.97 2oaf h ALA 35 Ca 0.17 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2oaf h ALA 35 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2oaf h ALA 35 CO -0.02 0.66 -0.05 -0.07 0.00 0.00 0.00 179.25 179.77 2oaf h LEU 36 N 1.11 1.05 -1.18 0.00 4.07 -0.98 -2.15 115.31 117.24 2oaf h LEU 36 Ca 0.25 -0.32 0.08 0.00 0.08 0.00 0.00 57.88 57.96 2oaf h LEU 36 Cb 0.26 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 2oaf h LEU 36 CO -0.01 1.12 0.58 -0.08 -1.08 0.00 0.00 178.44 178.97 2oaf h GLU 37 N 0.95 0.93 -0.47 1.13 4.81 -0.98 0.58 114.58 121.53 2oaf h GLU 37 Ca 0.16 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2oaf h GLU 37 Cb 0.62 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2oaf h GLU 37 CO 0.04 0.62 0.21 0.00 -0.73 0.00 0.00 179.01 179.15 2oaf h ALA 38 N 1.53 0.61 -0.33 2.92 0.00 -0.97 -0.20 119.26 122.82 2oaf h ALA 38 Ca 0.40 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2oaf h ALA 38 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2oaf h ALA 38 CO -0.16 0.20 -0.07 0.82 0.00 0.00 0.00 179.25 180.04 2oaf h ILE 39 N 0.62 1.28 -0.86 0.00 2.04 -0.75 -0.70 117.51 119.14 2oaf h ILE 39 Ca 0.16 -1.12 0.11 0.00 1.00 0.00 0.00 64.86 65.01 2oaf h ILE 39 Cb 0.16 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 2oaf h ILE 39 CO -0.02 0.36 0.49 -0.78 0.00 0.00 0.00 178.15 178.21 2oaf h ASP 40 N 0.42 0.69 0.26 1.72 3.58 -0.76 -1.43 116.42 120.89 2oaf h ASP 40 Ca 0.09 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 2oaf h ASP 40 Cb 0.56 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2oaf h ASP 40 CO 0.03 0.37 -0.34 0.00 -2.88 0.00 0.00 179.24 176.43 2oaf h ALA 41 N 1.49 1.32 -0.23 -0.78 0.00 -0.69 -1.98 119.26 118.39 2oaf h ALA 41 Ca 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2oaf h ALA 41 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2oaf h ALA 41 CO -0.27 0.48 0.09 2.35 0.00 0.00 0.00 179.25 181.90 2oaf h TRP 42 N 0.11 0.34 -0.81 0.00 7.01 -0.10 -1.22 115.95 121.28 2oaf h TRP 42 Ca 0.01 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.00 2oaf h TRP 42 Cb 0.65 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 2oaf h TRP 42 CO 0.01 0.37 0.53 -1.49 -2.79 0.00 0.00 178.44 175.07 2oaf h TRP 43 N 0.22 1.01 -0.82 2.65 4.06 -1.12 -1.28 115.95 120.66 2oaf h TRP 43 Ca 0.08 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.08 2oaf h TRP 43 Cb 0.17 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 27.94 2oaf h TRP 43 CO -0.01 0.63 0.53 0.77 -3.56 0.00 0.00 178.44 176.80 2oaf h SER 44 N 1.09 0.87 -0.26 -3.49 0.02 -1.13 0.18 113.55 110.83 2oaf h SER 44 Ca 0.30 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 2oaf h SER 44 Cb -0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2oaf h SER 44 CO -0.07 0.60 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.07 2oaf h GLU 45 N 1.03 0.51 0.00 3.45 4.57 -0.54 -2.98 114.58 120.61 2oaf h GLU 45 Ca 0.32 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2oaf h GLU 45 Cb -0.00 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2oaf h GLU 45 CO -0.11 0.74 -1.83 0.66 -1.18 0.00 0.00 179.01 177.29 2oaf n TYR 46 N -4.52 0.00 -0.10 0.92 4.01 -0.55 -4.68 117.16 112.24 2oaf n TYR 46 Ca -0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.51 2oaf n TYR 46 Cb 0.32 -0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 38.84 2oaf n TYR 46 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2oaf n HIS 47 N -2.14 0.00 0.00 -0.72 -0.00 0.54 -5.00 115.22 107.90 2oaf n HIS 47 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2oaf n HIS 47 Cb 0.50 -0.71 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 2oaf n HIS 47 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2oaf n GLY 48 N 1.95 3.04 3.66 1.57 0.00 -0.72 -5.01 105.19 109.67 2oaf n GLY 48 Ca -0.38 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2oaf n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oaf n PRO 49 N -0.95 1.67 -0.14 1.61 -0.02 -1.23 -3.16 135.00 132.79 2oaf n PRO 49 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2oaf n PRO 49 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2oaf n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oaf n GLY 50 N 0.98 0.72 7.00 -1.23 0.00 -1.26 -4.68 105.19 106.72 2oaf n GLY 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2oaf n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oaf n GLY 51 N -2.06 2.57 0.29 -0.02 0.00 -1.19 -1.33 105.19 103.45 2oaf n GLY 51 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2oaf n GLY 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2oaf h TRP 52 N 0.00 0.43 0.01 1.61 6.55 -1.93 -1.07 115.95 121.54 2oaf h TRP 52 Ca 0.00 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 2oaf h TRP 52 Cb 0.00 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 2oaf h TRP 52 CO 0.00 0.32 -0.00 -0.92 -1.05 0.00 0.00 178.44 176.79 2oaf h TYR 53 N 0.44 -0.01 0.05 0.49 3.20 -1.63 0.17 116.97 119.69 2oaf h TYR 53 Ca 0.11 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2oaf h TYR 53 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2oaf h TYR 53 CO 0.00 0.05 -0.02 1.25 -1.64 0.00 0.00 178.16 177.80 2oaf h HIS 54 N -0.07 -0.06 -0.32 -3.82 2.76 -1.06 -0.21 115.15 112.37 2oaf h HIS 54 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2oaf h HIS 54 Cb 0.06 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.98 2oaf h HIS 54 CO -0.06 0.00 -0.12 1.25 -1.30 0.00 0.00 177.93 177.70 2oaf h LEU 55 N -0.11 -0.42 -0.00 0.26 5.85 -0.94 0.25 115.31 120.20 2oaf h LEU 55 Ca -0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2oaf h LEU 55 Cb 0.09 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2oaf h LEU 55 CO 0.01 -0.15 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.84 2oaf h GLU 56 N -0.06 0.03 0.00 1.25 4.81 -0.36 -1.50 114.58 118.74 2oaf h GLU 56 Ca 0.16 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2oaf h GLU 56 Cb 0.30 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2oaf h GLU 56 CO -0.36 0.80 -1.04 -0.07 -0.73 0.00 0.00 179.01 177.61 2oaf h LEU 57 N -0.73 0.00 0.00 1.64 3.38 -1.02 -2.61 115.31 115.97 2oaf h LEU 57 Ca -0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2oaf h LEU 57 Cb 0.81 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2oaf h LEU 57 CO 0.01 0.56 -2.48 0.47 0.09 0.00 0.00 178.44 177.09 2oaf n ASP 58 N -3.04 1.99 0.01 -0.43 8.00 0.05 -4.59 116.55 118.53 2oaf n ASP 58 Ca -0.05 -0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.48 2oaf n ASP 58 Cb 0.80 -0.45 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2oaf n ASP 58 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2oaf n THR 59 N -3.36 0.03 -2.44 -3.53 -1.04 -1.03 -4.98 114.28 97.94 2oaf n THR 59 Ca -0.47 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.29 2oaf n THR 59 Cb 0.98 0.57 -0.00 0.00 -1.82 0.00 0.00 70.33 70.05 2oaf n THR 59 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2oaf n ASN 60 N -1.61 -5.46 -4.14 8.00 5.15 -0.83 -4.96 115.26 111.41 2oaf n ASN 60 Ca 0.04 -0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 2oaf n ASN 60 Cb 0.36 -4.48 -0.16 0.00 -0.53 0.00 0.00 39.78 34.97 2oaf n ASN 60 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2oaf s VAL 61 N -2.96 2.16 0.14 3.44 1.01 -0.63 -0.80 120.40 122.76 2oaf s VAL 61 Ca 0.04 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2oaf s VAL 61 Cb -0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2oaf s VAL 61 CO 0.05 0.53 0.27 -0.83 0.00 0.00 0.00 175.10 175.11 2oaf s GLY 62 N 1.29 1.77 -0.44 4.51 0.00 -0.76 -2.52 107.32 111.18 2oaf s GLY 62 Ca 0.05 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.84 2oaf s GLY 62 CO -0.12 -1.01 0.67 -1.30 0.00 0.00 0.00 173.10 171.34 2oaf n THR 63 N -0.42 0.35 -1.86 0.90 -2.24 -1.26 -0.78 114.28 108.96 2oaf n THR 63 Ca -0.07 -4.56 -0.38 0.00 -2.27 0.00 0.00 64.05 56.78 2oaf n THR 63 Cb 0.54 -1.33 0.04 0.00 -2.10 0.00 0.00 70.33 67.47 2oaf n THR 63 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2oaf s PRO 64 N -2.06 3.06 0.26 -0.78 0.04 -1.20 -4.64 135.00 129.68 2oaf s PRO 64 Ca 0.39 2.09 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 2oaf s PRO 64 Cb 0.24 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2oaf s PRO 64 CO -0.09 -1.21 0.94 -0.06 0.04 0.00 0.00 177.00 176.63 2oaf s PHE 65 N -1.39 3.93 -0.02 0.56 0.40 -1.26 -1.56 117.98 118.64 2oaf s PHE 65 Ca 0.74 1.89 0.02 0.00 -0.60 0.00 0.00 56.93 58.98 2oaf s PHE 65 Cb -0.37 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 2oaf s PHE 65 CO 0.42 0.40 0.05 1.33 0.70 0.00 0.00 175.22 178.12 2oaf n VAL 66 N 1.31 0.00 -3.62 -0.44 0.24 0.27 -4.91 118.33 111.18 2oaf n VAL 66 Ca -0.01 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2oaf n VAL 66 Cb 0.48 0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 33.33 2oaf n VAL 66 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2oaf s ARG 67 N -1.96 0.86 -0.01 7.34 3.52 -1.06 -5.01 118.95 122.63 2oaf s ARG 67 Ca -0.00 0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.92 2oaf s ARG 67 Cb 0.01 0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2oaf s ARG 67 CO 0.08 -0.22 0.08 -0.48 -0.81 0.00 0.00 175.30 173.95 2oaf s LEU 68 N -0.70 1.77 0.29 -0.88 0.05 -1.26 -0.80 118.68 117.15 2oaf s LEU 68 Ca -0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 54.13 53.94 2oaf s LEU 68 Cb -0.03 0.40 -0.02 0.00 -2.05 0.00 0.00 46.19 44.49 2oaf s LEU 68 CO 0.06 -0.23 0.33 -1.83 -0.55 0.00 0.00 176.35 174.12 2oaf s GLU 69 N -0.91 1.63 -0.17 1.48 -1.05 -0.28 -5.01 118.70 114.39 2oaf s GLU 69 Ca -0.10 -1.72 -0.10 0.00 -0.15 0.00 0.00 54.97 52.90 2oaf s GLU 69 Cb -0.06 0.37 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 2oaf s GLU 69 CO 0.00 -0.63 0.41 -0.51 0.95 0.00 0.00 175.26 175.49 2oaf s ASP 71 N -3.22 -0.51 -0.30 0.83 1.01 0.17 -0.69 116.67 113.96 2oaf s ASP 71 Ca 0.34 0.88 -0.08 0.00 0.71 0.00 0.00 52.55 54.41 2oaf s ASP 71 Cb 0.02 0.78 0.00 0.00 1.01 0.00 0.00 42.92 44.73 2oaf s ASP 71 CO 0.18 -0.19 0.11 -0.36 0.21 0.00 0.00 175.17 175.13 2oaf s PHE 72 N 1.25 3.16 -0.12 4.23 0.08 -1.26 -1.25 117.98 124.07 2oaf s PHE 72 Ca -0.08 -0.80 0.12 0.00 0.12 0.00 0.00 56.93 56.28 2oaf s PHE 72 Cb -0.08 -2.30 -0.17 0.00 -0.57 0.00 0.00 43.02 39.91 2oaf s PHE 72 CO -0.11 -0.53 0.07 1.63 -0.10 0.00 0.00 175.22 176.19 2oaf n LYS 73 N 4.92 1.73 -3.66 0.44 4.76 0.17 -4.99 118.16 121.53 2oaf n LYS 73 Ca -0.14 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.13 2oaf n LYS 73 Cb 0.48 -1.33 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 2oaf n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2oaf s SER 74 N -4.49 -0.44 0.51 4.39 0.15 -0.88 -4.98 113.70 107.96 2oaf s SER 74 Ca -0.06 0.54 -0.22 0.00 0.70 0.00 0.00 55.95 56.91 2oaf s SER 74 Cb 0.04 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 2oaf s SER 74 CO 0.54 -0.45 1.22 -2.84 1.20 0.00 0.00 173.24 172.91 2oaf s PRO 75 N -0.91 3.44 -0.19 5.44 0.02 -1.26 -4.56 135.00 136.98 2oaf s PRO 75 Ca -0.10 1.90 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 2oaf s PRO 75 Cb -0.03 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 2oaf s PRO 75 CO 0.06 -0.85 0.14 0.08 -0.33 0.00 0.00 177.00 176.09 2oaf s VAL 76 N -1.50 5.41 0.23 3.83 1.01 -1.26 -4.95 120.40 123.17 2oaf s VAL 76 Ca 0.69 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2oaf s VAL 76 Cb -0.32 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2oaf s VAL 76 CO 0.38 0.45 0.04 0.42 0.00 0.00 0.00 175.10 176.39 2oaf s THR 77 N 0.24 0.72 -2.00 3.92 -4.23 -1.26 -0.53 115.64 112.50 2oaf s THR 77 Ca 0.09 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.74 2oaf s THR 77 Cb -0.11 -2.43 0.40 0.00 1.34 0.00 0.00 72.50 71.70 2oaf s THR 77 CO -0.01 -0.21 1.28 -2.65 -0.54 0.00 0.00 174.62 172.49 2oaf n PRO 78 N -0.40 0.59 0.27 3.99 -0.02 -1.26 -3.78 135.00 134.40 2oaf n PRO 78 Ca -0.03 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.60 2oaf n PRO 78 Cb 0.65 -1.37 0.68 0.00 -0.02 0.00 0.00 33.50 33.43 2oaf n PRO 78 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oaf h ARG 79 N 0.00 0.00 -3.97 -0.52 2.47 -1.96 -3.45 114.38 106.95 2oaf h ARG 79 Ca 0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2oaf h ARG 79 Cb 0.00 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.17 2oaf h ARG 79 CO 0.00 0.07 -0.50 -1.01 0.56 0.00 0.00 179.97 179.09 2oaf s HIS 80 N -3.75 0.29 0.38 3.04 3.76 -1.25 -5.10 115.29 112.66 2oaf s HIS 80 Ca 0.00 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 53.88 2oaf s HIS 80 Cb 0.10 -0.19 -0.11 0.00 1.11 0.00 0.00 32.58 33.49 2oaf s HIS 80 CO 0.56 -0.47 1.48 -0.89 -0.85 0.00 0.00 174.74 174.57 2oaf n ILE 81 N 0.07 1.99 -2.98 0.60 2.08 -1.26 -4.61 119.36 115.26 2oaf n ILE 81 Ca -0.15 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.23 2oaf n ILE 81 Cb 0.62 -1.96 -0.05 0.00 -0.75 0.00 0.00 39.64 37.50 2oaf n ILE 81 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2oaf s LEU 82 N -1.99 4.24 -0.39 1.39 2.96 0.06 -4.51 118.68 120.43 2oaf s LEU 82 Ca 0.53 -0.03 -0.20 0.00 -0.22 0.00 0.00 54.13 54.21 2oaf s LEU 82 Cb -0.48 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.27 2oaf s LEU 82 CO 0.64 -0.86 0.61 -0.54 -1.32 0.00 0.00 176.35 174.87 2oaf s LYS 83 N 3.21 3.48 -0.53 1.98 -0.14 0.25 -0.56 119.74 127.44 2oaf s LYS 83 Ca 0.30 -0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.55 2oaf s LYS 83 Cb -0.12 -3.87 0.10 0.00 -1.68 0.00 0.00 37.83 32.26 2oaf s LYS 83 CO 0.21 -0.84 0.53 0.00 -0.76 0.00 0.00 175.35 174.49 2oaf s HIS 85 N 1.94 3.30 -0.04 0.00 3.76 0.30 -1.10 115.29 123.45 2oaf s HIS 85 Ca 0.06 1.37 0.02 0.00 -0.15 0.00 0.00 55.06 56.37 2oaf s HIS 85 Cb -0.26 -3.32 0.01 0.00 1.11 0.00 0.00 32.58 30.12 2oaf s HIS 85 CO 0.06 -0.52 -0.08 0.99 -0.85 0.00 0.00 174.74 174.33 2oaf s THR 86 N 3.23 0.79 0.09 1.30 2.01 0.18 -1.06 115.64 122.19 2oaf s THR 86 Ca 0.43 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 2oaf s THR 86 Cb -0.15 -0.74 0.07 0.00 0.01 0.00 0.00 72.50 71.70 2oaf s THR 86 CO 0.08 0.27 0.63 -1.66 -0.69 0.00 0.00 174.62 173.25 2oaf s TRP 87 N 0.56 -0.57 -0.10 4.92 -2.14 -0.58 -2.32 118.94 118.72 2oaf s TRP 87 Ca -0.09 0.57 -0.29 0.00 2.66 0.00 0.00 56.10 58.95 2oaf s TRP 87 Cb -0.13 0.51 -0.01 0.00 -3.10 0.00 0.00 33.47 30.74 2oaf s TRP 87 CO 0.01 -0.77 0.97 -1.25 -2.66 0.00 0.00 176.95 173.26 2oaf s PRO 88 N -2.96 4.42 0.09 3.25 0.04 -1.26 -0.53 135.00 138.05 2oaf s PRO 88 Ca -0.03 1.33 0.21 0.00 0.04 0.00 0.00 61.00 62.56 2oaf s PRO 88 Cb -0.01 -3.53 -0.15 0.00 0.04 0.00 0.00 34.50 30.85 2oaf s PRO 88 CO -0.06 -0.27 0.77 -2.37 0.04 0.00 0.00 177.00 175.11 2oaf n THR 89 N 4.47 0.51 -3.61 1.26 5.66 0.48 -4.12 114.28 118.94 2oaf n THR 89 Ca 0.08 -0.57 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 2oaf n THR 89 Cb 0.49 -0.28 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 2oaf n THR 89 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2oaf s ARG 90 N -3.32 0.73 -0.12 1.09 3.52 -1.17 -4.80 118.95 114.88 2oaf s ARG 90 Ca -0.04 0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 56.23 2oaf s ARG 90 Cb 0.11 0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.90 2oaf s ARG 90 CO 0.84 -0.12 0.04 -1.17 -0.81 0.00 0.00 175.30 174.07 2oaf s LEU 91 N -0.00 0.65 0.00 -0.88 2.96 -1.26 -1.11 118.68 119.03 2oaf s LEU 91 Ca -0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2oaf s LEU 91 Cb -0.04 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.25 2oaf s LEU 91 CO -0.00 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 2oaf n GLY 92 N 5.17 1.29 0.21 7.98 0.00 0.23 -5.00 105.19 115.07 2oaf n GLY 92 Ca -0.07 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 2oaf n GLY 92 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2oaf h THR 93 N 0.00 1.30 0.00 2.61 2.02 -2.01 -3.39 112.91 113.45 2oaf h THR 93 Ca 0.00 -2.07 -0.15 0.00 0.77 0.00 0.00 66.41 64.96 2oaf h THR 93 Cb 0.00 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2oaf h THR 93 CO 0.00 0.65 -1.72 0.29 0.37 0.00 0.00 175.52 175.11 2oaf n LYS 94 N -3.89 1.71 -4.27 6.66 5.02 -1.26 -0.58 118.16 121.55 2oaf n LYS 94 Ca -0.07 -0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.03 2oaf n LYS 94 Cb 0.76 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 2oaf n LYS 94 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2oaf s SER 95 N -4.14 1.97 0.02 4.39 1.04 -1.26 -3.49 113.70 112.23 2oaf s SER 95 Ca -0.05 -1.00 0.07 0.00 0.48 0.00 0.00 55.95 55.44 2oaf s SER 95 Cb 0.04 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2oaf s SER 95 CO 0.47 -0.29 -0.20 -0.51 0.98 0.00 0.00 173.24 173.69 2oaf s ILE 96 N -3.18 1.62 -0.12 -1.02 2.07 -0.38 -0.60 121.20 119.59 2oaf s ILE 96 Ca 0.17 -1.06 0.03 0.00 -1.41 0.00 0.00 60.65 58.38 2oaf s ILE 96 Cb 0.01 -1.38 0.01 0.00 0.13 0.00 0.00 42.46 41.23 2oaf s ILE 96 CO 0.02 0.29 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.24 2oaf s THR 97 N -0.67 1.92 -0.12 4.00 2.01 -0.27 -1.26 115.64 121.24 2oaf s THR 97 Ca 0.07 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 2oaf s THR 97 Cb -0.08 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2oaf s THR 97 CO 0.01 0.53 0.07 -0.36 -0.69 0.00 0.00 174.62 174.18 2oaf s PHE 98 N 0.70 3.36 -0.03 4.92 0.08 0.31 -0.39 117.98 126.93 2oaf s PHE 98 Ca -0.11 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.15 2oaf s PHE 98 Cb -0.16 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2oaf s PHE 98 CO 0.01 0.49 0.27 1.03 -0.10 0.00 0.00 175.22 176.93 2oaf s ARG 99 N -0.61 3.63 -0.05 0.44 1.81 0.31 -0.10 118.95 124.39 2oaf s ARG 99 Ca 0.11 0.05 0.00 0.00 -1.72 0.00 0.00 55.73 54.18 2oaf s ARG 99 Cb -0.12 -3.15 0.02 0.00 -0.45 0.00 0.00 34.95 31.26 2oaf s ARG 99 CO 0.02 0.70 -0.02 0.08 -0.68 0.00 0.00 175.30 175.40 2oaf s VAL 100 N -1.15 0.45 -0.18 3.52 1.01 -0.51 -1.52 120.40 122.01 2oaf s VAL 100 Ca 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 2oaf s VAL 100 Cb -0.14 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2oaf s VAL 100 CO 0.11 0.23 -0.02 -1.81 0.00 0.00 0.00 175.10 173.61 2oaf s ASP 101 N 1.28 4.77 -0.30 3.32 1.01 -0.22 -0.31 116.67 126.22 2oaf s ASP 101 Ca -0.06 -0.18 -0.13 0.00 0.71 0.00 0.00 52.55 52.89 2oaf s ASP 101 Cb -0.14 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 2oaf s ASP 101 CO -0.02 0.10 0.28 -0.83 0.21 0.00 0.00 175.17 174.91 2oaf s GLY 102 N 0.75 1.92 -0.07 0.21 0.00 -0.04 -0.54 107.32 109.55 2oaf s GLY 102 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.62 2oaf s GLY 102 CO 0.02 0.82 -0.16 0.14 0.00 0.00 0.00 173.10 173.93 2oaf s VAL 103 N 1.87 1.40 -0.14 1.40 1.01 0.01 -0.21 120.40 125.75 2oaf s VAL 103 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2oaf s VAL 103 Cb -0.16 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2oaf s VAL 103 CO 0.11 0.41 -0.11 -1.10 0.00 0.00 0.00 175.10 174.41 2oaf s GLN 104 N 0.55 1.97 -1.53 2.72 -0.21 0.08 -0.58 119.66 122.67 2oaf s GLN 104 Ca -0.16 -0.48 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 2oaf s GLN 104 Cb -0.16 -1.96 0.08 0.00 1.00 0.00 0.00 33.01 31.97 2oaf s GLN 104 CO 0.05 -0.28 0.90 -3.47 -2.12 0.00 0.00 175.29 170.37 2oaf n ASP 105 N 4.83 -3.96 0.00 5.90 2.03 -1.26 -1.60 116.55 122.48 2oaf n ASP 105 Ca -0.15 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.33 2oaf n ASP 105 Cb 0.50 -3.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 2oaf n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2oaf n GLY 106 N -1.65 1.66 3.71 0.27 0.00 -1.26 -5.01 105.19 102.90 2oaf n GLY 106 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2oaf n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oaf s VAL 107 N -2.82 5.04 -0.57 1.61 1.01 -0.63 -5.02 120.40 119.02 2oaf s VAL 107 Ca 0.00 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 2oaf s VAL 107 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 2oaf s VAL 107 CO 0.00 0.22 1.21 -0.89 0.00 0.00 0.00 175.10 175.63 2oaf s THR 108 N 1.04 4.01 0.00 3.92 2.01 -1.26 -0.74 115.64 124.62 2oaf s THR 108 Ca 0.36 0.92 -0.15 0.00 0.31 0.00 0.00 61.69 63.13 2oaf s THR 108 Cb -0.17 -4.70 -0.34 0.00 0.01 0.00 0.00 72.50 67.30 2oaf s THR 108 CO 0.16 -1.30 0.90 0.00 -0.69 0.00 0.00 174.62 173.69 2oaf s PHE 110 N -2.58 -0.03 -0.09 0.00 -0.12 -1.00 0.46 117.98 114.61 2oaf s PHE 110 Ca -0.11 -0.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 2oaf s PHE 110 Cb 0.04 0.03 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2oaf s PHE 110 CO 0.91 -0.45 -0.12 0.54 -0.05 0.00 0.00 175.22 176.05 2oaf s VAL 111 N -2.42 1.20 0.10 -2.49 0.11 -0.38 -0.86 120.40 115.66 2oaf s VAL 111 Ca -0.06 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2oaf s VAL 111 Cb -0.02 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2oaf s VAL 111 CO -0.03 0.38 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.18 2oaf s GLY 112 N 1.02 0.88 -0.04 6.54 0.00 0.58 -0.65 107.32 115.64 2oaf s GLY 112 Ca -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.47 2oaf s GLY 112 CO -0.01 -1.27 -0.09 0.00 0.00 0.00 0.00 173.10 171.74 2oaf s ALA 113 N -2.35 0.92 -0.07 3.20 0.00 0.13 -1.42 121.76 122.17 2oaf s ALA 113 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 2oaf s ALA 113 Cb -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2oaf s ALA 113 CO 0.01 0.10 -0.00 -0.06 0.00 0.00 0.00 175.76 175.80 2oaf s PHE 114 N 0.50 0.66 -0.14 0.00 0.40 0.86 -1.13 117.98 119.14 2oaf s PHE 114 Ca -0.08 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 2oaf s PHE 114 Cb -0.12 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 2oaf s PHE 114 CO 0.01 -0.31 -0.15 0.99 0.70 0.00 0.00 175.22 176.46 2oaf s THR 115 N 1.88 2.81 0.13 0.64 2.01 0.02 -0.53 115.64 122.60 2oaf s THR 115 Ca 0.04 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.41 2oaf s THR 115 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2oaf s THR 115 CO -0.05 0.52 -0.27 0.00 -0.69 0.00 0.00 174.62 174.14 2oaf s VAL 117 N -1.06 2.02 -0.04 0.00 -7.23 -0.60 -1.25 120.40 112.24 2oaf s VAL 117 Ca 0.13 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2oaf s VAL 117 Cb -0.10 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 2oaf s VAL 117 CO 0.06 0.00 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.31 2oaf s PHE 118 N -2.68 2.60 0.22 2.82 0.40 -1.23 -3.22 117.98 116.88 2oaf s PHE 118 Ca 0.51 -0.24 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 2oaf s PHE 118 Cb -0.05 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 2oaf s PHE 118 CO 0.32 0.12 -0.16 0.95 0.70 0.00 0.00 175.22 177.15 2oaf s THR 119 N -0.69 1.88 -0.61 0.64 -4.23 0.04 -0.84 115.64 111.83 2oaf s THR 119 Ca 0.11 -2.24 -0.28 0.00 -1.18 0.00 0.00 61.69 58.10 2oaf s THR 119 Cb -0.10 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.67 2oaf s THR 119 CO 0.00 -0.55 1.25 -0.63 -0.54 0.00 0.00 174.62 174.15 2oaf s ILE 120 N -2.86 3.91 0.12 2.99 1.01 0.17 -1.82 121.20 124.72 2oaf s ILE 120 Ca 0.24 0.76 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 2oaf s ILE 120 Cb -0.02 -4.72 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 2oaf s ILE 120 CO 0.08 -1.42 1.71 0.00 0.00 0.00 0.00 174.94 175.31 2oaf h ALA 121 N 9.94 0.11 0.00 9.38 0.00 -1.28 -1.78 119.26 135.63 2oaf h ALA 121 Ca -0.26 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2oaf h ALA 121 Cb 1.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2oaf h ALA 121 CO 1.21 -0.48 0.00 0.38 0.00 0.00 0.00 179.25 180.35 2oaf h ASP 122 N -0.01 0.00 -0.01 0.00 3.04 -1.88 -2.17 116.42 115.40 2oaf h ASP 122 Ca 0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 2oaf h ASP 122 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 2oaf h ASP 122 CO -0.18 0.00 -0.68 0.00 -2.04 0.00 0.00 179.24 176.34 2oaf n GLN 123 N -2.55 0.91 -4.25 4.15 6.02 -0.74 -4.99 117.38 115.93 2oaf n GLN 123 Ca 0.01 -0.49 -0.31 0.00 -0.01 0.00 0.00 57.00 56.20 2oaf n GLN 123 Cb 0.23 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 2oaf n GLN 123 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2oaf n PHE 124 N -0.73 -1.32 -5.20 1.08 7.35 -0.80 -4.98 117.46 112.86 2oaf n PHE 124 Ca 0.06 0.59 -0.31 0.00 -0.76 0.00 0.00 57.45 57.04 2oaf n PHE 124 Cb 0.38 -2.93 -0.16 0.00 0.35 0.00 0.00 39.48 37.11 2oaf n PHE 124 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2oaf s LYS 125 N -7.28 2.49 0.59 -4.13 2.20 -1.21 -4.99 119.74 107.42 2oaf s LYS 125 Ca 0.03 -0.86 -0.19 0.00 -0.36 0.00 0.00 55.97 54.59 2oaf s LYS 125 Cb -0.02 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 2oaf s LYS 125 CO 0.98 0.34 1.12 0.43 -0.36 0.00 0.00 175.35 177.87 2oaf n SER 126 N 3.03 1.48 -3.88 1.43 7.64 -1.26 -0.66 113.62 121.40 2oaf n SER 126 Ca -0.18 0.86 -0.10 0.00 1.01 0.00 0.00 58.87 60.46 2oaf n SER 126 Cb 0.52 -1.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 2oaf n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oaf s GLN 127 N -2.89 0.70 0.87 1.43 -2.07 -0.02 -4.68 119.66 113.00 2oaf s GLN 127 Ca 0.76 -0.77 -0.11 0.00 -1.82 0.00 0.00 55.36 53.42 2oaf s GLN 127 Cb -0.42 0.28 0.12 0.00 -1.09 0.00 0.00 33.01 31.91 2oaf s GLN 127 CO 0.46 -0.20 1.16 -1.25 -1.32 0.00 0.00 175.29 174.14 2oaf s PRO 128 N -2.96 1.31 -0.05 9.60 0.04 -1.26 -4.17 135.00 137.50 2oaf s PRO 128 Ca -0.02 1.57 -0.35 0.00 0.04 0.00 0.00 61.00 62.24 2oaf s PRO 128 Cb 0.01 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 2oaf s PRO 128 CO -0.06 -2.42 1.81 0.00 0.04 0.00 0.00 177.00 176.37 2oaf n ALA 129 N -3.91 0.87 -1.77 8.56 0.00 0.25 -4.91 120.51 119.61 2oaf n ALA 129 Ca 0.12 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2oaf n ALA 129 Cb 0.52 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2oaf n ALA 129 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2oaf s PRO 130 N 3.40 3.78 0.28 0.00 0.02 -1.26 -4.83 135.00 136.38 2oaf s PRO 130 Ca 0.90 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.99 2oaf s PRO 130 Cb -0.72 -2.58 0.52 0.00 0.02 0.00 0.00 34.50 31.74 2oaf s PRO 130 CO 0.50 -0.62 1.84 -0.44 -0.33 0.00 0.00 177.00 177.94 2oaf h ASP 131 N 2.31 0.92 -0.14 2.53 3.32 -1.99 -0.77 116.42 122.61 2oaf h ASP 131 Ca -0.50 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 2oaf h ASP 131 Cb 1.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2oaf h ASP 131 CO 0.61 0.51 -0.20 1.12 -1.72 0.00 0.00 179.24 179.56 2oaf h HIS 132 N 1.00 0.62 -0.28 4.55 2.07 -2.00 -1.65 115.15 119.45 2oaf h HIS 132 Ca 0.48 -0.12 -0.17 0.00 -2.85 0.00 0.00 60.37 57.72 2oaf h HIS 132 Cb 0.44 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.26 2oaf h HIS 132 CO -0.01 0.72 -0.47 -0.07 -3.07 0.00 0.00 177.93 175.03 2oaf h LEU 133 N 0.50 0.90 -0.85 6.12 3.38 -1.71 -3.03 115.31 120.63 2oaf h LEU 133 Ca 0.08 -0.52 0.14 0.00 0.09 0.00 0.00 57.88 57.67 2oaf h LEU 133 Cb 0.63 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 2oaf h LEU 133 CO 0.04 1.25 0.44 -0.09 0.09 0.00 0.00 178.44 180.18 2oaf h ARG 134 N 0.59 0.63 -0.33 1.13 2.43 -0.83 -0.01 114.38 117.99 2oaf h ARG 134 Ca 0.02 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2oaf h ARG 134 Cb 1.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2oaf h ARG 134 CO 0.11 0.42 0.02 0.00 -1.51 0.00 0.00 179.97 179.00 2oaf h ALA 135 N 1.54 1.41 0.00 2.80 0.00 -1.21 -1.45 119.26 122.35 2oaf h ALA 135 Ca 0.45 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2oaf h ALA 135 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2oaf h ALA 135 CO -0.34 0.42 -0.91 -0.07 0.00 0.00 0.00 179.25 178.34 2oaf h LEU 136 N 0.49 0.43 0.00 0.00 3.38 -1.08 -3.39 115.31 115.14 2oaf h LEU 136 Ca 0.11 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2oaf h LEU 136 Cb 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2oaf h LEU 136 CO 0.01 1.14 -0.18 0.40 0.09 0.00 0.00 178.44 179.90 2oaf h ILE 137 N 0.19 1.66 -0.99 1.22 2.04 -0.71 -3.40 117.51 117.52 2oaf h ILE 137 Ca -0.07 -2.32 0.20 0.00 1.00 0.00 0.00 64.86 63.68 2oaf h ILE 137 Cb 1.54 3.21 -0.11 0.00 -0.74 0.00 0.00 36.82 40.72 2oaf h ILE 137 CO 0.15 0.56 0.58 -0.33 0.00 0.00 0.00 178.15 179.12 2oaf h GLU 138 N -1.00 0.68 0.00 2.37 5.08 -1.47 -0.03 114.58 120.21 2oaf h GLU 138 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2oaf h GLU 138 Cb 1.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2oaf h GLU 138 CO -0.03 0.45 0.00 -1.35 -1.00 0.00 0.00 179.01 177.08 2oaf h PRO 139 N 0.70 0.00 -0.02 2.33 0.11 -1.78 -2.30 132.00 131.04 2oaf h PRO 139 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 2oaf h PRO 139 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2oaf h PRO 139 CO -0.41 0.00 -0.07 0.72 -0.21 0.00 0.00 178.00 178.04 2oaf n HIS 140 N -2.32 0.00 -2.83 0.65 8.25 -0.03 -4.91 115.22 114.04 2oaf n HIS 140 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2oaf n HIS 140 Cb 0.04 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 2oaf n HIS 140 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2oaf s ILE 141 N -1.81 4.77 0.80 1.59 1.01 -0.87 -4.47 121.20 122.22 2oaf s ILE 141 Ca 0.23 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 62.40 2oaf s ILE 141 Cb 0.17 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.53 2oaf s ILE 141 CO 0.30 -0.15 1.14 -2.84 0.00 0.00 0.00 174.94 173.39 2oaf s PRO 142 N 3.00 1.89 0.00 2.79 0.02 -1.26 -5.06 135.00 136.38 2oaf s PRO 142 Ca 0.37 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2oaf s PRO 142 Cb -0.15 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2oaf s PRO 142 CO 0.08 -1.96 0.22 0.00 -0.33 0.00 0.00 177.00 175.01