#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffv s ASP 2 N 0.00 4.31 -0.56 6.12 1.11 -1.26 -5.07 116.67 121.33 3ffv s ASP 2 Ca 0.00 -2.60 -0.27 0.00 0.18 0.00 0.00 52.55 49.86 3ffv s ASP 2 Cb 0.00 -1.48 0.03 0.00 1.07 0.00 0.00 42.92 42.55 3ffv s ASP 2 CO 0.00 -0.29 1.12 -0.62 1.18 0.00 0.00 175.17 176.55 3ffv s ASP 3 N 0.31 6.44 0.35 0.27 3.68 -1.26 -4.86 116.67 121.60 3ffv s ASP 3 Ca 0.15 0.04 0.27 0.00 2.13 0.00 0.00 52.55 55.13 3ffv s ASP 3 Cb -0.23 -2.52 1.09 0.00 -1.45 0.00 0.00 42.92 39.81 3ffv s ASP 3 CO -0.04 -1.38 1.79 -0.07 0.13 0.00 0.00 175.17 175.60 3ffv h LEU 4 N 11.58 0.00 0.16 -1.34 3.38 -1.98 -1.99 115.31 125.12 3ffv h LEU 4 Ca -0.25 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 3ffv h LEU 4 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 3ffv h LEU 4 CO 1.15 0.00 -0.90 0.74 0.09 0.00 0.00 178.44 179.52 3ffv h THR 5 N 0.00 1.49 -0.27 0.22 2.02 -1.97 -1.47 112.91 112.93 3ffv h THR 5 Ca 0.00 -2.56 -0.06 0.00 0.77 0.00 0.00 66.41 64.56 3ffv h THR 5 Cb 0.42 3.19 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 3ffv h THR 5 CO 0.00 0.73 -0.11 0.00 0.37 0.00 0.00 175.52 176.51 3ffv h ALA 6 N 0.09 1.32 -0.13 6.16 0.00 -1.86 -1.73 119.26 123.11 3ffv h ALA 6 Ca -0.16 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 3ffv h ALA 6 Cb 1.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3ffv h ALA 6 CO 0.17 0.46 -0.58 0.37 0.00 0.00 0.00 179.25 179.67 3ffv h GLN 7 N 0.41 0.42 -0.24 0.00 5.75 -1.40 -1.36 115.11 118.70 3ffv h GLN 7 Ca 0.08 -0.28 -0.08 0.00 -0.15 0.00 0.00 58.65 58.22 3ffv h GLN 7 Cb 0.44 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 3ffv h GLN 7 CO 0.02 0.88 -0.20 0.00 -2.65 0.00 0.00 178.83 176.88 3ffv h ALA 8 N 1.06 1.20 -0.16 3.38 0.00 -0.67 -0.42 119.26 123.66 3ffv h ALA 8 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3ffv h ALA 8 Cb 1.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3ffv h ALA 8 CO 0.10 0.51 -0.43 1.25 0.00 0.00 0.00 179.25 180.68 3ffv h LEU 9 N 0.39 0.66 -1.11 0.00 5.85 -1.09 -2.30 115.31 117.71 3ffv h LEU 9 Ca 0.07 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 3ffv h LEU 9 Cb 0.58 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ffv h LEU 9 CO 0.04 1.13 -0.05 0.11 -0.34 0.00 0.00 178.44 179.32 3ffv h LYS 10 N 0.23 0.56 -0.42 1.25 1.57 -1.04 0.24 116.57 118.96 3ffv h LYS 10 Ca -0.01 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3ffv h LYS 10 Cb 1.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 3ffv h LYS 10 CO 0.09 0.63 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.10 3ffv h ASP 11 N 0.53 0.78 -0.33 0.86 3.45 -1.04 -0.05 116.42 120.62 3ffv h ASP 11 Ca 0.11 -0.34 -0.09 0.00 0.43 0.00 0.00 57.03 57.14 3ffv h ASP 11 Cb 0.42 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3ffv h ASP 11 CO 0.02 0.93 -0.14 0.15 -1.57 0.00 0.00 179.24 178.64 3ffv h PHE 12 N 0.60 0.77 -0.73 4.55 3.04 -1.06 -1.45 116.94 122.65 3ffv h PHE 12 Ca 0.11 -0.18 0.09 0.00 3.98 0.00 0.00 57.97 61.96 3ffv h PHE 12 Cb 0.57 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.84 3ffv h PHE 12 CO 0.05 0.87 0.39 1.15 -2.02 0.00 0.00 178.31 178.75 3ffv h THR 13 N 0.44 0.89 -0.83 4.41 2.02 -0.82 0.17 112.91 119.18 3ffv h THR 13 Ca 0.07 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3ffv h THR 13 Cb 0.66 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3ffv h THR 13 CO 0.04 0.12 0.38 0.00 0.37 0.00 0.00 175.52 176.44 3ffv h ALA 14 N 1.42 1.08 -0.28 6.16 0.00 -0.73 -1.57 119.26 125.34 3ffv h ALA 14 Ca 0.35 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3ffv h ALA 14 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ffv h ALA 14 CO -0.25 0.66 -0.32 0.00 0.00 0.00 0.00 179.25 179.34 3ffv h ARG 15 N 1.19 0.60 -0.08 0.00 3.08 -0.11 -1.94 114.38 117.12 3ffv h ARG 15 Ca 0.28 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ffv h ARG 15 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ffv h ARG 15 CO -0.03 0.85 0.04 -0.92 -1.07 0.00 0.00 179.97 178.84 3ffv h TYR 16 N 0.51 0.12 -0.34 3.04 3.20 -0.24 -0.96 116.97 122.29 3ffv h TYR 16 Ca 0.06 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3ffv h TYR 16 Cb 0.81 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 3ffv h TYR 16 CO 0.03 0.18 -0.01 0.00 -1.64 0.00 0.00 178.16 176.72 3ffv h ASP 18 N 0.51 0.79 -0.50 0.00 3.32 -1.06 -0.85 116.42 118.63 3ffv h ASP 18 Ca 0.11 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3ffv h ASP 18 Cb 0.35 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3ffv h ASP 18 CO 0.01 0.98 0.15 0.00 -1.72 0.00 0.00 179.24 178.67 3ffv h ALA 19 N 1.08 0.65 -0.64 3.45 0.00 -0.69 -0.12 119.26 122.99 3ffv h ALA 19 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ffv h ALA 19 Cb 0.72 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ffv h ALA 19 CO 0.06 0.31 0.25 -1.49 0.00 0.00 0.00 179.25 178.38 3ffv h TRP 20 N 0.68 0.96 -0.16 0.00 4.06 -1.10 -0.46 115.95 119.92 3ffv h TRP 20 Ca 0.16 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 3ffv h TRP 20 Cb 0.28 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3ffv h TRP 20 CO 0.01 0.74 -0.05 1.25 -3.56 0.00 0.00 178.44 176.83 3ffv h HIS 21 N 0.93 0.36 -0.62 0.49 2.76 -0.80 0.13 115.15 118.41 3ffv h HIS 21 Ca 0.22 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3ffv h HIS 21 Cb 0.19 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3ffv h HIS 21 CO 0.01 0.61 0.16 1.49 -1.30 0.00 0.00 177.93 178.90 3ffv h GLU 22 N 0.01 1.00 0.14 5.26 4.57 -0.82 0.46 114.58 125.20 3ffv h GLU 22 Ca 0.04 -0.24 -0.34 0.00 -1.18 0.00 0.00 59.36 57.64 3ffv h GLU 22 Cb 0.50 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3ffv h GLU 22 CO 0.02 0.90 -1.76 1.49 -1.18 0.00 0.00 179.01 178.49 3ffv h GLU 23 N 0.91 0.29 -0.01 1.92 4.57 -1.11 -3.40 114.58 117.75 3ffv h GLU 23 Ca 0.20 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3ffv h GLU 23 Cb 0.35 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3ffv h GLU 23 CO 0.00 1.16 0.00 0.72 -1.18 0.00 0.00 179.01 179.71 3ffv n HIS 24 N -3.48 0.00 -3.44 0.92 8.25 0.42 -5.01 115.22 112.89 3ffv n HIS 24 Ca -0.24 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 56.95 3ffv n HIS 24 Cb 1.06 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.22 3ffv n HIS 24 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ffv n LYS 25 N 0.10 -6.54 -2.19 -0.41 4.01 0.16 -4.94 118.16 108.34 3ffv n LYS 25 Ca 0.01 0.82 -0.04 0.00 -0.51 0.00 0.00 58.31 58.59 3ffv n LYS 25 Cb 0.07 -5.78 0.01 0.00 -0.51 0.00 0.00 35.03 28.81 3ffv n LYS 25 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3ffv n SER 26 N -2.81 -0.81 -4.94 4.39 3.41 -1.21 -4.95 113.62 106.70 3ffv n SER 26 Ca -0.03 -1.66 -0.24 0.00 -0.26 0.00 0.00 58.87 56.68 3ffv n SER 26 Cb 0.58 1.38 0.04 0.00 -0.26 0.00 0.00 64.21 65.95 3ffv n SER 26 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3ffv s TRP 27 N -5.80 3.05 0.46 7.33 0.52 -1.26 -2.74 118.94 120.49 3ffv s TRP 27 Ca 0.08 0.34 -0.25 0.00 0.02 0.00 0.00 56.10 56.29 3ffv s TRP 27 Cb -0.02 -2.79 -0.08 0.00 -1.15 0.00 0.00 33.47 29.43 3ffv s TRP 27 CO 0.06 -0.92 1.36 -2.30 0.02 0.00 0.00 176.95 175.17 3ffv n PRO 28 N -2.52 2.05 -4.09 4.98 -0.02 -1.24 -4.77 135.00 129.38 3ffv n PRO 28 Ca 0.06 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 3ffv n PRO 28 Cb 0.59 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 3ffv n PRO 28 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ffv s LEU 29 N -2.42 2.30 -0.16 2.45 2.96 -1.26 -1.38 118.68 121.17 3ffv s LEU 29 Ca 0.63 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3ffv s LEU 29 Cb -0.46 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 44.81 3ffv s LEU 29 CO 0.56 -0.05 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.81 3ffv s SER 30 N 1.29 2.97 0.08 3.68 0.15 0.13 -4.93 113.70 117.07 3ffv s SER 30 Ca 0.02 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.14 3ffv s SER 30 Cb -0.14 -1.37 -0.23 0.00 -1.71 0.00 0.00 66.02 62.56 3ffv s SER 30 CO -0.11 -0.01 1.14 -0.33 1.20 0.00 0.00 173.24 175.13 3ffv h GLU 31 N 7.89 0.06 -0.18 5.44 5.08 -1.86 -1.71 114.58 129.30 3ffv h GLU 31 Ca -0.42 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3ffv h GLU 31 Cb 1.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3ffv h GLU 31 CO 0.59 0.98 -0.07 0.93 -1.00 0.00 0.00 179.01 180.44 3ffv h GLU 32 N 0.02 0.28 -0.01 2.33 5.08 -1.93 -2.58 114.58 117.76 3ffv h GLU 32 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ffv h GLU 32 Cb 1.85 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.06 3ffv h GLU 32 CO 0.14 0.37 -0.07 1.28 -1.00 0.00 0.00 179.01 179.73 3ffv n LEU 33 N -4.31 1.28 -4.71 1.33 4.77 -1.25 -4.92 117.00 109.19 3ffv n LEU 33 Ca -0.00 -0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 3ffv n LEU 33 Cb 0.24 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3ffv n LEU 33 CO 0.38 0.22 1.36 0.00 -1.33 0.00 0.00 177.39 178.01 3ffv n TYR 34 N -0.12 2.69 -0.02 -1.77 4.19 -0.98 -2.13 117.16 119.02 3ffv n TYR 34 Ca 0.17 0.05 0.00 0.00 3.31 0.00 0.00 57.90 61.43 3ffv n TYR 34 Cb 0.34 -2.66 0.00 0.00 0.49 0.00 0.00 39.34 37.51 3ffv n TYR 34 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ffv n GLY 35 N 3.93 0.32 3.16 2.98 0.00 -1.26 -5.05 105.19 109.27 3ffv n GLY 35 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3ffv n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ffv s VAL 36 N -2.06 2.70 0.74 1.61 1.01 -0.90 -5.11 120.40 118.39 3ffv s VAL 36 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 3ffv s VAL 36 Cb 0.00 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3ffv s VAL 36 CO 0.00 0.13 1.06 -2.65 0.00 0.00 0.00 175.10 173.64 3ffv n PRO 37 N 4.61 0.48 -3.63 2.72 -0.02 -1.26 -5.04 135.00 132.86 3ffv n PRO 37 Ca -0.16 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.52 3ffv n PRO 37 Cb 0.46 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3ffv n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ffv s SER 38 N -1.74 -0.08 0.57 2.55 0.15 -1.26 -4.75 113.70 109.14 3ffv s SER 38 Ca 0.74 0.08 0.36 0.00 0.70 0.00 0.00 55.95 57.83 3ffv s SER 38 Cb -0.33 0.06 1.56 0.00 -1.71 0.00 0.00 66.02 65.60 3ffv s SER 38 CO 0.49 -0.07 2.05 -0.65 1.20 0.00 0.00 173.24 176.27 3ffv h PRO 39 N 2.11 0.00 0.00 5.44 0.11 -1.97 -3.00 132.00 134.70 3ffv h PRO 39 Ca -0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 3ffv h PRO 39 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ffv h PRO 39 CO 0.23 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 177.84 3ffv s ILE 41 N -3.70 2.76 -0.22 0.00 1.01 -1.13 -1.61 121.20 118.31 3ffv s ILE 41 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 3ffv s ILE 41 Cb 0.10 -3.13 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 3ffv s ILE 41 CO 0.62 -0.00 -0.16 -0.38 0.00 0.00 0.00 174.94 175.02 3ffv n ILE 42 N 4.84 1.51 -3.52 2.92 5.41 0.58 -4.96 119.36 126.14 3ffv n ILE 42 Ca 0.17 -0.10 -0.11 0.00 1.00 0.00 0.00 62.75 63.71 3ffv n ILE 42 Cb 0.39 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 3ffv n ILE 42 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3ffv s SER 43 N -6.78 -0.43 0.03 4.38 1.04 -1.24 -5.01 113.70 105.69 3ffv s SER 43 Ca -0.31 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.02 3ffv s SER 43 Cb 0.08 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 3ffv s SER 43 CO 0.47 -0.95 -0.15 0.28 0.98 0.00 0.00 173.24 173.87 3ffv s THR 44 N -3.78 1.23 0.00 2.02 -1.32 -1.26 -1.14 115.64 111.38 3ffv s THR 44 Ca 0.03 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 3ffv s THR 44 Cb -0.00 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3ffv s THR 44 CO -0.11 0.13 0.00 0.35 -2.21 0.00 0.00 174.62 172.77 3ffv n THR 45 N 2.11 0.00 0.22 5.08 -2.24 0.26 -4.98 114.28 114.73 3ffv n THR 45 Ca -0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3ffv n THR 45 Cb 0.54 -0.83 0.40 0.00 -2.10 0.00 0.00 70.33 68.34 3ffv n THR 45 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ffv h GLU 46 N 0.00 0.00 0.00 -0.78 4.39 -2.04 -3.38 114.58 112.77 3ffv h GLU 46 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ffv h GLU 46 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ffv h GLU 46 CO 0.00 0.19 -0.26 -0.40 -1.16 0.00 0.00 179.01 177.38 3ffv n ASP 47 N -3.27 0.00 -3.67 1.42 5.68 -1.26 -5.14 116.55 110.32 3ffv n ASP 47 Ca 0.01 -1.52 -0.10 0.00 -0.50 0.00 0.00 54.79 52.67 3ffv n ASP 47 Cb 0.46 -0.10 -0.04 0.00 -1.14 0.00 0.00 41.12 40.30 3ffv n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ffv s ALA 48 N 0.00 -0.95 0.01 2.12 0.00 -1.26 -4.42 121.76 117.26 3ffv s ALA 48 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.93 3ffv s ALA 48 Cb 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3ffv s ALA 48 CO -0.00 -0.71 -0.20 0.14 0.00 0.00 0.00 175.76 174.98 3ffv s VAL 49 N -3.83 1.63 -0.05 0.00 -7.23 -0.64 -0.57 120.40 109.70 3ffv s VAL 49 Ca 0.06 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 3ffv s VAL 49 Cb 0.01 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 3ffv s VAL 49 CO -0.08 0.34 0.44 -0.31 -0.31 0.00 0.00 175.10 175.18 3ffv s TYR 50 N -0.62 3.63 0.06 2.82 2.02 -0.29 -0.70 117.35 124.27 3ffv s TYR 50 Ca 0.08 0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 57.71 3ffv s TYR 50 Cb -0.08 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3ffv s TYR 50 CO 0.00 0.43 -0.02 1.67 -1.57 0.00 0.00 175.55 176.06 3ffv s TRP 51 N -0.31 0.57 0.02 2.71 1.48 -0.48 -0.30 118.94 122.64 3ffv s TRP 51 Ca 0.24 -1.09 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 3ffv s TRP 51 Cb -0.16 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.72 3ffv s TRP 51 CO 0.12 -0.39 -0.04 1.14 -4.06 0.00 0.00 176.95 173.72 3ffv s GLN 52 N -3.93 0.34 0.68 3.25 -2.07 -0.63 -3.61 119.66 113.69 3ffv s GLN 52 Ca 0.09 -0.62 -0.17 0.00 -1.82 0.00 0.00 55.36 52.84 3ffv s GLN 52 Cb 0.08 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 3ffv s GLN 52 CO -0.08 -0.03 1.20 -0.35 -1.32 0.00 0.00 175.29 174.70 3ffv n PRO 53 N 1.62 0.84 -4.18 9.60 -0.04 -1.26 -4.47 135.00 137.10 3ffv n PRO 53 Ca -0.23 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 3ffv n PRO 53 Cb 0.55 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 3ffv n PRO 53 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ffv s GLN 54 N -3.44 1.01 0.48 0.54 -1.52 -0.63 -4.97 119.66 111.14 3ffv s GLN 54 Ca 0.79 -1.49 -0.23 0.00 -1.95 0.00 0.00 55.36 52.48 3ffv s GLN 54 Cb -0.36 0.13 -0.07 0.00 -0.22 0.00 0.00 33.01 32.49 3ffv s GLN 54 CO 0.44 -0.25 1.21 -2.14 -0.25 0.00 0.00 175.29 174.30 3ffv s PRO 55 N -4.04 3.64 0.11 2.91 0.02 -1.26 -1.02 135.00 135.36 3ffv s PRO 55 Ca 0.26 1.88 -0.27 0.00 0.02 0.00 0.00 61.00 62.89 3ffv s PRO 55 Cb 0.07 -2.39 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 3ffv s PRO 55 CO 0.04 -0.68 0.85 0.12 -0.33 0.00 0.00 177.00 176.99 3ffv s PHE 56 N -1.49 3.83 0.02 6.54 5.36 -1.26 -4.36 117.98 126.62 3ffv s PHE 56 Ca 0.65 1.66 0.09 0.00 -0.96 0.00 0.00 56.93 58.37 3ffv s PHE 56 Cb -0.31 -2.90 -0.03 0.00 -0.34 0.00 0.00 43.02 39.44 3ffv s PHE 56 CO 0.38 0.33 -0.26 0.95 -1.46 0.00 0.00 175.22 175.15 3ffv s THR 57 N -0.40 2.10 0.00 0.12 -4.23 -1.26 -4.98 115.64 106.99 3ffv s THR 57 Ca 0.41 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3ffv s THR 57 Cb -0.23 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3ffv s THR 57 CO 0.27 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3ffv n GLY 58 N 2.01 -0.94 3.73 3.99 0.00 -1.26 -4.85 105.19 107.87 3ffv n GLY 58 Ca -0.17 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 3ffv n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffv s GLU 59 N -0.68 4.17 -1.23 1.61 2.02 -1.26 -4.90 118.70 118.43 3ffv s GLU 59 Ca 0.00 2.48 -0.07 0.00 0.02 0.00 0.00 54.97 57.40 3ffv s GLU 59 Cb 0.00 -3.10 0.20 0.00 0.10 0.00 0.00 34.13 31.33 3ffv s GLU 59 CO 0.00 -0.63 1.89 1.04 0.02 0.00 0.00 175.26 177.57 3ffv n GLN 60 N 3.39 4.10 -3.57 1.61 6.02 -1.26 -4.87 117.38 122.79 3ffv n GLN 60 Ca 0.12 -3.80 -0.05 0.00 -0.01 0.00 0.00 57.00 53.25 3ffv n GLN 60 Cb 0.37 -2.75 -0.02 0.00 1.02 0.00 0.00 30.24 28.86 3ffv n GLN 60 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ffv s ASN 61 N 0.04 -0.23 -0.61 1.08 6.03 -1.26 -4.88 114.94 115.10 3ffv s ASN 61 Ca 0.40 -0.05 0.01 0.00 -1.03 0.00 0.00 52.86 52.19 3ffv s ASN 61 Cb 0.11 0.28 0.41 0.00 -3.03 0.00 0.00 41.25 39.02 3ffv s ASN 61 CO 0.00 -0.47 1.65 1.33 -2.03 0.00 0.00 177.10 177.58 3ffv n VAL 62 N -0.23 3.11 0.29 3.54 0.24 -1.26 -4.70 118.33 119.31 3ffv n VAL 62 Ca -0.05 -4.18 0.18 0.00 -2.04 0.00 0.00 64.34 58.24 3ffv n VAL 62 Cb 0.60 -1.22 0.80 0.00 -1.47 0.00 0.00 33.84 32.56 3ffv n VAL 62 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3ffv h ASN 63 N 2.56 0.00 -0.53 -1.34 2.35 -1.97 -1.16 115.58 115.49 3ffv h ASN 63 Ca 0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 3ffv h ASN 63 Cb 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3ffv h ASN 63 CO 1.21 0.03 0.31 0.00 -1.65 0.00 0.00 177.43 177.32 3ffv h ALA 64 N 1.97 1.51 -0.19 -0.83 0.00 -1.99 0.60 119.26 120.34 3ffv h ALA 64 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ffv h ALA 64 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ffv h ALA 64 CO 0.00 0.41 -0.44 0.28 0.00 0.00 0.00 179.25 179.51 3ffv h VAL 65 N 0.76 1.33 0.00 0.00 2.07 -1.53 -1.79 116.25 117.08 3ffv h VAL 65 Ca 0.20 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 3ffv h VAL 65 Cb 0.01 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3ffv h VAL 65 CO -0.03 0.52 -0.32 -0.33 0.02 0.00 0.00 177.57 177.43 3ffv h GLU 66 N 0.31 0.00 -0.15 1.57 5.08 -1.23 -0.89 114.58 119.27 3ffv h GLU 66 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3ffv h GLU 66 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3ffv h GLU 66 CO 0.10 0.32 -0.22 0.00 -1.00 0.00 0.00 179.01 178.20 3ffv h ARG 67 N 0.00 0.42 0.00 2.33 3.08 0.32 -3.24 114.38 117.29 3ffv h ARG 67 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3ffv h ARG 67 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ffv h ARG 67 CO 0.04 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 3ffv h ALA 68 N 0.58 1.00 -3.46 0.04 0.00 -1.05 -3.44 119.26 112.94 3ffv h ALA 68 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3ffv h ALA 68 Cb 0.79 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.27 3ffv h ALA 68 CO 0.05 0.00 -0.66 0.12 0.00 0.00 0.00 179.25 178.76 3ffv s PHE 69 N -3.35 -0.07 -0.81 0.00 2.19 -0.36 -5.08 117.98 110.51 3ffv s PHE 69 Ca 0.05 0.25 -0.25 0.00 0.33 0.00 0.00 56.93 57.32 3ffv s PHE 69 Cb 0.09 -0.09 -0.07 0.00 -1.31 0.00 0.00 43.02 41.64 3ffv s PHE 69 CO 0.56 -0.09 2.07 0.34 1.83 0.00 0.00 175.22 179.92 3ffv s ASP 70 N 0.72 4.83 -0.06 6.13 2.15 -1.26 -4.37 116.67 124.82 3ffv s ASP 70 Ca -0.06 -0.24 -0.30 0.00 0.43 0.00 0.00 52.55 52.38 3ffv s ASP 70 Cb -0.08 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 3ffv s ASP 70 CO -0.03 -2.96 0.77 -0.51 -0.17 0.00 0.00 175.17 172.28 3ffv s ILE 71 N 11.14 0.00 -0.39 4.11 2.07 -1.26 -5.11 121.20 131.76 3ffv s ILE 71 Ca 0.76 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.97 3ffv s ILE 71 Cb -0.10 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.59 3ffv s ILE 71 CO 0.06 0.00 0.17 -0.69 -1.91 0.00 0.00 174.94 172.58 3ffv s VAL 72 N -1.56 3.38 0.08 4.00 1.01 -1.26 -4.69 120.40 121.37 3ffv s VAL 72 Ca -0.06 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 3ffv s VAL 72 Cb -0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3ffv s VAL 72 CO 0.04 -0.55 1.07 -0.63 0.00 0.00 0.00 175.10 175.03 3ffv s ILE 73 N 1.21 4.29 0.13 2.22 1.01 -1.26 -4.98 121.20 123.82 3ffv s ILE 73 Ca 0.05 1.77 -0.33 0.00 0.00 0.00 0.00 60.65 62.13 3ffv s ILE 73 Cb -0.22 -4.13 -0.18 0.00 0.01 0.00 0.00 42.46 37.94 3ffv s ILE 73 CO -0.03 0.20 0.90 0.00 0.00 0.00 0.00 174.94 176.02 3ffv n GLN 74 N 3.32 0.37 -0.31 2.79 1.13 -1.26 -4.82 117.38 118.59 3ffv n GLN 74 Ca 0.05 0.13 0.10 0.00 -1.94 0.00 0.00 57.00 55.34 3ffv n GLN 74 Cb 0.48 -1.45 0.31 0.00 0.11 0.00 0.00 30.24 29.69 3ffv n GLN 74 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3ffv h PRO 75 N 2.37 0.81 0.00 -1.09 0.11 -2.00 -2.02 132.00 130.18 3ffv h PRO 75 Ca -0.40 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3ffv h PRO 75 Cb 1.41 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ffv h PRO 75 CO 0.63 0.54 -0.05 1.79 -0.21 0.00 0.00 178.00 180.70 3ffv h THR 76 N 0.84 0.95 0.01 -1.15 1.35 -1.99 -1.34 112.91 111.57 3ffv h THR 76 Ca 0.47 -0.17 -0.26 0.00 -0.55 0.00 0.00 66.41 65.89 3ffv h THR 76 Cb 0.60 1.10 0.02 0.00 -1.73 0.00 0.00 68.15 68.14 3ffv h THR 76 CO -0.23 0.05 -1.04 0.40 -0.25 0.00 0.00 175.52 174.44 3ffv h ILE 77 N 0.00 1.29 -0.72 6.82 1.08 -1.71 0.12 117.51 124.39 3ffv h ILE 77 Ca -0.00 -2.29 0.05 0.00 -0.39 0.00 0.00 64.86 62.24 3ffv h ILE 77 Cb 0.09 2.40 -0.05 0.00 -3.07 0.00 0.00 36.82 36.19 3ffv h ILE 77 CO 0.01 0.70 0.43 0.45 -0.69 0.00 0.00 178.15 179.05 3ffv h HIS 78 N 0.37 0.79 -0.26 1.37 3.86 -1.22 -2.70 115.15 117.36 3ffv h HIS 78 Ca -0.13 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 3ffv h HIS 78 Cb 1.69 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.91 3ffv h HIS 78 CO 0.10 0.40 -0.34 1.15 0.86 0.00 0.00 177.93 180.10 3ffv h THR 79 N 0.80 1.31 -0.74 2.45 2.02 -1.19 -3.15 112.91 114.39 3ffv h THR 79 Ca 0.31 -1.53 0.13 0.00 0.77 0.00 0.00 66.41 66.09 3ffv h THR 79 Cb 0.14 1.68 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 3ffv h THR 79 CO -0.16 0.48 0.32 0.15 0.37 0.00 0.00 175.52 176.68 3ffv h PHE 80 N 0.41 0.55 -0.02 3.16 3.57 -0.44 -2.77 116.94 121.41 3ffv h PHE 80 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3ffv h PHE 80 Cb 0.92 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3ffv h PHE 80 CO 0.08 0.11 -0.06 0.66 -2.23 0.00 0.00 178.31 176.87 3ffv n TYR 81 N -4.96 0.00 -1.82 0.41 4.02 -1.12 -4.37 117.16 109.32 3ffv n TYR 81 Ca 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.07 3ffv n TYR 81 Cb 0.38 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.76 3ffv n TYR 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ffv n THR 82 N 0.41 0.85 -0.01 -0.72 -2.24 -1.07 -4.67 114.28 106.83 3ffv n THR 82 Ca 0.16 -1.36 -0.12 0.00 -2.27 0.00 0.00 64.05 60.46 3ffv n THR 82 Cb 0.43 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 3ffv n THR 82 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ffv h THR 83 N 4.23 0.86 -2.72 4.28 2.02 -1.70 -3.46 112.91 116.42 3ffv h THR 83 Ca -0.06 -2.67 0.10 0.00 0.77 0.00 0.00 66.41 64.56 3ffv h THR 83 Cb 1.35 2.48 -0.05 0.00 -1.74 0.00 0.00 68.15 70.19 3ffv h THR 83 CO 0.02 0.62 0.36 0.00 0.37 0.00 0.00 175.52 176.89 3ffv s GLN 84 N -2.60 1.60 -0.16 6.66 -2.07 -1.26 -4.34 119.66 117.49 3ffv s GLN 84 Ca -0.08 -0.93 -0.06 0.00 -1.82 0.00 0.00 55.36 52.47 3ffv s GLN 84 Cb 0.08 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 3ffv s GLN 84 CO 0.82 -0.74 0.04 -0.06 -1.32 0.00 0.00 175.29 174.02 3ffv s PHE 85 N -3.29 3.21 0.20 9.60 0.08 -0.19 -4.58 117.98 123.00 3ffv s PHE 85 Ca 0.13 0.03 -0.22 0.00 0.12 0.00 0.00 56.93 56.99 3ffv s PHE 85 Cb -0.04 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 3ffv s PHE 85 CO 0.06 0.17 0.62 0.00 -0.10 0.00 0.00 175.22 175.97 3ffv s ALA 86 N 0.18 -1.40 0.78 5.36 0.00 0.43 -1.60 121.76 125.50 3ffv s ALA 86 Ca 0.03 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3ffv s ALA 86 Cb -0.13 0.87 0.12 0.00 0.00 0.00 0.00 23.12 23.99 3ffv s ALA 86 CO 0.01 -0.85 1.09 0.20 0.00 0.00 0.00 175.76 176.21 3ffv s GLY 87 N -2.82 1.75 0.61 0.00 0.00 -1.26 -3.33 107.32 102.27 3ffv s GLY 87 Ca 0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 3ffv s GLY 87 CO -0.06 -0.74 1.11 0.99 0.00 0.00 0.00 173.10 174.41 3ffv s ASP 88 N -4.70 5.37 -0.03 1.64 1.01 -1.26 -4.61 116.67 114.09 3ffv s ASP 88 Ca 0.66 2.05 0.03 0.00 0.71 0.00 0.00 52.55 55.99 3ffv s ASP 88 Cb -0.07 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3ffv s ASP 88 CO 0.47 -1.45 -0.10 -0.04 0.21 0.00 0.00 175.17 174.25 3ffv s MET 89 N -3.81 1.08 0.08 8.23 -1.94 -0.70 -4.97 119.30 117.28 3ffv s MET 89 Ca 0.69 -0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 54.10 3ffv s MET 89 Cb -0.21 -0.99 -0.07 0.00 2.01 0.00 0.00 34.83 35.57 3ffv s MET 89 CO 0.36 0.11 0.71 -1.01 -0.01 0.00 0.00 175.02 175.19 3ffv s HIS 90 N 0.24 3.80 0.33 -0.03 3.76 -1.26 0.67 115.29 122.81 3ffv s HIS 90 Ca -0.04 1.46 -0.00 0.00 -0.15 0.00 0.00 55.06 56.32 3ffv s HIS 90 Cb -0.10 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 30.88 3ffv s HIS 90 CO 0.01 0.42 0.43 0.00 -0.85 0.00 0.00 174.74 174.75 3ffv n ALA 91 N 2.19 -0.14 -3.73 -1.40 0.00 -0.18 -0.92 120.51 116.32 3ffv n ALA 91 Ca -0.05 -1.61 -0.14 0.00 0.00 0.00 0.00 53.44 51.63 3ffv n ALA 91 Cb 0.50 1.30 -0.14 0.00 0.00 0.00 0.00 19.45 21.11 3ffv n ALA 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ffv s GLN 92 N -2.86 0.10 -0.36 0.00 0.74 -0.15 -1.42 119.66 115.70 3ffv s GLN 92 Ca 0.30 0.42 0.00 0.00 0.05 0.00 0.00 55.36 56.13 3ffv s GLN 92 Cb -0.00 -0.18 0.10 0.00 1.10 0.00 0.00 33.01 34.02 3ffv s GLN 92 CO 0.21 -0.18 0.10 0.12 -0.55 0.00 0.00 175.29 174.99 3ffv s PHE 93 N 1.34 3.60 0.00 1.67 5.36 -0.05 -1.87 117.98 128.02 3ffv s PHE 93 Ca -0.08 -2.56 0.00 0.00 -0.96 0.00 0.00 56.93 53.33 3ffv s PHE 93 Cb -0.12 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 3ffv s PHE 93 CO -0.06 -0.94 0.00 0.41 -1.46 0.00 0.00 175.22 173.17 3ffv n GLY 94 N 4.46 2.65 0.53 13.12 0.00 -1.26 -1.40 105.19 123.29 3ffv n GLY 94 Ca -0.02 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3ffv n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ffv n ASP 95 N 7.18 1.89 -4.65 1.61 8.00 -1.26 -4.91 116.55 124.42 3ffv n ASP 95 Ca 0.00 -1.46 -0.43 0.00 0.71 0.00 0.00 54.79 53.61 3ffv n ASP 95 Cb 0.00 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 3ffv n ASP 95 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ffv s ILE 96 N -2.30 4.60 -0.07 0.53 -1.09 -0.49 -5.03 121.20 117.35 3ffv s ILE 96 Ca 0.25 1.84 -0.17 0.00 -2.23 0.00 0.00 60.65 60.34 3ffv s ILE 96 Cb 0.19 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 3ffv s ILE 96 CO 0.46 -0.34 0.46 -0.54 -1.23 0.00 0.00 174.94 173.76 3ffv s LYS 97 N 3.42 4.21 0.28 2.79 1.02 -1.26 -0.88 119.74 129.32 3ffv s LYS 97 Ca 0.44 0.46 -0.07 0.00 0.02 0.00 0.00 55.97 56.82 3ffv s LYS 97 Cb -0.13 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 3ffv s LYS 97 CO 0.11 0.36 0.43 -0.48 -0.92 0.00 0.00 175.35 174.85 3ffv s LEU 98 N -0.03 0.71 -0.22 3.17 0.05 -0.51 -4.56 118.68 117.29 3ffv s LEU 98 Ca 0.25 -1.22 0.01 0.00 0.05 0.00 0.00 54.13 53.22 3ffv s LEU 98 Cb -0.16 1.46 0.05 0.00 -2.05 0.00 0.00 46.19 45.49 3ffv s LEU 98 CO 0.12 -1.17 -0.08 -0.89 -0.55 0.00 0.00 176.35 173.78 3ffv s THR 99 N -3.63 1.65 -0.12 5.48 2.01 -0.54 -1.02 115.64 119.48 3ffv s THR 99 Ca 0.28 -1.17 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 3ffv s THR 99 Cb 0.01 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 3ffv s THR 99 CO 0.14 0.03 1.24 -0.22 -0.69 0.00 0.00 174.62 175.12 3ffv s LEU 100 N 1.36 4.22 0.38 4.42 2.96 0.21 -1.50 118.68 130.74 3ffv s LEU 100 Ca -0.04 1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 55.40 3ffv s LEU 100 Cb -0.18 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 3ffv s LEU 100 CO -0.07 -0.69 0.91 -0.76 -1.32 0.00 0.00 176.35 174.42 3ffv s LEU 101 N 2.97 4.06 0.33 -0.68 1.43 0.01 -1.72 118.68 125.08 3ffv s LEU 101 Ca 0.55 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 3ffv s LEU 101 Cb -0.23 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 3ffv s LEU 101 CO 0.18 -0.26 0.32 -1.10 0.23 0.00 0.00 176.35 175.72 3ffv s GLN 102 N -2.85 1.77 -0.34 1.70 -1.52 -1.26 -4.91 119.66 112.24 3ffv s GLN 102 Ca 0.57 -1.92 -0.10 0.00 -1.95 0.00 0.00 55.36 51.96 3ffv s GLN 102 Cb -0.12 0.36 0.01 0.00 -0.22 0.00 0.00 33.01 33.04 3ffv s GLN 102 CO 0.16 -0.67 0.17 0.99 -0.25 0.00 0.00 175.29 175.69 3ffv s THR 103 N -3.38 4.52 0.11 -0.19 2.01 -1.25 -4.89 115.64 112.57 3ffv s THR 103 Ca 0.38 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.74 3ffv s THR 103 Cb 0.02 -3.41 -0.23 0.00 0.01 0.00 0.00 72.50 68.89 3ffv s THR 103 CO 0.25 -0.07 1.25 -0.25 -0.69 0.00 0.00 174.62 175.10 3ffv h TRP 104 N 8.38 0.29 -2.45 4.92 -0.00 -1.90 0.12 115.95 125.31 3ffv h TRP 104 Ca -0.29 -0.19 0.10 0.00 -0.00 0.00 0.00 58.89 58.50 3ffv h TRP 104 Cb 1.12 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 30.25 3ffv h TRP 104 CO 0.61 1.11 0.42 -1.13 -0.00 0.00 0.00 178.44 179.46 3ffv n SER 105 N -3.51 -1.48 -0.10 2.65 3.41 -1.26 -4.45 113.62 108.88 3ffv n SER 105 Ca -0.04 -1.83 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 3ffv n SER 105 Cb 0.94 2.42 0.03 0.00 -0.26 0.00 0.00 64.21 67.34 3ffv n SER 105 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ffv h GLU 106 N 0.00 0.84 -0.42 4.33 5.08 -1.94 -0.41 114.58 122.07 3ffv h GLU 106 Ca -0.23 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.66 3ffv h GLU 106 Cb 0.96 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3ffv h GLU 106 CO 0.30 1.03 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.88 3ffv h ASP 107 N 0.71 0.75 0.29 1.42 3.32 -1.96 -2.31 116.42 118.64 3ffv h ASP 107 Ca 0.08 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 3ffv h ASP 107 Cb 0.86 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3ffv h ASP 107 CO 0.08 0.89 -0.22 0.44 -1.72 0.00 0.00 179.24 178.71 3ffv h ASP 108 N 0.59 0.00 -0.21 6.45 3.45 -1.91 -1.99 116.42 122.80 3ffv h ASP 108 Ca 0.12 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.52 3ffv h ASP 108 Cb 0.52 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 3ffv h ASP 108 CO 0.03 0.22 -0.03 0.15 -1.57 0.00 0.00 179.24 178.04 3ffv h PHE 109 N 0.00 0.55 -0.42 4.55 3.57 -0.52 0.27 116.94 124.95 3ffv h PHE 109 Ca -0.00 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3ffv h PHE 109 Cb 0.42 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3ffv h PHE 109 CO 0.00 0.56 -0.22 -0.09 -2.23 0.00 0.00 178.31 176.33 3ffv h ARG 110 N 0.50 0.83 -0.48 1.11 2.43 -1.04 -2.58 114.38 115.15 3ffv h ARG 110 Ca 0.10 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 3ffv h ARG 110 Cb 0.37 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3ffv h ARG 110 CO 0.01 0.97 -0.20 0.00 -1.51 0.00 0.00 179.97 179.25 3ffv h ARG 111 N 0.72 0.98 -0.52 0.20 3.08 -1.04 -2.28 114.38 115.52 3ffv h ARG 111 Ca 0.10 -0.41 0.07 0.00 0.07 0.00 0.00 59.98 59.81 3ffv h ARG 111 Cb 0.75 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 3ffv h ARG 111 CO 0.06 1.08 0.19 0.28 -1.07 0.00 0.00 179.97 180.52 3ffv h VAL 112 N 0.83 0.83 -0.02 2.04 2.07 -0.29 -1.26 116.25 120.46 3ffv h VAL 112 Ca 0.11 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3ffv h VAL 112 Cb 0.77 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ffv h VAL 112 CO 0.06 0.07 -0.57 1.56 0.02 0.00 0.00 177.57 178.71 3ffv h GLN 113 N 0.38 0.05 -0.60 1.57 4.20 -1.38 -1.70 115.11 117.63 3ffv h GLN 113 Ca 0.25 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3ffv h GLN 113 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3ffv h GLN 113 CO -0.25 0.61 0.18 0.93 -0.67 0.00 0.00 178.83 179.63 3ffv h GLU 114 N 0.04 0.93 -0.37 1.46 5.08 -0.77 -1.02 114.58 119.92 3ffv h GLU 114 Ca -0.00 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 3ffv h GLU 114 Cb 1.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3ffv h GLU 114 CO 0.08 0.84 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.67 3ffv h ASN 115 N 0.85 0.89 -0.26 1.42 2.35 -1.08 -1.32 115.58 118.42 3ffv h ASN 115 Ca 0.19 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 3ffv h ASN 115 Cb 0.30 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3ffv h ASN 115 CO -0.00 1.15 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.84 3ffv h LEU 116 N 0.71 0.55 -0.15 1.61 3.38 -1.06 -1.27 115.31 119.07 3ffv h LEU 116 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ffv h LEU 116 Cb 0.90 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3ffv h LEU 116 CO 0.08 0.62 -0.16 0.40 0.09 0.00 0.00 178.44 179.48 3ffv h ILE 117 N 0.55 1.35 -0.88 1.22 2.04 -0.96 -1.81 117.51 119.03 3ffv h ILE 117 Ca 0.12 -1.34 0.04 0.00 1.00 0.00 0.00 64.86 64.68 3ffv h ILE 117 Cb 0.37 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3ffv h ILE 117 CO 0.01 0.39 0.57 1.23 0.00 0.00 0.00 178.15 180.35 3ffv h GLY 118 N -0.00 1.29 1.00 5.37 0.00 -1.04 -1.34 103.07 108.34 3ffv h GLY 118 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3ffv h GLY 118 CO 0.04 0.35 0.36 0.84 0.00 0.00 0.00 176.54 178.14 3ffv h HIS 119 N 1.09 0.72 -0.15 5.60 -0.00 -1.13 -2.17 115.15 119.10 3ffv h HIS 119 Ca 0.36 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.58 3ffv h HIS 119 Cb 0.03 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3ffv h HIS 119 CO -0.02 0.47 -0.57 -0.07 -0.00 0.00 0.00 177.93 177.74 3ffv h LEU 120 N 0.77 0.54 -0.87 0.26 3.38 -0.88 -2.66 115.31 115.84 3ffv h LEU 120 Ca 0.21 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3ffv h LEU 120 Cb -0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3ffv h LEU 120 CO -0.04 0.99 0.35 0.58 0.09 0.00 0.00 178.44 180.41 3ffv h VAL 121 N 0.36 1.26 -0.33 1.22 2.07 -1.07 -0.83 116.25 118.93 3ffv h VAL 121 Ca 0.00 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3ffv h VAL 121 Cb 1.10 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3ffv h VAL 121 CO 0.10 0.32 0.13 0.74 0.02 0.00 0.00 177.57 178.88 3ffv h THR 122 N 1.15 1.18 -0.55 2.57 2.02 -1.29 -1.20 112.91 116.80 3ffv h THR 122 Ca 0.27 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 3ffv h THR 122 Cb 0.17 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3ffv h THR 122 CO -0.03 0.20 0.04 1.56 0.37 0.00 0.00 175.52 177.66 3ffv h GLN 123 N 0.38 0.91 -0.38 6.66 4.20 -1.17 -2.06 115.11 123.65 3ffv h GLN 123 Ca 0.11 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3ffv h GLN 123 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3ffv h GLN 123 CO -0.01 0.88 0.11 -0.22 -0.67 0.00 0.00 178.83 178.92 3ffv h LYS 124 N 0.85 0.60 -0.88 1.46 1.63 -0.99 0.47 116.57 119.70 3ffv h LYS 124 Ca 0.17 -0.13 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 3ffv h LYS 124 Cb 0.45 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 3ffv h LYS 124 CO 0.02 0.61 0.57 -0.09 -3.45 0.00 0.00 179.45 177.11 3ffv h ARG 125 N 0.47 0.93 -0.25 1.90 2.43 -0.97 -0.67 114.38 118.21 3ffv h ARG 125 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3ffv h ARG 125 Cb 0.27 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3ffv h ARG 125 CO -0.00 0.61 0.00 1.28 -1.51 0.00 0.00 179.97 180.35 3ffv n LEU 126 N -4.50 2.78 -3.61 3.80 4.77 -0.80 -4.96 117.00 114.48 3ffv n LEU 126 Ca 0.14 -1.14 -0.21 0.00 -0.03 0.00 0.00 56.01 54.77 3ffv n LEU 126 Cb 0.24 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3ffv n LEU 126 CO 0.32 0.57 0.03 0.29 -1.33 0.00 0.00 177.39 177.27 3ffv n LYS 127 N 1.07 -5.77 -4.04 3.23 4.76 0.11 -4.99 118.16 112.52 3ffv n LYS 127 Ca 0.18 0.71 -0.29 0.00 -2.87 0.00 0.00 58.31 56.04 3ffv n LYS 127 Cb 0.51 -5.49 -0.06 0.00 -1.84 0.00 0.00 35.03 28.15 3ffv n LYS 127 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ffv s LEU 128 N -6.65 3.88 -0.04 -0.35 1.43 0.12 -5.01 118.68 112.07 3ffv s LEU 128 Ca 0.09 -0.01 -0.34 0.00 -1.03 0.00 0.00 54.13 52.84 3ffv s LEU 128 Cb -0.04 -2.53 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 3ffv s LEU 128 CO 0.78 0.13 1.81 -2.65 0.23 0.00 0.00 176.35 176.65 3ffv n PRO 129 N 0.14 2.15 -1.88 1.29 -0.02 -1.26 -4.62 135.00 130.80 3ffv n PRO 129 Ca -0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3ffv n PRO 129 Cb 0.53 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 3ffv n PRO 129 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ffv s PRO 130 N 3.36 4.19 0.13 0.52 0.04 -1.26 -4.96 135.00 137.02 3ffv s PRO 130 Ca 0.90 2.45 -0.01 0.00 0.04 0.00 0.00 61.00 64.38 3ffv s PRO 130 Cb -0.70 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 3ffv s PRO 130 CO 0.49 -0.55 0.04 0.95 0.04 0.00 0.00 177.00 177.97 3ffv s THR 131 N 0.15 0.19 -0.21 1.26 -4.23 -1.26 -2.04 115.64 109.50 3ffv s THR 131 Ca 0.63 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3ffv s THR 131 Cb -0.45 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.44 3ffv s THR 131 CO 0.44 -0.51 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.22 3ffv s LEU 132 N -3.05 2.04 0.47 4.79 1.43 -0.56 -4.78 118.68 119.01 3ffv s LEU 132 Ca 0.23 -1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.10 3ffv s LEU 132 Cb 0.07 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 45.25 3ffv s LEU 132 CO 0.01 -0.25 1.22 0.72 0.23 0.00 0.00 176.35 178.28 3ffv s PHE 133 N 1.56 2.76 0.00 0.29 -0.12 -1.26 -0.50 117.98 120.71 3ffv s PHE 133 Ca -0.04 1.49 0.00 0.00 -0.05 0.00 0.00 56.93 58.34 3ffv s PHE 133 Cb -0.18 -3.49 0.00 0.00 -0.63 0.00 0.00 43.02 38.72 3ffv s PHE 133 CO -0.07 -1.83 0.00 0.44 -0.05 0.00 0.00 175.22 173.71 3ffv n ILE 134 N -0.52 0.00 -3.67 -4.49 -5.35 -0.17 -4.87 119.36 100.29 3ffv n ILE 134 Ca 0.07 -0.14 -0.12 0.00 -0.27 0.00 0.00 62.75 62.29 3ffv n ILE 134 Cb 0.47 0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 39.07 3ffv n ILE 134 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ffv s ALA 135 N -0.53 -0.95 0.31 -1.28 0.00 -0.95 -0.81 121.76 117.55 3ffv s ALA 135 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.25 3ffv s ALA 135 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 3ffv s ALA 135 CO 0.00 -0.49 0.03 0.95 0.00 0.00 0.00 175.76 176.25 3ffv s THR 136 N -2.77 3.05 0.41 0.00 -4.23 -0.56 -1.89 115.64 109.64 3ffv s THR 136 Ca -0.03 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 3ffv s THR 136 Cb -0.00 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 3ffv s THR 136 CO -0.05 -0.27 0.11 -0.76 -0.54 0.00 0.00 174.62 173.12 3ffv s LEU 137 N -3.73 2.03 0.20 4.79 1.43 -1.19 -1.47 118.68 120.74 3ffv s LEU 137 Ca 0.34 -1.64 0.09 0.00 -1.03 0.00 0.00 54.13 51.89 3ffv s LEU 137 Cb -0.03 -0.17 0.07 0.00 0.03 0.00 0.00 46.19 46.08 3ffv s LEU 137 CO 0.20 -0.89 1.44 -0.08 0.23 0.00 0.00 176.35 177.25 3ffv h GLU 138 N 1.79 0.00 -6.61 1.70 4.57 -1.87 -3.43 114.58 110.73 3ffv h GLU 138 Ca -0.36 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.29 3ffv h GLU 138 Cb 1.27 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.91 3ffv h GLU 138 CO 0.59 0.79 0.95 -1.21 -1.18 0.00 0.00 179.01 178.96 3ffv s GLU 139 N -3.11 4.17 0.23 1.92 8.01 -1.26 -4.89 118.70 123.77 3ffv s GLU 139 Ca 0.00 2.47 -0.06 0.00 0.01 0.00 0.00 54.97 57.40 3ffv s GLU 139 Cb 0.11 -3.17 0.41 0.00 -4.31 0.00 0.00 34.13 27.16 3ffv s GLU 139 CO 0.79 -0.69 1.72 1.49 0.01 0.00 0.00 175.26 178.58 3ffv h GLU 140 N 6.98 0.35 -0.38 1.61 4.81 -2.04 -2.74 114.58 123.18 3ffv h GLU 140 Ca -0.43 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3ffv h GLU 140 Cb 1.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3ffv h GLU 140 CO 0.93 0.23 0.01 1.28 -0.73 0.00 0.00 179.01 180.74 3ffv n LEU 141 N -5.06 4.54 -4.56 1.64 4.32 -1.26 -4.97 117.00 111.65 3ffv n LEU 141 Ca 0.13 -3.04 -0.35 0.00 -0.02 0.00 0.00 56.01 52.72 3ffv n LEU 141 Cb 0.39 -0.60 -0.11 0.00 -1.62 0.00 0.00 43.42 41.48 3ffv n LEU 141 CO 0.17 0.69 -0.28 -0.70 -1.22 0.00 0.00 177.39 176.05 3ffv s GLU 142 N -2.85 3.83 0.13 3.23 2.56 -1.03 -0.01 118.70 124.55 3ffv s GLU 142 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 54.97 55.01 3ffv s GLU 142 Cb 0.37 -3.17 -0.04 0.00 2.00 0.00 0.00 34.13 33.30 3ffv s GLU 142 CO 0.11 0.16 0.04 0.14 -0.56 0.00 0.00 175.26 175.15 3ffv s VAL 143 N 0.64 0.16 -0.11 3.70 -7.23 -0.30 -3.18 120.40 114.09 3ffv s VAL 143 Ca 0.02 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3ffv s VAL 143 Cb -0.13 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 3ffv s VAL 143 CO 0.02 -0.52 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.57 3ffv s ILE 144 N -4.00 3.52 0.25 -0.62 1.01 -0.79 -0.64 121.20 119.93 3ffv s ILE 144 Ca 0.22 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 3ffv s ILE 144 Cb 0.07 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3ffv s ILE 144 CO 0.01 0.55 0.30 -0.44 0.00 0.00 0.00 174.94 175.35 3ffv s SER 145 N -0.13 0.31 -0.33 3.58 0.01 -0.08 -1.00 113.70 116.06 3ffv s SER 145 Ca 0.01 -1.29 -0.13 0.00 1.31 0.00 0.00 55.95 55.85 3ffv s SER 145 Cb -0.13 0.50 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 3ffv s SER 145 CO 0.03 -1.02 0.23 -0.69 0.41 0.00 0.00 173.24 172.20 3ffv s VAL 146 N -3.90 5.29 -0.37 3.43 1.01 0.35 -0.73 120.40 125.48 3ffv s VAL 146 Ca 0.33 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 3ffv s VAL 146 Cb 0.03 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ffv s VAL 146 CO 0.14 0.03 1.48 0.00 0.00 0.00 0.00 175.10 176.74 3ffv h ASN 148 N 10.87 0.00 -0.33 0.00 -1.24 -1.72 0.21 115.58 123.37 3ffv h ASN 148 Ca -0.29 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.69 3ffv h ASN 148 Cb 1.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.15 3ffv h ASN 148 CO 1.06 0.00 0.10 0.25 -1.29 0.00 0.00 177.43 177.55 3ffv h LEU 149 N 0.00 0.49 0.00 0.34 5.85 -1.90 -3.39 115.31 116.70 3ffv h LEU 149 Ca 0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3ffv h LEU 149 Cb 0.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3ffv h LEU 149 CO -0.00 0.58 -0.71 -1.54 -0.34 0.00 0.00 178.44 176.42 3ffv n SER 150 N -4.65 3.56 0.00 1.25 3.41 -1.12 -5.02 113.62 111.05 3ffv n SER 150 Ca -0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3ffv n SER 150 Cb 0.18 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 3ffv n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ffv n GLY 151 N 2.03 0.68 3.78 5.00 0.00 0.71 -5.03 105.19 112.36 3ffv n GLY 151 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ffv n GLY 151 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ffv s GLU 152 N -0.66 2.74 -0.22 1.61 -1.05 -1.23 -3.90 118.70 115.98 3ffv s GLU 152 Ca 0.00 1.24 -0.14 0.00 -0.15 0.00 0.00 54.97 55.92 3ffv s GLU 152 Cb 0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.69 3ffv s GLU 152 CO 0.00 -1.28 0.31 0.08 0.95 0.00 0.00 175.26 175.32 3ffv s VAL 153 N -2.61 5.26 0.20 1.83 1.01 -0.27 -0.63 120.40 125.19 3ffv s VAL 153 Ca 0.64 0.50 0.08 0.00 0.00 0.00 0.00 61.98 63.19 3ffv s VAL 153 Cb -0.18 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3ffv s VAL 153 CO 0.47 0.28 -0.15 0.00 0.00 0.00 0.00 175.10 175.70 3ffv s LYS 155 N -3.45 3.59 0.13 0.00 2.20 0.41 -0.90 119.74 121.73 3ffv s LYS 155 Ca 0.21 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 3ffv s LYS 155 Cb -0.02 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 3ffv s LYS 155 CO 0.07 0.08 -0.09 -1.83 -0.36 0.00 0.00 175.35 173.22 3ffv s GLU 156 N 0.79 1.00 -0.22 4.03 -1.05 0.19 -1.26 118.70 122.18 3ffv s GLU 156 Ca -0.01 -1.41 -0.05 0.00 -0.15 0.00 0.00 54.97 53.35 3ffv s GLU 156 Cb -0.14 -0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 33.00 3ffv s GLU 156 CO 0.02 0.05 0.01 0.99 0.95 0.00 0.00 175.26 177.28 3ffv s THR 157 N -3.34 3.94 0.47 1.83 2.01 -1.24 -1.15 115.64 118.16 3ffv s THR 157 Ca 0.15 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 3ffv s THR 157 Cb 0.03 -2.80 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 3ffv s THR 157 CO -0.01 0.41 1.32 0.18 -0.69 0.00 0.00 174.62 175.82 3ffv n LEU 158 N 4.51 4.65 0.00 4.42 4.77 0.98 -2.52 117.00 133.81 3ffv n LEU 158 Ca -0.17 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 3ffv n LEU 158 Cb 0.51 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3ffv n LEU 158 CO 0.31 -0.58 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 3ffv n GLY 159 N 0.77 0.75 3.34 -0.72 0.00 -1.26 -5.02 105.19 103.04 3ffv n GLY 159 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3ffv n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ffv s THR 160 N -3.07 1.28 -0.76 2.61 -4.23 -1.05 -5.03 115.64 105.38 3ffv s THR 160 Ca 0.00 -2.08 0.26 0.00 -1.18 0.00 0.00 61.69 58.69 3ffv s THR 160 Cb 0.00 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.87 3ffv s THR 160 CO 0.00 -0.43 1.79 0.54 -0.54 0.00 0.00 174.62 175.98 3ffv n ARG 161 N -0.41 0.21 -1.68 3.99 5.12 -1.26 -4.79 116.66 117.84 3ffv n ARG 161 Ca -0.06 0.19 -0.47 0.00 -1.93 0.00 0.00 57.85 55.58 3ffv n ARG 161 Cb 0.63 -1.75 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 3ffv n ARG 161 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3ffv n LYS 162 N -2.12 2.22 -3.89 5.56 4.81 -1.26 -4.91 118.16 118.58 3ffv n LYS 162 Ca 0.06 0.81 -0.11 0.00 -0.87 0.00 0.00 58.31 58.19 3ffv n LYS 162 Cb 0.40 -2.62 -0.12 0.00 0.02 0.00 0.00 35.03 32.70 3ffv n LYS 162 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3ffv s ARG 163 N 2.44 0.24 -0.04 1.64 1.81 -1.26 -3.66 118.95 120.12 3ffv s ARG 163 Ca 0.85 -0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.65 3ffv s ARG 163 Cb -0.67 0.10 0.03 0.00 -0.45 0.00 0.00 34.95 33.96 3ffv s ARG 163 CO 0.44 -0.04 -0.01 0.95 -0.68 0.00 0.00 175.30 175.95 3ffv s THR 164 N -0.70 0.30 0.12 0.02 -4.23 -0.39 -4.94 115.64 105.83 3ffv s THR 164 Ca -0.08 0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.16 3ffv s THR 164 Cb -0.05 -0.39 -0.09 0.00 1.34 0.00 0.00 72.50 73.32 3ffv s THR 164 CO 0.00 0.18 1.46 -2.28 -0.54 0.00 0.00 174.62 173.44 3ffv s HIS 165 N 1.14 3.14 -0.08 3.99 2.46 -1.26 -0.44 115.29 124.24 3ffv s HIS 165 Ca -0.08 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.27 3ffv s HIS 165 Cb -0.14 -3.77 -0.05 0.00 -0.13 0.00 0.00 32.58 28.49 3ffv s HIS 165 CO -0.02 -2.77 -0.07 1.28 -2.47 0.00 0.00 174.74 170.69 3ffv n LEU 166 N 4.07 2.91 -3.67 8.88 4.77 0.14 -4.90 117.00 129.21 3ffv n LEU 166 Ca 0.12 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3ffv n LEU 166 Cb 0.41 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 3ffv n LEU 166 CO 0.60 0.62 0.16 0.00 -1.33 0.00 0.00 177.39 177.43 3ffv s ALA 167 N -2.16 -1.03 0.36 -1.18 0.00 -0.84 -4.99 121.76 111.91 3ffv s ALA 167 Ca -0.11 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3ffv s ALA 167 Cb 0.03 0.30 0.67 0.00 0.00 0.00 0.00 23.12 24.11 3ffv s ALA 167 CO 0.18 -0.43 2.01 0.77 0.00 0.00 0.00 175.76 178.29 3ffv h SER 168 N 3.10 0.70 -5.09 0.00 0.02 -1.93 -0.69 113.55 109.66 3ffv h SER 168 Ca -0.31 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.71 3ffv h SER 168 Cb 1.20 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 3ffv h SER 168 CO 0.43 0.50 0.30 0.54 -1.14 0.00 0.00 176.83 177.46 3ffv s ASN 169 N -6.46 -0.21 0.16 3.07 2.20 -1.26 -3.79 114.94 108.66 3ffv s ASN 169 Ca -0.10 -0.62 -0.15 0.00 -0.94 0.00 0.00 52.86 51.05 3ffv s ASN 169 Cb 0.18 0.68 0.08 0.00 -2.00 0.00 0.00 41.25 40.19 3ffv s ASN 169 CO 0.76 -1.28 1.79 0.25 -2.94 0.00 0.00 177.10 175.68 3ffv h LEU 170 N 2.00 0.35 -0.50 3.54 5.85 -1.90 -2.32 115.31 122.33 3ffv h LEU 170 Ca -0.22 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3ffv h LEU 170 Cb 1.24 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 3ffv h LEU 170 CO 0.26 0.25 0.19 0.00 -0.34 0.00 0.00 178.44 178.79 3ffv h ALA 171 N 1.22 0.61 -0.66 1.25 0.00 -1.91 -0.79 119.26 118.98 3ffv h ALA 171 Ca 0.18 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3ffv h ALA 171 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ffv h ALA 171 CO -0.11 -0.20 0.42 1.49 0.00 0.00 0.00 179.25 180.84 3ffv h GLU 172 N 0.37 0.81 0.05 0.00 4.81 -1.88 -0.85 114.58 117.90 3ffv h GLU 172 Ca 0.24 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3ffv h GLU 172 Cb 0.24 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3ffv h GLU 172 CO -0.23 0.54 -0.03 0.35 -0.73 0.00 0.00 179.01 178.90 3ffv h PHE 173 N 0.83 -0.09 -0.69 0.92 3.57 -0.87 -2.52 116.94 118.10 3ffv h PHE 173 Ca 0.26 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3ffv h PHE 173 Cb -0.02 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3ffv h PHE 173 CO -0.04 -0.06 0.33 -0.07 -2.23 0.00 0.00 178.31 176.24 3ffv h LEU 174 N -0.09 0.88 -1.23 0.59 3.38 -0.89 -1.94 115.31 116.02 3ffv h LEU 174 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ffv h LEU 174 Cb 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ffv h LEU 174 CO 0.00 0.75 0.00 0.78 0.09 0.00 0.00 178.44 180.06 3ffv h ASN 175 N 0.97 0.00 0.66 -0.43 2.35 -1.00 -2.96 115.58 115.17 3ffv h ASN 175 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3ffv h ASN 175 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3ffv h ASN 175 CO -0.03 0.00 -1.11 0.00 -1.65 0.00 0.00 177.43 174.64 3ffv n GLN 176 N -2.96 0.48 -2.04 0.81 1.13 -0.78 -4.96 117.38 109.05 3ffv n GLN 176 Ca 0.01 0.03 -0.41 0.00 -1.94 0.00 0.00 57.00 54.70 3ffv n GLN 176 Cb 0.31 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.95 3ffv n GLN 176 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ffv s LEU 177 N -4.67 4.39 -0.07 1.08 1.43 -0.88 -4.77 118.68 115.20 3ffv s LEU 177 Ca 0.00 2.77 0.04 0.00 -1.03 0.00 0.00 54.13 55.92 3ffv s LEU 177 Cb 0.12 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 3ffv s LEU 177 CO 0.80 -0.63 -0.17 -0.54 0.23 0.00 0.00 176.35 176.04 3ffv s LYS 178 N -1.89 2.68 0.63 1.70 1.02 -0.78 -4.95 119.74 118.14 3ffv s LYS 178 Ca 0.50 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.55 3ffv s LYS 178 Cb -0.41 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3ffv s LYS 178 CO 0.55 0.48 1.25 -2.14 -0.92 0.00 0.00 175.35 174.57 3ffv s PRO 179 N -0.36 2.72 -0.12 -1.68 0.02 -1.26 -0.98 135.00 133.34 3ffv s PRO 179 Ca 0.03 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3ffv s PRO 179 Cb -0.12 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3ffv s PRO 179 CO 0.02 -1.43 -0.11 -1.17 -0.33 0.00 0.00 177.00 173.98 3ffv s LEU 180 N -4.28 1.47 0.00 -5.54 2.96 -0.09 -4.68 118.68 108.51 3ffv s LEU 180 Ca 0.80 -0.38 0.13 0.00 -0.22 0.00 0.00 54.13 54.46 3ffv s LEU 180 Cb -0.33 -0.99 0.10 0.00 0.50 0.00 0.00 46.19 45.47 3ffv s LEU 180 CO 0.37 -0.07 0.92 0.18 -1.32 0.00 0.00 176.35 176.43