#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fm8 n GLN 2 N 0.00 0.00 -0.38 2.12 -0.06 -1.26 -4.68 117.38 113.11 2fm8 n GLN 2 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 2fm8 n GLN 2 Cb 0.00 0.00 0.32 0.00 -4.06 0.00 0.00 30.24 26.50 2fm8 n GLN 2 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 2fm8 n HIS 3 N -0.46 0.99 -2.21 3.69 -0.00 -1.26 -5.04 115.22 110.94 2fm8 n HIS 3 Ca 0.00 -0.48 -0.42 0.00 0.46 0.00 0.00 57.72 57.27 2fm8 n HIS 3 Cb 0.00 -0.02 -0.03 0.00 -0.12 0.00 0.00 29.99 29.82 2fm8 n HIS 3 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2fm8 s LEU 4 N -1.07 4.32 -0.45 0.27 2.96 -1.26 -4.97 118.68 118.48 2fm8 s LEU 4 Ca 0.48 2.13 -0.10 0.00 -0.22 0.00 0.00 54.13 56.42 2fm8 s LEU 4 Cb 0.25 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.48 2fm8 s LEU 4 CO 0.32 -0.73 0.32 -0.62 -1.32 0.00 0.00 176.35 174.31 2fm8 s ASP 5 N 1.91 5.75 0.16 3.68 -1.08 -1.26 -4.96 116.67 120.86 2fm8 s ASP 5 Ca 0.64 -1.62 -0.11 0.00 -0.52 0.00 0.00 52.55 50.94 2fm8 s ASP 5 Cb -0.32 -2.03 0.02 0.00 -1.46 0.00 0.00 42.92 39.13 2fm8 s ASP 5 CO 0.27 -0.62 1.58 -0.29 0.52 0.00 0.00 175.17 176.63 2fm8 h ILE 6 N 6.04 1.27 -0.72 4.11 6.09 -1.99 -1.52 117.51 130.79 2fm8 h ILE 6 Ca -0.23 -1.20 0.09 0.00 -1.37 0.00 0.00 64.86 62.14 2fm8 h ILE 6 Cb 1.08 1.01 -0.07 0.00 0.47 0.00 0.00 36.82 39.32 2fm8 h ILE 6 CO 0.82 0.42 0.38 0.00 -3.07 0.00 0.00 178.15 176.70 2fm8 h ALA 7 N 0.91 1.00 -0.07 0.18 0.00 -1.93 0.86 119.26 120.21 2fm8 h ALA 7 Ca 0.13 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2fm8 h ALA 7 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2fm8 h ALA 7 CO 0.04 -0.00 -0.66 0.93 0.00 0.00 0.00 179.25 179.56 2fm8 h GLU 8 N 0.65 0.29 -0.13 0.00 4.39 -1.87 -0.03 114.58 117.88 2fm8 h GLU 8 Ca 0.35 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2fm8 h GLU 8 Cb 0.34 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2fm8 h GLU 8 CO -0.25 0.85 0.07 1.25 -1.16 0.00 0.00 179.01 179.77 2fm8 h LEU 9 N 0.21 0.17 -0.30 1.33 5.85 -0.81 -1.64 115.31 120.12 2fm8 h LEU 9 Ca -0.01 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2fm8 h LEU 9 Cb 1.19 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2fm8 h LEU 9 CO 0.11 0.21 0.15 0.58 -0.34 0.00 0.00 178.44 179.14 2fm8 h VAL 10 N 0.12 1.15 -0.62 1.05 2.07 -0.63 -0.68 116.25 118.71 2fm8 h VAL 10 Ca 0.05 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2fm8 h VAL 10 Cb 0.08 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2fm8 h VAL 10 CO -0.01 0.16 0.38 -0.09 0.02 0.00 0.00 177.57 178.03 2fm8 h ARG 11 N 0.36 0.74 -0.35 1.57 2.43 -0.97 -1.25 114.38 116.90 2fm8 h ARG 11 Ca 0.10 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2fm8 h ARG 11 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2fm8 h ARG 11 CO -0.01 0.49 -0.06 1.03 -1.51 0.00 0.00 179.97 179.91 2fm8 h SER 12 N 0.76 0.66 -0.98 -3.80 0.87 -1.09 -1.68 113.55 108.29 2fm8 h SER 12 Ca 0.25 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2fm8 h SER 12 Cb 0.01 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 2fm8 h SER 12 CO -0.10 0.85 0.63 0.00 -0.53 0.00 0.00 176.83 177.69 2fm8 h ALA 13 N 0.83 1.28 -0.07 6.23 0.00 -0.81 -0.83 119.26 125.89 2fm8 h ALA 13 Ca 0.09 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2fm8 h ALA 13 Cb 0.55 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2fm8 h ALA 13 CO 0.03 0.66 -0.55 -0.07 0.00 0.00 0.00 179.25 179.31 2fm8 h LEU 14 N 1.33 0.23 -0.02 0.00 3.38 -1.09 -1.26 115.31 117.89 2fm8 h LEU 14 Ca 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2fm8 h LEU 14 Cb -0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2fm8 h LEU 14 CO -0.07 0.74 0.00 -0.08 0.09 0.00 0.00 178.44 179.12 2fm8 h GLU 15 N 0.16 0.03 -1.00 1.13 4.81 -0.93 0.40 114.58 119.19 2fm8 h GLU 15 Ca 0.00 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2fm8 h GLU 15 Cb 1.02 -0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.30 2fm8 h GLU 15 CO 0.08 0.31 0.61 0.28 -0.73 0.00 0.00 179.01 179.57 2fm8 h VAL 16 N -0.25 0.72 0.00 0.32 2.07 -0.99 -0.79 116.25 117.32 2fm8 h VAL 16 Ca 0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2fm8 h VAL 16 Cb 0.30 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2fm8 h VAL 16 CO 0.00 0.14 0.00 0.28 0.02 0.00 0.00 177.57 178.01 2fm8 h SER 17 N 0.76 0.00 0.00 0.57 0.02 -0.94 -3.46 113.55 110.50 2fm8 h SER 17 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 2fm8 h SER 17 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2fm8 h SER 17 CO -0.36 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.94 2fm8 n GLY 18 N 0.40 0.99 3.77 -3.77 0.00 -0.30 -5.06 105.19 101.22 2fm8 n GLY 18 Ca 0.03 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2fm8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fm8 s ASP 20 N -1.61 5.66 0.48 0.00 -1.08 -1.26 -4.78 116.67 114.08 2fm8 s ASP 20 Ca 0.70 1.04 0.32 0.00 -0.52 0.00 0.00 52.55 54.10 2fm8 s ASP 20 Cb -0.26 -2.53 1.66 0.00 -1.46 0.00 0.00 42.92 40.33 2fm8 s ASP 20 CO 0.30 -1.94 1.98 1.55 0.52 0.00 0.00 175.17 177.59 2fm8 h PRO 21 N 13.74 0.00 0.00 4.34 0.13 -1.95 -1.73 132.00 146.54 2fm8 h PRO 21 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2fm8 h PRO 21 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2fm8 h PRO 21 CO 1.09 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.51 2fm8 h SER 22 N 0.00 0.00 1.20 1.44 4.64 -2.04 -2.92 113.55 115.87 2fm8 h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fm8 h SER 22 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2fm8 h SER 22 CO 0.00 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2fm8 h LEU 23 N 0.00 0.00 -8.77 5.97 3.38 -1.72 -3.44 115.31 110.73 2fm8 h LEU 23 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2fm8 h LEU 23 Cb 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2fm8 h LEU 23 CO 0.00 0.00 0.74 -0.63 0.09 0.00 0.00 178.44 178.64 2fm8 s ILE 24 N -3.31 4.42 0.00 1.22 1.01 -1.11 -5.03 121.20 118.40 2fm8 s ILE 24 Ca 0.06 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.89 2fm8 s ILE 24 Cb 0.09 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2fm8 s ILE 24 CO 0.52 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 175.32 2fm8 n GLY 25 N 4.59 0.65 3.60 6.18 0.00 -1.26 -4.96 105.19 113.99 2fm8 n GLY 25 Ca 0.09 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2fm8 n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fm8 s GLY 26 N -0.36 0.98 -0.04 -0.02 0.00 -1.26 -4.98 107.32 101.64 2fm8 s GLY 26 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.60 2fm8 s GLY 26 CO 0.00 2.90 -0.10 -0.26 0.00 0.00 0.00 173.10 175.64 2fm8 s ILE 27 N 5.95 0.90 0.00 0.90 -4.36 -1.26 -4.87 121.20 118.45 2fm8 s ILE 27 Ca 0.65 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.64 2fm8 s ILE 27 Cb -0.15 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.75 2fm8 s ILE 27 CO 0.32 0.29 0.00 -0.90 0.24 0.00 0.00 174.94 174.88 2fm8 n ASP 28 N 3.50 0.00 -0.40 4.36 5.75 -1.26 -4.95 116.55 123.55 2fm8 n ASP 28 Ca -0.20 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.70 2fm8 n ASP 28 Cb 0.53 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.13 2fm8 n ASP 28 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2fm8 n SER 29 N 0.00 1.21 -3.58 -1.12 7.64 -1.26 -4.92 113.62 111.59 2fm8 n SER 29 Ca 0.00 -1.52 -0.27 0.00 1.01 0.00 0.00 58.87 58.09 2fm8 n SER 29 Cb 0.00 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 2fm8 n SER 29 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2fm8 n HIS 30 N -0.02 -2.17 -3.11 1.43 8.25 -1.26 -5.01 115.22 113.34 2fm8 n HIS 30 Ca 0.18 0.73 -0.08 0.00 -0.26 0.00 0.00 57.72 58.29 2fm8 n HIS 30 Cb 0.28 -3.92 0.02 0.00 1.12 0.00 0.00 29.99 27.49 2fm8 n HIS 30 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fm8 n SER 31 N -2.65 0.96 -4.72 0.41 7.64 -1.26 -5.02 113.62 108.98 2fm8 n SER 31 Ca -0.00 -1.63 -0.42 0.00 1.01 0.00 0.00 58.87 57.82 2fm8 n SER 31 Cb 0.55 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 2fm8 n SER 31 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2fm8 s THR 32 N -0.53 2.77 0.03 0.44 2.01 -1.26 -4.90 115.64 114.20 2fm8 s THR 32 Ca 0.23 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.56 2fm8 s THR 32 Cb -0.02 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 2fm8 s THR 32 CO 0.14 0.05 0.67 -0.63 -0.69 0.00 0.00 174.62 174.17 2fm8 s ILE 33 N 0.95 4.80 -0.11 1.82 1.01 -0.47 -4.93 121.20 124.26 2fm8 s ILE 33 Ca 0.67 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.77 2fm8 s ILE 33 Cb -0.42 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.05 2fm8 s ILE 33 CO 0.33 0.41 -0.18 -0.69 0.00 0.00 0.00 174.94 174.80 2fm8 s VAL 34 N -0.24 1.73 -0.43 2.92 1.01 -1.26 -0.34 120.40 123.79 2fm8 s VAL 34 Ca 0.34 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2fm8 s VAL 34 Cb -0.19 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.69 2fm8 s VAL 34 CO 0.20 0.49 0.32 -0.76 0.00 0.00 0.00 175.10 175.35 2fm8 s LEU 35 N 0.83 5.27 0.33 3.92 1.43 0.12 -4.98 118.68 125.61 2fm8 s LEU 35 Ca -0.09 -1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 51.57 2fm8 s LEU 35 Cb -0.16 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 2fm8 s LEU 35 CO 0.00 -0.54 0.93 -1.81 0.23 0.00 0.00 176.35 175.16 2fm8 s ASP 36 N 2.12 7.25 0.08 2.29 1.01 -1.26 -1.22 116.67 126.94 2fm8 s ASP 36 Ca 0.04 1.78 0.03 0.00 0.71 0.00 0.00 52.55 55.11 2fm8 s ASP 36 Cb -0.22 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 2fm8 s ASP 36 CO 0.07 -0.11 -0.10 -0.76 0.21 0.00 0.00 175.17 174.48 2fm8 s LEU 37 N -2.23 2.37 0.14 1.23 1.43 -1.26 -4.99 118.68 115.37 2fm8 s LEU 37 Ca 0.52 -0.76 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2fm8 s LEU 37 Cb -0.17 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.77 2fm8 s LEU 37 CO 0.22 -0.24 1.64 0.15 0.23 0.00 0.00 176.35 178.34 2fm8 h PHE 38 N 3.77 -0.57 0.00 0.29 3.57 -1.97 -3.33 116.94 118.70 2fm8 h PHE 38 Ca -0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2fm8 h PHE 38 Cb 1.19 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.21 2fm8 h PHE 38 CO 0.63 -0.29 -0.42 0.00 -2.23 0.00 0.00 178.31 176.00 2fm8 n ALA 39 N -2.72 2.02 -2.35 2.41 0.00 -1.26 -5.09 120.51 113.52 2fm8 n ALA 39 Ca -0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 53.44 52.02 2fm8 n ALA 39 Cb 0.27 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 2fm8 n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fm8 s LEU 40 N -0.42 2.52 0.55 0.00 1.43 -1.25 -5.12 118.68 116.38 2fm8 s LEU 40 Ca 0.05 -0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 51.96 2fm8 s LEU 40 Cb 0.04 -0.59 -0.06 0.00 0.03 0.00 0.00 46.19 45.62 2fm8 s LEU 40 CO 0.00 -0.20 1.14 -2.65 0.23 0.00 0.00 176.35 174.88 2fm8 n PRO 41 N -0.15 1.31 -1.87 1.29 -0.02 -1.26 -4.35 135.00 129.94 2fm8 n PRO 41 Ca -0.10 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 2fm8 n PRO 41 Cb 0.60 -2.32 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2fm8 n PRO 41 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2fm8 s SER 42 N -1.02 5.95 -0.19 2.55 0.01 -1.26 -4.73 113.70 115.01 2fm8 s SER 42 Ca 0.72 2.84 -0.15 0.00 1.31 0.00 0.00 55.95 60.67 2fm8 s SER 42 Cb -0.44 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.10 2fm8 s SER 42 CO 0.49 -1.12 0.36 -0.63 0.41 0.00 0.00 173.24 172.76 2fm8 s ILE 43 N -1.23 5.24 -0.09 1.44 1.01 -0.36 -4.48 121.20 122.73 2fm8 s ILE 43 Ca 0.61 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 2fm8 s ILE 43 Cb -0.42 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2fm8 s ILE 43 CO 0.54 0.30 0.03 0.00 0.00 0.00 0.00 174.94 175.80 2fm8 s ILE 45 N -0.89 1.58 0.00 0.00 1.01 0.54 -0.84 121.20 122.60 2fm8 s ILE 45 Ca 0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2fm8 s ILE 45 Cb -0.11 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2fm8 s ILE 45 CO 0.03 0.46 0.26 -0.55 0.00 0.00 0.00 174.94 175.13 2fm8 s SER 46 N 0.77 -0.10 -0.23 3.58 0.15 -0.04 -1.37 113.70 116.46 2fm8 s SER 46 Ca -0.11 -0.08 -0.10 0.00 0.70 0.00 0.00 55.95 56.36 2fm8 s SER 46 Cb -0.16 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 2fm8 s SER 46 CO 0.02 -0.47 0.15 -0.69 1.20 0.00 0.00 173.24 173.45 2fm8 s VAL 47 N -1.67 5.33 -0.27 4.45 1.01 -1.26 0.03 120.40 128.02 2fm8 s VAL 47 Ca -0.12 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2fm8 s VAL 47 Cb -0.05 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.94 2fm8 s VAL 47 CO 0.02 0.36 0.06 -0.75 0.00 0.00 0.00 175.10 174.78 2fm8 s LYS 48 N 0.98 0.82 -0.70 2.72 2.20 0.77 -4.85 119.74 121.68 2fm8 s LYS 48 Ca 0.07 -0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2fm8 s LYS 48 Cb -0.13 -2.12 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2fm8 s LYS 48 CO 0.04 -0.84 0.49 -0.25 -0.36 0.00 0.00 175.35 174.42 2fm8 n ASP 49 N 4.87 -3.78 -0.44 1.43 8.00 -1.26 -0.92 116.55 124.45 2fm8 n ASP 49 Ca -0.05 -0.82 -0.06 0.00 0.71 0.00 0.00 54.79 54.57 2fm8 n ASP 49 Cb 0.44 -1.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.24 2fm8 n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2fm8 n ASP 50 N -1.98 -5.36 -4.54 -2.24 8.00 -1.26 -4.99 116.55 104.18 2fm8 n ASP 50 Ca -0.25 0.14 -0.34 0.00 0.71 0.00 0.00 54.79 55.06 2fm8 n ASP 50 Cb 0.55 -3.37 -0.12 0.00 -0.02 0.00 0.00 41.12 38.16 2fm8 n ASP 50 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2fm8 s ASP 51 N -2.27 4.86 -0.24 -2.24 1.01 -0.10 -5.06 116.67 112.63 2fm8 s ASP 51 Ca 0.00 -0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 2fm8 s ASP 51 Cb 0.00 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 2fm8 s ASP 51 CO 0.00 0.22 0.39 -0.69 0.21 0.00 0.00 175.17 175.30 2fm8 s VAL 52 N 0.05 5.18 -0.08 -1.27 1.01 -1.26 -0.16 120.40 123.86 2fm8 s VAL 52 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2fm8 s VAL 52 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2fm8 s VAL 52 CO 0.03 0.19 -0.10 0.26 0.00 0.00 0.00 175.10 175.47 2fm8 s TRP 53 N 1.81 2.84 -0.12 5.22 0.52 0.10 -1.06 118.94 128.25 2fm8 s TRP 53 Ca 0.17 -0.19 0.01 0.00 0.02 0.00 0.00 56.10 56.11 2fm8 s TRP 53 Cb -0.15 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 2fm8 s TRP 53 CO 0.09 0.15 -0.14 0.42 0.02 0.00 0.00 176.95 177.49 2fm8 s ILE 54 N -0.47 2.99 0.22 2.03 1.01 -0.36 -0.86 121.20 125.76 2fm8 s ILE 54 Ca 0.06 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2fm8 s ILE 54 Cb -0.12 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2fm8 s ILE 54 CO 0.02 0.54 0.46 -1.66 0.00 0.00 0.00 174.94 174.30 2fm8 s TRP 55 N 0.20 0.22 -0.17 3.97 -2.14 -0.02 -0.04 118.94 120.96 2fm8 s TRP 55 Ca -0.09 -0.58 -0.13 0.00 2.66 0.00 0.00 56.10 57.97 2fm8 s TRP 55 Cb -0.15 0.22 0.05 0.00 -3.10 0.00 0.00 33.47 30.49 2fm8 s TRP 55 CO 0.05 -0.93 0.43 0.00 -2.66 0.00 0.00 176.95 173.84 2fm8 s ALA 56 N -3.97 -1.07 0.32 2.67 0.00 -0.44 -0.45 121.76 118.82 2fm8 s ALA 56 Ca 0.17 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 2fm8 s ALA 56 Cb -0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 2fm8 s ALA 56 CO 0.04 -0.23 1.10 -0.65 0.00 0.00 0.00 175.76 176.03 2fm8 s GLN 57 N 0.64 4.47 0.00 0.00 -0.21 -1.26 -0.84 119.66 122.46 2fm8 s GLN 57 Ca -0.03 1.77 0.20 0.00 0.02 0.00 0.00 55.36 57.32 2fm8 s GLN 57 Cb -0.05 -3.00 0.49 0.00 1.00 0.00 0.00 33.01 31.46 2fm8 s GLN 57 CO -0.04 0.07 1.42 1.28 -2.12 0.00 0.00 175.29 175.89 2fm8 n LEU 58 N 0.80 3.55 0.00 2.90 4.77 0.13 -4.73 117.00 124.42 2fm8 n LEU 58 Ca 0.01 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 2fm8 n LEU 58 Cb 0.46 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2fm8 n LEU 58 CO 0.52 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 2fm8 n GLY 59 N 1.38 3.44 0.36 -0.72 0.00 -1.26 -4.67 105.19 103.72 2fm8 n GLY 59 Ca 0.20 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.56 2fm8 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fm8 h ALA 60 N 0.00 1.98 -0.58 4.61 0.00 -1.96 -2.02 119.26 121.29 2fm8 h ALA 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fm8 h ALA 60 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2fm8 h ALA 60 CO 0.00 -0.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 2fm8 n ASP 61 N -4.48 3.64 -0.33 0.00 8.00 -1.26 -4.67 116.55 117.44 2fm8 n ASP 61 Ca 0.12 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2fm8 n ASP 61 Cb 0.41 -0.38 0.17 0.00 -0.02 0.00 0.00 41.12 41.30 2fm8 n ASP 61 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2fm8 h SER 62 N 3.90 1.04 -0.39 -2.24 4.64 -1.63 -1.10 113.55 117.78 2fm8 h SER 62 Ca 0.00 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2fm8 h SER 62 Cb 0.93 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2fm8 h SER 62 CO 0.00 0.73 -0.19 0.24 -0.87 0.00 0.00 176.83 176.73 2fm8 h MET 63 N 1.21 0.88 -0.14 4.77 2.86 -1.82 0.10 114.93 122.80 2fm8 h MET 63 Ca 0.37 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2fm8 h MET 63 Cb -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2fm8 h MET 63 CO -0.10 0.99 -0.01 0.28 1.06 0.00 0.00 176.91 179.13 2fm8 h VAL 64 N 0.77 1.26 -0.26 -2.22 2.07 -1.81 -3.03 116.25 113.04 2fm8 h VAL 64 Ca 0.11 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2fm8 h VAL 64 Cb 0.73 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2fm8 h VAL 64 CO 0.06 0.26 -0.02 0.58 0.02 0.00 0.00 177.57 178.47 2fm8 h VAL 65 N -0.02 1.17 -0.78 2.57 2.07 -1.04 -1.27 116.25 118.95 2fm8 h VAL 65 Ca 0.04 -0.68 0.21 0.00 0.82 0.00 0.00 66.70 67.09 2fm8 h VAL 65 Cb 0.40 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2fm8 h VAL 65 CO 0.01 0.23 0.55 0.25 0.02 0.00 0.00 177.57 178.63 2fm8 h LEU 66 N 0.38 0.13 -2.07 2.57 5.85 -0.85 -0.88 115.31 120.44 2fm8 h LEU 66 Ca 0.09 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2fm8 h LEU 66 Cb 0.29 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2fm8 h LEU 66 CO 0.01 0.05 0.20 1.56 -0.34 0.00 0.00 178.44 179.92 2fm8 h GLN 67 N 0.13 0.00 0.00 1.25 4.20 -1.22 -1.85 115.11 117.62 2fm8 h GLN 67 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2fm8 h GLN 67 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2fm8 h GLN 67 CO -0.05 0.00 -1.62 1.04 -0.67 0.00 0.00 178.83 177.52 2fm8 n GLN 68 N -4.27 0.68 -0.09 1.46 6.02 -0.38 -4.66 117.38 116.14 2fm8 n GLN 68 Ca 0.03 -0.13 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2fm8 n GLN 68 Cb 0.35 -1.40 0.10 0.00 1.02 0.00 0.00 30.24 30.31 2fm8 n GLN 68 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2fm8 n ARG 69 N -1.98 2.31 -0.08 -1.09 3.00 -0.90 -4.77 116.66 113.15 2fm8 n ARG 69 Ca -0.02 -2.12 0.01 0.00 -0.01 0.00 0.00 57.85 55.71 2fm8 n ARG 69 Cb 0.42 -1.31 0.30 0.00 0.00 0.00 0.00 32.46 31.88 2fm8 n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2fm8 h ALA 70 N 0.40 1.47 -0.18 7.54 0.00 -1.62 -1.65 119.26 125.22 2fm8 h ALA 70 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2fm8 h ALA 70 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2fm8 h ALA 70 CO 0.02 0.42 0.04 -0.92 0.00 0.00 0.00 179.25 178.82 2fm8 h TYR 71 N 0.71 0.30 -0.80 0.00 3.20 -1.88 0.43 116.97 118.93 2fm8 h TYR 71 Ca 0.18 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.03 2fm8 h TYR 71 Cb 0.09 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2fm8 h TYR 71 CO 0.01 0.42 0.53 1.49 -1.64 0.00 0.00 178.16 178.97 2fm8 h GLU 72 N 0.10 1.04 -0.23 1.82 4.81 -1.87 -0.69 114.58 119.56 2fm8 h GLU 72 Ca 0.06 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2fm8 h GLU 72 Cb 0.27 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2fm8 h GLU 72 CO 0.00 0.68 -0.09 0.82 -0.73 0.00 0.00 179.01 179.70 2fm8 h ILE 73 N 1.07 1.30 -0.66 2.32 1.08 -1.05 -2.02 117.51 119.54 2fm8 h ILE 73 Ca 0.30 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2fm8 h ILE 73 Cb -0.09 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 2fm8 h ILE 73 CO -0.07 0.35 0.43 -0.07 -0.69 0.00 0.00 178.15 178.10 2fm8 h LEU 74 N 0.19 0.77 -0.55 1.44 4.07 -0.58 -0.55 115.31 120.08 2fm8 h LEU 74 Ca 0.05 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.02 2fm8 h LEU 74 Cb 0.57 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 2fm8 h LEU 74 CO 0.03 0.57 0.31 0.24 -1.08 0.00 0.00 178.44 178.50 2fm8 h MET 75 N 0.89 0.58 -0.10 1.13 2.86 -1.09 0.80 114.93 120.01 2fm8 h MET 75 Ca 0.24 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2fm8 h MET 75 Cb -0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2fm8 h MET 75 CO -0.05 0.38 -0.02 1.15 1.06 0.00 0.00 176.91 179.44 2fm8 h THR 76 N 0.60 0.91 -0.47 2.22 2.02 -0.95 -2.13 112.91 115.11 2fm8 h THR 76 Ca 0.24 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.49 2fm8 h THR 76 Cb 0.10 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 2fm8 h THR 76 CO -0.14 0.00 0.08 0.40 0.37 0.00 0.00 175.52 176.24 2fm8 h ILE 77 N 0.01 0.73 0.00 3.11 1.08 -0.74 -2.72 117.51 118.98 2fm8 h ILE 77 Ca 0.05 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2fm8 h ILE 77 Cb 0.07 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2fm8 h ILE 77 CO -0.09 0.04 0.00 0.24 -0.69 0.00 0.00 178.15 177.65 2fm8 h MET 78 N 0.21 0.00 0.00 2.37 2.86 -0.54 -1.63 114.93 118.20 2fm8 h MET 78 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2fm8 h MET 78 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2fm8 h MET 78 CO -0.32 0.00 0.00 1.05 1.06 0.00 0.00 176.91 178.70 2fm8 h GLU 79 N 0.00 0.00 0.00 1.72 4.11 -1.05 -3.49 114.58 115.87 2fm8 h GLU 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2fm8 h GLU 79 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2fm8 h GLU 79 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 2fm8 n GLY 80 N -0.12 0.32 2.91 1.06 0.00 -0.61 -5.01 105.19 103.74 2fm8 n GLY 80 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 2fm8 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fm8 h HIS 82 N 8.20 0.00 -0.09 0.00 3.86 -1.95 -2.98 115.15 122.18 2fm8 h HIS 82 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2fm8 h HIS 82 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2fm8 h HIS 82 CO 0.14 0.00 0.00 1.97 0.86 0.00 0.00 177.93 180.90 2fm8 n PHE 83 N -2.82 0.10 -3.84 2.45 1.16 -1.26 -4.96 117.46 108.29 2fm8 n PHE 83 Ca 0.00 -0.06 -0.34 0.00 -1.87 0.00 0.00 57.45 55.18 2fm8 n PHE 83 Cb 0.22 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.04 2fm8 n PHE 83 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fm8 s ALA 84 N -1.52 3.90 0.29 1.98 0.00 -1.13 -0.61 121.76 124.68 2fm8 s ALA 84 Ca 0.24 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2fm8 s ALA 84 Cb 0.17 -1.97 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 2fm8 s ALA 84 CO 0.24 0.69 1.61 1.03 0.00 0.00 0.00 175.76 179.33 2fm8 s ARG 85 N -1.76 4.12 0.00 0.00 0.52 0.47 -1.39 118.95 120.91 2fm8 s ARG 85 Ca 0.26 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 58.06 2fm8 s ARG 85 Cb -0.13 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.32 2fm8 s ARG 85 CO 0.16 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.24 2fm8 n GLY 86 N 2.26 1.64 2.24 -3.53 0.00 -1.26 -4.02 105.19 102.52 2fm8 n GLY 86 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2fm8 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fm8 n GLY 87 N -2.00 0.90 3.34 -0.02 0.00 -0.48 -5.00 105.19 101.94 2fm8 n GLY 87 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2fm8 n GLY 87 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fm8 s GLN 88 N -2.99 0.49 0.70 1.61 0.74 -1.24 -0.75 119.66 118.21 2fm8 s GLN 88 Ca 0.00 0.77 -0.15 0.00 0.05 0.00 0.00 55.36 56.03 2fm8 s GLN 88 Cb 0.00 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.25 2fm8 s GLN 88 CO 0.00 -0.12 1.15 -0.51 -0.55 0.00 0.00 175.29 175.26 2fm8 s LEU 89 N 0.92 3.34 0.20 3.68 1.43 -1.26 -4.77 118.68 122.22 2fm8 s LEU 89 Ca -0.05 2.14 0.11 0.00 -1.03 0.00 0.00 54.13 55.29 2fm8 s LEU 89 Cb -0.06 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 2fm8 s LEU 89 CO -0.08 -1.93 -0.19 -0.76 0.23 0.00 0.00 176.35 173.63 2fm8 s LEU 90 N -5.06 2.63 -0.10 1.79 1.43 0.20 -4.97 118.68 114.61 2fm8 s LEU 90 Ca 0.70 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2fm8 s LEU 90 Cb -0.24 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2fm8 s LEU 90 CO 0.44 0.10 -0.19 -0.76 0.23 0.00 0.00 176.35 176.17 2fm8 s LEU 91 N -2.83 2.40 0.00 1.79 1.43 -1.26 -0.82 118.68 119.39 2fm8 s LEU 91 Ca 0.23 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2fm8 s LEU 91 Cb -0.08 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2fm8 s LEU 91 CO 0.12 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.51 2fm8 n GLY 92 N 3.28 6.27 2.98 -3.19 0.00 -0.28 -4.94 105.19 109.31 2fm8 n GLY 92 Ca -0.18 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 2fm8 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fm8 s GLU 93 N 1.02 0.14 -0.02 1.61 2.12 -1.26 0.02 118.70 122.34 2fm8 s GLU 93 Ca 0.00 0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.90 2fm8 s GLU 93 Cb 0.00 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.26 2fm8 s GLU 93 CO 0.00 -0.22 -0.03 -0.65 -0.54 0.00 0.00 175.26 173.82 2fm8 s GLN 94 N 1.73 0.42 -1.61 4.30 -1.52 0.32 -4.82 119.66 118.48 2fm8 s GLN 94 Ca -0.04 -0.09 -0.12 0.00 -1.95 0.00 0.00 55.36 53.15 2fm8 s GLN 94 Cb -0.11 -0.46 0.11 0.00 -0.22 0.00 0.00 33.01 32.32 2fm8 s GLN 94 CO -0.08 0.01 0.66 0.09 -0.25 0.00 0.00 175.29 175.73 2fm8 n ASN 95 N 3.42 -2.38 -0.64 5.90 3.02 -1.26 -0.81 115.26 122.51 2fm8 n ASN 95 Ca -0.18 -1.01 -0.08 0.00 -0.03 0.00 0.00 54.58 53.27 2fm8 n ASN 95 Cb 0.55 -2.85 -0.04 0.00 -0.61 0.00 0.00 39.78 36.84 2fm8 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fm8 n GLY 96 N -1.62 0.99 3.23 7.41 0.00 -1.26 -5.01 105.19 108.92 2fm8 n GLY 96 Ca -0.05 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2fm8 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fm8 s GLU 97 N -2.47 1.61 0.35 1.61 2.02 0.01 -4.65 118.70 117.17 2fm8 s GLU 97 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 2fm8 s GLU 97 Cb 0.00 -1.60 -0.11 0.00 0.10 0.00 0.00 34.13 32.52 2fm8 s GLU 97 CO 0.00 0.43 1.46 -1.17 0.02 0.00 0.00 175.26 176.01 2fm8 s LEU 98 N -0.66 4.35 -0.08 1.80 2.96 -1.26 -0.52 118.68 125.26 2fm8 s LEU 98 Ca 0.08 2.94 0.05 0.00 -0.22 0.00 0.00 54.13 56.98 2fm8 s LEU 98 Cb -0.08 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 2fm8 s LEU 98 CO -0.00 -0.80 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.10 2fm8 s THR 99 N -0.87 2.13 -0.18 3.68 2.01 0.10 0.20 115.64 122.72 2fm8 s THR 99 Ca 0.54 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 2fm8 s THR 99 Cb -0.45 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2fm8 s THR 99 CO 0.57 0.56 0.17 -0.22 -0.69 0.00 0.00 174.62 175.02 2fm8 s LEU 100 N 0.04 4.25 -0.00 4.42 2.96 -0.02 -1.13 118.68 129.20 2fm8 s LEU 100 Ca -0.10 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2fm8 s LEU 100 Cb -0.15 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2fm8 s LEU 100 CO 0.06 0.20 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.73 2fm8 s LYS 101 N 0.17 0.16 -0.18 1.98 1.02 -0.00 -1.33 119.74 121.55 2fm8 s LYS 101 Ca 0.11 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.05 2fm8 s LYS 101 Cb -0.12 -0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.05 2fm8 s LYS 101 CO 0.00 0.03 -0.16 0.00 -0.92 0.00 0.00 175.35 174.30 2fm8 s ALA 102 N 0.02 2.17 -0.60 5.17 0.00 0.95 -0.63 121.76 128.84 2fm8 s ALA 102 Ca 0.00 -1.17 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 2fm8 s ALA 102 Cb -0.01 -1.19 0.04 0.00 0.00 0.00 0.00 23.12 21.96 2fm8 s ALA 102 CO -0.00 -0.49 1.04 -1.17 0.00 0.00 0.00 175.76 175.14 2fm8 s LEU 103 N 1.34 3.91 0.14 0.00 2.96 -1.26 -1.22 118.68 124.56 2fm8 s LEU 103 Ca 0.03 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.24 2fm8 s LEU 103 Cb -0.14 -2.78 -0.08 0.00 0.50 0.00 0.00 46.19 43.69 2fm8 s LEU 103 CO -0.11 -1.39 1.31 -0.69 -1.32 0.00 0.00 176.35 174.15 2fm8 s VAL 104 N 4.38 3.40 0.26 1.68 1.01 -0.23 -0.39 120.40 130.52 2fm8 s VAL 104 Ca 0.32 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 2fm8 s VAL 104 Cb -0.12 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2fm8 s VAL 104 CO 0.18 0.12 1.25 -2.28 0.00 0.00 0.00 175.10 174.37 2fm8 s HIS 105 N 0.62 3.28 0.56 5.22 2.46 0.22 -4.65 115.29 123.00 2fm8 s HIS 105 Ca 0.60 1.41 0.27 0.00 0.47 0.00 0.00 55.06 57.80 2fm8 s HIS 105 Cb -0.35 -3.54 1.50 0.00 -0.13 0.00 0.00 32.58 30.06 2fm8 s HIS 105 CO 0.34 -1.51 2.02 -1.35 -2.47 0.00 0.00 174.74 171.76 2fm8 h PRO 106 N 4.40 0.00 -0.65 2.88 0.11 -1.94 -0.38 132.00 136.43 2fm8 h PRO 106 Ca -0.46 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.83 2fm8 h PRO 106 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2fm8 h PRO 106 CO 0.71 0.00 0.56 -0.44 -0.21 0.00 0.00 178.00 178.62 2fm8 h ASP 107 N 0.00 0.00 -0.59 -2.05 3.32 -1.95 -0.15 116.42 115.00 2fm8 h ASP 107 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2fm8 h ASP 107 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2fm8 h ASP 107 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 2fm8 n PHE 108 N -3.95 1.76 0.06 4.55 3.72 -0.15 -4.23 117.46 119.21 2fm8 n PHE 108 Ca 0.13 -0.64 0.02 0.00 -0.05 0.00 0.00 57.45 56.90 2fm8 n PHE 108 Cb 0.81 -0.38 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 2fm8 n PHE 108 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2fm8 n LEU 109 N 0.83 1.69 0.09 4.37 4.77 -0.07 -2.75 117.00 125.93 2fm8 n LEU 109 Ca 0.26 -1.42 -0.06 0.00 -0.03 0.00 0.00 56.01 54.75 2fm8 n LEU 109 Cb 1.03 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.07 2fm8 n LEU 109 CO 0.28 0.40 0.25 0.77 -1.33 0.00 0.00 177.39 177.76 2fm8 h SER 110 N 0.61 0.07 -5.03 -1.43 4.64 -1.74 -3.48 113.55 107.20 2fm8 h SER 110 Ca 0.00 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2fm8 h SER 110 Cb 0.32 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2fm8 h SER 110 CO 0.00 0.92 0.22 1.51 -0.87 0.00 0.00 176.83 178.61 2fm8 s ASP 111 N -6.81 -0.08 0.31 4.97 1.47 -1.26 -5.06 116.67 110.21 2fm8 s ASP 111 Ca -0.01 -0.93 0.06 0.00 1.18 0.00 0.00 52.55 52.86 2fm8 s ASP 111 Cb 0.11 0.78 0.50 0.00 -0.34 0.00 0.00 42.92 43.97 2fm8 s ASP 111 CO 0.81 -1.51 1.75 1.23 0.68 0.00 0.00 175.17 178.12 2fm8 h GLY 112 N 2.01 0.34 0.91 2.12 0.00 -1.89 -1.13 103.07 105.43 2fm8 h GLY 112 Ca -0.26 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2fm8 h GLY 112 CO 0.33 0.26 0.03 0.83 0.00 0.00 0.00 176.54 177.99 2fm8 h GLU 113 N 0.28 0.59 -0.37 4.80 5.08 -1.93 0.88 114.58 123.90 2fm8 h GLU 113 Ca 0.04 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2fm8 h GLU 113 Cb 0.69 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2fm8 h GLU 113 CO 0.05 0.69 0.10 0.87 -1.00 0.00 0.00 179.01 179.72 2fm8 h LYS 114 N 0.41 0.59 -0.19 2.33 1.79 -1.84 -2.33 116.57 117.33 2fm8 h LYS 114 Ca 0.10 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2fm8 h LYS 114 Cb 0.40 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2fm8 h LYS 114 CO 0.01 0.63 -0.32 0.35 -1.08 0.00 0.00 179.45 179.04 2fm8 h PHE 115 N 0.45 0.45 -0.98 -1.35 3.57 -1.01 -2.41 116.94 115.66 2fm8 h PHE 115 Ca 0.12 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2fm8 h PHE 115 Cb 0.29 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 2fm8 h PHE 115 CO 0.02 0.67 0.64 1.03 -2.23 0.00 0.00 178.31 178.44 2fm8 h SER 116 N 0.34 1.08 -0.59 0.41 0.87 -0.72 0.12 113.55 115.06 2fm8 h SER 116 Ca 0.04 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2fm8 h SER 116 Cb 0.73 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2fm8 h SER 116 CO 0.06 0.75 0.38 0.74 -0.53 0.00 0.00 176.83 178.22 2fm8 h THR 117 N 1.26 1.11 -0.32 2.23 2.02 -0.93 -0.69 112.91 117.59 2fm8 h THR 117 Ca 0.38 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 2fm8 h THR 117 Cb -0.02 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2fm8 h THR 117 CO -0.11 0.14 0.09 0.00 0.37 0.00 0.00 175.52 176.01 2fm8 h ALA 118 N 1.23 0.42 -0.48 6.16 0.00 -1.10 -1.10 119.26 124.39 2fm8 h ALA 118 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2fm8 h ALA 118 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2fm8 h ALA 118 CO -0.07 0.07 -0.06 -0.07 0.00 0.00 0.00 179.25 179.12 2fm8 h LEU 119 N 0.36 0.89 -0.55 0.00 3.38 -0.73 -0.50 115.31 118.17 2fm8 h LEU 119 Ca 0.10 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 2fm8 h LEU 119 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2fm8 h LEU 119 CO -0.00 1.02 -0.52 0.78 0.09 0.00 0.00 178.44 179.80 2fm8 h ASN 120 N 0.74 0.61 -0.43 -0.43 2.35 -1.17 -0.78 115.58 116.48 2fm8 h ASN 120 Ca 0.13 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 2fm8 h ASN 120 Cb 0.60 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2fm8 h ASN 120 CO 0.04 1.02 0.17 1.23 -1.65 0.00 0.00 177.43 178.23 2fm8 h GLY 121 N 1.07 0.69 0.95 2.83 0.00 -1.12 -1.46 103.07 106.03 2fm8 h GLY 121 Ca 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.98 2fm8 h GLY 121 CO 0.10 0.36 0.28 -2.75 0.00 0.00 0.00 176.54 174.53 2fm8 h PHE 122 N 0.55 0.53 -0.47 5.60 3.57 -0.97 -1.80 116.94 123.95 2fm8 h PHE 122 Ca 0.14 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.75 2fm8 h PHE 122 Cb 0.20 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 2fm8 h PHE 122 CO 0.00 0.32 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.37 2fm8 h TYR 123 N 0.57 -0.25 -0.36 0.41 3.20 -0.88 0.20 116.97 119.87 2fm8 h TYR 123 Ca 0.17 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.15 2fm8 h TYR 123 Cb -0.03 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 2fm8 h TYR 123 CO -0.06 -0.20 0.03 -0.91 -1.64 0.00 0.00 178.16 175.38 2fm8 h ASN 124 N -0.00 -0.08 -0.15 -2.11 2.35 -0.81 -1.54 115.58 113.24 2fm8 h ASN 124 Ca 0.23 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2fm8 h ASN 124 Cb 0.34 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2fm8 h ASN 124 CO -0.48 -0.01 -0.28 1.88 -1.65 0.00 0.00 177.43 176.89 2fm8 h TYR 125 N 0.14 0.71 -0.60 1.19 0.05 -0.80 -2.34 116.97 115.32 2fm8 h TYR 125 Ca 0.17 -0.17 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2fm8 h TYR 125 Cb 0.22 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2fm8 h TYR 125 CO -0.22 0.84 0.30 1.25 -1.05 0.00 0.00 178.16 179.27 2fm8 h LEU 126 N 0.54 0.41 -0.22 3.88 5.85 -0.22 0.19 115.31 125.73 2fm8 h LEU 126 Ca 0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2fm8 h LEU 126 Cb 0.76 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2fm8 h LEU 126 CO 0.06 0.27 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.07 2fm8 h GLU 127 N 0.56 0.03 -0.04 1.25 5.08 -0.99 -0.96 114.58 119.51 2fm8 h GLU 127 Ca 0.27 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2fm8 h GLU 127 Cb 0.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fm8 h GLU 127 CO -0.20 0.02 -0.00 0.28 -1.00 0.00 0.00 179.01 178.11 2fm8 h VAL 128 N 0.04 1.25 -0.40 3.13 2.07 -0.96 -1.89 116.25 119.48 2fm8 h VAL 128 Ca 0.11 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2fm8 h VAL 128 Cb 0.15 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2fm8 h VAL 128 CO -0.20 0.21 0.11 -0.26 0.02 0.00 0.00 177.57 177.44 2fm8 h PHE 129 N -0.24 0.67 -0.82 1.57 0.04 -0.64 -0.74 116.94 116.78 2fm8 h PHE 129 Ca 0.01 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2fm8 h PHE 129 Cb 0.33 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 2fm8 h PHE 129 CO 0.03 0.64 0.39 0.66 -0.60 0.00 0.00 178.31 179.43 2fm8 h SER 130 N 0.51 1.08 -0.28 2.17 4.64 -1.17 -2.19 113.55 118.30 2fm8 h SER 130 Ca 0.13 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2fm8 h SER 130 Cb 0.30 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2fm8 h SER 130 CO -0.00 0.91 -0.25 0.03 -0.87 0.00 0.00 176.83 176.65 2fm8 h ARG 131 N 1.17 0.77 0.00 4.77 3.08 -1.23 -2.27 114.38 120.67 2fm8 h ARG 131 Ca 0.28 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2fm8 h ARG 131 Cb 0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2fm8 h ARG 131 CO -0.03 0.94 -0.05 0.77 -1.07 0.00 0.00 179.97 180.53 2fm8 h SER 132 N 0.67 0.00 -0.58 7.04 0.02 -0.69 -2.66 113.55 117.36 2fm8 h SER 132 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2fm8 h SER 132 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2fm8 h SER 132 CO 0.06 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.98 2fm8 n LEU 133 N -3.55 4.83 0.00 5.07 4.77 -0.87 -4.92 117.00 122.34 2fm8 n LEU 133 Ca -0.02 -2.60 0.15 0.00 -0.03 0.00 0.00 56.01 53.51 2fm8 n LEU 133 Cb 0.15 -0.58 0.90 0.00 -2.33 0.00 0.00 43.42 41.56 2fm8 n LEU 133 CO 0.27 0.75 1.06 0.80 -1.33 0.00 0.00 177.39 178.94