#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n HIS 3 N 0.00 0.00 0.00 2.89 8.25 -1.26 -4.89 115.22 120.21 3f1f n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f1f n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3f1f n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3f1f n LEU 4 N 0.00 0.00 -0.03 2.41 -0.00 -1.26 -4.75 117.00 113.37 3f1f n LEU 4 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 56.01 56.23 3f1f n LEU 4 Cb 0.00 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 43.94 3f1f n LEU 4 CO 0.00 0.00 1.20 0.11 -0.00 0.00 0.00 177.39 178.70 3f1f h LYS 5 N 0.44 0.00 0.00 1.96 6.56 -2.01 -3.34 116.57 120.17 3f1f h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3f1f h LYS 5 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3f1f h LYS 5 CO 0.00 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.26 3f1f n SER 6 N -3.29 0.00 0.00 0.86 3.41 -1.26 -5.10 113.62 108.23 3f1f n SER 6 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3f1f n SER 6 Cb 1.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3f1f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f1f n GLY 7 N 0.00 1.29 0.00 5.00 0.00 -1.26 -5.17 105.19 105.06 3f1f n GLY 7 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3f1f n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f1f n ARG 8 N -0.06 0.00 -3.77 1.61 0.63 -1.26 -5.12 116.66 108.69 3f1f n ARG 8 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 3f1f n ARG 8 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 3f1f n ARG 8 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3f1f s LYS 9 N -1.76 1.53 0.00 -0.14 -2.85 -1.26 -5.09 119.74 110.18 3f1f s LYS 9 Ca 0.00 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 3f1f s LYS 9 Cb 0.00 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3f1f s LYS 9 CO 0.00 -0.67 0.00 1.47 0.10 0.00 0.00 175.35 176.25 3f1f n LEU 10 N -0.39 0.00 0.00 2.77 -0.00 -1.26 -5.09 117.00 113.03 3f1f n LEU 10 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 3f1f n LEU 10 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 3f1f n LEU 10 CO 0.16 0.00 0.00 -3.20 -0.00 0.00 0.00 177.39 174.35 3f1f n ASN 11 N 0.00 0.00 -0.14 1.45 2.85 -1.26 -5.04 115.26 113.12 3f1f n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3f1f n ASN 11 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3f1f n ASN 11 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3f1f n ARG 12 N 0.00 0.00 -4.49 1.20 1.74 -1.26 -4.85 116.66 109.00 3f1f n ARG 12 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3f1f n ARG 12 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 3f1f n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3f1f s HIS 13 N 0.00 1.78 0.13 -1.55 -3.43 -1.26 -4.92 115.29 106.04 3f1f s HIS 13 Ca 0.00 -1.41 -0.25 0.00 -0.80 0.00 0.00 55.06 52.60 3f1f s HIS 13 Cb 0.00 -1.08 -0.06 0.00 -1.43 0.00 0.00 32.58 30.02 3f1f s HIS 13 CO 0.00 -0.45 1.44 -1.13 -2.00 0.00 0.00 174.74 172.60 3f1f n SER 14 N -1.50 -0.87 0.16 7.38 3.41 -1.26 0.89 113.62 121.84 3f1f n SER 14 Ca -0.04 1.64 -0.07 0.00 -0.26 0.00 0.00 58.87 60.13 3f1f n SER 14 Cb 0.64 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 3f1f n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3f1f h SER 15 N 0.00 -0.41 -0.54 4.04 4.64 -1.99 -2.58 113.55 116.71 3f1f h SER 15 Ca 0.13 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.62 3f1f h SER 15 Cb 0.33 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3f1f h SER 15 CO -0.77 -0.02 0.72 -0.74 -0.87 0.00 0.00 176.83 175.15 3f1f h HIS 16 N -1.03 0.00 0.10 4.77 -0.00 -1.85 0.70 115.15 117.83 3f1f h HIS 16 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.03 3f1f h HIS 16 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3f1f h HIS 16 CO 0.01 0.00 -1.53 -0.09 -0.00 0.00 0.00 177.93 176.32 3f1f h ARG 17 N 0.00 0.20 0.02 5.26 2.43 0.51 -2.54 114.38 120.27 3f1f h ARG 17 Ca 0.26 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3f1f h ARG 17 Cb 1.70 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 31.35 3f1f h ARG 17 CO -0.00 1.16 -0.14 1.25 -1.51 0.00 0.00 179.97 180.73 3f1f h LEU 18 N -0.34 -0.41 -1.89 3.80 7.12 -0.75 -2.03 115.31 120.79 3f1f h LEU 18 Ca -0.34 0.06 0.13 0.00 0.13 0.00 0.00 57.88 57.85 3f1f h LEU 18 Cb 1.74 0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 42.02 3f1f h LEU 18 CO 0.01 -0.20 0.35 0.00 -0.13 0.00 0.00 178.44 178.47 3f1f h ALA 19 N 0.68 2.32 -0.31 1.25 0.00 -1.04 0.12 119.26 122.28 3f1f h ALA 19 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3f1f h ALA 19 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3f1f h ALA 19 CO -0.13 -0.45 0.16 1.25 0.00 0.00 0.00 179.25 180.08 3f1f h LEU 20 N 0.11 0.40 -0.36 0.00 5.85 -0.92 -1.14 115.31 119.26 3f1f h LEU 20 Ca 0.24 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3f1f h LEU 20 Cb 0.79 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3f1f h LEU 20 CO -0.03 0.39 0.07 1.88 -0.34 0.00 0.00 178.44 180.41 3f1f h TYR 21 N 0.38 0.61 0.33 1.25 0.99 -0.46 -0.36 116.97 119.71 3f1f h TYR 21 Ca 0.11 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3f1f h TYR 21 Cb 0.09 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.62 3f1f h TYR 21 CO -0.02 0.62 -0.51 0.00 -0.00 0.00 0.00 178.16 178.25 3f1f h ARG 22 N 0.42 -0.85 -0.96 4.88 3.08 -1.29 0.17 114.38 119.84 3f1f h ARG 22 Ca 0.11 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.35 3f1f h ARG 22 Cb 0.33 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 3f1f h ARG 22 CO 0.00 -0.57 0.61 -0.91 -1.07 0.00 0.00 179.97 178.04 3f1f h ASN 23 N -0.88 0.82 -0.19 7.04 4.21 -1.03 0.47 115.58 126.02 3f1f h ASN 23 Ca -0.03 0.05 -0.09 0.00 1.21 0.00 0.00 56.30 57.44 3f1f h ASN 23 Cb 0.82 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.90 3f1f h ASN 23 CO -0.16 0.42 -0.22 1.56 -1.29 0.00 0.00 177.43 177.73 3f1f h GLN 24 N 0.87 0.49 -0.22 0.81 4.20 -0.71 -2.89 115.11 117.65 3f1f h GLN 24 Ca 0.48 -0.27 0.03 0.00 0.06 0.00 0.00 58.65 58.96 3f1f h GLN 24 Cb 0.60 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3f1f h GLN 24 CO -0.25 0.85 0.03 0.00 -0.67 0.00 0.00 178.83 178.79 3f1f h ALA 25 N 0.63 0.21 -0.32 3.87 0.00 0.36 0.87 119.26 124.88 3f1f h ALA 25 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3f1f h ALA 25 Cb 0.78 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 3f1f h ALA 25 CO 0.05 -0.40 -0.44 0.87 0.00 0.00 0.00 179.25 179.34 3f1f h LYS 26 N 0.11 -0.37 -0.41 0.00 1.57 -0.93 0.47 116.57 117.01 3f1f h LYS 26 Ca 0.10 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3f1f h LYS 26 Cb 0.11 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3f1f h LYS 26 CO -0.15 -0.25 0.06 0.77 -0.57 0.00 0.00 179.45 179.31 3f1f h SER 27 N -0.38 0.58 -0.35 0.86 0.02 -1.25 0.18 113.55 113.21 3f1f h SER 27 Ca 0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3f1f h SER 27 Cb 0.60 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3f1f h SER 27 CO -0.52 0.61 0.15 0.25 -1.14 0.00 0.00 176.83 176.18 3f1f h LEU 28 N 0.60 0.47 0.00 5.07 7.12 0.68 0.33 115.31 129.59 3f1f h LEU 28 Ca 0.13 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3f1f h LEU 28 Cb 0.30 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 3f1f h LEU 28 CO 0.00 0.49 0.00 0.18 -0.13 0.00 0.00 178.44 178.99 3f1f n LEU 29 N -4.71 0.00 -0.11 2.25 4.77 0.15 0.13 117.00 119.48 3f1f n LEU 29 Ca -0.01 0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 56.12 3f1f n LEU 29 Cb 0.13 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 3f1f n LEU 29 CO 0.36 -0.16 -0.75 0.41 -1.33 0.00 0.00 177.39 175.93 3f1f n THR 30 N -1.38 1.54 0.61 -5.08 -1.04 0.56 -4.70 114.28 104.79 3f1f n THR 30 Ca 0.06 -0.12 0.09 0.00 -2.04 0.00 0.00 64.05 62.04 3f1f n THR 30 Cb 0.17 -2.00 -0.12 0.00 -1.82 0.00 0.00 70.33 66.56 3f1f n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3f1f n HIS 31 N -4.37 0.00 0.00 -1.42 8.25 0.11 -4.99 115.22 112.80 3f1f n HIS 31 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3f1f n HIS 31 Cb 0.74 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.72 3f1f n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1f n GLY 32 N 1.43 1.27 3.80 -1.41 0.00 0.36 -4.85 105.19 105.79 3f1f n GLY 32 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3f1f n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 33 N 0.00 3.12 -0.14 1.61 3.00 -1.26 0.03 118.95 125.30 3f1f s ARG 33 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 55.73 55.08 3f1f s ARG 33 Cb 0.00 -2.89 0.05 0.00 0.00 0.00 0.00 34.95 32.11 3f1f s ARG 33 CO 0.00 0.65 0.50 0.42 0.00 0.00 0.00 175.30 176.87 3f1f s ILE 34 N -1.22 0.01 -0.15 1.52 -1.09 0.14 -4.89 121.20 115.52 3f1f s ILE 34 Ca 0.24 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 3f1f s ILE 34 Cb -0.12 -0.73 0.02 0.00 -1.58 0.00 0.00 42.46 40.05 3f1f s ILE 34 CO 0.15 -0.04 -0.17 0.42 -1.23 0.00 0.00 174.94 174.07 3f1f s THR 35 N -0.18 1.72 0.07 2.92 -4.23 -1.26 0.03 115.64 114.72 3f1f s THR 35 Ca -0.04 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3f1f s THR 35 Cb -0.03 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3f1f s THR 35 CO 0.02 0.48 0.09 0.35 -0.54 0.00 0.00 174.62 175.03 3f1f n THR 36 N 4.54 0.00 -2.22 3.99 -2.24 -1.05 -4.94 114.28 112.35 3f1f n THR 36 Ca -0.19 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 3f1f n THR 36 Cb 0.50 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3f1f n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f1f s THR 37 N -2.47 3.03 0.23 4.28 -4.23 -1.26 -0.63 115.64 114.60 3f1f s THR 37 Ca 0.06 0.97 -0.14 0.00 -1.18 0.00 0.00 61.69 61.41 3f1f s THR 37 Cb -0.00 -3.62 0.29 0.00 1.34 0.00 0.00 72.50 70.51 3f1f s THR 37 CO 0.05 0.20 1.47 0.52 -0.54 0.00 0.00 174.62 176.32 3f1f n VAL 38 N 1.47 -0.47 0.01 2.29 0.31 -1.13 -0.95 118.33 119.86 3f1f n VAL 38 Ca 0.02 2.21 -0.03 0.00 -0.01 0.00 0.00 64.34 66.52 3f1f n VAL 38 Cb 0.43 -2.95 -0.02 0.00 -0.91 0.00 0.00 33.84 30.39 3f1f n VAL 38 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3f1f h PRO 39 N 0.00 -0.12 -0.85 5.55 0.11 -1.91 0.18 132.00 134.96 3f1f h PRO 39 Ca 0.37 0.01 0.21 0.00 0.11 0.00 0.00 66.00 66.70 3f1f h PRO 39 Cb 0.60 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 31.61 3f1f h PRO 39 CO -0.95 -0.08 0.23 0.87 -0.21 0.00 0.00 178.00 177.86 3f1f h LYS 40 N -0.13 0.24 0.46 1.05 1.57 -1.42 0.31 116.57 118.65 3f1f h LYS 40 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3f1f h LYS 40 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3f1f h LYS 40 CO -0.06 0.16 -0.42 0.00 -0.57 0.00 0.00 179.45 178.56 3f1f h ALA 41 N 1.73 -0.95 -0.83 3.86 0.00 -0.87 0.17 119.26 122.38 3f1f h ALA 41 Ca 0.52 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.41 3f1f h ALA 41 Cb 1.00 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 3f1f h ALA 41 CO -0.61 -1.07 0.54 0.87 0.00 0.00 0.00 179.25 178.98 3f1f h LYS 42 N -0.89 0.57 0.29 0.00 1.57 0.26 0.72 116.57 119.11 3f1f h LYS 42 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3f1f h LYS 42 Cb 0.77 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3f1f h LYS 42 CO -0.04 0.38 -0.14 1.49 -0.57 0.00 0.00 179.45 180.57 3f1f h GLU 43 N 0.59 -0.38 -1.14 3.15 4.57 -0.75 -3.26 114.58 117.35 3f1f h GLU 43 Ca 0.41 0.03 0.33 0.00 -1.18 0.00 0.00 59.36 58.94 3f1f h GLU 43 Cb 0.74 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.36 3f1f h GLU 43 CO -0.16 -0.09 0.82 1.25 -1.18 0.00 0.00 179.01 179.64 3f1f h LEU 44 N -1.00 0.03 -0.66 1.64 7.12 -0.06 -2.25 115.31 120.13 3f1f h LEU 44 Ca -0.04 0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.04 3f1f h LEU 44 Cb 0.47 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 3f1f h LEU 44 CO 0.07 0.00 -0.44 -0.09 -0.13 0.00 0.00 178.44 177.85 3f1f h ARG 45 N 0.02 -0.05 0.32 1.25 2.43 -0.92 -1.88 114.38 115.55 3f1f h ARG 45 Ca 0.55 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.71 3f1f h ARG 45 Cb 2.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 3f1f h ARG 45 CO -0.02 -0.04 -0.15 0.78 -1.51 0.00 0.00 179.97 179.03 3f1f h GLY 46 N -0.06 -0.44 -0.90 2.80 0.00 -1.58 -3.00 103.07 99.90 3f1f h GLY 46 Ca 0.11 0.16 0.26 0.00 0.00 0.00 0.00 47.33 47.87 3f1f h GLY 46 CO -0.65 -0.16 0.08 0.33 0.00 0.00 0.00 176.54 176.14 3f1f n PHE 47 N -5.11 0.64 0.30 5.60 7.35 -1.15 -0.64 117.46 124.45 3f1f n PHE 47 Ca -0.09 1.08 -0.15 0.00 -0.76 0.00 0.00 57.45 57.53 3f1f n PHE 47 Cb 0.27 -1.21 -0.08 0.00 0.35 0.00 0.00 39.48 38.81 3f1f n PHE 47 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3f1f h VAL 48 N 0.00 0.28 -0.74 -2.13 2.07 -1.32 -3.21 116.25 111.20 3f1f h VAL 48 Ca 0.57 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.84 3f1f h VAL 48 Cb 1.24 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 3f1f h VAL 48 CO -0.82 0.04 -0.55 0.44 0.02 0.00 0.00 177.57 176.69 3f1f h ASP 49 N -1.04 -1.97 -1.29 0.57 3.32 -0.73 1.25 116.42 116.54 3f1f h ASP 49 Ca -0.08 0.29 0.38 0.00 0.02 0.00 0.00 57.03 57.63 3f1f h ASP 49 Cb 0.66 0.85 -0.09 0.00 0.22 0.00 0.00 39.33 40.97 3f1f h ASP 49 CO 0.13 -0.28 0.87 -0.74 -1.72 0.00 0.00 179.24 177.50 3f1f h HIS 50 N -0.15 0.36 0.48 4.55 -0.00 -1.55 0.41 115.15 119.25 3f1f h HIS 50 Ca 0.12 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 3f1f h HIS 50 Cb 0.46 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 3f1f h HIS 50 CO -0.91 -0.05 -0.23 -0.07 -0.00 0.00 0.00 177.93 176.67 3f1f h LEU 51 N 0.14 -0.54 -0.47 0.26 4.07 0.15 -1.59 115.31 117.34 3f1f h LEU 51 Ca 0.70 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.67 3f1f h LEU 51 Cb 2.33 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 44.14 3f1f h LEU 51 CO -0.23 -0.12 -0.43 0.40 -1.08 0.00 0.00 178.44 176.98 3f1f h ILE 52 N -1.10 0.00 -0.06 1.22 1.08 0.73 0.67 117.51 120.05 3f1f h ILE 52 Ca -0.07 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3f1f h ILE 52 Cb 0.55 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 3f1f h ILE 52 CO 0.11 0.00 0.12 -0.74 -0.69 0.00 0.00 178.15 176.95 3f1f h HIS 53 N -0.19 0.00 0.10 1.37 2.76 -0.41 0.45 115.15 119.24 3f1f h HIS 53 Ca 0.08 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.96 3f1f h HIS 53 Cb 0.40 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.39 3f1f h HIS 53 CO -0.81 0.00 -1.20 1.25 -1.30 0.00 0.00 177.93 175.87 3f1f h LEU 54 N 0.00 0.88 -1.33 0.26 5.85 0.08 -3.06 115.31 117.99 3f1f h LEU 54 Ca 0.03 -0.81 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 3f1f h LEU 54 Cb 0.27 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3f1f h LEU 54 CO -0.00 1.60 -0.00 0.00 -0.34 0.00 0.00 178.44 179.70 3f1f h ALA 55 N 0.30 1.00 -0.10 1.25 0.00 0.18 -1.80 119.26 120.08 3f1f h ALA 55 Ca -0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3f1f h ALA 55 Cb 1.87 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3f1f h ALA 55 CO 0.23 0.00 -0.13 -0.22 0.00 0.00 0.00 179.25 179.13 3f1f h LYS 56 N 0.00 0.16 0.00 0.00 1.63 -0.43 -3.41 116.57 114.52 3f1f h LYS 56 Ca -0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 3f1f h LYS 56 Cb 0.56 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 32.20 3f1f h LYS 56 CO 0.00 0.30 0.06 -2.13 -3.45 0.00 0.00 179.45 174.23 3f1f n ARG 57 N -4.31 -0.52 0.04 1.90 0.63 -0.68 -5.00 116.66 108.73 3f1f n ARG 57 Ca -0.01 -0.37 0.00 0.00 -0.92 0.00 0.00 57.85 56.55 3f1f n ARG 57 Cb 0.25 -0.26 0.00 0.00 0.45 0.00 0.00 32.46 32.89 3f1f n ARG 57 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1f n GLY 58 N 2.86 -0.07 3.06 5.14 0.00 -1.26 -4.99 105.19 109.93 3f1f n GLY 58 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3f1f n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f1f n ASP 59 N -3.16 -1.01 0.33 1.61 3.85 -1.26 -4.46 116.55 112.45 3f1f n ASP 59 Ca 0.00 1.02 0.19 0.00 -0.71 0.00 0.00 54.79 55.29 3f1f n ASP 59 Cb 0.17 -0.85 1.03 0.00 -1.35 0.00 0.00 41.12 40.11 3f1f n ASP 59 CO 0.00 0.00 0.00 0.17 -1.01 0.00 0.00 177.20 176.36 3f1f h LEU 60 N 1.08 0.00 0.00 -2.12 -0.00 -1.98 0.26 115.31 112.55 3f1f h LEU 60 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3f1f h LEU 60 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 3f1f h LEU 60 CO 0.52 0.00 0.00 1.57 -0.00 0.00 0.00 178.44 180.53 3f1f n HIS 61 N -3.06 0.00 0.10 0.17 -0.00 -1.26 0.12 115.22 111.29 3f1f n HIS 61 Ca -0.02 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.36 3f1f n HIS 61 Cb 0.22 -0.37 0.75 0.00 -0.12 0.00 0.00 29.99 30.48 3f1f n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3f1f h ALA 62 N -1.61 2.09 0.75 1.57 0.00 -1.30 0.26 119.26 121.02 3f1f h ALA 62 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3f1f h ALA 62 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3f1f h ALA 62 CO 0.00 -0.61 -0.36 -0.09 0.00 0.00 0.00 179.25 178.19 3f1f h ARG 63 N 0.00 -0.97 -0.81 0.00 2.43 0.23 -2.08 114.38 113.17 3f1f h ARG 63 Ca 0.18 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 3f1f h ARG 63 Cb 0.99 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 3f1f h ARG 63 CO -0.00 -0.63 0.53 0.00 -1.51 0.00 0.00 179.97 178.36 3f1f h ARG 64 N -1.12 0.80 -0.46 0.20 3.08 0.42 0.19 114.38 117.50 3f1f h ARG 64 Ca -0.10 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3f1f h ARG 64 Cb 0.79 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3f1f h ARG 64 CO 0.17 0.53 0.27 -0.07 -1.07 0.00 0.00 179.97 179.80 3f1f h LEU 65 N 0.83 0.43 -1.17 3.04 3.38 -0.76 0.18 115.31 121.24 3f1f h LEU 65 Ca 0.36 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 3f1f h LEU 65 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3f1f h LEU 65 CO -0.14 0.31 -0.38 0.58 0.09 0.00 0.00 178.44 178.91 3f1f h VAL 66 N 0.54 1.08 0.00 1.22 2.07 -0.56 -2.57 116.25 118.02 3f1f h VAL 66 Ca 0.19 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3f1f h VAL 66 Cb 0.02 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3f1f h VAL 66 CO -0.09 0.37 0.00 0.25 0.02 0.00 0.00 177.57 178.12 3f1f h LEU 67 N 0.00 0.00 0.11 2.57 7.12 0.23 -2.36 115.31 122.98 3f1f h LEU 67 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3f1f h LEU 67 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 3f1f h LEU 67 CO 0.05 0.00 -0.05 0.03 -0.13 0.00 0.00 178.44 178.33 3f1f h ARG 68 N 0.00 -0.15 0.33 1.25 3.08 -0.80 -3.38 114.38 114.71 3f1f h ARG 68 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3f1f h ARG 68 Cb 0.16 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3f1f h ARG 68 CO 0.00 0.33 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.63 3f1f h ASP 69 N -0.88 -0.38 -4.32 7.04 5.19 -1.62 -3.43 116.42 118.03 3f1f h ASP 69 Ca -0.02 0.01 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 3f1f h ASP 69 Cb 0.55 0.10 0.11 0.00 0.18 0.00 0.00 39.33 40.26 3f1f h ASP 69 CO 0.03 0.06 0.35 -0.76 -3.12 0.00 0.00 179.24 175.80 3f1f s LEU 70 N -8.96 3.05 0.00 1.55 1.43 -0.91 -4.85 118.68 109.98 3f1f s LEU 70 Ca -0.06 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 3f1f s LEU 70 Cb 0.01 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3f1f s LEU 70 CO 0.19 -1.72 0.00 1.67 0.23 0.00 0.00 176.35 176.72 3f1f n GLN 71 N -3.31 3.27 -2.53 1.70 -0.06 -1.26 -4.36 117.38 110.83 3f1f n GLN 71 Ca 0.08 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.65 3f1f n GLN 71 Cb 0.53 -0.70 -0.02 0.00 -4.06 0.00 0.00 30.24 26.00 3f1f n GLN 71 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3f1f s ASP 72 N -0.88 6.83 0.09 1.69 3.68 -1.26 -4.91 116.67 121.90 3f1f s ASP 72 Ca 0.00 1.19 -0.26 0.00 2.13 0.00 0.00 52.55 55.61 3f1f s ASP 72 Cb 0.00 -2.54 -0.14 0.00 -1.45 0.00 0.00 42.92 38.78 3f1f s ASP 72 CO 0.00 -0.95 1.69 0.58 0.13 0.00 0.00 175.17 176.62 3f1f h VAL 73 N 5.80 0.72 -1.06 1.11 2.07 -1.98 0.17 116.25 123.07 3f1f h VAL 73 Ca -0.23 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.57 3f1f h VAL 73 Cb 1.08 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3f1f h VAL 73 CO 1.03 0.00 0.71 0.11 0.02 0.00 0.00 177.57 179.44 3f1f h LYS 74 N -0.33 0.24 -0.02 1.57 1.57 -2.01 -0.31 116.57 117.28 3f1f h LYS 74 Ca -0.02 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3f1f h LYS 74 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3f1f h LYS 74 CO 0.01 0.16 -0.80 1.25 -0.57 0.00 0.00 179.45 179.50 3f1f h LEU 75 N 0.24 0.26 -0.68 2.94 7.12 -1.39 -3.06 115.31 120.74 3f1f h LEU 75 Ca 0.57 -0.19 -0.14 0.00 0.13 0.00 0.00 57.88 58.24 3f1f h LEU 75 Cb 1.73 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 3f1f h LEU 75 CO -0.18 0.96 -0.59 -0.37 -0.13 0.00 0.00 178.44 178.12 3f1f h VAL 76 N 0.13 1.39 0.66 1.05 -1.51 -0.08 -2.70 116.25 115.18 3f1f h VAL 76 Ca -0.03 -1.97 -0.03 0.00 -1.23 0.00 0.00 66.70 63.44 3f1f h VAL 76 Cb 1.40 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 3f1f h VAL 76 CO 0.12 0.58 -0.34 0.03 -1.23 0.00 0.00 177.57 176.73 3f1f h ARG 77 N 0.16 -0.89 -1.18 5.19 3.08 -1.40 0.23 114.38 119.57 3f1f h ARG 77 Ca -0.00 0.06 0.40 0.00 0.07 0.00 0.00 59.98 60.51 3f1f h ARG 77 Cb 1.09 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 31.20 3f1f h ARG 77 CO 0.09 -0.59 0.72 -0.22 -1.07 0.00 0.00 179.97 178.90 3f1f h LYS 78 N -0.92 0.12 -0.12 0.04 3.64 -1.43 0.95 116.57 118.86 3f1f h LYS 78 Ca -0.09 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3f1f h LYS 78 Cb 0.72 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3f1f h LYS 78 CO 0.12 0.08 -0.29 1.25 -2.27 0.00 0.00 179.45 178.35 3f1f h LEU 79 N 0.13 0.46 0.25 5.20 6.46 -0.89 -1.41 115.31 125.50 3f1f h LEU 79 Ca 0.80 -0.58 -0.33 0.00 -0.12 0.00 0.00 57.88 57.65 3f1f h LEU 79 Cb 2.29 -0.13 0.04 0.00 -0.73 0.00 0.00 40.66 42.12 3f1f h LEU 79 CO -0.52 0.96 -1.47 -0.26 -0.62 0.00 0.00 178.44 176.53 3f1f h PHE 80 N -0.02 0.97 -1.21 1.25 0.04 0.13 0.58 116.94 118.68 3f1f h PHE 80 Ca -0.00 -0.71 -0.68 0.00 2.80 0.00 0.00 57.97 59.38 3f1f h PHE 80 Cb 0.90 -0.04 -0.31 0.00 2.20 0.00 0.00 35.95 38.70 3f1f h PHE 80 CO 0.11 1.56 0.65 -0.25 -0.60 0.00 0.00 178.31 179.78 3f1f n ASP 81 N -3.74 7.23 0.00 2.17 10.43 0.30 -4.05 116.55 128.89 3f1f n ASP 81 Ca -0.17 -3.79 0.00 0.00 2.57 0.00 0.00 54.79 53.40 3f1f n ASP 81 Cb 1.10 -0.90 0.00 0.00 1.84 0.00 0.00 41.12 43.15 3f1f n ASP 81 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3f1f n GLU 82 N -0.80 0.00 -0.04 -1.24 2.13 -1.13 -4.80 120.64 114.77 3f1f n GLU 82 Ca 0.58 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.39 3f1f n GLU 82 Cb 0.60 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.31 3f1f n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3f1f h ILE 83 N 0.00 0.00 -0.57 6.31 1.08 -1.10 -3.25 117.51 119.98 3f1f h ILE 83 Ca 0.00 -0.71 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 3f1f h ILE 83 Cb 0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.64 3f1f h ILE 83 CO 0.00 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.31 3f1f h ALA 84 N -1.29 0.35 -0.39 1.87 0.00 -0.03 -1.27 119.26 118.50 3f1f h ALA 84 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3f1f h ALA 84 Cb 0.06 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3f1f h ALA 84 CO 0.00 -0.45 -0.32 -1.35 0.00 0.00 0.00 179.25 177.13 3f1f h PRO 85 N -0.01 -0.25 -0.97 0.00 0.11 -1.74 -1.24 132.00 127.90 3f1f h PRO 85 Ca 0.27 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.60 3f1f h PRO 85 Cb 0.43 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.51 3f1f h PRO 85 CO -0.60 -0.16 0.62 0.00 -0.21 0.00 0.00 178.00 177.65 3f1f h ARG 86 N -0.26 0.58 -0.18 1.05 3.08 -1.26 -1.55 114.38 115.84 3f1f h ARG 86 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3f1f h ARG 86 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3f1f h ARG 86 CO -0.53 0.38 0.00 0.66 -1.07 0.00 0.00 179.97 179.41 3f1f n TYR 87 N -4.64 0.23 -1.63 3.04 4.01 -0.51 -4.92 117.16 112.73 3f1f n TYR 87 Ca 0.22 -0.11 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 3f1f n TYR 87 Cb 0.65 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.73 3f1f n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3f1f n ARG 88 N 0.74 1.00 -3.08 -0.72 3.00 -0.59 -2.64 116.66 114.37 3f1f n ARG 88 Ca 0.17 0.38 -0.15 0.00 -0.00 0.00 0.00 57.85 58.25 3f1f n ARG 88 Cb 0.44 -2.22 0.04 0.00 0.00 0.00 0.00 32.46 30.73 3f1f n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3f1f n ASP 89 N -0.79 -4.76 -3.40 6.15 9.92 -1.26 -5.00 116.55 117.41 3f1f n ASP 89 Ca 0.13 -0.30 -0.04 0.00 -0.53 0.00 0.00 54.79 54.05 3f1f n ASP 89 Cb 0.47 -3.42 -0.06 0.00 -0.64 0.00 0.00 41.12 37.47 3f1f n ASP 89 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3f1f s ARG 90 N -5.70 0.45 -0.70 -1.24 3.52 -1.08 -5.12 118.95 109.07 3f1f s ARG 90 Ca 0.33 0.93 -0.23 0.00 -0.13 0.00 0.00 55.73 56.63 3f1f s ARG 90 Cb -0.15 0.22 0.06 0.00 -1.56 0.00 0.00 34.95 33.53 3f1f s ARG 90 CO 0.41 -0.48 1.06 -0.65 -0.81 0.00 0.00 175.30 174.83 3f1f s GLN 91 N 2.71 3.17 2.05 5.12 -0.21 -1.26 -4.89 119.66 126.34 3f1f s GLN 91 Ca 0.09 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.73 3f1f s GLN 91 Cb -0.14 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.58 3f1f s GLN 91 CO -0.17 -1.91 0.00 0.41 -2.12 0.00 0.00 175.29 171.50 3f1f n GLY 92 N 5.40 -0.82 2.39 3.09 0.00 -1.26 -4.94 105.19 109.05 3f1f n GLY 92 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 3f1f n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1f n GLY 93 N 0.00 0.24 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.32 3f1f n GLY 93 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3f1f n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1f n TYR 94 N -3.58 0.00 -3.96 1.61 4.02 -1.26 -4.69 117.16 109.30 3f1f n TYR 94 Ca -0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.52 3f1f n TYR 94 Cb 0.64 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.80 3f1f n TYR 94 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3f1f s THR 95 N -2.00 0.21 0.16 -0.72 2.01 -1.26 -1.18 115.64 112.85 3f1f s THR 95 Ca 0.14 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.28 3f1f s THR 95 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 3f1f s THR 95 CO 0.11 0.14 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.40 3f1f s ARG 96 N 0.84 1.77 -0.32 4.92 3.52 -0.74 -4.88 118.95 124.06 3f1f s ARG 96 Ca -0.09 -1.30 -0.02 0.00 -0.13 0.00 0.00 55.73 54.19 3f1f s ARG 96 Cb -0.12 -2.05 0.12 0.00 -1.56 0.00 0.00 34.95 31.34 3f1f s ARG 96 CO -0.01 0.44 0.17 0.14 -0.81 0.00 0.00 175.30 175.24 3f1f s VAL 97 N -1.43 0.01 0.02 7.11 -7.23 -1.25 -2.04 120.40 115.59 3f1f s VAL 97 Ca 0.20 -1.19 -0.20 0.00 -1.81 0.00 0.00 61.98 58.98 3f1f s VAL 97 Cb -0.09 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 3f1f s VAL 97 CO 0.11 -0.84 0.60 -0.76 -0.31 0.00 0.00 175.10 173.90 3f1f s LEU 98 N 1.62 4.45 -0.15 1.32 1.43 -0.07 -4.85 118.68 122.45 3f1f s LEU 98 Ca 0.13 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 3f1f s LEU 98 Cb -0.19 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 3f1f s LEU 98 CO -0.19 0.15 1.14 -0.54 0.23 0.00 0.00 176.35 177.14 3f1f s LYS 99 N -0.45 4.30 0.43 1.70 -0.14 -1.26 0.12 119.74 124.44 3f1f s LYS 99 Ca 0.31 1.54 -0.24 0.00 -1.36 0.00 0.00 55.97 56.22 3f1f s LYS 99 Cb -0.19 -3.64 -0.08 0.00 -1.68 0.00 0.00 37.83 32.24 3f1f s LYS 99 CO 0.18 -0.55 1.14 -0.51 -0.76 0.00 0.00 175.35 174.85 3f1f s LEU 100 N 2.84 4.10 -0.08 3.17 2.01 -1.02 -4.87 118.68 124.83 3f1f s LEU 100 Ca 0.51 2.25 0.10 0.00 0.01 0.00 0.00 54.13 57.00 3f1f s LEU 100 Cb -0.20 -4.16 0.42 0.00 0.01 0.00 0.00 46.19 42.26 3f1f s LEU 100 CO 0.15 -0.74 1.24 0.00 1.01 0.00 0.00 176.35 178.01 3f1f n ALA 101 N -0.21 2.93 -3.49 4.21 0.00 -1.26 -4.66 120.51 118.02 3f1f n ALA 101 Ca 0.06 -0.92 -0.20 0.00 0.00 0.00 0.00 53.44 52.37 3f1f n ALA 101 Cb 0.48 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.74 3f1f n ALA 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3f1f s GLU 102 N -1.76 0.97 -0.06 0.00 2.12 -1.26 -5.10 118.70 113.61 3f1f s GLU 102 Ca 0.29 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 3f1f s GLU 102 Cb 0.19 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.62 3f1f s GLU 102 CO 0.13 -0.03 0.46 1.03 -0.54 0.00 0.00 175.26 176.31 3f1f s ARG 103 N 0.73 4.20 0.33 4.30 0.52 -1.26 -3.35 118.95 124.41 3f1f s ARG 103 Ca -0.11 0.46 -0.27 0.00 -0.52 0.00 0.00 55.73 55.29 3f1f s ARG 103 Cb -0.14 -3.35 -0.13 0.00 0.52 0.00 0.00 34.95 31.86 3f1f s ARG 103 CO 0.01 0.37 1.10 -2.13 0.02 0.00 0.00 175.30 174.67 3f1f n ARG 104 N 2.91 1.61 -3.47 3.54 3.00 0.13 -4.87 116.66 119.50 3f1f n ARG 104 Ca -0.10 0.57 -0.32 0.00 -0.00 0.00 0.00 57.85 58.00 3f1f n ARG 104 Cb 0.52 -2.04 -0.05 0.00 0.00 0.00 0.00 32.46 30.88 3f1f n ARG 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3f1f s ARG 105 N -1.74 3.76 -0.95 -0.14 3.52 -1.26 -2.43 118.95 119.70 3f1f s ARG 105 Ca 0.58 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 3f1f s ARG 105 Cb -0.63 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 3f1f s ARG 105 CO 0.60 0.35 0.00 0.41 -0.81 0.00 0.00 175.30 175.85 3f1f n GLY 106 N -0.10 0.47 0.00 8.12 0.00 -1.26 -4.57 105.19 107.85 3f1f n GLY 106 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3f1f n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f1f n ASP 107 N 0.21 0.00 -1.51 1.61 3.85 -1.26 -5.01 116.55 114.44 3f1f n ASP 107 Ca -0.11 -0.18 -0.20 0.00 -0.71 0.00 0.00 54.79 53.59 3f1f n ASP 107 Cb 0.48 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.16 3f1f n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3f1f n GLY 108 N 0.00 1.88 3.72 6.12 0.00 -1.02 -4.92 105.19 110.96 3f1f n GLY 108 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3f1f n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f s ALA 109 N -2.69 3.40 -0.15 4.61 0.00 -1.23 -4.72 121.76 120.98 3f1f s ALA 109 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3f1f s ALA 109 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3f1f s ALA 109 CO 0.00 -0.42 1.26 -1.25 0.00 0.00 0.00 175.76 175.35 3f1f s PRO 110 N 0.87 4.24 0.67 0.00 0.04 -1.26 0.18 135.00 139.74 3f1f s PRO 110 Ca 0.58 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3f1f s PRO 110 Cb -0.30 -3.75 0.10 0.00 0.04 0.00 0.00 34.50 30.60 3f1f s PRO 110 CO 0.30 -0.68 0.93 -0.51 0.04 0.00 0.00 177.00 177.08 3f1f s LEU 111 N 3.37 3.05 0.24 -3.56 1.43 -1.21 -2.85 118.68 119.15 3f1f s LEU 111 Ca 0.55 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.14 3f1f s LEU 111 Cb -0.22 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 43.88 3f1f s LEU 111 CO 0.16 -1.65 0.93 0.00 0.23 0.00 0.00 176.35 176.01 3f1f s ALA 112 N -3.02 -1.35 -0.19 4.21 0.00 0.20 -2.44 121.76 119.17 3f1f s ALA 112 Ca 0.64 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3f1f s ALA 112 Cb -0.07 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.81 3f1f s ALA 112 CO 0.43 -1.04 -0.09 -1.17 0.00 0.00 0.00 175.76 173.89 3f1f s LEU 113 N -3.18 2.09 -0.11 0.00 2.96 0.33 -2.53 118.68 118.24 3f1f s LEU 113 Ca 0.17 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 53.15 3f1f s LEU 113 Cb -0.03 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 3f1f s LEU 113 CO 0.06 -0.15 0.25 -0.69 -1.32 0.00 0.00 176.35 174.51 3f1f s VAL 114 N 1.46 5.31 -0.17 1.68 1.01 0.10 -0.89 120.40 128.91 3f1f s VAL 114 Ca -0.00 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 3f1f s VAL 114 Cb -0.16 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3f1f s VAL 114 CO -0.08 0.53 0.43 -0.70 0.00 0.00 0.00 175.10 175.28 3f1f s GLU 115 N -0.49 0.45 -0.18 2.72 2.12 -0.86 0.23 118.70 122.68 3f1f s GLU 115 Ca 0.17 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 3f1f s GLU 115 Cb -0.13 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 3f1f s GLU 115 CO 0.06 -0.12 1.85 -0.51 -0.54 0.00 0.00 175.26 176.00 3f1f s LEU 116 N 0.99 3.84 0.82 2.70 1.43 0.10 -1.79 118.68 126.77 3f1f s LEU 116 Ca -0.06 1.85 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 3f1f s LEU 116 Cb -0.06 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.69 3f1f s LEU 116 CO -0.08 -1.44 0.92 0.55 0.23 0.00 0.00 176.35 176.53 3f1f n VAL 117 N 6.69 1.52 -0.62 -1.59 3.14 -0.33 -4.94 118.33 122.20 3f1f n VAL 117 Ca 0.22 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3f1f n VAL 117 Cb 0.45 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 3f1f n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58