#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilf s PRO 2 N 0.00 3.06 -0.19 0.03 0.04 -1.26 -5.01 135.00 131.68 1ilf s PRO 2 Ca 0.00 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 1ilf s PRO 2 Cb 0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1ilf s PRO 2 CO 0.00 -1.04 -0.25 0.54 0.04 0.00 0.00 177.00 176.30 1ilf n ARG 3 N -2.15 0.40 -2.46 4.56 1.74 -1.26 -4.99 116.66 112.50 1ilf n ARG 3 Ca 0.10 0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.94 1ilf n ARG 3 Cb 0.52 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.75 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1ilf s VAL 4 N -2.36 3.84 0.31 1.55 -7.23 -1.26 -3.99 120.40 111.26 1ilf s VAL 4 Ca -0.26 1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 61.30 1ilf s VAL 4 Cb 0.10 -3.97 -0.08 0.00 0.56 0.00 0.00 36.38 32.99 1ilf s VAL 4 CO 0.33 0.23 0.68 0.68 -0.31 0.00 0.00 175.10 176.71 1ilf s VAL 5 N 0.08 4.79 0.19 1.32 -7.23 -0.84 -4.95 120.40 113.76 1ilf s VAL 5 Ca 0.52 0.70 0.03 0.00 -1.81 0.00 0.00 61.98 61.42 1ilf s VAL 5 Cb -0.30 -3.64 0.25 0.00 0.56 0.00 0.00 36.38 33.25 1ilf s VAL 5 CO 0.34 -0.22 0.94 -2.65 -0.31 0.00 0.00 175.10 173.21 1ilf n PRO 6 N -0.49 -0.05 -3.66 4.82 -0.02 -1.26 -2.43 135.00 131.92 1ilf n PRO 6 Ca 0.02 0.89 -0.29 0.00 -2.02 0.00 0.00 63.50 62.10 1ilf n PRO 6 Cb 0.53 -1.43 -0.13 0.00 -0.02 0.00 0.00 33.50 32.45 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ilf s ASP 7 N -4.96 3.46 0.18 2.55 1.11 -1.26 -4.97 116.67 112.78 1ilf s ASP 7 Ca -0.07 -2.58 -0.14 0.00 0.18 0.00 0.00 52.55 49.94 1ilf s ASP 7 Cb 0.18 -0.90 0.08 0.00 1.07 0.00 0.00 42.92 43.34 1ilf s ASP 7 CO 0.47 -0.27 1.83 1.56 1.18 0.00 0.00 175.17 179.94 1ilf h GLN 8 N 6.71 0.74 0.00 8.23 7.50 -1.76 0.33 115.11 136.87 1ilf h GLN 8 Ca 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1ilf h GLN 8 Cb 0.93 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.29 1ilf h GLN 8 CO 0.44 0.51 -0.11 0.07 -1.50 0.00 0.00 178.83 178.24 1ilf h ARG 9 N 0.76 0.00 -0.70 1.46 0.11 -1.93 0.46 114.38 114.53 1ilf h ARG 9 Ca 0.20 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.21 1ilf h ARG 9 Cb -0.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 30.99 1ilf h ARG 9 CO -0.04 0.11 0.15 0.77 0.10 0.00 0.00 179.97 181.06 1ilf h SER 10 N 0.00 1.07 0.35 0.08 0.02 -1.34 0.47 113.55 114.20 1ilf h SER 10 Ca -0.00 -0.24 -0.32 0.00 -0.84 0.00 0.00 61.79 60.39 1ilf h SER 10 Cb 0.33 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ilf h SER 10 CO 0.01 1.04 -1.60 0.11 -1.14 0.00 0.00 176.83 175.25 1ilf h LYS 11 N 1.07 0.32 0.00 3.45 1.79 -1.09 0.31 116.57 122.42 1ilf h LYS 11 Ca 0.22 -0.55 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 1ilf h LYS 11 Cb 0.39 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1ilf h LYS 11 CO 0.01 1.21 -0.05 0.35 -1.08 0.00 0.00 179.45 179.89 1ilf h PHE 12 N 0.09 0.00 0.00 -1.35 3.04 -0.86 0.44 116.94 118.29 1ilf h PHE 12 Ca -0.28 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.33 1ilf h PHE 12 Cb 2.06 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.50 1ilf h PHE 12 CO 0.08 0.05 -2.34 -0.85 -2.02 0.00 0.00 178.31 173.23 1ilf n GLU 13 N -3.18 0.77 -0.09 1.11 -0.00 0.16 -4.39 120.64 115.02 1ilf n GLU 13 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.16 57.06 1ilf n GLU 13 Cb 0.31 -1.51 -0.16 0.00 -0.00 0.00 0.00 31.44 30.08 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ilf n ASN 14 N -2.71 0.02 -4.75 -1.84 5.15 0.11 -4.91 115.26 106.33 1ilf n ASN 14 Ca -0.31 0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.27 1ilf n ASN 14 Cb 1.12 1.02 -0.02 0.00 -0.53 0.00 0.00 39.78 41.38 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ilf s GLU 15 N -2.54 4.21 0.00 1.20 0.41 0.15 -4.90 118.70 117.23 1ilf s GLU 15 Ca -0.10 2.41 -0.03 0.00 -0.41 0.00 0.00 54.97 56.84 1ilf s GLU 15 Cb 0.06 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.34 1ilf s GLU 15 CO 0.83 -0.47 0.72 1.05 -0.49 0.00 0.00 175.26 176.91 1ilf h GLU 16 N 4.49 -0.11 -1.00 1.61 4.11 -1.93 0.49 114.58 122.24 1ilf h GLU 16 Ca -0.47 0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.06 1ilf h GLU 16 Cb 1.22 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1ilf h GLU 16 CO 0.75 -0.07 0.63 0.35 0.07 0.00 0.00 179.01 180.74 1ilf h PHE 17 N -0.15 1.16 0.00 2.06 3.04 -1.97 0.82 116.94 121.91 1ilf h PHE 17 Ca -0.01 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1ilf h PHE 17 Cb 0.09 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.22 1ilf h PHE 17 CO 0.14 0.53 -0.14 0.35 -2.02 0.00 0.00 178.31 177.17 1ilf h PHE 18 N 1.07 0.00 0.00 0.41 3.04 -1.89 0.21 116.94 119.78 1ilf h PHE 18 Ca 0.47 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.42 1ilf h PHE 18 Cb 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1ilf h PHE 18 CO -0.00 0.14 -0.15 0.00 -2.02 0.00 0.00 178.31 176.27 1ilf h ARG 19 N 0.00 0.00 -0.87 1.11 2.47 0.54 0.51 114.38 118.14 1ilf h ARG 19 Ca -0.00 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 58.97 1ilf h ARG 19 Cb 0.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 1ilf h ARG 19 CO 0.02 0.00 0.69 1.57 0.56 0.00 0.00 179.97 182.81 1ilf h LYS 20 N -0.74 0.00 0.07 0.04 2.10 0.27 1.05 116.57 119.36 1ilf h LYS 20 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1ilf h LYS 20 Cb 0.15 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1ilf h LYS 20 CO 0.00 0.00 -1.78 -0.07 -2.00 0.00 0.00 179.45 175.60 1ilf h LEU 21 N 0.00 0.25 -1.55 7.07 3.38 -0.70 -3.30 115.31 120.47 1ilf h LEU 21 Ca 0.41 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ilf h LEU 21 Cb 1.79 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ilf h LEU 21 CO -0.00 1.43 0.29 -1.28 0.09 0.00 0.00 178.44 178.97 1ilf h SER 22 N 0.04 0.00 -3.17 -0.43 0.87 0.63 -2.06 113.55 109.43 1ilf h SER 22 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1ilf h SER 22 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1ilf h SER 22 CO 0.10 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.94 1ilf n ARG 23 N -2.52 1.59 -4.49 2.24 5.12 -0.50 -3.75 116.66 114.34 1ilf n ARG 23 Ca -0.02 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 1ilf n ARG 23 Cb 0.32 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.49 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -0.41 3.49 0.02 5.56 2.02 -1.26 -2.05 118.70 126.07 1ilf s GLU 24 Ca 0.00 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.23 1ilf s GLU 24 Cb 0.00 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.45 1ilf s GLU 24 CO 0.00 0.15 0.33 0.00 0.02 0.00 0.00 175.26 175.76 1ilf n GLU 26 N 0.84 0.65 -4.18 0.00 1.02 -1.26 -1.75 120.64 115.95 1ilf n GLU 26 Ca -0.20 0.23 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 1ilf n GLU 26 Cb 0.58 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ilf s ILE 27 N -1.20 0.76 0.03 -3.67 -4.36 0.14 -1.59 121.20 111.30 1ilf s ILE 27 Ca 0.62 -1.96 -0.08 0.00 -0.26 0.00 0.00 60.65 58.97 1ilf s ILE 27 Cb -0.73 -1.73 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1ilf s ILE 27 CO 0.58 -0.83 0.16 -1.59 0.24 0.00 0.00 174.94 173.50 1ilf s LYS 28 N -3.83 0.63 0.14 0.37 -2.85 -0.80 0.25 119.74 113.66 1ilf s LYS 28 Ca 0.13 -0.60 -0.28 0.00 -1.00 0.00 0.00 55.97 54.22 1ilf s LYS 28 Cb 0.05 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 1ilf s LYS 28 CO -0.04 -0.17 0.89 -0.47 0.10 0.00 0.00 175.35 175.66 1ilf s TYR 29 N -2.31 3.86 0.00 1.78 5.04 -0.90 0.51 117.35 125.34 1ilf s TYR 29 Ca -0.07 1.74 0.02 0.00 -2.44 0.00 0.00 57.07 56.32 1ilf s TYR 29 Cb -0.02 -2.94 0.03 0.00 0.35 0.00 0.00 41.96 39.38 1ilf s TYR 29 CO -0.03 0.34 0.89 0.25 -1.34 0.00 0.00 175.55 175.67 1ilf n THR 30 N 2.22 0.00 0.00 4.34 -2.24 -1.26 -4.82 114.28 112.52 1ilf n THR 30 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ilf n THR 30 Cb 0.49 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 31 N 0.04 0.17 0.09 3.38 0.00 -1.22 -4.64 105.19 103.01 1ilf n GLY 31 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 1ilf n GLY 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ilf n PHE 32 N -1.19 0.00 0.95 1.61 1.16 -1.26 -4.63 117.46 114.11 1ilf n PHE 32 Ca 0.00 -0.95 0.12 0.00 -1.87 0.00 0.00 57.45 54.75 1ilf n PHE 32 Cb 0.00 -0.14 0.28 0.00 -1.61 0.00 0.00 39.48 38.01 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 1ilf n ARG 33 N -1.36 0.03 0.00 3.97 -4.01 -1.26 -4.15 116.66 109.88 1ilf n ARG 33 Ca 0.15 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 1ilf n ARG 33 Cb 0.64 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 28.54 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1ilf n ASP 34 N -1.57 0.00 0.08 2.89 9.92 -1.26 -1.95 116.55 124.66 1ilf n ASP 34 Ca 0.05 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1ilf n ASP 34 Cb 0.35 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ilf n ARG 35 N -1.14 0.00 -1.76 -1.24 3.00 -1.26 -4.91 116.66 109.35 1ilf n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.46 1ilf n ARG 35 Cb 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 32.46 32.53 1ilf n ARG 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ilf n PRO 36 N -3.20 2.76 -0.33 5.56 -0.04 -1.23 -4.83 135.00 133.69 1ilf n PRO 36 Ca 0.00 -3.48 -0.11 0.00 -0.04 0.00 0.00 63.50 59.87 1ilf n PRO 36 Cb 0.00 -2.28 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 1ilf n PRO 36 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ilf h HIS 37 N 2.69 -1.76 -0.26 0.54 2.76 -1.66 1.79 115.15 119.25 1ilf h HIS 37 Ca 0.57 0.11 0.08 0.00 -2.20 0.00 0.00 60.37 58.93 1ilf h HIS 37 Cb 0.29 0.87 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1ilf h HIS 37 CO 1.25 -0.38 0.34 1.05 -1.30 0.00 0.00 177.93 178.88 1ilf h GLU 38 N -0.10 0.00 0.18 5.26 4.11 -1.88 0.29 114.58 122.44 1ilf h GLU 38 Ca 0.13 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.21 1ilf h GLU 38 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ilf h GLU 38 CO -0.81 0.00 -1.77 1.49 0.07 0.00 0.00 179.01 177.99 1ilf h GLU 39 N 0.00 0.38 -0.31 1.06 4.81 0.57 -3.27 114.58 117.82 1ilf h GLU 39 Ca 0.12 -0.66 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 1ilf h GLU 39 Cb 0.80 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1ilf h GLU 39 CO -0.00 1.31 0.41 -0.09 -0.73 0.00 0.00 179.01 179.92 1ilf h ARG 40 N 0.09 0.00 -0.93 1.92 1.12 0.59 0.36 114.38 117.53 1ilf h ARG 40 Ca -0.35 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.59 1ilf h ARG 40 Cb 2.09 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.98 1ilf h ARG 40 CO 0.17 0.00 0.59 -0.56 -3.11 0.00 0.00 179.97 177.05 1ilf h GLN 41 N 0.00 1.02 0.04 0.20 -0.00 -1.32 1.23 115.11 116.28 1ilf h GLN 41 Ca 0.15 -0.06 -0.27 0.00 -0.00 0.00 0.00 58.65 58.46 1ilf h GLN 41 Cb 0.97 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.48 28.19 1ilf h GLN 41 CO -0.00 0.68 -1.44 1.15 -0.00 0.00 0.00 178.83 179.21 1ilf h THR 42 N 1.05 1.20 0.00 1.86 2.02 -0.59 -2.54 112.91 115.91 1ilf h THR 42 Ca 0.41 -2.94 -0.04 0.00 0.77 0.00 0.00 66.41 64.61 1ilf h THR 42 Cb 0.20 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1ilf h THR 42 CO -0.18 0.76 -0.19 0.03 0.37 0.00 0.00 175.52 176.30 1ilf h ARG 43 N 0.02 0.00 0.03 6.66 2.47 0.11 0.48 114.38 124.15 1ilf h ARG 43 Ca -0.19 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1ilf h ARG 43 Cb 1.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 1ilf h ARG 43 CO 0.12 0.19 -0.01 0.35 0.56 0.00 0.00 179.97 181.18 1ilf h PHE 44 N 0.00 -0.04 -0.43 3.04 3.57 0.14 0.90 116.94 124.12 1ilf h PHE 44 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1ilf h PHE 44 Cb 0.36 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1ilf h PHE 44 CO 0.00 0.54 0.30 0.37 -2.23 0.00 0.00 178.31 177.29 1ilf h GLN 45 N -0.96 0.18 0.00 1.11 -0.00 -1.24 0.37 115.11 114.57 1ilf h GLN 45 Ca -0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 58.65 58.45 1ilf h GLN 45 Cb 0.60 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 1ilf h GLN 45 CO 0.01 0.12 -0.97 -0.91 0.00 0.00 0.00 178.83 177.08 1ilf h ASN 46 N 0.19 0.00 0.28 -0.69 2.35 -0.09 -3.14 115.58 114.48 1ilf h ASN 46 Ca 0.20 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 1ilf h ASN 46 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ilf h ASN 46 CO -0.03 0.81 -0.37 0.00 -1.65 0.00 0.00 177.43 176.19 1ilf h ALA 47 N 1.19 1.27 0.00 -0.83 0.00 0.22 0.13 119.26 121.25 1ilf h ALA 47 Ca -0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ilf h ALA 47 Cb 1.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ilf h ALA 47 CO 0.10 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1ilf h ARG 49 N 0.00 0.00 -0.30 0.00 0.11 -1.04 -2.96 114.38 110.19 1ilf h ARG 49 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ilf h ARG 49 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1ilf h ARG 49 CO 0.00 0.59 0.00 -0.25 0.10 0.00 0.00 179.97 180.41 1ilf n ASP 50 N -3.41 2.98 -2.66 0.08 8.00 0.60 -4.59 116.55 117.55 1ilf n ASP 50 Ca 0.00 -1.93 -0.22 0.00 0.71 0.00 0.00 54.79 53.36 1ilf n ASP 50 Cb 0.70 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1ilf n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ilf n GLY 51 N 1.40 -0.51 3.21 0.44 0.00 -0.38 -4.93 105.19 104.43 1ilf n GLY 51 Ca 0.18 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1ilf n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ilf s ARG 52 N -5.32 0.33 0.16 1.61 0.52 -0.92 0.48 118.95 115.81 1ilf s ARG 52 Ca 0.13 0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 56.04 1ilf s ARG 52 Cb -0.06 -0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 1ilf s ARG 52 CO 0.16 -0.18 0.21 0.45 0.02 0.00 0.00 175.30 175.95 1ilf s SER 53 N 1.58 0.13 -0.27 0.23 0.15 -0.89 -4.39 113.70 110.23 1ilf s SER 53 Ca -0.08 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1ilf s SER 53 Cb -0.09 0.39 0.08 0.00 -1.71 0.00 0.00 66.02 64.69 1ilf s SER 53 CO -0.12 -0.85 0.03 -0.70 1.20 0.00 0.00 173.24 172.81 1ilf s GLU 54 N -4.02 1.10 -0.02 5.44 2.12 -1.26 -1.84 118.70 120.23 1ilf s GLU 54 Ca 0.22 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.51 1ilf s GLU 54 Cb 0.05 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1ilf s GLU 54 CO 0.02 -0.81 -0.11 0.42 -0.54 0.00 0.00 175.26 174.25 1ilf s ILE 55 N 1.47 3.36 0.33 -3.70 -1.09 -0.41 -3.39 121.20 117.77 1ilf s ILE 55 Ca 0.03 -0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 1ilf s ILE 55 Cb -0.18 -2.40 -0.06 0.00 -1.58 0.00 0.00 42.46 38.24 1ilf s ILE 55 CO -0.14 0.48 0.63 0.00 -1.23 0.00 0.00 174.94 174.68 1ilf s ALA 56 N -0.88 3.51 -0.19 9.38 0.00 0.18 -1.32 121.76 132.44 1ilf s ALA 56 Ca 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1ilf s ALA 56 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1ilf s ALA 56 CO 0.04 0.18 -0.07 0.12 0.00 0.00 0.00 175.76 176.03 1ilf s PHE 57 N -2.16 2.93 -0.11 0.00 2.19 0.58 -1.90 117.98 119.50 1ilf s PHE 57 Ca 0.47 -0.80 0.20 0.00 0.33 0.00 0.00 56.93 57.13 1ilf s PHE 57 Cb -0.11 -2.02 0.42 0.00 -1.31 0.00 0.00 43.02 40.00 1ilf s PHE 57 CO 0.29 -0.41 1.61 0.28 1.83 0.00 0.00 175.22 178.83 1ilf h VAL 58 N 5.57 0.57 -0.76 3.12 2.07 -1.61 0.10 116.25 125.32 1ilf h VAL 58 Ca -0.37 -1.59 0.12 0.00 0.82 0.00 0.00 66.70 65.68 1ilf h VAL 58 Cb 1.18 2.11 -0.13 0.00 -1.52 0.00 0.00 31.29 32.93 1ilf h VAL 58 CO 0.60 0.30 -0.39 0.00 0.02 0.00 0.00 177.57 178.10 1ilf h ALA 59 N 1.70 -0.04 0.00 1.67 0.00 -1.87 -3.27 119.26 117.44 1ilf h ALA 59 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ilf h ALA 59 Cb 1.09 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1ilf h ALA 59 CO 0.04 -0.70 -0.31 -2.37 0.00 0.00 0.00 179.25 175.91 1ilf n THR 60 N -5.43 0.00 -2.72 0.00 5.66 -1.25 -5.04 114.28 105.49 1ilf n THR 60 Ca 0.06 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.95 1ilf n THR 60 Cb 0.37 0.69 0.05 0.00 -1.55 0.00 0.00 70.33 69.88 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ilf n GLY 61 N 0.00 -0.53 3.17 1.09 0.00 0.28 -5.04 105.19 104.16 1ilf n GLY 61 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1ilf n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ilf s THR 62 N -3.27 1.94 0.13 2.61 -1.32 -0.79 -4.90 115.64 110.05 1ilf s THR 62 Ca 0.32 -0.93 -0.30 0.00 -1.21 0.00 0.00 61.69 59.57 1ilf s THR 62 Cb -0.04 -1.71 -0.06 0.00 -1.51 0.00 0.00 72.50 69.18 1ilf s THR 62 CO 0.52 0.53 0.97 0.21 -2.21 0.00 0.00 174.62 174.63 1ilf s ASN 63 N 0.62 7.51 -0.08 8.08 2.47 -1.26 -0.31 114.94 131.97 1ilf s ASN 63 Ca -0.13 1.83 -0.01 0.00 0.42 0.00 0.00 52.86 54.98 1ilf s ASN 63 Cb -0.17 -2.59 0.03 0.00 -1.45 0.00 0.00 41.25 37.07 1ilf s ASN 63 CO 0.03 -0.04 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.58 1ilf s LEU 64 N -0.19 0.87 -0.40 3.21 1.43 -0.44 -4.95 118.68 118.21 1ilf s LEU 64 Ca 0.46 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1ilf s LEU 64 Cb -0.24 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1ilf s LEU 64 CO 0.30 -0.15 0.24 -0.44 0.23 0.00 0.00 176.35 176.53 1ilf s SER 65 N 1.71 5.70 0.13 2.29 0.01 -1.26 -1.29 113.70 121.00 1ilf s SER 65 Ca 0.02 -1.24 0.09 0.00 1.31 0.00 0.00 55.95 56.13 1ilf s SER 65 Cb -0.13 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1ilf s SER 65 CO -0.05 -0.47 -0.16 -0.76 0.41 0.00 0.00 173.24 172.21 1ilf s LEU 66 N 1.50 2.76 -0.33 2.44 1.02 -0.76 -5.02 118.68 120.28 1ilf s LEU 66 Ca 0.02 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1ilf s LEU 66 Cb -0.21 -1.56 0.08 0.00 0.02 0.00 0.00 46.19 44.52 1ilf s LEU 66 CO 0.05 0.16 0.04 0.00 0.02 0.00 0.00 176.35 176.62 1ilf s GLN 67 N -2.32 2.02 -0.20 1.70 0.00 -1.26 -2.10 119.66 117.49 1ilf s GLN 67 Ca 0.20 -1.59 -0.07 0.00 -0.00 0.00 0.00 55.36 53.90 1ilf s GLN 67 Cb -0.10 -3.23 -0.03 0.00 0.00 0.00 0.00 33.01 29.64 1ilf s GLN 67 CO 0.11 -0.81 0.05 -0.59 0.00 0.00 0.00 175.29 174.04 1ilf s PHE 68 N 1.10 3.15 -0.13 9.60 -0.12 0.18 -4.47 117.98 127.28 1ilf s PHE 68 Ca 0.02 -0.17 -0.27 0.00 -0.05 0.00 0.00 56.93 56.46 1ilf s PHE 68 Cb -0.20 -2.11 0.07 0.00 -0.63 0.00 0.00 43.02 40.14 1ilf s PHE 68 CO -0.05 -0.06 0.67 -0.06 -0.05 0.00 0.00 175.22 175.67 1ilf s PHE 69 N 0.80 -0.68 -0.35 3.49 0.08 -1.26 -4.17 117.98 115.89 1ilf s PHE 69 Ca 0.03 1.39 -0.36 0.00 0.12 0.00 0.00 56.93 58.10 1ilf s PHE 69 Cb -0.14 0.33 -0.12 0.00 -0.57 0.00 0.00 43.02 42.52 1ilf s PHE 69 CO 0.02 -0.50 2.14 -2.30 -0.10 0.00 0.00 175.22 174.49 1ilf n PRO 70 N 1.67 1.02 0.25 0.24 -0.02 -1.26 -4.78 135.00 132.12 1ilf n PRO 70 Ca -0.17 0.29 0.17 0.00 -2.02 0.00 0.00 63.50 61.77 1ilf n PRO 70 Cb 0.56 -2.36 0.79 0.00 -0.02 0.00 0.00 33.50 32.48 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf h ALA 71 N 11.62 1.61 -0.61 3.55 0.00 -1.99 -1.30 119.26 132.14 1ilf h ALA 71 Ca -0.28 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.22 1ilf h ALA 71 Cb 1.33 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.95 1ilf h ALA 71 CO 1.02 -0.44 0.53 -1.13 0.00 0.00 0.00 179.25 179.23 1ilf n SER 72 N -3.19 6.59 -4.18 0.00 3.41 -1.26 -4.88 113.62 110.11 1ilf n SER 72 Ca 0.01 -3.24 -0.27 0.00 -0.26 0.00 0.00 58.87 55.12 1ilf n SER 72 Cb 0.46 -1.02 -0.16 0.00 -0.26 0.00 0.00 64.21 63.24 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1ilf s TRP 73 N -2.33 1.79 -0.53 7.33 0.52 -0.49 -5.09 118.94 120.14 1ilf s TRP 73 Ca 0.40 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.14 1ilf s TRP 73 Cb 0.31 -1.17 0.16 0.00 -1.15 0.00 0.00 33.47 31.62 1ilf s TRP 73 CO -0.00 -0.09 0.37 -0.65 0.02 0.00 0.00 176.95 176.60 1ilf s GLN 74 N -0.28 1.57 -0.54 4.98 -0.21 -1.26 -4.92 119.66 119.01 1ilf s GLN 74 Ca 0.03 -2.53 -0.01 0.00 0.02 0.00 0.00 55.36 52.88 1ilf s GLN 74 Cb -0.09 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1ilf s GLN 74 CO 0.01 -1.29 0.52 0.41 -2.12 0.00 0.00 175.29 172.82 1ilf n GLY 75 N 2.72 -1.01 2.53 3.09 0.00 -1.26 -4.99 105.19 106.27 1ilf n GLY 75 Ca 0.20 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 1ilf n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ilf n GLU 76 N -1.52 2.49 0.23 1.61 1.02 -1.26 -4.86 120.64 118.35 1ilf n GLU 76 Ca 0.00 -3.95 0.13 0.00 -0.02 0.00 0.00 57.16 53.32 1ilf n GLU 76 Cb 0.49 -1.84 0.75 0.00 -0.02 0.00 0.00 31.44 30.83 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1ilf h GLN 77 N 2.70 0.00 -0.24 3.49 3.07 -2.01 -2.65 115.11 119.48 1ilf h GLN 77 Ca 0.13 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.93 1ilf h GLN 77 Cb 1.09 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.58 1ilf h GLN 77 CO 0.67 0.00 -0.25 0.00 0.09 0.00 0.00 178.83 179.34 1ilf h ARG 78 N 0.00 -0.25 -7.08 0.06 2.47 -2.03 -3.42 114.38 104.13 1ilf h ARG 78 Ca 0.05 0.02 -0.50 0.00 -1.26 0.00 0.00 59.98 58.29 1ilf h ARG 78 Cb 0.22 0.06 0.04 0.00 -1.65 0.00 0.00 29.97 28.64 1ilf h ARG 78 CO -0.00 -0.16 0.22 -0.65 0.56 0.00 0.00 179.97 179.93 1ilf s GLN 79 N -6.08 3.55 0.31 0.04 -0.21 -1.00 -5.07 119.66 111.21 1ilf s GLN 79 Ca -0.15 0.38 -0.20 0.00 0.02 0.00 0.00 55.36 55.42 1ilf s GLN 79 Cb 0.12 -2.27 -0.09 0.00 1.00 0.00 0.00 33.01 31.76 1ilf s GLN 79 CO 0.68 -0.34 0.81 -0.08 -2.12 0.00 0.00 175.29 174.24 1ilf s THR 80 N -2.90 4.50 0.96 -0.19 -1.32 -1.26 -4.99 115.64 110.44 1ilf s THR 80 Ca 0.50 1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 62.15 1ilf s THR 80 Cb -0.11 -3.77 0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1ilf s THR 80 CO 0.48 -0.02 -0.23 -0.81 -2.21 0.00 0.00 174.62 171.83 1ilf n PRO 81 N 0.12 -1.28 -4.27 7.08 -0.04 -1.26 -5.01 135.00 130.34 1ilf n PRO 81 Ca 0.02 -0.37 -0.26 0.00 -0.04 0.00 0.00 63.50 62.85 1ilf n PRO 81 Cb 0.52 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1ilf n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ilf s SER 82 N -1.58 4.47 0.00 3.54 0.15 -1.26 -5.00 113.70 114.02 1ilf s SER 82 Ca 0.36 -0.55 0.16 0.00 0.70 0.00 0.00 55.95 56.62 1ilf s SER 82 Cb -0.03 -0.83 0.74 0.00 -1.71 0.00 0.00 66.02 64.19 1ilf s SER 82 CO 0.44 0.07 1.50 0.54 1.20 0.00 0.00 173.24 176.99 1ilf n ARG 83 N -0.28 0.09 0.21 5.44 1.74 -1.06 -1.41 116.66 121.39 1ilf n ARG 83 Ca -0.09 0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 57.03 1ilf n ARG 83 Cb 0.56 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ilf h GLU 84 N 0.00 -0.54 0.00 5.56 5.08 -1.94 -3.26 114.58 119.48 1ilf h GLU 84 Ca 0.00 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ilf h GLU 84 Cb 0.23 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ilf h GLU 84 CO 0.00 -0.36 -1.90 0.66 -1.00 0.00 0.00 179.01 176.41 1ilf n TYR 85 N -5.36 0.00 -3.49 4.33 4.02 -1.21 -4.12 117.16 111.33 1ilf n TYR 85 Ca -0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.60 1ilf n TYR 85 Cb 0.27 -0.49 -0.13 0.00 -0.02 0.00 0.00 39.34 38.97 1ilf n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ilf s VAL 86 N -3.15 -0.30 0.07 -0.72 -7.23 -0.50 0.42 120.40 108.99 1ilf s VAL 86 Ca -0.07 -0.20 0.06 0.00 -1.81 0.00 0.00 61.98 59.96 1ilf s VAL 86 Cb 0.11 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 1ilf s VAL 86 CO 0.76 -0.28 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.55 1ilf s ASP 87 N 2.30 4.37 -0.06 4.85 -1.08 -1.10 -2.57 116.67 123.39 1ilf s ASP 87 Ca 0.07 -0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 51.75 1ilf s ASP 87 Cb -0.16 -0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 40.41 1ilf s ASP 87 CO -0.16 0.21 -0.06 0.18 0.52 0.00 0.00 175.17 175.86 1ilf n LEU 88 N 1.01 1.51 -3.79 -1.34 7.99 -1.26 -4.14 117.00 116.97 1ilf n LEU 88 Ca -0.14 0.03 -0.14 0.00 -0.01 0.00 0.00 56.01 55.74 1ilf n LEU 88 Cb 0.52 -0.18 -0.15 0.00 -0.11 0.00 0.00 43.42 43.50 1ilf n LEU 88 CO 0.32 0.32 -0.35 -0.70 -1.51 0.00 0.00 177.39 175.47 1ilf s GLU 89 N -2.11 -0.03 0.00 3.23 -6.30 -1.26 -4.57 118.70 107.66 1ilf s GLU 89 Ca -0.08 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 52.54 1ilf s GLU 89 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 34.13 33.97 1ilf s GLU 89 CO 0.11 -0.13 0.00 2.89 0.02 0.00 0.00 175.26 178.15 1ilf n ARG 90 N 3.93 0.00 0.00 4.30 -4.01 -1.26 -5.10 116.66 114.51 1ilf n ARG 90 Ca -0.24 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.57 1ilf n ARG 90 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 1ilf n ARG 90 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1ilf n GLU 91 N -1.47 0.00 0.00 2.89 4.07 -1.26 -5.11 120.64 119.75 1ilf n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ilf n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ilf n ALA 92 N -3.00 0.00 0.00 4.31 0.00 -1.26 -5.04 120.51 115.52 1ilf n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ilf n ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 2.27 3.36 0.00 0.00 -1.26 -5.13 105.19 104.43 1ilf n GLY 93 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1ilf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ilf s LYS 94 N 0.00 1.73 -0.04 1.61 -0.14 -1.26 -4.09 119.74 117.56 1ilf s LYS 94 Ca 0.00 -2.02 0.03 0.00 -1.36 0.00 0.00 55.97 52.62 1ilf s LYS 94 Cb 0.00 -0.07 0.00 0.00 -1.68 0.00 0.00 37.83 36.09 1ilf s LYS 94 CO 0.00 -0.53 -0.12 0.14 -0.76 0.00 0.00 175.35 174.08 1ilf s VAL 95 N -3.46 1.04 0.14 3.17 -7.23 -0.91 -4.75 120.40 108.40 1ilf s VAL 95 Ca 0.34 -0.49 0.11 0.00 -1.81 0.00 0.00 61.98 60.13 1ilf s VAL 95 Cb 0.03 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1ilf s VAL 95 CO 0.20 0.31 -0.26 -0.72 -0.31 0.00 0.00 175.10 174.33 1ilf s TYR 96 N 0.19 2.33 0.08 2.82 -0.85 -1.26 0.26 117.35 120.92 1ilf s TYR 96 Ca -0.04 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.17 1ilf s TYR 96 Cb -0.10 -1.24 -0.03 0.00 0.38 0.00 0.00 41.96 40.96 1ilf s TYR 96 CO 0.01 0.37 -0.09 -0.48 -1.52 0.00 0.00 175.55 173.83 1ilf s LEU 97 N -2.15 2.35 -0.14 -3.49 -0.00 -0.48 -2.70 118.68 112.07 1ilf s LEU 97 Ca 0.15 -0.72 0.02 0.00 -0.00 0.00 0.00 54.13 53.58 1ilf s LEU 97 Cb -0.10 -0.26 0.01 0.00 -0.00 0.00 0.00 46.19 45.84 1ilf s LEU 97 CO 0.07 -0.24 -0.21 -0.75 -0.00 0.00 0.00 176.35 175.21 1ilf s LYS 98 N -2.37 2.95 -0.03 1.48 2.36 0.17 -2.14 119.74 122.15 1ilf s LYS 98 Ca 0.00 -0.83 0.04 0.00 -2.55 0.00 0.00 55.97 52.63 1ilf s LYS 98 Cb -0.05 -2.39 -0.00 0.00 -1.05 0.00 0.00 37.83 34.33 1ilf s LYS 98 CO -0.00 -0.03 -0.15 0.00 1.55 0.00 0.00 175.35 176.73 1ilf s ALA 99 N 0.85 1.31 -0.25 3.13 0.00 -0.72 -4.34 121.76 121.73 1ilf s ALA 99 Ca -0.07 -0.58 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 1ilf s ALA 99 Cb -0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1ilf s ALA 99 CO -0.02 0.24 0.55 -1.25 0.00 0.00 0.00 175.76 175.28 1ilf s PRO 100 N 0.03 4.09 0.26 0.00 0.04 -1.26 -1.73 135.00 136.44 1ilf s PRO 100 Ca -0.02 0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.45 1ilf s PRO 100 Cb -0.10 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 1ilf s PRO 100 CO 0.01 -0.35 0.03 -1.64 0.04 0.00 0.00 177.00 175.09 1ilf s MET 101 N 2.31 1.44 -0.43 4.56 -1.94 -0.33 -4.91 119.30 120.01 1ilf s MET 101 Ca 0.23 -1.76 -0.11 0.00 -1.71 0.00 0.00 55.69 52.34 1ilf s MET 101 Cb -0.16 -0.63 0.07 0.00 2.01 0.00 0.00 34.83 36.13 1ilf s MET 101 CO 0.09 -0.16 0.28 0.42 -0.01 0.00 0.00 175.02 175.65 1ilf s ILE 102 N -3.44 4.45 0.08 2.53 -1.09 -1.26 -1.89 121.20 120.58 1ilf s ILE 102 Ca 0.32 -1.29 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 1ilf s ILE 102 Cb 0.07 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1ilf s ILE 102 CO 0.12 -0.50 0.10 -0.76 -1.23 0.00 0.00 174.94 172.67 1ilf s LEU 103 N 1.48 3.89 0.00 2.97 1.43 -0.57 -4.83 118.68 123.04 1ilf s LEU 103 Ca 0.03 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1ilf s LEU 103 Cb -0.23 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1ilf s LEU 103 CO 0.03 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.58 1ilf n ASN 104 N 0.39 0.00 -4.13 2.29 2.85 -1.26 0.14 115.26 115.54 1ilf n ASN 104 Ca -0.08 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 1ilf n ASN 104 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ilf n GLY 105 N 0.00 -0.52 3.52 8.20 0.00 -1.26 -4.87 105.19 110.27 1ilf n GLY 105 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1ilf n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ilf s VAL 106 N -3.89 0.00 -0.39 1.61 1.01 0.38 -1.98 120.40 117.14 1ilf s VAL 106 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 1ilf s VAL 106 Cb -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1ilf s VAL 106 CO 0.97 0.00 0.61 0.00 0.00 0.00 0.00 175.10 176.68 1ilf s VAL 108 N 2.68 2.49 -0.28 0.00 -7.23 -0.79 -1.58 120.40 115.68 1ilf s VAL 108 Ca 0.22 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1ilf s VAL 108 Cb -0.15 -2.11 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1ilf s VAL 108 CO 0.16 0.10 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.41 1ilf s ILE 109 N -1.08 1.83 -0.22 -0.62 -1.09 0.78 -1.19 121.20 119.60 1ilf s ILE 109 Ca 0.15 -1.68 -0.19 0.00 -2.23 0.00 0.00 60.65 56.71 1ilf s ILE 109 Cb -0.10 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.59 1ilf s ILE 109 CO 0.07 -0.30 0.55 0.86 -1.23 0.00 0.00 174.94 174.89 1ilf s TRP 110 N 1.20 3.34 0.11 3.97 -0.00 -0.70 -0.62 118.94 126.24 1ilf s TRP 110 Ca 0.00 0.78 0.10 0.00 -0.00 0.00 0.00 56.10 56.98 1ilf s TRP 110 Cb -0.19 -2.72 -0.04 0.00 -0.00 0.00 0.00 33.47 30.52 1ilf s TRP 110 CO -0.09 -0.18 -0.26 0.15 -0.00 0.00 0.00 176.95 176.58 1ilf s LYS 111 N 1.93 1.41 -0.28 5.86 3.01 0.41 -1.75 119.74 130.33 1ilf s LYS 111 Ca 0.24 -1.28 -0.29 0.00 -1.01 0.00 0.00 55.97 53.64 1ilf s LYS 111 Cb -0.16 -1.83 0.19 0.00 -1.01 0.00 0.00 37.83 35.03 1ilf s LYS 111 CO 0.09 0.44 1.35 0.20 0.51 0.00 0.00 175.35 177.95 1ilf s GLY 112 N -1.90 0.09 0.23 -3.33 0.00 -0.91 0.40 107.32 101.90 1ilf s GLY 112 Ca 0.12 2.85 0.08 0.00 0.00 0.00 0.00 44.72 47.78 1ilf s GLY 112 CO 0.05 1.15 0.07 0.66 0.00 0.00 0.00 173.10 175.03 1ilf s TRP 113 N -0.96 2.89 -0.02 1.90 1.48 -0.03 -1.38 118.94 122.82 1ilf s TRP 113 Ca 0.08 -0.15 0.06 0.00 -1.06 0.00 0.00 56.10 55.03 1ilf s TRP 113 Cb -0.01 -1.32 -0.02 0.00 -1.16 0.00 0.00 33.47 30.96 1ilf s TRP 113 CO -0.08 0.56 -0.20 0.42 -4.06 0.00 0.00 176.95 173.59 1ilf s ILE 114 N -2.09 1.59 -0.08 0.66 -1.09 0.14 -1.75 121.20 118.58 1ilf s ILE 114 Ca 0.31 -0.86 -0.23 0.00 -2.23 0.00 0.00 60.65 57.63 1ilf s ILE 114 Cb -0.08 -1.32 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 1ilf s ILE 114 CO 0.21 0.45 0.71 1.51 -1.23 0.00 0.00 174.94 176.59 1ilf s ASP 115 N -0.46 6.97 0.00 3.58 1.47 -0.54 -2.15 116.67 125.55 1ilf s ASP 115 Ca 0.07 1.17 0.00 0.00 1.18 0.00 0.00 52.55 54.98 1ilf s ASP 115 Cb -0.08 -2.41 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 1ilf s ASP 115 CO -0.01 -0.14 0.71 0.18 0.68 0.00 0.00 175.17 176.58 1ilf n LEU 116 N 3.94 0.43 0.03 2.11 4.77 -1.26 -1.40 117.00 125.63 1ilf n LEU 116 Ca -0.01 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.75 1ilf n LEU 116 Cb 0.51 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1ilf n LEU 116 CO 0.47 0.11 -0.07 1.41 -1.33 0.00 0.00 177.39 177.98 1ilf n HIS 117 N -0.25 0.00 0.38 -1.77 8.25 -1.26 -4.81 115.22 115.76 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ilf n HIS 117 Cb 0.11 -0.05 0.11 0.00 1.12 0.00 0.00 29.99 31.28 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ilf h ARG 118 N -0.10 0.00 -0.33 -0.41 3.08 -2.00 -3.48 114.38 111.13 1ilf h ARG 118 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1ilf h ARG 118 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1ilf h ARG 118 CO 0.00 0.00 -0.08 1.28 -1.07 0.00 0.00 179.97 180.10 1ilf n LEU 119 N -2.39 -0.66 -4.14 3.04 4.77 -0.49 -4.97 117.00 112.16 1ilf n LEU 119 Ca 0.02 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 1ilf n LEU 119 Cb 0.49 -0.93 -0.12 0.00 -2.33 0.00 0.00 43.42 40.52 1ilf n LEU 119 CO 0.37 -0.13 -0.45 -1.81 -1.33 0.00 0.00 177.39 174.04 1ilf s ASP 120 N -2.90 1.52 0.00 -1.43 1.11 -1.25 -2.11 116.67 111.60 1ilf s ASP 120 Ca 0.00 -0.55 0.00 0.00 0.18 0.00 0.00 52.55 52.18 1ilf s ASP 120 Cb 0.00 -0.05 0.00 0.00 1.07 0.00 0.00 42.92 43.94 1ilf s ASP 120 CO 0.00 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 176.90 1ilf n GLY 121 N 1.53 4.64 2.88 0.21 0.00 0.14 -1.46 105.19 113.13 1ilf n GLY 121 Ca -0.20 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 1ilf n GLY 121 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ilf s MET 122 N 4.94 0.06 0.33 1.61 1.75 -0.72 0.25 119.30 127.52 1ilf s MET 122 Ca 0.00 0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.74 1ilf s MET 122 Cb 0.00 -0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.51 1ilf s MET 122 CO 0.00 -0.15 0.07 0.41 -0.65 0.00 0.00 175.02 174.70 1ilf n GLY 123 N 4.05 3.54 3.64 2.11 0.00 -0.72 -0.85 105.19 116.97 1ilf n GLY 123 Ca -0.25 -2.30 -0.02 0.00 0.00 0.00 0.00 46.02 43.45 1ilf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilf s LEU 125 N -1.44 3.70 -0.20 0.00 1.43 -0.78 -0.45 118.68 120.94 1ilf s LEU 125 Ca 0.10 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1ilf s LEU 125 Cb -0.01 -2.26 0.10 0.00 0.03 0.00 0.00 46.19 44.05 1ilf s LEU 125 CO -0.06 0.23 0.38 -1.61 0.23 0.00 0.00 176.35 175.52 1ilf s GLU 126 N -1.98 0.31 0.92 1.70 2.02 0.21 -4.21 118.70 117.67 1ilf s GLU 126 Ca 0.24 0.84 -0.14 0.00 0.02 0.00 0.00 54.97 55.93 1ilf s GLU 126 Cb -0.12 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 1ilf s GLU 126 CO 0.16 -0.38 0.17 0.34 0.02 0.00 0.00 175.26 175.57 1ilf n PHE 127 N 5.38 -2.17 -3.75 1.61 -0.00 -1.26 -0.16 117.46 117.11 1ilf n PHE 127 Ca -0.07 0.20 -0.30 0.00 -0.00 0.00 0.00 57.45 57.28 1ilf n PHE 127 Cb 0.50 -1.73 -0.15 0.00 -0.00 0.00 0.00 39.48 38.10 1ilf n PHE 127 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1ilf s ASP 128 N -1.72 3.98 0.00 -2.13 2.15 -0.62 -4.63 116.67 113.70 1ilf s ASP 128 Ca 0.54 -1.59 0.12 0.00 0.43 0.00 0.00 52.55 52.05 1ilf s ASP 128 Cb -0.23 -0.89 0.37 0.00 -0.30 0.00 0.00 42.92 41.88 1ilf s ASP 128 CO 0.69 -0.40 1.30 -0.62 -0.17 0.00 0.00 175.17 175.97 1ilf n GLU 129 N 4.83 1.73 -0.07 4.34 1.02 -1.26 -2.99 120.64 128.24 1ilf n GLU 129 Ca -0.03 -1.12 -0.08 0.00 -0.02 0.00 0.00 57.16 55.91 1ilf n GLU 129 Cb 0.42 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ilf h GLU 130 N 1.89 0.00 0.19 3.49 4.39 -1.97 -3.28 114.58 119.29 1ilf h GLU 130 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1ilf h GLU 130 Cb 0.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1ilf h GLU 130 CO 0.00 0.39 -1.52 -0.09 -1.16 0.00 0.00 179.01 176.63 1ilf h ARG 131 N -1.00 0.40 -0.74 2.33 9.65 -1.99 -3.31 114.38 119.71 1ilf h ARG 131 Ca -0.06 -0.68 0.12 0.00 -1.10 0.00 0.00 59.98 58.26 1ilf h ARG 131 Cb 0.57 0.25 -0.08 0.00 -1.39 0.00 0.00 29.97 29.32 1ilf h ARG 131 CO -0.03 1.31 0.34 0.00 2.80 0.00 0.00 179.97 184.39 1ilf h ALA 132 N 0.29 1.05 -0.55 2.80 0.00 -1.75 -0.71 119.26 120.40 1ilf h ALA 132 Ca -0.26 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ilf h ALA 132 Cb 2.09 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1ilf h ALA 132 CO 0.22 -0.12 0.13 -0.56 0.00 0.00 0.00 179.25 178.92 1ilf h GLN 133 N 0.54 0.84 -0.48 0.00 3.07 -1.68 -2.56 115.11 114.85 1ilf h GLN 133 Ca 0.39 -0.17 -0.06 0.00 0.09 0.00 0.00 58.65 58.90 1ilf h GLN 133 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 1ilf h GLN 133 CO -0.33 0.76 0.07 1.96 0.09 0.00 0.00 178.83 181.37 1ilf h GLN 134 N 0.81 0.74 -1.00 0.06 4.20 -1.24 -1.95 115.11 116.73 1ilf h GLN 134 Ca 0.18 -0.16 0.23 0.00 0.06 0.00 0.00 58.65 58.96 1ilf h GLN 134 Cb 0.30 -0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.88 1ilf h GLN 134 CO -0.00 0.71 0.64 0.93 -0.67 0.00 0.00 178.83 180.43 1ilf h GLU 135 N 0.71 0.48 -0.24 1.46 4.39 -0.94 1.04 114.58 121.48 1ilf h GLU 135 Ca 0.15 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 1ilf h GLU 135 Cb 0.34 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ilf h GLU 135 CO 0.01 0.32 -0.53 -0.44 -1.16 0.00 0.00 179.01 177.20 1ilf h ASP 136 N 0.49 0.79 -0.06 1.42 3.32 -1.41 0.26 116.42 121.23 1ilf h ASP 136 Ca 0.57 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1ilf h ASP 136 Cb 1.28 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ilf h ASP 136 CO -0.30 1.16 -0.03 0.00 -1.72 0.00 0.00 179.24 178.35 1ilf h ALA 137 N 0.85 0.08 -0.31 3.45 0.00 0.96 -0.88 119.26 123.42 1ilf h ALA 137 Ca 0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1ilf h ALA 137 Cb 1.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ilf h ALA 137 CO 0.11 -0.17 -0.42 -0.07 0.00 0.00 0.00 179.25 178.70 1ilf h LEU 138 N -0.26 0.83 -1.46 0.00 3.38 0.44 -2.67 115.31 115.57 1ilf h LEU 138 Ca 0.01 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ilf h LEU 138 Cb 0.47 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ilf h LEU 138 CO 0.01 1.14 -0.02 0.00 0.09 0.00 0.00 178.44 179.66 1ilf h ALA 139 N 0.90 1.01 -3.22 1.53 0.00 -0.49 -3.38 119.26 115.59 1ilf h ALA 139 Ca 0.05 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 1ilf h ALA 139 Cb 0.98 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.37 1ilf h ALA 139 CO 0.09 0.02 -0.76 -0.65 0.00 0.00 0.00 179.25 177.95 1ilf s GLN 140 N -3.68 0.78 0.00 0.00 -0.21 -0.34 -5.04 119.66 111.17 1ilf s GLN 140 Ca 0.01 -0.93 0.15 0.00 0.02 0.00 0.00 55.36 54.61 1ilf s GLN 140 Cb 0.09 -2.07 0.12 0.00 1.00 0.00 0.00 33.01 32.15 1ilf s GLN 140 CO 0.55 -0.88 0.97 1.04 -2.12 0.00 0.00 175.29 174.85