#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 4.30 -0.01 0.03 0.04 -1.26 -4.97 135.00 133.13 1ilf s PRO 2 Ca 0.00 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1ilf s PRO 2 Cb 0.00 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1ilf s PRO 2 CO 0.00 -0.55 0.49 -0.09 0.04 0.00 0.00 177.00 176.89 1ilf h ARG 3 N 7.75 -0.16 -5.20 4.56 1.12 -1.96 -3.45 114.38 117.05 1ilf h ARG 3 Ca -0.37 0.01 -0.62 0.00 -1.11 0.00 0.00 59.98 57.89 1ilf h ARG 3 Cb 1.17 0.04 -0.17 0.00 -0.01 0.00 0.00 29.97 31.00 1ilf h ARG 3 CO 0.90 -0.11 -0.58 0.14 -3.11 0.00 0.00 179.97 177.22 1ilf s VAL 4 N -2.29 4.69 0.38 0.20 -7.23 -1.26 -4.10 120.40 110.79 1ilf s VAL 4 Ca -0.02 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 1ilf s VAL 4 Cb 0.00 -3.13 -0.09 0.00 0.56 0.00 0.00 36.38 33.72 1ilf s VAL 4 CO 0.07 0.43 0.83 0.68 -0.31 0.00 0.00 175.10 176.80 1ilf s VAL 5 N 0.67 4.60 0.15 1.32 -7.23 -1.23 -4.93 120.40 113.75 1ilf s VAL 5 Ca 0.03 1.08 0.02 0.00 -1.81 0.00 0.00 61.98 61.30 1ilf s VAL 5 Cb -0.13 -3.64 0.20 0.00 0.56 0.00 0.00 36.38 33.37 1ilf s VAL 5 CO 0.02 -0.32 0.74 -2.65 -0.31 0.00 0.00 175.10 172.58 1ilf n PRO 6 N -0.70 -0.04 -3.66 4.82 -0.02 -1.26 -2.03 135.00 132.11 1ilf n PRO 6 Ca 0.05 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 1ilf n PRO 6 Cb 0.54 -1.13 -0.12 0.00 -0.02 0.00 0.00 33.50 32.76 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 -4.98 3.43 0.17 2.55 1.11 -1.26 -4.96 116.67 112.73 1ilf s ASP 7 Ca -0.06 -2.73 -0.14 0.00 0.18 0.00 0.00 52.55 49.80 1ilf s ASP 7 Cb 0.14 -0.95 0.06 0.00 1.07 0.00 0.00 42.92 43.25 1ilf s ASP 7 CO 0.37 -0.25 1.83 1.56 1.18 0.00 0.00 175.17 179.86 1ilf h GLN 8 N 6.53 0.70 0.00 8.23 7.50 -1.69 0.73 115.11 137.11 1ilf h GLN 8 Ca 0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1ilf h GLN 8 Cb 0.92 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.29 1ilf h GLN 8 CO 0.47 0.47 -0.07 0.07 -1.50 0.00 0.00 178.83 178.27 1ilf h ARG 9 N 0.71 0.00 -0.61 1.46 0.11 -1.92 0.19 114.38 114.31 1ilf h ARG 9 Ca 0.19 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.19 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 0.07 0.08 0.77 0.10 0.00 0.00 179.97 180.95 1ilf h SER 10 N 0.00 0.97 0.24 0.08 0.02 -1.25 0.50 113.55 114.11 1ilf h SER 10 Ca -0.00 -0.23 -0.34 0.00 -0.84 0.00 0.00 61.79 60.38 1ilf h SER 10 Cb 0.21 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ilf h SER 10 CO 0.01 0.98 -1.68 0.11 -1.14 0.00 0.00 176.83 175.11 1ilf h LYS 11 N 0.95 0.40 0.00 3.45 1.79 -0.97 0.25 116.57 122.44 1ilf h LYS 11 Ca 0.19 -0.69 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 1ilf h LYS 11 Cb 0.44 0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1ilf h LYS 11 CO 0.01 1.32 -0.04 0.35 -1.08 0.00 0.00 179.45 180.01 1ilf h PHE 12 N 0.11 0.00 0.00 -1.35 3.04 -0.59 0.51 116.94 118.66 1ilf h PHE 12 Ca -0.32 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.31 1ilf h PHE 12 Cb 2.10 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.55 1ilf h PHE 12 CO 0.10 0.04 -2.31 -0.85 -2.02 0.00 0.00 178.31 173.28 1ilf n GLU 13 N -3.22 0.80 -0.10 1.11 0.28 0.17 -4.24 120.64 115.44 1ilf n GLU 13 Ca -0.01 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.85 1ilf n GLU 13 Cb 0.25 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.47 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -2.68 0.34 -4.75 -1.84 2.85 0.87 -4.90 115.26 105.15 1ilf n ASN 14 Ca -0.29 -0.02 -0.41 0.00 -0.11 0.00 0.00 54.58 53.74 1ilf n ASN 14 Cb 1.09 0.75 -0.02 0.00 1.24 0.00 0.00 39.78 42.84 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1ilf s GLU 15 N -2.50 4.22 0.00 1.20 0.41 0.18 -4.90 118.70 117.32 1ilf s GLU 15 Ca -0.14 2.39 0.00 0.00 -0.41 0.00 0.00 54.97 56.81 1ilf s GLU 15 Cb 0.07 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1ilf s GLU 15 CO 0.79 -0.46 0.33 -0.85 -0.49 0.00 0.00 175.26 174.58 1ilf n GLU 16 N 1.96 0.00 -0.34 1.61 0.00 -1.26 0.62 120.64 123.23 1ilf n GLU 16 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.41 1ilf n GLU 16 Cb 0.40 -0.83 0.41 0.00 0.00 0.00 0.00 31.44 31.41 1ilf n GLU 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ilf h PHE 17 N 0.00 0.94 -0.05 -1.84 -5.15 -1.97 1.89 116.94 110.77 1ilf h PHE 17 Ca 0.00 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.78 1ilf h PHE 17 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 35.95 35.89 1ilf h PHE 17 CO 0.00 0.08 -0.09 0.35 -2.00 0.00 0.00 178.31 176.64 1ilf h PHE 18 N 0.55 0.07 0.00 6.09 3.04 -1.89 0.45 116.94 125.25 1ilf h PHE 18 Ca 0.63 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.57 1ilf h PHE 18 Cb 1.27 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.75 1ilf h PHE 18 CO -0.01 0.17 -0.12 0.00 -2.02 0.00 0.00 178.31 176.33 1ilf h ARG 19 N 0.07 0.00 -1.40 1.11 3.08 0.81 0.54 114.38 118.59 1ilf h ARG 19 Ca 0.02 0.00 0.42 0.00 0.07 0.00 0.00 59.98 60.49 1ilf h ARG 19 Cb 0.21 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 1ilf h ARG 19 CO 0.01 0.09 0.96 0.87 -1.07 0.00 0.00 179.97 180.83 1ilf h LYS 20 N -1.00 0.09 0.12 0.04 1.57 0.13 1.02 116.57 118.54 1ilf h LYS 20 Ca -0.01 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1ilf h LYS 20 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ilf h LYS 20 CO -0.00 0.06 -1.94 -0.07 -0.57 0.00 0.00 179.45 176.93 1ilf h LEU 21 N 0.09 0.39 -1.11 2.94 3.38 -0.19 -3.33 115.31 117.48 1ilf h LEU 21 Ca 0.75 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ilf h LEU 21 Cb 2.62 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.24 1ilf h LEU 21 CO -0.21 1.75 0.42 -1.28 0.09 0.00 0.00 178.44 179.21 1ilf h SER 22 N 0.07 0.00 -3.36 -0.43 0.87 0.64 -2.56 113.55 108.78 1ilf h SER 22 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1ilf h SER 22 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 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 -2.36 1.51 -3.93 2.24 5.12 -0.37 -3.74 116.66 115.13 1ilf n ARG 23 Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 1ilf n ARG 23 Cb 0.44 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.62 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1ilf s GLU 24 N -0.67 3.69 0.07 5.56 -1.05 -1.26 -2.03 118.70 123.01 1ilf s GLU 24 Ca 0.00 -0.48 -0.13 0.00 -0.15 0.00 0.00 54.97 54.21 1ilf s GLU 24 Cb 0.00 -3.21 0.02 0.00 -0.44 0.00 0.00 34.13 30.50 1ilf s GLU 24 CO 0.00 -0.04 0.30 0.00 0.95 0.00 0.00 175.26 176.48 1ilf n GLU 26 N 0.26 1.22 -4.42 0.00 0.28 -1.26 -0.81 120.64 115.89 1ilf n GLU 26 Ca -0.17 0.43 -0.21 0.00 -0.16 0.00 0.00 57.16 57.05 1ilf n GLU 26 Cb 0.61 -1.82 -0.10 0.00 1.43 0.00 0.00 31.44 31.56 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1ilf s ILE 27 N -1.15 1.44 0.04 3.84 -4.36 0.14 -1.59 121.20 119.57 1ilf s ILE 27 Ca 0.60 -2.07 -0.18 0.00 -0.26 0.00 0.00 60.65 58.73 1ilf s ILE 27 Cb -0.67 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 40.55 1ilf s ILE 27 CO 0.59 -0.23 0.42 -1.59 0.24 0.00 0.00 174.94 174.37 1ilf s LYS 28 N -3.79 0.92 -0.15 0.37 -2.85 -0.46 -0.98 119.74 112.80 1ilf s LYS 28 Ca 0.31 -0.34 -0.28 0.00 -1.00 0.00 0.00 55.97 54.66 1ilf s LYS 28 Cb 0.05 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1ilf s LYS 28 CO 0.12 -0.31 0.94 -0.47 0.10 0.00 0.00 175.35 175.73 1ilf s TYR 29 N -2.41 3.45 0.00 1.78 5.04 -0.35 0.36 117.35 125.22 1ilf s TYR 29 Ca -0.06 1.44 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1ilf s TYR 29 Cb -0.01 -3.13 0.05 0.00 0.35 0.00 0.00 41.96 39.22 1ilf s TYR 29 CO -0.02 -0.27 0.88 0.25 -1.34 0.00 0.00 175.55 175.05 1ilf n THR 30 N 4.73 0.00 -0.07 4.34 -2.24 -1.26 -4.85 114.28 114.93 1ilf n THR 30 Ca 0.08 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1ilf n THR 30 Cb 0.48 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 1ilf n THR 30 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ilf h GLY 31 N 0.12 0.00 -2.24 3.38 0.00 -1.89 -3.43 103.07 99.00 1ilf h GLY 31 Ca -0.33 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1ilf h GLY 31 CO -0.14 0.00 -0.83 1.97 0.00 0.00 0.00 176.54 177.54 1ilf n PHE 32 N -4.61 0.00 0.71 5.60 -1.74 -1.26 -4.83 117.46 111.32 1ilf n PHE 32 Ca -0.12 -0.31 0.12 0.00 -0.56 0.00 0.00 57.45 56.57 1ilf n PHE 32 Cb 0.37 -0.10 0.20 0.00 1.52 0.00 0.00 39.48 41.47 1ilf n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 1ilf n ARG 33 N 0.31 0.20 0.30 3.97 -4.01 -1.26 -4.05 116.66 112.11 1ilf n ARG 33 Ca 0.03 0.05 0.14 0.00 -1.04 0.00 0.00 57.85 57.04 1ilf n ARG 33 Cb 0.98 -1.62 0.69 0.00 -3.04 0.00 0.00 32.46 29.47 1ilf n ARG 33 CO 0.00 0.00 0.00 0.38 -3.04 0.00 0.00 177.63 174.97 1ilf h ASP 34 N 0.00 0.00 0.00 2.89 2.03 -1.89 -3.00 116.42 116.46 1ilf h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ilf h ASP 34 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1ilf h ASP 34 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.10 1ilf n ARG 35 N -2.94 0.00 -1.94 4.15 0.00 -1.26 -4.85 116.66 109.83 1ilf n ARG 35 Ca -0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.96 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 0.00 2.59 -0.30 2.89 -0.04 -1.26 -4.77 135.00 134.11 1ilf n PRO 36 Ca 0.00 -2.67 0.11 0.00 -0.04 0.00 0.00 63.50 60.90 1ilf n PRO 36 Cb 0.00 -3.35 0.25 0.00 -0.04 0.00 0.00 33.50 30.37 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 7.23 0.09 -0.32 0.54 2.76 -1.84 0.96 115.15 124.58 1ilf h HIS 37 Ca 0.47 0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.79 1ilf h HIS 37 Cb 0.75 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1ilf h HIS 37 CO 1.39 -0.30 0.32 1.49 -1.30 0.00 0.00 177.93 179.53 1ilf h GLU 38 N 0.11 0.00 0.17 5.26 4.22 -1.89 0.25 114.58 122.69 1ilf h GLU 38 Ca 0.53 0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.62 1ilf h GLU 38 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ilf h GLU 38 CO -0.75 0.00 -1.72 1.49 -2.18 0.00 0.00 179.01 175.85 1ilf h GLU 39 N 0.00 0.35 -0.22 1.92 4.81 0.48 -3.26 114.58 118.66 1ilf h GLU 39 Ca 0.15 -0.61 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1ilf h GLU 39 Cb 0.79 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1ilf h GLU 39 CO -0.00 1.26 0.33 0.00 -0.73 0.00 0.00 179.01 179.87 1ilf h ARG 40 N 0.10 0.00 -0.85 1.92 -0.00 0.11 0.45 114.38 116.11 1ilf h ARG 40 Ca -0.33 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.18 1ilf h ARG 40 Cb 2.08 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 32.01 1ilf h ARG 40 CO 0.17 0.00 0.56 -0.56 0.00 0.00 0.00 179.97 180.14 1ilf h GLN 41 N 0.00 1.06 0.05 0.04 -0.00 -1.24 0.66 115.11 115.68 1ilf h GLN 41 Ca 0.11 -0.06 -0.28 0.00 -0.00 0.00 0.00 58.65 58.42 1ilf h GLN 41 Cb 0.77 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.48 27.98 1ilf h GLN 41 CO -0.00 0.70 -1.45 1.15 -0.00 0.00 0.00 178.83 179.23 1ilf h THR 42 N 1.09 1.20 -0.37 1.86 2.02 -0.39 -2.53 112.91 115.80 1ilf h THR 42 Ca 0.33 -2.93 -0.02 0.00 0.77 0.00 0.00 66.41 64.56 1ilf h THR 42 Cb -0.04 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1ilf h THR 42 CO -0.09 0.76 0.16 0.03 0.37 0.00 0.00 175.52 176.76 1ilf h ARG 43 N 0.03 0.51 0.09 6.66 2.47 0.06 0.84 114.38 125.04 1ilf h ARG 43 Ca -0.20 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1ilf h ARG 43 Cb 1.95 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 1ilf h ARG 43 CO 0.12 0.41 -0.04 0.35 0.56 0.00 0.00 179.97 181.37 1ilf h PHE 44 N 0.51 -0.11 -0.24 3.04 3.57 0.23 0.64 116.94 124.59 1ilf h PHE 44 Ca 0.13 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1ilf h PHE 44 Cb 0.08 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1ilf h PHE 44 CO 0.00 0.39 0.19 1.96 -2.23 0.00 0.00 178.31 178.62 1ilf h GLN 45 N -0.91 0.00 0.00 1.11 1.08 -1.19 0.38 115.11 115.58 1ilf h GLN 45 Ca -0.01 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.01 1ilf h GLN 45 Cb 0.55 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1ilf h GLN 45 CO 0.02 0.00 -0.97 -0.91 -0.95 0.00 0.00 178.83 176.02 1ilf h ASN 46 N 0.00 0.00 0.22 1.46 4.21 0.69 -3.15 115.58 119.01 1ilf h ASN 46 Ca 0.11 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 1ilf h ASN 46 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1ilf h ASN 46 CO -0.00 0.74 -0.31 0.00 -1.29 0.00 0.00 177.43 176.56 1ilf h ALA 47 N 1.26 1.33 0.00 -0.83 0.00 0.21 0.38 119.26 121.61 1ilf h ALA 47 Ca -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ilf h ALA 47 Cb 1.62 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ilf h ALA 47 CO 0.08 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1ilf h ARG 49 N 0.00 0.00 -0.46 0.00 0.11 -0.99 -2.75 114.38 110.29 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 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1ilf h ARG 49 CO 0.00 0.51 0.00 -0.25 0.10 0.00 0.00 179.97 180.33 1ilf n ASP 50 N -3.87 3.37 -3.24 0.08 8.00 -0.10 -4.55 116.55 116.24 1ilf n ASP 50 Ca -0.01 -1.95 -0.23 0.00 0.71 0.00 0.00 54.79 53.31 1ilf n ASP 50 Cb 0.53 -0.30 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.23 -0.52 3.23 0.44 0.00 -0.46 -4.90 105.19 104.21 1ilf n GLY 51 Ca 0.18 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.97 0.34 0.17 1.61 0.52 -0.63 0.61 118.95 115.60 1ilf s ARG 52 Ca 0.43 0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 56.36 1ilf s ARG 52 Cb -0.19 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 1ilf s ARG 52 CO 0.53 -0.18 0.22 -1.12 0.02 0.00 0.00 175.30 174.77 1ilf s SER 53 N 1.58 0.12 -0.33 0.23 0.01 -0.93 -4.24 113.70 110.14 1ilf s SER 53 Ca -0.08 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1ilf s SER 53 Cb -0.09 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.64 1ilf s SER 53 CO -0.12 -0.86 0.08 -0.70 0.41 0.00 0.00 173.24 172.04 1ilf s GLU 54 N -4.02 1.15 0.07 12.44 2.12 -1.26 -1.86 118.70 127.33 1ilf s GLU 54 Ca 0.23 -1.54 0.05 0.00 0.36 0.00 0.00 54.97 54.07 1ilf s GLU 54 Cb 0.05 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1ilf s GLU 54 CO 0.03 -0.97 -0.05 0.42 -0.54 0.00 0.00 175.26 174.15 1ilf s ILE 55 N 1.18 3.68 0.20 -3.70 -1.09 -0.43 -3.67 121.20 117.38 1ilf s ILE 55 Ca 0.11 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.49 1ilf s ILE 55 Cb -0.18 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1ilf s ILE 55 CO -0.15 0.19 0.39 0.00 -1.23 0.00 0.00 174.94 174.14 1ilf s ALA 56 N -1.19 3.83 -0.19 9.38 0.00 0.16 -1.13 121.76 132.61 1ilf s ALA 56 Ca 0.22 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1ilf s ALA 56 Cb -0.11 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1ilf s ALA 56 CO 0.14 0.45 -0.05 0.12 0.00 0.00 0.00 175.76 176.42 1ilf s PHE 57 N -1.85 2.95 0.07 0.00 2.19 -0.17 -1.36 117.98 119.81 1ilf s PHE 57 Ca 0.39 -0.74 0.20 0.00 0.33 0.00 0.00 56.93 57.11 1ilf s PHE 57 Cb -0.11 -2.03 0.63 0.00 -1.31 0.00 0.00 43.02 40.19 1ilf s PHE 57 CO 0.29 -0.38 1.70 0.28 1.83 0.00 0.00 175.22 178.94 1ilf h VAL 58 N 5.54 0.73 -0.54 3.12 2.07 -1.61 0.71 116.25 126.28 1ilf h VAL 58 Ca -0.36 -1.52 0.11 0.00 0.82 0.00 0.00 66.70 65.75 1ilf h VAL 58 Cb 1.18 1.98 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 1ilf h VAL 58 CO 0.60 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 178.43 1ilf h ALA 59 N 1.66 0.41 0.00 1.67 0.00 -1.89 -3.30 119.26 117.82 1ilf h ALA 59 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ilf h ALA 59 Cb 0.95 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ilf h ALA 59 CO 0.04 -0.42 -0.31 0.25 0.00 0.00 0.00 179.25 178.81 1ilf n THR 60 N -5.34 0.00 -3.53 0.00 -2.24 -1.24 -5.02 114.28 96.92 1ilf n THR 60 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 1ilf n THR 60 Cb 0.29 0.69 0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 61 N 0.00 -0.47 3.70 3.38 0.00 0.24 -4.98 105.19 107.06 1ilf n GLY 61 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.33 5.33 0.02 2.61 -1.32 -0.97 -4.81 115.64 113.17 1ilf s THR 62 Ca 0.35 0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 60.88 1ilf s THR 62 Cb -0.15 -3.56 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1ilf s THR 62 CO 0.73 0.36 0.99 0.21 -2.21 0.00 0.00 174.62 174.70 1ilf s ASN 63 N 0.74 7.38 -0.10 8.08 2.47 -1.26 -1.00 114.94 131.26 1ilf s ASN 63 Ca 0.12 1.70 -0.00 0.00 0.42 0.00 0.00 52.86 55.09 1ilf s ASN 63 Cb -0.13 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1ilf s ASN 63 CO 0.03 -0.23 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.35 1ilf s LEU 64 N 0.81 1.15 -0.39 3.21 1.43 -0.28 -4.99 118.68 119.63 1ilf s LEU 64 Ca 0.51 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1ilf s LEU 64 Cb -0.22 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.31 1ilf s LEU 64 CO 0.28 -0.11 0.21 -0.44 0.23 0.00 0.00 176.35 176.53 1ilf s SER 65 N 1.57 5.60 0.15 2.29 0.01 -1.26 -1.31 113.70 120.74 1ilf s SER 65 Ca 0.01 -1.29 0.10 0.00 1.31 0.00 0.00 55.95 56.09 1ilf s SER 65 Cb -0.13 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 1ilf s SER 65 CO -0.06 -0.45 -0.20 -0.76 0.41 0.00 0.00 173.24 172.18 1ilf s LEU 66 N 1.45 2.58 -0.34 2.44 1.02 -0.78 -5.02 118.68 120.03 1ilf s LEU 66 Ca 0.02 -0.69 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 1ilf s LEU 66 Cb -0.21 -1.38 0.08 0.00 0.02 0.00 0.00 46.19 44.70 1ilf s LEU 66 CO 0.03 0.15 0.07 -1.10 0.02 0.00 0.00 176.35 175.52 1ilf s GLN 67 N -2.37 2.08 -0.18 1.70 -0.21 -1.26 -2.19 119.66 117.23 1ilf s GLN 67 Ca 0.19 -1.58 -0.05 0.00 0.02 0.00 0.00 55.36 53.93 1ilf s GLN 67 Cb -0.09 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1ilf s GLN 67 CO 0.10 -0.83 0.00 -0.59 -2.12 0.00 0.00 175.29 171.85 1ilf s PHE 68 N 1.13 3.09 -0.26 0.91 -0.12 0.20 -4.49 117.98 118.45 1ilf s PHE 68 Ca 0.02 -0.23 -0.23 0.00 -0.05 0.00 0.00 56.93 56.44 1ilf s PHE 68 Cb -0.21 -2.03 0.07 0.00 -0.63 0.00 0.00 43.02 40.22 1ilf s PHE 68 CO -0.04 -0.04 0.68 -0.06 -0.05 0.00 0.00 175.22 175.71 1ilf s PHE 69 N 0.56 -0.77 -0.53 3.49 0.08 -1.26 -4.23 117.98 115.32 1ilf s PHE 69 Ca -0.00 1.84 -0.34 0.00 0.12 0.00 0.00 56.93 58.55 1ilf s PHE 69 Cb -0.14 0.28 -0.14 0.00 -0.57 0.00 0.00 43.02 42.46 1ilf s PHE 69 CO 0.02 -0.37 2.33 -2.30 -0.10 0.00 0.00 175.22 174.80 1ilf n PRO 70 N 2.85 0.71 0.26 0.24 -0.02 -1.26 -4.74 135.00 133.03 1ilf n PRO 70 Ca -0.14 0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1ilf n PRO 70 Cb 0.56 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.30 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 13.12 1.31 0.00 3.55 0.00 -1.99 0.38 119.26 135.63 1ilf h ALA 71 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ilf h ALA 71 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ilf h ALA 71 CO 1.13 -0.31 0.00 1.03 0.00 0.00 0.00 179.25 181.10 1ilf h SER 72 N 0.00 0.00 -1.88 0.00 0.87 -2.06 -3.46 113.55 107.02 1ilf h SER 72 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 1ilf h SER 72 Cb 0.71 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.75 1ilf h SER 72 CO 0.00 0.00 0.26 -2.67 -0.53 0.00 0.00 176.83 173.89 1ilf n TRP 73 N -2.67 1.26 -1.64 2.24 4.27 0.13 -4.89 117.44 116.14 1ilf n TRP 73 Ca 0.03 0.69 0.06 0.00 -3.89 0.00 0.00 57.50 54.39 1ilf n TRP 73 Cb 0.35 -2.27 0.19 0.00 -1.36 0.00 0.00 31.31 28.22 1ilf n TRP 73 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1ilf n GLN 74 N 1.78 1.45 0.00 -2.67 1.13 -1.26 -4.94 117.38 112.86 1ilf n GLN 74 Ca 0.15 -3.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.05 1ilf n GLN 74 Cb 0.24 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ilf n GLY 75 N -1.01 0.80 2.64 1.08 0.00 -1.26 -5.08 105.19 102.37 1ilf n GLY 75 Ca 0.18 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 1.60 0.24 1.61 1.02 -1.26 -4.89 120.64 118.95 1ilf n GLU 76 Ca 0.00 -3.48 0.12 0.00 -0.02 0.00 0.00 57.16 53.78 1ilf n GLU 76 Cb 0.00 -1.45 0.74 0.00 -0.02 0.00 0.00 31.44 30.70 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ilf h GLN 77 N 2.87 0.00 -0.66 3.49 7.50 -2.00 -2.13 115.11 124.18 1ilf h GLN 77 Ca -0.04 0.00 0.11 0.00 0.50 0.00 0.00 58.65 59.22 1ilf h GLN 77 Cb 1.17 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.61 1ilf h GLN 77 CO 0.51 0.00 0.23 0.00 -1.50 0.00 0.00 178.83 178.07 1ilf h ARG 78 N 0.00 0.38 -7.15 1.46 2.47 -2.05 -3.42 114.38 106.06 1ilf h ARG 78 Ca 0.04 -0.02 -0.50 0.00 -1.26 0.00 0.00 59.98 58.24 1ilf h ARG 78 Cb 0.16 -0.09 0.05 0.00 -1.65 0.00 0.00 29.97 28.44 1ilf h ARG 78 CO -0.00 0.25 0.26 -0.65 0.56 0.00 0.00 179.97 180.39 1ilf s GLN 79 N -6.07 3.47 0.33 0.04 -0.21 -0.80 -5.06 119.66 111.35 1ilf s GLN 79 Ca -0.13 0.42 -0.20 0.00 0.02 0.00 0.00 55.36 55.47 1ilf s GLN 79 Cb 0.18 -2.23 -0.10 0.00 1.00 0.00 0.00 33.01 31.87 1ilf s GLN 79 CO 0.75 -0.44 0.84 -0.08 -2.12 0.00 0.00 175.29 174.24 1ilf s THR 80 N -2.98 4.47 0.96 -0.19 -1.32 -1.26 -5.01 115.64 110.31 1ilf s THR 80 Ca 0.52 1.37 -0.20 0.00 -1.21 0.00 0.00 61.69 62.16 1ilf s THR 80 Cb -0.11 -3.75 -0.06 0.00 -1.51 0.00 0.00 72.50 67.07 1ilf s THR 80 CO 0.49 -0.06 -0.79 -0.81 -2.21 0.00 0.00 174.62 171.24 1ilf n PRO 81 N 0.01 -0.63 -4.29 7.08 -0.04 -1.26 -5.01 135.00 130.85 1ilf n PRO 81 Ca 0.03 -0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 1ilf n PRO 81 Cb 0.52 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.30 4.52 0.06 3.54 0.15 -1.26 -5.00 113.70 114.41 1ilf s SER 82 Ca 0.36 -0.62 0.12 0.00 0.70 0.00 0.00 55.95 56.51 1ilf s SER 82 Cb 0.02 -0.84 0.53 0.00 -1.71 0.00 0.00 66.02 64.03 1ilf s SER 82 CO 0.54 0.02 1.38 0.54 1.20 0.00 0.00 173.24 176.91 1ilf n ARG 83 N -0.72 0.04 0.16 5.44 1.74 -1.02 -0.99 116.66 121.32 1ilf n ARG 83 Ca -0.07 0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 57.25 1ilf n ARG 83 Cb 0.58 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1ilf n ARG 83 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ilf h GLU 84 N 0.00 -0.51 0.00 5.56 4.22 -1.94 -3.29 114.58 118.62 1ilf h GLU 84 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1ilf h GLU 84 Cb 0.17 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ilf h GLU 84 CO 0.00 -0.34 -1.47 0.66 -2.18 0.00 0.00 179.01 175.67 1ilf n TYR 85 N -5.38 0.00 -3.40 0.92 4.02 -1.16 -4.33 117.16 107.82 1ilf n TYR 85 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.68 1ilf n TYR 85 Cb 0.29 -0.27 -0.10 0.00 -0.02 0.00 0.00 39.34 39.24 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 -2.90 -0.49 0.06 -0.72 -7.23 -0.16 0.54 120.40 109.50 1ilf s VAL 86 Ca -0.03 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1ilf s VAL 86 Cb 0.10 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1ilf s VAL 86 CO 0.61 -0.19 0.10 -0.62 -0.31 0.00 0.00 175.10 174.69 1ilf s ASP 87 N 2.45 5.72 -0.00 4.85 -1.08 -0.61 -2.42 116.67 125.58 1ilf s ASP 87 Ca 0.10 0.08 0.06 0.00 -0.52 0.00 0.00 52.55 52.27 1ilf s ASP 87 Cb -0.15 -1.60 0.11 0.00 -1.46 0.00 0.00 42.92 39.81 1ilf s ASP 87 CO -0.17 0.20 1.04 0.18 0.52 0.00 0.00 175.17 176.94 1ilf n LEU 88 N 0.60 0.27 -4.73 -1.34 4.32 -1.26 -4.15 117.00 110.70 1ilf n LEU 88 Ca -0.09 -1.27 -0.35 0.00 -0.02 0.00 0.00 56.01 54.28 1ilf n LEU 88 Cb 0.52 -0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 1ilf n LEU 88 CO 0.44 0.32 -0.17 -0.70 -1.22 0.00 0.00 177.39 176.06 1ilf s GLU 89 N -0.05 4.19 -0.64 3.23 2.12 -1.26 -4.98 118.70 121.31 1ilf s GLU 89 Ca 0.08 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 1ilf s GLU 89 Cb 0.10 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.97 1ilf s GLU 89 CO -0.04 0.30 1.82 2.89 -0.54 0.00 0.00 175.26 179.69 1ilf n ARG 90 N 3.51 1.39 -0.44 4.30 -4.01 -1.26 -4.53 116.66 115.62 1ilf n ARG 90 Ca -0.16 -1.36 0.03 0.00 -1.04 0.00 0.00 57.85 55.33 1ilf n ARG 90 Cb 0.52 -2.50 0.20 0.00 -3.04 0.00 0.00 32.46 27.64 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 5.42 2.91 0.00 2.89 4.07 -1.26 -4.46 120.64 130.21 1ilf n GLU 91 Ca 0.38 -1.55 0.00 0.00 -0.06 0.00 0.00 57.16 55.94 1ilf n GLU 91 Cb 0.21 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 29.72 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 0.31 0.00 0.00 4.31 0.00 -1.26 -5.00 120.51 118.87 1ilf n ALA 92 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ilf n ALA 92 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.20 0.33 3.37 0.00 0.00 -1.26 -5.13 105.19 102.30 1ilf n GLY 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.75 -0.16 1.61 3.01 -1.26 -4.40 119.74 120.29 1ilf s LYS 94 Ca 0.00 -2.03 0.02 0.00 -1.01 0.00 0.00 55.97 52.95 1ilf s LYS 94 Cb 0.00 -0.09 0.01 0.00 -1.01 0.00 0.00 37.83 36.74 1ilf s LYS 94 CO 0.00 -0.53 -0.20 0.54 0.51 0.00 0.00 175.35 175.67 1ilf s VAL 95 N -3.44 2.18 0.02 3.17 0.11 -0.80 -4.64 120.40 117.01 1ilf s VAL 95 Ca 0.34 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.52 1ilf s VAL 95 Cb 0.03 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 1ilf s VAL 95 CO 0.20 0.54 -0.13 -0.72 -3.33 0.00 0.00 175.10 171.66 1ilf s TYR 96 N 0.99 2.70 0.02 1.54 -0.85 -1.26 -1.22 117.35 119.28 1ilf s TYR 96 Ca -0.02 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1ilf s TYR 96 Cb -0.15 -1.53 -0.02 0.00 0.38 0.00 0.00 41.96 40.65 1ilf s TYR 96 CO -0.05 0.30 -0.02 -0.48 -1.52 0.00 0.00 175.55 173.78 1ilf s LEU 97 N -1.41 2.19 -0.11 -3.49 -0.00 -0.77 -1.57 118.68 113.51 1ilf s LEU 97 Ca 0.16 -0.46 0.03 0.00 -0.00 0.00 0.00 54.13 53.85 1ilf s LEU 97 Cb -0.11 0.13 0.01 0.00 -0.00 0.00 0.00 46.19 46.22 1ilf s LEU 97 CO 0.06 -0.29 -0.19 -0.75 -0.00 0.00 0.00 176.35 175.17 1ilf s LYS 98 N -1.40 2.61 -0.06 1.48 2.20 0.19 -1.99 119.74 122.78 1ilf s LYS 98 Ca -0.15 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1ilf s LYS 98 Cb -0.09 -2.08 0.01 0.00 -1.51 0.00 0.00 37.83 34.16 1ilf s LYS 98 CO -0.01 0.05 -0.11 0.00 -0.36 0.00 0.00 175.35 174.92 1ilf s ALA 99 N 0.67 1.16 -0.25 3.13 0.00 0.26 -4.38 121.76 122.36 1ilf s ALA 99 Ca -0.12 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.27 1ilf s ALA 99 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1ilf s ALA 99 CO 0.03 0.12 0.54 -1.25 0.00 0.00 0.00 175.76 175.19 1ilf s PRO 100 N 0.58 4.10 0.23 0.00 0.04 -1.26 -1.56 135.00 137.13 1ilf s PRO 100 Ca -0.12 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 1ilf s PRO 100 Cb -0.14 -3.64 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 1ilf s PRO 100 CO 0.03 -0.33 0.43 0.00 0.04 0.00 0.00 177.00 177.17 1ilf s MET 101 N 2.23 1.47 -0.23 4.56 0.23 -0.52 -4.96 119.30 122.08 1ilf s MET 101 Ca 0.23 -1.27 -0.14 0.00 -1.03 0.00 0.00 55.69 53.47 1ilf s MET 101 Cb -0.16 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 1ilf s MET 101 CO 0.09 -0.60 0.33 0.42 -2.03 0.00 0.00 175.02 173.23 1ilf s ILE 102 N -4.02 5.23 0.28 3.16 -1.09 -1.26 -1.49 121.20 122.01 1ilf s ILE 102 Ca 0.23 0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 59.09 1ilf s ILE 102 Cb 0.00 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1ilf s ILE 102 CO 0.08 0.25 0.61 -0.76 -1.23 0.00 0.00 174.94 173.89 1ilf s LEU 103 N 1.47 4.08 0.00 2.97 1.43 0.16 -4.87 118.68 123.92 1ilf s LEU 103 Ca 0.15 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1ilf s LEU 103 Cb -0.15 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1ilf s LEU 103 CO 0.08 -0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.08 1ilf n ASN 104 N -0.50 0.00 -2.57 2.29 3.02 -1.26 0.61 115.26 116.84 1ilf n ASN 104 Ca 0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.54 1ilf n ASN 104 Cb 0.53 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.80 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ilf n GLY 105 N 0.00 1.90 3.54 7.41 0.00 -1.26 -4.92 105.19 111.86 1ilf n GLY 105 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.55 -0.00 -0.17 1.61 1.01 0.20 -3.48 120.40 119.01 1ilf s VAL 106 Ca 0.12 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1ilf s VAL 106 Cb 0.40 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1ilf s VAL 106 CO -0.11 0.00 1.20 0.00 0.00 0.00 0.00 175.10 176.19 1ilf s VAL 108 N 3.26 0.00 -0.22 0.00 -7.23 -0.55 -1.85 120.40 113.81 1ilf s VAL 108 Ca 0.52 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1ilf s VAL 108 Cb -0.20 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.30 1ilf s VAL 108 CO 0.13 0.00 0.01 -0.63 -0.31 0.00 0.00 175.10 174.30 1ilf s ILE 109 N -4.07 0.91 -0.09 -0.62 1.01 0.19 -1.44 121.20 117.10 1ilf s ILE 109 Ca 0.39 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 1ilf s ILE 109 Cb 0.06 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1ilf s ILE 109 CO 0.14 -0.20 0.37 0.86 0.00 0.00 0.00 174.94 176.11 1ilf s TRP 110 N 1.67 3.58 0.06 3.97 -0.00 -0.60 -0.98 118.94 126.64 1ilf s TRP 110 Ca -0.02 0.81 -0.10 0.00 -0.00 0.00 0.00 56.10 56.79 1ilf s TRP 110 Cb -0.18 -2.36 0.01 0.00 -0.00 0.00 0.00 33.47 30.94 1ilf s TRP 110 CO -0.08 0.39 0.22 -1.59 -0.00 0.00 0.00 176.95 175.89 1ilf s LYS 111 N -0.13 0.78 0.00 5.86 0.00 -0.52 -0.58 119.74 125.15 1ilf s LYS 111 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 55.97 55.45 1ilf s LYS 111 Cb -0.15 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1ilf s LYS 111 CO 0.09 -0.24 0.00 0.41 0.00 0.00 0.00 175.35 175.61 1ilf n GLY 112 N 0.36 1.59 3.57 0.59 0.00 -0.84 -0.18 105.19 110.27 1ilf n GLY 112 Ca -0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1ilf n GLY 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ilf s TRP 113 N -2.00 2.69 0.11 1.61 1.48 0.25 -1.85 118.94 121.23 1ilf s TRP 113 Ca 0.00 -0.18 0.09 0.00 -1.06 0.00 0.00 56.10 54.95 1ilf s TRP 113 Cb 0.00 -1.39 -0.04 0.00 -1.16 0.00 0.00 33.47 30.88 1ilf s TRP 113 CO 0.00 0.44 -0.23 0.96 -4.06 0.00 0.00 176.95 174.06 1ilf s ILE 114 N -1.30 1.90 0.06 0.66 -0.00 -0.35 -1.27 121.20 120.90 1ilf s ILE 114 Ca 0.22 -1.59 -0.24 0.00 -0.00 0.00 0.00 60.65 59.04 1ilf s ILE 114 Cb -0.11 -1.70 -0.06 0.00 -0.00 0.00 0.00 42.46 40.59 1ilf s ILE 114 CO 0.14 0.02 0.73 1.51 -0.00 0.00 0.00 174.94 177.33 1ilf s ASP 115 N -1.90 7.20 0.00 4.36 1.47 -0.64 -1.90 116.67 125.27 1ilf s ASP 115 Ca 0.09 1.43 0.00 0.00 1.18 0.00 0.00 52.55 55.25 1ilf s ASP 115 Cb -0.10 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 1ilf s ASP 115 CO 0.05 0.09 0.64 0.18 0.68 0.00 0.00 175.17 176.80 1ilf n LEU 116 N 2.48 0.04 -0.00 2.11 4.77 -1.26 -0.85 117.00 124.29 1ilf n LEU 116 Ca -0.04 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1ilf n LEU 116 Cb 0.50 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ilf n LEU 116 CO 0.46 0.01 -0.10 1.57 -1.33 0.00 0.00 177.39 178.00 1ilf n HIS 117 N -0.46 0.00 0.42 -1.77 -0.00 -1.26 -4.79 115.22 107.36 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1ilf n HIS 117 Cb 0.01 -0.07 0.09 0.00 -0.12 0.00 0.00 29.99 29.90 1ilf n HIS 117 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ilf h ARG 118 N -0.15 0.00 -0.34 1.57 0.11 -2.00 -3.48 114.38 110.09 1ilf h ARG 118 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1ilf h ARG 118 Cb 0.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 1ilf h ARG 118 CO 0.00 0.00 -0.08 1.28 0.10 0.00 0.00 179.97 181.27 1ilf n LEU 119 N -2.27 -0.67 -4.42 0.08 4.77 -0.03 -4.79 117.00 109.68 1ilf n LEU 119 Ca 0.02 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.73 1ilf n LEU 119 Cb 0.47 -0.93 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 1ilf n LEU 119 CO 0.38 -0.13 -0.50 -0.62 -1.33 0.00 0.00 177.39 175.20 1ilf s ASP 120 N -2.90 3.68 0.00 -1.43 -1.08 -1.25 -1.21 116.67 112.47 1ilf s ASP 120 Ca 0.00 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1ilf s ASP 120 Cb 0.00 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.80 1ilf s ASP 120 CO 0.00 0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.63 1ilf n GLY 121 N 2.30 3.75 3.07 2.66 0.00 -0.15 -1.62 105.19 115.20 1ilf n GLY 121 Ca -0.17 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1ilf n GLY 121 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ilf s MET 122 N 4.99 0.61 0.34 1.61 1.00 -0.39 0.28 119.30 127.74 1ilf s MET 122 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 55.69 55.06 1ilf s MET 122 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 34.83 34.33 1ilf s MET 122 CO 0.00 0.11 0.22 0.41 0.00 0.00 0.00 175.02 175.76 1ilf n GLY 123 N 1.75 3.08 3.63 -0.03 0.00 0.01 -0.58 105.19 113.04 1ilf n GLY 123 Ca -0.20 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.37 4.36 -0.21 0.00 1.43 -0.86 -1.44 118.68 121.59 1ilf s LEU 125 Ca 0.05 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1ilf s LEU 125 Cb -0.03 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.50 1ilf s LEU 125 CO -0.08 0.21 0.38 -1.61 0.23 0.00 0.00 176.35 175.49 1ilf s GLU 126 N -2.23 0.31 0.94 1.70 0.41 -0.15 -4.15 118.70 115.53 1ilf s GLU 126 Ca 0.31 0.81 -0.16 0.00 -0.41 0.00 0.00 54.97 55.53 1ilf s GLU 126 Cb -0.13 -0.02 -0.08 0.00 -1.78 0.00 0.00 34.13 32.12 1ilf s GLU 126 CO 0.23 -0.40 -0.26 0.34 -0.49 0.00 0.00 175.26 174.68 1ilf n PHE 127 N 5.38 -3.51 -3.72 1.61 -0.00 -1.26 0.57 117.46 116.53 1ilf n PHE 127 Ca -0.06 0.11 -0.30 0.00 -0.00 0.00 0.00 57.45 57.20 1ilf n PHE 127 Cb 0.50 -1.60 -0.15 0.00 -0.00 0.00 0.00 39.48 38.23 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 -1.38 3.92 0.00 -2.13 2.15 -0.77 -4.53 116.67 113.93 1ilf s ASP 128 Ca 0.48 -1.55 0.28 0.00 0.43 0.00 0.00 52.55 52.19 1ilf s ASP 128 Cb -0.22 -0.81 1.12 0.00 -0.30 0.00 0.00 42.92 42.71 1ilf s ASP 128 CO 0.75 -0.41 1.78 -0.62 -0.17 0.00 0.00 175.17 176.51 1ilf n GLU 129 N 4.89 1.53 -0.05 4.34 1.02 -1.26 -2.87 120.64 128.23 1ilf n GLU 129 Ca -0.03 -0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 56.10 1ilf n GLU 129 Cb 0.42 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1ilf n GLU 129 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ilf h GLU 130 N 2.02 0.08 0.19 3.49 4.11 -1.98 -3.30 114.58 119.19 1ilf h GLU 130 Ca 0.00 -0.14 -0.32 0.00 0.07 0.00 0.00 59.36 58.96 1ilf h GLU 130 Cb 0.45 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1ilf h GLU 130 CO 0.00 1.07 -1.51 -0.09 0.07 0.00 0.00 179.01 178.55 1ilf h ARG 131 N -0.79 0.41 -0.35 1.06 2.43 -2.00 -3.29 114.38 111.85 1ilf h ARG 131 Ca -0.18 -0.69 0.10 0.00 -0.81 0.00 0.00 59.98 58.39 1ilf h ARG 131 Cb 1.32 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 1ilf h ARG 131 CO -0.03 1.31 0.31 0.00 -1.51 0.00 0.00 179.97 180.05 1ilf h ALA 132 N 0.29 2.13 -0.45 2.80 0.00 -1.72 -0.66 119.26 121.65 1ilf h ALA 132 Ca -0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1ilf h ALA 132 Cb 2.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1ilf h ALA 132 CO 0.22 -0.49 -0.25 1.96 0.00 0.00 0.00 179.25 180.69 1ilf h GLN 133 N 0.00 0.96 -0.67 0.00 4.20 -1.64 -3.05 115.11 114.91 1ilf h GLN 133 Ca 0.16 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1ilf h GLN 133 Cb 0.78 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1ilf h GLN 133 CO -0.00 1.10 0.34 1.96 -0.67 0.00 0.00 178.83 181.56 1ilf h GLN 134 N 0.80 0.94 -0.99 1.46 4.20 -1.27 -1.45 115.11 118.79 1ilf h GLN 134 Ca 0.09 -0.11 0.23 0.00 0.06 0.00 0.00 58.65 58.92 1ilf h GLN 134 Cb 0.84 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.34 1ilf h GLN 134 CO 0.07 0.71 0.63 0.93 -0.67 0.00 0.00 178.83 180.51 1ilf h GLU 135 N 0.94 0.49 -0.16 1.46 4.39 -1.43 1.03 114.58 121.30 1ilf h GLU 135 Ca 0.23 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.72 1ilf h GLU 135 Cb 0.07 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ilf h GLU 135 CO -0.03 0.32 -0.64 -0.44 -1.16 0.00 0.00 179.01 177.06 1ilf h ASP 136 N 0.51 0.67 -0.06 1.42 3.32 -1.35 0.21 116.42 121.13 1ilf h ASP 136 Ca 0.56 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ilf h ASP 136 Cb 1.24 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ilf h ASP 136 CO -0.30 1.14 -0.03 0.00 -1.72 0.00 0.00 179.24 178.33 1ilf h ALA 137 N 0.87 0.09 -0.29 3.45 0.00 0.11 -0.12 119.26 123.36 1ilf h ALA 137 Ca -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1ilf h ALA 137 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ilf h ALA 137 CO 0.12 -0.16 -0.50 -0.07 0.00 0.00 0.00 179.25 178.63 1ilf h LEU 138 N -0.26 0.89 -1.38 0.00 3.38 0.46 -2.77 115.31 115.63 1ilf h LEU 138 Ca 0.01 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ilf h LEU 138 Cb 0.47 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ilf h LEU 138 CO 0.01 1.23 -0.02 0.00 0.09 0.00 0.00 178.44 179.75 1ilf h ALA 139 N 0.79 1.00 -3.22 1.53 0.00 -0.60 -3.38 119.26 115.38 1ilf h ALA 139 Ca 0.03 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1ilf h ALA 139 Cb 1.09 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1ilf h ALA 139 CO 0.11 0.03 -0.76 -0.65 0.00 0.00 0.00 179.25 177.98 1ilf s GLN 140 N -3.65 0.78 0.00 0.00 -0.21 -0.06 -5.03 119.66 111.48 1ilf s GLN 140 Ca 0.01 -0.92 0.09 0.00 0.02 0.00 0.00 55.36 54.57 1ilf s GLN 140 Cb 0.09 -2.07 0.07 0.00 1.00 0.00 0.00 33.01 32.11 1ilf s GLN 140 CO 0.56 -0.88 0.79 1.04 -2.12 0.00 0.00 175.29 174.68