#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 2.42 -0.40 0.03 0.04 -1.26 -4.96 135.00 130.87 1ilf s PRO 2 Ca 0.00 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1ilf s PRO 2 Cb 0.00 -1.91 0.59 0.00 0.04 0.00 0.00 34.50 33.22 1ilf s PRO 2 CO 0.00 -1.53 1.75 2.89 0.04 0.00 0.00 177.00 180.15 1ilf n ARG 3 N -3.06 2.15 -4.45 4.56 -4.01 -1.26 -4.94 116.66 105.65 1ilf n ARG 3 Ca 0.10 -3.12 -0.20 0.00 -1.04 0.00 0.00 57.85 53.59 1ilf n ARG 3 Cb 0.52 -2.06 -0.15 0.00 -3.04 0.00 0.00 32.46 27.74 1ilf n ARG 3 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 1ilf s VAL 4 N -3.41 0.86 0.37 8.89 -7.23 -1.26 -4.06 120.40 114.56 1ilf s VAL 4 Ca 0.53 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 1ilf s VAL 4 Cb 0.45 -0.73 -0.10 0.00 0.56 0.00 0.00 36.38 36.57 1ilf s VAL 4 CO 0.06 0.22 0.81 0.68 -0.31 0.00 0.00 175.10 176.56 1ilf s VAL 5 N -0.31 4.58 0.40 1.32 -7.23 -0.89 -4.96 120.40 113.32 1ilf s VAL 5 Ca 0.04 1.13 0.21 0.00 -1.81 0.00 0.00 61.98 61.55 1ilf s VAL 5 Cb -0.04 -3.61 0.41 0.00 0.56 0.00 0.00 36.38 33.70 1ilf s VAL 5 CO -0.00 -0.25 1.71 -0.65 -0.31 0.00 0.00 175.10 175.60 1ilf h PRO 6 N 2.08 0.29 -2.97 4.82 0.11 -2.01 -3.23 132.00 131.09 1ilf h PRO 6 Ca -0.48 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.02 1ilf h PRO 6 Cb 1.18 -0.06 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 1ilf h PRO 6 CO 0.64 0.19 -0.78 -0.51 -0.21 0.00 0.00 178.00 177.33 1ilf s ASP 7 N -4.99 3.52 0.19 -2.05 1.11 -1.26 -4.98 116.67 108.22 1ilf s ASP 7 Ca -0.09 -2.24 -0.12 0.00 0.18 0.00 0.00 52.55 50.29 1ilf s ASP 7 Cb 0.27 -0.78 0.13 0.00 1.07 0.00 0.00 42.92 43.61 1ilf s ASP 7 CO 0.80 -0.32 1.86 1.56 1.18 0.00 0.00 175.17 180.25 1ilf h GLN 8 N 7.16 0.84 0.00 8.23 7.50 -1.81 0.08 115.11 137.10 1ilf h GLN 8 Ca -0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 1ilf h GLN 8 Cb 0.96 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.30 1ilf h GLN 8 CO 0.41 0.55 -0.17 0.07 -1.50 0.00 0.00 178.83 178.20 1ilf h ARG 9 N 0.86 0.00 -0.64 1.46 -0.00 -1.93 -0.93 114.38 113.20 1ilf h ARG 9 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.18 1ilf h ARG 9 Cb -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.87 1ilf h ARG 9 CO -0.06 0.17 0.21 0.77 -0.00 0.00 0.00 179.97 181.06 1ilf h SER 10 N 0.00 0.93 0.39 0.08 0.02 -1.38 0.49 113.55 114.07 1ilf h SER 10 Ca -0.00 -0.20 -0.32 0.00 -0.84 0.00 0.00 61.79 60.43 1ilf h SER 10 Cb 0.50 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1ilf h SER 10 CO 0.02 0.88 -1.56 0.11 -1.14 0.00 0.00 176.83 175.14 1ilf h LYS 11 N 0.93 0.30 0.00 3.45 6.56 -1.26 0.22 116.57 126.77 1ilf h LYS 11 Ca 0.21 -0.51 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1ilf h LYS 11 Cb 0.28 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1ilf h LYS 11 CO -0.01 1.18 -0.04 0.35 -2.06 0.00 0.00 179.45 178.87 1ilf h PHE 12 N 0.08 0.00 0.00 -1.35 3.04 -1.12 0.43 116.94 118.02 1ilf h PHE 12 Ca -0.26 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.39 1ilf h PHE 12 Cb 2.04 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.50 1ilf h PHE 12 CO 0.07 0.04 -2.29 -0.85 -2.02 0.00 0.00 178.31 173.27 1ilf n GLU 13 N -3.16 0.75 -0.10 1.11 0.28 0.17 -4.28 120.64 115.41 1ilf n GLU 13 Ca 0.00 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.16 56.85 1ilf n GLU 13 Cb 0.33 -1.51 -0.16 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.65 0.23 -4.75 -1.84 5.15 0.77 -4.91 115.26 107.26 1ilf n ASN 14 Ca -0.27 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.28 1ilf n ASN 14 Cb 1.04 0.83 -0.02 0.00 -0.53 0.00 0.00 39.78 41.10 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 -2.49 4.22 0.00 1.20 0.41 0.15 -4.90 118.70 117.28 1ilf s GLU 15 Ca -0.13 2.39 0.00 0.00 -0.41 0.00 0.00 54.97 56.83 1ilf s GLU 15 Cb 0.06 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1ilf s GLU 15 CO 0.80 -0.46 0.52 -0.85 -0.49 0.00 0.00 175.26 174.78 1ilf n GLU 16 N 1.89 0.00 -0.35 1.61 0.00 -1.26 0.44 120.64 122.97 1ilf n GLU 16 Ca 0.06 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.43 1ilf n GLU 16 Cb 0.40 -1.02 0.33 0.00 0.00 0.00 0.00 31.44 31.14 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1ilf h PHE 17 N 0.00 1.03 -0.04 -1.84 3.04 -1.97 1.41 116.94 118.57 1ilf h PHE 17 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1ilf h PHE 17 CO 0.03 0.18 -0.09 0.35 -2.02 0.00 0.00 178.31 176.76 1ilf h PHE 18 N 0.70 0.05 0.00 0.41 3.04 -1.89 0.38 116.94 119.63 1ilf h PHE 18 Ca 0.59 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.54 1ilf h PHE 18 Cb 0.97 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1ilf h PHE 18 CO -0.02 0.15 -0.08 0.00 -2.02 0.00 0.00 178.31 176.34 1ilf h ARG 19 N 0.05 0.00 -1.40 1.11 2.47 0.65 0.56 114.38 117.82 1ilf h ARG 19 Ca 0.01 0.00 0.42 0.00 -1.26 0.00 0.00 59.98 59.15 1ilf h ARG 19 Cb 0.20 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.43 1ilf h ARG 19 CO 0.01 0.00 0.97 0.87 0.56 0.00 0.00 179.97 182.38 1ilf h LYS 20 N -0.81 0.08 0.10 0.04 1.57 0.97 1.07 116.57 119.58 1ilf h LYS 20 Ca 0.00 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1ilf h LYS 20 Cb 0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1ilf h LYS 20 CO 0.00 0.05 -1.91 -0.07 -0.57 0.00 0.00 179.45 176.96 1ilf h LEU 21 N 0.08 0.34 -0.51 2.94 3.38 -0.34 -3.32 115.31 117.89 1ilf h LEU 21 Ca 0.74 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ilf h LEU 21 Cb 2.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.26 1ilf h LEU 21 CO -0.17 1.66 0.19 -1.20 0.09 0.00 0.00 178.44 179.01 1ilf n SER 22 N -3.40 0.20 -1.12 -0.43 7.64 0.36 -1.51 113.62 115.36 1ilf n SER 22 Ca -0.28 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1ilf n SER 22 Cb 1.05 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1ilf n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ilf n ARG 23 N -1.73 1.88 -4.13 1.43 5.12 -0.37 -3.76 116.66 115.11 1ilf n ARG 23 Ca -0.01 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1ilf n ARG 23 Cb 0.20 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.38 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 0.35 3.75 0.03 5.56 2.02 -1.26 -2.13 118.70 127.01 1ilf s GLU 24 Ca 0.00 -0.46 -0.14 0.00 0.02 0.00 0.00 54.97 54.39 1ilf s GLU 24 Cb 0.00 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.16 1ilf s GLU 24 CO 0.00 0.15 0.31 0.00 0.02 0.00 0.00 175.26 175.74 1ilf n GLU 26 N 0.71 1.67 -4.30 0.00 1.02 -1.26 0.09 120.64 118.57 1ilf n GLU 26 Ca -0.19 0.59 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 1ilf n GLU 26 Cb 0.59 -2.18 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.34 0.27 -3.67 -4.36 -0.00 -1.46 121.20 111.12 1ilf s ILE 27 Ca 0.61 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.82 1ilf s ILE 27 Cb -0.56 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 40.60 1ilf s ILE 27 CO 0.58 0.00 0.64 -1.59 0.24 0.00 0.00 174.94 174.81 1ilf s LYS 28 N -3.97 1.73 -0.08 0.37 -2.85 -0.68 -0.75 119.74 113.51 1ilf s LYS 28 Ca 0.37 -1.10 -0.28 0.00 -1.00 0.00 0.00 55.97 53.96 1ilf s LYS 28 Cb 0.07 0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 36.38 1ilf s LYS 28 CO 0.15 -0.77 0.94 -0.47 0.10 0.00 0.00 175.35 175.30 1ilf s TYR 29 N -3.89 3.55 -0.49 1.78 5.04 -0.61 0.31 117.35 123.04 1ilf s TYR 29 Ca 0.15 1.54 0.06 0.00 -2.44 0.00 0.00 57.07 56.39 1ilf s TYR 29 Cb -0.04 -3.10 0.20 0.00 0.35 0.00 0.00 41.96 39.36 1ilf s TYR 29 CO 0.08 -0.13 0.68 2.41 -1.34 0.00 0.00 175.55 177.25 1ilf n THR 30 N 4.30 -0.25 0.00 4.34 -1.04 -1.07 -4.68 114.28 115.88 1ilf n THR 30 Ca 0.06 -1.67 0.00 0.00 -2.04 0.00 0.00 64.05 60.40 1ilf n THR 30 Cb 0.50 0.47 0.00 0.00 -1.82 0.00 0.00 70.33 69.48 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ilf n GLY 31 N 2.62 -0.24 0.00 3.41 0.00 -1.14 -4.33 105.19 105.50 1ilf n GLY 31 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.26 0.00 0.65 1.61 1.16 -1.26 -4.65 117.46 112.71 1ilf n PHE 32 Ca 0.00 -0.23 0.09 0.00 -1.87 0.00 0.00 57.45 55.45 1ilf n PHE 32 Cb 0.00 -0.02 0.40 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.23 0.00 0.00 3.97 0.00 -1.26 -3.59 116.66 115.56 1ilf n ARG 33 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1ilf n ARG 33 Cb 0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.09 1ilf n ARG 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ilf n ASP 34 N -1.50 0.00 0.02 2.89 2.03 -1.26 -2.75 116.55 115.98 1ilf n ASP 34 Ca 0.05 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1ilf n ASP 34 Cb 0.22 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ilf n ARG 35 N -1.29 0.00 -2.64 -0.67 3.00 -1.24 -4.93 116.66 108.90 1ilf n ARG 35 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 32.46 32.63 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 -2.70 5.14 -0.10 5.56 -0.04 -1.24 -4.84 135.00 136.77 1ilf n PRO 36 Ca 0.00 -4.64 -0.06 0.00 -0.04 0.00 0.00 63.50 58.76 1ilf n PRO 36 Cb 0.00 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 4.04 -0.52 -0.64 0.54 2.76 -1.82 0.96 115.15 120.48 1ilf h HIS 37 Ca 0.50 0.04 0.18 0.00 -2.20 0.00 0.00 60.37 58.90 1ilf h HIS 37 Cb 0.33 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 1ilf h HIS 37 CO 1.28 -0.28 0.46 0.93 -1.30 0.00 0.00 177.93 179.02 1ilf h GLU 38 N -0.15 0.00 0.13 5.26 5.08 -1.90 0.37 114.58 123.37 1ilf h GLU 38 Ca 0.18 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.23 1ilf h GLU 38 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ilf h GLU 38 CO -0.46 0.00 -1.60 1.49 -1.00 0.00 0.00 179.01 177.44 1ilf h GLU 39 N 0.00 0.27 -0.15 2.33 4.81 -1.24 -3.24 114.58 117.36 1ilf h GLU 39 Ca 0.30 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1ilf h GLU 39 Cb 1.22 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1ilf h GLU 39 CO -0.00 1.13 0.25 0.00 -0.73 0.00 0.00 179.01 179.66 1ilf h ARG 40 N 0.07 0.00 -0.56 1.92 -0.00 0.49 0.15 114.38 116.44 1ilf h ARG 40 Ca -0.27 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.25 1ilf h ARG 40 Cb 2.03 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.96 1ilf h ARG 40 CO 0.16 0.00 0.31 -0.56 0.00 0.00 0.00 179.97 179.88 1ilf h GLN 41 N 0.00 0.58 0.06 0.04 3.07 -1.11 1.39 115.11 119.15 1ilf h GLN 41 Ca 0.07 -0.04 -0.26 0.00 0.09 0.00 0.00 58.65 58.52 1ilf h GLN 41 Cb 0.58 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 1ilf h GLN 41 CO -0.00 0.39 -1.23 1.15 0.09 0.00 0.00 178.83 179.22 1ilf h THR 42 N 0.60 1.48 0.00 1.86 2.02 -1.03 -2.59 112.91 115.24 1ilf h THR 42 Ca 0.24 -3.14 -0.04 0.00 0.77 0.00 0.00 66.41 64.24 1ilf h THR 42 Cb 0.11 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1ilf h THR 42 CO -0.14 0.88 -0.19 0.03 0.37 0.00 0.00 175.52 176.47 1ilf h ARG 43 N 0.04 0.00 0.19 6.66 3.08 -0.01 1.19 114.38 125.53 1ilf h ARG 43 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ilf h ARG 43 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.95 1ilf h ARG 43 CO 0.16 0.19 -0.09 0.35 -1.07 0.00 0.00 179.97 179.50 1ilf h PHE 44 N 0.00 -0.24 -0.13 3.04 3.57 0.19 0.80 116.94 124.17 1ilf h PHE 44 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1ilf h PHE 44 Cb 0.34 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1ilf h PHE 44 CO 0.00 0.07 0.10 1.96 -2.23 0.00 0.00 178.31 178.20 1ilf h GLN 45 N -0.99 0.00 0.00 1.11 4.20 -1.24 0.43 115.11 118.63 1ilf h GLN 45 Ca -0.03 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 1ilf h GLN 45 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1ilf h GLN 45 CO 0.04 0.00 -0.66 -0.97 -0.67 0.00 0.00 178.83 176.57 1ilf h ASN 46 N 0.00 0.00 0.60 1.46 -0.73 0.14 -2.85 115.58 114.20 1ilf h ASN 46 Ca 0.06 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.10 1ilf h ASN 46 Cb 0.26 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1ilf h ASN 46 CO -0.00 0.66 -0.62 0.00 -0.37 0.00 0.00 177.43 177.10 1ilf h ALA 47 N 1.34 0.96 0.00 1.57 0.00 0.23 -1.81 119.26 121.55 1ilf h ALA 47 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ilf h ALA 47 Cb 1.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ilf h ALA 47 CO 0.09 0.78 -0.01 0.00 0.00 0.00 0.00 179.25 180.10 1ilf h ARG 49 N 0.00 0.02 -0.02 0.00 3.08 -1.35 -3.09 114.38 113.02 1ilf h ARG 49 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ilf h ARG 49 Cb 0.11 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ilf h ARG 49 CO 0.00 0.95 -0.03 -0.25 -1.07 0.00 0.00 179.97 179.57 1ilf n ASP 50 N -3.44 2.01 -2.17 7.04 8.00 0.74 -4.56 116.55 124.16 1ilf n ASP 50 Ca -0.01 -1.64 -0.17 0.00 0.71 0.00 0.00 54.79 53.68 1ilf n ASP 50 Cb 0.89 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 42.02 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 1.25 -0.29 3.21 0.44 0.00 0.69 -4.90 105.19 105.59 1ilf n GLY 51 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.15 0.33 0.03 1.61 0.52 -0.74 0.49 118.95 116.05 1ilf s ARG 52 Ca 0.12 0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 56.03 1ilf s ARG 52 Cb -0.05 -0.00 -0.00 0.00 0.52 0.00 0.00 34.95 35.41 1ilf s ARG 52 CO 0.15 -0.18 0.13 -1.12 0.02 0.00 0.00 175.30 174.30 1ilf s SER 53 N 1.58 0.11 -0.36 0.23 0.01 -1.05 -4.42 113.70 109.79 1ilf s SER 53 Ca -0.08 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.78 1ilf s SER 53 Cb -0.09 0.24 0.10 0.00 0.21 0.00 0.00 66.02 66.48 1ilf s SER 53 CO -0.12 -0.49 0.10 -0.70 0.41 0.00 0.00 173.24 172.44 1ilf s GLU 54 N -2.35 1.64 0.06 12.44 2.12 -1.26 -2.08 118.70 129.27 1ilf s GLU 54 Ca -0.07 -1.87 0.08 0.00 0.36 0.00 0.00 54.97 53.47 1ilf s GLU 54 Cb -0.02 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1ilf s GLU 54 CO -0.03 -0.98 -0.20 0.96 -0.54 0.00 0.00 175.26 174.47 1ilf s ILE 55 N 0.95 2.66 0.33 -3.70 -0.00 -0.52 -2.58 121.20 118.34 1ilf s ILE 55 Ca 0.10 -1.32 -0.08 0.00 -0.00 0.00 0.00 60.65 59.36 1ilf s ILE 55 Cb -0.20 -2.13 -0.06 0.00 -0.00 0.00 0.00 42.46 40.07 1ilf s ILE 55 CO -0.07 0.28 0.64 0.00 -0.00 0.00 0.00 174.94 175.79 1ilf s ALA 56 N -0.96 3.51 -0.20 2.27 0.00 0.15 -1.14 121.76 125.39 1ilf s ALA 56 Ca 0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 1ilf s ALA 56 Cb -0.10 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1ilf s ALA 56 CO 0.06 0.17 -0.03 0.12 0.00 0.00 0.00 175.76 176.08 1ilf s PHE 57 N -2.17 2.99 0.12 0.00 2.19 0.93 -1.69 117.98 120.35 1ilf s PHE 57 Ca 0.47 -0.62 0.21 0.00 0.33 0.00 0.00 56.93 57.32 1ilf s PHE 57 Cb -0.11 -2.07 0.75 0.00 -1.31 0.00 0.00 43.02 40.29 1ilf s PHE 57 CO 0.29 -0.33 1.76 0.28 1.83 0.00 0.00 175.22 179.05 1ilf h VAL 58 N 5.49 0.71 -0.63 3.12 2.07 -1.58 0.58 116.25 126.00 1ilf h VAL 58 Ca -0.37 -1.36 0.12 0.00 0.82 0.00 0.00 66.70 65.91 1ilf h VAL 58 Cb 1.18 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 32.71 1ilf h VAL 58 CO 0.60 0.30 -0.30 0.00 0.02 0.00 0.00 177.57 178.19 1ilf h ALA 59 N 1.70 0.09 0.00 1.67 0.00 -1.89 -3.29 119.26 117.54 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 0.86 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ilf h ALA 59 CO 0.04 -0.61 -0.30 0.25 0.00 0.00 0.00 179.25 178.62 1ilf n THR 60 N -5.45 0.00 -3.13 0.00 -2.24 -1.24 -5.03 114.28 97.20 1ilf n THR 60 Ca 0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1ilf n THR 60 Cb 0.36 0.69 0.07 0.00 -2.10 0.00 0.00 70.33 69.35 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 3.42 3.38 0.00 0.20 -5.02 105.19 106.70 1ilf n GLY 61 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.32 3.33 0.14 2.61 -1.32 -0.86 -4.84 115.64 111.39 1ilf s THR 62 Ca 0.15 -0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 59.76 1ilf s THR 62 Cb -0.02 -2.41 -0.07 0.00 -1.51 0.00 0.00 72.50 68.49 1ilf s THR 62 CO 0.62 0.52 0.97 0.21 -2.21 0.00 0.00 174.62 174.73 1ilf s ASN 63 N 0.26 7.51 -0.06 8.08 2.47 -1.26 -0.05 114.94 131.89 1ilf s ASN 63 Ca -0.07 1.85 -0.01 0.00 0.42 0.00 0.00 52.86 55.05 1ilf s ASN 63 Cb -0.15 -2.59 0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1ilf s ASN 63 CO 0.05 -0.03 0.01 -0.76 -3.72 0.00 0.00 177.10 172.65 1ilf s LEU 64 N -0.28 0.63 -0.39 3.21 1.43 -0.29 -4.95 118.68 118.03 1ilf s LEU 64 Ca 0.46 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1ilf s LEU 64 Cb -0.24 -0.35 0.07 0.00 0.03 0.00 0.00 46.19 45.69 1ilf s LEU 64 CO 0.31 -0.18 0.20 -0.44 0.23 0.00 0.00 176.35 176.46 1ilf s SER 65 N 1.81 5.47 0.13 2.29 0.01 -1.26 -1.44 113.70 120.71 1ilf s SER 65 Ca 0.02 -1.48 0.08 0.00 1.31 0.00 0.00 55.95 55.88 1ilf s SER 65 Cb -0.12 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1ilf s SER 65 CO -0.04 -0.47 -0.11 -0.76 0.41 0.00 0.00 173.24 172.27 1ilf s LEU 66 N 1.37 2.97 -0.37 2.44 1.02 -0.88 -5.00 118.68 120.24 1ilf s LEU 66 Ca 0.02 -0.47 -0.04 0.00 0.02 0.00 0.00 54.13 53.66 1ilf s LEU 66 Cb -0.22 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.33 1ilf s LEU 66 CO 0.01 0.15 0.14 -1.10 0.02 0.00 0.00 176.35 175.57 1ilf s GLN 67 N -2.42 2.29 -0.23 1.70 1.11 -1.26 -2.54 119.66 118.32 1ilf s GLN 67 Ca 0.22 -1.53 -0.05 0.00 0.01 0.00 0.00 55.36 54.01 1ilf s GLN 67 Cb -0.10 -3.48 -0.02 0.00 -1.01 0.00 0.00 33.01 28.40 1ilf s GLN 67 CO 0.14 -0.87 0.00 -0.59 0.01 0.00 0.00 175.29 173.98 1ilf s PHE 68 N 1.25 3.01 -0.20 0.91 -0.12 0.18 -4.14 117.98 118.87 1ilf s PHE 68 Ca 0.02 -0.67 -0.25 0.00 -0.05 0.00 0.00 56.93 55.98 1ilf s PHE 68 Cb -0.21 -2.15 0.07 0.00 -0.63 0.00 0.00 43.02 40.10 1ilf s PHE 68 CO -0.02 -0.43 0.67 -0.06 -0.05 0.00 0.00 175.22 175.34 1ilf s PHE 69 N 1.43 -0.71 -0.36 3.49 0.08 -1.26 -4.16 117.98 116.50 1ilf s PHE 69 Ca 0.05 1.61 -0.40 0.00 0.12 0.00 0.00 56.93 58.32 1ilf s PHE 69 Cb -0.15 0.29 -0.15 0.00 -0.57 0.00 0.00 43.02 42.44 1ilf s PHE 69 CO 0.00 -0.42 1.97 -2.30 -0.10 0.00 0.00 175.22 174.36 1ilf n PRO 70 N 2.23 0.83 0.33 0.24 -0.02 -1.26 -4.78 135.00 132.57 1ilf n PRO 70 Ca -0.15 0.27 0.18 0.00 -2.02 0.00 0.00 63.50 61.78 1ilf n PRO 70 Cb 0.56 -2.07 0.95 0.00 -0.02 0.00 0.00 33.50 32.92 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 9.18 1.26 -0.59 3.55 0.00 -1.99 0.53 119.26 131.20 1ilf h ALA 71 Ca -0.33 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 1ilf h ALA 71 Cb 1.34 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1ilf h ALA 71 CO 1.01 -0.23 0.29 0.43 0.00 0.00 0.00 179.25 180.75 1ilf n SER 72 N -3.01 3.84 -4.36 0.00 7.64 -1.26 -4.89 113.62 111.59 1ilf n SER 72 Ca -0.02 -2.95 -0.32 0.00 1.01 0.00 0.00 58.87 56.59 1ilf n SER 72 Cb 0.28 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.63 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ilf s TRP 73 N -2.29 2.49 -0.16 1.43 0.52 0.17 -5.04 118.94 116.06 1ilf s TRP 73 Ca 0.39 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 56.00 1ilf s TRP 73 Cb 0.32 -1.57 -0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1ilf s TRP 73 CO 0.09 0.00 -0.26 1.04 0.02 0.00 0.00 176.95 177.84 1ilf n GLN 74 N 2.52 0.41 -3.17 4.98 6.02 -1.26 -5.00 117.38 121.88 1ilf n GLN 74 Ca -0.17 0.17 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1ilf n GLN 74 Cb 0.52 -1.21 -0.00 0.00 1.02 0.00 0.00 30.24 30.56 1ilf n GLN 74 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ilf s GLY 75 N -5.06 -1.27 -0.31 1.08 0.00 -1.26 -5.03 107.32 95.47 1ilf s GLY 75 Ca -0.25 0.69 0.18 0.00 0.00 0.00 0.00 44.72 45.34 1ilf s GLY 75 CO 0.34 3.69 0.99 1.18 0.00 0.00 0.00 173.10 179.30 1ilf n GLU 76 N 4.95 1.38 0.06 2.90 -0.58 -1.26 -4.90 120.64 123.18 1ilf n GLU 76 Ca 0.08 -3.36 0.11 0.00 -0.42 0.00 0.00 57.16 53.56 1ilf n GLU 76 Cb 0.55 -1.37 0.57 0.00 -0.57 0.00 0.00 31.44 30.63 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1ilf h GLN 77 N 2.89 0.22 -0.19 3.49 3.07 -1.99 -2.14 115.11 120.46 1ilf h GLN 77 Ca -0.09 -0.01 0.04 0.00 0.09 0.00 0.00 58.65 58.68 1ilf h GLN 77 Cb 1.19 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.67 1ilf h GLN 77 CO 0.45 0.14 -0.05 0.00 0.09 0.00 0.00 178.83 179.46 1ilf h ARG 78 N 0.22 -0.00 -7.11 0.06 2.47 -2.02 -3.43 114.38 104.58 1ilf h ARG 78 Ca 0.16 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.38 1ilf h ARG 78 Cb 0.35 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.71 1ilf h ARG 78 CO -0.03 -0.00 0.23 -0.65 0.56 0.00 0.00 179.97 180.08 1ilf s GLN 79 N -6.20 3.50 0.29 0.04 1.11 -0.80 -5.06 119.66 112.53 1ilf s GLN 79 Ca -0.13 0.38 -0.22 0.00 0.01 0.00 0.00 55.36 55.40 1ilf s GLN 79 Cb 0.10 -2.26 -0.09 0.00 -1.01 0.00 0.00 33.01 29.75 1ilf s GLN 79 CO 0.68 -0.39 0.83 -0.08 0.01 0.00 0.00 175.29 176.34 1ilf s THR 80 N -2.93 4.44 0.84 -0.19 -1.32 -1.26 -4.94 115.64 110.27 1ilf s THR 80 Ca 0.51 1.46 -0.09 0.00 -1.21 0.00 0.00 61.69 62.36 1ilf s THR 80 Cb -0.11 -3.86 0.13 0.00 -1.51 0.00 0.00 72.50 67.15 1ilf s THR 80 CO 0.48 0.08 0.27 -0.81 -2.21 0.00 0.00 174.62 172.43 1ilf n PRO 81 N 0.40 -1.64 -4.23 7.08 -0.04 -1.26 -5.01 135.00 130.30 1ilf n PRO 81 Ca 0.01 -0.49 -0.27 0.00 -0.04 0.00 0.00 63.50 62.72 1ilf n PRO 81 Cb 0.51 -1.31 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.70 4.63 0.12 3.54 0.15 -1.26 -5.00 113.70 114.18 1ilf s SER 82 Ca 0.23 -0.44 0.16 0.00 0.70 0.00 0.00 55.95 56.60 1ilf s SER 82 Cb -0.04 -0.94 0.72 0.00 -1.71 0.00 0.00 66.02 64.05 1ilf s SER 82 CO 0.20 0.10 1.51 -2.11 1.20 0.00 0.00 173.24 174.13 1ilf n ARG 83 N -0.05 0.08 -0.01 5.44 -4.01 -1.01 -0.33 116.66 116.76 1ilf n ARG 83 Ca -0.10 0.38 -0.10 0.00 -1.04 0.00 0.00 57.85 56.99 1ilf n ARG 83 Cb 0.55 -1.68 -0.04 0.00 -3.04 0.00 0.00 32.46 28.25 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1ilf h GLU 84 N 0.00 0.10 0.00 2.89 3.07 -1.94 -3.30 114.58 115.40 1ilf h GLU 84 Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1ilf h GLU 84 Cb 0.23 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1ilf h GLU 84 CO 0.00 0.07 -1.56 0.66 -1.40 0.00 0.00 179.01 176.78 1ilf n TYR 85 N -5.06 0.00 -3.49 4.33 4.02 -1.14 -4.28 117.16 111.54 1ilf n TYR 85 Ca -0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.66 1ilf n TYR 85 Cb 0.05 -0.30 -0.13 0.00 -0.02 0.00 0.00 39.34 38.95 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 -2.74 -0.31 0.13 -0.72 -7.23 0.55 0.37 120.40 110.45 1ilf s VAL 86 Ca -0.04 -0.19 -0.06 0.00 -1.81 0.00 0.00 61.98 59.88 1ilf s VAL 86 Cb 0.07 -0.72 -0.06 0.00 0.56 0.00 0.00 36.38 36.23 1ilf s VAL 86 CO 0.48 -0.26 0.39 -0.62 -0.31 0.00 0.00 175.10 174.78 1ilf s ASP 87 N 2.31 6.53 0.00 4.85 -1.08 -0.97 -2.41 116.67 125.89 1ilf s ASP 87 Ca 0.07 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1ilf s ASP 87 Cb -0.16 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1ilf s ASP 87 CO -0.15 0.07 0.00 0.18 0.52 0.00 0.00 175.17 175.79 1ilf n LEU 88 N 0.26 0.00 -3.70 -1.34 7.99 -1.26 -4.39 117.00 114.56 1ilf n LEU 88 Ca -0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.78 1ilf n LEU 88 Cb 0.52 -0.01 -0.17 0.00 -0.11 0.00 0.00 43.42 43.65 1ilf n LEU 88 CO 0.47 -0.06 -0.34 -0.70 -1.51 0.00 0.00 177.39 175.25 1ilf s GLU 89 N -0.13 -0.06 0.00 3.23 2.56 -1.26 -4.46 118.70 118.58 1ilf s GLU 89 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.31 1ilf s GLU 89 Cb 0.00 -0.42 0.00 0.00 2.00 0.00 0.00 34.13 35.71 1ilf s GLU 89 CO 0.00 -0.28 0.00 2.89 -0.56 0.00 0.00 175.26 177.31 1ilf n ARG 90 N 4.99 0.00 0.00 4.30 0.00 -1.26 -5.13 116.66 119.56 1ilf n ARG 90 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1ilf n ARG 90 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.96 1ilf n ARG 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ilf n GLU 91 N -1.55 0.00 -0.05 2.89 1.02 -1.26 -5.10 120.64 116.59 1ilf n GLU 91 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1ilf n GLU 91 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilf n ALA 92 N -3.00 -1.03 1.42 0.62 0.00 -1.26 -4.87 120.51 112.39 1ilf n ALA 92 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.21 1ilf n ALA 92 Cb 0.00 -0.03 0.29 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.12 -0.10 3.77 0.00 0.00 -1.26 -4.86 105.19 101.62 1ilf n GLY 93 Ca 0.03 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.80 2.19 -0.11 1.61 -0.14 -1.26 -4.26 119.74 115.96 1ilf s LYS 94 Ca 0.24 -2.30 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 1ilf s LYS 94 Cb 0.12 -1.65 0.02 0.00 -1.68 0.00 0.00 37.83 34.65 1ilf s LYS 94 CO 0.18 -0.36 -0.10 0.14 -0.76 0.00 0.00 175.35 174.44 1ilf s VAL 95 N -2.84 1.19 -0.08 3.17 -7.23 -0.82 -4.85 120.40 108.96 1ilf s VAL 95 Ca 0.14 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1ilf s VAL 95 Cb 0.02 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 1ilf s VAL 95 CO 0.08 0.39 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.50 1ilf s TYR 96 N 1.40 3.04 0.27 2.82 -0.85 -1.26 -0.82 117.35 121.94 1ilf s TYR 96 Ca 0.00 0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 1ilf s TYR 96 Cb -0.13 -1.75 -0.06 0.00 0.38 0.00 0.00 41.96 40.40 1ilf s TYR 96 CO -0.06 0.38 -0.00 -0.48 -1.52 0.00 0.00 175.55 173.87 1ilf s LEU 97 N -0.80 2.26 -0.09 -3.49 0.05 -0.79 -2.30 118.68 113.52 1ilf s LEU 97 Ca 0.12 -1.25 0.01 0.00 0.05 0.00 0.00 54.13 53.06 1ilf s LEU 97 Cb -0.11 -0.39 0.02 0.00 -2.05 0.00 0.00 46.19 43.65 1ilf s LEU 97 CO 0.02 -0.49 -0.09 -0.75 -0.55 0.00 0.00 176.35 174.49 1ilf s LYS 98 N -3.83 1.52 -0.08 1.48 2.20 0.16 -2.13 119.74 119.05 1ilf s LYS 98 Ca 0.31 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.67 1ilf s LYS 98 Cb 0.06 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 1ilf s LYS 98 CO 0.11 -0.14 -0.24 0.00 -0.36 0.00 0.00 175.35 174.73 1ilf s ALA 99 N 1.24 2.20 -0.33 3.13 0.00 -0.55 -4.41 121.76 123.03 1ilf s ALA 99 Ca -0.04 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1ilf s ALA 99 Cb -0.14 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1ilf s ALA 99 CO -0.03 0.34 0.59 -1.25 0.00 0.00 0.00 175.76 175.41 1ilf s PRO 100 N 0.13 3.75 0.33 0.00 0.04 -1.26 -1.64 135.00 136.35 1ilf s PRO 100 Ca -0.12 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.03 1ilf s PRO 100 Cb -0.16 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1ilf s PRO 100 CO 0.07 -0.64 0.08 -1.64 0.04 0.00 0.00 177.00 174.91 1ilf s MET 101 N 2.56 1.68 -0.36 4.56 -1.94 0.73 -4.87 119.30 121.66 1ilf s MET 101 Ca 0.23 -1.95 -0.04 0.00 -1.71 0.00 0.00 55.69 52.21 1ilf s MET 101 Cb -0.15 -0.70 0.07 0.00 2.01 0.00 0.00 34.83 36.06 1ilf s MET 101 CO 0.13 -0.28 0.13 0.42 -0.01 0.00 0.00 175.02 175.42 1ilf s ILE 102 N -3.36 3.48 0.09 2.53 -1.09 -1.26 -0.95 121.20 120.64 1ilf s ILE 102 Ca 0.34 -1.55 0.05 0.00 -2.23 0.00 0.00 60.65 57.26 1ilf s ILE 102 Cb 0.07 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1ilf s ILE 102 CO 0.15 -0.38 -0.00 -0.76 -1.23 0.00 0.00 174.94 172.71 1ilf s LEU 103 N 1.28 3.44 0.00 2.97 1.43 -0.37 -4.86 118.68 122.58 1ilf s LEU 103 Ca 0.01 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1ilf s LEU 103 Cb -0.21 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1ilf s LEU 103 CO -0.01 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.55 1ilf n ASN 104 N 0.55 0.00 -4.00 2.29 2.85 -1.26 0.14 115.26 115.82 1ilf n ASN 104 Ca -0.11 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.07 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 -0.35 3.57 8.20 0.00 -1.26 -4.77 105.19 110.58 1ilf n GLY 105 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.95 0.00 -0.60 1.61 1.01 0.37 -2.09 120.40 116.75 1ilf s VAL 106 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1ilf s VAL 106 Cb -0.05 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1ilf s VAL 106 CO 0.92 0.00 0.99 0.00 0.00 0.00 0.00 175.10 177.00 1ilf s VAL 108 N 4.18 5.43 -0.28 0.00 -7.23 -0.13 0.24 120.40 122.62 1ilf s VAL 108 Ca 0.29 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1ilf s VAL 108 Cb -0.13 -3.49 0.08 0.00 0.56 0.00 0.00 36.38 33.39 1ilf s VAL 108 CO 0.16 0.47 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.78 1ilf s ILE 109 N -1.19 1.74 -0.27 -0.62 -1.09 0.18 -0.19 121.20 119.77 1ilf s ILE 109 Ca 0.22 -1.63 -0.20 0.00 -2.23 0.00 0.00 60.65 56.80 1ilf s ILE 109 Cb -0.13 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1ilf s ILE 109 CO 0.12 -0.32 0.63 0.86 -1.23 0.00 0.00 174.94 175.00 1ilf s TRP 110 N 1.24 3.26 -0.01 3.97 -0.00 -0.65 -1.03 118.94 125.71 1ilf s TRP 110 Ca 0.01 0.74 0.07 0.00 -0.00 0.00 0.00 56.10 56.92 1ilf s TRP 110 Cb -0.19 -2.90 -0.02 0.00 -0.00 0.00 0.00 33.47 30.36 1ilf s TRP 110 CO -0.09 -0.38 -0.23 0.21 -0.00 0.00 0.00 176.95 176.46 1ilf s LYS 111 N 2.55 1.78 -0.22 5.86 2.36 -0.00 -1.48 119.74 130.58 1ilf s LYS 111 Ca 0.26 -0.84 -0.31 0.00 -2.55 0.00 0.00 55.97 52.53 1ilf s LYS 111 Cb -0.15 -1.76 0.16 0.00 -1.05 0.00 0.00 37.83 35.03 1ilf s LYS 111 CO 0.10 0.48 1.22 0.20 1.55 0.00 0.00 175.35 178.89 1ilf s GLY 112 N -0.65 -0.11 0.09 5.54 0.00 -0.91 0.33 107.32 111.61 1ilf s GLY 112 Ca 0.09 2.28 0.04 0.00 0.00 0.00 0.00 44.72 47.12 1ilf s GLY 112 CO -0.00 0.93 0.07 0.66 0.00 0.00 0.00 173.10 174.76 1ilf s TRP 113 N -1.42 3.15 -0.05 1.90 1.48 0.42 -1.89 118.94 122.52 1ilf s TRP 113 Ca 0.06 0.05 0.05 0.00 -1.06 0.00 0.00 56.10 55.20 1ilf s TRP 113 Cb -0.01 -1.59 -0.02 0.00 -1.16 0.00 0.00 33.47 30.69 1ilf s TRP 113 CO -0.04 0.51 -0.18 0.42 -4.06 0.00 0.00 176.95 173.60 1ilf s ILE 114 N -1.41 2.71 -0.09 0.66 1.09 -0.00 -1.83 121.20 122.32 1ilf s ILE 114 Ca 0.29 -0.85 -0.24 0.00 -1.10 0.00 0.00 60.65 58.75 1ilf s ILE 114 Cb -0.12 -2.04 -0.03 0.00 -1.06 0.00 0.00 42.46 39.21 1ilf s ILE 114 CO 0.21 0.58 0.73 1.51 -0.10 0.00 0.00 174.94 177.87 1ilf s ASP 115 N -0.56 6.97 0.00 3.58 1.47 0.14 -1.94 116.67 126.34 1ilf s ASP 115 Ca 0.08 1.17 0.00 0.00 1.18 0.00 0.00 52.55 54.98 1ilf s ASP 115 Cb -0.11 -2.42 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 1ilf s ASP 115 CO 0.01 -0.19 0.50 0.18 0.68 0.00 0.00 175.17 176.35 1ilf n LEU 116 N 4.16 0.47 0.02 2.11 4.77 -1.26 -1.03 117.00 126.23 1ilf n LEU 116 Ca 0.00 -0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 1ilf n LEU 116 Cb 0.51 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ilf n LEU 116 CO 0.47 0.12 -0.05 1.41 -1.33 0.00 0.00 177.39 178.01 1ilf n HIS 117 N -0.10 0.00 1.06 -1.77 8.25 -1.26 -4.79 115.22 116.62 1ilf n HIS 117 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1ilf n HIS 117 Cb 0.12 -0.04 0.34 0.00 1.12 0.00 0.00 29.99 31.53 1ilf n HIS 117 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ilf n ARG 118 N -3.11 0.17 -2.52 -0.41 1.74 -1.25 -4.94 116.66 106.34 1ilf n ARG 118 Ca -0.01 -0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 1ilf n ARG 118 Cb 0.04 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ilf n LEU 119 N -1.33 -1.96 -4.17 0.55 4.77 -0.20 -4.91 117.00 109.74 1ilf n LEU 119 Ca 0.07 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1ilf n LEU 119 Cb 0.33 -2.03 -0.10 0.00 -2.33 0.00 0.00 43.42 39.29 1ilf n LEU 119 CO 0.32 0.02 -0.38 -1.81 -1.33 0.00 0.00 177.39 174.21 1ilf s ASP 120 N -2.64 1.10 0.00 -1.43 1.11 -1.23 -1.58 116.67 112.00 1ilf s ASP 120 Ca 0.11 -1.03 0.00 0.00 0.18 0.00 0.00 52.55 51.81 1ilf s ASP 120 Cb -0.05 0.11 0.00 0.00 1.07 0.00 0.00 42.92 44.05 1ilf s ASP 120 CO 0.13 -0.49 0.00 0.61 1.18 0.00 0.00 175.17 176.60 1ilf n GLY 121 N -0.06 1.92 3.05 0.21 0.00 0.07 0.28 105.19 110.67 1ilf n GLY 121 Ca -0.12 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 4.32 0.32 0.27 1.61 -1.94 -0.76 -0.82 119.30 122.30 1ilf s MET 122 Ca 0.00 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 1ilf s MET 122 Cb 0.00 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 1ilf s MET 122 CO 0.00 -0.06 0.09 0.41 -0.01 0.00 0.00 175.02 175.44 1ilf n GLY 123 N 2.18 3.57 3.61 -0.03 0.00 0.11 -0.44 105.19 114.18 1ilf n GLY 123 Ca -0.18 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.12 3.31 -0.20 0.00 1.43 -0.57 -0.82 118.68 120.71 1ilf s LEU 125 Ca 0.04 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1ilf s LEU 125 Cb -0.01 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.55 1ilf s LEU 125 CO -0.03 0.29 0.37 -1.61 0.23 0.00 0.00 176.35 175.60 1ilf s GLU 126 N -0.36 0.29 0.11 1.70 2.02 -0.20 -4.06 118.70 118.20 1ilf s GLU 126 Ca 0.06 0.79 -0.23 0.00 0.02 0.00 0.00 54.97 55.61 1ilf s GLU 126 Cb -0.12 -0.05 -0.07 0.00 0.10 0.00 0.00 34.13 33.98 1ilf s GLU 126 CO 0.02 -0.40 0.71 -0.59 0.02 0.00 0.00 175.26 175.02 1ilf s PHE 127 N 2.55 3.84 -0.56 1.61 -0.12 -1.26 0.50 117.98 124.54 1ilf s PHE 127 Ca 0.04 1.49 -0.19 0.00 -0.05 0.00 0.00 56.93 58.22 1ilf s PHE 127 Cb -0.13 -2.70 0.09 0.00 -0.63 0.00 0.00 43.02 39.65 1ilf s PHE 127 CO -0.13 0.49 0.67 -0.51 -0.05 0.00 0.00 175.22 175.69 1ilf s ASP 128 N -0.91 6.19 0.63 1.98 1.01 0.14 -4.86 116.67 120.85 1ilf s ASP 128 Ca 0.34 -1.27 0.37 0.00 0.71 0.00 0.00 52.55 52.70 1ilf s ASP 128 Cb -0.22 -2.29 2.08 0.00 1.01 0.00 0.00 42.92 43.51 1ilf s ASP 128 CO 0.23 -1.03 2.28 -0.33 0.21 0.00 0.00 175.17 176.54 1ilf h GLU 129 N 9.11 0.00 -0.10 8.23 5.08 -1.96 -2.18 114.58 132.76 1ilf h GLU 129 Ca -0.29 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1ilf h GLU 129 Cb 1.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1ilf h GLU 129 CO 1.05 0.00 -0.18 1.05 -1.00 0.00 0.00 179.01 179.93 1ilf h GLU 130 N 0.00 -0.24 0.08 2.33 4.11 -1.96 0.10 114.58 119.01 1ilf h GLU 130 Ca 0.01 0.02 -0.27 0.00 0.07 0.00 0.00 59.36 59.18 1ilf h GLU 130 Cb 0.08 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ilf h GLU 130 CO -0.00 -0.16 -1.32 -0.09 0.07 0.00 0.00 179.01 177.51 1ilf h ARG 131 N -0.25 0.18 -0.82 1.06 2.43 -1.90 -3.28 114.38 111.81 1ilf h ARG 131 Ca 0.09 -0.31 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1ilf h ARG 131 Cb 0.37 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 1ilf h ARG 131 CO -0.24 1.08 0.47 0.00 -1.51 0.00 0.00 179.97 179.76 1ilf h ALA 132 N 0.68 1.16 -0.28 2.80 0.00 -1.11 -1.46 119.26 121.05 1ilf h ALA 132 Ca -0.15 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ilf h ALA 132 Cb 1.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1ilf h ALA 132 CO 0.16 0.10 -0.37 -0.56 0.00 0.00 0.00 179.25 178.58 1ilf h GLN 133 N 0.79 0.63 -0.23 0.00 3.07 -0.90 -2.91 115.11 115.56 1ilf h GLN 133 Ca 0.39 -0.31 -0.05 0.00 0.09 0.00 0.00 58.65 58.77 1ilf h GLN 133 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1ilf h GLN 133 CO -0.24 0.91 -0.08 1.96 0.09 0.00 0.00 178.83 181.47 1ilf h GLN 134 N 0.53 0.36 -0.99 0.06 4.20 -1.36 -1.89 115.11 116.01 1ilf h GLN 134 Ca 0.05 -0.08 0.22 0.00 0.06 0.00 0.00 58.65 58.90 1ilf h GLN 134 Cb 0.89 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.52 1ilf h GLN 134 CO 0.08 0.45 0.62 0.93 -0.67 0.00 0.00 178.83 180.24 1ilf h GLU 135 N 0.34 0.57 -0.32 1.46 4.39 -1.10 0.85 114.58 120.78 1ilf h GLU 135 Ca 0.07 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1ilf h GLU 135 Cb 0.36 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1ilf h GLU 135 CO 0.02 0.38 -0.40 0.22 -1.16 0.00 0.00 179.01 178.06 1ilf h ASP 136 N 0.59 0.85 -0.03 1.42 1.82 -1.45 0.36 116.42 119.97 1ilf h ASP 136 Ca 0.57 -0.39 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1ilf h ASP 136 Cb 1.13 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 1ilf h ASP 136 CO -0.33 1.14 -0.01 0.00 -1.61 0.00 0.00 179.24 178.43 1ilf h ALA 137 N 0.89 0.05 -0.27 -0.78 0.00 0.54 -0.02 119.26 119.68 1ilf h ALA 137 Ca 0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1ilf h ALA 137 Cb 0.97 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ilf h ALA 137 CO 0.09 -0.26 -0.49 -0.07 0.00 0.00 0.00 179.25 178.53 1ilf h LEU 138 N -0.29 0.80 -1.37 0.00 3.38 0.16 -2.71 115.31 115.28 1ilf h LEU 138 Ca 0.01 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1ilf h LEU 138 Cb 0.39 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ilf h LEU 138 CO 0.00 1.15 -0.04 0.00 0.09 0.00 0.00 178.44 179.64 1ilf h ALA 139 N 0.87 1.01 -3.26 1.53 0.00 -0.29 -3.38 119.26 115.74 1ilf h ALA 139 Ca 0.03 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1ilf h ALA 139 Cb 1.05 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 1ilf h ALA 139 CO 0.10 0.05 -0.76 -0.65 0.00 0.00 0.00 179.25 177.99 1ilf s GLN 140 N -3.66 0.85 0.00 0.00 -1.52 -0.02 -4.83 119.66 110.48 1ilf s GLN 140 Ca 0.01 -0.99 0.27 0.00 -1.95 0.00 0.00 55.36 52.70 1ilf s GLN 140 Cb 0.09 -2.15 0.79 0.00 -0.22 0.00 0.00 33.01 31.52 1ilf s GLN 140 CO 0.56 -0.88 1.60 1.04 -0.25 0.00 0.00 175.29 177.36