#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 3.29 -0.30 0.03 0.04 -1.26 -4.97 135.00 131.83 1ilf s PRO 2 Ca 0.00 0.62 0.08 0.00 0.04 0.00 0.00 61.00 61.74 1ilf s PRO 2 Cb 0.00 -2.06 0.67 0.00 0.04 0.00 0.00 34.50 33.14 1ilf s PRO 2 CO 0.00 -0.76 1.70 2.89 0.04 0.00 0.00 177.00 180.87 1ilf n ARG 3 N -2.85 3.38 -4.84 4.56 -4.01 -1.26 -4.90 116.66 106.74 1ilf n ARG 3 Ca 0.06 -2.73 -0.32 0.00 -1.04 0.00 0.00 57.85 53.82 1ilf n ARG 3 Cb 0.55 -2.12 -0.13 0.00 -3.04 0.00 0.00 32.46 27.72 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 -2.72 2.93 0.38 8.89 -7.23 -1.26 -4.57 120.40 116.81 1ilf s VAL 4 Ca 0.49 -0.89 -0.17 0.00 -1.81 0.00 0.00 61.98 59.60 1ilf s VAL 4 Cb 0.39 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 1ilf s VAL 4 CO 0.12 0.51 0.82 0.68 -0.31 0.00 0.00 175.10 176.92 1ilf s VAL 5 N -0.79 4.59 0.20 1.32 -7.23 -1.22 -4.96 120.40 112.31 1ilf s VAL 5 Ca 0.13 1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 61.32 1ilf s VAL 5 Cb -0.11 -3.62 0.31 0.00 0.56 0.00 0.00 36.38 33.52 1ilf s VAL 5 CO 0.02 -0.29 1.18 -2.65 -0.31 0.00 0.00 175.10 173.05 1ilf n PRO 6 N -0.62 -0.09 -3.74 4.82 -0.01 -1.26 -2.77 135.00 131.33 1ilf n PRO 6 Ca 0.05 1.17 -0.29 0.00 -0.01 0.00 0.00 63.50 64.42 1ilf n PRO 6 Cb 0.54 -1.75 -0.13 0.00 -0.01 0.00 0.00 33.50 32.15 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 1ilf s ASP 7 N -5.21 3.70 0.19 2.55 1.01 -1.26 -4.96 116.67 112.69 1ilf s ASP 7 Ca -0.11 -2.91 -0.12 0.00 0.71 0.00 0.00 52.55 50.12 1ilf s ASP 7 Cb 0.19 -1.15 0.15 0.00 1.01 0.00 0.00 42.92 43.12 1ilf s ASP 7 CO 0.58 -0.22 1.84 0.06 0.21 0.00 0.00 175.17 177.63 1ilf h GLN 8 N 6.38 0.74 0.00 8.23 3.07 -1.79 0.14 115.11 131.88 1ilf h GLN 8 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1ilf h GLN 8 Cb 0.89 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 28.28 1ilf h GLN 8 CO 0.54 0.49 -0.12 0.07 0.09 0.00 0.00 178.83 179.89 1ilf h ARG 9 N 0.76 0.00 -0.19 0.06 0.11 -1.92 -0.92 114.38 112.28 1ilf h ARG 9 Ca 0.25 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.27 1ilf h ARG 9 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1ilf h ARG 9 CO -0.10 0.12 -0.14 0.77 0.10 0.00 0.00 179.97 180.73 1ilf h SER 10 N 0.00 0.29 0.11 0.08 0.02 -1.14 0.48 113.55 113.39 1ilf h SER 10 Ca -0.00 -0.07 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 1ilf h SER 10 Cb 0.36 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ilf h SER 10 CO 0.02 0.46 -1.19 0.11 -1.14 0.00 0.00 176.83 175.08 1ilf h LYS 11 N 0.29 0.23 0.00 3.45 1.79 -0.95 0.23 116.57 121.61 1ilf h LYS 11 Ca 0.06 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1ilf h LYS 11 Cb 0.42 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1ilf h LYS 11 CO 0.03 1.19 -0.01 0.35 -1.08 0.00 0.00 179.45 179.92 1ilf h PHE 12 N -0.40 0.00 0.00 -1.35 3.04 -1.11 0.53 116.94 117.65 1ilf h PHE 12 Ca -0.25 0.00 -0.37 0.00 3.98 0.00 0.00 57.97 61.33 1ilf h PHE 12 Cb 1.67 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.11 1ilf h PHE 12 CO 0.15 0.01 -2.38 0.39 -2.02 0.00 0.00 178.31 174.46 1ilf n GLU 13 N -3.13 0.69 -0.09 1.11 -0.58 0.17 -4.34 120.64 114.46 1ilf n GLU 13 Ca -0.01 0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1ilf n GLU 13 Cb 0.21 -1.53 -0.16 0.00 -0.57 0.00 0.00 31.44 29.40 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ilf n ASN 14 N -2.79 0.01 -4.75 1.62 2.85 0.82 -4.91 115.26 108.11 1ilf n ASN 14 Ca -0.34 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.73 1ilf n ASN 14 Cb 1.15 1.12 -0.02 0.00 1.24 0.00 0.00 39.78 43.26 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 -2.63 4.22 0.00 1.20 0.41 0.18 -4.90 118.70 117.18 1ilf s GLU 15 Ca -0.10 2.41 0.00 0.00 -0.41 0.00 0.00 54.97 56.87 1ilf s GLU 15 Cb 0.07 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1ilf s GLU 15 CO 0.84 -0.47 0.51 -0.85 -0.49 0.00 0.00 175.26 174.81 1ilf n GLU 16 N 1.85 0.00 -0.35 1.61 0.00 -1.26 0.41 120.64 122.90 1ilf n GLU 16 Ca 0.06 0.08 0.13 0.00 0.00 0.00 0.00 57.16 57.42 1ilf n GLU 16 Cb 0.39 -1.02 0.32 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 1.04 -0.01 -1.84 3.04 -1.97 1.24 116.94 118.46 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 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.19 1ilf h PHE 17 CO 0.03 0.26 -0.10 0.35 -2.02 0.00 0.00 178.31 176.84 1ilf h PHE 18 N 0.78 0.01 0.00 0.41 3.04 -1.90 0.55 116.94 119.82 1ilf h PHE 18 Ca 0.56 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.51 1ilf h PHE 18 Cb 0.86 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1ilf h PHE 18 CO -0.00 0.11 -0.10 0.00 -2.02 0.00 0.00 178.31 176.30 1ilf h ARG 19 N 0.01 0.00 -1.41 1.11 2.47 0.61 0.53 114.38 117.69 1ilf h ARG 19 Ca 0.00 0.00 0.41 0.00 -1.26 0.00 0.00 59.98 59.13 1ilf h ARG 19 Cb 0.19 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.45 1ilf h ARG 19 CO 0.01 0.00 1.01 0.87 0.56 0.00 0.00 179.97 182.42 1ilf h LYS 20 N -0.79 0.01 0.12 0.04 1.57 0.84 1.08 116.57 119.43 1ilf h LYS 20 Ca 0.00 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1ilf h LYS 20 Cb 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1ilf h LYS 20 CO 0.00 0.01 -1.93 -0.07 -0.57 0.00 0.00 179.45 176.89 1ilf h LEU 21 N 0.01 0.41 -0.92 2.94 3.38 0.01 -3.32 115.31 117.82 1ilf h LEU 21 Ca 0.68 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ilf h LEU 21 Cb 2.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.30 1ilf h LEU 21 CO -0.02 1.77 0.24 -0.24 0.09 0.00 0.00 178.44 180.27 1ilf n SER 22 N -3.46 0.36 -2.16 -0.43 2.88 0.36 -2.17 113.62 109.00 1ilf n SER 22 Ca -0.29 0.58 -0.01 0.00 -1.33 0.00 0.00 58.87 57.81 1ilf n SER 22 Cb 1.05 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1ilf n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ilf n ARG 23 N -2.04 0.90 -4.28 -1.46 5.12 -0.45 -3.78 116.66 110.65 1ilf n ARG 23 Ca -0.01 -0.17 -0.35 0.00 -1.93 0.00 0.00 57.85 55.39 1ilf n ARG 23 Cb 0.26 -0.02 -0.10 0.00 -1.16 0.00 0.00 32.46 31.45 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 -2.22 3.27 0.00 5.56 -1.05 -1.26 -2.03 118.70 120.96 1ilf s GLU 24 Ca 0.03 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1ilf s GLU 24 Cb -0.00 -2.90 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 1ilf s GLU 24 CO 0.02 0.58 0.00 0.00 0.95 0.00 0.00 175.26 176.81 1ilf s GLU 26 N -1.78 4.41 0.34 0.00 2.02 -1.26 -0.04 118.70 122.39 1ilf s GLU 26 Ca 0.00 0.90 0.09 0.00 0.02 0.00 0.00 54.97 55.99 1ilf s GLU 26 Cb 0.00 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.69 1ilf s GLU 26 CO 0.00 -0.01 -0.10 0.96 0.02 0.00 0.00 175.26 176.13 1ilf s ILE 27 N 1.05 2.22 0.23 -1.63 -4.36 -0.84 -1.69 121.20 116.18 1ilf s ILE 27 Ca 0.38 -2.21 -0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1ilf s ILE 27 Cb -0.18 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 1ilf s ILE 27 CO 0.17 -0.21 0.31 -1.59 0.24 0.00 0.00 174.94 173.86 1ilf s LYS 28 N -3.61 1.42 0.12 0.37 -2.85 -0.60 -1.40 119.74 113.19 1ilf s LYS 28 Ca 0.32 -1.48 -0.29 0.00 -1.00 0.00 0.00 55.97 53.52 1ilf s LYS 28 Cb 0.02 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.10 1ilf s LYS 28 CO 0.16 -0.54 0.92 -0.47 0.10 0.00 0.00 175.35 175.53 1ilf s TYR 29 N -4.00 3.83 -0.30 1.78 5.04 -0.31 0.46 117.35 123.86 1ilf s TYR 29 Ca 0.31 1.76 -0.04 0.00 -2.44 0.00 0.00 57.07 56.67 1ilf s TYR 29 Cb 0.03 -2.99 0.19 0.00 0.35 0.00 0.00 41.96 39.53 1ilf s TYR 29 CO 0.12 0.27 0.82 0.99 -1.34 0.00 0.00 175.55 176.41 1ilf s THR 30 N -0.25 -0.64 0.17 4.34 2.01 -1.13 -4.62 115.64 115.51 1ilf s THR 30 Ca 0.44 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1ilf s THR 30 Cb -0.23 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1ilf s THR 30 CO 0.29 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1ilf n GLY 31 N 5.32 -1.68 0.05 4.40 0.00 -1.26 -3.87 105.19 108.15 1ilf n GLY 31 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.96 0.00 0.90 1.61 -1.74 -1.26 -4.77 117.46 109.24 1ilf n PHE 32 Ca 0.00 -0.17 0.12 0.00 -0.56 0.00 0.00 57.45 56.85 1ilf n PHE 32 Cb 0.00 -0.02 0.55 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.19 0.02 0.14 3.97 1.85 -1.26 -3.73 116.66 117.46 1ilf n ARG 33 Ca 0.01 0.06 0.05 0.00 -1.00 0.00 0.00 57.85 56.97 1ilf n ARG 33 Cb 0.46 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.66 1ilf n ARG 33 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1ilf n ASP 34 N -1.49 0.27 0.00 2.89 2.03 -1.26 -3.25 116.55 115.74 1ilf n ASP 34 Ca 0.06 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1ilf n ASP 34 Cb 0.30 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.93 0.00 -3.20 -0.67 3.00 -1.24 -4.94 116.66 107.67 1ilf n ARG 35 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.76 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 -2.38 3.78 0.30 5.56 -0.04 -1.24 -4.89 135.00 136.10 1ilf n PRO 36 Ca 0.00 -4.56 -0.17 0.00 -0.04 0.00 0.00 63.50 58.74 1ilf n PRO 36 Cb 0.00 -2.46 -0.08 0.00 -0.04 0.00 0.00 33.50 30.92 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 5.43 -0.75 -0.33 0.54 2.76 -1.88 1.14 115.15 122.06 1ilf h HIS 37 Ca 0.19 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.45 1ilf h HIS 37 Cb 0.68 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1ilf h HIS 37 CO 0.89 -0.45 0.38 0.93 -1.30 0.00 0.00 177.93 178.38 1ilf h GLU 38 N -0.75 0.00 0.13 5.26 5.08 -1.91 0.66 114.58 123.05 1ilf h GLU 38 Ca -0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 1ilf h GLU 38 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ilf h GLU 38 CO 0.09 0.00 -1.66 1.49 -1.00 0.00 0.00 179.01 177.93 1ilf h GLU 39 N 0.00 0.28 -0.32 2.33 4.81 -1.75 -3.26 114.58 116.67 1ilf h GLU 39 Ca 0.16 -0.48 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1ilf h GLU 39 Cb 0.91 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1ilf h GLU 39 CO -0.00 1.15 0.41 0.00 -0.73 0.00 0.00 179.01 179.84 1ilf h ARG 40 N 0.08 0.00 -0.69 1.92 2.47 0.73 0.17 114.38 119.06 1ilf h ARG 40 Ca -0.30 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.49 1ilf h ARG 40 Cb 2.04 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 30.30 1ilf h ARG 40 CO 0.15 0.00 0.38 -0.56 0.56 0.00 0.00 179.97 180.50 1ilf h GLN 41 N 0.00 0.66 0.01 0.04 -0.00 -1.29 1.49 115.11 116.02 1ilf h GLN 41 Ca 0.15 -0.04 -0.26 0.00 -0.00 0.00 0.00 58.65 58.50 1ilf h GLN 41 Cb 0.98 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.48 28.27 1ilf h GLN 41 CO -0.00 0.44 -1.39 1.15 -0.00 0.00 0.00 178.83 179.02 1ilf h THR 42 N 0.68 1.25 -0.36 1.86 2.02 -0.96 -2.58 112.91 114.81 1ilf h THR 42 Ca 0.32 -3.02 -0.08 0.00 0.77 0.00 0.00 66.41 64.40 1ilf h THR 42 Cb 0.24 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1ilf h THR 42 CO -0.21 0.73 -0.10 0.03 0.37 0.00 0.00 175.52 176.35 1ilf h ARG 43 N 0.01 0.62 0.11 6.66 -0.00 -0.18 0.94 114.38 122.54 1ilf h ARG 43 Ca -0.16 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.98 59.13 1ilf h ARG 43 Cb 1.91 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.82 1ilf h ARG 43 CO 0.11 0.71 -0.05 0.35 0.00 0.00 0.00 179.97 181.09 1ilf h PHE 44 N 0.57 -0.14 -0.07 3.04 3.57 0.20 0.12 116.94 124.23 1ilf h PHE 44 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1ilf h PHE 44 Cb 0.51 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1ilf h PHE 44 CO 0.02 0.36 0.05 0.37 -2.23 0.00 0.00 178.31 176.89 1ilf h GLN 45 N -0.78 0.00 0.00 1.11 4.15 -1.32 0.35 115.11 118.62 1ilf h GLN 45 Ca -0.02 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 1ilf h GLN 45 Cb 0.56 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1ilf h GLN 45 CO 0.02 0.00 -0.48 -0.97 -1.93 0.00 0.00 178.83 175.48 1ilf h ASN 46 N 0.00 0.00 0.73 -0.69 -1.24 1.00 -2.87 115.58 112.51 1ilf h ASN 46 Ca 0.04 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 1ilf h ASN 46 Cb 0.14 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1ilf h ASN 46 CO -0.00 0.48 -0.71 0.00 -1.29 0.00 0.00 177.43 175.91 1ilf h ALA 47 N 1.52 0.82 0.00 1.57 0.00 0.23 -2.18 119.26 121.23 1ilf h ALA 47 Ca -0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1ilf h ALA 47 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ilf h ALA 47 CO 0.06 0.88 -0.05 0.00 0.00 0.00 0.00 179.25 180.15 1ilf h ARG 49 N 0.00 0.00 -0.31 0.00 2.43 -1.39 -2.90 114.38 112.22 1ilf h ARG 49 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ilf h ARG 49 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1ilf h ARG 49 CO 0.01 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 178.68 1ilf n ASP 50 N -3.38 3.25 -2.11 -3.80 9.92 0.49 -4.01 116.55 116.90 1ilf n ASP 50 Ca 0.01 -1.97 -0.18 0.00 -0.53 0.00 0.00 54.79 52.12 1ilf n ASP 50 Cb 0.63 -0.20 -0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1ilf n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ilf n GLY 51 N 1.46 -0.36 3.21 0.44 0.00 -0.27 -4.92 105.19 104.74 1ilf n GLY 51 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.98 0.33 0.17 1.61 0.52 -0.70 0.41 118.95 116.30 1ilf s ARG 52 Ca 0.04 0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 55.95 1ilf s ARG 52 Cb -0.02 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.43 1ilf s ARG 52 CO 0.05 -0.18 0.22 -1.12 0.02 0.00 0.00 175.30 174.29 1ilf s SER 53 N 1.60 0.11 -0.22 0.23 0.01 -1.11 -4.28 113.70 110.04 1ilf s SER 53 Ca -0.08 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.17 1ilf s SER 53 Cb -0.10 0.40 0.05 0.00 0.21 0.00 0.00 66.02 66.59 1ilf s SER 53 CO -0.12 -0.86 -0.13 -1.61 0.41 0.00 0.00 173.24 170.93 1ilf s GLU 54 N -4.02 2.33 -0.04 12.44 2.02 -1.26 -2.26 118.70 127.91 1ilf s GLU 54 Ca 0.22 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 54.19 1ilf s GLU 54 Cb 0.04 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1ilf s GLU 54 CO 0.03 -0.45 -0.18 0.42 0.02 0.00 0.00 175.26 175.10 1ilf s ILE 55 N 1.24 1.46 0.34 -1.63 -1.09 -0.75 -2.85 121.20 117.91 1ilf s ILE 55 Ca -0.03 -0.74 -0.08 0.00 -2.23 0.00 0.00 60.65 57.56 1ilf s ILE 55 Cb -0.17 -1.24 -0.06 0.00 -1.58 0.00 0.00 42.46 39.41 1ilf s ILE 55 CO -0.08 0.42 0.65 0.00 -1.23 0.00 0.00 174.94 174.70 1ilf s ALA 56 N -0.08 3.49 -0.21 9.38 0.00 0.17 -1.67 121.76 132.84 1ilf s ALA 56 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1ilf s ALA 56 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1ilf s ALA 56 CO 0.02 0.16 0.03 0.12 0.00 0.00 0.00 175.76 176.08 1ilf s PHE 57 N -2.18 3.07 0.12 0.00 5.36 0.13 -1.55 117.98 122.92 1ilf s PHE 57 Ca 0.48 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.99 1ilf s PHE 57 Cb -0.11 -2.13 -0.14 0.00 -0.34 0.00 0.00 43.02 40.30 1ilf s PHE 57 CO 0.29 -0.25 1.26 0.28 -1.46 0.00 0.00 175.22 175.34 1ilf h VAL 58 N 5.40 1.45 -0.53 3.12 2.07 -1.64 0.14 116.25 126.27 1ilf h VAL 58 Ca -0.37 -2.67 0.09 0.00 0.82 0.00 0.00 66.70 64.57 1ilf h VAL 58 Cb 1.18 2.60 -0.10 0.00 -1.52 0.00 0.00 31.29 33.44 1ilf h VAL 58 CO 0.61 0.79 -0.41 0.00 0.02 0.00 0.00 177.57 178.58 1ilf h ALA 59 N 0.72 -0.29 0.00 1.67 0.00 -1.95 -3.12 119.26 116.29 1ilf h ALA 59 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ilf h ALA 59 Cb 1.70 0.89 0.00 0.00 0.00 0.00 0.00 17.79 20.38 1ilf h ALA 59 CO 0.17 -0.80 -0.06 0.25 0.00 0.00 0.00 179.25 178.81 1ilf n THR 60 N -5.41 1.26 -3.57 0.00 -2.24 -1.26 -5.02 114.28 98.04 1ilf n THR 60 Ca 0.02 -1.45 -0.25 0.00 -2.27 0.00 0.00 64.05 60.10 1ilf n THR 60 Cb 0.35 0.17 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.87 -0.88 3.20 3.38 0.00 0.43 -5.00 105.19 105.45 1ilf n GLY 61 Ca 0.08 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.50 1.94 0.31 2.61 -1.32 -0.73 -4.88 115.64 110.07 1ilf s THR 62 Ca 0.36 -0.96 -0.27 0.00 -1.21 0.00 0.00 61.69 59.62 1ilf s THR 62 Cb -0.10 -1.68 -0.10 0.00 -1.51 0.00 0.00 72.50 69.11 1ilf s THR 62 CO 0.82 0.54 0.95 0.21 -2.21 0.00 0.00 174.62 174.92 1ilf s ASN 63 N 0.29 7.38 -0.08 8.08 3.84 -1.26 0.17 114.94 133.35 1ilf s ASN 63 Ca -0.16 1.86 -0.03 0.00 0.21 0.00 0.00 52.86 54.74 1ilf s ASN 63 Cb -0.17 -2.58 0.04 0.00 -0.55 0.00 0.00 41.25 37.99 1ilf s ASN 63 CO 0.07 -0.04 0.15 -0.76 -2.79 0.00 0.00 177.10 173.74 1ilf s LEU 64 N -1.93 0.09 -0.30 3.21 1.43 -0.67 -4.93 118.68 115.58 1ilf s LEU 64 Ca 0.49 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1ilf s LEU 64 Cb -0.20 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 1ilf s LEU 64 CO 0.25 -0.23 0.21 -0.44 0.23 0.00 0.00 176.35 176.37 1ilf s SER 65 N 2.07 6.01 0.14 2.29 0.01 -1.26 -1.81 113.70 121.15 1ilf s SER 65 Ca 0.01 -0.19 0.10 0.00 1.31 0.00 0.00 55.95 57.18 1ilf s SER 65 Cb -0.12 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1ilf s SER 65 CO -0.06 -0.13 -0.24 -0.76 0.41 0.00 0.00 173.24 172.46 1ilf s LEU 66 N 1.74 2.35 -0.30 2.44 1.43 -0.96 -5.05 118.68 120.33 1ilf s LEU 66 Ca 0.07 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1ilf s LEU 66 Cb -0.17 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.02 1ilf s LEU 66 CO 0.11 0.13 -0.02 -1.10 0.23 0.00 0.00 176.35 175.69 1ilf s GLN 67 N -2.23 1.81 -0.26 1.70 -0.21 -1.26 -2.76 119.66 116.46 1ilf s GLN 67 Ca 0.14 -1.64 -0.06 0.00 0.02 0.00 0.00 55.36 53.82 1ilf s GLN 67 Cb -0.09 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.85 1ilf s GLN 67 CO 0.07 -0.78 0.05 -0.59 -2.12 0.00 0.00 175.29 171.92 1ilf s PHE 68 N 0.99 3.08 0.06 0.91 -0.12 0.16 -4.13 117.98 118.94 1ilf s PHE 68 Ca 0.02 -0.80 -0.26 0.00 -0.05 0.00 0.00 56.93 55.85 1ilf s PHE 68 Cb -0.19 -2.21 0.07 0.00 -0.63 0.00 0.00 43.02 40.05 1ilf s PHE 68 CO -0.07 -0.50 0.61 -0.06 -0.05 0.00 0.00 175.22 175.15 1ilf s PHE 69 N 1.53 -0.56 -0.25 3.49 0.08 -1.26 -4.26 117.98 116.75 1ilf s PHE 69 Ca 0.04 0.66 -0.40 0.00 0.12 0.00 0.00 56.93 57.35 1ilf s PHE 69 Cb -0.16 0.45 -0.16 0.00 -0.57 0.00 0.00 43.02 42.59 1ilf s PHE 69 CO 0.01 -0.71 1.69 -2.30 -0.10 0.00 0.00 175.22 173.81 1ilf n PRO 70 N 0.27 1.11 0.21 0.24 -0.02 -1.26 -4.80 135.00 130.75 1ilf n PRO 70 Ca -0.18 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 61.85 1ilf n PRO 70 Cb 0.61 -2.08 0.75 0.00 -0.02 0.00 0.00 33.50 32.76 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 6.83 1.00 -0.62 3.55 0.00 -2.00 -2.65 119.26 125.38 1ilf h ALA 71 Ca -0.47 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.04 1ilf h ALA 71 Cb 1.32 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.93 1ilf h ALA 71 CO 0.94 0.00 0.53 0.43 0.00 0.00 0.00 179.25 181.15 1ilf n SER 72 N -2.54 6.28 -4.86 0.00 7.64 -1.26 -4.93 113.62 113.95 1ilf n SER 72 Ca -0.01 -3.23 -0.37 0.00 1.01 0.00 0.00 58.87 56.27 1ilf n SER 72 Cb 0.10 -0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 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 -2.33 3.65 0.00 1.43 0.52 -1.00 -4.94 118.94 116.27 1ilf s TRP 73 Ca 0.40 0.71 0.00 0.00 0.02 0.00 0.00 56.10 57.23 1ilf s TRP 73 Cb 0.31 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1ilf s TRP 73 CO 0.01 0.70 0.00 1.04 0.02 0.00 0.00 176.95 178.72 1ilf n GLN 74 N 1.92 0.00 -0.15 4.98 1.13 -1.26 -4.93 117.38 119.07 1ilf n GLN 74 Ca -0.18 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 54.93 1ilf n GLN 74 Cb 0.54 -0.10 0.07 0.00 0.11 0.00 0.00 30.24 30.86 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 0.91 2.86 2.52 1.08 0.00 -1.26 -4.88 105.19 106.41 1ilf n GLY 75 Ca 0.00 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.81 4.00 -0.14 1.61 -0.58 -1.26 -4.78 120.64 118.68 1ilf n GLU 76 Ca 0.08 -3.01 -0.14 0.00 -0.42 0.00 0.00 57.16 53.67 1ilf n GLU 76 Cb 0.57 -2.79 -0.10 0.00 -0.57 0.00 0.00 31.44 28.55 1ilf n GLU 76 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ilf h GLN 77 N 5.04 -0.38 -6.57 3.49 1.08 -2.02 -3.42 115.11 112.34 1ilf h GLN 77 Ca 0.69 0.03 -0.58 0.00 -1.45 0.00 0.00 58.65 57.34 1ilf h GLN 77 Cb 0.38 0.09 0.17 0.00 -0.05 0.00 0.00 27.48 28.06 1ilf h GLN 77 CO 1.64 -0.25 -0.26 0.54 -0.95 0.00 0.00 178.83 179.54 1ilf n ARG 78 N -5.38 0.63 -2.89 1.46 1.74 -1.26 -4.91 116.66 106.06 1ilf n ARG 78 Ca -0.03 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 1ilf n ARG 78 Cb 0.34 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ilf s GLN 79 N -2.18 4.13 -0.27 5.56 -0.21 -1.26 -5.02 119.66 120.41 1ilf s GLN 79 Ca 0.70 0.86 0.01 0.00 0.02 0.00 0.00 55.36 56.95 1ilf s GLN 79 Cb -0.46 -3.67 0.07 0.00 1.00 0.00 0.00 33.01 29.96 1ilf s GLN 79 CO 0.53 -0.57 -0.02 0.99 -2.12 0.00 0.00 175.29 174.10 1ilf s THR 80 N 2.90 1.66 -0.98 -0.19 2.01 -1.26 -4.96 115.64 114.82 1ilf s THR 80 Ca 0.35 -1.50 -0.24 0.00 0.31 0.00 0.00 61.69 60.61 1ilf s THR 80 Cb -0.15 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.40 1ilf s THR 80 CO 0.09 -0.26 1.51 -2.16 -0.69 0.00 0.00 174.62 173.11 1ilf s PRO 81 N 1.30 3.41 0.28 4.92 0.04 -1.26 -4.84 135.00 138.85 1ilf s PRO 81 Ca -0.01 -0.92 -0.18 0.00 0.04 0.00 0.00 61.00 59.93 1ilf s PRO 81 Cb -0.19 -5.23 -0.09 0.00 0.04 0.00 0.00 34.50 29.04 1ilf s PRO 81 CO -0.09 -2.38 0.75 -1.12 0.04 0.00 0.00 177.00 174.21 1ilf s SER 82 N 5.36 6.95 0.00 6.66 0.01 -1.26 -4.91 113.70 126.52 1ilf s SER 82 Ca 0.49 1.40 0.14 0.00 1.31 0.00 0.00 55.95 59.29 1ilf s SER 82 Cb -0.02 -2.42 0.86 0.00 0.21 0.00 0.00 66.02 64.66 1ilf s SER 82 CO -0.07 -0.09 1.34 -2.11 0.41 0.00 0.00 173.24 172.71 1ilf n ARG 83 N 0.18 0.67 0.05 12.44 -4.01 -1.07 -0.28 116.66 124.64 1ilf n ARG 83 Ca 0.01 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.66 1ilf n ARG 83 Cb 0.52 -1.34 -0.06 0.00 -3.04 0.00 0.00 32.46 28.54 1ilf n ARG 83 CO 0.00 0.00 0.00 1.05 -3.04 0.00 0.00 177.63 175.64 1ilf h GLU 84 N 0.00 0.53 0.00 2.89 4.11 -1.99 -3.39 114.58 116.73 1ilf h GLU 84 Ca 0.00 -0.55 -0.11 0.00 0.07 0.00 0.00 59.36 58.77 1ilf h GLU 84 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ilf h GLU 84 CO 0.00 1.18 -1.37 0.66 0.07 0.00 0.00 179.01 179.56 1ilf n TYR 85 N -3.79 0.00 -4.06 2.06 4.02 -1.11 -4.86 117.16 109.41 1ilf n TYR 85 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.49 1ilf n TYR 85 Cb 0.84 -0.24 -0.15 0.00 -0.02 0.00 0.00 39.34 39.77 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 -2.12 2.20 0.08 -0.72 -7.23 0.61 0.42 120.40 113.63 1ilf s VAL 86 Ca -0.09 -1.74 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1ilf s VAL 86 Cb 0.03 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 1ilf s VAL 86 CO 0.13 -0.11 -0.23 -0.62 -0.31 0.00 0.00 175.10 173.95 1ilf s ASP 87 N 1.07 3.50 -0.13 4.85 2.15 -1.03 -2.61 116.67 124.47 1ilf s ASP 87 Ca -0.06 -0.58 -0.04 0.00 0.43 0.00 0.00 52.55 52.30 1ilf s ASP 87 Cb -0.20 -0.40 -0.06 0.00 -0.30 0.00 0.00 42.92 41.95 1ilf s ASP 87 CO -0.05 0.22 -0.15 0.18 -0.17 0.00 0.00 175.17 175.20 1ilf n LEU 88 N 1.33 1.67 -4.71 -1.34 4.32 -1.26 -3.32 117.00 113.69 1ilf n LEU 88 Ca -0.17 0.08 -0.35 0.00 -0.02 0.00 0.00 56.01 55.55 1ilf n LEU 88 Cb 0.52 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.84 1ilf n LEU 88 CO 0.25 0.43 -0.18 -0.70 -1.22 0.00 0.00 177.39 175.97 1ilf s GLU 89 N -2.24 4.16 0.00 3.23 -6.30 -1.26 -4.60 118.70 111.69 1ilf s GLU 89 Ca -0.18 -0.23 0.00 0.00 -2.50 0.00 0.00 54.97 52.07 1ilf s GLU 89 Cb 0.06 -3.45 0.00 0.00 0.00 0.00 0.00 34.13 30.74 1ilf s GLU 89 CO 0.25 0.24 0.00 2.89 0.02 0.00 0.00 175.26 178.66 1ilf n ARG 90 N 3.70 0.00 0.00 4.30 -4.01 -1.26 -5.11 116.66 114.28 1ilf n ARG 90 Ca -0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 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 0.39 -3.04 0.00 0.00 177.63 174.98 1ilf n GLU 91 N 0.00 0.00 -0.45 2.89 1.02 -1.26 -5.03 120.64 117.81 1ilf n GLU 91 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1ilf n GLU 91 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.61 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 -2.15 -1.36 0.62 0.00 -1.26 -4.83 120.51 108.53 1ilf n ALA 92 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 53.44 51.89 1ilf n ALA 92 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 2.22 4.34 3.33 0.00 0.00 -1.26 -4.88 105.19 108.95 1ilf n GLY 93 Ca 0.07 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.79 1.72 -0.13 1.61 -0.14 -1.26 -4.32 119.74 115.43 1ilf s LYS 94 Ca 0.53 -2.00 -0.01 0.00 -1.36 0.00 0.00 55.97 53.13 1ilf s LYS 94 Cb 0.36 0.06 0.03 0.00 -1.68 0.00 0.00 37.83 36.60 1ilf s LYS 94 CO -0.17 -0.56 -0.06 0.54 -0.76 0.00 0.00 175.35 174.33 1ilf s VAL 95 N -3.48 1.02 0.12 3.17 0.11 -0.91 -4.78 120.40 115.63 1ilf s VAL 95 Ca 0.36 -0.38 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1ilf s VAL 95 Cb 0.03 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1ilf s VAL 95 CO 0.22 0.28 -0.02 -0.72 -3.33 0.00 0.00 175.10 171.54 1ilf s TYR 96 N 1.70 2.91 0.05 1.54 -0.85 -1.21 -1.75 117.35 119.73 1ilf s TYR 96 Ca 0.04 -0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 56.50 1ilf s TYR 96 Cb -0.13 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.69 1ilf s TYR 96 CO -0.08 0.48 -0.02 -0.48 -1.52 0.00 0.00 175.55 173.93 1ilf s LEU 97 N -2.46 2.44 -0.12 -3.49 -0.00 -0.80 -2.46 118.68 111.79 1ilf s LEU 97 Ca 0.25 -0.95 0.02 0.00 -0.00 0.00 0.00 54.13 53.45 1ilf s LEU 97 Cb -0.11 0.22 0.02 0.00 -0.00 0.00 0.00 46.19 46.31 1ilf s LEU 97 CO 0.18 -0.58 -0.16 -0.75 -0.00 0.00 0.00 176.35 175.03 1ilf s LYS 98 N -3.74 2.33 -0.04 1.48 2.20 0.17 -1.94 119.74 120.20 1ilf s LYS 98 Ca 0.05 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1ilf s LYS 98 Cb 0.07 -1.99 -0.01 0.00 -1.51 0.00 0.00 37.83 34.39 1ilf s LYS 98 CO -0.09 -0.08 -0.20 0.00 -0.36 0.00 0.00 175.35 174.62 1ilf s ALA 99 N 1.03 1.71 -0.22 3.13 0.00 0.17 -4.35 121.76 123.24 1ilf s ALA 99 Ca -0.05 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1ilf s ALA 99 Cb -0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1ilf s ALA 99 CO -0.03 0.35 0.54 -1.25 0.00 0.00 0.00 175.76 175.37 1ilf s PRO 100 N -0.19 4.16 0.30 0.00 0.04 -1.26 -1.12 135.00 136.92 1ilf s PRO 100 Ca 0.01 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.50 1ilf s PRO 100 Cb -0.11 -3.59 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 1ilf s PRO 100 CO 0.01 -0.22 0.08 -1.64 0.04 0.00 0.00 177.00 175.27 1ilf s MET 101 N 1.86 1.55 -0.40 4.56 -1.94 -0.38 -4.88 119.30 119.68 1ilf s MET 101 Ca 0.24 -1.85 -0.07 0.00 -1.71 0.00 0.00 55.69 52.29 1ilf s MET 101 Cb -0.15 -0.59 0.07 0.00 2.01 0.00 0.00 34.83 36.17 1ilf s MET 101 CO 0.09 -0.24 0.21 0.42 -0.01 0.00 0.00 175.02 175.49 1ilf s ILE 102 N -3.50 3.97 0.09 2.53 -1.09 -1.26 -0.60 121.20 121.33 1ilf s ILE 102 Ca 0.37 -1.42 0.04 0.00 -2.23 0.00 0.00 60.65 57.41 1ilf s ILE 102 Cb 0.08 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1ilf s ILE 102 CO 0.15 -0.44 0.05 -0.76 -1.23 0.00 0.00 174.94 172.71 1ilf s LEU 103 N 1.38 3.67 0.00 2.97 1.43 -0.25 -4.85 118.68 123.03 1ilf s LEU 103 Ca 0.02 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1ilf s LEU 103 Cb -0.22 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1ilf s LEU 103 CO 0.01 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.56 1ilf n ASN 104 N 0.45 0.00 -4.05 2.29 2.85 -1.26 0.15 115.26 115.68 1ilf n ASN 104 Ca -0.09 0.00 -0.30 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 41.50 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 3.63 8.20 0.00 -1.26 -4.94 105.19 110.47 1ilf n GLY 105 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.99 0.00 -0.57 1.61 1.01 0.39 -3.40 120.40 115.45 1ilf s VAL 106 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1ilf s VAL 106 Cb -0.05 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1ilf s VAL 106 CO 0.93 0.00 1.18 0.00 0.00 0.00 0.00 175.10 177.21 1ilf s VAL 108 N 4.90 2.69 -0.25 0.00 -7.23 0.23 -2.03 120.40 118.70 1ilf s VAL 108 Ca 0.43 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1ilf s VAL 108 Cb -0.07 -2.89 0.12 0.00 0.56 0.00 0.00 36.38 34.10 1ilf s VAL 108 CO 0.26 0.00 0.27 -0.63 -0.31 0.00 0.00 175.10 174.69 1ilf s ILE 109 N -2.46 -0.39 -0.11 -0.62 1.01 0.21 -1.25 121.20 117.59 1ilf s ILE 109 Ca 0.51 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1ilf s ILE 109 Cb -0.06 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1ilf s ILE 109 CO 0.30 -0.31 0.41 0.86 0.00 0.00 0.00 174.94 176.20 1ilf s TRP 110 N 2.37 3.53 0.09 3.97 -0.00 -0.28 -0.75 118.94 127.87 1ilf s TRP 110 Ca 0.09 0.81 -0.10 0.00 -0.00 0.00 0.00 56.10 56.90 1ilf s TRP 110 Cb -0.15 -2.44 0.00 0.00 -0.00 0.00 0.00 33.47 30.89 1ilf s TRP 110 CO -0.22 0.27 0.23 -1.59 -0.00 0.00 0.00 176.95 175.64 1ilf s LYS 111 N 0.28 0.87 0.00 5.86 0.00 -0.51 -0.66 119.74 125.58 1ilf s LYS 111 Ca 0.23 -0.89 0.00 0.00 0.00 0.00 0.00 55.97 55.30 1ilf s LYS 111 Cb -0.15 0.36 0.00 0.00 0.00 0.00 0.00 37.83 38.04 1ilf s LYS 111 CO 0.09 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.56 1ilf n GLY 112 N -0.03 2.23 3.76 0.59 0.00 -0.82 -0.26 105.19 110.66 1ilf n GLY 112 Ca -0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 3.11 0.03 1.61 1.48 -0.64 -1.91 118.94 120.62 1ilf s TRP 113 Ca 0.00 0.01 0.07 0.00 -1.06 0.00 0.00 56.10 55.12 1ilf s TRP 113 Cb 0.00 -1.55 -0.02 0.00 -1.16 0.00 0.00 33.47 30.74 1ilf s TRP 113 CO 0.00 0.51 -0.21 0.42 -4.06 0.00 0.00 176.95 173.61 1ilf s ILE 114 N -1.53 1.70 0.03 0.66 -1.09 -0.72 -1.54 121.20 118.72 1ilf s ILE 114 Ca 0.29 -1.15 -0.24 0.00 -2.23 0.00 0.00 60.65 57.32 1ilf s ILE 114 Cb -0.11 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 1ilf s ILE 114 CO 0.21 0.27 0.72 1.51 -1.23 0.00 0.00 174.94 176.42 1ilf s ASP 115 N -1.04 7.15 0.00 3.58 -4.77 -0.75 -2.15 116.67 118.70 1ilf s ASP 115 Ca 0.08 1.37 0.00 0.00 -3.30 0.00 0.00 52.55 50.70 1ilf s ASP 115 Cb -0.09 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1ilf s ASP 115 CO 0.01 0.04 0.62 0.18 0.70 0.00 0.00 175.17 176.72 1ilf n LEU 116 N 2.75 0.13 0.00 2.11 4.77 -1.26 -0.57 117.00 124.94 1ilf n LEU 116 Ca -0.04 -0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1ilf n LEU 116 Cb 0.50 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1ilf n LEU 116 CO 0.46 0.03 -0.17 1.41 -1.33 0.00 0.00 177.39 177.80 1ilf n HIS 117 N -0.37 0.00 0.64 -1.77 8.25 -1.26 -4.77 115.22 115.94 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 0.03 -0.12 0.18 0.00 1.12 0.00 0.00 29.99 31.20 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 -3.51 0.24 -3.17 -0.41 5.12 -1.25 -4.96 116.66 108.72 1ilf n ARG 118 Ca -0.03 0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.80 1ilf n ARG 118 Cb 0.13 -1.65 0.05 0.00 -1.16 0.00 0.00 32.46 29.83 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ilf n LEU 119 N -2.00 -3.00 -3.73 0.55 4.77 0.27 -4.88 117.00 108.98 1ilf n LEU 119 Ca 0.04 -0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 55.52 1ilf n LEU 119 Cb 0.42 -2.18 -0.09 0.00 -2.33 0.00 0.00 43.42 39.24 1ilf n LEU 119 CO 0.36 0.40 0.07 1.51 -1.33 0.00 0.00 177.39 178.40 1ilf s ASP 120 N -3.33 -0.33 0.00 -1.43 1.47 -1.24 -1.16 116.67 110.66 1ilf s ASP 120 Ca 0.32 0.46 0.00 0.00 1.18 0.00 0.00 52.55 54.51 1ilf s ASP 120 Cb -0.14 0.56 0.00 0.00 -0.34 0.00 0.00 42.92 43.00 1ilf s ASP 120 CO 0.48 -0.31 0.00 0.61 0.68 0.00 0.00 175.17 176.63 1ilf n GLY 121 N 2.02 3.46 2.85 2.12 0.00 -0.50 -1.80 105.19 113.35 1ilf n GLY 121 Ca -0.17 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 3.85 0.81 0.51 1.61 1.75 -0.59 -1.99 119.30 125.25 1ilf s MET 122 Ca 0.00 -0.05 0.05 0.00 -1.25 0.00 0.00 55.69 54.45 1ilf s MET 122 Cb 0.00 -0.94 0.01 0.00 2.84 0.00 0.00 34.83 36.74 1ilf s MET 122 CO 0.00 -0.17 0.32 0.20 -0.65 0.00 0.00 175.02 174.72 1ilf s GLY 123 N 1.32 2.43 -0.27 2.11 0.00 0.95 -1.61 107.32 112.25 1ilf s GLY 123 Ca -0.05 -1.32 -0.27 0.00 0.00 0.00 0.00 44.72 43.08 1ilf s GLY 123 CO -0.02 -1.95 1.28 0.00 0.00 0.00 0.00 173.10 172.41 1ilf s LEU 125 N -0.49 4.20 0.08 0.00 1.43 -0.86 -1.42 118.68 121.62 1ilf s LEU 125 Ca 0.06 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 1ilf s LEU 125 Cb -0.03 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.45 1ilf s LEU 125 CO -0.09 0.00 0.31 -0.70 0.23 0.00 0.00 176.35 176.11 1ilf s GLU 126 N -3.53 0.90 -0.17 1.70 2.56 0.07 -4.19 118.70 116.04 1ilf s GLU 126 Ca 0.34 -0.65 -0.04 0.00 0.00 0.00 0.00 54.97 54.61 1ilf s GLU 126 Cb -0.10 0.39 -0.03 0.00 2.00 0.00 0.00 34.13 36.39 1ilf s GLU 126 CO 0.28 -0.31 -0.02 0.12 -0.56 0.00 0.00 175.26 174.76 1ilf s PHE 127 N -3.18 3.03 -0.51 5.30 2.19 -1.26 0.66 117.98 124.21 1ilf s PHE 127 Ca -0.01 -0.37 -0.22 0.00 0.33 0.00 0.00 56.93 56.66 1ilf s PHE 127 Cb 0.01 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1ilf s PHE 127 CO -0.07 -0.12 0.80 0.16 1.83 0.00 0.00 175.22 177.82 1ilf s ASP 128 N 0.62 6.32 0.30 6.13 1.47 -0.86 -4.89 116.67 125.76 1ilf s ASP 128 Ca -0.02 -0.45 0.15 0.00 1.18 0.00 0.00 52.55 53.41 1ilf s ASP 128 Cb -0.14 -2.38 0.39 0.00 -0.34 0.00 0.00 42.92 40.45 1ilf s ASP 128 CO 0.02 -1.04 1.60 -0.33 0.68 0.00 0.00 175.17 176.10 1ilf h GLU 129 N 9.13 0.00 0.72 2.11 5.08 -1.97 -2.01 114.58 127.64 1ilf h GLU 129 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1ilf h GLU 129 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ilf h GLU 129 CO 1.02 0.53 -0.44 0.93 -1.00 0.00 0.00 179.01 180.04 1ilf h GLU 130 N 0.00 -1.05 -0.06 2.33 4.39 -1.99 -0.34 114.58 117.86 1ilf h GLU 130 Ca -0.01 0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1ilf h GLU 130 Cb 1.14 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1ilf h GLU 130 CO 0.07 -0.70 -0.71 -0.09 -1.16 0.00 0.00 179.01 176.42 1ilf h ARG 131 N -1.09 0.31 0.21 2.33 2.43 -1.98 -3.23 114.38 113.36 1ilf h ARG 131 Ca -0.10 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1ilf h ARG 131 Cb 0.87 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1ilf h ARG 131 CO 0.10 0.90 -0.34 0.00 -1.51 0.00 0.00 179.97 179.11 1ilf h ALA 132 N 1.03 -0.65 -0.22 2.80 0.00 -1.29 -1.49 119.26 119.45 1ilf h ALA 132 Ca -0.02 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ilf h ALA 132 Cb 1.27 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1ilf h ALA 132 CO 0.12 -0.91 0.18 -0.56 0.00 0.00 0.00 179.25 178.07 1ilf h GLN 133 N -0.63 0.00 -0.61 0.00 3.07 -1.12 -1.43 115.11 114.39 1ilf h GLN 133 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.70 1ilf h GLN 133 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 1ilf h GLN 133 CO -0.14 0.00 0.20 1.96 0.09 0.00 0.00 178.83 180.94 1ilf h GLN 134 N 0.00 0.94 -0.99 0.06 4.20 -1.29 -1.40 115.11 116.62 1ilf h GLN 134 Ca 0.10 -0.20 0.23 0.00 0.06 0.00 0.00 58.65 58.84 1ilf h GLN 134 Cb 0.46 -0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 1ilf h GLN 134 CO -0.00 0.83 0.63 0.93 -0.67 0.00 0.00 178.83 180.55 1ilf h GLU 135 N 0.86 0.49 -0.19 1.46 4.39 -0.97 1.01 114.58 121.63 1ilf h GLU 135 Ca 0.20 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.68 1ilf h GLU 135 Cb 0.27 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1ilf h GLU 135 CO -0.01 0.32 -0.63 -0.44 -1.16 0.00 0.00 179.01 177.09 1ilf h ASP 136 N 0.50 0.79 -0.08 1.42 5.19 -1.41 0.25 116.42 123.08 1ilf h ASP 136 Ca 0.56 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1ilf h ASP 136 Cb 1.25 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ilf h ASP 136 CO -0.29 1.22 0.01 0.00 -3.12 0.00 0.00 179.24 177.06 1ilf h ALA 137 N 0.78 0.11 -0.24 3.45 0.00 0.18 0.48 119.26 124.01 1ilf h ALA 137 Ca -0.01 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1ilf h ALA 137 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ilf h ALA 137 CO 0.13 -0.23 -0.52 -0.07 0.00 0.00 0.00 179.25 178.55 1ilf h LEU 138 N -0.12 0.87 -1.26 0.00 3.38 0.19 -2.92 115.31 115.45 1ilf h LEU 138 Ca 0.02 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1ilf h LEU 138 Cb 0.31 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ilf h LEU 138 CO 0.00 1.26 -0.12 0.00 0.09 0.00 0.00 178.44 179.68 1ilf h ALA 139 N 0.63 1.02 -3.27 1.53 0.00 -0.50 -3.39 119.26 115.28 1ilf h ALA 139 Ca 0.00 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.23 1ilf h ALA 139 Cb 1.13 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1ilf h ALA 139 CO 0.11 0.15 -0.76 -0.65 0.00 0.00 0.00 179.25 178.10 1ilf s GLN 140 N -3.66 0.86 0.00 0.00 -1.52 0.17 -4.98 119.66 110.53 1ilf s GLN 140 Ca 0.01 -0.99 0.11 0.00 -1.95 0.00 0.00 55.36 52.54 1ilf s GLN 140 Cb 0.10 -2.16 0.09 0.00 -0.22 0.00 0.00 33.01 30.81 1ilf s GLN 140 CO 0.60 -0.87 0.85 1.04 -0.25 0.00 0.00 175.29 176.66