#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 -1.73 -0.15 0.03 0.04 -1.26 -5.00 135.00 126.94 1ilf s PRO 2 Ca 0.00 0.03 0.15 0.00 0.04 0.00 0.00 61.00 61.22 1ilf s PRO 2 Cb 0.00 -1.53 0.33 0.00 0.04 0.00 0.00 34.50 33.34 1ilf s PRO 2 CO 0.00 -4.06 1.17 2.89 0.04 0.00 0.00 177.00 177.04 1ilf n ARG 3 N -5.03 1.26 -3.81 4.56 -4.01 -1.26 -4.95 116.66 103.42 1ilf n ARG 3 Ca 0.12 -2.74 -0.21 0.00 -1.04 0.00 0.00 57.85 53.98 1ilf n ARG 3 Cb 0.59 -1.41 -0.17 0.00 -3.04 0.00 0.00 32.46 28.43 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 -2.70 0.29 0.26 8.89 -7.23 -1.26 -3.12 120.40 115.53 1ilf s VAL 4 Ca 0.32 0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 60.53 1ilf s VAL 4 Cb 0.30 -0.44 -0.08 0.00 0.56 0.00 0.00 36.38 36.73 1ilf s VAL 4 CO -0.02 0.23 0.60 0.68 -0.31 0.00 0.00 175.10 176.28 1ilf s VAL 5 N 1.80 4.87 0.50 1.32 -7.23 -1.02 -4.96 120.40 115.68 1ilf s VAL 5 Ca 0.02 0.58 0.37 0.00 -1.81 0.00 0.00 61.98 61.14 1ilf s VAL 5 Cb -0.13 -3.62 0.58 0.00 0.56 0.00 0.00 36.38 33.77 1ilf s VAL 5 CO -0.04 -0.13 1.67 -0.65 -0.31 0.00 0.00 175.10 175.64 1ilf h PRO 6 N 2.39 0.06 -2.42 4.82 0.11 -2.01 -3.23 132.00 131.72 1ilf h PRO 6 Ca -0.47 -0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.17 1ilf h PRO 6 Cb 1.17 -0.01 -0.36 0.00 0.11 0.00 0.00 31.00 31.90 1ilf h PRO 6 CO 0.68 0.04 -0.75 -0.51 -0.21 0.00 0.00 178.00 177.25 1ilf s ASP 7 N -4.54 2.49 0.25 -2.05 1.01 -1.26 -4.99 116.67 107.59 1ilf s ASP 7 Ca -0.06 -1.50 -0.04 0.00 0.71 0.00 0.00 52.55 51.66 1ilf s ASP 7 Cb 0.27 0.00 0.29 0.00 1.01 0.00 0.00 42.92 44.49 1ilf s ASP 7 CO 0.84 -0.35 1.79 1.56 0.21 0.00 0.00 175.17 179.22 1ilf h GLN 8 N 7.69 0.97 0.00 8.23 4.20 -1.84 -0.41 115.11 133.96 1ilf h GLN 8 Ca -0.06 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 1ilf h GLN 8 Cb 1.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1ilf h GLN 8 CO 0.32 0.85 -0.22 0.00 -0.67 0.00 0.00 178.83 179.10 1ilf h ARG 9 N 0.94 0.00 -0.17 1.46 2.47 -1.94 -1.44 114.38 115.69 1ilf h ARG 9 Ca 0.21 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 1ilf h ARG 9 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1ilf h ARG 9 CO -0.00 0.22 -0.05 0.77 0.56 0.00 0.00 179.97 181.46 1ilf h SER 10 N 0.00 0.24 0.00 7.04 0.02 -1.47 0.54 113.55 119.91 1ilf h SER 10 Ca -0.00 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1ilf h SER 10 Cb 0.65 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1ilf h SER 10 CO 0.03 0.33 -0.47 0.11 -1.14 0.00 0.00 176.83 175.69 1ilf h LYS 11 N 0.25 0.00 -0.02 3.45 6.56 -1.25 -0.64 116.57 124.92 1ilf h LYS 11 Ca 0.06 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1ilf h LYS 11 Cb 0.26 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1ilf h LYS 11 CO 0.01 0.84 0.14 0.35 -2.06 0.00 0.00 179.45 178.73 1ilf h PHE 12 N -1.00 0.00 0.00 -1.35 3.57 -1.16 0.82 116.94 117.82 1ilf h PHE 12 Ca -0.12 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.15 1ilf h PHE 12 Cb 0.98 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1ilf h PHE 12 CO 0.16 0.00 -2.20 0.39 -2.23 0.00 0.00 178.31 174.43 1ilf n GLU 13 N -3.11 0.68 -0.06 1.11 -0.58 0.19 -4.37 120.64 114.50 1ilf n GLU 13 Ca -0.02 -0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.59 1ilf n GLU 13 Cb 0.20 -1.53 -0.08 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.58 2.50 -4.75 1.62 2.85 -0.25 -5.00 115.26 109.66 1ilf n ASN 14 Ca -0.21 -0.02 -0.41 0.00 -0.11 0.00 0.00 54.58 53.83 1ilf n ASN 14 Cb 0.93 0.54 -0.02 0.00 1.24 0.00 0.00 39.78 42.47 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 -2.26 4.28 0.00 1.20 2.02 0.28 -4.93 118.70 119.28 1ilf s GLU 15 Ca -0.08 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1ilf s GLU 15 Cb 0.03 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ilf s GLU 15 CO 0.41 -0.37 0.57 -0.85 0.02 0.00 0.00 175.26 175.04 1ilf n GLU 16 N 1.97 0.00 -0.28 1.61 0.28 -1.26 -0.21 120.64 122.75 1ilf n GLU 16 Ca 0.05 0.43 0.03 0.00 -0.16 0.00 0.00 57.16 57.50 1ilf n GLU 16 Cb 0.41 -1.23 0.16 0.00 1.43 0.00 0.00 31.44 32.21 1ilf n GLU 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ilf h PHE 17 N 0.00 0.80 0.00 -1.84 3.04 -1.97 0.68 116.94 117.65 1ilf h PHE 17 Ca 0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ilf h PHE 17 Cb 0.00 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 1ilf h PHE 17 CO 0.12 0.32 -0.02 0.35 -2.02 0.00 0.00 178.31 177.05 1ilf h PHE 18 N 0.74 0.00 0.00 0.41 3.57 -1.90 0.48 116.94 120.24 1ilf h PHE 18 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1ilf h PHE 18 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1ilf h PHE 18 CO -0.07 0.02 -0.13 0.00 -2.23 0.00 0.00 178.31 175.90 1ilf h ARG 19 N 0.00 0.00 -0.66 1.11 3.08 0.34 0.38 114.38 118.62 1ilf h ARG 19 Ca -0.00 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.24 1ilf h ARG 19 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1ilf h ARG 19 CO 0.00 0.00 0.65 1.57 -1.07 0.00 0.00 179.97 181.12 1ilf h LYS 20 N -0.69 0.00 0.13 0.04 2.10 0.07 0.72 116.57 118.95 1ilf h LYS 20 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1ilf h LYS 20 Cb 0.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1ilf h LYS 20 CO 0.00 0.00 -1.90 -0.07 -2.00 0.00 0.00 179.45 175.48 1ilf h LEU 21 N 0.00 0.44 -0.65 7.07 3.38 -0.14 -3.31 115.31 122.10 1ilf h LEU 21 Ca 0.32 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ilf h LEU 21 Cb 1.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1ilf h LEU 21 CO -0.00 1.77 0.09 -0.24 0.09 0.00 0.00 178.44 180.15 1ilf n SER 22 N -3.48 0.25 -1.81 -0.43 2.88 0.24 -2.29 113.62 108.99 1ilf n SER 22 Ca -0.28 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1ilf n SER 22 Cb 1.06 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.83 1.13 -4.49 -1.46 5.12 -0.39 -3.84 116.66 110.91 1ilf n ARG 23 Ca -0.01 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 1ilf n ARG 23 Cb 0.11 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.29 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 -1.55 3.22 0.02 5.56 -1.05 -1.26 -1.99 118.70 121.65 1ilf s GLU 24 Ca 0.00 -0.51 -0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1ilf s GLU 24 Cb 0.00 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1ilf s GLU 24 CO 0.00 0.47 0.03 0.00 0.95 0.00 0.00 175.26 176.71 1ilf s GLU 26 N -2.04 4.44 0.34 0.00 2.02 -1.26 0.25 118.70 122.45 1ilf s GLU 26 Ca 0.02 0.90 0.08 0.00 0.02 0.00 0.00 54.97 55.99 1ilf s GLU 26 Cb -0.00 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1ilf s GLU 26 CO 0.01 0.05 0.16 0.96 0.02 0.00 0.00 175.26 176.46 1ilf s ILE 27 N 0.83 3.02 0.10 -1.63 -4.36 -0.74 -1.71 121.20 116.71 1ilf s ILE 27 Ca 0.38 -1.66 -0.17 0.00 -0.26 0.00 0.00 60.65 58.93 1ilf s ILE 27 Cb -0.18 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.58 1ilf s ILE 27 CO 0.18 -0.17 0.42 -0.75 0.24 0.00 0.00 174.94 174.86 1ilf s LYS 28 N -3.86 1.03 -0.26 0.37 2.47 -0.32 -1.51 119.74 117.66 1ilf s LYS 28 Ca 0.38 -0.57 -0.27 0.00 -1.56 0.00 0.00 55.97 53.95 1ilf s LYS 28 Cb -0.02 0.46 0.01 0.00 -1.46 0.00 0.00 37.83 36.81 1ilf s LYS 28 CO 0.23 -0.39 0.97 -0.47 0.16 0.00 0.00 175.35 175.85 1ilf s TYR 29 N -3.34 3.28 -0.32 4.03 5.04 -0.52 0.47 117.35 126.00 1ilf s TYR 29 Ca 0.00 1.27 0.17 0.00 -2.44 0.00 0.00 57.07 56.06 1ilf s TYR 29 Cb 0.01 -3.30 0.45 0.00 0.35 0.00 0.00 41.96 39.47 1ilf s TYR 29 CO -0.09 -0.53 1.23 0.25 -1.34 0.00 0.00 175.55 175.07 1ilf n THR 30 N 5.44 0.66 0.00 4.34 -2.24 -1.26 -4.90 114.28 116.32 1ilf n THR 30 Ca 0.10 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1ilf n THR 30 Cb 0.47 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 31 N -0.72 0.03 0.62 3.38 0.00 -1.26 -4.89 105.19 102.35 1ilf n GLY 31 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.99 0.25 1.00 1.61 -1.74 -1.26 -4.41 117.46 111.92 1ilf n PHE 32 Ca 0.00 -0.24 0.14 0.00 -0.56 0.00 0.00 57.45 56.79 1ilf n PHE 32 Cb 0.00 -0.01 0.56 0.00 1.52 0.00 0.00 39.48 41.55 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 0.70 0.00 0.12 3.97 0.00 -1.26 -3.86 116.66 116.32 1ilf n ARG 33 Ca 0.10 -0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.00 1ilf n ARG 33 Cb 0.38 -1.50 0.24 0.00 -0.00 0.00 0.00 32.46 31.58 1ilf n ARG 33 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1ilf n ASP 34 N -1.50 0.23 0.00 2.89 5.75 -1.26 -2.37 116.55 120.29 1ilf n ASP 34 Ca 0.07 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1ilf n ASP 34 Cb 0.34 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ilf n ARG 35 N -1.82 0.00 -2.56 0.11 3.00 -1.25 -4.90 116.66 109.24 1ilf n ARG 35 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.79 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 -2.49 4.87 -0.17 5.56 -0.04 -1.24 -4.84 135.00 136.65 1ilf n PRO 36 Ca 0.00 -4.53 -0.06 0.00 -0.04 0.00 0.00 63.50 58.87 1ilf n PRO 36 Cb 0.00 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.03 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 3.92 -0.95 -0.44 0.54 2.76 -1.77 0.95 115.15 120.16 1ilf h HIS 37 Ca 0.51 0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.87 1ilf h HIS 37 Cb 0.30 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1ilf h HIS 37 CO 1.27 -0.39 0.37 0.93 -1.30 0.00 0.00 177.93 178.81 1ilf h GLU 38 N -0.21 0.00 0.15 5.26 4.39 -1.89 0.20 114.58 122.49 1ilf h GLU 38 Ca 0.20 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.57 1ilf h GLU 38 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1ilf h GLU 38 CO -0.62 0.00 -1.68 1.49 -1.16 0.00 0.00 179.01 177.04 1ilf h GLU 39 N 0.00 0.33 -0.11 2.33 4.22 -0.78 -3.25 114.58 117.32 1ilf h GLU 39 Ca 0.21 -0.56 0.03 0.00 0.08 0.00 0.00 59.36 59.12 1ilf h GLU 39 Cb 0.95 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ilf h GLU 39 CO -0.00 1.22 0.21 0.00 -2.18 0.00 0.00 179.01 178.25 1ilf h ARG 40 N 0.09 0.00 -0.66 1.92 -0.00 0.37 0.10 114.38 116.21 1ilf h ARG 40 Ca -0.31 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.23 1ilf h ARG 40 Cb 2.07 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.98 1ilf h ARG 40 CO 0.17 0.00 0.36 -0.56 0.00 0.00 0.00 179.97 179.94 1ilf h GLN 41 N 0.00 0.64 0.09 0.04 3.07 -1.16 1.29 115.11 119.07 1ilf h GLN 41 Ca 0.05 -0.04 -0.28 0.00 0.09 0.00 0.00 58.65 58.48 1ilf h GLN 41 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 1ilf h GLN 41 CO -0.00 0.42 -1.38 1.15 0.09 0.00 0.00 178.83 179.11 1ilf h THR 42 N 0.66 1.32 -0.02 1.86 2.02 -1.09 -2.53 112.91 115.12 1ilf h THR 42 Ca 0.30 -2.97 -0.02 0.00 0.77 0.00 0.00 66.41 64.49 1ilf h THR 42 Cb 0.21 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1ilf h THR 42 CO -0.19 0.84 -0.09 0.03 0.37 0.00 0.00 175.52 176.47 1ilf h ARG 43 N 0.05 0.04 0.05 6.66 -0.00 -0.08 1.15 114.38 122.24 1ilf h ARG 43 Ca -0.18 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1ilf h ARG 43 Cb 1.96 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.92 1ilf h ARG 43 CO 0.16 0.13 -0.02 0.35 0.00 0.00 0.00 179.97 180.59 1ilf h PHE 44 N 0.03 -0.06 -0.03 3.04 3.57 0.16 0.10 116.94 123.75 1ilf h PHE 44 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ilf h PHE 44 Cb 0.19 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1ilf h PHE 44 CO 0.00 0.53 0.03 0.37 -2.23 0.00 0.00 178.31 177.00 1ilf h GLN 45 N -0.93 0.00 0.00 1.11 4.15 -1.14 0.28 115.11 118.58 1ilf h GLN 45 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 1ilf h GLN 45 Cb 0.61 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1ilf h GLN 45 CO 0.01 0.00 -0.75 -0.91 -1.93 0.00 0.00 178.83 175.25 1ilf h ASN 46 N 0.00 0.00 0.48 -0.69 4.21 0.13 -3.06 115.58 116.65 1ilf h ASN 46 Ca 0.02 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 1ilf h ASN 46 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 1ilf h ASN 46 CO -0.00 0.64 -0.49 0.00 -1.29 0.00 0.00 177.43 176.29 1ilf h ALA 47 N 1.36 1.18 0.00 -0.83 0.00 0.21 -0.84 119.26 120.34 1ilf h ALA 47 Ca -0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1ilf h ALA 47 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ilf h ALA 47 CO 0.08 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 1ilf h ARG 49 N 0.00 0.00 -0.47 0.00 2.43 -1.19 -2.90 114.38 112.26 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 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ilf h ARG 49 CO 0.00 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 178.68 1ilf n ASP 50 N -3.36 3.58 -2.23 -3.80 9.92 0.01 -4.20 116.55 116.47 1ilf n ASP 50 Ca 0.01 -1.99 -0.20 0.00 -0.53 0.00 0.00 54.79 52.08 1ilf n ASP 50 Cb 0.64 -0.30 -0.01 0.00 -0.64 0.00 0.00 41.12 40.81 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 1.53 -0.40 3.22 0.44 0.00 -0.32 -4.93 105.19 104.72 1ilf n GLY 51 Ca 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.96 0.34 0.17 1.61 0.52 -0.46 0.48 118.95 116.64 1ilf s ARG 52 Ca 0.00 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 55.92 1ilf s ARG 52 Cb 0.00 -0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 1ilf s ARG 52 CO 0.00 -0.18 0.20 -1.54 0.02 0.00 0.00 175.30 173.81 1ilf s SER 53 N 1.57 0.13 -0.26 0.23 1.04 -1.10 -4.26 113.70 111.05 1ilf s SER 53 Ca -0.08 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1ilf s SER 53 Cb -0.09 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ilf s SER 53 CO -0.12 -0.85 -0.09 -0.70 0.98 0.00 0.00 173.24 172.45 1ilf s GLU 54 N -4.03 2.39 0.03 4.02 2.12 -1.26 -2.04 118.70 119.93 1ilf s GLU 54 Ca 0.23 -1.26 0.06 0.00 0.36 0.00 0.00 54.97 54.37 1ilf s GLU 54 Cb 0.05 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 1ilf s GLU 54 CO 0.03 -0.53 -0.15 0.42 -0.54 0.00 0.00 175.26 174.49 1ilf s ILE 55 N 1.16 3.00 0.15 -3.70 -1.09 -0.56 -4.53 121.20 115.64 1ilf s ILE 55 Ca -0.06 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.34 1ilf s ILE 55 Cb -0.19 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1ilf s ILE 55 CO -0.05 0.36 0.16 0.00 -1.23 0.00 0.00 174.94 174.19 1ilf s ALA 56 N -0.93 3.66 -0.23 9.38 0.00 0.18 -1.16 121.76 132.66 1ilf s ALA 56 Ca 0.15 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1ilf s ALA 56 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 1ilf s ALA 56 CO 0.06 0.54 0.08 0.12 0.00 0.00 0.00 175.76 176.55 1ilf s PHE 57 N -1.72 3.15 0.17 0.00 5.36 -0.24 -1.17 117.98 123.53 1ilf s PHE 57 Ca 0.32 -0.20 0.08 0.00 -0.96 0.00 0.00 56.93 56.16 1ilf s PHE 57 Cb -0.10 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 1ilf s PHE 57 CO 0.24 -0.17 1.38 0.28 -1.46 0.00 0.00 175.22 175.50 1ilf h VAL 58 N 5.31 1.62 -0.47 3.12 2.07 -1.65 0.11 116.25 126.36 1ilf h VAL 58 Ca -0.37 -2.97 0.08 0.00 0.82 0.00 0.00 66.70 64.26 1ilf h VAL 58 Cb 1.18 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 33.46 1ilf h VAL 58 CO 0.61 0.85 -0.41 0.00 0.02 0.00 0.00 177.57 178.64 1ilf h ALA 59 N 1.11 -0.34 0.00 1.67 0.00 -1.95 -3.34 119.26 116.41 1ilf h ALA 59 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ilf h ALA 59 Cb 1.55 0.88 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1ilf h ALA 59 CO 0.12 -0.82 -0.93 0.25 0.00 0.00 0.00 179.25 177.87 1ilf n THR 60 N -5.41 0.00 0.00 0.00 -2.24 -1.26 -5.04 114.28 100.33 1ilf n THR 60 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ilf n THR 60 Cb 0.35 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.52 1.13 3.67 3.38 0.00 0.36 -5.09 105.19 111.17 1ilf n GLY 61 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 5.30 0.32 2.61 -1.32 -1.15 -4.82 115.64 114.59 1ilf s THR 62 Ca 0.00 0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 60.62 1ilf s THR 62 Cb 0.00 -3.59 -0.10 0.00 -1.51 0.00 0.00 72.50 67.30 1ilf s THR 62 CO 0.00 0.32 0.95 0.21 -2.21 0.00 0.00 174.62 173.89 1ilf s ASN 63 N 0.95 7.33 -0.05 8.08 3.84 -1.26 -1.07 114.94 132.76 1ilf s ASN 63 Ca 0.12 1.84 -0.03 0.00 0.21 0.00 0.00 52.86 55.01 1ilf s ASN 63 Cb -0.14 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.01 1ilf s ASN 63 CO 0.05 -0.08 0.11 -0.76 -2.79 0.00 0.00 177.10 173.64 1ilf s LEU 64 N -2.07 1.09 -0.33 3.21 1.02 -0.30 -4.96 118.68 116.34 1ilf s LEU 64 Ca 0.50 0.23 -0.09 0.00 0.02 0.00 0.00 54.13 54.78 1ilf s LEU 64 Cb -0.19 0.29 0.01 0.00 0.02 0.00 0.00 46.19 46.32 1ilf s LEU 64 CO 0.24 -0.11 0.16 -0.44 0.02 0.00 0.00 176.35 176.22 1ilf s SER 65 N 0.77 5.54 0.12 2.29 0.01 -1.26 -1.50 113.70 119.66 1ilf s SER 65 Ca -0.06 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 56.52 1ilf s SER 65 Cb -0.08 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1ilf s SER 65 CO -0.03 -0.27 -0.02 -0.76 0.41 0.00 0.00 173.24 172.57 1ilf s LEU 66 N 1.57 3.33 -0.28 2.44 1.43 -0.86 -5.04 118.68 121.26 1ilf s LEU 66 Ca 0.03 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1ilf s LEU 66 Cb -0.18 -2.05 0.08 0.00 0.03 0.00 0.00 46.19 44.07 1ilf s LEU 66 CO 0.06 0.15 0.03 -1.10 0.23 0.00 0.00 176.35 175.72 1ilf s GLN 67 N -2.45 1.20 -0.23 1.70 -0.21 -1.26 -2.69 119.66 115.71 1ilf s GLN 67 Ca 0.25 -1.16 -0.05 0.00 0.02 0.00 0.00 55.36 54.42 1ilf s GLN 67 Cb -0.11 -2.48 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 1ilf s GLN 67 CO 0.17 -0.81 -0.00 -0.59 -2.12 0.00 0.00 175.29 171.94 1ilf s PHE 68 N 1.40 3.01 0.06 0.91 -0.12 0.18 -3.88 117.98 119.53 1ilf s PHE 68 Ca 0.04 -0.74 -0.26 0.00 -0.05 0.00 0.00 56.93 55.91 1ilf s PHE 68 Cb -0.18 -2.16 0.07 0.00 -0.63 0.00 0.00 43.02 40.12 1ilf s PHE 68 CO -0.13 -0.48 0.62 -0.06 -0.05 0.00 0.00 175.22 175.12 1ilf s PHE 69 N 1.53 -0.57 -0.27 3.49 0.08 -1.26 -4.25 117.98 116.73 1ilf s PHE 69 Ca 0.06 0.67 -0.33 0.00 0.12 0.00 0.00 56.93 57.44 1ilf s PHE 69 Cb -0.15 0.46 -0.10 0.00 -0.57 0.00 0.00 43.02 42.67 1ilf s PHE 69 CO -0.01 -0.72 2.13 -2.30 -0.10 0.00 0.00 175.22 174.22 1ilf n PRO 70 N 0.26 1.50 0.32 0.24 -0.02 -1.26 -4.79 135.00 131.24 1ilf n PRO 70 Ca -0.18 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 1ilf n PRO 70 Cb 0.61 -2.67 0.96 0.00 -0.02 0.00 0.00 33.50 32.37 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 12.29 1.28 -0.54 3.55 0.00 -1.99 0.99 119.26 134.84 1ilf h ALA 71 Ca -0.35 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1ilf h ALA 71 Cb 1.29 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1ilf h ALA 71 CO 0.99 -0.23 0.20 0.43 0.00 0.00 0.00 179.25 180.64 1ilf n SER 72 N -3.05 4.04 -4.36 0.00 7.64 -1.26 -4.89 113.62 111.75 1ilf n SER 72 Ca -0.02 -2.87 -0.32 0.00 1.01 0.00 0.00 58.87 56.68 1ilf n SER 72 Cb 0.28 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.65 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 -2.30 2.49 0.12 1.43 0.52 0.34 -5.02 118.94 116.51 1ilf s TRP 73 Ca 0.40 -0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.06 1ilf s TRP 73 Cb 0.32 -1.58 -0.15 0.00 -1.15 0.00 0.00 33.47 30.91 1ilf s TRP 73 CO 0.10 -0.02 1.26 1.96 0.02 0.00 0.00 176.95 180.27 1ilf h GLN 74 N 5.63 0.32 0.00 4.98 4.20 -1.90 -3.47 115.11 124.87 1ilf h GLN 74 Ca -0.41 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 57.90 1ilf h GLN 74 Cb 1.15 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1ilf h GLN 74 CO 0.48 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 180.17 1ilf n GLY 75 N 1.15 -0.77 2.58 3.46 0.00 -1.26 -5.06 105.19 105.28 1ilf n GLY 75 Ca -0.07 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 5.08 0.03 1.61 1.02 -1.26 -4.75 120.64 122.36 1ilf n GLU 76 Ca 0.00 -4.16 0.22 0.00 -0.02 0.00 0.00 57.16 53.20 1ilf n GLU 76 Cb 0.00 -2.54 0.73 0.00 -0.02 0.00 0.00 31.44 29.61 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 4.40 0.00 -0.29 3.49 1.08 -2.00 -0.94 115.11 120.85 1ilf h GLN 77 Ca 0.60 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.86 1ilf h GLN 77 Cb 0.32 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 1ilf h GLN 77 CO 1.31 0.00 -0.07 0.00 -0.95 0.00 0.00 178.83 179.12 1ilf h ARG 78 N 0.00 0.00 -7.11 1.46 2.47 -2.02 -3.42 114.38 105.77 1ilf h ARG 78 Ca 0.25 -0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.47 1ilf h ARG 78 Cb 1.22 -0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.59 1ilf h ARG 78 CO -0.00 0.00 0.23 -0.65 0.56 0.00 0.00 179.97 180.11 1ilf s GLN 79 N -6.21 3.49 0.32 0.04 1.11 -0.36 -5.06 119.66 112.99 1ilf s GLN 79 Ca -0.14 0.38 -0.20 0.00 0.01 0.00 0.00 55.36 55.41 1ilf s GLN 79 Cb 0.12 -2.26 -0.09 0.00 -1.01 0.00 0.00 33.01 29.77 1ilf s GLN 79 CO 0.70 -0.39 0.83 -0.08 0.01 0.00 0.00 175.29 176.36 1ilf s THR 80 N -2.93 4.47 1.06 -0.19 -1.32 -1.26 -4.96 115.64 110.51 1ilf s THR 80 Ca 0.51 1.38 -0.22 0.00 -1.21 0.00 0.00 61.69 62.15 1ilf s THR 80 Cb -0.11 -3.78 -0.02 0.00 -1.51 0.00 0.00 72.50 67.09 1ilf s THR 80 CO 0.48 -0.02 -0.63 -0.81 -2.21 0.00 0.00 174.62 171.43 1ilf n PRO 81 N 0.12 -0.98 -4.24 7.08 -0.04 -1.26 -5.02 135.00 130.66 1ilf n PRO 81 Ca 0.02 -0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 62.97 1ilf n PRO 81 Cb 0.52 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.49 4.52 0.00 3.54 0.15 -1.26 -5.00 113.70 114.16 1ilf s SER 82 Ca 0.46 -0.75 0.17 0.00 0.70 0.00 0.00 55.95 56.53 1ilf s SER 82 Cb -0.02 -0.75 0.93 0.00 -1.71 0.00 0.00 66.02 64.48 1ilf s SER 82 CO 0.63 -0.14 1.47 0.54 1.20 0.00 0.00 173.24 176.94 1ilf n ARG 83 N -0.99 0.38 0.10 5.44 1.74 -1.04 -1.44 116.66 120.85 1ilf n ARG 83 Ca -0.05 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 1ilf n ARG 83 Cb 0.60 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.48 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ilf h GLU 84 N 0.00 -0.21 0.00 5.56 5.08 -1.98 -3.34 114.58 119.69 1ilf h GLU 84 Ca 0.00 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ilf h GLU 84 Cb 0.09 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ilf h GLU 84 CO 0.00 -0.14 -1.56 0.66 -1.00 0.00 0.00 179.01 176.97 1ilf n TYR 85 N -5.20 0.00 -3.72 4.33 4.02 -1.20 -4.77 117.16 110.62 1ilf n TYR 85 Ca -0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.53 1ilf n TYR 85 Cb 0.13 -0.37 -0.16 0.00 -0.02 0.00 0.00 39.34 38.92 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 -2.40 0.49 -0.12 -0.72 -7.23 -0.52 0.64 120.40 110.54 1ilf s VAL 86 Ca -0.04 -0.64 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1ilf s VAL 86 Cb 0.04 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1ilf s VAL 86 CO 0.39 -0.30 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.25 1ilf s ASP 87 N 1.86 5.07 -0.05 4.85 -1.08 -1.17 -2.50 116.67 123.65 1ilf s ASP 87 Ca 0.01 0.03 0.09 0.00 -0.52 0.00 0.00 52.55 52.15 1ilf s ASP 87 Cb -0.17 -1.60 -0.13 0.00 -1.46 0.00 0.00 42.92 39.56 1ilf s ASP 87 CO -0.12 0.28 0.12 0.18 0.52 0.00 0.00 175.17 176.16 1ilf n LEU 88 N 2.78 0.00 -3.92 -1.34 7.99 -1.26 -4.09 117.00 117.16 1ilf n LEU 88 Ca -0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.58 1ilf n LEU 88 Cb 0.53 0.10 -0.17 0.00 -0.11 0.00 0.00 43.42 43.78 1ilf n LEU 88 CO 0.30 0.10 -0.43 -0.70 -1.51 0.00 0.00 177.39 175.16 1ilf s GLU 89 N -2.44 1.26 0.00 3.23 2.12 -1.26 -4.90 118.70 116.71 1ilf s GLU 89 Ca -0.04 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1ilf s GLU 89 Cb 0.04 -1.24 0.00 0.00 0.26 0.00 0.00 34.13 33.19 1ilf s GLU 89 CO 0.37 -0.14 0.00 2.89 -0.54 0.00 0.00 175.26 177.85 1ilf n ARG 90 N 4.40 0.00 0.00 4.30 0.00 -1.26 -5.07 116.66 119.03 1ilf n ARG 90 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1ilf n ARG 90 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.97 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 -2.01 0.00 0.00 2.89 -0.58 -1.26 -5.18 120.64 114.51 1ilf n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ilf n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ilf n ALA 92 N -3.00 0.00 0.00 0.62 0.00 -1.26 -5.06 120.51 111.81 1ilf n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ilf n ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N -0.01 2.44 3.46 0.00 0.00 -1.26 -5.05 105.19 104.77 1ilf n GLY 93 Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 1.84 -0.04 1.61 3.01 -1.26 -4.23 119.74 120.67 1ilf s LYS 94 Ca 0.00 -2.10 0.06 0.00 -1.01 0.00 0.00 55.97 52.92 1ilf s LYS 94 Cb 0.00 -0.44 -0.01 0.00 -1.01 0.00 0.00 37.83 36.36 1ilf s LYS 94 CO 0.00 -0.47 -0.23 0.54 0.51 0.00 0.00 175.35 175.69 1ilf s VAL 95 N -3.31 1.89 0.02 3.17 0.11 -0.96 -4.92 120.40 116.40 1ilf s VAL 95 Ca 0.28 -0.99 0.08 0.00 -2.93 0.00 0.00 61.98 58.42 1ilf s VAL 95 Cb 0.03 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1ilf s VAL 95 CO 0.16 0.53 -0.25 -0.72 -3.33 0.00 0.00 175.10 171.50 1ilf s TYR 96 N -0.26 2.19 0.06 1.54 -0.85 -1.26 -0.79 117.35 117.98 1ilf s TYR 96 Ca 0.01 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1ilf s TYR 96 Cb -0.12 -1.35 -0.04 0.00 0.38 0.00 0.00 41.96 40.83 1ilf s TYR 96 CO 0.02 0.05 -0.01 -0.48 -1.52 0.00 0.00 175.55 173.61 1ilf s LEU 97 N -0.95 2.35 -0.11 -3.49 -0.00 -0.74 -3.05 118.68 112.68 1ilf s LEU 97 Ca 0.10 -1.03 0.02 0.00 -0.00 0.00 0.00 54.13 53.22 1ilf s LEU 97 Cb -0.10 0.23 0.02 0.00 -0.00 0.00 0.00 46.19 46.34 1ilf s LEU 97 CO 0.01 -0.62 -0.15 -0.54 -0.00 0.00 0.00 176.35 175.04 1ilf s LYS 98 N -3.94 2.23 -0.10 1.48 1.02 0.21 -2.11 119.74 118.53 1ilf s LYS 98 Ca 0.10 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1ilf s LYS 98 Cb 0.08 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1ilf s LYS 98 CO -0.08 -0.08 -0.19 0.00 -0.92 0.00 0.00 175.35 174.08 1ilf s ALA 99 N 1.04 2.40 -0.26 5.17 0.00 -0.48 -4.53 121.76 125.10 1ilf s ALA 99 Ca -0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 1ilf s ALA 99 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1ilf s ALA 99 CO -0.02 0.32 0.56 -1.25 0.00 0.00 0.00 175.76 175.36 1ilf s PRO 100 N 0.17 4.09 0.26 0.00 0.04 -1.25 -1.05 135.00 137.25 1ilf s PRO 100 Ca -0.10 0.41 0.02 0.00 0.04 0.00 0.00 61.00 61.37 1ilf s PRO 100 Cb -0.16 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1ilf s PRO 100 CO 0.06 -0.37 0.15 0.00 0.04 0.00 0.00 177.00 176.88 1ilf s MET 101 N 2.35 1.42 -0.39 4.56 0.23 0.14 -4.85 119.30 122.77 1ilf s MET 101 Ca 0.23 -1.78 -0.09 0.00 -1.03 0.00 0.00 55.69 53.02 1ilf s MET 101 Cb -0.16 0.04 0.06 0.00 -1.53 0.00 0.00 34.83 33.25 1ilf s MET 101 CO 0.09 -0.41 0.21 0.42 -2.03 0.00 0.00 175.02 173.30 1ilf s ILE 102 N -3.83 4.23 0.09 3.16 -1.09 -1.26 -0.32 121.20 122.17 1ilf s ILE 102 Ca 0.38 -1.20 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1ilf s ILE 102 Cb 0.06 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1ilf s ILE 102 CO 0.16 -0.37 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.73 1ilf s LEU 103 N 1.45 3.44 0.00 2.97 1.43 -0.34 -4.87 118.68 122.76 1ilf s LEU 103 Ca 0.02 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1ilf s LEU 103 Cb -0.21 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1ilf s LEU 103 CO 0.03 0.18 0.00 -3.20 0.23 0.00 0.00 176.35 173.59 1ilf n ASN 104 N 0.59 0.00 -4.03 2.29 2.85 -1.26 0.11 115.26 115.81 1ilf n ASN 104 Ca -0.11 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.06 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 0.01 -0.35 3.58 8.20 0.00 -1.26 -4.89 105.19 110.49 1ilf n GLY 105 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.97 0.00 -0.65 1.61 1.01 0.30 -2.42 120.40 116.28 1ilf s VAL 106 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1ilf s VAL 106 Cb -0.05 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.39 1ilf s VAL 106 CO 0.92 0.00 1.02 0.00 0.00 0.00 0.00 175.10 177.04 1ilf s VAL 108 N 4.35 5.33 -0.18 0.00 -7.23 0.56 0.03 120.40 123.26 1ilf s VAL 108 Ca 0.26 -0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 1ilf s VAL 108 Cb -0.14 -3.69 0.05 0.00 0.56 0.00 0.00 36.38 33.16 1ilf s VAL 108 CO 0.13 -0.01 0.01 -0.63 -0.31 0.00 0.00 175.10 174.30 1ilf s ILE 109 N -1.67 0.66 -0.35 -0.62 1.01 0.19 0.28 121.20 120.69 1ilf s ILE 109 Ca 0.35 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1ilf s ILE 109 Cb -0.12 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1ilf s ILE 109 CO 0.28 -0.09 0.68 0.86 0.00 0.00 0.00 174.94 176.67 1ilf s TRP 110 N 1.81 3.15 -0.06 3.97 -0.00 -0.21 -0.99 118.94 126.60 1ilf s TRP 110 Ca -0.00 0.44 0.05 0.00 -0.00 0.00 0.00 56.10 56.59 1ilf s TRP 110 Cb -0.16 -3.20 -0.01 0.00 -0.00 0.00 0.00 33.47 30.10 1ilf s TRP 110 CO -0.07 -0.64 -0.23 0.21 -0.00 0.00 0.00 176.95 176.22 1ilf s LYS 111 N 2.81 2.62 -0.24 5.86 2.36 -0.43 -1.39 119.74 131.34 1ilf s LYS 111 Ca 0.27 -0.86 -0.37 0.00 -2.55 0.00 0.00 55.97 52.45 1ilf s LYS 111 Cb -0.14 -2.23 0.15 0.00 -1.05 0.00 0.00 37.83 34.56 1ilf s LYS 111 CO 0.15 0.39 1.37 0.20 1.55 0.00 0.00 175.35 179.02 1ilf s GLY 112 N -0.18 -0.26 0.10 5.54 0.00 -0.89 0.27 107.32 111.89 1ilf s GLY 112 Ca -0.03 1.70 0.08 0.00 0.00 0.00 0.00 44.72 46.48 1ilf s GLY 112 CO 0.04 0.54 -0.14 0.66 0.00 0.00 0.00 173.10 174.20 1ilf s TRP 113 N -2.08 2.64 -0.03 1.90 1.48 -0.26 -1.79 118.94 120.80 1ilf s TRP 113 Ca 0.12 -0.21 0.07 0.00 -1.06 0.00 0.00 56.10 55.02 1ilf s TRP 113 Cb 0.01 -1.40 -0.02 0.00 -1.16 0.00 0.00 33.47 30.90 1ilf s TRP 113 CO -0.03 0.40 -0.24 0.42 -4.06 0.00 0.00 176.95 173.44 1ilf s ILE 114 N -1.16 1.88 0.09 0.66 -1.09 0.03 -1.86 121.20 119.74 1ilf s ILE 114 Ca 0.19 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.37 1ilf s ILE 114 Cb -0.11 -1.57 -0.07 0.00 -1.58 0.00 0.00 42.46 39.13 1ilf s ILE 114 CO 0.11 0.53 0.71 1.51 -1.23 0.00 0.00 174.94 176.58 1ilf s ASP 115 N -0.41 7.22 0.00 3.58 -4.77 -0.73 -2.28 116.67 119.28 1ilf s ASP 115 Ca 0.05 1.45 0.00 0.00 -3.30 0.00 0.00 52.55 50.75 1ilf s ASP 115 Cb -0.10 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1ilf s ASP 115 CO 0.00 0.15 0.76 0.18 0.70 0.00 0.00 175.17 176.96 1ilf n LEU 116 N 2.15 0.24 0.02 2.11 4.77 -1.26 -0.94 117.00 124.09 1ilf n LEU 116 Ca -0.06 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.79 1ilf n LEU 116 Cb 0.50 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1ilf n LEU 116 CO 0.45 0.06 -0.13 1.41 -1.33 0.00 0.00 177.39 177.86 1ilf n HIS 117 N -0.35 0.00 0.26 -1.77 8.25 -1.26 -4.78 115.22 115.57 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 0.06 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.14 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ilf h ARG 118 N -0.18 0.00 -3.46 -0.41 2.47 -2.00 -3.48 114.38 107.31 1ilf h ARG 118 Ca -0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 1ilf h ARG 118 Cb 0.19 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.58 1ilf h ARG 118 CO -0.00 0.00 -0.35 1.28 0.56 0.00 0.00 179.97 181.46 1ilf n LEU 119 N -2.53 -2.70 -3.77 3.04 4.77 -0.12 -4.86 117.00 110.84 1ilf n LEU 119 Ca 0.01 -0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 1ilf n LEU 119 Cb 0.51 -1.82 -0.08 0.00 -2.33 0.00 0.00 43.42 39.70 1ilf n LEU 119 CO 0.38 0.33 0.01 1.51 -1.33 0.00 0.00 177.39 178.29 1ilf s ASP 120 N -3.15 -0.15 0.00 -1.43 1.47 -1.24 -1.43 116.67 110.74 1ilf s ASP 120 Ca 0.30 -0.03 0.00 0.00 1.18 0.00 0.00 52.55 54.00 1ilf s ASP 120 Cb -0.13 0.32 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 1ilf s ASP 120 CO 0.37 -0.50 0.00 0.61 0.68 0.00 0.00 175.17 176.33 1ilf n GLY 121 N 1.05 2.38 3.10 2.12 0.00 -0.57 -1.78 105.19 111.50 1ilf n GLY 121 Ca -0.21 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 3.33 0.25 0.44 1.61 1.75 -0.78 -1.79 119.30 124.10 1ilf s MET 122 Ca 0.00 0.56 0.03 0.00 -1.25 0.00 0.00 55.69 55.04 1ilf s MET 122 Cb 0.00 -0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.55 1ilf s MET 122 CO 0.00 -0.15 0.05 0.20 -0.65 0.00 0.00 175.02 174.47 1ilf s GLY 123 N 1.19 2.68 -0.16 2.11 0.00 0.14 -1.10 107.32 112.18 1ilf s GLY 123 Ca -0.09 -1.19 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1ilf s GLY 123 CO -0.09 -2.01 0.88 0.00 0.00 0.00 0.00 173.10 171.88 1ilf s LEU 125 N -0.72 4.35 -0.20 0.00 1.43 -0.84 -1.31 118.68 121.39 1ilf s LEU 125 Ca -0.03 0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1ilf s LEU 125 Cb -0.02 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 44.06 1ilf s LEU 125 CO 0.03 0.29 0.36 -1.61 0.23 0.00 0.00 176.35 175.65 1ilf s GLU 126 N -0.50 0.28 0.23 1.70 2.02 -0.16 -4.18 118.70 118.09 1ilf s GLU 126 Ca 0.16 0.78 -0.17 0.00 0.02 0.00 0.00 54.97 55.76 1ilf s GLU 126 Cb -0.13 -0.08 -0.08 0.00 0.10 0.00 0.00 34.13 33.94 1ilf s GLU 126 CO 0.05 -0.40 0.67 0.12 0.02 0.00 0.00 175.26 175.72 1ilf s PHE 127 N 2.53 3.56 -0.62 1.61 5.36 -1.26 0.53 117.98 129.70 1ilf s PHE 127 Ca 0.04 1.23 -0.22 0.00 -0.96 0.00 0.00 56.93 57.02 1ilf s PHE 127 Cb -0.13 -2.51 0.07 0.00 -0.34 0.00 0.00 43.02 40.10 1ilf s PHE 127 CO -0.13 0.30 0.90 0.34 -1.46 0.00 0.00 175.22 175.17 1ilf s ASP 128 N -1.86 6.21 0.00 6.13 2.15 0.10 -4.85 116.67 124.55 1ilf s ASP 128 Ca 0.44 -0.92 0.21 0.00 0.43 0.00 0.00 52.55 52.71 1ilf s ASP 128 Cb -0.14 -2.40 1.23 0.00 -0.30 0.00 0.00 42.92 41.31 1ilf s ASP 128 CO 0.20 -1.32 1.74 1.21 -0.17 0.00 0.00 175.17 176.84 1ilf n GLU 129 N 7.37 0.93 -0.07 4.34 2.13 -1.26 -2.47 120.64 131.61 1ilf n GLU 129 Ca -0.04 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.70 1ilf n GLU 129 Cb 0.45 -1.35 -0.05 0.00 0.27 0.00 0.00 31.44 30.77 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ilf h GLU 130 N 0.00 0.00 0.04 5.31 4.39 -1.97 -3.23 114.58 119.12 1ilf h GLU 130 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1ilf h GLU 130 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1ilf h GLU 130 CO 0.00 0.39 -1.25 -0.09 -1.16 0.00 0.00 179.01 176.90 1ilf h ARG 131 N -1.00 0.09 -0.23 2.33 9.65 -2.00 -3.32 114.38 119.90 1ilf h ARG 131 Ca -0.06 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.59 1ilf h ARG 131 Cb 0.56 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1ilf h ARG 131 CO -0.03 0.98 -0.20 0.00 2.80 0.00 0.00 179.97 183.51 1ilf h ALA 132 N 0.83 1.23 -0.15 2.80 0.00 -1.69 -2.85 119.26 119.43 1ilf h ALA 132 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1ilf h ALA 132 Cb 1.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1ilf h ALA 132 CO 0.14 0.50 -0.25 -0.56 0.00 0.00 0.00 179.25 179.08 1ilf h GLN 133 N 0.37 0.27 0.00 0.00 3.07 -1.65 -2.48 115.11 114.69 1ilf h GLN 133 Ca 0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 1ilf h GLN 133 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1ilf h GLN 133 CO 0.04 0.51 -0.39 -0.56 0.09 0.00 0.00 178.83 178.52 1ilf h GLN 134 N 0.25 0.00 -1.01 0.06 3.07 -1.63 -2.62 115.11 113.23 1ilf h GLN 134 Ca 0.04 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.92 1ilf h GLN 134 Cb 0.58 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.05 1ilf h GLN 134 CO 0.04 0.39 0.63 0.93 0.09 0.00 0.00 178.83 180.91 1ilf h GLU 135 N 0.00 0.92 -0.50 0.06 4.39 -1.41 0.63 114.58 118.67 1ilf h GLU 135 Ca -0.00 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1ilf h GLU 135 Cb 0.80 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1ilf h GLU 135 CO 0.05 0.61 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.94 1ilf h ASP 136 N 0.95 0.96 -0.05 1.42 3.32 -1.55 0.61 116.42 122.07 1ilf h ASP 136 Ca 0.52 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1ilf h ASP 136 Cb 0.58 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ilf h ASP 136 CO -0.29 1.09 -0.00 0.00 -1.72 0.00 0.00 179.24 178.31 1ilf h ALA 137 N 0.99 0.07 -0.24 3.45 0.00 -0.40 0.14 119.26 123.27 1ilf h ALA 137 Ca 0.13 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1ilf h ALA 137 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ilf h ALA 137 CO 0.05 -0.25 -0.55 -0.07 0.00 0.00 0.00 179.25 178.43 1ilf h LEU 138 N -0.20 0.82 -1.25 0.00 3.38 0.11 -2.79 115.31 115.38 1ilf h LEU 138 Ca 0.01 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1ilf h LEU 138 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ilf h LEU 138 CO 0.00 1.20 -0.05 0.00 0.09 0.00 0.00 178.44 179.69 1ilf h ALA 139 N 0.81 1.01 -3.23 1.53 0.00 0.23 -3.39 119.26 116.22 1ilf h ALA 139 Ca 0.01 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 1ilf h ALA 139 Cb 1.13 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1ilf h ALA 139 CO 0.11 0.06 -0.76 -0.65 0.00 0.00 0.00 179.25 178.02 1ilf s GLN 140 N -3.62 0.79 0.00 0.00 -1.52 0.49 -5.03 119.66 110.77 1ilf s GLN 140 Ca 0.02 -0.93 0.20 0.00 -1.95 0.00 0.00 55.36 52.69 1ilf s GLN 140 Cb 0.09 -2.08 0.16 0.00 -0.22 0.00 0.00 33.01 30.95 1ilf s GLN 140 CO 0.58 -0.88 1.13 1.04 -0.25 0.00 0.00 175.29 176.91