#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 0.03 -0.34 0.03 0.04 -1.26 -4.98 135.00 128.52 1ilf s PRO 2 Ca 0.00 0.43 0.07 0.00 0.04 0.00 0.00 61.00 61.54 1ilf s PRO 2 Cb 0.00 -1.70 0.48 0.00 0.04 0.00 0.00 34.50 33.32 1ilf s PRO 2 CO 0.00 -2.98 1.45 2.89 0.04 0.00 0.00 177.00 178.40 1ilf n ARG 3 N -4.34 2.43 -3.77 4.56 -4.01 -1.26 -4.97 116.66 105.30 1ilf n ARG 3 Ca 0.06 -3.50 -0.13 0.00 -1.04 0.00 0.00 57.85 53.25 1ilf n ARG 3 Cb 0.58 -2.00 -0.12 0.00 -3.04 0.00 0.00 32.46 27.87 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 -3.84 -0.02 0.17 8.89 -7.23 -1.26 -3.98 120.40 113.13 1ilf s VAL 4 Ca 0.49 0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.66 1ilf s VAL 4 Cb 0.42 -0.32 -0.06 0.00 0.56 0.00 0.00 36.38 36.98 1ilf s VAL 4 CO 0.00 0.02 0.42 0.68 -0.31 0.00 0.00 175.10 175.91 1ilf s VAL 5 N 0.55 5.12 0.55 1.32 -7.23 -0.74 -4.97 120.40 114.99 1ilf s VAL 5 Ca -0.04 0.09 0.35 0.00 -1.81 0.00 0.00 61.98 60.57 1ilf s VAL 5 Cb -0.05 -3.63 0.52 0.00 0.56 0.00 0.00 36.38 33.78 1ilf s VAL 5 CO -0.03 -0.01 1.82 1.55 -0.31 0.00 0.00 175.10 178.12 1ilf h PRO 6 N 2.67 0.00 -2.68 4.82 0.13 -2.02 -3.25 132.00 131.66 1ilf h PRO 6 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 1ilf h PRO 6 Cb 1.17 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.90 1ilf h PRO 6 CO 0.71 0.00 -0.82 -0.51 -0.23 0.00 0.00 178.00 177.16 1ilf s ASP 7 N -5.25 3.23 0.20 1.44 1.01 -1.26 -4.99 116.67 111.05 1ilf s ASP 7 Ca -0.05 -1.78 -0.10 0.00 0.71 0.00 0.00 52.55 51.32 1ilf s ASP 7 Cb 0.22 -0.38 0.14 0.00 1.01 0.00 0.00 42.92 43.91 1ilf s ASP 7 CO 0.78 -0.37 1.83 1.56 0.21 0.00 0.00 175.17 179.18 1ilf h GLN 8 N 7.64 0.99 0.00 8.23 7.50 -1.83 -0.19 115.11 137.45 1ilf h GLN 8 Ca -0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 58.95 1ilf h GLN 8 Cb 0.99 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.31 1ilf h GLN 8 CO 0.34 0.72 -0.17 0.07 -1.50 0.00 0.00 178.83 178.29 1ilf h ARG 9 N 0.99 0.00 -0.62 1.46 -0.00 -1.94 0.09 114.38 114.36 1ilf h ARG 9 Ca 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.17 1ilf h ARG 9 Cb -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 1ilf h ARG 9 CO -0.04 0.17 0.11 0.77 -0.00 0.00 0.00 179.97 180.98 1ilf h SER 10 N 0.00 0.97 0.54 0.08 0.02 -1.44 0.48 113.55 114.20 1ilf h SER 10 Ca -0.00 -0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.41 1ilf h SER 10 Cb 0.52 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ilf h SER 10 CO 0.02 0.98 -1.48 0.11 -1.14 0.00 0.00 176.83 175.32 1ilf h LYS 11 N 0.92 0.17 0.00 3.45 6.56 -1.17 -0.10 116.57 126.40 1ilf h LYS 11 Ca 0.19 -0.29 -0.01 0.00 -1.06 0.00 0.00 60.65 59.48 1ilf h LYS 11 Cb 0.41 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1ilf h LYS 11 CO 0.01 1.00 -0.04 0.35 -2.06 0.00 0.00 179.45 178.71 1ilf h PHE 12 N 0.05 0.00 0.00 -1.35 3.04 -0.91 0.44 116.94 118.21 1ilf h PHE 12 Ca -0.21 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.67 1ilf h PHE 12 Cb 1.98 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.47 1ilf h PHE 12 CO 0.04 0.04 -2.05 0.39 -2.02 0.00 0.00 178.31 174.71 1ilf n GLU 13 N -3.13 0.67 -0.06 1.11 1.02 0.17 -4.36 120.64 116.06 1ilf n GLU 13 Ca 0.01 -0.17 -0.06 0.00 -0.02 0.00 0.00 57.16 56.93 1ilf n GLU 13 Cb 0.39 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ilf n ASN 14 N -2.33 2.32 -4.75 1.62 2.85 -0.05 -4.96 115.26 109.96 1ilf n ASN 14 Ca -0.09 -0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.97 1ilf n ASN 14 Cb 0.66 0.72 -0.02 0.00 1.24 0.00 0.00 39.78 42.39 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 -2.27 4.22 0.00 1.20 2.02 0.15 -4.89 118.70 119.13 1ilf s GLU 15 Ca -0.06 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1ilf s GLU 15 Cb 0.03 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1ilf s GLU 15 CO 0.44 -0.47 0.56 -0.85 0.02 0.00 0.00 175.26 174.96 1ilf n GLU 16 N 1.92 0.00 -0.25 1.61 0.28 -1.26 0.82 120.64 123.75 1ilf n GLU 16 Ca 0.06 0.21 0.17 0.00 -0.16 0.00 0.00 57.16 57.44 1ilf n GLU 16 Cb 0.39 -1.10 0.47 0.00 1.43 0.00 0.00 31.44 32.63 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 0.64 0.00 -1.84 3.04 -1.98 1.35 116.94 118.16 1ilf h PHE 17 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1ilf h PHE 17 Cb 0.00 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1ilf h PHE 17 CO 0.08 0.19 -0.31 0.35 -2.02 0.00 0.00 178.31 176.60 1ilf h PHE 18 N 0.50 0.00 0.00 0.41 3.04 -1.89 -0.29 116.94 118.71 1ilf h PHE 18 Ca 0.47 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.42 1ilf h PHE 18 Cb 1.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1ilf h PHE 18 CO -0.00 0.31 -0.10 0.00 -2.02 0.00 0.00 178.31 176.49 1ilf h ARG 19 N 0.00 0.00 -1.15 1.11 3.08 0.79 0.55 114.38 118.76 1ilf h ARG 19 Ca -0.00 0.00 0.33 0.00 0.07 0.00 0.00 59.98 60.38 1ilf h ARG 19 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1ilf h ARG 19 CO 0.04 0.00 0.83 1.57 -1.07 0.00 0.00 179.97 181.34 1ilf h LYS 20 N -0.72 0.01 0.08 0.04 2.10 -0.27 0.92 116.57 118.72 1ilf h LYS 20 Ca 0.00 -0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 1ilf h LYS 20 Cb 0.10 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 1ilf h LYS 20 CO 0.00 0.00 -1.79 -0.07 -2.00 0.00 0.00 179.45 175.59 1ilf h LEU 21 N 0.01 0.26 -0.98 7.07 3.38 -1.15 -3.31 115.31 120.58 1ilf h LEU 21 Ca 0.55 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ilf h LEU 21 Cb 2.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1ilf h LEU 21 CO -0.01 1.46 0.13 -1.20 0.09 0.00 0.00 178.44 178.92 1ilf n SER 22 N -3.32 0.38 -1.42 -0.43 7.64 0.31 -2.01 113.62 114.77 1ilf n SER 22 Ca -0.23 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1ilf n SER 22 Cb 1.05 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -2.04 1.55 -4.67 1.43 5.12 -0.48 -3.81 116.66 113.76 1ilf n ARG 23 Ca -0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1ilf n ARG 23 Cb 0.16 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.34 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1ilf s GLU 24 N -0.48 2.55 0.00 5.56 -1.05 -1.26 -2.13 118.70 121.88 1ilf s GLU 24 Ca 0.00 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1ilf s GLU 24 Cb 0.00 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.23 1ilf s GLU 24 CO 0.00 0.62 0.00 0.00 0.95 0.00 0.00 175.26 176.83 1ilf s GLU 26 N -0.51 4.22 0.14 0.00 2.02 -1.26 -1.23 118.70 122.07 1ilf s GLU 26 Ca 0.00 0.37 0.06 0.00 0.02 0.00 0.00 54.97 55.42 1ilf s GLU 26 Cb 0.00 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1ilf s GLU 26 CO 0.00 -0.06 0.02 0.96 0.02 0.00 0.00 175.26 176.20 1ilf s ILE 27 N 1.36 3.98 0.13 -1.63 -4.36 0.30 -1.84 121.20 119.14 1ilf s ILE 27 Ca 0.23 -1.19 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 1ilf s ILE 27 Cb -0.15 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1ilf s ILE 27 CO 0.09 -0.02 -0.10 -1.59 0.24 0.00 0.00 174.94 173.57 1ilf s LYS 28 N -2.72 1.01 0.11 0.37 -2.85 0.64 0.26 119.74 116.56 1ilf s LYS 28 Ca 0.27 -1.41 -0.19 0.00 -1.00 0.00 0.00 55.97 53.64 1ilf s LYS 28 Cb -0.10 -0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 35.05 1ilf s LYS 28 CO 0.19 0.06 0.61 -0.47 0.10 0.00 0.00 175.35 175.85 1ilf s TYR 29 N -3.30 3.78 0.00 1.78 5.04 0.18 0.50 117.35 125.33 1ilf s TYR 29 Ca 0.15 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1ilf s TYR 29 Cb 0.03 -2.53 0.00 0.00 0.35 0.00 0.00 41.96 39.80 1ilf s TYR 29 CO -0.00 0.53 0.00 0.25 -1.34 0.00 0.00 175.55 174.98 1ilf n THR 30 N 1.45 0.00 0.00 4.34 -2.24 -1.19 -4.79 114.28 111.86 1ilf n THR 30 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1ilf n THR 30 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 -0.05 1.32 3.38 0.00 -1.24 -1.62 105.19 106.98 1ilf n GLY 31 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 0.00 0.81 1.61 -1.74 -1.26 -4.82 117.46 112.06 1ilf n PHE 32 Ca 0.00 -0.50 0.12 0.00 -0.56 0.00 0.00 57.45 56.51 1ilf n PHE 32 Cb 0.00 -0.14 0.24 0.00 1.52 0.00 0.00 39.48 41.09 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 0.33 0.13 0.32 3.97 -4.01 -0.64 -4.00 116.66 112.76 1ilf n ARG 33 Ca 0.06 0.03 0.14 0.00 -1.04 0.00 0.00 57.85 57.04 1ilf n ARG 33 Cb 1.07 -1.58 0.69 0.00 -3.04 0.00 0.00 32.46 29.60 1ilf n ARG 33 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1ilf h ASP 34 N 0.00 0.00 0.00 2.89 3.58 -1.88 -3.14 116.42 117.87 1ilf h ASP 34 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ilf h ASP 34 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1ilf h ASP 34 CO 0.00 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 174.25 1ilf n ARG 35 N -2.88 0.00 -2.39 0.28 0.00 -1.26 -4.88 116.66 105.53 1ilf n ARG 35 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.47 1ilf n ARG 35 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.93 1ilf n ARG 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ilf s PRO 36 N 3.58 3.43 0.26 2.89 0.04 -1.26 -4.77 135.00 139.17 1ilf s PRO 36 Ca 0.00 -1.67 -0.01 0.00 0.04 0.00 0.00 61.00 59.36 1ilf s PRO 36 Cb 0.00 -5.43 0.56 0.00 0.04 0.00 0.00 34.50 29.67 1ilf s PRO 36 CO 0.00 -2.89 1.71 1.25 0.04 0.00 0.00 177.00 177.11 1ilf h HIS 37 N 8.42 0.54 -0.38 0.56 2.76 -1.86 0.39 115.15 125.57 1ilf h HIS 37 Ca 0.36 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.68 1ilf h HIS 37 Cb 0.90 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1ilf h HIS 37 CO 1.35 0.01 0.33 1.05 -1.30 0.00 0.00 177.93 179.37 1ilf h GLU 38 N 0.42 0.00 0.14 5.26 -0.00 -1.90 0.29 114.58 118.79 1ilf h GLU 38 Ca 0.47 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.50 1ilf h GLU 38 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.54 1ilf h GLU 38 CO -0.46 0.00 -1.65 1.49 -0.00 0.00 0.00 179.01 178.39 1ilf h GLU 39 N 0.00 0.30 -0.20 1.06 4.57 -0.72 -3.24 114.58 116.35 1ilf h GLU 39 Ca 0.18 -0.52 0.06 0.00 -1.18 0.00 0.00 59.36 57.90 1ilf h GLU 39 Cb 0.84 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1ilf h GLU 39 CO -0.00 1.18 0.31 0.00 -1.18 0.00 0.00 179.01 179.32 1ilf h ARG 40 N 0.08 0.00 -1.00 1.92 -0.00 0.14 0.33 114.38 115.84 1ilf h ARG 40 Ca -0.29 0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.27 1ilf h ARG 40 Cb 2.05 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.95 1ilf h ARG 40 CO 0.16 0.00 0.64 -0.56 0.00 0.00 0.00 179.97 180.21 1ilf h GLN 41 N 0.00 1.09 0.04 0.04 -0.00 -1.21 1.07 115.11 116.14 1ilf h GLN 41 Ca 0.10 -0.07 -0.27 0.00 -0.00 0.00 0.00 58.65 58.41 1ilf h GLN 41 Cb 0.71 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.48 27.91 1ilf h GLN 41 CO -0.00 0.72 -1.44 1.15 -0.00 0.00 0.00 178.83 179.26 1ilf h THR 42 N 1.12 1.20 -0.33 1.86 2.02 -0.63 -2.56 112.91 115.59 1ilf h THR 42 Ca 0.45 -2.95 -0.02 0.00 0.77 0.00 0.00 66.41 64.66 1ilf h THR 42 Cb 0.26 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1ilf h THR 42 CO -0.20 0.75 0.10 0.03 0.37 0.00 0.00 175.52 176.57 1ilf h ARG 43 N 0.02 0.47 0.23 6.66 2.47 0.33 0.87 114.38 125.43 1ilf h ARG 43 Ca -0.19 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1ilf h ARG 43 Cb 1.94 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 1ilf h ARG 43 CO 0.12 0.42 -0.11 0.35 0.56 0.00 0.00 179.97 181.31 1ilf h PHE 44 N 0.47 -0.29 -0.16 3.04 3.57 0.11 0.12 116.94 123.80 1ilf h PHE 44 Ca 0.11 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1ilf h PHE 44 Cb 0.15 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1ilf h PHE 44 CO 0.01 -0.00 0.18 -0.56 -2.23 0.00 0.00 178.31 175.70 1ilf h GLN 45 N -1.01 0.00 0.00 1.11 -0.00 -1.27 0.61 115.11 114.56 1ilf h GLN 45 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.49 1ilf h GLN 45 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.87 1ilf h GLN 45 CO 0.05 0.00 -0.85 -0.97 -0.00 0.00 0.00 178.83 177.06 1ilf h ASN 46 N 0.00 0.00 0.62 0.06 -0.73 0.81 -3.20 115.58 113.14 1ilf h ASN 46 Ca 0.07 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.07 1ilf h ASN 46 Cb 0.43 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.00 1ilf h ASN 46 CO -0.00 0.54 -0.78 0.00 -0.37 0.00 0.00 177.43 176.82 1ilf h ALA 47 N 1.46 0.68 0.00 1.57 0.00 0.29 -2.43 119.26 120.83 1ilf h ALA 47 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1ilf h ALA 47 Cb 1.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ilf h ALA 47 CO 0.06 0.90 -0.02 0.00 0.00 0.00 0.00 179.25 180.18 1ilf h ARG 49 N 0.00 0.00 -0.27 0.00 2.43 -1.49 -2.90 114.38 112.16 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 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1ilf h ARG 49 CO 0.00 0.27 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 1ilf n ASP 50 N -3.29 3.07 -2.61 -3.80 9.92 0.73 -4.45 116.55 116.13 1ilf n ASP 50 Ca 0.01 -1.90 -0.18 0.00 -0.53 0.00 0.00 54.79 52.19 1ilf n ASP 50 Cb 0.53 -0.17 0.04 0.00 -0.64 0.00 0.00 41.12 40.88 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 1.21 -0.28 3.24 0.44 0.00 -0.40 -4.90 105.19 104.50 1ilf n GLY 51 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.63 0.35 0.17 1.61 0.52 -0.84 0.48 118.95 115.61 1ilf s ARG 52 Ca 0.31 0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 56.25 1ilf s ARG 52 Cb -0.13 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1ilf s ARG 52 CO 0.38 -0.18 0.23 -1.12 0.02 0.00 0.00 175.30 174.63 1ilf s SER 53 N 1.62 0.11 -0.27 0.23 0.01 -0.86 -4.21 113.70 110.32 1ilf s SER 53 Ca -0.08 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.15 1ilf s SER 53 Cb -0.09 0.41 0.08 0.00 0.21 0.00 0.00 66.02 66.63 1ilf s SER 53 CO -0.12 -0.87 0.02 -0.70 0.41 0.00 0.00 173.24 171.98 1ilf s GLU 54 N -4.02 1.23 0.03 12.44 2.12 -1.26 -2.06 118.70 127.18 1ilf s GLU 54 Ca 0.23 -1.13 0.04 0.00 0.36 0.00 0.00 54.97 54.47 1ilf s GLU 54 Cb 0.04 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1ilf s GLU 54 CO 0.03 -0.78 -0.06 0.42 -0.54 0.00 0.00 175.26 174.33 1ilf s ILE 55 N 1.41 3.66 -0.19 -3.70 -1.09 -0.54 -3.16 121.20 117.59 1ilf s ILE 55 Ca 0.02 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 1ilf s ILE 55 Cb -0.18 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1ilf s ILE 55 CO -0.12 0.30 0.06 0.00 -1.23 0.00 0.00 174.94 173.95 1ilf s ALA 56 N -1.08 3.36 -0.16 9.38 0.00 0.18 -1.35 121.76 132.09 1ilf s ALA 56 Ca 0.19 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1ilf s ALA 56 Cb -0.11 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1ilf s ALA 56 CO 0.10 0.08 0.89 0.12 0.00 0.00 0.00 175.76 176.95 1ilf s PHE 57 N 0.56 3.44 -0.20 0.00 5.36 -0.14 -0.26 117.98 126.74 1ilf s PHE 57 Ca 0.03 1.36 0.23 0.00 -0.96 0.00 0.00 56.93 57.59 1ilf s PHE 57 Cb -0.13 -3.08 0.55 0.00 -0.34 0.00 0.00 43.02 40.02 1ilf s PHE 57 CO 0.01 -0.25 1.67 0.28 -1.46 0.00 0.00 175.22 175.47 1ilf h VAL 58 N 5.18 0.27 0.34 3.12 2.07 -1.69 0.22 116.25 125.77 1ilf h VAL 58 Ca -0.29 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1ilf h VAL 58 Cb 1.13 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1ilf h VAL 58 CO 0.85 0.14 -0.33 0.00 0.02 0.00 0.00 177.57 178.26 1ilf h ALA 59 N 1.86 -0.71 0.00 1.67 0.00 -1.92 -3.33 119.26 116.82 1ilf h ALA 59 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ilf h ALA 59 Cb 0.96 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ilf h ALA 59 CO 0.02 -0.93 -0.11 0.25 0.00 0.00 0.00 179.25 178.48 1ilf n THR 60 N -5.44 1.02 -2.54 0.00 -2.24 -1.25 -4.99 114.28 98.84 1ilf n THR 60 Ca -0.10 -1.17 -0.21 0.00 -2.27 0.00 0.00 64.05 60.30 1ilf n THR 60 Cb 0.34 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.71 -0.51 3.68 3.38 0.00 0.75 -4.95 105.19 106.83 1ilf n GLY 61 Ca 0.07 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.07 4.97 0.29 2.61 -1.32 -1.08 -4.78 115.64 113.26 1ilf s THR 62 Ca 0.07 1.43 -0.28 0.00 -1.21 0.00 0.00 61.69 61.70 1ilf s THR 62 Cb -0.03 -4.05 -0.09 0.00 -1.51 0.00 0.00 72.50 66.82 1ilf s THR 62 CO 0.08 0.12 0.95 0.21 -2.21 0.00 0.00 174.62 173.77 1ilf s ASN 63 N 1.07 7.45 -0.05 8.08 3.84 -1.26 -0.97 114.94 133.11 1ilf s ASN 63 Ca 0.35 1.90 -0.02 0.00 0.21 0.00 0.00 52.86 55.30 1ilf s ASN 63 Cb -0.17 -2.59 0.04 0.00 -0.55 0.00 0.00 41.25 37.98 1ilf s ASN 63 CO 0.13 0.01 0.10 -0.76 -2.79 0.00 0.00 177.10 173.80 1ilf s LEU 64 N -1.69 0.57 -0.30 3.21 1.02 -0.46 -4.95 118.68 116.08 1ilf s LEU 64 Ca 0.46 0.20 -0.05 0.00 0.02 0.00 0.00 54.13 54.76 1ilf s LEU 64 Cb -0.22 0.15 0.02 0.00 0.02 0.00 0.00 46.19 46.16 1ilf s LEU 64 CO 0.28 -0.18 0.05 -0.44 0.02 0.00 0.00 176.35 176.08 1ilf s SER 65 N 1.52 4.98 0.14 2.29 0.01 -1.26 -1.47 113.70 119.91 1ilf s SER 65 Ca -0.05 -0.90 0.10 0.00 1.31 0.00 0.00 55.95 56.41 1ilf s SER 65 Cb -0.12 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1ilf s SER 65 CO -0.05 -0.22 -0.24 -0.76 0.41 0.00 0.00 173.24 172.39 1ilf s LEU 66 N 1.42 2.35 -0.32 2.44 1.02 -0.87 -5.03 118.68 119.68 1ilf s LEU 66 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.40 1ilf s LEU 66 Cb -0.18 -1.07 0.08 0.00 0.02 0.00 0.00 46.19 45.04 1ilf s LEU 66 CO 0.01 0.11 0.02 -1.10 0.02 0.00 0.00 176.35 175.41 1ilf s GLN 67 N -2.20 1.97 -0.21 1.70 1.11 -1.26 -2.03 119.66 118.75 1ilf s GLN 67 Ca 0.13 -1.60 -0.07 0.00 0.01 0.00 0.00 55.36 53.83 1ilf s GLN 67 Cb -0.09 -3.18 -0.03 0.00 -1.01 0.00 0.00 33.01 28.70 1ilf s GLN 67 CO 0.06 -0.79 0.06 -0.59 0.01 0.00 0.00 175.29 174.03 1ilf s PHE 68 N 1.07 3.14 -0.19 0.91 -0.12 0.18 -4.54 117.98 118.43 1ilf s PHE 68 Ca 0.02 -0.19 -0.26 0.00 -0.05 0.00 0.00 56.93 56.44 1ilf s PHE 68 Cb -0.20 -2.15 0.07 0.00 -0.63 0.00 0.00 43.02 40.11 1ilf s PHE 68 CO -0.05 -0.11 0.68 -0.06 -0.05 0.00 0.00 175.22 175.63 1ilf s PHE 69 N 0.98 -0.71 -0.38 3.49 0.08 -1.26 -4.18 117.98 115.99 1ilf s PHE 69 Ca 0.04 1.58 -0.39 0.00 0.12 0.00 0.00 56.93 58.27 1ilf s PHE 69 Cb -0.14 0.31 -0.15 0.00 -0.57 0.00 0.00 43.02 42.47 1ilf s PHE 69 CO 0.03 -0.45 2.05 -2.30 -0.10 0.00 0.00 175.22 174.45 1ilf n PRO 70 N 2.08 0.75 0.31 0.24 -0.02 -1.26 -4.77 135.00 132.33 1ilf n PRO 70 Ca -0.16 0.23 0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1ilf n PRO 70 Cb 0.56 -2.07 0.94 0.00 -0.02 0.00 0.00 33.50 32.90 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 9.91 1.34 -0.32 3.55 0.00 -1.99 0.17 119.26 131.91 1ilf h ALA 71 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ilf h ALA 71 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ilf h ALA 71 CO 1.02 -0.24 0.00 0.45 0.00 0.00 0.00 179.25 180.48 1ilf n SER 72 N -3.11 3.20 -4.52 0.00 2.88 -1.26 -4.86 113.62 105.95 1ilf n SER 72 Ca -0.01 -2.39 -0.33 0.00 -1.33 0.00 0.00 58.87 54.81 1ilf n SER 72 Cb 0.29 -0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 1ilf n SER 72 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1ilf s TRP 73 N -1.83 2.86 -0.19 0.66 0.52 0.59 -5.02 118.94 116.53 1ilf s TRP 73 Ca 0.28 -0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.24 1ilf s TRP 73 Cb 0.20 -1.72 -0.22 0.00 -1.15 0.00 0.00 33.47 30.59 1ilf s TRP 73 CO 0.10 0.21 0.09 1.04 0.02 0.00 0.00 176.95 178.41 1ilf n GLN 74 N 2.47 0.70 0.00 4.98 6.02 -1.26 -4.94 117.38 125.35 1ilf n GLN 74 Ca -0.18 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1ilf n GLN 74 Cb 0.53 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ilf n GLY 75 N 2.04 -2.00 2.76 1.08 0.00 -1.26 -5.05 105.19 102.75 1ilf n GLY 75 Ca -0.39 0.95 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 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 4.19 -0.03 1.61 1.02 -1.26 -4.74 120.64 121.43 1ilf n GLU 76 Ca 0.00 -4.26 0.03 0.00 -0.02 0.00 0.00 57.16 52.91 1ilf n GLU 76 Cb 0.00 -2.37 0.40 0.00 -0.02 0.00 0.00 31.44 29.45 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 3.58 0.60 -0.32 3.49 1.08 -1.99 -2.57 115.11 118.98 1ilf h GLN 77 Ca 0.51 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.73 1ilf h GLN 77 Cb 0.26 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 1ilf h GLN 77 CO 1.23 0.41 -0.08 0.00 -0.95 0.00 0.00 178.83 179.43 1ilf h ARG 78 N 0.61 -0.01 -7.11 1.46 2.47 -2.04 -3.42 114.38 106.35 1ilf h ARG 78 Ca 0.16 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.39 1ilf h ARG 78 Cb -0.05 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.32 1ilf h ARG 78 CO -0.03 -0.00 0.23 -0.65 0.56 0.00 0.00 179.97 180.07 1ilf s GLN 79 N -6.21 3.49 0.32 0.04 -0.21 -0.97 -5.07 119.66 111.06 1ilf s GLN 79 Ca -0.14 0.37 -0.20 0.00 0.02 0.00 0.00 55.36 55.42 1ilf s GLN 79 Cb 0.13 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.78 1ilf s GLN 79 CO 0.70 -0.39 0.82 -0.08 -2.12 0.00 0.00 175.29 174.22 1ilf s THR 80 N -2.93 4.49 1.05 -0.19 -1.32 -1.26 -4.95 115.64 110.53 1ilf s THR 80 Ca 0.51 1.34 -0.24 0.00 -1.21 0.00 0.00 61.69 62.09 1ilf s THR 80 Cb -0.11 -3.76 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 1ilf s THR 80 CO 0.48 -0.04 -0.97 -0.81 -2.21 0.00 0.00 174.62 171.07 1ilf n PRO 81 N 0.06 -0.60 -4.30 7.08 -0.04 -1.26 -4.99 135.00 130.94 1ilf n PRO 81 Ca 0.02 -0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 1ilf n PRO 81 Cb 0.52 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 1ilf n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ilf s SER 82 N -1.31 4.83 0.07 3.54 1.04 -1.26 -4.99 113.70 115.62 1ilf s SER 82 Ca 0.43 -0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1ilf s SER 82 Cb 0.02 -1.15 0.50 0.00 0.10 0.00 0.00 66.02 65.49 1ilf s SER 82 CO 0.66 0.24 1.34 0.54 0.98 0.00 0.00 173.24 177.01 1ilf n ARG 83 N 1.17 0.04 0.09 4.02 3.00 -0.93 -0.31 116.66 123.74 1ilf n ARG 83 Ca -0.14 0.42 -0.13 0.00 -0.01 0.00 0.00 57.85 57.99 1ilf n ARG 83 Cb 0.52 -1.60 -0.07 0.00 0.00 0.00 0.00 32.46 31.31 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ilf h GLU 84 N 0.00 -0.16 0.00 5.56 5.08 -1.94 -3.27 114.58 119.85 1ilf h GLU 84 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ilf h GLU 84 Cb 0.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ilf h GLU 84 CO 0.00 -0.11 -1.75 0.66 -1.00 0.00 0.00 179.01 176.81 1ilf n TYR 85 N -5.17 0.00 -3.48 4.33 4.02 -1.08 -4.22 117.16 111.56 1ilf n TYR 85 Ca -0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.63 1ilf n TYR 85 Cb 0.10 -0.41 -0.12 0.00 -0.02 0.00 0.00 39.34 38.89 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 -2.97 -0.33 0.20 -0.72 -7.23 0.58 0.29 120.40 110.22 1ilf s VAL 86 Ca -0.06 -0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.68 1ilf s VAL 86 Cb 0.09 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 1ilf s VAL 86 CO 0.64 -0.25 0.80 -0.62 -0.31 0.00 0.00 175.10 175.35 1ilf s ASP 87 N 2.33 7.34 0.00 4.85 -1.08 -0.06 -2.18 116.67 127.86 1ilf s ASP 87 Ca 0.07 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 1ilf s ASP 87 Cb -0.16 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1ilf s ASP 87 CO -0.15 0.14 0.71 0.18 0.52 0.00 0.00 175.17 176.56 1ilf n LEU 88 N 1.29 0.00 -4.83 -1.34 7.99 -1.26 -4.53 117.00 114.32 1ilf n LEU 88 Ca -0.04 -0.64 -0.24 0.00 -0.01 0.00 0.00 56.01 55.09 1ilf n LEU 88 Cb 0.49 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.76 1ilf n LEU 88 CO 0.46 0.27 -0.05 -0.70 -1.51 0.00 0.00 177.39 175.86 1ilf s GLU 89 N 0.00 2.35 -1.04 3.23 2.56 -1.26 -5.06 118.70 119.47 1ilf s GLU 89 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 54.97 53.16 1ilf s GLU 89 Cb 0.00 -2.15 0.31 0.00 2.00 0.00 0.00 34.13 34.29 1ilf s GLU 89 CO 0.00 -0.26 1.46 2.89 -0.56 0.00 0.00 175.26 178.79 1ilf n ARG 90 N -1.48 4.43 -0.36 4.30 0.00 -1.26 -4.75 116.66 117.55 1ilf n ARG 90 Ca 0.00 -4.58 0.06 0.00 -0.00 0.00 0.00 57.85 53.34 1ilf n ARG 90 Cb 0.63 -2.49 0.22 0.00 -0.00 0.00 0.00 32.46 30.83 1ilf n ARG 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ilf n GLU 91 N 1.17 2.58 0.00 2.89 2.13 -1.26 -4.62 120.64 123.53 1ilf n GLU 91 Ca 0.28 -1.77 0.00 0.00 0.66 0.00 0.00 57.16 56.33 1ilf n GLU 91 Cb 0.33 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1ilf n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ilf n ALA 92 N 0.68 0.00 0.00 4.31 0.00 -1.26 -5.00 120.51 119.24 1ilf n ALA 92 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ilf n ALA 92 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 0.81 3.60 0.00 0.00 -1.26 -5.13 105.19 103.20 1ilf n GLY 93 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.01 -0.20 1.61 3.01 -1.26 -4.37 119.74 120.53 1ilf s LYS 94 Ca 0.00 -2.24 0.01 0.00 -1.01 0.00 0.00 55.97 52.72 1ilf s LYS 94 Cb 0.00 -0.98 0.02 0.00 -1.01 0.00 0.00 37.83 35.87 1ilf s LYS 94 CO 0.00 -0.41 -0.16 0.54 0.51 0.00 0.00 175.35 175.84 1ilf s VAL 95 N -3.08 2.29 -0.02 3.17 0.11 -0.74 -4.66 120.40 117.47 1ilf s VAL 95 Ca 0.18 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1ilf s VAL 95 Cb 0.03 -2.06 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1ilf s VAL 95 CO 0.11 0.40 -0.01 -0.72 -3.33 0.00 0.00 175.10 171.55 1ilf s TYR 96 N 1.28 3.07 0.11 1.54 -0.85 -1.26 -1.42 117.35 119.82 1ilf s TYR 96 Ca 0.02 0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.69 1ilf s TYR 96 Cb -0.15 -1.70 -0.04 0.00 0.38 0.00 0.00 41.96 40.46 1ilf s TYR 96 CO -0.10 0.45 -0.07 -0.48 -1.52 0.00 0.00 175.55 173.83 1ilf s LEU 97 N -1.34 2.51 -0.09 -3.49 -0.00 -0.48 -0.88 118.68 114.90 1ilf s LEU 97 Ca 0.17 -1.00 0.01 0.00 -0.00 0.00 0.00 54.13 53.31 1ilf s LEU 97 Cb -0.11 -0.12 0.02 0.00 -0.00 0.00 0.00 46.19 45.97 1ilf s LEU 97 CO 0.08 -0.44 -0.10 -0.75 -0.00 0.00 0.00 176.35 175.14 1ilf s LYS 98 N -3.80 1.64 -0.07 1.48 2.20 0.15 -2.30 119.74 119.04 1ilf s LYS 98 Ca 0.13 -0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1ilf s LYS 98 Cb 0.05 -1.53 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 1ilf s LYS 98 CO -0.04 -0.13 -0.19 0.00 -0.36 0.00 0.00 175.35 174.63 1ilf s ALA 99 N 1.22 1.72 -0.33 3.13 0.00 -0.90 -4.37 121.76 122.22 1ilf s ALA 99 Ca -0.04 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 1ilf s ALA 99 Cb -0.14 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 1ilf s ALA 99 CO -0.03 0.26 0.59 -1.25 0.00 0.00 0.00 175.76 175.33 1ilf s PRO 100 N 0.26 3.75 0.38 0.00 0.04 -1.26 -1.81 135.00 136.35 1ilf s PRO 100 Ca -0.11 0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.05 1ilf s PRO 100 Cb -0.15 -3.78 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 1ilf s PRO 100 CO 0.05 -0.64 0.05 -1.64 0.04 0.00 0.00 177.00 174.86 1ilf s MET 101 N 2.57 1.83 -0.39 4.56 -1.94 0.14 -4.97 119.30 121.09 1ilf s MET 101 Ca 0.23 -2.06 -0.07 0.00 -1.71 0.00 0.00 55.69 52.08 1ilf s MET 101 Cb -0.15 -1.10 0.07 0.00 2.01 0.00 0.00 34.83 35.66 1ilf s MET 101 CO 0.13 -0.21 0.19 0.42 -0.01 0.00 0.00 175.02 175.54 1ilf s ILE 102 N -3.09 3.87 0.11 2.53 -1.09 -1.26 -0.45 121.20 121.82 1ilf s ILE 102 Ca 0.31 -1.43 0.07 0.00 -2.23 0.00 0.00 60.65 57.37 1ilf s ILE 102 Cb 0.07 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1ilf s ILE 102 CO 0.15 -0.42 -0.06 -0.76 -1.23 0.00 0.00 174.94 172.62 1ilf s LEU 103 N 1.36 3.19 0.00 2.97 1.43 -0.37 -4.89 118.68 122.37 1ilf s LEU 103 Ca 0.02 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ilf s LEU 103 Cb -0.22 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1ilf s LEU 103 CO 0.01 0.17 0.00 0.59 0.23 0.00 0.00 176.35 177.35 1ilf n ASN 104 N 0.56 0.00 -4.28 2.29 4.13 -1.26 0.12 115.26 116.82 1ilf n ASN 104 Ca -0.12 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.81 1ilf n ASN 104 Cb 0.53 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.68 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ilf n GLY 105 N 0.03 -0.20 3.60 7.41 0.00 -1.26 -4.82 105.19 109.95 1ilf n GLY 105 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.28 0.00 -0.55 1.61 1.01 0.34 -1.80 120.40 116.73 1ilf s VAL 106 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 1ilf s VAL 106 Cb -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1ilf s VAL 106 CO 0.99 0.00 1.10 0.00 0.00 0.00 0.00 175.10 177.19 1ilf s VAL 108 N 4.52 5.11 -0.26 0.00 -7.23 0.40 0.61 120.40 123.54 1ilf s VAL 108 Ca 0.40 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.47 1ilf s VAL 108 Cb -0.09 -3.29 0.07 0.00 0.56 0.00 0.00 36.38 33.63 1ilf s VAL 108 CO 0.25 0.46 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.82 1ilf s ILE 109 N -1.13 1.86 -0.28 -0.62 1.01 0.19 0.24 121.20 122.47 1ilf s ILE 109 Ca 0.20 -1.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 1ilf s ILE 109 Cb -0.12 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1ilf s ILE 109 CO 0.10 -0.18 0.63 0.86 0.00 0.00 0.00 174.94 176.35 1ilf s TRP 110 N 1.21 3.25 -0.10 3.97 -0.00 -0.75 -0.99 118.94 125.53 1ilf s TRP 110 Ca -0.04 0.70 0.03 0.00 -0.00 0.00 0.00 56.10 56.79 1ilf s TRP 110 Cb -0.19 -2.91 -0.01 0.00 -0.00 0.00 0.00 33.47 30.36 1ilf s TRP 110 CO -0.07 -0.40 -0.19 0.15 -0.00 0.00 0.00 176.95 176.44 1ilf s LYS 111 N 2.55 3.02 -0.15 5.86 1.02 0.29 -2.13 119.74 130.21 1ilf s LYS 111 Ca 0.26 -0.79 -0.31 0.00 0.02 0.00 0.00 55.97 55.14 1ilf s LYS 111 Cb -0.15 -2.41 0.13 0.00 -0.52 0.00 0.00 37.83 34.88 1ilf s LYS 111 CO 0.10 0.28 1.09 0.20 -0.92 0.00 0.00 175.35 176.10 1ilf s GLY 112 N 0.13 -0.27 0.16 -3.33 0.00 -0.97 0.14 107.32 103.18 1ilf s GLY 112 Ca -0.10 1.77 0.11 0.00 0.00 0.00 0.00 44.72 46.50 1ilf s GLY 112 CO 0.06 0.72 -0.24 0.66 0.00 0.00 0.00 173.10 174.30 1ilf s TRP 113 N -1.98 2.35 0.03 1.90 1.48 -0.48 -1.39 118.94 120.86 1ilf s TRP 113 Ca 0.05 -0.35 0.08 0.00 -1.06 0.00 0.00 56.10 54.82 1ilf s TRP 113 Cb -0.01 -1.21 -0.03 0.00 -1.16 0.00 0.00 33.47 31.07 1ilf s TRP 113 CO -0.04 0.44 -0.24 0.42 -4.06 0.00 0.00 176.95 173.46 1ilf s ILE 114 N -1.42 1.94 0.11 0.66 -1.09 -0.51 -1.71 121.20 119.18 1ilf s ILE 114 Ca 0.18 -1.26 -0.24 0.00 -2.23 0.00 0.00 60.65 57.11 1ilf s ILE 114 Cb -0.09 -1.66 -0.07 0.00 -1.58 0.00 0.00 42.46 39.06 1ilf s ILE 114 CO 0.09 0.35 0.72 1.51 -1.23 0.00 0.00 174.94 176.37 1ilf s ASP 115 N -1.09 7.26 0.00 3.58 -4.77 -0.73 -1.79 116.67 119.13 1ilf s ASP 115 Ca 0.10 1.49 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 1ilf s ASP 115 Cb -0.09 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1ilf s ASP 115 CO 0.01 0.18 0.65 0.18 0.70 0.00 0.00 175.17 176.89 1ilf n LEU 116 N 1.91 0.19 -0.00 2.11 4.77 -1.26 -0.98 117.00 123.74 1ilf n LEU 116 Ca -0.06 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 1ilf n LEU 116 Cb 0.50 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ilf n LEU 116 CO 0.45 0.05 -0.08 1.57 -1.33 0.00 0.00 177.39 178.05 1ilf n HIS 117 N -0.34 0.00 1.07 -1.77 -0.00 -1.26 -4.78 115.22 108.15 1ilf n HIS 117 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1ilf n HIS 117 Cb 0.05 -0.06 0.29 0.00 -0.12 0.00 0.00 29.99 30.15 1ilf n HIS 117 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1ilf n ARG 118 N -2.92 0.24 -2.54 1.57 1.85 -1.26 -4.94 116.66 108.66 1ilf n ARG 118 Ca -0.02 -0.14 -0.15 0.00 -1.00 0.00 0.00 57.85 56.55 1ilf n ARG 118 Cb 0.06 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.98 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ilf n LEU 119 N -1.26 -2.01 -4.11 2.89 4.77 -0.16 -4.79 117.00 112.33 1ilf n LEU 119 Ca 0.07 -0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.75 1ilf n LEU 119 Cb 0.34 -2.18 -0.14 0.00 -2.33 0.00 0.00 43.42 39.12 1ilf n LEU 119 CO 0.32 0.01 -0.45 -1.81 -1.33 0.00 0.00 177.39 174.13 1ilf s ASP 120 N -2.59 1.48 0.00 -1.43 1.01 -1.25 -0.64 116.67 113.24 1ilf s ASP 120 Ca 0.11 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1ilf s ASP 120 Cb -0.05 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.78 1ilf s ASP 120 CO 0.14 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.17 1ilf n GLY 121 N 2.16 3.47 3.10 0.21 0.00 0.14 -1.77 105.19 112.49 1ilf n GLY 121 Ca -0.17 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 4.23 0.25 0.22 1.61 1.00 -0.69 -0.54 119.30 125.37 1ilf s MET 122 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 55.69 56.14 1ilf s MET 122 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 34.83 34.83 1ilf s MET 122 CO 0.00 -0.10 0.01 0.41 0.00 0.00 0.00 175.02 175.34 1ilf n GLY 123 N 3.63 3.89 3.63 -0.03 0.00 -0.36 -1.38 105.19 114.57 1ilf n GLY 123 Ca -0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.55 1ilf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilf s LEU 125 N -0.73 4.18 -0.20 0.00 1.43 -0.85 -0.54 118.68 121.96 1ilf s LEU 125 Ca 0.06 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1ilf s LEU 125 Cb -0.02 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.27 1ilf s LEU 125 CO -0.08 0.39 0.36 -1.61 0.23 0.00 0.00 176.35 175.65 1ilf s GLU 126 N -1.04 0.28 0.29 1.70 8.01 -0.16 -4.16 118.70 123.63 1ilf s GLU 126 Ca 0.15 0.78 -0.28 0.00 0.01 0.00 0.00 54.97 55.63 1ilf s GLU 126 Cb -0.12 -0.07 -0.09 0.00 -4.31 0.00 0.00 34.13 29.54 1ilf s GLU 126 CO 0.04 -0.39 1.01 0.12 0.01 0.00 0.00 175.26 176.05 1ilf s PHE 127 N 2.54 3.69 -0.43 1.61 5.36 -1.26 0.53 117.98 130.02 1ilf s PHE 127 Ca 0.04 1.78 -0.17 0.00 -0.96 0.00 0.00 56.93 57.62 1ilf s PHE 127 Cb -0.13 -3.09 0.03 0.00 -0.34 0.00 0.00 43.02 39.48 1ilf s PHE 127 CO -0.13 -0.09 0.44 0.34 -1.46 0.00 0.00 175.22 174.33 1ilf s ASP 128 N -1.22 6.19 0.00 6.13 2.15 0.20 -4.86 116.67 125.26 1ilf s ASP 128 Ca 0.46 -0.76 0.26 0.00 0.43 0.00 0.00 52.55 52.94 1ilf s ASP 128 Cb -0.26 -2.22 1.34 0.00 -0.30 0.00 0.00 42.92 41.48 1ilf s ASP 128 CO 0.33 -0.60 1.88 -0.62 -0.17 0.00 0.00 175.17 175.98 1ilf n GLU 129 N 5.58 0.43 -0.01 4.34 1.02 -1.26 -2.33 120.64 128.41 1ilf n GLU 129 Ca -0.08 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1ilf n GLU 129 Cb 0.47 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1ilf n GLU 129 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ilf h GLU 130 N 0.00 -0.08 -0.11 3.49 5.08 -1.97 -3.12 114.58 117.88 1ilf h GLU 130 Ca 0.00 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1ilf h GLU 130 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ilf h GLU 130 CO 0.00 -0.01 -0.65 -0.09 -1.00 0.00 0.00 179.01 177.26 1ilf h ARG 131 N -1.02 0.44 -0.96 2.33 9.65 -1.98 -3.16 114.38 119.69 1ilf h ARG 131 Ca -0.01 -0.32 0.06 0.00 -1.10 0.00 0.00 59.98 58.60 1ilf h ARG 131 Cb 0.11 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 1ilf h ARG 131 CO 0.01 0.94 0.63 0.00 2.80 0.00 0.00 179.97 184.35 1ilf h ALA 132 N 0.97 1.43 -0.51 2.80 0.00 -1.63 -2.31 119.26 120.01 1ilf h ALA 132 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ilf h ALA 132 Cb 1.21 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1ilf h ALA 132 CO 0.11 0.44 0.32 1.96 0.00 0.00 0.00 179.25 182.08 1ilf h GLN 133 N 1.14 0.62 -0.91 0.00 4.20 -1.50 -2.36 115.11 116.30 1ilf h GLN 133 Ca 0.40 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.10 1ilf h GLN 133 Cb 0.12 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1ilf h GLN 133 CO -0.15 0.41 0.60 1.96 -0.67 0.00 0.00 178.83 180.98 1ilf h GLN 134 N 0.63 1.15 -1.02 1.46 4.20 -1.50 -0.67 115.11 119.37 1ilf h GLN 134 Ca 0.20 -0.07 0.25 0.00 0.06 0.00 0.00 58.65 59.09 1ilf h GLN 134 Cb -0.01 -0.26 -0.09 0.00 0.30 0.00 0.00 27.48 27.42 1ilf h GLN 134 CO -0.08 0.76 0.65 0.93 -0.67 0.00 0.00 178.83 180.43 1ilf h GLU 135 N 1.19 0.42 -0.26 1.46 5.08 -1.17 1.04 114.58 122.33 1ilf h GLU 135 Ca 0.35 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.49 1ilf h GLU 135 Cb -0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1ilf h GLU 135 CO -0.09 0.28 -0.60 -0.44 -1.00 0.00 0.00 179.01 177.15 1ilf h ASP 136 N 0.43 0.97 -0.07 1.42 5.19 -1.12 0.21 116.42 123.45 1ilf h ASP 136 Ca 0.58 -0.55 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1ilf h ASP 136 Cb 1.41 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1ilf h ASP 136 CO -0.29 1.35 -0.00 0.00 -3.12 0.00 0.00 179.24 177.17 1ilf h ALA 137 N 0.66 0.09 -0.44 3.45 0.00 0.11 0.76 119.26 123.90 1ilf h ALA 137 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1ilf h ALA 137 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ilf h ALA 137 CO 0.13 -0.23 -0.22 -0.07 0.00 0.00 0.00 179.25 178.87 1ilf h LEU 138 N -0.17 0.95 -0.79 0.00 3.38 0.62 -2.70 115.31 116.60 1ilf h LEU 138 Ca 0.02 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1ilf h LEU 138 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ilf h LEU 138 CO 0.00 1.14 -0.29 0.00 0.09 0.00 0.00 178.44 179.39 1ilf h ALA 139 N 0.84 0.94 -3.24 1.53 0.00 -0.57 -3.40 119.26 115.37 1ilf h ALA 139 Ca 0.10 -0.26 -0.57 0.00 0.00 0.00 0.00 54.91 54.17 1ilf h ALA 139 Cb 0.79 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.13 1ilf h ALA 139 CO 0.07 0.36 -0.76 -0.65 0.00 0.00 0.00 179.25 178.26 1ilf s GLN 140 N -3.47 0.81 0.00 0.00 -1.52 0.27 -5.03 119.66 110.72 1ilf s GLN 140 Ca 0.02 -0.94 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 1ilf s GLN 140 Cb 0.09 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.79 1ilf s GLN 140 CO 0.67 -0.87 0.46 1.04 -0.25 0.00 0.00 175.29 176.33