#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 0.97 -0.13 0.03 0.04 -1.26 -4.99 135.00 129.66 1ilf s PRO 2 Ca 0.00 -0.30 0.18 0.00 0.04 0.00 0.00 61.00 60.91 1ilf s PRO 2 Cb 0.00 -1.88 0.74 0.00 0.04 0.00 0.00 34.50 33.39 1ilf s PRO 2 CO 0.00 -2.20 1.65 2.89 0.04 0.00 0.00 177.00 179.38 1ilf n ARG 3 N -3.64 3.91 -3.74 4.56 -4.01 -1.26 -4.86 116.66 107.61 1ilf n ARG 3 Ca 0.13 -2.94 -0.13 0.00 -1.04 0.00 0.00 57.85 53.88 1ilf n ARG 3 Cb 0.60 -1.95 -0.13 0.00 -3.04 0.00 0.00 32.46 27.94 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 -2.00 -0.03 0.27 8.89 -7.23 -1.26 -3.32 120.40 115.71 1ilf s VAL 4 Ca 0.52 0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1ilf s VAL 4 Cb 0.34 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.85 1ilf s VAL 4 CO 0.23 0.05 0.61 0.68 -0.31 0.00 0.00 175.10 176.36 1ilf s VAL 5 N 1.01 4.86 0.43 1.32 -7.23 -0.20 -4.95 120.40 115.65 1ilf s VAL 5 Ca -0.07 0.57 0.34 0.00 -1.81 0.00 0.00 61.98 61.01 1ilf s VAL 5 Cb -0.09 -3.63 0.51 0.00 0.56 0.00 0.00 36.38 33.74 1ilf s VAL 5 CO -0.06 -0.14 1.45 -2.65 -0.31 0.00 0.00 175.10 173.38 1ilf n PRO 6 N -0.32 -0.03 -3.52 4.82 -0.02 -1.26 -2.84 135.00 131.83 1ilf n PRO 6 Ca 0.01 1.13 -0.29 0.00 -2.02 0.00 0.00 63.50 62.33 1ilf n PRO 6 Cb 0.53 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 1ilf n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ilf s ASP 7 N -4.20 3.21 0.17 2.55 1.11 -1.26 -4.99 116.67 113.27 1ilf s ASP 7 Ca -0.06 -2.03 -0.13 0.00 0.18 0.00 0.00 52.55 50.51 1ilf s ASP 7 Cb 0.28 -0.49 0.07 0.00 1.07 0.00 0.00 42.92 43.85 1ilf s ASP 7 CO 0.77 -0.34 1.76 1.56 1.18 0.00 0.00 175.17 180.11 1ilf h GLN 8 N 7.31 0.83 0.00 8.23 7.50 -1.78 -0.52 115.11 136.68 1ilf h GLN 8 Ca -0.01 -0.12 -0.03 0.00 0.50 0.00 0.00 58.65 58.99 1ilf h GLN 8 Cb 0.97 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.35 1ilf h GLN 8 CO 0.33 0.67 -0.13 0.00 -1.50 0.00 0.00 178.83 178.21 1ilf h ARG 9 N 0.78 0.00 -0.37 1.46 3.08 -1.93 -1.80 114.38 115.60 1ilf h ARG 9 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1ilf h ARG 9 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ilf h ARG 9 CO -0.03 0.13 0.18 0.77 -1.07 0.00 0.00 179.97 179.95 1ilf h SER 10 N 0.00 0.45 0.00 7.04 0.02 -1.49 0.53 113.55 120.10 1ilf h SER 10 Ca -0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ilf h SER 10 Cb 0.40 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ilf h SER 10 CO 0.02 0.38 -0.05 0.11 -1.14 0.00 0.00 176.83 176.15 1ilf h LYS 11 N 0.51 0.00 -0.23 3.45 1.57 -1.26 0.24 116.57 120.85 1ilf h LYS 11 Ca 0.13 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1ilf h LYS 11 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1ilf h LYS 11 CO -0.02 0.09 0.52 0.35 -0.57 0.00 0.00 179.45 179.82 1ilf h PHE 12 N -1.00 0.00 0.00 -1.35 3.57 -1.35 0.81 116.94 117.62 1ilf h PHE 12 Ca -0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 1ilf h PHE 12 Cb 0.13 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1ilf h PHE 12 CO 0.01 0.00 -2.43 -0.85 -2.23 0.00 0.00 178.31 172.80 1ilf n GLU 13 N -3.17 0.67 -0.10 1.11 0.28 0.19 -4.44 120.64 115.17 1ilf n GLU 13 Ca 0.04 0.10 -0.10 0.00 -0.16 0.00 0.00 57.16 57.04 1ilf n GLU 13 Cb 0.63 -1.53 -0.16 0.00 1.43 0.00 0.00 31.44 31.82 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -3.09 0.08 -4.75 -1.84 5.15 0.85 -4.96 115.26 106.69 1ilf n ASN 14 Ca -0.41 -0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.15 1ilf n ASN 14 Cb 1.05 0.96 -0.02 0.00 -0.53 0.00 0.00 39.78 41.24 1ilf n ASN 14 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ilf s GLU 15 N -2.49 4.22 0.00 1.20 0.41 0.27 -4.94 118.70 117.37 1ilf s GLU 15 Ca -0.11 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 56.85 1ilf s GLU 15 Cb 0.06 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 1ilf s GLU 15 CO 0.82 -0.46 0.30 -0.85 -0.49 0.00 0.00 175.26 174.58 1ilf n GLU 16 N 1.86 0.00 -0.32 1.61 0.00 -1.26 -0.78 120.64 121.75 1ilf n GLU 16 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.41 1ilf n GLU 16 Cb 0.40 -0.79 0.45 0.00 0.00 0.00 0.00 31.44 31.49 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 0.78 -0.39 -1.84 3.04 -1.96 1.23 116.94 117.80 1ilf h PHE 17 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1ilf h PHE 17 Cb 0.00 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 1ilf h PHE 17 CO 0.00 0.11 0.13 0.35 -2.02 0.00 0.00 178.31 176.89 1ilf h PHE 18 N 0.50 0.55 0.00 0.41 3.57 -1.91 0.45 116.94 120.51 1ilf h PHE 18 Ca 0.58 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.05 1ilf h PHE 18 Cb 1.29 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ilf h PHE 18 CO -0.00 0.45 -0.14 0.00 -2.23 0.00 0.00 178.31 176.39 1ilf h ARG 19 N 0.55 0.00 -1.38 1.11 3.08 0.32 0.53 114.38 118.59 1ilf h ARG 19 Ca 0.13 0.00 0.41 0.00 0.07 0.00 0.00 59.98 60.59 1ilf h ARG 19 Cb 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 1ilf h ARG 19 CO -0.01 0.15 0.95 0.87 -1.07 0.00 0.00 179.97 180.86 1ilf h LYS 20 N -1.00 0.08 0.12 0.04 1.57 0.91 0.82 116.57 119.12 1ilf h LYS 20 Ca -0.01 -0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1ilf h LYS 20 Cb 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ilf h LYS 20 CO -0.01 0.06 -1.95 -0.07 -0.57 0.00 0.00 179.45 176.90 1ilf h LEU 21 N 0.09 0.39 -1.15 2.94 3.38 -0.18 -3.34 115.31 117.44 1ilf h LEU 21 Ca 0.72 -0.87 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ilf h LEU 21 Cb 2.57 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 43.19 1ilf h LEU 21 CO -0.16 1.78 0.67 0.77 0.09 0.00 0.00 178.44 181.59 1ilf h SER 22 N 0.07 0.00 -3.39 -0.43 4.64 0.60 -1.84 113.55 113.20 1ilf h SER 22 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ilf h SER 22 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1ilf h SER 22 CO 0.09 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 1ilf n ARG 23 N -2.84 1.34 -3.76 4.77 5.12 -0.68 -3.64 116.66 116.97 1ilf n ARG 23 Ca 0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.58 1ilf n ARG 23 Cb 0.73 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.94 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -1.02 4.02 -0.03 5.56 8.01 -1.26 -2.07 118.70 131.90 1ilf s GLU 24 Ca 0.00 -0.30 -0.16 0.00 0.01 0.00 0.00 54.97 54.52 1ilf s GLU 24 Cb 0.00 -3.43 0.03 0.00 -4.31 0.00 0.00 34.13 26.42 1ilf s GLU 24 CO 0.00 0.11 0.34 0.00 0.01 0.00 0.00 175.26 175.72 1ilf n GLU 26 N 1.45 0.41 -4.25 0.00 1.02 -1.26 -0.33 120.64 117.67 1ilf n GLU 26 Ca -0.20 0.15 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 1ilf n GLU 26 Cb 0.56 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1ilf n GLU 26 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1ilf s ILE 27 N -1.47 0.60 0.20 -3.67 -4.36 0.60 -1.46 121.20 111.65 1ilf s ILE 27 Ca 0.62 -1.98 -0.19 0.00 -0.26 0.00 0.00 60.65 58.84 1ilf s ILE 27 Cb -0.64 -2.24 0.04 0.00 1.25 0.00 0.00 42.46 40.86 1ilf s ILE 27 CO 0.59 -0.36 0.57 -1.59 0.24 0.00 0.00 174.94 174.40 1ilf s LYS 28 N -3.96 1.43 -0.19 0.37 -2.85 -0.80 -1.14 119.74 112.62 1ilf s LYS 28 Ca 0.27 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 54.16 1ilf s LYS 28 Cb 0.07 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1ilf s LYS 28 CO 0.06 -0.62 0.95 -0.47 0.10 0.00 0.00 175.35 175.37 1ilf s TYR 29 N -3.86 3.40 -0.08 1.78 5.04 -0.43 -0.22 117.35 122.98 1ilf s TYR 29 Ca 0.08 1.40 0.12 0.00 -2.44 0.00 0.00 57.07 56.23 1ilf s TYR 29 Cb -0.02 -3.16 0.24 0.00 0.35 0.00 0.00 41.96 39.38 1ilf s TYR 29 CO -0.03 -0.35 1.15 0.25 -1.34 0.00 0.00 175.55 175.23 1ilf n THR 30 N 4.98 0.13 0.00 4.34 -2.24 -1.26 -4.89 114.28 115.34 1ilf n THR 30 Ca 0.08 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1ilf n THR 30 Cb 0.48 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.17 -0.48 1.17 3.38 0.00 -1.26 -4.83 105.19 102.99 1ilf n GLY 31 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.44 0.48 0.64 1.61 -1.74 -1.26 -4.73 117.46 110.01 1ilf n PHE 32 Ca 0.00 -1.40 0.12 0.00 -0.56 0.00 0.00 57.45 55.61 1ilf n PHE 32 Cb 0.00 -0.24 0.18 0.00 1.52 0.00 0.00 39.48 40.94 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 -0.63 0.25 0.25 3.97 0.00 -1.26 -4.06 116.66 115.18 1ilf n ARG 33 Ca 0.19 0.07 0.10 0.00 -0.00 0.00 0.00 57.85 58.20 1ilf n ARG 33 Cb 0.85 -1.65 0.54 0.00 -0.00 0.00 0.00 32.46 32.20 1ilf n ARG 33 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1ilf h ASP 34 N 0.00 0.00 0.00 2.89 1.82 -1.94 -3.19 116.42 116.00 1ilf h ASP 34 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ilf h ASP 34 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1ilf h ASP 34 CO 0.00 0.00 0.00 -2.11 -1.61 0.00 0.00 179.24 175.52 1ilf n ARG 35 N -2.46 0.00 -2.45 0.28 0.00 -1.26 -4.89 116.66 105.88 1ilf n ARG 35 Ca -0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.44 1ilf n ARG 35 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.85 1ilf n ARG 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ilf n PRO 36 N 0.00 2.82 -0.27 2.89 -0.04 -1.26 -4.79 135.00 134.34 1ilf n PRO 36 Ca 0.00 -3.08 0.08 0.00 -0.04 0.00 0.00 63.50 60.45 1ilf n PRO 36 Cb 0.00 -3.55 0.20 0.00 -0.04 0.00 0.00 33.50 30.10 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 8.06 0.07 -0.38 0.54 2.76 -1.87 0.78 115.15 125.12 1ilf h HIS 37 Ca 0.40 0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.73 1ilf h HIS 37 Cb 0.88 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1ilf h HIS 37 CO 1.38 -0.23 0.43 1.05 -1.30 0.00 0.00 177.93 179.25 1ilf h GLU 38 N 0.14 0.00 0.16 5.26 4.11 -1.91 0.52 114.58 122.86 1ilf h GLU 38 Ca 0.46 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.55 1ilf h GLU 38 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1ilf h GLU 38 CO -0.67 0.00 -1.69 1.49 0.07 0.00 0.00 179.01 178.22 1ilf h GLU 39 N 0.00 0.33 -0.17 1.06 4.22 0.14 -3.26 114.58 116.90 1ilf h GLU 39 Ca 0.18 -0.57 0.05 0.00 0.08 0.00 0.00 59.36 59.10 1ilf h GLU 39 Cb 1.03 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1ilf h GLU 39 CO -0.00 1.22 0.27 0.00 -2.18 0.00 0.00 179.01 178.32 1ilf h ARG 40 N 0.09 0.00 -0.45 1.92 -0.00 0.13 0.18 114.38 116.24 1ilf h ARG 40 Ca -0.31 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.18 1ilf h ARG 40 Cb 2.07 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 32.01 1ilf h ARG 40 CO 0.17 0.00 0.29 -0.56 0.00 0.00 0.00 179.97 179.87 1ilf h GLN 41 N 0.00 0.58 0.04 0.04 3.07 -1.25 0.40 115.11 117.98 1ilf h GLN 41 Ca 0.08 -0.03 -0.25 0.00 0.09 0.00 0.00 58.65 58.54 1ilf h GLN 41 Cb 0.62 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1ilf h GLN 41 CO -0.00 0.38 -1.22 1.15 0.09 0.00 0.00 178.83 179.23 1ilf h THR 42 N 0.60 1.47 -0.35 1.86 2.02 -1.09 -2.55 112.91 114.87 1ilf h THR 42 Ca 0.17 -3.17 -0.00 0.00 0.77 0.00 0.00 66.41 64.18 1ilf h THR 42 Cb -0.05 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1ilf h THR 42 CO -0.05 0.87 0.20 0.03 0.37 0.00 0.00 175.52 176.94 1ilf h ARG 43 N 0.02 0.47 0.08 6.66 3.08 -0.26 1.02 114.38 125.45 1ilf h ARG 43 Ca -0.11 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ilf h ARG 43 Cb 1.88 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.83 1ilf h ARG 43 CO 0.14 0.35 -0.04 0.35 -1.07 0.00 0.00 179.97 179.70 1ilf h PHE 44 N 0.48 -0.10 -0.02 3.04 3.57 -0.23 -0.07 116.94 123.61 1ilf h PHE 44 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ilf h PHE 44 Cb 0.00 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ilf h PHE 44 CO 0.00 0.37 0.02 -0.56 -2.23 0.00 0.00 178.31 175.92 1ilf h GLN 45 N -0.94 0.00 0.00 1.11 -0.00 -1.19 0.19 115.11 114.28 1ilf h GLN 45 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.44 1ilf h GLN 45 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.97 1ilf h GLN 45 CO 0.02 0.00 -1.12 -0.97 -0.00 0.00 0.00 178.83 176.76 1ilf h ASN 46 N 0.00 0.00 0.27 0.06 -1.24 0.11 -3.20 115.58 111.57 1ilf h ASN 46 Ca 0.01 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.92 1ilf h ASN 46 Cb 0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1ilf h ASN 46 CO -0.00 0.81 -0.42 0.00 -1.29 0.00 0.00 177.43 176.53 1ilf h ALA 47 N 1.19 1.14 0.00 1.57 0.00 0.13 -0.77 119.26 122.52 1ilf h ALA 47 Ca -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ilf h ALA 47 Cb 1.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ilf h ALA 47 CO 0.09 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1ilf h ARG 49 N 0.00 0.00 -0.67 0.00 2.43 -1.19 -2.85 114.38 112.10 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 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ilf h ARG 49 CO 0.00 0.40 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 1ilf n ASP 50 N -3.41 3.93 -2.38 -3.80 9.92 0.01 -4.46 116.55 116.36 1ilf n ASP 50 Ca 0.01 -2.07 -0.20 0.00 -0.53 0.00 0.00 54.79 51.99 1ilf n ASP 50 Cb 0.57 -0.47 -0.00 0.00 -0.64 0.00 0.00 41.12 40.58 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 1.40 -0.45 3.23 0.44 0.00 -0.84 -4.92 105.19 104.05 1ilf n GLY 51 Ca 0.23 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.11 0.35 0.13 1.61 0.52 -0.64 0.64 118.95 116.45 1ilf s ARG 52 Ca 0.05 0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 56.00 1ilf s ARG 52 Cb -0.02 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.45 1ilf s ARG 52 CO 0.06 -0.18 0.18 0.45 0.02 0.00 0.00 175.30 175.83 1ilf s SER 53 N 1.64 0.16 -0.33 0.23 0.15 -0.76 -4.03 113.70 110.76 1ilf s SER 53 Ca -0.08 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.68 1ilf s SER 53 Cb -0.09 0.36 0.10 0.00 -1.71 0.00 0.00 66.02 64.68 1ilf s SER 53 CO -0.12 -0.79 0.08 -0.70 1.20 0.00 0.00 173.24 172.91 1ilf s GLU 54 N -3.95 1.06 0.22 5.44 2.12 -1.26 -1.79 118.70 120.53 1ilf s GLU 54 Ca 0.15 -1.45 0.09 0.00 0.36 0.00 0.00 54.97 54.12 1ilf s GLU 54 Cb 0.05 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1ilf s GLU 54 CO -0.03 -0.97 -0.03 0.42 -0.54 0.00 0.00 175.26 174.10 1ilf s ILE 55 N 1.27 3.42 0.14 -3.70 1.01 -0.44 -4.22 121.20 118.68 1ilf s ILE 55 Ca 0.11 -1.73 0.03 0.00 0.00 0.00 0.00 60.65 59.06 1ilf s ILE 55 Cb -0.18 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1ilf s ILE 55 CO -0.17 -0.23 0.21 0.00 0.00 0.00 0.00 174.94 174.75 1ilf s ALA 56 N -1.99 3.81 -0.20 9.38 0.00 0.70 -1.06 121.76 132.39 1ilf s ALA 56 Ca 0.28 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1ilf s ALA 56 Cb -0.08 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1ilf s ALA 56 CO 0.18 0.57 -0.03 0.12 0.00 0.00 0.00 175.76 176.59 1ilf s PHE 57 N -1.70 2.98 -0.01 0.00 2.19 0.44 -1.90 117.98 119.98 1ilf s PHE 57 Ca 0.33 -0.68 0.15 0.00 0.33 0.00 0.00 56.93 57.06 1ilf s PHE 57 Cb -0.11 -2.06 0.26 0.00 -1.31 0.00 0.00 43.02 39.79 1ilf s PHE 57 CO 0.26 -0.37 1.53 0.28 1.83 0.00 0.00 175.22 178.76 1ilf h VAL 58 N 5.52 0.97 -0.59 3.12 2.07 -1.56 0.24 116.25 126.02 1ilf h VAL 58 Ca -0.37 -2.10 0.11 0.00 0.82 0.00 0.00 66.70 65.16 1ilf h VAL 58 Cb 1.17 2.29 -0.12 0.00 -1.52 0.00 0.00 31.29 33.12 1ilf h VAL 58 CO 0.60 0.50 -0.24 0.00 0.02 0.00 0.00 177.57 178.45 1ilf h ALA 59 N 1.49 0.18 0.00 1.67 0.00 -1.86 -3.25 119.26 117.49 1ilf h ALA 59 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ilf h ALA 59 Cb 1.25 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ilf h ALA 59 CO 0.07 -0.55 -0.24 0.25 0.00 0.00 0.00 179.25 178.77 1ilf n THR 60 N -5.44 0.35 -3.46 0.00 -2.24 -1.25 -5.02 114.28 97.22 1ilf n THR 60 Ca 0.06 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1ilf n THR 60 Cb 0.34 0.54 0.08 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.24 -0.36 3.53 3.38 0.00 0.77 -5.00 105.19 107.28 1ilf n GLY 61 Ca 0.02 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 3.90 0.31 2.61 -1.32 -0.82 -4.87 115.64 112.07 1ilf s THR 62 Ca 0.02 -0.37 -0.27 0.00 -1.21 0.00 0.00 61.69 59.86 1ilf s THR 62 Cb -0.01 -2.68 -0.10 0.00 -1.51 0.00 0.00 72.50 68.20 1ilf s THR 62 CO 0.74 0.52 0.95 0.21 -2.21 0.00 0.00 174.62 174.83 1ilf s ASN 63 N 0.02 7.36 -0.06 8.08 2.47 -1.26 -0.42 114.94 131.13 1ilf s ASN 63 Ca 0.00 1.86 -0.03 0.00 0.42 0.00 0.00 52.86 55.12 1ilf s ASN 63 Cb -0.13 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 37.12 1ilf s ASN 63 CO 0.03 -0.05 0.12 -0.76 -3.72 0.00 0.00 177.10 172.71 1ilf s LEU 64 N -1.94 0.15 -0.40 3.21 1.43 -0.22 -4.94 118.68 115.96 1ilf s LEU 64 Ca 0.49 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 1ilf s LEU 64 Cb -0.20 0.13 0.09 0.00 0.03 0.00 0.00 46.19 46.24 1ilf s LEU 64 CO 0.25 -0.23 0.21 -0.44 0.23 0.00 0.00 176.35 176.38 1ilf s SER 65 N 2.06 5.43 0.14 2.29 0.01 -1.26 -1.33 113.70 121.03 1ilf s SER 65 Ca 0.02 -1.66 0.09 0.00 1.31 0.00 0.00 55.95 55.71 1ilf s SER 65 Cb -0.12 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1ilf s SER 65 CO -0.05 -0.51 -0.16 -0.76 0.41 0.00 0.00 173.24 172.17 1ilf s LEU 66 N 1.31 2.77 -0.35 2.44 1.02 -0.74 -5.01 118.68 120.13 1ilf s LEU 66 Ca 0.04 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 1ilf s LEU 66 Cb -0.23 -1.56 0.08 0.00 0.02 0.00 0.00 46.19 44.50 1ilf s LEU 66 CO -0.00 0.16 0.08 0.00 0.02 0.00 0.00 176.35 176.61 1ilf s GLN 67 N -2.35 2.12 -0.19 1.70 0.00 -1.26 -1.82 119.66 117.85 1ilf s GLN 67 Ca 0.20 -1.58 -0.06 0.00 -0.00 0.00 0.00 55.36 53.93 1ilf s GLN 67 Cb -0.10 -3.34 -0.03 0.00 0.00 0.00 0.00 33.01 29.55 1ilf s GLN 67 CO 0.12 -0.84 0.01 -0.59 0.00 0.00 0.00 175.29 173.99 1ilf s PHE 68 N 1.15 3.09 -0.26 9.60 -0.12 0.21 -4.44 117.98 127.20 1ilf s PHE 68 Ca 0.02 -0.30 -0.17 0.00 -0.05 0.00 0.00 56.93 56.44 1ilf s PHE 68 Cb -0.21 -2.08 0.07 0.00 -0.63 0.00 0.00 43.02 40.18 1ilf s PHE 68 CO -0.03 -0.12 0.66 -0.06 -0.05 0.00 0.00 175.22 175.61 1ilf s PHE 69 N 0.80 -0.95 -0.71 3.49 0.08 -1.26 -4.08 117.98 115.34 1ilf s PHE 69 Ca 0.01 1.98 -0.31 0.00 0.12 0.00 0.00 56.93 58.73 1ilf s PHE 69 Cb -0.14 0.52 -0.16 0.00 -0.57 0.00 0.00 43.02 42.67 1ilf s PHE 69 CO 0.02 -0.47 2.50 -2.30 -0.10 0.00 0.00 175.22 174.86 1ilf n PRO 70 N 3.98 0.46 0.27 0.24 -0.02 -1.26 -4.70 135.00 133.98 1ilf n PRO 70 Ca -0.19 0.04 0.04 0.00 -2.02 0.00 0.00 63.50 61.37 1ilf n PRO 70 Cb 0.58 -2.19 0.10 0.00 -0.02 0.00 0.00 33.50 31.97 1ilf n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ilf h ALA 71 N 13.95 2.06 -0.40 3.55 0.00 -1.98 -2.64 119.26 133.79 1ilf h ALA 71 Ca -0.14 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.18 1ilf h ALA 71 Cb 1.31 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1ilf h ALA 71 CO 1.24 -1.03 1.73 0.45 0.00 0.00 0.00 179.25 181.65 1ilf n SER 72 N -2.61 7.36 -4.49 0.00 2.88 -1.26 -4.91 113.62 110.59 1ilf n SER 72 Ca 0.02 -2.96 -0.34 0.00 -1.33 0.00 0.00 58.87 54.26 1ilf n SER 72 Cb 1.01 -1.37 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 1ilf n SER 72 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ilf s TRP 73 N -0.37 3.05 -0.04 0.66 1.48 -1.00 -4.97 118.94 117.75 1ilf s TRP 73 Ca 0.60 -0.33 0.17 0.00 -1.06 0.00 0.00 56.10 55.49 1ilf s TRP 73 Cb 0.26 -2.02 -0.27 0.00 -1.16 0.00 0.00 33.47 30.28 1ilf s TRP 73 CO -0.11 -0.10 0.34 1.04 -4.06 0.00 0.00 176.95 174.06 1ilf n GLN 74 N 3.83 0.64 0.00 3.25 3.00 -1.26 -4.94 117.38 121.90 1ilf n GLN 74 Ca -0.17 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1ilf n GLN 74 Cb 0.52 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1ilf n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ilf n GLY 75 N 1.56 0.00 2.66 1.08 0.00 -1.26 -5.06 105.19 104.17 1ilf n GLY 75 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 2.91 0.07 1.61 4.71 -1.26 -4.68 120.64 124.00 1ilf n GLU 76 Ca 0.00 -3.68 0.03 0.00 -0.01 0.00 0.00 57.16 53.50 1ilf n GLU 76 Cb 0.00 -2.27 0.41 0.00 -1.01 0.00 0.00 31.44 28.57 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1ilf h GLN 77 N 2.65 0.36 -0.68 3.49 -0.00 -2.00 -2.57 115.11 116.36 1ilf h GLN 77 Ca 0.52 -0.05 0.12 0.00 -0.00 0.00 0.00 58.65 59.24 1ilf h GLN 77 Cb 0.45 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.48 27.77 1ilf h GLN 77 CO 1.33 0.36 0.24 0.00 -0.00 0.00 0.00 178.83 180.76 1ilf h ARG 78 N 0.36 0.38 -7.17 0.06 2.47 -2.05 -3.42 114.38 105.00 1ilf h ARG 78 Ca 0.09 -0.02 -0.50 0.00 -1.26 0.00 0.00 59.98 58.29 1ilf h ARG 78 Cb 0.18 -0.09 0.05 0.00 -1.65 0.00 0.00 29.97 28.46 1ilf h ARG 78 CO -0.00 0.25 0.27 -0.65 0.56 0.00 0.00 179.97 180.40 1ilf s GLN 79 N -6.06 3.46 0.30 0.04 -0.21 -0.97 -5.06 119.66 111.17 1ilf s GLN 79 Ca -0.13 0.43 -0.22 0.00 0.02 0.00 0.00 55.36 55.47 1ilf s GLN 79 Cb 0.19 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.89 1ilf s GLN 79 CO 0.75 -0.46 0.84 0.99 -2.12 0.00 0.00 175.29 175.29 1ilf s THR 80 N -2.99 4.42 0.87 -0.19 2.01 -1.26 -5.00 115.64 113.49 1ilf s THR 80 Ca 0.52 1.47 -0.17 0.00 0.31 0.00 0.00 61.69 63.83 1ilf s THR 80 Cb -0.11 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1ilf s THR 80 CO 0.49 0.06 -0.66 -0.81 -0.69 0.00 0.00 174.62 173.01 1ilf n PRO 81 N 0.33 -0.51 -4.15 4.92 -0.04 -1.26 -5.00 135.00 129.29 1ilf n PRO 81 Ca 0.01 -0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 1ilf n PRO 81 Cb 0.51 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 1ilf n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ilf s SER 82 N -1.24 5.15 0.00 3.54 0.01 -1.26 -5.00 113.70 114.91 1ilf s SER 82 Ca 0.28 -0.28 0.12 0.00 1.31 0.00 0.00 55.95 57.38 1ilf s SER 82 Cb 0.03 -1.22 0.52 0.00 0.21 0.00 0.00 66.02 65.55 1ilf s SER 82 CO 0.42 0.06 1.39 -2.11 0.41 0.00 0.00 173.24 173.41 1ilf n ARG 83 N -0.37 0.00 -0.02 12.44 1.85 -1.06 -0.65 116.66 128.85 1ilf n ARG 83 Ca -0.09 0.29 -0.11 0.00 -1.00 0.00 0.00 57.85 56.94 1ilf n ARG 83 Cb 0.55 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.41 1ilf n ARG 83 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ilf h GLU 84 N 0.00 0.16 0.00 2.89 5.08 -1.94 -3.32 114.58 117.45 1ilf h GLU 84 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1ilf h GLU 84 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ilf h GLU 84 CO 0.00 0.20 -1.70 0.66 -1.00 0.00 0.00 179.01 177.17 1ilf n TYR 85 N -4.95 0.00 -3.46 4.33 4.02 -1.15 -4.16 117.16 111.78 1ilf n TYR 85 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.67 1ilf n TYR 85 Cb 0.08 -0.40 -0.12 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.79 -0.37 0.09 -0.72 -7.23 0.17 0.33 120.40 109.88 1ilf s VAL 86 Ca -0.05 -0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 59.78 1ilf s VAL 86 Cb 0.08 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 36.21 1ilf s VAL 86 CO 0.56 -0.22 0.58 -0.62 -0.31 0.00 0.00 175.10 175.08 1ilf s ASP 87 N 2.36 7.04 0.00 4.85 2.15 0.06 -2.57 116.67 130.55 1ilf s ASP 87 Ca 0.08 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1ilf s ASP 87 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1ilf s ASP 87 CO -0.15 0.24 0.70 0.18 -0.17 0.00 0.00 175.17 175.97 1ilf n LEU 88 N 1.54 0.00 -4.95 -1.34 7.99 -1.26 -4.46 117.00 114.53 1ilf n LEU 88 Ca -0.09 -0.41 -0.20 0.00 -0.01 0.00 0.00 56.01 55.30 1ilf n LEU 88 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1ilf n LEU 88 CO 0.41 0.11 0.12 -0.70 -1.51 0.00 0.00 177.39 175.82 1ilf s GLU 89 N 0.00 2.53 -0.98 3.23 2.12 -1.26 -5.06 118.70 119.29 1ilf s GLU 89 Ca 0.00 -1.54 -0.02 0.00 0.36 0.00 0.00 54.97 53.77 1ilf s GLU 89 Cb 0.00 -2.50 0.30 0.00 0.26 0.00 0.00 34.13 32.18 1ilf s GLU 89 CO 0.00 -0.41 1.32 2.89 -0.54 0.00 0.00 175.26 178.52 1ilf n ARG 90 N -1.81 4.04 -0.48 4.30 0.00 -1.26 -4.76 116.66 116.69 1ilf n ARG 90 Ca 0.07 -4.59 0.07 0.00 -0.00 0.00 0.00 57.85 53.40 1ilf n ARG 90 Cb 0.61 -2.45 0.27 0.00 -0.00 0.00 0.00 32.46 30.90 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 1.18 3.11 0.00 2.89 2.13 -1.26 -4.63 120.64 124.06 1ilf n GLU 91 Ca 0.27 -2.17 0.00 0.00 0.66 0.00 0.00 57.16 55.92 1ilf n GLU 91 Cb 0.35 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 0.79 0.00 0.00 4.31 0.00 -1.26 -5.00 120.51 119.35 1ilf n ALA 92 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ilf n ALA 92 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1ilf n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ilf n GLY 93 N 0.00 0.90 3.61 0.00 0.00 -1.26 -5.13 105.19 103.30 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 2.02 -0.21 1.61 3.01 -1.26 -4.42 119.74 120.49 1ilf s LYS 94 Ca 0.00 -2.25 0.01 0.00 -1.01 0.00 0.00 55.97 52.72 1ilf s LYS 94 Cb 0.00 -1.01 0.03 0.00 -1.01 0.00 0.00 37.83 35.83 1ilf s LYS 94 CO 0.00 -0.40 -0.15 0.54 0.51 0.00 0.00 175.35 175.85 1ilf s VAL 95 N -3.07 2.31 -0.03 3.17 0.11 -0.91 -4.68 120.40 117.30 1ilf s VAL 95 Ca 0.18 -1.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1ilf s VAL 95 Cb 0.03 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 1ilf s VAL 95 CO 0.10 0.38 0.02 -0.72 -3.33 0.00 0.00 175.10 171.55 1ilf s TYR 96 N 1.28 3.15 0.01 1.54 -0.85 -1.26 -1.75 117.35 119.46 1ilf s TYR 96 Ca 0.02 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1ilf s TYR 96 Cb -0.15 -1.73 -0.01 0.00 0.38 0.00 0.00 41.96 40.45 1ilf s TYR 96 CO -0.10 0.48 -0.01 -0.48 -1.52 0.00 0.00 175.55 173.92 1ilf s LEU 97 N -1.33 2.11 -0.14 -3.49 -0.00 -0.68 -0.76 118.68 114.38 1ilf s LEU 97 Ca 0.18 -0.22 0.02 0.00 -0.00 0.00 0.00 54.13 54.11 1ilf s LEU 97 Cb -0.12 0.04 0.01 0.00 -0.00 0.00 0.00 46.19 46.13 1ilf s LEU 97 CO 0.08 -0.13 -0.21 -0.75 -0.00 0.00 0.00 176.35 175.34 1ilf s LYS 98 N -0.64 3.05 -0.02 1.48 2.20 0.15 -2.12 119.74 123.84 1ilf s LYS 98 Ca -0.07 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 54.77 1ilf s LYS 98 Cb -0.04 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 1ilf s LYS 98 CO -0.00 -0.02 -0.22 0.00 -0.36 0.00 0.00 175.35 174.75 1ilf s ALA 99 N 0.84 1.85 -0.33 3.13 0.00 -0.18 -4.44 121.76 122.63 1ilf s ALA 99 Ca -0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1ilf s ALA 99 Cb -0.15 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1ilf s ALA 99 CO -0.02 0.44 0.59 -1.25 0.00 0.00 0.00 175.76 175.52 1ilf s PRO 100 N -0.48 3.76 0.21 0.00 0.04 -1.26 -1.88 135.00 135.40 1ilf s PRO 100 Ca 0.07 0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.25 1ilf s PRO 100 Cb -0.09 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 1ilf s PRO 100 CO -0.00 -0.63 -0.07 -1.64 0.04 0.00 0.00 177.00 174.70 1ilf s MET 101 N 2.56 1.30 -0.43 4.56 -1.94 -0.10 -4.93 119.30 120.32 1ilf s MET 101 Ca 0.23 -1.62 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 1ilf s MET 101 Cb -0.15 -0.82 0.07 0.00 2.01 0.00 0.00 34.83 35.94 1ilf s MET 101 CO 0.13 0.03 0.29 0.42 -0.01 0.00 0.00 175.02 175.88 1ilf s ILE 102 N -3.23 4.51 0.09 2.53 -1.09 -1.26 -0.89 121.20 121.86 1ilf s ILE 102 Ca 0.24 -1.26 0.03 0.00 -2.23 0.00 0.00 60.65 57.44 1ilf s ILE 102 Cb 0.03 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1ilf s ILE 102 CO 0.07 -0.50 0.08 -0.76 -1.23 0.00 0.00 174.94 172.61 1ilf s LEU 103 N 1.49 3.79 0.00 2.97 1.43 -0.48 -4.85 118.68 123.03 1ilf s LEU 103 Ca 0.03 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1ilf s LEU 103 Cb -0.23 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1ilf s LEU 103 CO 0.04 0.16 0.00 0.59 0.23 0.00 0.00 176.35 177.36 1ilf n ASN 104 N 0.34 0.00 -4.26 2.29 3.02 -1.26 0.12 115.26 115.52 1ilf n ASN 104 Ca -0.09 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.14 1ilf n ASN 104 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 1ilf n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ilf n GLY 105 N 0.03 -0.21 3.53 7.41 0.00 -1.26 -4.77 105.19 109.92 1ilf n GLY 105 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.25 0.00 -0.31 1.61 1.01 0.34 -1.03 120.40 117.75 1ilf s VAL 106 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 1ilf s VAL 106 Cb -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 1ilf s VAL 106 CO 0.99 0.00 0.75 0.00 0.00 0.00 0.00 175.10 176.83 1ilf s VAL 108 N 2.89 2.63 -0.24 0.00 -7.23 -0.07 -2.21 120.40 116.16 1ilf s VAL 108 Ca 0.30 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1ilf s VAL 108 Cb -0.14 -2.22 0.07 0.00 0.56 0.00 0.00 36.38 34.65 1ilf s VAL 108 CO 0.13 0.02 0.03 -0.63 -0.31 0.00 0.00 175.10 174.34 1ilf s ILE 109 N -1.32 0.93 -0.24 -0.62 -1.09 0.20 -0.93 121.20 118.13 1ilf s ILE 109 Ca 0.19 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1ilf s ILE 109 Cb -0.10 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.28 1ilf s ILE 109 CO 0.10 -0.33 0.23 0.86 -1.23 0.00 0.00 174.94 174.57 1ilf s TRP 110 N 1.64 3.30 -0.01 3.97 -0.00 -0.79 0.31 118.94 127.38 1ilf s TRP 110 Ca 0.01 0.29 0.02 0.00 -0.00 0.00 0.00 56.10 56.43 1ilf s TRP 110 Cb -0.18 -2.36 -0.00 0.00 -0.00 0.00 0.00 33.47 30.93 1ilf s TRP 110 CO -0.12 -0.01 -0.08 0.21 -0.00 0.00 0.00 176.95 176.95 1ilf s LYS 111 N 1.31 0.66 -0.19 5.86 2.36 0.18 -1.01 119.74 128.91 1ilf s LYS 111 Ca 0.10 -0.28 -0.34 0.00 -2.55 0.00 0.00 55.97 52.90 1ilf s LYS 111 Cb -0.14 -0.64 0.14 0.00 -1.05 0.00 0.00 37.83 36.14 1ilf s LYS 111 CO 0.07 0.16 1.19 0.20 1.55 0.00 0.00 175.35 178.52 1ilf s GLY 112 N -0.14 -0.27 0.13 5.54 0.00 -0.90 -0.74 107.32 110.94 1ilf s GLY 112 Ca 0.02 1.71 0.08 0.00 0.00 0.00 0.00 44.72 46.53 1ilf s GLY 112 CO -0.00 0.60 -0.11 0.66 0.00 0.00 0.00 173.10 174.25 1ilf s TRP 113 N -2.25 2.68 0.05 1.90 1.48 -0.36 -1.68 118.94 120.75 1ilf s TRP 113 Ca 0.08 -0.19 0.09 0.00 -1.06 0.00 0.00 56.10 55.02 1ilf s TRP 113 Cb -0.01 -1.38 -0.03 0.00 -1.16 0.00 0.00 33.47 30.89 1ilf s TRP 113 CO -0.05 0.44 -0.25 0.42 -4.06 0.00 0.00 176.95 173.46 1ilf s ILE 114 N -1.33 2.01 0.06 0.66 -1.09 -0.72 -1.46 121.20 119.33 1ilf s ILE 114 Ca 0.22 -1.36 -0.24 0.00 -2.23 0.00 0.00 60.65 57.04 1ilf s ILE 114 Cb -0.10 -1.73 -0.06 0.00 -1.58 0.00 0.00 42.46 38.99 1ilf s ILE 114 CO 0.14 0.30 0.73 1.51 -1.23 0.00 0.00 174.94 176.38 1ilf s ASP 115 N -1.27 7.19 0.00 3.58 1.47 -0.71 -2.14 116.67 124.80 1ilf s ASP 115 Ca 0.11 1.42 0.00 0.00 1.18 0.00 0.00 52.55 55.26 1ilf s ASP 115 Cb -0.10 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.03 1ilf s ASP 115 CO 0.02 0.08 0.74 0.18 0.68 0.00 0.00 175.17 176.88 1ilf n LEU 116 N 2.51 0.17 -0.00 2.11 4.77 -1.26 -0.91 117.00 124.38 1ilf n LEU 116 Ca -0.04 -0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 1ilf n LEU 116 Cb 0.50 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1ilf n LEU 116 CO 0.46 0.04 -0.13 1.41 -1.33 0.00 0.00 177.39 177.84 1ilf n HIS 117 N -0.38 0.00 0.92 -1.77 8.25 -1.26 -4.76 115.22 116.22 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 0.04 -0.09 0.26 0.00 1.12 0.00 0.00 29.99 31.32 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 -3.15 0.06 -2.51 -0.41 1.74 -1.26 -4.94 116.66 106.19 1ilf n ARG 118 Ca -0.03 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 1ilf n ARG 118 Cb 0.10 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1ilf n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ilf n LEU 119 N -1.62 -1.95 -3.97 0.55 4.77 -0.09 -4.85 117.00 109.84 1ilf n LEU 119 Ca 0.05 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1ilf n LEU 119 Cb 0.36 -1.95 -0.13 0.00 -2.33 0.00 0.00 43.42 39.36 1ilf n LEU 119 CO 0.35 0.03 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.23 1ilf s ASP 120 N -2.67 0.56 0.00 -1.43 1.11 -1.24 -1.32 116.67 111.68 1ilf s ASP 120 Ca 0.11 -0.23 0.00 0.00 0.18 0.00 0.00 52.55 52.61 1ilf s ASP 120 Cb -0.05 -0.02 0.00 0.00 1.07 0.00 0.00 42.92 43.93 1ilf s ASP 120 CO 0.13 -0.04 0.00 0.61 1.18 0.00 0.00 175.17 177.05 1ilf n GLY 121 N 2.47 4.10 3.03 0.21 0.00 -0.29 -1.74 105.19 112.97 1ilf n GLY 121 Ca -0.16 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 4.83 0.91 0.38 1.61 -1.94 -0.53 -0.29 119.30 124.26 1ilf s MET 122 Ca 0.00 -0.35 0.07 0.00 -1.71 0.00 0.00 55.69 53.70 1ilf s MET 122 Cb 0.00 -0.86 -0.07 0.00 2.01 0.00 0.00 34.83 35.90 1ilf s MET 122 CO 0.00 0.18 0.01 0.20 -0.01 0.00 0.00 175.02 175.40 1ilf s GLY 123 N -0.06 2.37 -0.25 -0.03 0.00 0.55 -1.22 107.32 108.67 1ilf s GLY 123 Ca 0.01 -2.22 -0.26 0.00 0.00 0.00 0.00 44.72 42.25 1ilf s GLY 123 CO -0.00 -2.02 0.93 0.00 0.00 0.00 0.00 173.10 172.01 1ilf s LEU 125 N 0.00 4.12 0.07 0.00 1.43 -0.69 -0.65 118.68 122.97 1ilf s LEU 125 Ca 0.01 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1ilf s LEU 125 Cb -0.04 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1ilf s LEU 125 CO -0.02 -0.27 0.30 -1.61 0.23 0.00 0.00 176.35 174.98 1ilf s GLU 126 N -4.11 0.88 -0.03 1.70 0.41 0.15 -4.25 118.70 113.45 1ilf s GLU 126 Ca 0.40 -0.65 0.06 0.00 -0.41 0.00 0.00 54.97 54.37 1ilf s GLU 126 Cb -0.09 0.38 -0.02 0.00 -1.78 0.00 0.00 34.13 32.61 1ilf s GLU 126 CO 0.31 -0.30 -0.21 0.12 -0.49 0.00 0.00 175.26 174.69 1ilf s PHE 127 N -3.15 2.49 -0.54 1.61 2.19 -1.26 0.59 117.98 119.90 1ilf s PHE 127 Ca -0.01 -0.32 -0.22 0.00 0.33 0.00 0.00 56.93 56.71 1ilf s PHE 127 Cb 0.01 -1.55 0.05 0.00 -1.31 0.00 0.00 43.02 40.22 1ilf s PHE 127 CO -0.07 0.07 0.83 0.34 1.83 0.00 0.00 175.22 178.21 1ilf s ASP 128 N -0.70 6.28 0.40 6.13 -1.08 -0.94 -4.88 116.67 121.89 1ilf s ASP 128 Ca 0.11 -0.62 0.24 0.00 -0.52 0.00 0.00 52.55 51.76 1ilf s ASP 128 Cb -0.10 -2.38 0.50 0.00 -1.46 0.00 0.00 42.92 39.48 1ilf s ASP 128 CO -0.00 -1.13 1.67 -0.33 0.52 0.00 0.00 175.17 175.90 1ilf h GLU 129 N 9.22 0.00 0.15 4.34 5.08 -1.98 -0.21 114.58 131.18 1ilf h GLU 129 Ca -0.27 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.81 1ilf h GLU 129 Cb 1.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ilf h GLU 129 CO 1.05 0.00 -1.38 0.93 -1.00 0.00 0.00 179.01 178.61 1ilf h GLU 130 N 0.00 0.31 0.08 2.33 5.08 -2.01 -3.34 114.58 117.04 1ilf h GLU 130 Ca 0.00 -0.54 -0.27 0.00 -1.00 0.00 0.00 59.36 57.56 1ilf h GLU 130 Cb 0.91 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ilf h GLU 130 CO 0.00 1.26 -1.28 -0.09 -1.00 0.00 0.00 179.01 177.89 1ilf h ARG 131 N -0.19 0.18 -0.85 2.33 2.43 -1.98 -3.31 114.38 112.99 1ilf h ARG 131 Ca -0.28 -0.31 0.20 0.00 -0.81 0.00 0.00 59.98 58.78 1ilf h ARG 131 Cb 1.85 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 31.46 1ilf h ARG 131 CO 0.12 1.09 0.57 0.00 -1.51 0.00 0.00 179.97 180.24 1ilf h ALA 132 N 0.69 2.28 0.01 2.80 0.00 -1.18 0.04 119.26 123.91 1ilf h ALA 132 Ca -0.14 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1ilf h ALA 132 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1ilf h ALA 132 CO 0.17 -0.54 -0.96 -0.56 0.00 0.00 0.00 179.25 177.36 1ilf h GLN 133 N 0.34 0.37 0.00 0.00 3.07 -1.68 -3.23 115.11 113.98 1ilf h GLN 133 Ca 0.43 -0.42 -0.12 0.00 0.09 0.00 0.00 58.65 58.63 1ilf h GLN 133 Cb 1.16 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.83 1ilf h GLN 133 CO -0.14 1.10 -0.59 -0.56 0.09 0.00 0.00 178.83 178.74 1ilf h GLN 134 N 0.20 0.00 -0.68 0.06 3.07 -1.16 -2.43 115.11 114.17 1ilf h GLN 134 Ca -0.08 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.70 1ilf h GLN 134 Cb 1.61 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.13 1ilf h GLN 134 CO 0.16 0.59 0.45 0.93 0.09 0.00 0.00 178.83 181.05 1ilf h GLU 135 N 0.00 0.78 -0.09 0.06 5.08 -1.21 0.71 114.58 119.91 1ilf h GLU 135 Ca -0.01 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1ilf h GLU 135 Cb 1.08 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ilf h GLU 135 CO 0.08 0.52 -0.79 -0.44 -1.00 0.00 0.00 179.01 177.38 1ilf h ASP 136 N 0.81 0.67 -0.13 1.42 5.19 -1.56 0.14 116.42 122.95 1ilf h ASP 136 Ca 0.27 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 56.19 1ilf h ASP 136 Cb 0.09 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 1ilf h ASP 136 CO -0.08 1.23 -0.04 0.00 -3.12 0.00 0.00 179.24 177.23 1ilf h ALA 137 N 0.75 0.19 -0.22 3.45 0.00 -0.57 0.35 119.26 123.21 1ilf h ALA 137 Ca -0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1ilf h ALA 137 Cb 1.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ilf h ALA 137 CO 0.15 -0.05 -0.59 -0.07 0.00 0.00 0.00 179.25 178.69 1ilf h LEU 138 N -0.05 0.89 -1.07 0.00 3.38 0.29 -2.98 115.31 115.76 1ilf h LEU 138 Ca 0.03 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 1ilf h LEU 138 Cb 0.48 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ilf h LEU 138 CO 0.02 1.31 -0.23 0.00 0.09 0.00 0.00 178.44 179.63 1ilf h ALA 139 N 0.61 1.01 -3.28 1.53 0.00 -0.74 -3.39 119.26 115.00 1ilf h ALA 139 Ca -0.01 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 54.11 1ilf h ALA 139 Cb 1.21 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.56 1ilf h ALA 139 CO 0.13 0.28 -0.76 -0.65 0.00 0.00 0.00 179.25 178.25 1ilf s GLN 140 N -3.63 0.88 0.00 0.00 -0.21 0.12 -5.03 119.66 111.80 1ilf s GLN 140 Ca 0.01 -1.00 0.24 0.00 0.02 0.00 0.00 55.36 54.63 1ilf s GLN 140 Cb 0.10 -2.18 0.29 0.00 1.00 0.00 0.00 33.01 32.22 1ilf s GLN 140 CO 0.64 -0.86 1.32 1.04 -2.12 0.00 0.00 175.29 175.30