#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilf s PRO 2 N 0.00 3.59 0.01 0.03 0.04 -1.26 -4.87 135.00 132.54 1ilf s PRO 2 Ca 0.00 1.50 0.09 0.00 0.04 0.00 0.00 61.00 62.64 1ilf s PRO 2 Cb 0.00 -4.10 -0.23 0.00 0.04 0.00 0.00 34.50 30.21 1ilf s PRO 2 CO 0.00 -1.55 0.87 0.00 0.04 0.00 0.00 177.00 176.36 1ilf h ARG 3 N 11.62 0.02 -6.08 4.56 3.08 -1.96 -3.45 114.38 122.17 1ilf h ARG 3 Ca -0.33 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.12 1ilf h ARG 3 Cb 1.16 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 1ilf h ARG 3 CO 1.02 0.71 0.18 0.14 -1.07 0.00 0.00 179.97 180.95 1ilf s VAL 4 N -2.63 4.99 0.38 2.04 -7.23 -1.26 -4.01 120.40 112.68 1ilf s VAL 4 Ca -0.04 1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 61.54 1ilf s VAL 4 Cb 0.09 -4.10 -0.09 0.00 0.56 0.00 0.00 36.38 32.84 1ilf s VAL 4 CO 0.82 0.20 0.81 0.68 -0.31 0.00 0.00 175.10 177.31 1ilf s VAL 5 N 1.04 4.61 0.18 1.32 -7.23 -1.15 -4.93 120.40 114.24 1ilf s VAL 5 Ca 0.40 1.05 0.05 0.00 -1.81 0.00 0.00 61.98 61.67 1ilf s VAL 5 Cb -0.18 -3.63 0.21 0.00 0.56 0.00 0.00 36.38 33.34 1ilf s VAL 5 CO 0.19 -0.31 0.84 -2.65 -0.31 0.00 0.00 175.10 172.86 1ilf n PRO 6 N -0.67 -0.04 -3.60 4.82 -0.02 -1.26 -2.39 135.00 131.83 1ilf n PRO 6 Ca 0.04 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 1ilf n PRO 6 Cb 0.54 -1.30 -0.13 0.00 -0.02 0.00 0.00 33.50 32.59 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 -4.90 3.36 0.17 2.55 1.11 -1.26 -4.97 116.67 112.73 1ilf s ASP 7 Ca -0.06 -2.41 -0.13 0.00 0.18 0.00 0.00 52.55 50.13 1ilf s ASP 7 Cb 0.17 -0.75 0.07 0.00 1.07 0.00 0.00 42.92 43.48 1ilf s ASP 7 CO 0.42 -0.29 1.81 1.56 1.18 0.00 0.00 175.17 179.85 1ilf h GLN 8 N 6.89 0.76 0.00 8.23 7.50 -1.76 -0.12 115.11 136.60 1ilf h GLN 8 Ca 0.02 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.07 1ilf h GLN 8 Cb 0.95 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.32 1ilf h GLN 8 CO 0.39 0.54 -0.12 0.07 -1.50 0.00 0.00 178.83 178.21 1ilf h ARG 9 N 0.75 0.00 -0.68 1.46 0.11 -1.93 -1.49 114.38 112.60 1ilf h ARG 9 Ca 0.20 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.25 1ilf h ARG 9 Cb -0.02 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 1ilf h ARG 9 CO -0.04 0.12 0.29 0.77 0.10 0.00 0.00 179.97 181.21 1ilf h SER 10 N 0.00 0.90 0.19 0.08 0.02 -1.42 0.58 113.55 113.91 1ilf h SER 10 Ca -0.00 -0.12 -0.34 0.00 -0.84 0.00 0.00 61.79 60.49 1ilf h SER 10 Cb 0.39 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.71 1ilf h SER 10 CO 0.02 0.80 -1.66 0.11 -1.14 0.00 0.00 176.83 174.95 1ilf h LYS 11 N 0.98 0.41 0.00 3.45 1.79 -1.27 0.83 116.57 122.75 1ilf h LYS 11 Ca 0.23 -0.70 -0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1ilf h LYS 11 Cb 0.16 0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1ilf h LYS 11 CO -0.02 1.34 -0.02 0.35 -1.08 0.00 0.00 179.45 180.01 1ilf h PHE 12 N 0.07 0.00 0.00 -1.35 3.04 -1.17 0.51 116.94 118.04 1ilf h PHE 12 Ca -0.32 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.32 1ilf h PHE 12 Cb 2.08 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 40.53 1ilf h PHE 12 CO 0.11 0.02 -2.32 -0.85 -2.02 0.00 0.00 178.31 173.26 1ilf n GLU 13 N -3.15 0.68 -0.08 1.11 0.28 0.20 -4.35 120.64 115.34 1ilf n GLU 13 Ca -0.00 -0.04 -0.07 0.00 -0.16 0.00 0.00 57.16 56.89 1ilf n GLU 13 Cb 0.26 -1.52 -0.14 0.00 1.43 0.00 0.00 31.44 31.47 1ilf n GLU 13 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ilf n ASN 14 N -2.68 0.72 -4.75 -1.84 2.85 0.28 -4.92 115.26 104.93 1ilf n ASN 14 Ca -0.28 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.78 1ilf n ASN 14 Cb 1.06 1.01 -0.02 0.00 1.24 0.00 0.00 39.78 43.07 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 -2.49 4.22 0.00 1.20 2.02 0.18 -4.90 118.70 118.92 1ilf s GLU 15 Ca -0.08 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.30 1ilf s GLU 15 Cb 0.06 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1ilf s GLU 15 CO 0.72 -0.47 0.62 -0.85 0.02 0.00 0.00 175.26 175.30 1ilf n GLU 16 N 1.93 0.00 -0.32 1.61 0.28 -1.26 0.46 120.64 123.33 1ilf n GLU 16 Ca 0.06 0.21 0.12 0.00 -0.16 0.00 0.00 57.16 57.39 1ilf n GLU 16 Cb 0.39 -1.14 0.30 0.00 1.43 0.00 0.00 31.44 32.42 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 0.82 0.00 -1.84 3.04 -1.97 1.36 116.94 118.35 1ilf h PHE 17 Ca 0.00 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1ilf h PHE 17 Cb 0.00 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1ilf h PHE 17 CO 0.08 0.08 -0.13 0.35 -2.02 0.00 0.00 178.31 176.67 1ilf h PHE 18 N 0.55 0.00 0.00 0.41 3.04 -1.89 0.24 116.94 119.29 1ilf h PHE 18 Ca 0.55 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.50 1ilf h PHE 18 Cb 0.96 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1ilf h PHE 18 CO -0.08 0.13 -0.09 0.00 -2.02 0.00 0.00 178.31 176.25 1ilf h ARG 19 N 0.00 0.00 -0.98 1.11 3.08 0.66 0.49 114.38 118.74 1ilf h ARG 19 Ca -0.00 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.33 1ilf h ARG 19 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1ilf h ARG 19 CO 0.02 0.00 0.76 1.57 -1.07 0.00 0.00 179.97 181.25 1ilf h LYS 20 N -0.69 0.00 0.11 0.04 2.10 -0.03 0.78 116.57 118.87 1ilf h LYS 20 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1ilf h LYS 20 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1ilf h LYS 20 CO 0.00 0.00 -1.85 -0.07 -2.00 0.00 0.00 179.45 175.53 1ilf h LEU 21 N 0.00 0.35 -1.01 7.07 3.38 -0.62 -3.30 115.31 121.18 1ilf h LEU 21 Ca 0.46 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ilf h LEU 21 Cb 1.98 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1ilf h LEU 21 CO -0.00 1.62 0.19 -1.20 0.09 0.00 0.00 178.44 179.14 1ilf n SER 22 N -3.40 0.39 -1.42 -0.43 7.64 0.26 -1.97 113.62 114.69 1ilf n SER 22 Ca -0.26 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1ilf n SER 22 Cb 1.05 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.08 1.55 -4.19 1.43 5.12 -0.45 -3.70 116.66 114.35 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 0.21 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.39 1ilf n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ilf s GLU 24 N -0.49 3.64 0.16 5.56 2.02 -1.26 -2.04 118.70 126.28 1ilf s GLU 24 Ca 0.00 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.35 1ilf s GLU 24 Cb 0.00 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.22 1ilf s GLU 24 CO 0.00 0.10 0.35 0.00 0.02 0.00 0.00 175.26 175.73 1ilf n GLU 26 N -0.24 1.44 -4.19 0.00 1.02 -1.26 -1.55 120.64 115.86 1ilf n GLU 26 Ca -0.09 0.50 -0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1ilf n GLU 26 Cb 0.63 -1.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.99 0.58 -0.01 -3.67 -4.36 0.14 -1.59 121.20 111.30 1ilf s ILE 27 Ca 0.59 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.85 1ilf s ILE 27 Cb -0.69 -1.88 0.04 0.00 1.25 0.00 0.00 42.46 41.17 1ilf s ILE 27 CO 0.60 -0.68 0.42 -0.54 0.24 0.00 0.00 174.94 174.97 1ilf s LYS 28 N -3.90 0.81 0.20 0.37 1.02 -0.84 -0.76 119.74 116.64 1ilf s LYS 28 Ca 0.18 -0.13 -0.27 0.00 0.02 0.00 0.00 55.97 55.76 1ilf s LYS 28 Cb 0.06 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.65 1ilf s LYS 28 CO -0.01 -0.25 0.85 -0.47 -0.92 0.00 0.00 175.35 174.55 1ilf s TYR 29 N -1.56 3.94 -0.24 3.18 6.14 -0.83 0.28 117.35 128.26 1ilf s TYR 29 Ca -0.11 1.76 0.05 0.00 0.64 0.00 0.00 57.07 59.40 1ilf s TYR 29 Cb -0.03 -2.86 0.17 0.00 0.42 0.00 0.00 41.96 39.66 1ilf s TYR 29 CO 0.04 0.49 1.05 -2.37 0.64 0.00 0.00 175.55 175.39 1ilf n THR 30 N 1.58 0.00 0.00 4.34 5.66 -1.26 -4.85 114.28 119.75 1ilf n THR 30 Ca -0.04 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1ilf n THR 30 Cb 0.48 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 1ilf n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ilf n GLY 31 N -0.62 -0.00 1.52 1.09 0.00 -1.25 -4.75 105.19 101.18 1ilf n GLY 31 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.28 1.77 0.89 1.61 -1.74 -1.26 -4.42 117.46 113.03 1ilf n PHE 32 Ca 0.00 -1.28 0.12 0.00 -0.56 0.00 0.00 57.45 55.74 1ilf n PHE 32 Cb 0.00 -0.57 0.27 0.00 1.52 0.00 0.00 39.48 40.70 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 -0.58 0.08 0.00 3.97 0.00 -1.26 -4.14 116.66 114.73 1ilf n ARG 33 Ca 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1ilf n ARG 33 Cb 1.20 -1.55 0.01 0.00 -0.00 0.00 0.00 32.46 32.12 1ilf n ARG 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ilf n ASP 34 N -1.66 0.01 0.02 2.89 2.03 -1.26 -1.99 116.55 116.59 1ilf n ASP 34 Ca 0.05 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1ilf n ASP 34 Cb 0.36 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1ilf n ASP 34 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ilf n ARG 35 N -1.34 0.00 -1.75 -0.67 3.00 -1.26 -4.90 116.66 109.73 1ilf n ARG 35 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1ilf n ARG 35 Cb 0.17 -0.12 0.05 0.00 0.00 0.00 0.00 32.46 32.57 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 -2.78 2.93 -0.33 5.56 -0.04 -1.24 -4.83 135.00 134.27 1ilf n PRO 36 Ca 0.00 -3.63 0.05 0.00 -0.04 0.00 0.00 63.50 59.88 1ilf n PRO 36 Cb 0.00 -2.28 0.13 0.00 -0.04 0.00 0.00 33.50 31.31 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 2.41 -0.48 -0.51 0.54 2.76 -1.67 3.32 115.15 121.53 1ilf h HIS 37 Ca 0.53 0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.82 1ilf h HIS 37 Cb 0.67 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.96 1ilf h HIS 37 CO 1.20 -0.40 0.34 0.93 -1.30 0.00 0.00 177.93 178.70 1ilf h GLU 38 N 0.00 0.51 0.03 5.26 5.08 -1.88 0.52 114.58 124.10 1ilf h GLU 38 Ca 0.45 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.52 1ilf h GLU 38 Cb 0.69 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1ilf h GLU 38 CO -0.96 0.34 -1.40 1.49 -1.00 0.00 0.00 179.01 177.48 1ilf h GLU 39 N 0.52 0.07 -0.11 2.33 4.22 0.57 -3.20 114.58 118.98 1ilf h GLU 39 Ca 0.21 -0.11 0.03 0.00 0.08 0.00 0.00 59.36 59.57 1ilf h GLU 39 Cb 0.18 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ilf h GLU 39 CO -0.06 0.85 0.16 -0.09 -2.18 0.00 0.00 179.01 177.69 1ilf h ARG 40 N 0.02 0.00 -0.61 1.92 1.12 0.76 0.12 114.38 117.71 1ilf h ARG 40 Ca -0.17 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.73 1ilf h ARG 40 Cb 1.92 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.84 1ilf h ARG 40 CO 0.12 0.00 0.37 -0.56 -3.11 0.00 0.00 179.97 176.79 1ilf h GLN 41 N 0.00 0.69 0.07 0.20 3.07 -1.03 0.82 115.11 118.93 1ilf h GLN 41 Ca 0.05 -0.04 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 1ilf h GLN 41 Cb 0.36 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.75 1ilf h GLN 41 CO -0.00 0.46 -1.23 1.15 0.09 0.00 0.00 178.83 179.30 1ilf h THR 42 N 0.71 1.48 0.00 1.86 2.02 -1.11 -2.54 112.91 115.34 1ilf h THR 42 Ca 0.25 -3.14 -0.02 0.00 0.77 0.00 0.00 66.41 64.27 1ilf h THR 42 Cb 0.06 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1ilf h THR 42 CO -0.12 0.89 -0.08 0.03 0.37 0.00 0.00 175.52 176.61 1ilf h ARG 43 N 0.04 0.00 0.05 6.66 3.08 -0.03 1.05 114.38 125.23 1ilf h ARG 43 Ca -0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ilf h ARG 43 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.95 1ilf h ARG 43 CO 0.16 0.08 -0.02 0.35 -1.07 0.00 0.00 179.97 179.46 1ilf h PHE 44 N 0.00 -0.06 -0.14 3.04 3.57 0.66 0.12 116.94 124.13 1ilf h PHE 44 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1ilf h PHE 44 Cb 0.14 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1ilf h PHE 44 CO 0.00 0.53 0.10 1.96 -2.23 0.00 0.00 178.31 178.67 1ilf h GLN 45 N -0.91 0.07 0.00 1.11 4.20 -1.05 0.32 115.11 118.85 1ilf h GLN 45 Ca -0.01 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1ilf h GLN 45 Cb 0.62 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1ilf h GLN 45 CO 0.01 0.05 -0.64 -0.97 -0.67 0.00 0.00 178.83 176.60 1ilf h ASN 46 N 0.07 0.00 0.38 1.46 -0.73 0.11 -2.99 115.58 113.88 1ilf h ASN 46 Ca 0.06 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.14 1ilf h ASN 46 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1ilf h ASN 46 CO -0.01 0.61 -0.41 0.00 -0.37 0.00 0.00 177.43 177.26 1ilf h ALA 47 N 1.39 1.28 0.00 1.57 0.00 0.23 -0.09 119.26 123.64 1ilf h ALA 47 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1ilf h ALA 47 Cb 1.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ilf h ALA 47 CO 0.08 0.53 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 1ilf h ARG 49 N 0.00 0.00 -0.03 0.00 2.43 -1.07 -3.16 114.38 112.56 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 0.32 -0.13 -0.25 -1.51 0.00 0.00 179.97 178.41 1ilf n ASP 50 N -3.13 2.65 -2.03 -3.80 9.92 0.33 -4.58 116.55 115.92 1ilf n ASP 50 Ca 0.01 -1.84 -0.16 0.00 -0.53 0.00 0.00 54.79 52.28 1ilf n ASP 50 Cb 0.68 0.13 0.01 0.00 -0.64 0.00 0.00 41.12 41.30 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 1.36 -0.23 3.26 0.44 0.00 0.71 -4.92 105.19 105.81 1ilf n GLY 51 Ca 0.13 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.10 0.38 0.15 1.61 3.00 -0.64 0.54 118.95 118.89 1ilf s ARG 52 Ca 0.12 0.82 -0.06 0.00 0.00 0.00 0.00 55.73 56.61 1ilf s ARG 52 Cb -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 34.95 34.91 1ilf s ARG 52 CO 0.15 -0.17 0.20 -1.54 0.00 0.00 0.00 175.30 173.93 1ilf s SER 53 N 1.60 0.14 -0.33 0.23 1.04 -0.39 -4.41 113.70 111.59 1ilf s SER 53 Ca -0.08 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.37 1ilf s SER 53 Cb -0.09 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.51 1ilf s SER 53 CO -0.13 -0.83 0.07 -0.70 0.98 0.00 0.00 173.24 172.63 1ilf s GLU 54 N -4.00 1.11 0.03 4.02 2.56 -1.26 -1.30 118.70 119.85 1ilf s GLU 54 Ca 0.20 -1.49 0.04 0.00 0.00 0.00 0.00 54.97 53.72 1ilf s GLU 54 Cb 0.05 -2.62 -0.04 0.00 2.00 0.00 0.00 34.13 33.53 1ilf s GLU 54 CO 0.01 -0.96 -0.06 0.42 -0.56 0.00 0.00 175.26 174.11 1ilf s ILE 55 N 1.25 3.72 0.23 -3.70 -1.09 0.14 -3.84 121.20 117.91 1ilf s ILE 55 Ca 0.10 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.65 1ilf s ILE 55 Cb -0.18 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 1ilf s ILE 55 CO -0.16 0.32 0.46 0.00 -1.23 0.00 0.00 174.94 174.32 1ilf s ALA 56 N -1.07 3.74 -0.17 9.38 0.00 0.14 0.10 121.76 133.88 1ilf s ALA 56 Ca 0.19 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1ilf s ALA 56 Cb -0.11 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ilf s ALA 56 CO 0.10 0.37 -0.14 0.12 0.00 0.00 0.00 175.76 176.21 1ilf s PHE 57 N -1.94 2.82 -0.12 0.00 2.19 0.99 -1.99 117.98 119.93 1ilf s PHE 57 Ca 0.41 -1.12 0.20 0.00 0.33 0.00 0.00 56.93 56.74 1ilf s PHE 57 Cb -0.11 -1.94 0.41 0.00 -1.31 0.00 0.00 43.02 40.07 1ilf s PHE 57 CO 0.29 -0.54 1.61 0.28 1.83 0.00 0.00 175.22 178.68 1ilf h VAL 58 N 5.72 0.57 -0.64 3.12 2.07 -1.61 0.37 116.25 125.85 1ilf h VAL 58 Ca -0.37 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 65.68 1ilf h VAL 58 Cb 1.17 2.12 -0.12 0.00 -1.52 0.00 0.00 31.29 32.95 1ilf h VAL 58 CO 0.59 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 178.36 1ilf h ALA 59 N 1.70 0.48 0.00 1.67 0.00 -1.90 -3.27 119.26 117.94 1ilf h ALA 59 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ilf h ALA 59 Cb 1.10 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ilf h ALA 59 CO 0.04 -0.42 -0.31 0.25 0.00 0.00 0.00 179.25 178.81 1ilf n THR 60 N -5.40 0.00 -3.26 0.00 -2.24 -1.25 -5.02 114.28 97.11 1ilf n THR 60 Ca 0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1ilf n THR 60 Cb 0.34 0.69 0.08 0.00 -2.10 0.00 0.00 70.33 69.34 1ilf n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ilf n GLY 61 N 0.00 -0.36 3.33 3.38 0.00 0.12 -5.01 105.19 106.65 1ilf n GLY 61 Ca 0.00 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.33 3.02 0.04 2.61 -1.32 -0.66 -4.86 115.64 111.14 1ilf s THR 62 Ca 0.05 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.58 1ilf s THR 62 Cb -0.01 -2.29 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1ilf s THR 62 CO 0.66 0.50 0.98 0.21 -2.21 0.00 0.00 174.62 174.76 1ilf s ASN 63 N 0.67 7.41 -0.12 8.08 2.47 -1.26 -0.01 114.94 132.19 1ilf s ASN 63 Ca -0.06 1.71 0.00 0.00 0.42 0.00 0.00 52.86 54.94 1ilf s ASN 63 Cb -0.15 -2.58 0.02 0.00 -1.45 0.00 0.00 41.25 37.09 1ilf s ASN 63 CO 0.02 -0.20 -0.11 -0.76 -3.72 0.00 0.00 177.10 172.33 1ilf s LEU 64 N 0.66 1.48 -0.43 3.21 1.43 0.29 -4.95 118.68 120.37 1ilf s LEU 64 Ca 0.50 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1ilf s LEU 64 Cb -0.22 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1ilf s LEU 64 CO 0.29 -0.06 0.26 -0.44 0.23 0.00 0.00 176.35 176.63 1ilf s SER 65 N 1.42 5.54 0.14 2.29 0.01 -1.26 0.24 113.70 122.08 1ilf s SER 65 Ca 0.01 -1.71 0.10 0.00 1.31 0.00 0.00 55.95 55.66 1ilf s SER 65 Cb -0.13 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1ilf s SER 65 CO -0.07 -0.57 -0.20 -1.48 0.41 0.00 0.00 173.24 171.33 1ilf s LEU 66 N 1.34 2.59 -0.30 2.44 -0.00 -0.42 -4.97 118.68 119.36 1ilf s LEU 66 Ca 0.04 -0.65 -0.04 0.00 -0.00 0.00 0.00 54.13 53.48 1ilf s LEU 66 Cb -0.24 -1.42 0.03 0.00 -0.00 0.00 0.00 46.19 44.57 1ilf s LEU 66 CO -0.00 0.16 0.03 0.00 -0.00 0.00 0.00 176.35 176.54 1ilf s GLN 67 N -2.27 2.71 -0.24 1.48 0.00 -1.26 -1.27 119.66 118.81 1ilf s GLN 67 Ca 0.18 -1.10 -0.08 0.00 -0.00 0.00 0.00 55.36 54.36 1ilf s GLN 67 Cb -0.10 -3.26 -0.04 0.00 0.00 0.00 0.00 33.01 29.62 1ilf s GLN 67 CO 0.10 -0.55 0.09 -0.59 0.00 0.00 0.00 175.29 174.34 1ilf s PHE 68 N 1.36 3.16 0.06 9.60 -0.12 0.19 -3.98 117.98 128.25 1ilf s PHE 68 Ca -0.01 -0.17 -0.26 0.00 -0.05 0.00 0.00 56.93 56.43 1ilf s PHE 68 Cb -0.18 -2.22 0.07 0.00 -0.63 0.00 0.00 43.02 40.05 1ilf s PHE 68 CO 0.00 -0.17 0.62 -0.06 -0.05 0.00 0.00 175.22 175.56 1ilf s PHE 69 N 1.30 -0.57 -0.19 3.49 0.08 -1.26 -4.07 117.98 116.75 1ilf s PHE 69 Ca 0.05 0.67 -0.28 0.00 0.12 0.00 0.00 56.93 57.49 1ilf s PHE 69 Cb -0.15 0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 42.73 1ilf s PHE 69 CO 0.04 -0.73 2.09 -1.25 -0.10 0.00 0.00 175.22 175.28 1ilf s PRO 70 N -2.57 3.35 0.33 0.24 0.04 -1.26 -4.82 135.00 130.30 1ilf s PRO 70 Ca -0.05 2.02 0.21 0.00 0.04 0.00 0.00 61.00 63.22 1ilf s PRO 70 Cb -0.01 -4.30 1.12 0.00 0.04 0.00 0.00 34.50 31.36 1ilf s PRO 70 CO -0.02 -1.85 1.62 0.00 0.04 0.00 0.00 177.00 176.78 1ilf n ALA 71 N 10.70 0.98 -0.42 8.56 0.00 -1.26 -2.76 120.51 136.31 1ilf n ALA 71 Ca 0.27 0.19 0.34 0.00 0.00 0.00 0.00 53.44 54.24 1ilf n ALA 71 Cb 0.45 -1.24 0.63 0.00 0.00 0.00 0.00 19.45 19.28 1ilf n ALA 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ilf h SER 72 N 0.00 0.27 -3.58 0.00 0.02 -2.04 -3.39 113.55 104.83 1ilf h SER 72 Ca 0.00 0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 60.54 1ilf h SER 72 Cb 0.09 0.09 0.04 0.00 0.14 0.00 0.00 62.40 62.76 1ilf h SER 72 CO 0.00 -0.11 0.61 -1.66 -1.14 0.00 0.00 176.83 174.53 1ilf s TRP 73 N -5.31 3.27 -0.26 3.45 1.48 -1.11 -4.94 118.94 115.53 1ilf s TRP 73 Ca -0.08 1.36 0.10 0.00 -1.06 0.00 0.00 56.10 56.42 1ilf s TRP 73 Cb 0.28 -3.55 0.47 0.00 -1.16 0.00 0.00 33.47 29.51 1ilf s TRP 73 CO 0.82 -1.59 1.35 1.04 -4.06 0.00 0.00 176.95 174.50 1ilf n GLN 74 N 1.94 1.72 -0.41 3.25 6.02 -1.26 -5.04 117.38 123.61 1ilf n GLN 74 Ca 0.03 -3.26 0.00 0.00 -0.01 0.00 0.00 57.00 53.76 1ilf n GLN 74 Cb 0.43 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.12 1.57 2.45 1.08 0.00 -1.26 -5.02 105.19 102.87 1ilf n GLY 75 Ca 0.27 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 3.09 -3.71 1.61 1.02 -1.26 -4.77 120.64 116.61 1ilf n GLU 76 Ca 0.00 -2.59 -0.35 0.00 -0.02 0.00 0.00 57.16 54.21 1ilf n GLU 76 Cb 0.00 -2.30 -0.08 0.00 -0.02 0.00 0.00 31.44 29.03 1ilf n GLU 76 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ilf s GLN 77 N -1.23 2.92 0.04 3.49 -0.21 -1.26 -5.06 119.66 118.34 1ilf s GLN 77 Ca 0.58 -3.09 -0.18 0.00 0.02 0.00 0.00 55.36 52.70 1ilf s GLN 77 Cb 0.31 -3.79 -0.09 0.00 1.00 0.00 0.00 33.01 30.44 1ilf s GLN 77 CO -0.16 -1.24 0.44 0.54 -2.12 0.00 0.00 175.29 172.74 1ilf n ARG 78 N 2.58 0.00 -4.46 2.91 1.74 -1.26 -4.96 116.66 113.21 1ilf n ARG 78 Ca 0.17 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 1ilf n ARG 78 Cb 0.37 -0.66 -0.10 0.00 -1.02 0.00 0.00 32.46 31.05 1ilf n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ilf s GLN 79 N -0.19 1.64 0.32 5.56 -0.21 -1.26 -5.14 119.66 120.39 1ilf s GLN 79 Ca 0.41 -1.76 -0.21 0.00 0.02 0.00 0.00 55.36 53.82 1ilf s GLN 79 Cb -0.57 -1.63 -0.10 0.00 1.00 0.00 0.00 33.01 31.71 1ilf s GLN 79 CO 0.28 0.27 0.84 -0.08 -2.12 0.00 0.00 175.29 174.49 1ilf s THR 80 N -2.62 4.45 -0.93 -0.19 -1.32 -1.26 -4.93 115.64 108.85 1ilf s THR 80 Ca 0.29 1.40 -0.26 0.00 -1.21 0.00 0.00 61.69 61.92 1ilf s THR 80 Cb -0.03 -3.78 -0.16 0.00 -1.51 0.00 0.00 72.50 67.02 1ilf s THR 80 CO 0.14 -0.03 2.25 -2.16 -2.21 0.00 0.00 174.62 172.60 1ilf s PRO 81 N -2.53 1.54 0.40 7.08 0.04 -1.26 -4.70 135.00 135.56 1ilf s PRO 81 Ca 0.52 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.33 1ilf s PRO 81 Cb -0.14 -4.90 -0.09 0.00 0.04 0.00 0.00 34.50 29.42 1ilf s PRO 81 CO 0.19 -4.76 1.10 0.45 0.04 0.00 0.00 177.00 174.02 1ilf s SER 82 N 9.60 6.65 0.53 6.66 0.15 -1.25 -4.73 113.70 131.31 1ilf s SER 82 Ca 0.86 2.19 0.32 0.00 0.70 0.00 0.00 55.95 60.01 1ilf s SER 82 Cb -0.09 -2.60 1.75 0.00 -1.71 0.00 0.00 66.02 63.37 1ilf s SER 82 CO 0.11 -0.57 1.98 0.03 1.20 0.00 0.00 173.24 175.99 1ilf h ARG 83 N 2.60 0.00 -0.02 5.44 2.47 -1.69 0.98 114.38 124.16 1ilf h ARG 83 Ca -0.48 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.26 1ilf h ARG 83 Cb 1.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 1ilf h ARG 83 CO 0.62 0.00 -0.12 0.93 0.56 0.00 0.00 179.97 181.97 1ilf h GLU 84 N 0.00 -0.18 0.00 0.04 5.08 -1.95 -3.29 114.58 114.27 1ilf h GLU 84 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ilf h GLU 84 Cb 0.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ilf h GLU 84 CO 0.00 -0.12 -1.48 0.66 -1.00 0.00 0.00 179.01 177.07 1ilf n TYR 85 N -5.25 0.00 -3.47 4.33 4.02 -0.80 -4.18 117.16 111.81 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 0.17 -0.25 -0.12 0.00 -0.02 0.00 0.00 39.34 39.12 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 -2.77 -0.36 0.07 -0.72 -7.23 0.33 0.51 120.40 110.23 1ilf s VAL 86 Ca -0.04 -0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 1ilf s VAL 86 Cb 0.08 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 1ilf s VAL 86 CO 0.48 -0.23 0.29 -0.62 -0.31 0.00 0.00 175.10 174.71 1ilf s ASP 87 N 2.35 6.45 0.00 4.85 -1.08 -0.90 -1.72 116.67 126.62 1ilf s ASP 87 Ca 0.08 0.47 0.05 0.00 -0.52 0.00 0.00 52.55 52.62 1ilf s ASP 87 Cb -0.16 -2.05 0.08 0.00 -1.46 0.00 0.00 42.92 39.33 1ilf s ASP 87 CO -0.15 0.15 0.87 0.18 0.52 0.00 0.00 175.17 176.74 1ilf n LEU 88 N 0.48 -0.16 -5.02 -1.34 4.32 -1.26 -4.48 117.00 109.54 1ilf n LEU 88 Ca -0.06 -1.51 -0.18 0.00 -0.02 0.00 0.00 56.01 54.24 1ilf n LEU 88 Cb 0.52 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.34 1ilf n LEU 88 CO 0.47 0.95 0.21 -0.70 -1.22 0.00 0.00 177.39 177.11 1ilf s GLU 89 N 0.00 2.67 -1.19 3.23 -6.30 -1.26 -4.98 118.70 110.87 1ilf s GLU 89 Ca 0.06 -1.34 -0.08 0.00 -2.50 0.00 0.00 54.97 51.11 1ilf s GLU 89 Cb 0.07 -2.72 -0.08 0.00 0.00 0.00 0.00 34.13 31.40 1ilf s GLU 89 CO -0.03 -0.45 2.55 2.89 0.02 0.00 0.00 175.26 180.24 1ilf n ARG 90 N -1.97 2.80 0.11 4.30 0.00 -1.26 -4.33 116.66 116.31 1ilf n ARG 90 Ca 0.10 -1.76 0.12 0.00 -0.00 0.00 0.00 57.85 56.31 1ilf n ARG 90 Cb 0.60 -2.58 0.00 0.00 -0.00 0.00 0.00 32.46 30.48 1ilf n ARG 90 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ilf h GLU 91 N 5.56 0.00 0.00 2.89 4.39 -1.93 -3.49 114.58 121.99 1ilf h GLU 91 Ca 0.65 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.35 1ilf h GLU 91 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ilf h GLU 91 CO 1.54 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 179.39 1ilf n ALA 92 N -2.18 0.00 0.80 3.43 0.00 -1.26 -5.00 120.51 116.30 1ilf n ALA 92 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ilf n ALA 92 Cb 0.55 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.15 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 0.88 3.31 0.00 0.00 -1.26 -4.88 105.19 103.24 1ilf n GLY 93 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 1ilf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ilf s LYS 94 N -1.62 1.67 -0.19 1.61 3.01 -1.26 -4.35 119.74 118.61 1ilf s LYS 94 Ca 0.22 -1.89 0.01 0.00 -1.01 0.00 0.00 55.97 53.30 1ilf s LYS 94 Cb 0.13 0.34 0.03 0.00 -1.01 0.00 0.00 37.83 37.31 1ilf s LYS 94 CO 0.13 -0.62 -0.16 0.54 0.51 0.00 0.00 175.35 175.74 1ilf s VAL 95 N -3.53 1.92 -0.06 3.17 0.11 -0.91 -4.84 120.40 116.27 1ilf s VAL 95 Ca 0.38 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1ilf s VAL 95 Cb 0.03 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.02 1ilf s VAL 95 CO 0.23 0.39 0.03 -0.72 -3.33 0.00 0.00 175.10 171.70 1ilf s TYR 96 N 1.32 3.21 0.01 1.54 -0.85 -1.26 -1.72 117.35 119.61 1ilf s TYR 96 Ca 0.02 0.21 -0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1ilf s TYR 96 Cb -0.14 -1.77 -0.01 0.00 0.38 0.00 0.00 41.96 40.41 1ilf s TYR 96 CO -0.11 0.51 -0.02 -0.48 -1.52 0.00 0.00 175.55 173.93 1ilf s LEU 97 N -1.21 2.17 -0.16 -3.49 -0.00 -0.85 -2.11 118.68 113.02 1ilf s LEU 97 Ca 0.17 -0.37 -0.00 0.00 -0.00 0.00 0.00 54.13 53.92 1ilf s LEU 97 Cb -0.12 0.08 -0.00 0.00 -0.00 0.00 0.00 46.19 46.16 1ilf s LEU 97 CO 0.06 -0.23 -0.14 -0.75 -0.00 0.00 0.00 176.35 175.30 1ilf s LYS 98 N -1.09 3.24 -0.02 1.48 2.20 0.18 -1.96 119.74 123.77 1ilf s LYS 98 Ca -0.12 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 1ilf s LYS 98 Cb -0.07 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 1ilf s LYS 98 CO -0.01 -0.02 -0.15 0.00 -0.36 0.00 0.00 175.35 174.82 1ilf s ALA 99 N 0.91 1.30 -0.10 3.13 0.00 0.01 -4.27 121.76 122.74 1ilf s ALA 99 Ca -0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 1ilf s ALA 99 Cb -0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1ilf s ALA 99 CO -0.01 0.29 0.48 -1.25 0.00 0.00 0.00 175.76 175.27 1ilf s PRO 100 N -0.20 4.30 0.24 0.00 0.04 -1.26 -0.68 135.00 137.45 1ilf s PRO 100 Ca 0.03 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.51 1ilf s PRO 100 Cb -0.08 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1ilf s PRO 100 CO 0.00 0.23 0.28 0.00 0.04 0.00 0.00 177.00 177.54 1ilf s MET 101 N 0.39 1.43 -0.43 4.56 0.23 -0.61 -4.73 119.30 120.14 1ilf s MET 101 Ca 0.26 -1.59 -0.12 0.00 -1.03 0.00 0.00 55.69 53.21 1ilf s MET 101 Cb -0.16 0.35 0.06 0.00 -1.53 0.00 0.00 34.83 33.56 1ilf s MET 101 CO 0.11 -0.53 0.31 0.42 -2.03 0.00 0.00 175.02 173.30 1ilf s ILE 102 N -3.91 4.75 0.09 3.16 -1.09 -1.26 -1.71 121.20 121.21 1ilf s ILE 102 Ca 0.34 -1.13 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1ilf s ILE 102 Cb 0.04 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1ilf s ILE 102 CO 0.14 -0.48 0.05 -0.76 -1.23 0.00 0.00 174.94 172.66 1ilf s LEU 103 N 1.55 3.65 0.00 2.97 1.43 -0.49 -4.86 118.68 122.92 1ilf s LEU 103 Ca 0.03 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1ilf s LEU 103 Cb -0.23 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1ilf s LEU 103 CO 0.05 0.17 0.00 -3.20 0.23 0.00 0.00 176.35 173.60 1ilf n ASN 104 N 0.46 0.00 -4.24 2.29 2.85 -1.26 0.13 115.26 115.49 1ilf n ASN 104 Ca -0.09 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.01 1ilf n ASN 104 Cb 0.52 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.48 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 -4.93 105.19 110.45 1ilf n GLY 105 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -4.11 0.00 -0.56 1.61 1.01 0.35 -2.92 120.40 115.78 1ilf s VAL 106 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 1ilf s VAL 106 Cb -0.09 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ilf s VAL 106 CO 0.99 0.00 0.96 0.00 0.00 0.00 0.00 175.10 177.05 1ilf s VAL 108 N 4.03 2.44 -0.19 0.00 -7.23 -0.70 -1.99 120.40 116.76 1ilf s VAL 108 Ca 0.31 -1.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 1ilf s VAL 108 Cb -0.12 -2.88 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1ilf s VAL 108 CO 0.19 0.00 0.21 -0.63 -0.31 0.00 0.00 175.10 174.56 1ilf s ILE 109 N -2.54 -0.30 -0.21 -0.62 -1.09 0.23 -1.58 121.20 115.08 1ilf s ILE 109 Ca 0.45 -0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.61 1ilf s ILE 109 Cb -0.01 -0.64 -0.03 0.00 -1.58 0.00 0.00 42.46 40.19 1ilf s ILE 109 CO 0.26 -0.19 0.48 0.86 -1.23 0.00 0.00 174.94 175.13 1ilf s TRP 110 N 2.31 3.36 -0.02 3.97 -0.00 0.15 -0.79 118.94 127.91 1ilf s TRP 110 Ca 0.06 0.71 0.01 0.00 -0.00 0.00 0.00 56.10 56.88 1ilf s TRP 110 Cb -0.15 -2.64 0.01 0.00 -0.00 0.00 0.00 33.47 30.68 1ilf s TRP 110 CO -0.11 -0.10 -0.05 0.21 -0.00 0.00 0.00 176.95 176.90 1ilf s LYS 111 N 1.64 0.52 -0.10 5.86 2.36 -0.16 -0.81 119.74 129.05 1ilf s LYS 111 Ca 0.22 -0.14 -0.32 0.00 -2.55 0.00 0.00 55.97 53.18 1ilf s LYS 111 Cb -0.15 -0.53 0.12 0.00 -1.05 0.00 0.00 37.83 36.21 1ilf s LYS 111 CO 0.09 0.04 1.04 0.20 1.55 0.00 0.00 175.35 178.28 1ilf s GLY 112 N 0.25 -0.37 0.05 5.54 0.00 -0.83 -0.20 107.32 111.77 1ilf s GLY 112 Ca -0.03 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.10 1ilf s GLY 112 CO -0.00 0.48 -0.02 0.66 0.00 0.00 0.00 173.10 174.22 1ilf s TRP 113 N -2.65 2.98 0.10 1.90 1.48 0.70 -2.01 118.94 121.43 1ilf s TRP 113 Ca 0.07 -0.01 0.10 0.00 -1.06 0.00 0.00 56.10 55.20 1ilf s TRP 113 Cb -0.01 -1.58 -0.04 0.00 -1.16 0.00 0.00 33.47 30.69 1ilf s TRP 113 CO -0.06 0.45 -0.26 0.42 -4.06 0.00 0.00 176.95 173.44 1ilf s ILE 114 N -1.19 2.25 0.00 0.66 -1.09 -0.70 -1.31 121.20 119.82 1ilf s ILE 114 Ca 0.22 -1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 56.81 1ilf s ILE 114 Cb -0.11 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1ilf s ILE 114 CO 0.14 0.20 0.72 1.51 -1.23 0.00 0.00 174.94 176.28 1ilf s ASP 115 N -1.74 7.10 0.00 3.58 1.47 -0.57 -2.13 116.67 124.38 1ilf s ASP 115 Ca 0.13 1.32 0.00 0.00 1.18 0.00 0.00 52.55 55.18 1ilf s ASP 115 Cb -0.10 -2.43 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 1ilf s ASP 115 CO 0.05 -0.01 0.88 0.18 0.68 0.00 0.00 175.17 176.94 1ilf n LEU 116 N 3.10 0.16 0.00 2.11 4.77 -1.26 -1.00 117.00 124.88 1ilf n LEU 116 Ca -0.03 -0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1ilf n LEU 116 Cb 0.51 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1ilf n LEU 116 CO 0.47 0.04 -0.16 1.57 -1.33 0.00 0.00 177.39 177.98 1ilf n HIS 117 N -0.41 0.00 0.34 -1.77 -0.00 -1.26 -4.78 115.22 107.33 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 0.04 -0.12 0.10 0.00 -0.12 0.00 0.00 29.99 29.89 1ilf n HIS 117 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ilf h ARG 118 N -0.23 0.00 -0.14 1.57 3.08 -2.00 -3.48 114.38 113.18 1ilf h ARG 118 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1ilf h ARG 118 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1ilf h ARG 118 CO 0.00 0.00 -0.05 1.28 -1.07 0.00 0.00 179.97 180.13 1ilf n LEU 119 N -2.45 -0.26 -4.25 3.04 4.77 -0.17 -4.95 117.00 112.72 1ilf n LEU 119 Ca 0.02 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1ilf n LEU 119 Cb 0.50 -0.77 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1ilf n LEU 119 CO 0.38 -0.12 -0.51 -1.81 -1.33 0.00 0.00 177.39 174.00 1ilf s ASP 120 N -2.97 2.39 0.00 -1.43 1.01 -1.25 -1.97 116.67 112.46 1ilf s ASP 120 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.66 1ilf s ASP 120 Cb 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.77 1ilf s ASP 120 CO 0.00 0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.08 1ilf n GLY 121 N 1.46 3.68 3.04 0.21 0.00 0.06 -1.51 105.19 112.13 1ilf n GLY 121 Ca -0.19 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 3.44 0.81 0.00 1.61 -1.94 -0.43 0.28 119.30 123.07 1ilf s MET 122 Ca 0.00 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1ilf s MET 122 Cb 0.00 -0.78 0.00 0.00 2.01 0.00 0.00 34.83 36.06 1ilf s MET 122 CO 0.00 0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 1ilf n GLY 123 N 2.84 4.87 3.64 -0.03 0.00 -0.60 -0.21 105.19 115.70 1ilf n GLY 123 Ca -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 43.99 1ilf n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilf s LEU 125 N -1.39 3.78 0.08 0.00 1.43 -0.83 -0.99 118.68 120.75 1ilf s LEU 125 Ca 0.10 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1ilf s LEU 125 Cb -0.01 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1ilf s LEU 125 CO -0.06 0.03 0.31 -1.61 0.23 0.00 0.00 176.35 175.25 1ilf s GLU 126 N -3.37 0.90 -0.07 1.70 2.02 0.03 -4.17 118.70 115.73 1ilf s GLU 126 Ca 0.31 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1ilf s GLU 126 Cb -0.09 0.38 -0.03 0.00 0.10 0.00 0.00 34.13 34.50 1ilf s GLU 126 CO 0.24 -0.31 -0.12 0.12 0.02 0.00 0.00 175.26 175.21 1ilf s PHE 127 N -3.23 2.79 -0.35 1.61 2.19 -1.26 0.74 117.98 120.47 1ilf s PHE 127 Ca -0.00 -0.19 -0.21 0.00 0.33 0.00 0.00 56.93 56.86 1ilf s PHE 127 Cb 0.01 -1.69 0.00 0.00 -1.31 0.00 0.00 43.02 40.03 1ilf s PHE 127 CO -0.08 0.16 0.67 0.34 1.83 0.00 0.00 175.22 178.14 1ilf s ASP 128 N -0.56 6.48 0.05 6.13 2.15 -0.84 -4.92 116.67 125.16 1ilf s ASP 128 Ca 0.08 0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.41 1ilf s ASP 128 Cb -0.12 -2.35 -0.22 0.00 -0.30 0.00 0.00 42.92 39.94 1ilf s ASP 128 CO 0.02 -0.60 1.03 -0.33 -0.17 0.00 0.00 175.17 175.12 1ilf h GLU 129 N 8.40 0.01 0.46 4.34 5.08 -1.98 -2.60 114.58 128.29 1ilf h GLU 129 Ca -0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1ilf h GLU 129 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ilf h GLU 129 CO 0.85 0.82 -0.22 0.93 -1.00 0.00 0.00 179.01 180.38 1ilf h GLU 130 N 0.00 -0.60 -0.35 2.33 5.08 -2.00 -3.20 114.58 115.84 1ilf h GLU 130 Ca -0.12 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ilf h GLU 130 Cb 1.87 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.24 1ilf h GLU 130 CO 0.11 -0.34 0.06 -0.09 -1.00 0.00 0.00 179.01 177.75 1ilf h ARG 131 N -1.11 0.52 -0.43 2.33 2.43 -1.99 -2.07 114.38 114.07 1ilf h ARG 131 Ca -0.06 -0.09 0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1ilf h ARG 131 Cb 0.53 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ilf h ARG 131 CO 0.10 0.51 0.44 0.00 -1.51 0.00 0.00 179.97 179.51 1ilf h ALA 132 N 1.55 2.15 0.09 2.80 0.00 -1.50 0.16 119.26 124.51 1ilf h ALA 132 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 1ilf h ALA 132 Cb 0.25 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ilf h ALA 132 CO 0.00 -0.66 -1.14 0.37 0.00 0.00 0.00 179.25 177.82 1ilf h GLN 133 N 0.00 0.37 -0.47 0.00 4.15 -1.36 -3.29 115.11 114.50 1ilf h GLN 133 Ca 0.20 -0.51 -0.12 0.00 0.77 0.00 0.00 58.65 58.99 1ilf h GLN 133 Cb 1.08 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1ilf h GLN 133 CO -0.00 1.20 -0.19 1.96 -1.93 0.00 0.00 178.83 179.87 1ilf h GLN 134 N 0.15 0.93 -0.95 1.69 4.20 -0.78 -2.35 115.11 118.01 1ilf h GLN 134 Ca -0.12 -0.37 0.21 0.00 0.06 0.00 0.00 58.65 58.42 1ilf h GLN 134 Cb 1.83 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 29.49 1ilf h GLN 134 CO 0.20 1.03 0.62 0.93 -0.67 0.00 0.00 178.83 180.94 1ilf h GLU 135 N 0.81 0.44 -0.20 1.46 5.08 -1.47 0.86 114.58 121.57 1ilf h GLU 135 Ca 0.11 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1ilf h GLU 135 Cb 0.74 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ilf h GLU 135 CO 0.06 0.29 -0.65 0.22 -1.00 0.00 0.00 179.01 177.93 1ilf h ASP 136 N 0.46 0.84 -0.03 1.42 3.58 -1.54 0.19 116.42 121.34 1ilf h ASP 136 Ca 0.51 -0.50 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ilf h ASP 136 Cb 1.20 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.01 1ilf h ASP 136 CO -0.22 1.27 0.00 0.00 -2.88 0.00 0.00 179.24 177.41 1ilf h ALA 137 N 0.73 0.03 -0.35 -0.78 0.00 0.90 0.54 119.26 120.33 1ilf h ALA 137 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1ilf h ALA 137 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ilf h ALA 137 CO 0.13 -0.31 -0.37 -0.07 0.00 0.00 0.00 179.25 178.64 1ilf h LEU 138 N -0.24 0.93 -1.04 0.00 3.38 0.15 -2.81 115.31 115.68 1ilf h LEU 138 Ca 0.01 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1ilf h LEU 138 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ilf h LEU 138 CO 0.00 1.21 -0.19 0.00 0.09 0.00 0.00 178.44 179.55 1ilf h ALA 139 N 0.75 1.00 -3.25 1.53 0.00 -0.61 -3.39 119.26 115.29 1ilf h ALA 139 Ca 0.05 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 1ilf h ALA 139 Cb 0.96 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.32 1ilf h ALA 139 CO 0.09 0.24 -0.76 -0.65 0.00 0.00 0.00 179.25 178.17 1ilf s GLN 140 N -3.59 0.82 0.00 0.00 -1.52 0.19 -5.02 119.66 110.55 1ilf s GLN 140 Ca 0.01 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 52.50 1ilf s GLN 140 Cb 0.10 -2.12 0.03 0.00 -0.22 0.00 0.00 33.01 30.80 1ilf s GLN 140 CO 0.63 -0.87 0.62 1.04 -0.25 0.00 0.00 175.29 176.46