#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dsf s LEU 4 N 0.00 1.47 -0.13 1.69 1.43 -1.26 -1.06 118.68 120.82 1dsf s LEU 4 Ca 0.00 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1dsf s LEU 4 Cb 0.00 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1dsf s LEU 4 CO 0.00 -0.05 -0.10 -0.69 0.23 0.00 0.00 176.35 175.75 1dsf s VAL 5 N 1.29 1.24 0.01 -1.59 1.01 -0.59 -3.48 120.40 118.29 1dsf s VAL 5 Ca -0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1dsf s VAL 5 Cb -0.14 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1dsf s VAL 5 CO -0.05 0.36 0.35 -1.61 0.00 0.00 0.00 175.10 174.16 1dsf s GLU 6 N 1.62 3.75 0.22 2.72 8.01 -1.25 -0.56 118.70 133.20 1dsf s GLU 6 Ca 0.04 0.19 -0.08 0.00 0.01 0.00 0.00 54.97 55.14 1dsf s GLU 6 Cb -0.13 -3.13 -0.02 0.00 -4.31 0.00 0.00 34.13 26.54 1dsf s GLU 6 CO -0.09 0.66 0.32 -1.54 0.01 0.00 0.00 175.26 174.62 1dsf s SER 7 N -1.37 0.02 0.00 -0.19 1.04 0.10 -4.68 113.70 108.62 1dsf s SER 7 Ca 0.26 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1dsf s SER 7 Cb -0.15 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1dsf s SER 7 CO 0.14 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1dsf n GLY 8 N -0.32 1.78 3.79 7.32 0.00 -1.26 -0.46 105.19 116.04 1dsf n GLY 8 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1dsf n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dsf s GLY 9 N -2.41 2.42 0.00 -0.02 0.00 -1.26 -4.65 107.32 101.40 1dsf s GLY 9 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1dsf s GLY 9 CO 0.00 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1dsf n GLY 10 N -0.33 1.34 3.53 0.20 0.00 -0.97 -4.87 105.19 104.09 1dsf n GLY 10 Ca 0.10 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1dsf n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dsf s LEU 11 N 0.00 3.68 0.40 0.99 2.96 -1.26 -0.16 118.68 125.28 1dsf s LEU 11 Ca 0.00 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1dsf s LEU 11 Cb 0.00 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1dsf s LEU 11 CO 0.00 0.01 0.12 0.68 -1.32 0.00 0.00 176.35 175.84 1dsf s VAL 12 N 1.37 0.69 0.17 1.68 -7.23 -0.09 -4.96 120.40 112.04 1dsf s VAL 12 Ca 0.06 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 1dsf s VAL 12 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1dsf s VAL 12 CO 0.05 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.42 1dsf s LYS 13 N -3.75 2.82 0.12 4.82 -0.14 -1.26 -1.68 119.74 120.67 1dsf s LYS 13 Ca 0.26 -0.93 -0.35 0.00 -1.36 0.00 0.00 55.97 53.58 1dsf s LYS 13 Cb 0.03 -2.59 -0.15 0.00 -1.68 0.00 0.00 37.83 33.44 1dsf s LYS 13 CO 0.14 0.47 1.45 -2.30 -0.76 0.00 0.00 175.35 174.36 1dsf n PRO 14 N -0.40 1.60 -0.03 -1.68 -0.02 -1.26 -1.11 135.00 132.10 1dsf n PRO 14 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1dsf n PRO 14 Cb 0.55 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1dsf n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dsf n GLY 15 N 2.94 0.50 3.90 -1.23 0.00 0.32 -4.89 105.19 106.74 1dsf n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1dsf n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dsf s GLY 16 N -1.05 1.78 0.06 -0.02 0.00 -0.27 -3.96 107.32 103.86 1dsf s GLY 16 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.55 1dsf s GLY 16 CO 0.00 -0.42 -0.16 -0.56 0.00 0.00 0.00 173.10 171.95 1dsf s SER 17 N -4.83 1.92 -0.20 1.64 0.01 -1.26 -1.09 113.70 109.89 1dsf s SER 17 Ca 0.75 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 57.25 1dsf s SER 17 Cb -0.04 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.14 1dsf s SER 17 CO 0.54 0.02 0.59 -0.22 0.41 0.00 0.00 173.24 174.58 1dsf s LEU 18 N -1.43 -0.27 -0.22 2.44 2.96 0.85 -4.98 118.68 118.04 1dsf s LEU 18 Ca 0.02 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1dsf s LEU 18 Cb -0.09 2.06 0.03 0.00 0.50 0.00 0.00 46.19 48.69 1dsf s LEU 18 CO 0.02 -0.25 -0.13 -0.75 -1.32 0.00 0.00 176.35 173.92 1dsf s LYS 19 N 0.11 2.81 0.17 1.98 2.20 -1.26 0.10 119.74 125.85 1dsf s LYS 19 Ca -0.02 -0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 54.51 1dsf s LYS 19 Cb -0.04 -2.80 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1dsf s LYS 19 CO 0.02 -0.35 0.51 -0.51 -0.36 0.00 0.00 175.35 174.66 1dsf s LEU 20 N 1.27 4.27 0.03 5.43 1.02 0.86 -4.58 118.68 126.99 1dsf s LEU 20 Ca 0.01 0.93 0.06 0.00 0.02 0.00 0.00 54.13 55.15 1dsf s LEU 20 Cb -0.16 -3.39 -0.02 0.00 0.02 0.00 0.00 46.19 42.64 1dsf s LEU 20 CO -0.08 0.04 -0.18 -0.44 0.02 0.00 0.00 176.35 175.71 1dsf s SER 21 N -2.03 2.19 -0.17 2.29 0.01 0.39 -1.92 113.70 114.46 1dsf s SER 21 Ca 0.41 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1dsf s SER 21 Cb -0.13 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1dsf s SER 21 CO 0.20 0.14 0.01 0.00 0.41 0.00 0.00 173.24 174.00 1dsf s ALA 23 N 1.81 3.60 0.15 0.00 0.00 0.27 -1.57 121.76 126.03 1dsf s ALA 23 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1dsf s ALA 23 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1dsf s ALA 23 CO -0.07 0.14 0.30 0.00 0.00 0.00 0.00 175.76 176.13 1dsf s ALA 24 N 0.28 3.94 -0.26 0.00 0.00 -0.80 -1.54 121.76 123.37 1dsf s ALA 24 Ca 0.18 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1dsf s ALA 24 Cb -0.13 -1.86 0.14 0.00 0.00 0.00 0.00 23.12 21.27 1dsf s ALA 24 CO 0.05 0.56 1.12 -1.54 0.00 0.00 0.00 175.76 175.96 1dsf s SER 25 N -3.07 -0.33 0.00 0.00 1.04 -0.22 -4.91 113.70 106.21 1dsf s SER 25 Ca 0.36 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1dsf s SER 25 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1dsf s SER 25 CO 0.28 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1dsf n GLY 26 N 1.70 0.70 3.32 7.32 0.00 -1.26 -0.77 105.19 116.20 1dsf n GLY 26 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1dsf n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dsf s PHE 27 N -2.43 0.64 -0.94 1.61 -0.71 -1.26 -4.85 117.98 110.05 1dsf s PHE 27 Ca 0.00 -0.98 0.14 0.00 -1.04 0.00 0.00 56.93 55.05 1dsf s PHE 27 Cb 0.00 -0.20 0.58 0.00 -1.21 0.00 0.00 43.02 42.19 1dsf s PHE 27 CO 0.00 -0.72 1.43 -0.89 -1.34 0.00 0.00 175.22 173.71 1dsf n ILE 28 N -0.23 1.11 0.00 -4.49 2.08 -1.26 -4.89 119.36 111.68 1dsf n ILE 28 Ca -0.04 0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.56 1dsf n ILE 28 Cb 0.64 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 1dsf n ILE 28 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1dsf n PHE 29 N -1.57 0.00 0.73 1.39 7.35 -1.26 -4.03 117.46 120.06 1dsf n PHE 29 Ca 0.03 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.79 1dsf n PHE 29 Cb 0.15 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.36 1dsf n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1dsf n SER 30 N 0.00 0.00 -2.19 -2.13 3.41 -1.26 -2.65 113.62 108.80 1dsf n SER 30 Ca 0.00 -0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 1dsf n SER 30 Cb 0.00 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1dsf n SER 30 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1dsf n ASP 31 N -1.23 4.44 -3.78 4.04 5.68 -1.26 -4.62 116.55 119.82 1dsf n ASP 31 Ca 0.08 -3.52 -0.13 0.00 -0.50 0.00 0.00 54.79 50.71 1dsf n ASP 31 Cb 0.10 -0.38 -0.14 0.00 -1.14 0.00 0.00 41.12 39.57 1dsf n ASP 31 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1dsf s ASN 32 N -3.61 -0.10 0.39 -1.12 0.01 -1.09 -2.51 114.94 106.91 1dsf s ASN 32 Ca 0.47 0.25 -0.24 0.00 -0.71 0.00 0.00 52.86 52.64 1dsf s ASN 32 Cb 0.40 0.19 -0.10 0.00 0.41 0.00 0.00 41.25 42.15 1dsf s ASN 32 CO -0.00 -0.10 0.98 -0.31 -1.51 0.00 0.00 177.10 176.16 1dsf s TYR 33 N 0.71 3.41 0.17 2.20 1.51 -0.46 -3.81 117.35 121.08 1dsf s TYR 33 Ca -0.05 1.68 0.09 0.00 -1.01 0.00 0.00 57.07 57.78 1dsf s TYR 33 Cb -0.07 -2.98 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 1dsf s TYR 33 CO -0.03 -0.20 -0.12 -1.64 -1.11 0.00 0.00 175.55 172.45 1dsf s MET 34 N -2.57 1.98 0.07 -0.62 -1.94 0.30 -2.37 119.30 114.15 1dsf s MET 34 Ca 0.57 -1.27 -0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1dsf s MET 34 Cb -0.17 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 1dsf s MET 34 CO 0.22 0.44 0.02 0.71 -0.01 0.00 0.00 175.02 176.40 1dsf s TYR 35 N -1.61 0.56 -0.10 -0.03 1.51 0.01 -1.05 117.35 116.64 1dsf s TYR 35 Ca 0.23 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1dsf s TYR 35 Cb -0.09 -0.37 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1dsf s TYR 35 CO 0.14 -0.44 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.44 1dsf s TRP 36 N -3.94 1.68 0.02 2.71 0.52 -0.83 -1.30 118.94 117.80 1dsf s TRP 36 Ca 0.11 -0.77 0.04 0.00 0.02 0.00 0.00 56.10 55.49 1dsf s TRP 36 Cb 0.07 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1dsf s TRP 36 CO -0.07 -0.44 -0.11 0.08 0.02 0.00 0.00 176.95 176.43 1dsf s VAL 37 N 1.14 0.85 0.08 4.03 1.01 -0.15 -0.56 120.40 126.79 1dsf s VAL 37 Ca -0.05 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1dsf s VAL 37 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1dsf s VAL 37 CO -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 175.10 174.83 1dsf s ARG 38 N -0.91 1.41 -0.17 2.72 1.70 -0.16 -0.55 118.95 123.00 1dsf s ARG 38 Ca -0.00 -1.14 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 1dsf s ARG 38 Cb -0.07 -1.68 -0.01 0.00 -0.57 0.00 0.00 34.95 32.62 1dsf s ARG 38 CO 0.01 0.41 -0.08 -1.14 -1.08 0.00 0.00 175.30 173.42 1dsf s GLN 39 N -1.60 3.45 0.75 3.89 0.74 -0.43 0.13 119.66 126.59 1dsf s GLN 39 Ca 0.10 -0.62 -0.12 0.00 0.05 0.00 0.00 55.36 54.77 1dsf s GLN 39 Cb -0.10 -2.84 0.04 0.00 1.10 0.00 0.00 33.01 31.21 1dsf s GLN 39 CO 0.04 0.06 1.13 0.95 -0.55 0.00 0.00 175.29 176.92 1dsf s THR 40 N 0.79 2.89 0.38 -0.34 -4.23 0.11 -1.71 115.64 113.53 1dsf s THR 40 Ca -0.03 0.29 0.32 0.00 -1.18 0.00 0.00 61.69 61.09 1dsf s THR 40 Cb -0.15 -3.29 0.32 0.00 1.34 0.00 0.00 72.50 70.73 1dsf s THR 40 CO 0.01 -0.38 1.98 -0.65 -0.54 0.00 0.00 174.62 175.05 1dsf h PRO 41 N -0.82 0.00 -0.00 3.99 0.11 -1.90 0.28 132.00 133.66 1dsf h PRO 41 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1dsf h PRO 41 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1dsf h PRO 41 CO 0.65 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.74 1dsf n GLU 42 N -2.72 0.66 -0.41 1.05 4.71 -1.26 -4.91 120.64 117.76 1dsf n GLU 42 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 1dsf n GLU 42 Cb 0.16 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1dsf n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1dsf n LYS 43 N -1.00 0.00 -2.30 3.49 5.02 0.97 -5.05 118.16 119.30 1dsf n LYS 43 Ca 0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.07 1dsf n LYS 43 Cb 0.27 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1dsf n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dsf s LEU 45 N -3.07 3.81 -0.13 0.00 1.43 -1.26 -0.71 118.68 118.76 1dsf s LEU 45 Ca 0.64 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1dsf s LEU 45 Cb -0.27 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1dsf s LEU 45 CO 0.33 0.22 -0.09 -1.61 0.23 0.00 0.00 176.35 175.42 1dsf s GLU 46 N 0.08 1.75 0.23 1.70 2.02 0.12 -4.99 118.70 119.60 1dsf s GLU 46 Ca 0.05 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 1dsf s GLU 46 Cb -0.12 -1.75 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 1dsf s GLU 46 CO 0.01 -0.26 1.34 -0.46 0.02 0.00 0.00 175.26 175.91 1dsf s TRP 47 N 1.64 3.17 -0.25 1.61 -0.00 -1.26 -0.98 118.94 122.87 1dsf s TRP 47 Ca 0.05 1.19 -0.13 0.00 -0.00 0.00 0.00 56.10 57.21 1dsf s TRP 47 Cb -0.13 -3.67 -0.11 0.00 -0.00 0.00 0.00 33.47 29.57 1dsf s TRP 47 CO -0.09 -2.09 -0.33 0.28 -0.00 0.00 0.00 176.95 174.73 1dsf n VAL 48 N 2.34 1.40 -3.71 5.86 0.31 0.27 -4.55 118.33 120.25 1dsf n VAL 48 Ca 0.06 -0.32 -0.06 0.00 -0.01 0.00 0.00 64.34 64.00 1dsf n VAL 48 Cb 0.42 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1dsf n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dsf s ALA 49 N -2.49 -1.52 0.00 3.52 0.00 -1.10 -1.86 121.76 118.32 1dsf s ALA 49 Ca -0.35 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1dsf s ALA 49 Cb 0.13 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1dsf s ALA 49 CO 0.44 -0.96 0.01 0.99 0.00 0.00 0.00 175.76 176.25 1dsf s THR 50 N -3.54 0.06 -0.04 0.00 2.01 -0.08 -1.97 115.64 112.08 1dsf s THR 50 Ca 0.09 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1dsf s THR 50 Cb -0.03 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.31 1dsf s THR 50 CO 0.00 -0.28 0.08 -0.51 -0.69 0.00 0.00 174.62 173.23 1dsf s ILE 51 N -0.84 -0.04 0.91 1.82 2.07 -0.21 -1.95 121.20 122.95 1dsf s ILE 51 Ca -0.09 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1dsf s ILE 51 Cb -0.06 -0.15 0.14 0.00 0.13 0.00 0.00 42.46 42.52 1dsf s ILE 51 CO -0.00 0.06 1.13 -0.94 -1.91 0.00 0.00 174.94 173.27 1dsf s SER 52 N 0.83 3.53 0.24 4.50 1.04 0.08 -0.54 113.70 123.38 1dsf s SER 52 Ca -0.07 1.04 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1dsf s SER 52 Cb -0.09 -1.65 -0.09 0.00 0.10 0.00 0.00 66.02 64.28 1dsf s SER 52 CO -0.03 -2.55 1.35 1.51 0.98 0.00 0.00 173.24 174.50 1dsf s ASP 52 N -3.93 6.80 0.00 7.02 -4.77 -1.25 -1.82 116.67 118.71 1dsf s ASP 52 Ca 0.64 2.53 0.00 0.00 -3.30 0.00 0.00 52.55 52.42 1dsf s ASP 52 Cb -0.15 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1dsf s ASP 52 CO 0.54 -0.58 0.00 0.61 0.70 0.00 0.00 175.17 176.44 1dsf n GLY 53 N 2.07 2.16 2.48 2.12 0.00 -1.26 -4.29 105.19 108.47 1dsf n GLY 53 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1dsf n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dsf n GLY 54 N -2.00 1.05 0.16 -0.02 0.00 -0.76 -4.88 105.19 98.74 1dsf n GLY 54 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.95 1dsf n GLY 54 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1dsf h THR 55 N 0.00 0.76 -4.05 2.61 1.35 -1.81 -3.45 112.91 108.32 1dsf h THR 55 Ca -0.40 -1.98 -0.40 0.00 -0.55 0.00 0.00 66.41 63.08 1dsf h THR 55 Cb 1.26 2.31 -0.28 0.00 -1.73 0.00 0.00 68.15 69.71 1dsf h THR 55 CO 0.55 0.42 -0.78 -0.47 -0.25 0.00 0.00 175.52 174.98 1dsf s TYR 56 N -3.07 0.89 0.02 4.73 5.04 -1.26 -5.03 117.35 118.67 1dsf s TYR 56 Ca 0.04 -0.20 -0.08 0.00 -2.44 0.00 0.00 57.07 54.38 1dsf s TYR 56 Cb 0.08 -0.56 0.00 0.00 0.35 0.00 0.00 41.96 41.82 1dsf s TYR 56 CO 0.73 -0.01 0.17 0.42 -1.34 0.00 0.00 175.55 175.51 1dsf s ILE 57 N -0.36 0.10 -0.01 3.14 1.01 -1.26 -0.74 121.20 123.09 1dsf s ILE 57 Ca 0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 1dsf s ILE 57 Cb -0.04 -0.75 0.02 0.00 0.01 0.00 0.00 42.46 41.70 1dsf s ILE 57 CO -0.00 -0.47 0.31 -0.62 0.00 0.00 0.00 174.94 174.16 1dsf s ASP 58 N -1.84 -0.18 0.21 3.58 -1.08 -0.82 -4.98 116.67 111.56 1dsf s ASP 58 Ca -0.09 0.06 0.03 0.00 -0.52 0.00 0.00 52.55 52.04 1dsf s ASP 58 Cb -0.03 0.31 -0.05 0.00 -1.46 0.00 0.00 42.92 41.69 1dsf s ASP 58 CO -0.02 -0.46 -0.01 -0.31 0.52 0.00 0.00 175.17 174.90 1dsf s TYR 59 N -1.40 1.47 0.33 -5.34 1.51 -1.26 -0.91 117.35 111.75 1dsf s TYR 59 Ca -0.13 -0.94 -0.18 0.00 -1.01 0.00 0.00 57.07 54.81 1dsf s TYR 59 Cb -0.05 -0.84 -0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1dsf s TYR 59 CO 0.04 -0.08 0.79 -1.54 -1.11 0.00 0.00 175.55 173.65 1dsf s SER 60 N -3.27 6.89 0.24 2.29 1.04 -0.78 -4.87 113.70 115.25 1dsf s SER 60 Ca 0.27 1.43 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 1dsf s SER 60 Cb 0.06 -2.43 0.41 0.00 0.10 0.00 0.00 66.02 64.16 1dsf s SER 60 CO 0.07 -0.19 1.76 0.44 0.98 0.00 0.00 173.24 176.30 1dsf h ASP 61 N 2.43 0.43 0.15 7.02 3.32 -1.95 0.40 116.42 128.22 1dsf h ASP 61 Ca -0.48 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1dsf h ASP 61 Cb 1.18 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1dsf h ASP 61 CO 0.64 0.21 0.00 -1.54 -1.72 0.00 0.00 179.24 176.84 1dsf n SER 62 N -4.90 0.01 -0.02 6.45 3.41 -1.26 -2.45 113.62 114.85 1dsf n SER 62 Ca 0.13 0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1dsf n SER 62 Cb 0.35 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1dsf n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1dsf n VAL 63 N -1.51 0.29 -1.53 -3.33 0.31 0.01 -4.97 118.33 107.61 1dsf n VAL 63 Ca 0.01 -0.25 -0.48 0.00 -0.01 0.00 0.00 64.34 63.60 1dsf n VAL 63 Cb 0.05 -0.34 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 1dsf n VAL 63 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1dsf n LYS 64 N -2.06 0.83 0.00 5.55 5.02 -0.49 -1.56 118.16 125.43 1dsf n LYS 64 Ca -0.08 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1dsf n LYS 64 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1dsf n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dsf n GLY 65 N 1.75 1.15 0.13 0.72 0.00 -1.26 -4.62 105.19 103.06 1dsf n GLY 65 Ca 0.15 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1dsf n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dsf h ARG 66 N 0.00 0.40 -6.19 1.61 3.08 -1.80 -3.46 114.38 108.03 1dsf h ARG 66 Ca 0.00 -0.65 -0.60 0.00 0.07 0.00 0.00 59.98 58.80 1dsf h ARG 66 Cb 0.00 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1dsf h ARG 66 CO 0.00 1.30 -0.58 -0.06 -1.07 0.00 0.00 179.97 179.56 1dsf s PHE 67 N -2.70 3.17 -0.07 3.04 0.40 -0.60 -4.60 117.98 116.61 1dsf s PHE 67 Ca -0.06 0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1dsf s PHE 67 Cb 0.06 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 42.07 1dsf s PHE 67 CO 0.91 0.52 0.11 0.99 0.70 0.00 0.00 175.22 178.45 1dsf s THR 68 N -1.60 -0.19 -0.03 0.64 2.01 -0.09 -4.84 115.64 111.54 1dsf s THR 68 Ca 0.30 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 1dsf s THR 68 Cb -0.11 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1dsf s THR 68 CO 0.23 0.13 0.05 -0.51 -0.69 0.00 0.00 174.62 173.83 1dsf s ILE 69 N 2.23 4.58 -0.20 1.82 2.07 -1.26 -0.41 121.20 130.04 1dsf s ILE 69 Ca 0.04 -0.37 -0.24 0.00 -1.41 0.00 0.00 60.65 58.66 1dsf s ILE 69 Cb -0.12 -3.04 0.06 0.00 0.13 0.00 0.00 42.46 39.49 1dsf s ILE 69 CO -0.05 0.43 0.65 -0.94 -1.91 0.00 0.00 174.94 173.12 1dsf s SER 70 N -1.48 -0.67 -0.91 4.50 1.04 -0.99 -4.99 113.70 110.21 1dsf s SER 70 Ca 0.20 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.76 1dsf s SER 70 Cb -0.12 1.15 0.22 0.00 0.10 0.00 0.00 66.02 67.38 1dsf s SER 70 CO 0.10 -0.32 0.81 0.00 0.98 0.00 0.00 173.24 174.81 1dsf s ARG 71 N -0.02 3.39 0.89 4.02 1.70 -1.26 0.73 118.95 128.39 1dsf s ARG 71 Ca -0.03 -3.18 -0.12 0.00 -0.47 0.00 0.00 55.73 51.94 1dsf s ARG 71 Cb -0.04 -4.06 0.17 0.00 -0.57 0.00 0.00 34.95 30.46 1dsf s ARG 71 CO 0.03 -1.25 1.22 -0.51 -1.08 0.00 0.00 175.30 173.71 1dsf s ASP 72 N 0.25 3.52 -0.21 -2.89 1.01 -1.07 -4.95 116.67 112.34 1dsf s ASP 72 Ca 0.27 0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.64 1dsf s ASP 72 Cb -0.09 -0.28 0.05 0.00 1.01 0.00 0.00 42.92 43.62 1dsf s ASP 72 CO -0.11 -2.45 -0.05 0.21 0.21 0.00 0.00 175.17 172.99 1dsf s ASN 73 N -4.83 3.42 -0.10 0.27 3.04 -1.26 -3.56 114.94 111.92 1dsf s ASN 73 Ca 0.71 -0.97 -0.01 0.00 0.04 0.00 0.00 52.86 52.63 1dsf s ASN 73 Cb -0.05 -1.04 -0.06 0.00 -1.54 0.00 0.00 41.25 38.57 1dsf s ASN 73 CO 0.50 -0.22 -0.10 0.00 -3.04 0.00 0.00 177.10 174.24 1dsf n ALA 74 N 4.78 1.98 0.00 1.71 0.00 -1.26 -4.97 120.51 122.75 1dsf n ALA 74 Ca -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1dsf n ALA 74 Cb 0.46 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1dsf n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1dsf n LYS 75 N -3.01 0.00 -3.59 0.00 0.00 -1.26 -5.03 118.16 105.28 1dsf n LYS 75 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.87 1dsf n LYS 75 Cb 0.67 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.73 1dsf n LYS 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1dsf n ASN 76 N 0.00 -5.70 -4.28 3.14 4.13 -1.26 -4.75 115.26 106.54 1dsf n ASN 76 Ca 0.00 -0.87 -0.26 0.00 1.68 0.00 0.00 54.58 55.13 1dsf n ASN 76 Cb 0.00 -3.54 -0.14 0.00 -1.54 0.00 0.00 39.78 34.56 1dsf n ASN 76 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1dsf s ASN 77 N -3.34 2.64 -0.05 6.41 0.02 -1.23 -1.91 114.94 117.47 1dsf s ASN 77 Ca 0.36 -0.57 0.06 0.00 -1.02 0.00 0.00 52.86 51.68 1dsf s ASN 77 Cb -0.12 -0.21 -0.02 0.00 0.02 0.00 0.00 41.25 40.92 1dsf s ASN 77 CO 0.84 0.16 -0.23 -0.22 0.02 0.00 0.00 177.10 177.68 1dsf s LEU 78 N -1.35 2.22 0.18 0.60 0.20 -0.61 -2.59 118.68 117.33 1dsf s LEU 78 Ca 0.08 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.54 1dsf s LEU 78 Cb -0.09 -1.41 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 1dsf s LEU 78 CO 0.02 0.27 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.89 1dsf s TYR 79 N -0.30 1.69 -0.23 5.38 2.02 0.22 -1.54 117.35 124.60 1dsf s TYR 79 Ca 0.01 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 1dsf s TYR 79 Cb -0.13 -0.82 0.10 0.00 -0.40 0.00 0.00 41.96 40.71 1dsf s TYR 79 CO 0.02 0.31 0.22 -1.17 -1.57 0.00 0.00 175.55 173.36 1dsf s LEU 80 N -2.94 -0.03 -0.21 -1.29 2.96 -0.81 -2.35 118.68 114.01 1dsf s LEU 80 Ca 0.18 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1dsf s LEU 80 Cb -0.03 0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.91 1dsf s LEU 80 CO 0.06 -0.35 0.53 -1.58 -1.32 0.00 0.00 176.35 173.68 1dsf s GLN 81 N 2.30 4.16 0.33 1.98 2.00 0.46 -0.10 119.66 130.79 1dsf s GLN 81 Ca 0.07 0.41 0.09 0.00 -2.00 0.00 0.00 55.36 53.93 1dsf s GLN 81 Cb -0.15 -3.58 -0.05 0.00 0.80 0.00 0.00 33.01 30.02 1dsf s GLN 81 CO -0.18 -0.20 0.05 -1.64 -0.50 0.00 0.00 175.29 172.82 1dsf s MET 82 N 1.82 2.20 -0.97 1.67 -1.94 0.28 -0.92 119.30 121.44 1dsf s MET 82 Ca 0.24 -1.64 -0.10 0.00 -1.71 0.00 0.00 55.69 52.48 1dsf s MET 82 Cb -0.15 -2.04 0.10 0.00 2.01 0.00 0.00 34.83 34.74 1dsf s MET 82 CO 0.09 0.15 0.24 0.43 -0.01 0.00 0.00 175.02 175.93 1dsf n SER 82 N -1.01 -0.61 -4.71 3.03 7.64 -0.25 -0.10 113.62 117.61 1dsf n SER 82 Ca -0.04 -0.68 -0.42 0.00 1.01 0.00 0.00 58.87 58.74 1dsf n SER 82 Cb 0.62 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1dsf n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dsf s LEU 82 N -4.61 4.38 0.35 -3.43 1.43 -0.68 -4.50 118.68 111.62 1dsf s LEU 82 Ca 0.34 2.84 0.08 0.00 -1.03 0.00 0.00 54.13 56.36 1dsf s LEU 82 Cb -0.20 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1dsf s LEU 82 CO 0.55 -0.99 0.28 -0.13 0.23 0.00 0.00 176.35 176.29 1dsf s ARG 83 N 1.74 2.66 0.32 1.70 0.52 -1.26 0.12 118.95 124.75 1dsf s ARG 83 Ca 0.77 -1.36 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 1dsf s ARG 83 Cb -0.49 -2.43 0.56 0.00 0.52 0.00 0.00 34.95 33.12 1dsf s ARG 83 CO 0.34 0.06 1.80 0.66 0.02 0.00 0.00 175.30 178.18 1dsf h SER 84 N 1.26 0.36 0.00 0.23 4.64 -1.96 -0.92 113.55 117.16 1dsf h SER 84 Ca -0.44 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1dsf h SER 84 Cb 1.26 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1dsf h SER 84 CO 0.59 0.58 0.06 1.21 -0.87 0.00 0.00 176.83 178.39 1dsf n GLU 85 N -4.17 0.12 -0.03 4.77 2.13 -1.26 -1.48 120.64 120.72 1dsf n GLU 85 Ca -0.00 0.61 0.13 0.00 0.66 0.00 0.00 57.16 58.56 1dsf n GLU 85 Cb 0.35 -1.96 0.39 0.00 0.27 0.00 0.00 31.44 30.50 1dsf n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1dsf n ASP 86 N -2.17 1.97 -4.75 4.31 8.00 -0.35 -4.93 116.55 118.63 1dsf n ASP 86 Ca -0.01 -1.67 -0.41 0.00 0.71 0.00 0.00 54.79 53.40 1dsf n ASP 86 Cb 0.08 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1dsf n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dsf s THR 87 N -1.93 2.97 -4.38 -3.53 -4.23 -0.55 -4.89 115.64 99.10 1dsf s THR 87 Ca 0.35 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 1dsf s THR 87 Cb 0.20 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1dsf s THR 87 CO 0.31 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 1dsf n GLY 88 N 1.72 -2.61 3.59 3.99 0.00 -0.75 -4.54 105.19 106.59 1dsf n GLY 88 Ca 0.04 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1dsf n GLY 88 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1dsf s MET 89 N -1.98 3.93 -0.12 1.61 -2.45 -0.70 -1.03 119.30 118.58 1dsf s MET 89 Ca 0.00 -0.12 -0.15 0.00 -1.25 0.00 0.00 55.69 54.18 1dsf s MET 89 Cb 0.00 -3.68 -0.05 0.00 1.25 0.00 0.00 34.83 32.35 1dsf s MET 89 CO 0.00 -0.29 0.36 0.71 1.05 0.00 0.00 175.02 176.84 1dsf s TYR 90 N 1.99 3.53 0.09 4.11 1.51 0.18 -1.31 117.35 127.45 1dsf s TYR 90 Ca 0.13 0.75 0.09 0.00 -1.01 0.00 0.00 57.07 57.02 1dsf s TYR 90 Cb -0.16 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 1dsf s TYR 90 CO 0.10 0.33 -0.23 0.71 -1.11 0.00 0.00 175.55 175.35 1dsf s TYR 91 N 0.12 2.01 0.26 2.71 1.51 0.29 -0.02 117.35 124.24 1dsf s TYR 91 Ca 0.20 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1dsf s TYR 91 Cb -0.14 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1dsf s TYR 91 CO 0.07 0.20 0.32 0.00 -1.11 0.00 0.00 175.55 175.04 1dsf s GLY 93 N -3.96 0.51 0.09 0.00 0.00 -0.42 -1.73 107.32 101.80 1dsf s GLY 93 Ca 0.35 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 1dsf s GLY 93 CO 0.28 -0.56 0.16 1.09 0.00 0.00 0.00 173.10 174.07 1dsf s ARG 94 N -3.84 0.84 -0.11 2.90 1.70 -0.52 -0.81 118.95 119.11 1dsf s ARG 94 Ca 0.21 -1.04 -0.05 0.00 -0.47 0.00 0.00 55.73 54.38 1dsf s ARG 94 Cb -0.02 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.73 1dsf s ARG 94 CO 0.10 -0.25 0.24 -1.54 -1.08 0.00 0.00 175.30 172.76 1dsf s SER 95 N -2.89 -0.05 0.28 -2.89 1.04 -1.00 0.53 113.70 108.72 1dsf s SER 95 Ca 0.07 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.72 1dsf s SER 95 Cb 0.05 0.47 -0.11 0.00 0.10 0.00 0.00 66.02 66.53 1dsf s SER 95 CO -0.09 -0.19 1.57 -2.16 0.98 0.00 0.00 173.24 173.34 1dsf s PRO 96 N 1.60 4.15 0.27 4.02 0.04 -1.26 -1.35 135.00 142.47 1dsf s PRO 96 Ca -0.06 2.52 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1dsf s PRO 96 Cb -0.11 -3.04 0.38 0.00 0.04 0.00 0.00 34.50 31.77 1dsf s PRO 96 CO -0.08 -0.59 1.64 0.82 0.04 0.00 0.00 177.00 178.83 1dsf h ILE 97 N 3.43 1.35 0.00 0.56 1.08 -1.87 -3.28 117.51 118.79 1dsf h ILE 97 Ca -0.47 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 1dsf h ILE 97 Cb 1.22 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1dsf h ILE 97 CO 0.79 0.51 -0.13 -1.22 -0.69 0.00 0.00 178.15 177.42 1dsf n TYR 98 N -3.95 0.08 0.06 1.37 4.01 -1.26 -4.66 117.16 112.81 1dsf n TYR 98 Ca -0.02 0.02 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 1dsf n TYR 98 Cb 0.54 -0.48 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1dsf n TYR 98 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1dsf n TYR 99 N -1.57 0.00 -2.86 -0.72 4.01 -1.24 -5.10 117.16 109.69 1dsf n TYR 99 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1dsf n TYR 99 Cb 0.35 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 1dsf n TYR 99 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1dsf n ASP 100 N -1.41 -7.83 0.00 7.72 2.03 -1.26 -5.04 116.55 110.75 1dsf n ASP 100 Ca -0.00 0.77 0.00 0.00 0.52 0.00 0.00 54.79 56.08 1dsf n ASP 100 Cb 0.08 -5.10 0.00 0.00 -0.72 0.00 0.00 41.12 35.38 1dsf n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1dsf n TYR 100 N 0.05 0.00 -3.79 -0.67 4.01 -1.26 -5.15 117.16 110.35 1dsf n TYR 100 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 1dsf n TYR 100 Cb 0.34 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.28 1dsf n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dsf s ALA 100 N -2.00 -0.65 0.90 -0.72 0.00 -1.26 -5.14 121.76 112.90 1dsf s ALA 100 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.00 1dsf s ALA 100 Cb 0.00 0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.39 1dsf s ALA 100 CO 0.00 -0.28 1.13 -2.14 0.00 0.00 0.00 175.76 174.47 1dsf s PRO 100 N -1.59 1.13 -1.29 0.00 0.02 -1.26 -3.31 135.00 128.69 1dsf s PRO 100 Ca -0.12 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 62.24 1dsf s PRO 100 Cb -0.05 -1.75 -0.00 0.00 0.02 0.00 0.00 34.50 32.72 1dsf s PRO 100 CO 0.02 -2.51 0.60 1.19 -0.33 0.00 0.00 177.00 175.97 1dsf n PHE 100 N -4.14 -1.78 -0.08 6.54 3.72 -1.25 -4.87 117.46 115.59 1dsf n PHE 100 Ca 0.11 0.64 -0.00 0.00 -0.05 0.00 0.00 57.45 58.14 1dsf n PHE 100 Cb 0.52 -3.70 0.28 0.00 -0.94 0.00 0.00 39.48 35.64 1dsf n PHE 100 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1dsf h THR 101 N -1.88 1.19 -4.02 4.37 2.02 0.09 -3.44 112.91 111.25 1dsf h THR 101 Ca -0.64 -0.61 -0.44 0.00 0.77 0.00 0.00 66.41 65.48 1dsf h THR 101 Cb 1.37 0.63 -0.24 0.00 -1.74 0.00 0.00 68.15 68.17 1dsf h THR 101 CO 0.56 0.24 -0.79 -0.31 0.37 0.00 0.00 175.52 175.59 1dsf s TYR 102 N -5.29 1.24 0.19 3.16 2.02 -0.88 -4.97 117.35 112.81 1dsf s TYR 102 Ca -0.09 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.32 1dsf s TYR 102 Cb 0.16 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 1dsf s TYR 102 CO 0.77 0.04 -0.19 -1.58 -1.57 0.00 0.00 175.55 173.03 1dsf s TRP 103 N -0.95 1.93 0.00 2.71 0.52 -1.26 -1.44 118.94 120.45 1dsf s TRP 103 Ca 0.01 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1dsf s TRP 103 Cb -0.08 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.30 1dsf s TRP 103 CO 0.02 0.40 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1dsf n GLY 104 N 0.09 0.27 0.13 0.98 0.00 -0.70 -4.78 105.19 101.18 1dsf n GLY 104 Ca -0.11 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.12 1dsf n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1dsf h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.90 -3.47 115.11 114.43 1dsf h GLN 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1dsf h GLN 105 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1dsf h GLN 105 CO 0.00 0.27 0.00 0.41 0.09 0.00 0.00 178.83 179.60 1dsf n GLY 106 N 1.26 2.38 2.77 0.06 0.00 -1.26 -5.03 105.19 105.37 1dsf n GLY 106 Ca -0.02 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1dsf n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dsf s THR 107 N -2.26 -0.11 0.17 2.61 -1.32 0.98 -4.71 115.64 111.00 1dsf s THR 107 Ca 0.00 0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 60.61 1dsf s THR 107 Cb 0.00 -0.16 -0.08 0.00 -1.51 0.00 0.00 72.50 70.75 1dsf s THR 107 CO 0.00 0.13 0.65 -0.22 -2.21 0.00 0.00 174.62 172.96 1dsf s LEU 108 N 1.66 4.38 -0.07 9.08 2.96 -1.26 0.52 118.68 135.95 1dsf s LEU 108 Ca -0.02 1.29 -0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1dsf s LEU 108 Cb -0.12 -3.37 0.02 0.00 0.50 0.00 0.00 46.19 43.22 1dsf s LEU 108 CO -0.04 0.10 -0.04 0.54 -1.32 0.00 0.00 176.35 175.59 1dsf s VAL 109 N -1.43 0.58 -0.19 1.68 0.11 -0.19 -2.30 120.40 118.67 1dsf s VAL 109 Ca 0.39 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1dsf s VAL 109 Cb -0.17 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1dsf s VAL 109 CO 0.20 0.27 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.19 1dsf s THR 110 N 1.47 1.92 -0.47 5.04 2.01 0.77 -1.81 115.64 124.57 1dsf s THR 110 Ca -0.02 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.87 1dsf s THR 110 Cb -0.13 -1.81 0.09 0.00 0.01 0.00 0.00 72.50 70.65 1dsf s THR 110 CO -0.03 0.40 0.37 -0.69 -0.69 0.00 0.00 174.62 173.98 1dsf s VAL 111 N 1.32 4.84 0.10 3.82 1.01 -1.26 -0.91 120.40 129.32 1dsf s VAL 111 Ca 0.02 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 1dsf s VAL 111 Cb -0.14 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.34 1dsf s VAL 111 CO -0.11 -0.64 0.76 -0.94 0.00 0.00 0.00 175.10 174.18 1dsf s SER 112 N 2.67 -0.42 0.00 3.32 1.04 -0.68 -4.36 113.70 115.26 1dsf s SER 112 Ca 0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1dsf s SER 112 Cb -0.25 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1dsf s SER 112 CO 0.04 -0.85 0.00 0.00 0.98 0.00 0.00 173.24 173.41