#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sks s ILE 4 N 0.00 4.21 -0.05 -0.18 1.01 -1.26 -4.75 121.20 120.18 1sks s ILE 4 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 1sks s ILE 4 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1sks s ILE 4 CO 0.00 0.19 0.59 -0.63 0.00 0.00 0.00 174.94 175.09 1sks s ILE 5 N 0.59 5.01 -0.36 2.92 1.01 -0.66 -4.97 121.20 124.74 1sks s ILE 5 Ca 0.54 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 62.29 1sks s ILE 5 Cb -0.27 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1sks s ILE 5 CO 0.31 0.35 0.22 -1.00 0.00 0.00 0.00 174.94 174.82 1sks s HIS 6 N 0.26 3.22 0.60 3.97 3.76 -1.26 -0.82 115.29 125.02 1sks s HIS 6 Ca 0.31 -0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 54.64 1sks s HIS 6 Cb -0.17 -2.46 0.04 0.00 1.11 0.00 0.00 32.58 31.09 1sks s HIS 6 CO 0.16 -0.50 0.87 -0.51 -0.85 0.00 0.00 174.74 173.90 1sks s LEU 7 N 1.65 3.13 0.14 0.89 1.43 -0.55 -4.97 118.68 120.40 1sks s LEU 7 Ca 0.04 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1sks s LEU 7 Cb -0.18 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1sks s LEU 7 CO 0.08 -1.27 0.06 0.42 0.23 0.00 0.00 176.35 175.87 1sks s THR 8 N -2.95 0.15 0.18 5.49 -4.23 -1.26 -4.72 115.64 108.31 1sks s THR 8 Ca 0.57 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1sks s THR 8 Cb -0.10 -2.08 0.10 0.00 1.34 0.00 0.00 72.50 71.75 1sks s THR 8 CO 0.41 -0.44 1.74 0.44 -0.54 0.00 0.00 174.62 176.23 1sks h ASP 9 N 2.83 0.11 1.34 3.99 3.32 -1.90 -2.27 116.42 123.85 1sks h ASP 9 Ca -0.35 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1sks h ASP 9 Cb 1.20 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 1sks h ASP 9 CO 0.59 0.09 -0.04 0.44 -1.72 0.00 0.00 179.24 178.60 1sks h ASP 10 N 0.31 0.00 0.03 6.45 3.32 -2.00 -3.11 116.42 121.41 1sks h ASP 10 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1sks h ASP 10 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sks h ASP 10 CO -0.27 0.04 -0.37 -1.54 -1.72 0.00 0.00 179.24 175.38 1sks n SER 11 N -3.13 1.95 0.27 6.45 3.41 -1.04 -4.56 113.62 116.97 1sks n SER 11 Ca 0.02 -1.46 -0.16 0.00 -0.26 0.00 0.00 58.87 57.00 1sks n SER 11 Cb 0.40 0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1sks n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1sks h PHE 12 N 2.49 -0.82 -0.52 7.33 3.04 -1.34 -0.37 116.94 126.74 1sks h PHE 12 Ca 0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1sks h PHE 12 Cb 0.73 0.30 -0.11 0.00 2.56 0.00 0.00 35.95 39.44 1sks h PHE 12 CO 0.00 -0.47 -0.26 0.22 -2.02 0.00 0.00 178.31 175.78 1sks h ASP 13 N -0.74 -0.91 0.51 0.41 1.82 -1.80 0.22 116.42 115.93 1sks h ASP 13 Ca -0.05 0.20 -0.25 0.00 -0.39 0.00 0.00 57.03 56.54 1sks h ASP 13 Cb 0.62 0.48 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1sks h ASP 13 CO 0.03 -0.27 -1.09 0.71 -1.61 0.00 0.00 179.24 177.00 1sks h THR 14 N -0.14 1.46 0.00 2.25 1.35 -1.86 -1.65 112.91 114.32 1sks h THR 14 Ca 0.23 -2.78 -0.11 0.00 -0.55 0.00 0.00 66.41 63.20 1sks h THR 14 Cb 0.51 2.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 1sks h THR 14 CO -0.60 0.82 -0.53 0.44 -0.25 0.00 0.00 175.52 175.39 1sks h ASP 15 N 0.14 0.00 0.00 5.36 3.32 -0.71 -3.34 116.42 121.19 1sks h ASP 15 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1sks h ASP 15 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1sks h ASP 15 CO 0.18 0.53 -0.21 0.52 -1.72 0.00 0.00 179.24 178.55 1sks n VAL 16 N -3.62 1.28 0.29 -1.35 0.31 0.04 -4.52 118.33 110.76 1sks n VAL 16 Ca -0.00 0.35 0.15 0.00 -0.01 0.00 0.00 64.34 64.83 1sks n VAL 16 Cb 0.60 -1.74 0.88 0.00 -0.91 0.00 0.00 33.84 32.67 1sks n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sks h LEU 17 N -0.21 0.00 -4.18 7.52 3.38 -1.36 -2.91 115.31 117.55 1sks h LEU 17 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1sks h LEU 17 Cb 0.21 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.54 1sks h LEU 17 CO 0.00 0.04 -0.90 0.29 0.09 0.00 0.00 178.44 177.96 1sks n LYS 18 N -3.72 3.02 0.00 1.13 5.02 -0.79 -3.42 118.16 119.40 1sks n LYS 18 Ca -0.03 -3.95 0.11 0.00 -2.02 0.00 0.00 58.31 52.43 1sks n LYS 18 Cb 0.13 -2.06 0.05 0.00 -0.02 0.00 0.00 35.03 33.13 1sks n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sks n ALA 19 N -0.68 3.24 -2.39 7.82 0.00 -1.10 -4.88 120.51 122.52 1sks n ALA 19 Ca 0.33 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1sks n ALA 19 Cb 0.92 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.56 1sks n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sks n ASP 20 N 0.31 -4.01 0.00 0.00 9.92 -1.26 -4.91 116.55 116.61 1sks n ASP 20 Ca 0.11 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1sks n ASP 20 Cb 0.50 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 1sks n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sks n GLY 21 N 0.61 3.15 3.71 0.44 0.00 -1.26 -5.00 105.19 106.83 1sks n GLY 21 Ca -0.02 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1sks n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks s ALA 22 N -2.00 3.30 -0.09 4.61 0.00 -1.26 -4.13 121.76 122.20 1sks s ALA 22 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1sks s ALA 22 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1sks s ALA 22 CO 0.00 -0.35 -0.10 0.42 0.00 0.00 0.00 175.76 175.73 1sks s ILE 23 N 1.03 1.08 -0.40 0.00 -1.09 0.65 -2.92 121.20 119.55 1sks s ILE 23 Ca 0.56 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 58.45 1sks s ILE 23 Cb -0.26 -1.04 0.02 0.00 -1.58 0.00 0.00 42.46 39.60 1sks s ILE 23 CO 0.29 0.36 0.28 -0.22 -1.23 0.00 0.00 174.94 174.42 1sks s LEU 24 N 1.12 5.04 -0.08 2.97 2.96 0.54 0.39 118.68 131.62 1sks s LEU 24 Ca -0.06 -0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 52.82 1sks s LEU 24 Cb -0.14 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1sks s LEU 24 CO -0.02 -0.44 0.24 -0.69 -1.32 0.00 0.00 176.35 174.12 1sks s VAL 25 N 1.65 5.34 -0.25 1.68 1.01 0.33 -0.75 120.40 129.40 1sks s VAL 25 Ca 0.04 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1sks s VAL 25 Cb -0.19 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1sks s VAL 25 CO 0.09 0.60 -0.06 -0.62 0.00 0.00 0.00 175.10 175.11 1sks s ASP 26 N -1.02 4.11 -0.24 3.32 2.15 0.36 -1.03 116.67 124.32 1sks s ASP 26 Ca 0.18 -1.33 -0.23 0.00 0.43 0.00 0.00 52.55 51.60 1sks s ASP 26 Cb -0.14 -1.32 -0.01 0.00 -0.30 0.00 0.00 42.92 41.15 1sks s ASP 26 CO 0.07 -0.24 0.74 -0.36 -0.17 0.00 0.00 175.17 175.22 1sks s PHE 27 N 1.27 3.31 0.32 -5.34 0.40 -0.38 -1.21 117.98 116.35 1sks s PHE 27 Ca -0.05 1.01 0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1sks s PHE 27 Cb -0.19 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 1sks s PHE 27 CO -0.06 -0.35 0.19 1.67 0.70 0.00 0.00 175.22 177.36 1sks s TRP 28 N 2.62 1.64 -0.15 0.36 1.48 -0.89 -2.54 118.94 121.45 1sks s TRP 28 Ca 0.31 -1.44 -0.13 0.00 -1.06 0.00 0.00 56.10 53.78 1sks s TRP 28 Cb -0.15 -0.84 0.04 0.00 -1.16 0.00 0.00 33.47 31.36 1sks s TRP 28 CO 0.08 -0.60 0.40 0.00 -4.06 0.00 0.00 176.95 172.77 1sks s ALA 29 N -3.54 -0.99 0.58 2.67 0.00 -1.26 -1.15 121.76 118.07 1sks s ALA 29 Ca 0.36 1.16 0.28 0.00 0.00 0.00 0.00 51.96 53.75 1sks s ALA 29 Cb 0.04 -0.68 1.59 0.00 0.00 0.00 0.00 23.12 24.08 1sks s ALA 29 CO 0.20 -0.19 2.06 1.49 0.00 0.00 0.00 175.76 179.31 1sks h GLU 30 N 5.67 0.00 -0.64 0.00 4.57 -2.01 -2.47 114.58 119.70 1sks h GLU 30 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1sks h GLU 30 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1sks h GLU 30 CO 0.26 0.00 0.00 -2.67 -1.18 0.00 0.00 179.01 175.42 1sks n TRP 31 N -3.86 1.34 -4.12 0.92 4.27 -1.26 -4.90 117.44 109.83 1sks n TRP 31 Ca 0.03 -0.51 -0.35 0.00 -3.89 0.00 0.00 57.50 52.78 1sks n TRP 31 Cb 0.39 -0.27 -0.12 0.00 -1.36 0.00 0.00 31.31 29.95 1sks n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sks h GLY 33 N 7.22 -1.13 0.30 0.00 0.00 -1.90 -2.97 103.07 104.59 1sks h GLY 33 Ca -0.35 0.42 0.17 0.00 0.00 0.00 0.00 47.33 47.57 1sks h GLY 33 CO 0.63 -0.41 0.61 -2.55 0.00 0.00 0.00 176.54 174.81 1sks h PRO 34 N -1.15 0.69 -0.08 4.80 0.11 -1.96 -2.06 132.00 132.35 1sks h PRO 34 Ca -0.11 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.97 1sks h PRO 34 Cb 0.84 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1sks h PRO 34 CO 0.18 0.46 -0.02 0.00 -0.21 0.00 0.00 178.00 178.40 1sks h LYS 36 N -0.01 0.00 -0.06 0.00 3.64 -1.22 -2.18 116.57 116.74 1sks h LYS 36 Ca 0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1sks h LYS 36 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1sks h LYS 36 CO -0.09 0.00 -0.17 0.52 -2.27 0.00 0.00 179.45 177.44 1sks h MET 37 N 0.00 0.22 0.00 1.90 2.86 -0.65 -3.31 114.93 115.94 1sks h MET 37 Ca 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1sks h MET 37 Cb 0.18 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sks h MET 37 CO 0.00 0.78 -0.18 0.97 1.06 0.00 0.00 176.91 179.54 1sks h ILE 38 N -0.31 0.00 -0.30 -1.22 2.10 -0.95 -3.37 117.51 113.46 1sks h ILE 38 Ca -0.01 -0.54 0.07 0.00 1.08 0.00 0.00 64.86 65.46 1sks h ILE 38 Cb 0.80 1.43 -0.08 0.00 -1.09 0.00 0.00 36.82 37.88 1sks h ILE 38 CO 0.04 0.00 -0.25 0.00 -1.08 0.00 0.00 178.15 176.86 1sks h ALA 39 N 2.46 -0.10 -0.94 0.18 0.00 -1.50 -1.04 119.26 118.33 1sks h ALA 39 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1sks h ALA 39 Cb 0.77 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1sks h ALA 39 CO 0.00 -0.66 0.60 -1.35 0.00 0.00 0.00 179.25 177.84 1sks h PRO 40 N -0.23 1.10 0.34 0.00 0.11 -1.77 -2.73 132.00 128.82 1sks h PRO 40 Ca 0.16 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1sks h PRO 40 Cb 0.47 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1sks h PRO 40 CO -0.44 0.73 -0.42 0.82 -0.21 0.00 0.00 178.00 178.49 1sks h ILE 41 N 1.13 0.16 -1.00 4.15 1.08 -1.45 -2.56 117.51 119.03 1sks h ILE 41 Ca 0.39 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 65.08 1sks h ILE 41 Cb 0.08 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 33.89 1sks h ILE 41 CO -0.14 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 177.86 1sks h LEU 42 N -0.80 0.67 -0.68 1.44 3.38 -0.98 0.10 115.31 118.45 1sks h LEU 42 Ca -0.02 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1sks h LEU 42 Cb 0.73 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1sks h LEU 42 CO -0.11 0.19 0.32 0.44 0.09 0.00 0.00 178.44 179.36 1sks h ASP 43 N 0.62 0.39 -0.38 -0.43 3.32 -1.20 -0.72 116.42 118.03 1sks h ASP 43 Ca 0.59 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.63 1sks h ASP 43 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1sks h ASP 43 CO -0.37 0.22 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.99 1sks h GLU 44 N 0.54 0.71 -0.39 3.56 5.08 -0.73 -2.72 114.58 120.63 1sks h GLU 44 Ca 0.34 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1sks h GLU 44 Cb 0.37 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1sks h GLU 44 CO -0.28 0.84 0.16 0.82 -1.00 0.00 0.00 179.01 179.55 1sks h ILE 45 N 0.52 1.19 -0.36 3.13 1.08 -0.73 -0.52 117.51 121.82 1sks h ILE 45 Ca 0.10 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1sks h ILE 45 Cb 0.55 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1sks h ILE 45 CO 0.03 0.21 0.14 0.00 -0.69 0.00 0.00 178.15 177.84 1sks h ALA 46 N 1.01 1.58 -0.01 1.87 0.00 -1.18 0.40 119.26 122.93 1sks h ALA 46 Ca 0.13 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1sks h ALA 46 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1sks h ALA 46 CO -0.01 0.33 -0.72 0.22 0.00 0.00 0.00 179.25 179.07 1sks h ASP 47 N 0.50 0.05 0.16 0.00 3.58 -1.11 -3.07 116.42 116.53 1sks h ASP 47 Ca 0.13 -0.03 -0.33 0.00 0.42 0.00 0.00 57.03 57.21 1sks h ASP 47 Cb 0.11 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1sks h ASP 47 CO -0.01 0.75 -1.68 -0.33 -2.88 0.00 0.00 179.24 175.09 1sks h GLU 48 N 0.03 0.34 -0.73 0.28 5.08 -0.47 -3.35 114.58 115.74 1sks h GLU 48 Ca -0.01 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1sks h GLU 48 Cb 1.28 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1sks h GLU 48 CO 0.10 1.28 0.00 0.66 -1.00 0.00 0.00 179.01 180.04 1sks n TYR 49 N -3.68 0.72 -1.65 4.33 4.02 0.07 -4.93 117.16 116.04 1sks n TYR 49 Ca -0.26 -0.26 -0.48 0.00 -0.01 0.00 0.00 57.90 56.89 1sks n TYR 49 Cb 1.02 -0.21 -0.05 0.00 -0.02 0.00 0.00 39.34 40.08 1sks n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1sks n GLN 50 N 0.26 1.87 0.00 -0.72 -0.06 -1.16 -0.06 117.38 117.50 1sks n GLN 50 Ca 0.10 0.67 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1sks n GLN 50 Cb 0.54 -2.42 0.00 0.00 -4.06 0.00 0.00 30.24 24.31 1sks n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sks n GLY 51 N 3.34 2.77 0.10 1.69 0.00 -1.26 -4.71 105.19 107.12 1sks n GLY 51 Ca 0.18 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1sks n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sks h LYS 52 N 0.00 0.00 -3.23 1.61 5.09 -1.40 -3.49 116.57 115.15 1sks h LYS 52 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.68 1sks h LYS 52 Cb 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 32.18 1sks h LYS 52 CO 0.00 0.26 -0.09 -1.17 -2.09 0.00 0.00 179.45 176.36 1sks s LEU 53 N -5.75 0.41 -0.10 7.07 2.96 0.91 -4.73 118.68 119.45 1sks s LEU 53 Ca -0.02 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1sks s LEU 53 Cb 0.09 1.79 0.01 0.00 0.50 0.00 0.00 46.19 48.58 1sks s LEU 53 CO 0.81 -0.77 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.04 1sks s THR 54 N -3.21 1.39 -0.14 3.68 2.01 -1.15 -4.37 115.64 113.86 1sks s THR 54 Ca -0.01 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1sks s THR 54 Cb 0.01 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1sks s THR 54 CO -0.08 0.42 0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 1sks s VAL 55 N 0.95 5.35 0.00 3.82 1.01 -1.26 -0.34 120.40 129.93 1sks s VAL 55 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1sks s VAL 55 Cb -0.15 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1sks s VAL 55 CO -0.01 0.57 -0.01 0.00 0.00 0.00 0.00 175.10 175.65 1sks s ALA 56 N -0.60 0.11 0.04 5.51 0.00 0.07 -1.65 121.76 125.24 1sks s ALA 56 Ca 0.12 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1sks s ALA 56 Cb -0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1sks s ALA 56 CO 0.02 0.00 -0.11 0.15 0.00 0.00 0.00 175.76 175.82 1sks s LYS 57 N -0.23 2.30 -0.20 0.00 1.02 0.00 -0.49 119.74 122.14 1sks s LYS 57 Ca -0.02 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 1sks s LYS 57 Cb -0.02 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.00 1sks s LYS 57 CO -0.00 0.56 0.03 -1.17 -0.92 0.00 0.00 175.35 173.85 1sks s LEU 58 N -1.64 1.34 -0.29 3.17 2.96 -0.35 -1.48 118.68 122.39 1sks s LEU 58 Ca 0.18 -0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 52.91 1sks s LEU 58 Cb -0.11 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 1sks s LEU 58 CO 0.09 -0.30 1.43 0.21 -1.32 0.00 0.00 176.35 176.45 1sks s ASN 59 N 1.81 6.50 0.00 3.68 3.84 -1.26 -2.10 114.94 127.41 1sks s ASN 59 Ca -0.01 1.28 0.17 0.00 0.21 0.00 0.00 52.86 54.51 1sks s ASN 59 Cb -0.17 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.84 1sks s ASN 59 CO -0.08 -1.21 1.50 2.30 -2.79 0.00 0.00 177.10 176.82 1sks n ILE 60 N 6.45 0.51 -0.01 -5.21 -5.35 -0.30 -2.04 119.36 113.41 1sks n ILE 60 Ca 0.17 0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1sks n ILE 60 Cb 0.46 -0.85 -0.14 0.00 -1.74 0.00 0.00 39.64 37.38 1sks n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1sks h ASP 61 N 0.00 0.08 1.04 7.28 3.32 -1.91 -3.20 116.42 123.03 1sks h ASP 61 Ca 0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1sks h ASP 61 Cb 0.16 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1sks h ASP 61 CO 0.00 1.15 -0.96 1.56 -1.72 0.00 0.00 179.24 179.27 1sks h GLN 62 N 0.01 0.00 -2.19 3.56 4.20 -1.93 -3.39 115.11 115.37 1sks h GLN 62 Ca -0.30 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.83 1sks h GLN 62 Cb 2.01 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 29.40 1sks h GLN 62 CO 0.08 0.02 -0.92 0.09 -0.67 0.00 0.00 178.83 177.43 1sks n ASN 63 N -2.72 1.15 0.08 1.46 3.02 -0.86 -4.89 115.26 112.50 1sks n ASN 63 Ca -0.00 -2.86 0.11 0.00 -0.03 0.00 0.00 54.58 51.80 1sks n ASN 63 Cb 0.56 -0.64 0.44 0.00 -0.61 0.00 0.00 39.78 39.53 1sks n ASN 63 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1sks n PRO 64 N 1.55 0.14 0.00 3.52 -0.04 -1.21 -3.89 135.00 135.07 1sks n PRO 64 Ca 0.25 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1sks n PRO 64 Cb 0.48 -1.73 0.45 0.00 -0.04 0.00 0.00 33.50 32.65 1sks n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sks n GLY 65 N 0.32 -1.06 0.13 0.55 0.00 -1.26 -4.43 105.19 99.43 1sks n GLY 65 Ca 0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1sks n GLY 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sks n THR 66 N -1.16 1.56 -0.24 2.61 -1.04 -1.25 -4.54 114.28 110.22 1sks n THR 66 Ca 0.10 -0.36 0.04 0.00 -2.04 0.00 0.00 64.05 61.79 1sks n THR 66 Cb 0.32 -1.82 0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1sks n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sks h ALA 67 N -0.50 0.98 -0.93 2.41 0.00 -1.79 -2.14 119.26 117.28 1sks h ALA 67 Ca -0.54 0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1sks h ALA 67 Cb 1.65 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 1sks h ALA 67 CO -0.22 -0.24 0.59 -1.35 0.00 0.00 0.00 179.25 178.03 1sks h PRO 68 N 0.40 0.70 0.00 0.00 0.11 -1.80 -0.88 132.00 130.52 1sks h PRO 68 Ca 0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1sks h PRO 68 Cb 0.60 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1sks h PRO 68 CO -0.41 0.46 0.00 0.87 -0.21 0.00 0.00 178.00 178.72 1sks h LYS 69 N 0.72 0.00 -0.18 1.05 1.57 -1.62 -1.67 116.57 116.44 1sks h LYS 69 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1sks h LYS 69 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1sks h LYS 69 CO -0.24 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.30 1sks n TYR 70 N -2.95 0.23 -3.24 -1.35 4.01 -0.36 -5.02 117.16 108.49 1sks n TYR 70 Ca -0.03 -0.35 -0.15 0.00 -0.16 0.00 0.00 57.90 57.21 1sks n TYR 70 Cb 0.07 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1sks n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sks n GLY 71 N 0.30 -0.41 3.72 2.72 0.00 -0.63 -4.95 105.19 105.94 1sks n GLY 71 Ca 0.07 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1sks n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sks s ILE 72 N -3.33 3.01 0.00 -0.61 -1.09 -1.22 -4.86 121.20 113.11 1sks s ILE 72 Ca 0.08 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1sks s ILE 72 Cb -0.01 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1sks s ILE 72 CO 0.66 0.08 0.00 -1.14 -1.23 0.00 0.00 174.94 173.30 1sks n ARG 73 N 3.50 5.12 -3.54 2.79 0.00 -1.26 -4.97 116.66 118.29 1sks n ARG 73 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.82 1sks n ARG 73 Cb 0.41 -0.49 -0.04 0.00 0.00 0.00 0.00 32.46 32.34 1sks n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1sks s GLY 74 N -0.96 -0.46 0.07 5.14 0.00 -1.26 -5.18 107.32 104.68 1sks s GLY 74 Ca 0.00 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.29 1sks s GLY 74 CO 0.00 0.22 -0.11 -0.26 0.00 0.00 0.00 173.10 172.96 1sks s ILE 75 N -2.87 0.89 0.17 0.90 -4.36 -1.26 -4.04 121.20 110.63 1sks s ILE 75 Ca -0.03 -1.37 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 1sks s ILE 75 Cb -0.00 -1.06 -0.08 0.00 1.25 0.00 0.00 42.46 42.57 1sks s ILE 75 CO -0.05 -0.40 1.12 -2.16 0.24 0.00 0.00 174.94 173.70 1sks s PRO 76 N -2.10 4.56 -0.12 0.37 0.04 -1.26 -4.71 135.00 131.79 1sks s PRO 76 Ca -0.01 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 1sks s PRO 76 Cb -0.07 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1sks s PRO 76 CO 0.01 0.03 -0.04 0.99 0.04 0.00 0.00 177.00 178.03 1sks s THR 77 N -0.15 3.90 -0.20 1.26 2.01 -1.05 -1.66 115.64 119.74 1sks s THR 77 Ca 0.50 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1sks s THR 77 Cb -0.30 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.54 1sks s THR 77 CO 0.35 0.55 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.98 1sks s LEU 78 N -0.21 2.69 -0.14 4.42 1.43 0.22 -1.25 118.68 125.83 1sks s LEU 78 Ca 0.04 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1sks s LEU 78 Cb -0.13 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1sks s LEU 78 CO 0.02 0.00 -0.17 -0.76 0.23 0.00 0.00 176.35 175.67 1sks s LEU 79 N 1.33 2.41 -0.36 1.79 1.02 -0.20 -1.25 118.68 123.42 1sks s LEU 79 Ca 0.04 -0.48 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 1sks s LEU 79 Cb -0.14 -1.53 -0.00 0.00 0.02 0.00 0.00 46.19 44.53 1sks s LEU 79 CO -0.05 0.11 0.35 -0.22 0.02 0.00 0.00 176.35 176.56 1sks s LEU 80 N 0.65 4.58 -0.06 1.79 0.20 -0.08 -0.52 118.68 125.24 1sks s LEU 80 Ca -0.09 -0.39 -0.05 0.00 0.69 0.00 0.00 54.13 54.29 1sks s LEU 80 Cb -0.16 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.26 1sks s LEU 80 CO 0.02 -0.37 0.17 -0.36 -0.29 0.00 0.00 176.35 175.52 1sks s PHE 81 N 1.97 3.57 -0.27 5.38 0.40 0.16 0.02 117.98 129.21 1sks s PHE 81 Ca 0.10 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1sks s PHE 81 Cb -0.17 -1.88 0.15 0.00 0.51 0.00 0.00 43.02 41.63 1sks s PHE 81 CO 0.12 0.69 0.41 0.21 0.70 0.00 0.00 175.22 177.35 1sks s LYS 82 N -1.52 0.40 -0.19 0.44 2.47 -0.24 -0.25 119.74 120.85 1sks s LYS 82 Ca 0.22 0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 54.97 1sks s LYS 82 Cb -0.12 -0.31 0.00 0.00 -1.46 0.00 0.00 37.83 35.94 1sks s LYS 82 CO 0.12 -0.86 0.09 -1.71 0.16 0.00 0.00 175.35 173.15 1sks n ASN 83 N 5.36 -2.17 0.00 1.43 5.15 -1.26 -3.54 115.26 120.24 1sks n ASN 83 Ca -0.01 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1sks n ASN 83 Cb 0.50 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.69 1sks n ASN 83 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sks n GLY 84 N -0.81 0.37 3.28 8.20 0.00 -1.22 -5.00 105.19 110.01 1sks n GLY 84 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1sks n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sks s GLU 85 N -0.64 1.22 -0.38 1.61 -1.05 -1.23 -4.86 118.70 113.37 1sks s GLU 85 Ca 0.00 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.42 1sks s GLU 85 Cb 0.00 -1.46 0.02 0.00 -0.44 0.00 0.00 34.13 32.24 1sks s GLU 85 CO 0.00 0.35 1.20 0.08 0.95 0.00 0.00 175.26 177.84 1sks s VAL 86 N -1.05 4.23 -0.01 1.83 1.01 -1.26 -1.08 120.40 124.07 1sks s VAL 86 Ca 0.07 1.35 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 1sks s VAL 86 Cb -0.10 -4.38 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1sks s VAL 86 CO 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 175.10 174.50 1sks h ALA 87 N 9.12 -0.04 -2.04 5.51 0.00 -0.75 -3.49 119.26 127.57 1sks h ALA 87 Ca -0.24 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 1sks h ALA 87 Cb 1.08 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1sks h ALA 87 CO 1.07 -0.04 -0.70 0.00 0.00 0.00 0.00 179.25 179.58 1sks s ALA 88 N -2.96 2.69 -0.01 0.00 0.00 -1.20 -4.99 121.76 115.30 1sks s ALA 88 Ca -0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 51.96 49.94 1sks s ALA 88 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1sks s ALA 88 CO 0.00 0.08 0.10 -0.08 0.00 0.00 0.00 175.76 175.86 1sks s THR 89 N -2.72 0.06 -0.25 0.00 -1.32 -1.26 -0.90 115.64 109.25 1sks s THR 89 Ca 0.31 -0.52 -0.16 0.00 -1.21 0.00 0.00 61.69 60.10 1sks s THR 89 Cb 0.01 -0.32 0.07 0.00 -1.51 0.00 0.00 72.50 70.75 1sks s THR 89 CO 0.14 -0.29 0.63 -0.75 -2.21 0.00 0.00 174.62 172.15 1sks s LYS 90 N -0.96 0.66 -0.07 7.08 2.47 -0.38 -5.01 119.74 123.53 1sks s LYS 90 Ca -0.10 1.08 0.01 0.00 -1.56 0.00 0.00 55.97 55.40 1sks s LYS 90 Cb -0.06 0.16 -0.03 0.00 -1.46 0.00 0.00 37.83 36.44 1sks s LYS 90 CO 0.01 -0.14 -0.08 0.08 0.16 0.00 0.00 175.35 175.38 1sks s VAL 91 N 1.33 3.63 0.00 4.02 1.01 -1.26 -0.61 120.40 128.52 1sks s VAL 91 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1sks s VAL 91 Cb -0.06 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1sks s VAL 91 CO -0.14 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1sks n GLY 92 N 2.33 3.40 3.51 4.51 0.00 -0.67 -4.91 105.19 113.37 1sks n GLY 92 Ca -0.18 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1sks n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sks n ALA 93 N -1.05 2.80 -0.52 4.61 0.00 -1.26 -4.82 120.51 120.27 1sks n ALA 93 Ca 0.00 -3.42 -0.29 0.00 0.00 0.00 0.00 53.44 49.74 1sks n ALA 93 Cb 0.00 -3.54 0.25 0.00 0.00 0.00 0.00 19.45 16.15 1sks n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sks s LEU 94 N 7.21 0.99 0.28 0.00 1.43 -1.26 -4.92 118.68 122.40 1sks s LEU 94 Ca 0.61 1.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 1sks s LEU 94 Cb 0.03 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 1sks s LEU 94 CO 0.10 -4.18 0.35 -0.94 0.23 0.00 0.00 176.35 171.91 1sks s SER 95 N -2.48 5.94 0.42 2.29 1.04 -1.26 -4.82 113.70 114.84 1sks s SER 95 Ca 0.68 -0.13 0.21 0.00 0.48 0.00 0.00 55.95 57.19 1sks s SER 95 Cb -0.25 -1.49 1.17 0.00 0.10 0.00 0.00 66.02 65.55 1sks s SER 95 CO 0.64 -0.19 1.80 0.50 0.98 0.00 0.00 173.24 176.96 1sks h LYS 96 N 1.17 0.32 0.01 4.02 1.63 -1.96 -0.21 116.57 121.55 1sks h LYS 96 Ca -0.49 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1sks h LYS 96 Cb 1.24 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1sks h LYS 96 CO 0.58 0.21 -0.00 0.78 -3.45 0.00 0.00 179.45 177.58 1sks h GLY 97 N 0.33 -0.01 0.61 5.01 0.00 -1.99 -3.05 103.07 103.98 1sks h GLY 97 Ca 0.56 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.99 1sks h GLY 97 CO -0.23 -0.00 0.62 1.46 0.00 0.00 0.00 176.54 178.39 1sks h GLN 98 N -0.90 0.98 -0.44 4.80 4.20 -1.70 -1.54 115.11 120.51 1sks h GLN 98 Ca -0.00 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1sks h GLN 98 Cb 0.84 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1sks h GLN 98 CO 0.00 0.65 -0.29 1.25 -0.67 0.00 0.00 178.83 179.77 1sks h LEU 99 N 1.01 1.02 -1.10 1.46 6.46 -1.20 -2.24 115.31 120.72 1sks h LEU 99 Ca 0.46 -0.43 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1sks h LEU 99 Cb 0.39 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1sks h LEU 99 CO -0.21 1.22 0.61 0.50 -0.62 0.00 0.00 178.44 179.94 1sks h LYS 100 N 0.81 1.05 -0.24 1.25 3.64 -1.18 -1.41 116.57 120.48 1sks h LYS 100 Ca 0.09 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1sks h LYS 100 Cb 0.88 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1sks h LYS 100 CO 0.08 0.69 -0.54 0.93 -2.27 0.00 0.00 179.45 178.34 1sks h GLU 101 N 1.08 0.79 -0.65 1.90 5.08 -1.23 -2.79 114.58 118.76 1sks h GLU 101 Ca 0.41 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1sks h GLU 101 Cb 0.20 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1sks h GLU 101 CO -0.16 1.16 0.37 0.35 -1.00 0.00 0.00 179.01 179.73 1sks h PHE 102 N 0.53 0.69 0.32 4.33 3.57 -0.73 -2.04 116.94 123.62 1sks h PHE 102 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1sks h PHE 102 Cb 1.16 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1sks h PHE 102 CO 0.08 0.35 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.29 1sks h LEU 103 N 0.70 -0.37 -1.05 0.59 3.38 -1.32 -2.83 115.31 114.41 1sks h LEU 103 Ca 0.28 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.62 1sks h LEU 103 Cb 0.13 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.83 1sks h LEU 103 CO -0.16 -0.11 0.59 0.44 0.09 0.00 0.00 178.44 179.30 1sks h ASP 104 N -0.74 0.44 0.77 -0.43 5.19 -1.53 0.88 116.42 120.99 1sks h ASP 104 Ca -0.04 0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.47 1sks h ASP 104 Cb 0.33 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1sks h ASP 104 CO 0.07 -0.21 -0.47 0.00 -3.12 0.00 0.00 179.24 175.52 1sks h ALA 105 N 1.86 0.99 -0.01 3.45 0.00 -1.42 -3.25 119.26 120.87 1sks h ALA 105 Ca 0.77 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1sks h ALA 105 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1sks h ALA 105 CO -0.62 0.58 -0.39 0.09 0.00 0.00 0.00 179.25 178.92 1sks n ASN 106 N -3.63 1.19 -0.07 0.00 3.02 0.18 -5.10 115.26 110.85 1sks n ASN 106 Ca -0.01 -1.10 0.16 0.00 -0.03 0.00 0.00 54.58 53.61 1sks n ASN 106 Cb 0.55 0.64 0.89 0.00 -0.61 0.00 0.00 39.78 41.25 1sks n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82