#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hs2 s GLN 2 N 0.00 1.88 -0.30 -0.52 0.74 -1.26 -5.10 119.66 115.10 2hs2 s GLN 2 Ca 0.00 -1.61 -0.11 0.00 0.05 0.00 0.00 55.36 53.69 2hs2 s GLN 2 Cb 0.00 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 2hs2 s GLN 2 CO 0.00 -0.76 0.19 0.42 -0.55 0.00 0.00 175.29 174.59 2hs2 s ILE 3 N 1.01 5.16 0.87 -2.34 1.01 -1.26 -5.10 121.20 120.55 2hs2 s ILE 3 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 2hs2 s ILE 3 Cb -0.20 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 38.86 2hs2 s ILE 3 CO -0.06 0.17 1.15 0.42 0.00 0.00 0.00 174.94 176.61 2hs2 s THR 4 N 1.72 2.07 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.68 2hs2 s THR 4 Ca 0.06 0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.76 2hs2 s THR 4 Cb -0.16 -2.86 0.32 0.00 1.34 0.00 0.00 72.50 71.13 2hs2 s THR 4 CO 0.10 -0.03 1.17 0.18 -0.54 0.00 0.00 174.62 175.50 2hs2 n LEU 5 N -3.58 2.37 0.22 4.79 4.77 -1.26 -4.67 117.00 119.63 2hs2 n LEU 5 Ca 0.07 -3.26 0.07 0.00 -0.03 0.00 0.00 56.01 52.85 2hs2 n LEU 5 Cb 0.60 -0.44 0.50 0.00 -2.33 0.00 0.00 43.42 41.74 2hs2 n LEU 5 CO 0.57 0.91 0.84 -0.50 -1.33 0.00 0.00 177.39 177.87 2hs2 h TRP 6 N 0.32 0.00 -2.44 -1.77 4.06 -2.06 -3.43 115.95 110.63 2hs2 h TRP 6 Ca -0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 2hs2 h TRP 6 Cb 1.02 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 2hs2 h TRP 6 CO 0.24 0.25 -0.62 -1.59 -3.56 0.00 0.00 178.44 173.15 2hs2 s LYS 7 N -4.23 1.72 0.25 0.49 -2.85 -1.26 -5.11 119.74 108.74 2hs2 s LYS 7 Ca -0.03 -1.94 -0.31 0.00 -1.00 0.00 0.00 55.97 52.70 2hs2 s LYS 7 Cb 0.14 -1.18 -0.13 0.00 -2.06 0.00 0.00 37.83 34.60 2hs2 s LYS 7 CO 0.67 -0.08 1.51 0.54 0.10 0.00 0.00 175.35 178.09 2hs2 n ARG 8 N -0.74 2.35 -2.28 1.78 1.74 -1.26 -4.87 116.66 113.37 2hs2 n ARG 8 Ca -0.04 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 2hs2 n ARG 8 Cb 0.66 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 2hs2 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2hs2 n PRO 9 N 2.29 3.14 -3.02 5.56 -0.04 -1.26 -4.96 135.00 136.72 2hs2 n PRO 9 Ca 0.11 -3.13 -0.39 0.00 -0.04 0.00 0.00 63.50 60.05 2hs2 n PRO 9 Cb 0.33 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 2hs2 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hs2 s LEU 10 N 2.64 4.59 0.10 1.53 1.43 -1.26 -1.15 118.68 126.55 2hs2 s LEU 10 Ca 0.48 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2hs2 s LEU 10 Cb 0.08 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2hs2 s LEU 10 CO -0.00 0.22 -0.07 0.68 0.23 0.00 0.00 176.35 177.40 2hs2 s VAL 11 N -1.13 0.76 0.22 -1.59 -7.23 -0.09 -4.96 120.40 106.37 2hs2 s VAL 11 Ca 0.35 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 2hs2 s VAL 11 Cb -0.23 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 34.96 2hs2 s VAL 11 CO 0.25 -0.83 1.33 -0.89 -0.31 0.00 0.00 175.10 174.65 2hs2 s THR 12 N -3.48 3.10 0.05 5.32 2.01 -1.26 -1.78 115.64 119.60 2hs2 s THR 12 Ca 0.12 0.92 0.06 0.00 0.31 0.00 0.00 61.69 63.10 2hs2 s THR 12 Cb 0.04 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2hs2 s THR 12 CO -0.04 0.15 -0.18 0.27 -0.69 0.00 0.00 174.62 174.13 2hs2 s ILE 13 N -0.00 1.44 -0.06 1.82 -4.36 -0.17 -0.67 121.20 119.20 2hs2 s ILE 13 Ca 0.56 -1.20 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 2hs2 s ILE 13 Cb -0.37 -1.29 0.02 0.00 1.25 0.00 0.00 42.46 42.07 2hs2 s ILE 13 CO 0.40 0.05 -0.06 -0.75 0.24 0.00 0.00 174.94 174.82 2hs2 s LYS 14 N -1.34 1.05 -0.12 0.37 2.20 -0.21 -0.70 119.74 120.98 2hs2 s LYS 14 Ca 0.04 -0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 2hs2 s LYS 14 Cb -0.09 -1.03 0.03 0.00 -1.51 0.00 0.00 37.83 35.23 2hs2 s LYS 14 CO 0.02 -0.09 -0.07 0.42 -0.36 0.00 0.00 175.35 175.27 2hs2 s ILE 15 N 1.03 1.01 0.00 5.43 1.01 -0.56 -1.14 121.20 127.98 2hs2 s ILE 15 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2hs2 s ILE 15 Cb -0.14 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2hs2 s ILE 15 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2hs2 n GLY 16 N 4.94 3.34 0.78 6.18 0.00 -1.26 -1.47 105.19 117.69 2hs2 n GLY 16 Ca -0.12 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.77 2hs2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hs2 n GLY 17 N 0.00 0.91 3.56 -0.02 0.00 -1.26 -4.89 105.19 103.49 2hs2 n GLY 17 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 2hs2 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hs2 s GLN 18 N -1.54 3.89 -0.21 1.61 -0.21 -0.54 -5.06 119.66 117.59 2hs2 s GLN 18 Ca 0.32 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 55.15 2hs2 s GLN 18 Cb 0.17 -3.55 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2hs2 s GLN 18 CO 0.24 -0.14 0.60 -0.51 -2.12 0.00 0.00 175.29 173.36 2hs2 s LEU 19 N 1.59 4.13 0.00 2.90 1.43 -1.26 -1.50 118.68 125.96 2hs2 s LEU 19 Ca 0.07 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 2hs2 s LEU 19 Cb -0.15 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2hs2 s LEU 19 CO 0.08 -0.27 0.12 0.29 0.23 0.00 0.00 176.35 176.80 2hs2 n LYS 20 N 5.11 0.55 -4.22 1.70 5.02 0.12 -5.00 118.16 121.45 2hs2 n LYS 20 Ca -0.02 -2.10 -0.14 0.00 -2.02 0.00 0.00 58.31 54.03 2hs2 n LYS 20 Cb 0.50 1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 36.75 2hs2 n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2hs2 s GLU 21 N -2.91 0.97 0.07 1.97 -1.05 -1.26 -1.00 118.70 115.48 2hs2 s GLU 21 Ca 0.17 -1.36 -0.16 0.00 -0.15 0.00 0.00 54.97 53.47 2hs2 s GLU 21 Cb 0.01 -0.53 0.03 0.00 -0.44 0.00 0.00 34.13 33.20 2hs2 s GLU 21 CO 0.12 0.06 0.37 0.00 0.95 0.00 0.00 175.26 176.76 2hs2 s ALA 22 N -3.14 -0.87 -0.15 -0.84 0.00 -0.74 -4.65 121.76 111.37 2hs2 s ALA 22 Ca 0.13 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 2hs2 s ALA 22 Cb 0.02 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2hs2 s ALA 22 CO -0.01 -0.51 0.72 -1.17 0.00 0.00 0.00 175.76 174.79 2hs2 s LEU 23 N -2.32 4.20 -0.38 0.00 2.96 0.12 -0.91 118.68 122.35 2hs2 s LEU 23 Ca -0.02 1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 54.65 2hs2 s LEU 23 Cb 0.00 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.64 2hs2 s LEU 23 CO -0.06 -0.27 1.45 -0.76 -1.32 0.00 0.00 176.35 175.39 2hs2 s LEU 24 N 1.69 3.64 -0.38 -0.68 1.43 -0.30 -0.57 118.68 123.49 2hs2 s LEU 24 Ca 0.34 0.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 2hs2 s LEU 24 Cb -0.17 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2hs2 s LEU 24 CO 0.13 -1.40 0.12 -0.62 0.23 0.00 0.00 176.35 174.80 2hs2 s ASP 25 N 4.03 4.49 0.61 2.29 -1.08 -0.36 -4.79 116.67 121.85 2hs2 s ASP 25 Ca 0.63 -2.31 0.39 0.00 -0.52 0.00 0.00 52.55 50.74 2hs2 s ASP 25 Cb -0.16 -1.49 1.91 0.00 -1.46 0.00 0.00 42.92 41.73 2hs2 s ASP 25 CO 0.31 -0.34 2.18 0.71 0.52 0.00 0.00 175.17 178.55 2hs2 h THR 26 N 6.25 0.00 -0.02 1.71 1.35 -1.93 -2.21 112.91 118.05 2hs2 h THR 26 Ca -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2hs2 h THR 26 Cb 0.98 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2hs2 h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2hs2 n GLY 27 N -0.55 -0.52 3.52 5.82 0.00 -1.26 -4.83 105.19 107.38 2hs2 n GLY 27 Ca -0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2hs2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hs2 s ALA 28 N -1.98 3.25 0.25 4.61 0.00 -0.83 -4.99 121.76 122.08 2hs2 s ALA 28 Ca 0.40 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2hs2 s ALA 28 Cb 0.20 -2.00 0.30 0.00 0.00 0.00 0.00 23.12 21.62 2hs2 s ALA 28 CO 0.33 -0.20 1.63 -0.44 0.00 0.00 0.00 175.76 177.07 2hs2 h ASP 29 N 7.58 0.45 -3.93 0.00 3.32 -1.88 0.32 116.42 122.28 2hs2 h ASP 29 Ca -0.37 -0.20 -0.54 0.00 0.02 0.00 0.00 57.03 55.94 2hs2 h ASP 29 Cb 1.18 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.40 2hs2 h ASP 29 CO 0.62 0.82 -0.81 -1.81 -1.72 0.00 0.00 179.24 176.35 2hs2 s ASP 30 N -6.87 2.57 -0.13 6.45 1.01 -1.26 -2.66 116.67 115.78 2hs2 s ASP 30 Ca -0.06 -0.76 -0.20 0.00 0.71 0.00 0.00 52.55 52.24 2hs2 s ASP 30 Cb 0.13 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 2hs2 s ASP 30 CO 0.80 0.01 0.56 -0.89 0.21 0.00 0.00 175.17 175.87 2hs2 s THR 31 N -1.54 5.11 -0.03 -1.27 2.01 -1.26 -3.58 115.64 115.08 2hs2 s THR 31 Ca 0.10 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.22 2hs2 s THR 31 Cb -0.08 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2hs2 s THR 31 CO 0.05 0.25 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.54 2hs2 s VAL 32 N 1.03 0.23 0.20 3.82 1.01 -0.57 -1.45 120.40 124.67 2hs2 s VAL 32 Ca 0.29 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.40 2hs2 s VAL 32 Cb -0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2hs2 s VAL 32 CO 0.12 0.16 -0.10 0.27 0.00 0.00 0.00 175.10 175.55 2hs2 s ILE 33 N 1.11 1.49 0.09 2.22 -4.36 0.09 -0.83 121.20 121.00 2hs2 s ILE 33 Ca -0.09 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.20 2hs2 s ILE 33 Cb -0.14 -2.08 -0.23 0.00 1.25 0.00 0.00 42.46 41.26 2hs2 s ILE 33 CO -0.02 -0.57 1.18 -0.33 0.24 0.00 0.00 174.94 175.45 2hs2 h GLU 34 N 2.57 0.08 -2.43 0.37 5.08 -1.87 -1.39 114.58 117.00 2hs2 h GLU 34 Ca -0.38 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 2hs2 h GLU 34 Cb 1.21 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 2hs2 h GLU 34 CO 0.63 1.03 0.06 -1.83 -1.00 0.00 0.00 179.01 177.90 2hs2 s GLU 35 N -2.68 0.98 0.00 2.33 4.04 -1.26 -4.45 118.70 117.65 2hs2 s GLU 35 Ca -0.01 0.02 0.02 0.00 0.04 0.00 0.00 54.97 55.04 2hs2 s GLU 35 Cb 0.09 0.45 -0.01 0.00 0.02 0.00 0.00 34.13 34.69 2hs2 s GLU 35 CO 0.84 -0.32 -0.05 1.41 -1.84 0.00 0.00 175.26 175.30 2hs2 s MET 36 N -1.60 0.42 -0.00 -4.83 1.75 -1.26 -5.09 119.30 108.69 2hs2 s MET 36 Ca -0.10 -0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 53.80 2hs2 s MET 36 Cb -0.01 -0.39 -0.04 0.00 2.84 0.00 0.00 34.83 37.23 2hs2 s MET 36 CO 0.05 0.10 1.20 0.45 -0.65 0.00 0.00 175.02 176.18 2hs2 s SER 37 N -0.26 7.06 -1.09 1.11 0.15 -1.26 -4.17 113.70 115.23 2hs2 s SER 37 Ca 0.01 1.91 -0.31 0.00 0.70 0.00 0.00 55.95 58.26 2hs2 s SER 37 Cb -0.03 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2hs2 s SER 37 CO -0.00 -0.53 0.61 0.18 1.20 0.00 0.00 173.24 174.70 2hs2 n LEU 38 N 4.64 -0.15 -0.65 3.45 4.77 -1.26 -4.87 117.00 122.94 2hs2 n LEU 38 Ca 0.10 -1.18 0.12 0.00 -0.03 0.00 0.00 56.01 55.02 2hs2 n LEU 38 Cb 0.46 -1.43 0.38 0.00 -2.33 0.00 0.00 43.42 40.50 2hs2 n LEU 38 CO 0.55 0.75 0.78 -0.81 -1.33 0.00 0.00 177.39 177.33 2hs2 n PRO 39 N -4.63 1.88 0.00 3.23 -0.04 -1.26 -5.06 135.00 129.12 2hs2 n PRO 39 Ca -0.11 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2hs2 n PRO 39 Cb 0.51 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2hs2 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hs2 n GLY 40 N 1.22 -1.59 3.79 0.55 0.00 -1.26 -4.91 105.19 102.99 2hs2 n GLY 40 Ca 0.17 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 2hs2 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hs2 s ARG 41 N 0.00 4.07 0.42 1.61 1.70 -1.26 -5.06 118.95 120.43 2hs2 s ARG 41 Ca 0.00 1.37 0.06 0.00 -0.47 0.00 0.00 55.73 56.70 2hs2 s ARG 41 Cb 0.00 -2.33 -0.07 0.00 -0.57 0.00 0.00 34.95 31.98 2hs2 s ARG 41 CO 0.00 -0.20 0.02 1.67 -1.08 0.00 0.00 175.30 175.72 2hs2 s TRP 42 N -1.87 2.46 -0.11 5.89 -2.14 -1.26 -4.94 118.94 116.97 2hs2 s TRP 42 Ca 0.61 -0.69 -0.02 0.00 2.66 0.00 0.00 56.10 58.67 2hs2 s TRP 42 Cb -0.17 -1.78 -0.03 0.00 -3.10 0.00 0.00 33.47 28.39 2hs2 s TRP 42 CO 0.22 0.40 -0.04 0.21 -2.66 0.00 0.00 176.95 175.08 2hs2 s LYS 43 N -3.75 3.19 0.36 3.25 2.20 -0.73 -4.89 119.74 119.38 2hs2 s LYS 43 Ca 0.32 -0.51 -0.26 0.00 -0.36 0.00 0.00 55.97 55.16 2hs2 s LYS 43 Cb 0.09 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.55 2hs2 s LYS 43 CO 0.17 0.49 1.09 -1.25 -0.36 0.00 0.00 175.35 175.49 2hs2 s PRO 44 N -0.31 4.29 0.06 4.03 0.04 -1.26 -0.96 135.00 140.89 2hs2 s PRO 44 Ca 0.05 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 2hs2 s PRO 44 Cb -0.12 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2hs2 s PRO 44 CO 0.02 -0.07 0.31 0.21 0.04 0.00 0.00 177.00 177.51 2hs2 s LYS 45 N -2.11 0.84 -0.00 4.56 2.20 -1.05 -4.89 119.74 119.30 2hs2 s LYS 45 Ca 0.53 -0.56 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 2hs2 s LYS 45 Cb -0.27 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2hs2 s LYS 45 CO 0.34 -0.28 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.31 2hs2 s LEU 46 N -2.21 2.26 0.12 5.43 1.02 -1.26 -0.81 118.68 123.23 2hs2 s LEU 46 Ca -0.03 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.69 2hs2 s LEU 46 Cb -0.00 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 2hs2 s LEU 46 CO -0.05 0.30 -0.06 0.27 0.02 0.00 0.00 176.35 176.83 2hs2 s ILE 47 N -0.71 0.81 0.03 -0.59 -4.36 -0.68 -4.99 121.20 110.70 2hs2 s ILE 47 Ca 0.11 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.56 2hs2 s ILE 47 Cb -0.10 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 2hs2 s ILE 47 CO 0.01 -0.76 -0.10 -0.83 0.24 0.00 0.00 174.94 173.49 2hs2 s GLY 48 N -3.10 0.58 0.00 6.27 0.00 -1.26 -0.86 107.32 108.96 2hs2 s GLY 48 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2hs2 s GLY 48 CO -0.02 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.06 2hs2 n GLY 49 N 2.11 5.00 3.74 0.20 0.00 -0.42 -5.00 105.19 110.81 2hs2 n GLY 49 Ca -0.18 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2hs2 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hs2 s ILE 50 N -0.33 2.74 0.00 -0.61 1.01 -1.26 -2.87 121.20 119.88 2hs2 s ILE 50 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.27 2hs2 s ILE 50 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2hs2 s ILE 50 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2hs2 n GLY 51 N 2.19 3.10 0.00 6.18 0.00 -1.26 -4.98 105.19 110.41 2hs2 n GLY 51 Ca 0.06 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2hs2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hs2 n GLY 52 N 0.00 0.85 3.28 -0.02 0.00 -1.14 -5.11 105.19 103.06 2hs2 n GLY 52 Ca 0.00 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 2hs2 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hs2 s PHE 53 N -2.59 2.11 0.07 1.61 0.40 -1.26 -1.30 117.98 117.01 2hs2 s PHE 53 Ca 0.00 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 2hs2 s PHE 53 Cb 0.00 -1.33 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 2hs2 s PHE 53 CO 0.00 0.01 -0.16 0.96 0.70 0.00 0.00 175.22 176.73 2hs2 s ILE 54 N -0.63 1.30 0.03 0.64 -4.36 -0.04 -4.98 121.20 113.16 2hs2 s ILE 54 Ca 0.09 -1.25 -0.27 0.00 -0.26 0.00 0.00 60.65 58.96 2hs2 s ILE 54 Cb -0.09 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.38 2hs2 s ILE 54 CO -0.00 -0.08 0.86 -0.54 0.24 0.00 0.00 174.94 175.42 2hs2 s LYS 55 N -1.54 4.56 0.26 0.37 1.02 -1.26 -1.68 119.74 121.46 2hs2 s LYS 55 Ca 0.02 1.23 0.03 0.00 0.02 0.00 0.00 55.97 57.27 2hs2 s LYS 55 Cb -0.09 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2hs2 s LYS 55 CO 0.02 0.14 0.04 0.14 -0.92 0.00 0.00 175.35 174.77 2hs2 s VAL 56 N 0.38 0.96 -0.32 3.17 -7.23 0.01 -4.55 120.40 112.81 2hs2 s VAL 56 Ca 0.44 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2hs2 s VAL 56 Cb -0.21 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.24 2hs2 s VAL 56 CO 0.25 -0.16 0.07 -0.13 -0.31 0.00 0.00 175.10 174.82 2hs2 s ARG 57 N -3.91 2.64 -0.10 4.82 0.52 0.65 -2.52 118.95 121.05 2hs2 s ARG 57 Ca 0.33 -1.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.18 2hs2 s ARG 57 Cb 0.07 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2hs2 s ARG 57 CO 0.12 -0.62 0.55 -1.14 0.02 0.00 0.00 175.30 174.23 2hs2 s GLN 58 N 1.37 4.37 -0.10 3.54 0.74 -0.13 -0.61 119.66 128.84 2hs2 s GLN 58 Ca -0.02 0.60 0.02 0.00 0.05 0.00 0.00 55.36 56.01 2hs2 s GLN 58 Cb -0.19 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.49 2hs2 s GLN 58 CO 0.02 0.14 -0.17 0.71 -0.55 0.00 0.00 175.29 175.43 2hs2 s TYR 59 N 0.64 2.06 0.26 1.67 1.51 -0.49 -1.77 117.35 121.22 2hs2 s TYR 59 Ca 0.30 -0.93 0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2hs2 s TYR 59 Cb -0.16 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.21 2hs2 s TYR 59 CO 0.13 -0.45 0.34 -0.51 -1.11 0.00 0.00 175.55 173.95 2hs2 s ASP 60 N 0.81 6.08 -1.40 2.29 1.01 -1.26 -1.14 116.67 123.06 2hs2 s ASP 60 Ca -0.10 -0.04 -0.10 0.00 0.71 0.00 0.00 52.55 53.02 2hs2 s ASP 60 Cb -0.16 -1.67 0.03 0.00 1.01 0.00 0.00 42.92 42.14 2hs2 s ASP 60 CO 0.01 -0.11 1.12 0.00 0.21 0.00 0.00 175.17 176.39 2hs2 n GLN 61 N -1.39 -7.21 -3.06 8.23 6.02 -1.18 -4.92 117.38 113.87 2hs2 n GLN 61 Ca -0.08 0.76 -0.40 0.00 -0.01 0.00 0.00 57.00 57.28 2hs2 n GLN 61 Cb 0.57 -5.77 -0.05 0.00 1.02 0.00 0.00 30.24 26.02 2hs2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hs2 s ILE 62 N -3.32 5.03 -0.22 5.09 -1.09 -0.28 -4.76 121.20 121.65 2hs2 s ILE 62 Ca 0.57 1.42 -0.21 0.00 -2.23 0.00 0.00 60.65 60.21 2hs2 s ILE 62 Cb -0.26 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2hs2 s ILE 62 CO 0.76 0.27 0.64 -0.63 -1.23 0.00 0.00 174.94 174.75 2hs2 s ILE 63 N 0.70 5.00 -0.02 2.92 1.01 -1.26 -1.42 121.20 128.13 2hs2 s ILE 63 Ca 0.37 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.22 2hs2 s ILE 63 Cb -0.18 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2hs2 s ILE 63 CO 0.18 0.08 -0.04 -0.51 0.00 0.00 0.00 174.94 174.64 2hs2 s ILE 64 N 2.13 0.44 -0.22 2.92 2.07 -0.37 -4.42 121.20 123.75 2hs2 s ILE 64 Ca 0.28 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.26 2hs2 s ILE 64 Cb -0.16 -0.43 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 2hs2 s ILE 64 CO 0.10 0.17 0.16 -0.70 -1.91 0.00 0.00 174.94 172.75 2hs2 s GLU 65 N 0.42 4.14 -0.22 3.50 2.12 -0.29 -1.01 118.70 127.35 2hs2 s GLU 65 Ca -0.05 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.08 2hs2 s GLU 65 Cb -0.09 -3.48 0.05 0.00 0.26 0.00 0.00 34.13 30.87 2hs2 s GLU 65 CO -0.00 0.17 -0.13 0.42 -0.54 0.00 0.00 175.26 175.18 2hs2 s ILE 66 N 0.73 2.01 -1.37 -3.70 1.01 0.40 -1.05 121.20 119.23 2hs2 s ILE 66 Ca 0.08 -1.30 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 2hs2 s ILE 66 Cb -0.12 -2.03 0.12 0.00 0.01 0.00 0.00 42.46 40.43 2hs2 s ILE 66 CO 0.02 0.17 0.54 0.00 0.00 0.00 0.00 174.94 175.67 2hs2 n ALA 67 N 4.54 -1.13 -0.02 9.38 0.00 0.16 -0.95 120.51 132.49 2hs2 n ALA 67 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2hs2 n ALA 67 Cb 0.45 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2hs2 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hs2 n GLY 68 N -1.14 0.53 3.56 0.00 0.00 -1.26 -5.04 105.19 101.83 2hs2 n GLY 68 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2hs2 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hs2 s HIS 69 N -2.19 3.05 0.04 1.61 4.02 -0.12 -5.08 115.29 116.61 2hs2 s HIS 69 Ca 0.00 -0.12 -0.27 0.00 1.02 0.00 0.00 55.06 55.69 2hs2 s HIS 69 Cb 0.00 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.58 29.63 2hs2 s HIS 69 CO 0.00 0.14 0.84 0.21 1.02 0.00 0.00 174.74 176.96 2hs2 s LYS 70 N -0.11 4.55 0.08 1.40 2.47 -1.26 -0.45 119.74 126.42 2hs2 s LYS 70 Ca 0.03 1.20 0.04 0.00 -1.56 0.00 0.00 55.97 55.68 2hs2 s LYS 70 Cb -0.13 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.81 2hs2 s LYS 70 CO 0.02 0.18 -0.11 0.00 0.16 0.00 0.00 175.35 175.60 2hs2 s ALA 71 N 0.25 1.10 -0.08 3.13 0.00 -0.18 -4.83 121.76 121.15 2hs2 s ALA 71 Ca 0.43 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2hs2 s ALA 71 Cb -0.21 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2hs2 s ALA 71 CO 0.25 0.04 -0.02 0.42 0.00 0.00 0.00 175.76 176.44 2hs2 s ILE 72 N -1.94 0.55 -0.78 0.00 1.01 -1.26 -1.24 121.20 117.54 2hs2 s ILE 72 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2hs2 s ILE 72 Cb -0.06 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2hs2 s ILE 72 CO 0.01 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2hs2 n GLY 73 N 4.95 -0.62 3.73 6.18 0.00 -0.50 -4.88 105.19 114.04 2hs2 n GLY 73 Ca -0.11 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 2hs2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hs2 s THR 74 N -3.00 4.89 -0.08 2.61 2.01 -1.26 -1.13 115.64 119.67 2hs2 s THR 74 Ca 0.00 1.58 0.04 0.00 0.31 0.00 0.00 61.69 63.62 2hs2 s THR 74 Cb 0.00 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 2hs2 s THR 74 CO 0.00 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.32 2hs2 s VAL 75 N 0.40 1.87 -0.13 3.82 1.01 -0.30 -4.55 120.40 122.54 2hs2 s VAL 75 Ca 0.39 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2hs2 s VAL 75 Cb -0.19 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2hs2 s VAL 75 CO 0.21 0.52 0.24 -0.76 0.00 0.00 0.00 175.10 175.31 2hs2 s LEU 76 N 0.25 4.32 -0.21 3.92 1.43 -0.53 -1.40 118.68 126.46 2hs2 s LEU 76 Ca -0.14 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 2hs2 s LEU 76 Cb -0.16 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2hs2 s LEU 76 CO 0.07 0.25 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2hs2 s VAL 77 N -0.27 4.23 0.11 -1.59 1.01 0.22 -0.73 120.40 123.38 2hs2 s VAL 77 Ca 0.16 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 2hs2 s VAL 77 Cb -0.13 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.39 2hs2 s VAL 77 CO 0.04 0.41 0.99 0.61 0.00 0.00 0.00 175.10 177.15 2hs2 n GLY 78 N 4.29 0.54 2.53 4.51 0.00 -0.52 -0.25 105.19 116.29 2hs2 n GLY 78 Ca -0.17 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2hs2 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hs2 n PRO 79 N -0.70 3.17 -3.34 1.61 -0.04 -1.26 -4.08 135.00 130.35 2hs2 n PRO 79 Ca -0.00 -2.29 -0.38 0.00 -0.04 0.00 0.00 63.50 60.79 2hs2 n PRO 79 Cb 0.52 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 2hs2 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2hs2 s THR 80 N 2.78 5.05 0.36 0.52 -1.32 -1.26 -4.98 115.64 116.79 2hs2 s THR 80 Ca 0.58 1.00 0.35 0.00 -1.21 0.00 0.00 61.69 62.41 2hs2 s THR 80 Cb 0.16 -3.82 0.37 0.00 -1.51 0.00 0.00 72.50 67.70 2hs2 s THR 80 CO -0.06 0.44 2.12 -0.65 -2.21 0.00 0.00 174.62 174.25 2hs2 h PRO 81 N 5.75 0.00 -3.24 7.08 0.11 -1.98 -3.43 132.00 136.29 2hs2 h PRO 81 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 2hs2 h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 2hs2 h PRO 81 CO 0.69 0.05 -0.46 0.54 -0.21 0.00 0.00 178.00 178.61 2hs2 s VAL 82 N -3.97 0.01 0.26 3.15 0.11 -1.26 -5.12 120.40 113.59 2hs2 s VAL 82 Ca -0.02 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 2hs2 s VAL 82 Cb 0.11 -0.33 -0.10 0.00 -1.53 0.00 0.00 36.38 34.53 2hs2 s VAL 82 CO 0.52 -0.05 1.47 0.20 -3.33 0.00 0.00 175.10 173.91 2hs2 s ASN 83 N -0.10 6.59 -0.05 3.54 0.01 -1.26 -4.89 114.94 118.78 2hs2 s ASN 83 Ca -0.02 2.73 0.03 0.00 -0.71 0.00 0.00 52.86 54.89 2hs2 s ASN 83 Cb -0.02 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2hs2 s ASN 83 CO 0.01 -0.74 -0.13 0.27 -1.51 0.00 0.00 177.10 174.99 2hs2 s ILE 84 N -0.06 1.13 -0.37 0.60 -4.36 -0.01 -0.70 121.20 117.42 2hs2 s ILE 84 Ca 0.60 -0.52 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 2hs2 s ILE 84 Cb -0.43 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.28 2hs2 s ILE 84 CO 0.45 0.34 0.38 -0.63 0.24 0.00 0.00 174.94 175.73 2hs2 s ILE 85 N 0.34 5.14 0.46 8.37 -1.09 0.26 -1.51 121.20 133.18 2hs2 s ILE 85 Ca -0.08 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2hs2 s ILE 85 Cb -0.12 -3.90 0.08 0.00 -1.58 0.00 0.00 42.46 36.94 2hs2 s ILE 85 CO 0.02 -0.22 0.63 0.61 -1.23 0.00 0.00 174.94 174.76 2hs2 n GLY 86 N 5.02 1.36 0.24 6.18 0.00 -1.23 -1.22 105.19 115.54 2hs2 n GLY 86 Ca -0.09 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 43.91 2hs2 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hs2 h ARG 87 N 0.00 0.00 -0.67 1.61 3.08 -0.85 -1.28 114.38 116.26 2hs2 h ARG 87 Ca -0.21 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.93 2hs2 h ARG 87 Cb 0.88 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 2hs2 h ARG 87 CO 0.26 0.13 0.45 -2.95 -1.07 0.00 0.00 179.97 176.79 2hs2 h ASN 88 N 0.00 0.50 0.07 7.04 -1.07 -1.78 -2.47 115.58 117.87 2hs2 h ASN 88 Ca -0.00 0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.09 2hs2 h ASN 88 Cb 0.26 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.37 2hs2 h ASN 88 CO 0.02 0.30 -2.22 0.18 0.07 0.00 0.00 177.43 175.78 2hs2 n LEU 89 N -4.48 0.11 -0.25 6.14 4.77 -0.72 -4.36 117.00 118.20 2hs2 n LEU 89 Ca 0.11 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2hs2 n LEU 89 Cb 0.33 0.36 0.21 0.00 -2.33 0.00 0.00 43.42 42.00 2hs2 n LEU 89 CO 0.33 0.38 1.25 -0.07 -1.33 0.00 0.00 177.39 177.95 2hs2 h LEU 90 N 0.00 0.93 -1.48 2.23 3.38 -1.01 -1.24 115.31 118.13 2hs2 h LEU 90 Ca -0.41 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2hs2 h LEU 90 Cb 1.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2hs2 h LEU 90 CO 0.03 0.68 -0.06 0.71 0.09 0.00 0.00 178.44 179.90 2hs2 h THR 91 N 1.10 1.15 0.00 0.22 1.35 -1.66 -1.92 112.91 113.14 2hs2 h THR 91 Ca 0.29 -0.62 -0.07 0.00 -0.55 0.00 0.00 66.41 65.46 2hs2 h THR 91 Cb -0.11 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2hs2 h THR 91 CO -0.06 0.20 -0.32 1.56 -0.25 0.00 0.00 175.52 176.65 2hs2 h GLN 92 N 0.26 0.00 -0.57 4.72 4.20 -1.42 -2.89 115.11 119.41 2hs2 h GLN 92 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2hs2 h GLN 92 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2hs2 h GLN 92 CO 0.01 0.32 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 2hs2 n ILE 93 N -3.42 0.76 -1.49 2.54 -5.35 -1.06 -4.95 119.36 106.38 2hs2 n ILE 93 Ca 0.00 -0.84 -0.04 0.00 -0.27 0.00 0.00 62.75 61.61 2hs2 n ILE 93 Cb 0.51 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 39.01 2hs2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hs2 n GLY 94 N 1.55 0.48 3.75 3.28 0.00 -1.09 -5.01 105.19 108.15 2hs2 n GLY 94 Ca 0.22 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 2hs2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hs2 s ALA 95 N -2.15 3.37 0.11 4.61 0.00 -0.75 -5.03 121.76 121.91 2hs2 s ALA 95 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 51.96 52.79 2hs2 s ALA 95 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2hs2 s ALA 95 CO 0.00 -0.08 -0.11 0.95 0.00 0.00 0.00 175.76 176.52 2hs2 s THR 96 N -0.83 1.07 -0.18 0.00 -4.23 -1.26 -4.72 115.64 105.48 2hs2 s THR 96 Ca 0.45 -1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 2hs2 s THR 96 Cb -0.29 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 2hs2 s THR 96 CO 0.36 -0.51 0.19 -0.76 -0.54 0.00 0.00 174.62 173.37 2hs2 s LEU 97 N -2.45 4.23 0.01 4.79 1.43 -1.26 -5.09 118.68 120.34 2hs2 s LEU 97 Ca 0.07 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 2hs2 s LEU 97 Cb -0.04 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 2hs2 s LEU 97 CO 0.01 0.16 -0.14 0.20 0.23 0.00 0.00 176.35 176.81 2hs2 s ASN 98 N 0.35 1.66 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.82 2hs2 s ASN 98 Ca 0.12 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 2hs2 s ASN 98 Cb -0.12 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 2hs2 s ASN 98 CO 0.00 0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.89