#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb2 s LEU 2 N 0.00 0.61 -0.06 3.17 2.96 -1.26 -5.13 118.68 118.97 3mb2 s LEU 2 Ca 0.00 -0.96 0.03 0.00 -0.22 0.00 0.00 54.13 52.98 3mb2 s LEU 2 Cb 0.00 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.34 3mb2 s LEU 2 CO 0.00 -0.39 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.28 3mb2 s LEU 3 N 2.07 1.80 0.02 -0.68 1.98 -1.26 -2.06 118.68 120.54 3mb2 s LEU 3 Ca 0.05 -0.34 0.04 0.00 -2.89 0.00 0.00 54.13 50.99 3mb2 s LEU 3 Cb -0.16 -0.92 -0.03 0.00 0.66 0.00 0.00 46.19 45.74 3mb2 s LEU 3 CO -0.21 0.09 -0.08 -0.76 -1.89 0.00 0.00 176.35 173.51 3mb2 s LEU 4 N 0.36 3.12 -0.14 -0.68 1.02 0.52 -4.99 118.68 117.89 3mb2 s LEU 4 Ca -0.10 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 3mb2 s LEU 4 Cb -0.14 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.31 3mb2 s LEU 4 CO 0.03 0.27 -0.02 -0.60 0.02 0.00 0.00 176.35 176.05 3mb2 s ARG 5 N -1.51 1.06 -0.14 1.70 3.52 -1.26 -0.66 118.95 121.66 3mb2 s ARG 5 Ca 0.17 -0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.34 3mb2 s ARG 5 Cb -0.11 -1.72 -0.05 0.00 -1.56 0.00 0.00 34.95 31.52 3mb2 s ARG 5 CO 0.08 -0.43 0.28 0.42 -0.81 0.00 0.00 175.30 174.84 3mb2 s ILE 6 N 1.78 5.30 -0.18 4.11 1.01 0.30 -4.97 121.20 128.56 3mb2 s ILE 6 Ca 0.02 0.52 -0.00 0.00 0.00 0.00 0.00 60.65 61.19 3mb2 s ILE 6 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3mb2 s ILE 6 CO -0.07 0.43 -0.14 -0.89 0.00 0.00 0.00 174.94 174.27 3mb2 s THR 7 N 0.17 2.65 0.05 2.92 2.01 -1.26 -0.99 115.64 121.19 3mb2 s THR 7 Ca 0.16 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3mb2 s THR 7 Cb -0.13 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.24 3mb2 s THR 7 CO 0.04 0.50 0.22 0.00 -0.69 0.00 0.00 174.62 174.70 3mb2 s MET 8 N 1.09 0.75 0.24 4.92 0.00 -0.42 -5.00 119.30 120.88 3mb2 s MET 8 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 55.69 54.72 3mb2 s MET 8 Cb -0.14 0.31 -0.09 0.00 0.00 0.00 0.00 34.83 34.91 3mb2 s MET 8 CO -0.04 -0.23 1.33 -1.17 0.00 0.00 0.00 175.02 174.91 3mb2 s LEU 9 N -2.25 4.42 0.97 0.18 2.96 -1.26 -0.77 118.68 122.92 3mb2 s LEU 9 Ca -0.03 2.51 -0.12 0.00 -0.22 0.00 0.00 54.13 56.27 3mb2 s LEU 9 Cb 0.00 -3.62 0.17 0.00 0.50 0.00 0.00 46.19 43.24 3mb2 s LEU 9 CO -0.05 -0.56 1.10 -1.83 -1.32 0.00 0.00 176.35 173.69 3mb2 s GLU 10 N -0.51 0.70 0.00 1.98 -1.05 -0.23 -4.48 118.70 115.11 3mb2 s GLU 10 Ca 0.56 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.92 3mb2 s GLU 10 Cb -0.38 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 3mb2 s GLU 10 CO 0.42 -2.56 0.00 0.41 0.95 0.00 0.00 175.26 174.48 3mb2 n GLY 11 N -1.25 1.19 3.91 -3.83 0.00 -1.26 -4.90 105.19 99.05 3mb2 n GLY 11 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3mb2 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mb2 s ARG 12 N -0.20 3.47 0.52 1.61 1.81 -1.26 -5.06 118.95 119.84 3mb2 s ARG 12 Ca 0.00 0.17 -0.17 0.00 -1.72 0.00 0.00 55.73 54.01 3mb2 s ARG 12 Cb 0.00 -2.37 -0.08 0.00 -0.45 0.00 0.00 34.95 32.06 3mb2 s ARG 12 CO 0.00 -0.26 0.99 -1.54 -0.68 0.00 0.00 175.30 173.81 3mb2 s SER 13 N -4.13 6.57 0.55 0.23 1.04 -1.26 -4.90 113.70 111.80 3mb2 s SER 13 Ca 0.48 1.60 0.29 0.00 0.48 0.00 0.00 55.95 58.80 3mb2 s SER 13 Cb -0.10 -2.51 1.58 0.00 0.10 0.00 0.00 66.02 65.08 3mb2 s SER 13 CO 0.45 -0.62 2.12 0.71 0.98 0.00 0.00 173.24 176.87 3mb2 h THR 14 N 0.93 0.49 -0.09 2.02 1.35 -1.99 -0.62 112.91 114.99 3mb2 h THR 14 Ca -0.47 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 64.85 3mb2 h THR 14 Cb 1.19 1.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3mb2 h THR 14 CO 0.61 0.08 -0.43 -0.33 -0.25 0.00 0.00 175.52 175.20 3mb2 h GLU 15 N 0.00 0.45 -0.49 4.72 3.07 -1.99 -1.83 114.58 118.52 3mb2 h GLU 15 Ca -0.00 -0.37 0.06 0.00 -0.50 0.00 0.00 59.36 58.55 3mb2 h GLU 15 Cb 0.27 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.20 3mb2 h GLU 15 CO 0.01 1.00 0.19 1.96 -1.40 0.00 0.00 179.01 180.77 3mb2 h GLN 16 N 0.02 0.36 -0.70 2.33 4.20 -1.69 -0.26 115.11 119.36 3mb2 h GLN 16 Ca -0.03 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3mb2 h GLN 16 Cb 1.08 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3mb2 h GLN 16 CO 0.09 0.24 0.20 0.87 -0.67 0.00 0.00 178.83 179.56 3mb2 h LYS 17 N 0.37 1.10 -0.19 1.46 1.57 -1.12 -0.74 116.57 119.02 3mb2 h LYS 17 Ca 0.23 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3mb2 h LYS 17 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3mb2 h LYS 17 CO -0.22 0.96 -0.31 0.00 -0.57 0.00 0.00 179.45 179.31 3mb2 h ALA 18 N 1.09 1.12 0.00 3.86 0.00 -1.18 -1.93 119.26 122.22 3mb2 h ALA 18 Ca 0.22 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3mb2 h ALA 18 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mb2 h ALA 18 CO -0.00 0.56 -0.81 1.49 0.00 0.00 0.00 179.25 180.49 3mb2 h GLU 19 N 0.33 0.00 -0.40 0.00 4.57 -0.42 -2.35 114.58 116.32 3mb2 h GLU 19 Ca 0.04 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 3mb2 h GLU 19 Cb 0.72 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3mb2 h GLU 19 CO 0.05 0.81 -0.32 -0.07 -1.18 0.00 0.00 179.01 178.30 3mb2 h LEU 20 N 0.00 0.93 -0.51 1.64 3.38 -0.87 -0.10 115.31 119.79 3mb2 h LEU 20 Ca -0.01 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 3mb2 h LEU 20 Cb 1.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3mb2 h LEU 20 CO 0.11 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.80 3mb2 h ALA 21 N 0.89 0.68 0.11 1.53 0.00 -1.21 -1.17 119.26 120.09 3mb2 h ALA 21 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3mb2 h ALA 21 Cb 0.89 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3mb2 h ALA 21 CO 0.08 0.49 -0.05 -0.09 0.00 0.00 0.00 179.25 179.68 3mb2 h ARG 22 N 0.76 -0.14 -0.54 0.00 2.43 -1.36 -1.92 114.38 113.60 3mb2 h ARG 22 Ca 0.14 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3mb2 h ARG 22 Cb 0.52 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3mb2 h ARG 22 CO 0.03 0.29 -0.07 0.00 -1.51 0.00 0.00 179.97 178.71 3mb2 h ALA 23 N 0.14 0.85 -0.13 2.80 0.00 -0.95 -2.18 119.26 119.79 3mb2 h ALA 23 Ca -0.02 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3mb2 h ALA 23 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 23 CO 0.03 0.65 -0.73 -0.07 0.00 0.00 0.00 179.25 179.13 3mb2 h LEU 24 N 0.88 0.72 -0.18 0.00 3.38 -1.27 -0.95 115.31 117.89 3mb2 h LEU 24 Ca 0.15 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3mb2 h LEU 24 Cb 0.62 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3mb2 h LEU 24 CO 0.04 1.23 0.08 0.28 0.09 0.00 0.00 178.44 180.16 3mb2 h SER 25 N 0.42 0.24 -0.78 -0.43 0.02 -1.33 0.38 113.55 112.06 3mb2 h SER 25 Ca -0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3mb2 h SER 25 Cb 1.33 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 3mb2 h SER 25 CO 0.14 0.30 0.40 0.00 -1.14 0.00 0.00 176.83 176.53 3mb2 h ALA 26 N 0.94 1.01 -0.80 3.77 0.00 -1.25 -0.85 119.26 122.07 3mb2 h ALA 26 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3mb2 h ALA 26 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3mb2 h ALA 26 CO -0.01 0.55 0.40 0.00 0.00 0.00 0.00 179.25 180.19 3mb2 h ALA 27 N 1.20 1.19 -0.23 0.00 0.00 -0.82 -1.78 119.26 118.83 3mb2 h ALA 27 Ca 0.27 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3mb2 h ALA 27 Cb 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mb2 h ALA 27 CO -0.04 0.63 -0.46 0.00 0.00 0.00 0.00 179.25 179.38 3mb2 h ALA 28 N 1.30 0.37 -0.23 0.00 0.00 -0.53 -1.18 119.26 119.00 3mb2 h ALA 28 Ca 0.28 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3mb2 h ALA 28 Cb 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3mb2 h ALA 28 CO -0.04 0.52 -0.17 0.00 0.00 0.00 0.00 179.25 179.57 3mb2 h ALA 29 N 0.63 -0.01 0.02 0.00 0.00 -0.96 -0.93 119.26 118.01 3mb2 h ALA 29 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mb2 h ALA 29 Cb 1.07 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3mb2 h ALA 29 CO 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 179.25 178.75 3mb2 h ALA 30 N 0.97 -0.03 -0.61 0.00 0.00 -1.30 -0.39 119.26 117.90 3mb2 h ALA 30 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mb2 h ALA 30 Cb 0.36 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3mb2 h ALA 30 CO -0.33 -0.41 0.31 0.00 0.00 0.00 0.00 179.25 178.83 3mb2 h ALA 31 N 0.72 0.79 -0.40 0.00 0.00 -1.09 -2.96 119.26 116.32 3mb2 h ALA 31 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3mb2 h ALA 31 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mb2 h ALA 31 CO 0.01 0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.78 3mb2 n PHE 32 N -4.53 0.51 -3.59 0.00 3.72 -0.36 -4.97 117.46 108.23 3mb2 n PHE 32 Ca 0.04 -0.26 -0.23 0.00 -0.05 0.00 0.00 57.45 56.96 3mb2 n PHE 32 Cb 0.11 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3mb2 n PHE 32 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3mb2 n ASP 33 N 1.41 -3.55 -4.27 4.37 8.00 -0.22 -5.03 116.55 117.26 3mb2 n ASP 33 Ca 0.19 -0.85 -0.25 0.00 0.71 0.00 0.00 54.79 54.60 3mb2 n ASP 33 Cb 0.59 -4.15 -0.13 0.00 -0.02 0.00 0.00 41.12 37.40 3mb2 n ASP 33 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3mb2 s VAL 34 N -3.54 1.72 0.27 2.53 -7.23 -0.80 -5.06 120.40 108.29 3mb2 s VAL 34 Ca 0.24 -1.39 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 3mb2 s VAL 34 Cb -0.06 -1.53 -0.13 0.00 0.56 0.00 0.00 36.38 35.22 3mb2 s VAL 34 CO 0.81 0.08 1.45 -2.65 -0.31 0.00 0.00 175.10 174.47 3mb2 n PRO 35 N 1.44 2.23 -0.34 4.82 -0.02 -1.26 -4.54 135.00 137.34 3mb2 n PRO 35 Ca -0.18 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 3mb2 n PRO 35 Cb 0.53 -2.48 0.39 0.00 -0.02 0.00 0.00 33.50 31.93 3mb2 n PRO 35 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mb2 h LEU 36 N 4.18 0.67 -2.27 2.45 5.85 -1.93 -0.05 115.31 124.20 3mb2 h LEU 36 Ca -0.46 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3mb2 h LEU 36 Cb 1.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3mb2 h LEU 36 CO 0.75 0.18 0.13 0.00 -0.34 0.00 0.00 178.44 179.17 3mb2 h ALA 37 N 1.66 1.76 -0.00 1.25 0.00 -2.00 -2.07 119.26 119.87 3mb2 h ALA 37 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3mb2 h ALA 37 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mb2 h ALA 37 CO -0.38 -0.19 -0.21 0.39 0.00 0.00 0.00 179.25 178.85 3mb2 n GLU 38 N -3.90 0.56 -2.84 0.00 1.02 -0.03 -4.89 120.64 110.56 3mb2 n GLU 38 Ca 0.00 -0.25 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 3mb2 n GLU 38 Cb 0.24 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 3mb2 n GLU 38 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3mb2 s VAL 39 N -2.62 4.80 -0.01 2.62 1.01 -0.78 -4.45 120.40 120.98 3mb2 s VAL 39 Ca 0.23 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 3mb2 s VAL 39 Cb 0.19 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3mb2 s VAL 39 CO 0.53 -0.09 0.18 -0.13 0.00 0.00 0.00 175.10 175.59 3mb2 s ARG 40 N 2.85 3.43 -0.03 2.72 3.00 -0.88 -5.03 118.95 125.01 3mb2 s ARG 40 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 55.73 55.77 3mb2 s ARG 40 Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 34.95 31.73 3mb2 s ARG 40 CO 0.08 0.68 0.03 -1.17 0.00 0.00 0.00 175.30 174.91 3mb2 s LEU 41 N -1.93 0.80 -0.11 2.53 0.20 -1.26 -0.35 118.68 118.56 3mb2 s LEU 41 Ca 0.27 0.02 -0.02 0.00 0.69 0.00 0.00 54.13 55.10 3mb2 s LEU 41 Cb -0.13 -0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.44 3mb2 s LEU 41 CO 0.18 -0.16 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.41 3mb2 s ILE 42 N 1.44 3.89 -0.11 6.68 1.09 0.16 -4.96 121.20 129.39 3mb2 s ILE 42 Ca -0.04 -0.39 -0.00 0.00 -1.10 0.00 0.00 60.65 59.12 3mb2 s ILE 42 Cb -0.13 -2.65 -0.02 0.00 -1.06 0.00 0.00 42.46 38.60 3mb2 s ILE 42 CO -0.03 0.55 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.64 3mb2 s ILE 43 N -0.31 3.42 -0.10 2.92 1.01 -1.26 -0.54 121.20 126.34 3mb2 s ILE 43 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3mb2 s ILE 43 Cb -0.12 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3mb2 s ILE 43 CO 0.02 0.54 -0.05 -1.58 0.00 0.00 0.00 174.94 173.88 3mb2 s GLN 44 N -0.10 1.19 0.10 2.79 2.00 -0.17 -4.98 119.66 120.51 3mb2 s GLN 44 Ca -0.00 -0.15 0.03 0.00 -2.00 0.00 0.00 55.36 53.24 3mb2 s GLN 44 Cb -0.13 -1.42 -0.04 0.00 0.80 0.00 0.00 33.01 32.22 3mb2 s GLN 44 CO 0.03 -0.30 0.14 -1.21 -0.50 0.00 0.00 175.29 173.45 3mb2 s GLU 45 N 1.80 3.04 -0.01 1.67 2.02 -1.26 -1.31 118.70 124.65 3mb2 s GLU 45 Ca 0.05 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.38 3mb2 s GLU 45 Cb -0.13 -2.79 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 3mb2 s GLU 45 CO -0.07 0.55 -0.06 0.08 0.02 0.00 0.00 175.26 175.78 3mb2 s VAL 46 N -1.52 0.52 0.67 2.63 1.01 0.05 -4.89 120.40 118.87 3mb2 s VAL 46 Ca 0.31 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 3mb2 s VAL 46 Cb -0.12 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3mb2 s VAL 46 CO 0.24 0.16 1.13 -2.84 0.00 0.00 0.00 175.10 173.79 3mb2 s PRO 47 N -0.02 2.66 0.50 2.72 0.02 -1.26 -1.07 135.00 138.56 3mb2 s PRO 47 Ca 0.01 1.48 0.25 0.00 0.02 0.00 0.00 61.00 62.76 3mb2 s PRO 47 Cb -0.04 -1.93 1.33 0.00 0.02 0.00 0.00 34.50 33.88 3mb2 s PRO 47 CO -0.00 -1.37 1.91 -1.00 -0.33 0.00 0.00 177.00 176.21 3mb2 h PRO 48 N -0.00 0.13 0.00 5.54 0.13 -1.94 0.05 132.00 135.91 3mb2 h PRO 48 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mb2 h PRO 48 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3mb2 h PRO 48 CO 0.53 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 3mb2 n THR 49 N -4.37 0.92 -0.22 1.56 -2.24 -1.26 -2.03 114.28 106.63 3mb2 n THR 49 Ca 0.16 0.24 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 3mb2 n THR 49 Cb 0.76 -1.05 0.13 0.00 -2.10 0.00 0.00 70.33 68.07 3mb2 n THR 49 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3mb2 n HIS 50 N -1.78 0.40 -3.98 4.78 8.25 0.00 -4.85 115.22 118.05 3mb2 n HIS 50 Ca 0.03 -0.54 -0.30 0.00 -0.26 0.00 0.00 57.72 56.66 3mb2 n HIS 50 Cb 0.20 -0.06 -0.16 0.00 1.12 0.00 0.00 29.99 31.09 3mb2 n HIS 50 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3mb2 s TRP 51 N -1.18 2.10 0.13 4.41 -0.11 -1.21 -4.91 118.94 118.18 3mb2 s TRP 51 Ca 0.20 -1.24 0.09 0.00 1.22 0.00 0.00 56.10 56.37 3mb2 s TRP 51 Cb 0.12 -1.53 -0.04 0.00 -1.50 0.00 0.00 33.47 30.52 3mb2 s TRP 51 CO 0.12 -0.66 -0.22 0.95 -4.62 0.00 0.00 176.95 172.52 3mb2 s THR 52 N 1.51 1.91 -0.02 5.86 -4.23 -1.26 -0.76 115.64 118.64 3mb2 s THR 52 Ca 0.03 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3mb2 s THR 52 Cb -0.14 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3mb2 s THR 52 CO -0.09 -0.10 0.02 -0.69 -0.54 0.00 0.00 174.62 173.21 3mb2 s VAL 53 N -1.41 0.03 -1.43 2.29 1.01 -0.87 -4.77 120.40 115.26 3mb2 s VAL 53 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3mb2 s VAL 53 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3mb2 s VAL 53 CO 0.06 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3mb2 n GLY 54 N 4.04 -0.13 1.30 4.51 0.00 -1.26 -1.36 105.19 112.30 3mb2 n GLY 54 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3mb2 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mb2 n GLY 55 N -0.78 1.19 3.24 -0.02 0.00 -1.26 -5.05 105.19 102.50 3mb2 n GLY 55 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3mb2 n GLY 55 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mb2 s ILE 56 N -2.52 2.15 0.86 -0.61 1.10 -0.46 -5.00 121.20 116.72 3mb2 s ILE 56 Ca 0.00 -0.99 -0.12 0.00 -0.51 0.00 0.00 60.65 59.03 3mb2 s ILE 56 Cb 0.00 -1.82 0.11 0.00 0.15 0.00 0.00 42.46 40.90 3mb2 s ILE 56 CO 0.00 0.56 1.18 -0.94 -2.11 0.00 0.00 174.94 173.63 3mb2 s SER 57 N 0.31 3.26 0.41 4.50 1.04 -1.26 -2.04 113.70 119.91 3mb2 s SER 57 Ca -0.17 2.29 0.14 0.00 0.48 0.00 0.00 55.95 58.69 3mb2 s SER 57 Cb -0.18 -2.58 0.86 0.00 0.10 0.00 0.00 66.02 64.22 3mb2 s SER 57 CO 0.08 -2.89 1.89 0.24 0.98 0.00 0.00 173.24 173.55 3mb2 h MET 58 N -1.36 0.00 0.00 4.02 2.86 -0.34 -1.68 114.93 118.43 3mb2 h MET 58 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3mb2 h MET 58 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3mb2 h MET 58 CO 0.44 0.29 0.00 0.00 1.06 0.00 0.00 176.91 178.70 3mb2 h ALA 59 N 1.71 1.00 -1.21 6.32 0.00 -1.82 -3.35 119.26 121.91 3mb2 h ALA 59 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 3mb2 h ALA 59 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3mb2 h ALA 59 CO 0.04 0.00 1.23 -1.21 0.00 0.00 0.00 179.25 179.30 3mb2 s GLU 60 N -3.99 3.21 0.00 0.00 8.01 -0.63 -5.07 118.70 120.23 3mb2 s GLU 60 Ca -0.04 -0.49 0.00 0.00 0.01 0.00 0.00 54.97 54.45 3mb2 s GLU 60 Cb 0.11 -4.75 0.00 0.00 -4.31 0.00 0.00 34.13 25.19 3mb2 s GLU 60 CO 0.38 -2.37 0.00 1.47 0.01 0.00 0.00 175.26 174.75