#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 0.70 -0.04 -0.89 2.96 -1.26 -5.13 118.68 115.02 3mb2 s LEU 2 Ca 0.00 -0.89 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 3mb2 s LEU 2 Cb 0.00 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.31 3mb2 s LEU 2 CO 0.00 -0.37 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.34 3mb2 s LEU 3 N 2.03 1.70 -0.07 -0.68 1.98 -1.26 -2.12 118.68 120.26 3mb2 s LEU 3 Ca 0.04 -0.23 0.03 0.00 -2.89 0.00 0.00 54.13 51.08 3mb2 s LEU 3 Cb -0.16 -0.68 -0.02 0.00 0.66 0.00 0.00 46.19 45.99 3mb2 s LEU 3 CO -0.17 0.05 -0.17 -0.76 -1.89 0.00 0.00 176.35 173.42 3mb2 s LEU 4 N 0.42 2.58 -0.13 -0.68 1.02 0.63 -4.98 118.68 117.54 3mb2 s LEU 4 Ca -0.08 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.78 3mb2 s LEU 4 Cb -0.12 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.58 3mb2 s LEU 4 CO 0.02 0.29 -0.14 0.00 0.02 0.00 0.00 176.35 176.53 3mb2 s ARG 5 N -0.38 2.20 -0.12 1.70 1.70 -1.26 -0.18 118.95 122.61 3mb2 s ARG 5 Ca 0.04 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 54.62 3mb2 s ARG 5 Cb -0.12 -1.96 -0.05 0.00 -0.57 0.00 0.00 34.95 32.25 3mb2 s ARG 5 CO 0.02 -0.15 0.33 -1.50 -1.08 0.00 0.00 175.30 172.92 3mb2 s ILE 6 N 1.26 5.25 -0.11 4.99 1.10 0.42 -4.96 121.20 129.15 3mb2 s ILE 6 Ca -0.01 0.64 0.03 0.00 -0.51 0.00 0.00 60.65 60.80 3mb2 s ILE 6 Cb -0.14 -3.66 -0.01 0.00 0.15 0.00 0.00 42.46 38.81 3mb2 s ILE 6 CO -0.06 0.43 -0.21 0.28 -2.11 0.00 0.00 174.94 173.28 3mb2 s THR 7 N 0.07 2.38 0.10 4.00 -1.32 -1.26 -0.96 115.64 118.65 3mb2 s THR 7 Ca 0.19 -0.91 -0.13 0.00 -1.21 0.00 0.00 61.69 59.64 3mb2 s THR 7 Cb -0.14 -1.94 0.02 0.00 -1.51 0.00 0.00 72.50 68.93 3mb2 s THR 7 CO 0.07 0.55 0.30 0.00 -2.21 0.00 0.00 174.62 173.33 3mb2 s MET 8 N 0.32 0.96 0.25 7.08 0.23 -0.38 -4.98 119.30 122.77 3mb2 s MET 8 Ca -0.16 -0.81 -0.31 0.00 -1.03 0.00 0.00 55.69 53.38 3mb2 s MET 8 Cb -0.17 0.41 -0.12 0.00 -1.53 0.00 0.00 34.83 33.42 3mb2 s MET 8 CO 0.08 -0.34 1.66 1.28 -2.03 0.00 0.00 175.02 175.67 3mb2 n LEU 9 N -0.12 4.20 -4.30 0.18 4.32 -1.26 -1.01 117.00 119.00 3mb2 n LEU 9 Ca -0.16 1.10 -0.38 0.00 -0.02 0.00 0.00 56.01 56.56 3mb2 n LEU 9 Cb 0.63 -1.59 0.03 0.00 -1.62 0.00 0.00 43.42 40.88 3mb2 n LEU 9 CO 0.20 0.18 -0.45 -0.62 -1.22 0.00 0.00 177.39 175.47 3mb2 n GLU 10 N 3.06 0.16 0.00 3.23 1.02 -0.18 -4.45 120.64 123.47 3mb2 n GLU 10 Ca 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3mb2 n GLU 10 Cb 0.36 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3mb2 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mb2 n GLY 11 N 2.32 1.38 3.90 0.62 0.00 -1.26 -4.93 105.19 107.22 3mb2 n GLY 11 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 3.59 0.55 1.61 1.81 -1.26 -5.05 118.95 120.20 3mb2 s ARG 12 Ca 0.00 0.16 -0.17 0.00 -1.72 0.00 0.00 55.73 54.00 3mb2 s ARG 12 Cb 0.00 -2.45 -0.06 0.00 -0.45 0.00 0.00 34.95 32.00 3mb2 s ARG 12 CO 0.00 -0.07 1.04 -1.54 -0.68 0.00 0.00 175.30 174.05 3mb2 s SER 13 N -3.79 6.06 0.30 0.23 1.04 -1.26 -4.89 113.70 111.39 3mb2 s SER 13 Ca 0.47 1.81 0.03 0.00 0.48 0.00 0.00 55.95 58.73 3mb2 s SER 13 Cb -0.10 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 64.23 3mb2 s SER 13 CO 0.39 -0.97 1.61 0.74 0.98 0.00 0.00 173.24 175.99 3mb2 h THR 14 N 0.81 0.17 -0.10 2.02 2.02 -1.99 -0.84 112.91 115.00 3mb2 h THR 14 Ca -0.48 -0.03 -0.22 0.00 0.77 0.00 0.00 66.41 66.45 3mb2 h THR 14 Cb 1.21 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3mb2 h THR 14 CO 0.58 0.02 -0.81 -0.08 0.37 0.00 0.00 175.52 175.60 3mb2 h GLU 15 N 0.10 0.63 -0.26 6.66 4.81 -1.99 -1.62 114.58 122.91 3mb2 h GLU 15 Ca 0.58 -0.55 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3mb2 h GLU 15 Cb 1.22 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3mb2 h GLU 15 CO -0.78 1.16 0.05 1.96 -0.73 0.00 0.00 179.01 180.68 3mb2 h GLN 16 N 0.42 0.14 -0.62 1.92 4.20 -1.62 0.13 115.11 119.68 3mb2 h GLN 16 Ca -0.06 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3mb2 h GLN 16 Cb 1.43 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 3mb2 h GLN 16 CO 0.16 0.09 0.03 0.87 -0.67 0.00 0.00 178.83 179.31 3mb2 h LYS 17 N 0.15 1.07 -0.39 1.46 1.57 -1.09 -1.51 116.57 117.82 3mb2 h LYS 17 Ca 0.12 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3mb2 h LYS 17 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3mb2 h LYS 17 CO -0.16 1.03 -0.01 0.00 -0.57 0.00 0.00 179.45 179.74 3mb2 h ALA 18 N 1.00 1.26 0.02 3.86 0.00 -1.03 -0.66 119.26 123.71 3mb2 h ALA 18 Ca 0.18 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3mb2 h ALA 18 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3mb2 h ALA 18 CO 0.03 0.50 -0.92 1.49 0.00 0.00 0.00 179.25 180.34 3mb2 h GLU 19 N 0.59 0.18 -0.61 0.00 4.57 -0.21 -1.48 114.58 117.62 3mb2 h GLU 19 Ca 0.12 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3mb2 h GLU 19 Cb 0.39 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3mb2 h GLU 19 CO 0.01 0.98 0.14 -0.07 -1.18 0.00 0.00 179.01 178.89 3mb2 h LEU 20 N 0.09 0.94 -0.42 1.64 4.07 -1.01 0.19 115.31 120.82 3mb2 h LEU 20 Ca -0.05 -0.24 -0.11 0.00 0.08 0.00 0.00 57.88 57.57 3mb2 h LEU 20 Cb 1.57 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.05 3mb2 h LEU 20 CO 0.14 0.94 -0.15 0.00 -1.08 0.00 0.00 178.44 178.29 3mb2 h ALA 21 N 1.04 0.59 0.02 1.53 0.00 -0.83 -2.03 119.26 119.57 3mb2 h ALA 21 Ca 0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3mb2 h ALA 21 Cb 0.37 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3mb2 h ALA 21 CO 0.00 0.51 -0.61 0.07 0.00 0.00 0.00 179.25 179.22 3mb2 h ARG 22 N 0.67 0.39 -0.99 0.00 0.11 -1.08 -2.25 114.38 111.23 3mb2 h ARG 22 Ca 0.10 -0.44 0.01 0.00 0.10 0.00 0.00 59.98 59.75 3mb2 h ARG 22 Cb 0.70 0.13 -0.05 0.00 1.11 0.00 0.00 29.97 31.86 3mb2 h ARG 22 CO 0.05 1.11 0.66 0.00 0.10 0.00 0.00 179.97 181.89 3mb2 h ALA 23 N 0.29 1.26 -0.03 0.08 0.00 -0.61 -1.31 119.26 118.93 3mb2 h ALA 23 Ca -0.08 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 3mb2 h ALA 23 Cb 1.34 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mb2 h ALA 23 CO 0.12 0.65 -0.90 -0.07 0.00 0.00 0.00 179.25 179.05 3mb2 h LEU 24 N 1.35 0.65 0.04 0.00 4.07 -1.44 -0.13 115.31 119.84 3mb2 h LEU 24 Ca 0.36 -0.49 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 3mb2 h LEU 24 Cb -0.15 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.39 3mb2 h LEU 24 CO -0.08 1.28 -0.02 0.28 -1.08 0.00 0.00 178.44 178.82 3mb2 h SER 25 N 0.31 -0.04 -0.72 -0.43 0.02 -1.24 -0.78 113.55 110.67 3mb2 h SER 25 Ca -0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3mb2 h SER 25 Cb 1.53 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 3mb2 h SER 25 CO 0.16 0.02 0.39 0.00 -1.14 0.00 0.00 176.83 176.26 3mb2 h ALA 26 N 0.87 0.92 -0.32 3.77 0.00 -1.06 -1.48 119.26 121.95 3mb2 h ALA 26 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3mb2 h ALA 26 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3mb2 h ALA 26 CO 0.01 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.74 3mb2 h ALA 27 N 1.20 1.49 0.08 0.00 0.00 -0.79 -2.21 119.26 119.03 3mb2 h ALA 27 Ca 0.25 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 3mb2 h ALA 27 Cb 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mb2 h ALA 27 CO -0.04 0.37 -1.13 0.00 0.00 0.00 0.00 179.25 178.45 3mb2 h ALA 28 N 1.60 0.16 -0.07 0.00 0.00 -0.59 -1.14 119.26 119.22 3mb2 h ALA 28 Ca 0.11 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 54.27 3mb2 h ALA 28 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3mb2 h ALA 28 CO 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 179.25 179.91 3mb2 h ALA 29 N 0.54 -0.12 0.03 0.00 0.00 -1.19 -0.46 119.26 118.07 3mb2 h ALA 29 Ca -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mb2 h ALA 29 Cb 1.80 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3mb2 h ALA 29 CO 0.20 -0.62 -0.02 0.00 0.00 0.00 0.00 179.25 178.81 3mb2 h ALA 30 N 0.78 -0.05 -0.78 0.00 0.00 -1.38 -0.52 119.26 117.31 3mb2 h ALA 30 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mb2 h ALA 30 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 30 CO -0.20 -0.42 0.45 0.00 0.00 0.00 0.00 179.25 179.08 3mb2 h ALA 31 N 0.69 1.00 -0.11 0.00 0.00 -1.15 -3.07 119.26 116.63 3mb2 h ALA 31 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mb2 h ALA 31 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mb2 h ALA 31 CO 0.01 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.94 3mb2 n PHE 32 N -4.45 0.11 -3.61 0.00 3.72 -0.19 -4.98 117.46 108.05 3mb2 n PHE 32 Ca 0.07 -0.05 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 3mb2 n PHE 32 Cb 0.08 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.36 -2.19 -4.39 4.37 8.00 -0.25 -5.03 116.55 118.42 3mb2 n ASP 33 Ca 0.15 -0.72 -0.29 0.00 0.71 0.00 0.00 54.79 54.64 3mb2 n ASP 33 Cb 0.60 -4.52 -0.13 0.00 -0.02 0.00 0.00 41.12 37.05 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 -3.50 2.24 0.29 2.53 -7.23 -0.91 -5.06 120.40 108.76 3mb2 s VAL 34 Ca 0.10 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 3mb2 s VAL 34 Cb -0.05 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 3mb2 s VAL 34 CO 0.78 0.08 1.51 -2.84 -0.31 0.00 0.00 175.10 174.32 3mb2 s PRO 35 N -2.06 4.19 0.29 4.82 0.02 -1.26 -4.53 135.00 136.47 3mb2 s PRO 35 Ca 0.14 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.65 3mb2 s PRO 35 Cb -0.10 -3.05 0.72 0.00 0.02 0.00 0.00 34.50 32.09 3mb2 s PRO 35 CO 0.06 -0.52 1.68 1.25 -0.33 0.00 0.00 177.00 179.14 3mb2 h LEU 36 N 4.60 0.23 -2.21 -5.54 5.85 -1.93 0.19 115.31 116.49 3mb2 h LEU 36 Ca -0.47 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3mb2 h LEU 36 Cb 1.22 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3mb2 h LEU 36 CO 0.76 -0.05 0.26 0.00 -0.34 0.00 0.00 178.44 179.06 3mb2 h ALA 37 N 1.73 1.68 -0.00 1.25 0.00 -2.00 -0.43 119.26 121.49 3mb2 h ALA 37 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3mb2 h ALA 37 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3mb2 h ALA 37 CO -0.57 -0.34 -0.27 0.39 0.00 0.00 0.00 179.25 178.46 3mb2 n GLU 38 N -3.50 0.59 -2.72 0.00 -0.58 0.68 -4.92 120.64 110.18 3mb2 n GLU 38 Ca 0.01 -0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.02 3mb2 n GLU 38 Cb 0.37 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 3mb2 n GLU 38 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mb2 s VAL 39 N -2.62 4.82 -0.08 2.62 1.01 -0.17 -4.47 120.40 121.51 3mb2 s VAL 39 Ca 0.22 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.18 3mb2 s VAL 39 Cb 0.19 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3mb2 s VAL 39 CO 0.55 0.05 -0.03 -0.13 0.00 0.00 0.00 175.10 175.54 3mb2 s ARG 40 N 1.73 2.90 -0.04 2.72 3.00 -0.90 -5.04 118.95 123.31 3mb2 s ARG 40 Ca 0.48 -0.48 0.03 0.00 0.00 0.00 0.00 55.73 55.76 3mb2 s ARG 40 Cb -0.19 -2.70 0.01 0.00 0.00 0.00 0.00 34.95 32.07 3mb2 s ARG 40 CO 0.20 0.67 -0.11 -1.17 0.00 0.00 0.00 175.30 174.89 3mb2 s LEU 41 N -0.80 1.74 -0.08 2.53 0.20 -1.26 -0.27 118.68 120.75 3mb2 s LEU 41 Ca 0.12 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.73 3mb2 s LEU 41 Cb -0.11 -0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.95 3mb2 s LEU 41 CO 0.02 0.07 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.38 3mb2 s ILE 42 N 0.32 3.11 -0.13 6.68 1.09 0.75 -4.96 121.20 128.06 3mb2 s ILE 42 Ca -0.06 -0.68 -0.02 0.00 -1.10 0.00 0.00 60.65 58.79 3mb2 s ILE 42 Cb -0.11 -2.26 -0.03 0.00 -1.06 0.00 0.00 42.46 39.01 3mb2 s ILE 42 CO 0.01 0.56 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.73 3mb2 s ILE 43 N -0.30 3.76 -0.08 2.92 1.01 -1.26 -0.44 121.20 126.81 3mb2 s ILE 43 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3mb2 s ILE 43 Cb -0.13 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3mb2 s ILE 43 CO 0.03 0.52 -0.16 -1.10 0.00 0.00 0.00 174.94 174.22 3mb2 s GLN 44 N 0.09 2.18 0.09 2.79 -1.52 -0.13 -4.97 119.66 118.18 3mb2 s GLN 44 Ca -0.01 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 52.84 3mb2 s GLN 44 Cb -0.14 -1.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.89 3mb2 s GLN 44 CO 0.03 0.08 0.13 -1.21 -0.25 0.00 0.00 175.29 174.07 3mb2 s GLU 45 N 0.54 3.05 -0.01 2.91 2.02 -1.26 -1.25 118.70 124.70 3mb2 s GLU 45 Ca -0.16 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3mb2 s GLU 45 Cb -0.17 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 3mb2 s GLU 45 CO 0.06 0.56 -0.09 0.08 0.02 0.00 0.00 175.26 175.89 3mb2 s VAL 46 N -1.50 0.73 0.70 2.63 1.01 -0.18 -4.87 120.40 118.92 3mb2 s VAL 46 Ca 0.31 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 3mb2 s VAL 46 Cb -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3mb2 s VAL 46 CO 0.24 0.22 1.11 -2.16 0.00 0.00 0.00 175.10 174.50 3mb2 s PRO 47 N -0.06 2.58 0.56 2.72 0.04 -1.26 -1.02 135.00 138.57 3mb2 s PRO 47 Ca 0.01 1.32 0.29 0.00 0.04 0.00 0.00 61.00 62.66 3mb2 s PRO 47 Cb -0.05 -1.93 1.47 0.00 0.04 0.00 0.00 34.50 34.03 3mb2 s PRO 47 CO -0.00 -1.41 1.92 -1.00 0.04 0.00 0.00 177.00 176.54 3mb2 h PRO 48 N -0.40 0.00 0.00 0.56 0.13 -1.93 0.28 132.00 130.64 3mb2 h PRO 48 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3mb2 h PRO 48 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mb2 h PRO 48 CO 0.53 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 3mb2 n THR 49 N -4.01 0.45 -0.21 1.56 -2.24 -1.26 -2.01 114.28 106.55 3mb2 n THR 49 Ca 0.11 -0.14 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 3mb2 n THR 49 Cb 0.73 -0.62 0.26 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.01 0.75 -4.37 4.78 8.25 0.09 -4.83 115.22 117.88 3mb2 n HIS 50 Ca 0.06 -0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 56.77 3mb2 n HIS 50 Cb 0.38 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.06 2.07 -0.03 4.41 -0.11 -1.20 -4.91 118.94 118.11 3mb2 s TRP 51 Ca 0.40 -1.02 0.05 0.00 1.22 0.00 0.00 56.10 56.74 3mb2 s TRP 51 Cb 0.21 -1.49 -0.01 0.00 -1.50 0.00 0.00 33.47 30.68 3mb2 s TRP 51 CO 0.28 -0.53 -0.18 0.99 -4.62 0.00 0.00 176.95 172.89 3mb2 s THR 52 N 1.09 1.44 -0.04 5.86 2.01 -1.26 -1.29 115.64 123.45 3mb2 s THR 52 Ca -0.04 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.22 3mb2 s THR 52 Cb -0.14 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.18 3mb2 s THR 52 CO -0.04 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.59 3mb2 s VAL 53 N -0.23 0.39 -1.31 3.82 1.01 -0.78 -4.78 120.40 118.53 3mb2 s VAL 53 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3mb2 s VAL 53 Cb -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3mb2 s VAL 53 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3mb2 n GLY 54 N 4.02 -0.41 1.90 4.51 0.00 -1.26 -1.62 105.19 112.34 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 -0.85 2.05 3.55 -0.02 0.00 -1.26 -5.03 105.19 103.63 3mb2 n GLY 55 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.46 4.40 0.73 -0.61 2.07 -0.64 -5.03 121.20 119.66 3mb2 s ILE 56 Ca 0.00 -0.17 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 3mb2 s ILE 56 Cb 0.00 -2.98 0.03 0.00 0.13 0.00 0.00 42.46 39.64 3mb2 s ILE 56 CO 0.00 0.45 1.22 -1.54 -1.91 0.00 0.00 174.94 173.15 3mb2 n SER 57 N 3.82 1.44 0.23 4.50 3.41 -1.26 -1.86 113.62 123.90 3mb2 n SER 57 Ca -0.17 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 3mb2 n SER 57 Cb 0.52 -1.52 0.54 0.00 -0.26 0.00 0.00 64.21 63.50 3mb2 n SER 57 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3mb2 h MET 58 N -0.19 0.00 -0.11 4.33 2.86 -0.56 -2.69 114.93 118.57 3mb2 h MET 58 Ca -0.48 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.05 3mb2 h MET 58 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3mb2 h MET 58 CO 0.49 0.18 -0.42 0.00 1.06 0.00 0.00 176.91 178.23 3mb2 h ALA 59 N 1.82 1.10 -0.11 6.32 0.00 -1.78 -3.10 119.26 123.51 3mb2 h ALA 59 Ca -0.00 -0.41 -0.49 0.00 0.00 0.00 0.00 54.91 54.00 3mb2 h ALA 59 Cb 0.34 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 59 CO 0.02 0.59 1.53 0.39 0.00 0.00 0.00 179.25 181.79 3mb2 n GLU 60 N -4.02 0.99 0.00 0.00 -0.58 -1.01 -5.05 120.64 110.96 3mb2 n GLU 60 Ca -0.02 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 3mb2 n GLU 60 Cb 0.48 -3.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.24 3mb2 n GLU 60 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12