#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtm n SER 2 N 0.00 -6.59 -0.55 6.12 7.64 -1.26 -4.96 113.62 114.02 2jtm n SER 2 Ca 0.00 1.01 0.13 0.00 1.01 0.00 0.00 58.87 61.02 2jtm n SER 2 Cb 0.00 -4.31 0.27 0.00 -1.01 0.00 0.00 64.21 59.15 2jtm n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jtm n SER 3 N 0.43 1.89 0.00 6.43 2.88 -1.26 -4.95 113.62 119.04 2jtm n SER 3 Ca 0.01 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 2jtm n SER 3 Cb 0.04 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jtm n GLY 4 N 1.31 2.93 3.81 0.46 0.00 -1.26 -5.02 105.19 107.42 2jtm n GLY 4 Ca 0.14 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2jtm n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm s LYS 5 N 0.00 2.97 -0.04 1.61 1.02 -1.26 -5.13 119.74 118.92 2jtm s LYS 5 Ca 0.00 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2jtm s LYS 5 Cb 0.00 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2jtm s LYS 5 CO 0.00 0.54 0.10 0.21 -0.92 0.00 0.00 175.35 175.28 2jtm s LYS 6 N -2.70 0.08 0.09 1.68 2.20 -1.26 -4.93 119.74 114.90 2jtm s LYS 6 Ca 0.31 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 2jtm s LYS 6 Cb -0.11 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.07 2jtm s LYS 6 CO 0.23 -0.09 1.13 -1.25 -0.36 0.00 0.00 175.35 175.02 2jtm s PRO 7 N 0.58 4.50 0.08 4.03 0.04 -1.26 -4.13 135.00 138.84 2jtm s PRO 7 Ca -0.04 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2jtm s PRO 7 Cb -0.06 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2jtm s PRO 7 CO -0.02 -0.12 -0.18 0.54 0.04 0.00 0.00 177.00 177.25 2jtm s VAL 8 N 0.64 2.79 -0.37 -0.36 0.11 0.26 -4.82 120.40 118.64 2jtm s VAL 8 Ca 0.55 -1.36 -0.28 0.00 -2.93 0.00 0.00 61.98 57.96 2jtm s VAL 8 Cb -0.28 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2jtm s VAL 8 CO 0.31 0.22 1.76 -0.75 -3.33 0.00 0.00 175.10 173.31 2jtm s LYS 9 N -1.78 3.28 0.04 1.54 2.20 -1.26 -1.13 119.74 122.61 2jtm s LYS 9 Ca 0.16 1.27 0.01 0.00 -0.36 0.00 0.00 55.97 57.05 2jtm s LYS 9 Cb -0.10 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 31.99 2jtm s LYS 9 CO 0.08 -1.93 -0.05 0.54 -0.36 0.00 0.00 175.35 173.62 2jtm s VAL 10 N 6.99 0.33 0.00 4.02 0.11 -0.25 -4.93 120.40 126.67 2jtm s VAL 10 Ca 0.76 -1.14 -0.12 0.00 -2.93 0.00 0.00 61.98 58.54 2jtm s VAL 10 Cb -0.20 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2jtm s VAL 10 CO 0.32 -0.53 0.37 -0.54 -3.33 0.00 0.00 175.10 171.39 2jtm s LYS 11 N -1.92 3.81 0.58 1.54 1.02 -1.26 -0.94 119.74 122.58 2jtm s LYS 11 Ca -0.09 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.19 2jtm s LYS 11 Cb -0.07 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2jtm s LYS 11 CO -0.02 0.68 0.82 0.95 -0.92 0.00 0.00 175.35 176.86 2jtm s THR 12 N -1.14 2.55 -0.66 2.17 -4.23 0.05 -4.97 115.64 109.40 2jtm s THR 12 Ca 0.25 -0.66 0.19 0.00 -1.18 0.00 0.00 61.69 60.29 2jtm s THR 12 Cb -0.15 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 70.99 2jtm s THR 12 CO 0.13 0.00 1.59 -2.65 -0.54 0.00 0.00 174.62 173.15 2jtm n PRO 13 N -2.44 0.12 0.21 3.99 -0.02 -1.26 -2.21 135.00 133.39 2jtm n PRO 13 Ca 0.10 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2jtm n PRO 13 Cb 0.60 -1.74 0.19 0.00 -0.02 0.00 0.00 33.50 32.53 2jtm n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtm h ALA 14 N 2.31 0.96 0.00 3.55 0.00 -2.03 -3.47 119.26 120.57 2jtm h ALA 14 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jtm h ALA 14 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jtm h ALA 14 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2jtm n GLY 15 N 1.03 2.21 3.88 0.00 0.00 -0.94 -5.07 105.19 106.29 2jtm n GLY 15 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2jtm n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtm s LYS 16 N -0.62 3.66 0.02 1.61 -2.85 -1.26 -4.82 119.74 115.49 2jtm s LYS 16 Ca 0.00 0.53 0.04 0.00 -1.00 0.00 0.00 55.97 55.55 2jtm s LYS 16 Cb 0.00 -2.25 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 2jtm s LYS 16 CO 0.00 -0.29 -0.09 -2.00 0.10 0.00 0.00 175.35 173.06 2jtm s GLU 17 N -4.60 2.41 0.05 1.78 2.12 -1.26 -0.77 118.70 118.43 2jtm s GLU 17 Ca 0.52 -0.81 -0.21 0.00 0.36 0.00 0.00 54.97 54.83 2jtm s GLU 17 Cb -0.10 -2.42 0.05 0.00 0.26 0.00 0.00 34.13 31.92 2jtm s GLU 17 CO 0.43 0.58 0.49 0.00 -0.54 0.00 0.00 175.26 176.22 2jtm s ALA 18 N -1.01 -1.24 -0.55 6.30 0.00 -0.11 -4.97 121.76 120.18 2jtm s ALA 18 Ca 0.17 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 2jtm s ALA 18 Cb -0.11 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.44 2jtm s ALA 18 CO 0.08 -0.50 0.83 -1.21 0.00 0.00 0.00 175.76 174.96 2jtm s GLU 19 N -2.49 3.23 0.09 0.00 2.02 -1.26 -1.09 118.70 119.20 2jtm s GLU 19 Ca -0.05 -0.57 0.09 0.00 0.02 0.00 0.00 54.97 54.46 2jtm s GLU 19 Cb -0.01 -4.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 2jtm s GLU 19 CO -0.02 -1.43 -0.20 -0.51 0.02 0.00 0.00 175.26 173.12 2jtm s LEU 20 N 3.47 2.58 -0.21 1.80 1.43 -0.29 -4.77 118.68 122.70 2jtm s LEU 20 Ca 0.24 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 2jtm s LEU 20 Cb -0.16 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2jtm s LEU 20 CO 0.15 0.21 0.32 0.54 0.23 0.00 0.00 176.35 177.80 2jtm s VAL 21 N -1.05 5.26 0.32 -1.59 0.11 -1.26 -0.58 120.40 121.61 2jtm s VAL 21 Ca 0.16 0.54 -0.28 0.00 -2.93 0.00 0.00 61.98 59.47 2jtm s VAL 21 Cb -0.10 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 2jtm s VAL 21 CO 0.08 0.30 1.08 -2.16 -3.33 0.00 0.00 175.10 171.06 2jtm s PRO 22 N 1.11 4.48 0.09 1.54 0.04 -1.26 -4.61 135.00 136.39 2jtm s PRO 22 Ca 0.15 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 2jtm s PRO 22 Cb -0.14 -2.97 -0.16 0.00 0.04 0.00 0.00 34.50 31.27 2jtm s PRO 22 CO 0.06 0.10 1.29 0.93 0.04 0.00 0.00 177.00 179.43 2jtm h GLU 23 N 3.37 0.75 -3.35 4.56 4.39 -0.66 -3.45 114.58 120.19 2jtm h GLU 23 Ca -0.47 -0.61 -0.15 0.00 0.34 0.00 0.00 59.36 58.48 2jtm h GLU 23 Cb 1.21 0.12 -0.22 0.00 -0.10 0.00 0.00 28.75 29.77 2jtm h GLU 23 CO 0.65 1.22 -0.45 -1.59 -1.16 0.00 0.00 179.01 177.68 2jtm s LYS 24 N -3.76 0.45 0.04 2.33 -2.85 -1.25 -5.01 119.74 109.69 2jtm s LYS 24 Ca -0.11 -0.18 0.06 0.00 -1.00 0.00 0.00 55.97 54.74 2jtm s LYS 24 Cb 0.08 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2jtm s LYS 24 CO 0.89 -0.10 -0.19 0.14 0.10 0.00 0.00 175.35 176.19 2jtm s VAL 25 N -0.98 1.49 0.05 1.79 -7.23 -1.26 -1.12 120.40 113.13 2jtm s VAL 25 Ca -0.11 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 2jtm s VAL 25 Cb -0.06 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.58 2jtm s VAL 25 CO 0.02 0.16 0.19 -1.66 -0.31 0.00 0.00 175.10 173.49 2jtm s TRP 26 N -0.79 0.09 0.16 2.82 -2.14 -0.13 -5.01 118.94 113.95 2jtm s TRP 26 Ca 0.06 -0.36 0.09 0.00 2.66 0.00 0.00 56.10 58.55 2jtm s TRP 26 Cb -0.08 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.20 2jtm s TRP 26 CO 0.01 -0.45 -0.15 0.00 -2.66 0.00 0.00 176.95 173.70 2jtm s ALA 27 N -2.86 2.77 -0.59 2.67 0.00 -1.26 -0.48 121.76 122.02 2jtm s ALA 27 Ca -0.03 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.50 2jtm s ALA 27 Cb 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 23.12 22.65 2jtm s ALA 27 CO -0.06 0.50 0.36 -0.51 0.00 0.00 0.00 175.76 176.05 2jtm s LEU 28 N -2.59 4.40 -0.37 0.00 1.02 0.91 -4.97 118.68 117.09 2jtm s LEU 28 Ca 0.22 -3.34 0.01 0.00 0.02 0.00 0.00 54.13 51.03 2jtm s LEU 28 Cb -0.09 -1.59 0.12 0.00 0.02 0.00 0.00 46.19 44.65 2jtm s LEU 28 CO 0.12 -0.17 0.17 0.00 0.02 0.00 0.00 176.35 176.49 2jtm s ALA 29 N -0.74 1.74 0.11 4.21 0.00 -1.26 -2.84 121.76 122.98 2jtm s ALA 29 Ca 0.20 -2.08 -0.27 0.00 0.00 0.00 0.00 51.96 49.82 2jtm s ALA 29 Cb -0.17 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 2jtm s ALA 29 CO -0.07 -1.88 0.83 -2.14 0.00 0.00 0.00 175.76 172.50 2jtm s PRO 30 N 1.04 4.59 -0.14 0.00 0.02 -1.24 -4.93 135.00 134.34 2jtm s PRO 30 Ca 0.14 1.21 -0.29 0.00 0.02 0.00 0.00 61.00 62.08 2jtm s PRO 30 Cb -0.21 -3.33 -0.06 0.00 0.02 0.00 0.00 34.50 30.92 2jtm s PRO 30 CO -0.12 0.37 2.09 0.15 -0.33 0.00 0.00 177.00 179.17 2jtm s LYS 31 N -0.46 3.50 0.00 5.54 3.01 -1.26 -0.85 119.74 129.22 2jtm s LYS 31 Ca 0.40 2.19 0.00 0.00 -1.01 0.00 0.00 55.97 57.55 2jtm s LYS 31 Cb -0.22 -4.28 0.00 0.00 -1.01 0.00 0.00 37.83 32.31 2jtm s LYS 31 CO 0.26 -1.68 0.00 0.41 0.51 0.00 0.00 175.35 174.85 2jtm n GLY 32 N 5.29 0.60 0.59 -3.33 0.00 -1.26 -4.96 105.19 102.13 2jtm n GLY 32 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jtm n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm n ARG 33 N -2.00 0.00 -4.20 1.61 1.74 -0.03 -5.14 116.66 108.64 2jtm n ARG 33 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2jtm n ARG 33 Cb 0.00 -0.06 -0.08 0.00 -1.02 0.00 0.00 32.46 31.30 2jtm n ARG 33 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2jtm s LYS 34 N -0.72 1.54 -0.30 5.56 -0.14 -1.17 -4.99 119.74 119.52 2jtm s LYS 34 Ca 0.00 -1.76 0.18 0.00 -1.36 0.00 0.00 55.97 53.03 2jtm s LYS 34 Cb 0.00 0.33 0.46 0.00 -1.68 0.00 0.00 37.83 36.95 2jtm s LYS 34 CO 0.00 -0.57 1.24 0.41 -0.76 0.00 0.00 175.35 175.67 2jtm n GLY 35 N -0.45 1.78 3.83 -3.33 0.00 -1.25 -3.70 105.19 102.07 2jtm n GLY 35 Ca 0.04 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2jtm n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jtm s VAL 36 N -2.22 4.54 0.03 1.61 -7.23 -1.13 -4.80 120.40 111.21 2jtm s VAL 36 Ca 0.21 1.20 0.06 0.00 -1.81 0.00 0.00 61.98 61.64 2jtm s VAL 36 Cb 0.38 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 2jtm s VAL 36 CO -0.06 -0.24 -0.17 -0.54 -0.31 0.00 0.00 175.10 173.78 2jtm s LYS 37 N -3.05 1.16 0.01 4.82 1.02 -1.26 -0.06 119.74 122.38 2jtm s LYS 37 Ca 0.57 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2jtm s LYS 37 Cb -0.10 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2jtm s LYS 37 CO 0.16 0.31 -0.06 0.42 -0.92 0.00 0.00 175.35 175.25 2jtm s ILE 38 N -0.76 0.45 0.06 2.17 1.01 0.37 0.48 121.20 124.99 2jtm s ILE 38 Ca 0.05 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2jtm s ILE 38 Cb -0.08 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2jtm s ILE 38 CO 0.01 -0.08 -0.13 -0.83 0.00 0.00 0.00 174.94 173.92 2jtm s GLY 39 N -0.68 0.77 -0.25 6.18 0.00 -0.27 -0.95 107.32 112.13 2jtm s GLY 39 Ca -0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 2jtm s GLY 39 CO 0.00 -0.93 0.25 -2.27 0.00 0.00 0.00 173.10 170.15 2jtm s LEU 40 N -1.55 4.08 0.45 0.66 2.96 -0.28 -1.03 118.68 123.97 2jtm s LEU 40 Ca -0.03 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2jtm s LEU 40 Cb -0.09 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2jtm s LEU 40 CO 0.02 -0.04 0.05 -0.36 -1.32 0.00 0.00 176.35 174.70 2jtm s PHE 41 N 1.49 2.25 -0.06 5.38 0.08 0.12 0.16 117.98 127.40 2jtm s PHE 41 Ca 0.11 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2jtm s PHE 41 Cb -0.15 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 2jtm s PHE 41 CO 0.08 0.28 -0.03 0.21 -0.10 0.00 0.00 175.22 175.66 2jtm s LYS 42 N -3.83 0.77 -0.02 0.44 2.20 -1.26 -0.59 119.74 117.45 2jtm s LYS 42 Ca 0.26 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2jtm s LYS 42 Cb 0.05 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.43 2jtm s LYS 42 CO 0.14 -0.17 1.05 0.34 -0.36 0.00 0.00 175.35 176.34 2jtm s ASP 43 N 1.33 7.26 0.15 1.43 2.15 0.59 -4.93 116.67 124.64 2jtm s ASP 43 Ca -0.05 1.71 0.22 0.00 0.43 0.00 0.00 52.55 54.86 2jtm s ASP 43 Cb -0.13 -2.57 0.88 0.00 -0.30 0.00 0.00 42.92 40.79 2jtm s ASP 43 CO -0.02 -0.37 1.67 -0.81 -0.17 0.00 0.00 175.17 175.47 2jtm n PRO 44 N 4.28 0.13 -0.12 4.34 -0.04 -1.26 -1.25 135.00 141.08 2jtm n PRO 44 Ca 0.08 0.30 -0.23 0.00 -0.04 0.00 0.00 63.50 63.60 2jtm n PRO 44 Cb 0.49 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2jtm n PRO 44 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jtm n GLU 45 N -1.95 0.57 0.08 0.54 2.13 -1.26 -4.58 120.64 116.16 2jtm n GLU 45 Ca 0.04 0.32 -0.16 0.00 0.66 0.00 0.00 57.16 58.02 2jtm n GLU 45 Cb 0.25 -1.53 -0.14 0.00 0.27 0.00 0.00 31.44 30.29 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2jtm h THR 46 N -1.00 1.29 0.00 6.31 1.35 -2.00 -3.48 112.91 115.38 2jtm h THR 46 Ca -0.46 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 2jtm h THR 46 Cb 1.37 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 2jtm h THR 46 CO -0.28 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2jtm n GLY 47 N 1.61 0.73 3.86 5.82 0.00 -0.38 -5.06 105.19 111.77 2jtm n GLY 47 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jtm n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtm s LYS 48 N -0.73 3.90 -0.07 1.61 -2.85 -1.25 -4.74 119.74 115.61 2jtm s LYS 48 Ca 0.00 0.47 -0.13 0.00 -1.00 0.00 0.00 55.97 55.31 2jtm s LYS 48 Cb 0.00 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.18 2jtm s LYS 48 CO 0.00 0.24 0.33 0.71 0.10 0.00 0.00 175.35 176.73 2jtm s TYR 49 N -1.90 3.62 -0.05 1.78 1.51 -1.26 -0.30 117.35 120.74 2jtm s TYR 49 Ca 0.51 0.80 -0.05 0.00 -1.01 0.00 0.00 57.07 57.31 2jtm s TYR 49 Cb -0.11 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2jtm s TYR 49 CO 0.19 0.51 0.14 -0.59 -1.11 0.00 0.00 175.55 174.70 2jtm s PHE 50 N -0.51 -0.16 -0.28 2.71 -0.71 0.24 -4.96 117.98 114.32 2jtm s PHE 50 Ca 0.20 0.38 -0.11 0.00 -1.04 0.00 0.00 56.93 56.37 2jtm s PHE 50 Cb -0.15 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.67 2jtm s PHE 50 CO 0.09 -0.08 0.18 -0.98 -1.34 0.00 0.00 175.22 173.10 2jtm s ARG 51 N 0.08 3.92 0.03 1.99 1.70 -1.26 0.12 118.95 125.54 2jtm s ARG 51 Ca -0.00 -0.34 0.06 0.00 -0.47 0.00 0.00 55.73 54.98 2jtm s ARG 51 Cb -0.01 -3.64 -0.02 0.00 -0.57 0.00 0.00 34.95 30.71 2jtm s ARG 51 CO 0.00 -0.18 -0.17 -1.58 -1.08 0.00 0.00 175.30 172.29 2jtm s HIS 52 N 1.75 1.49 0.35 5.89 2.46 -0.20 -4.92 115.29 122.12 2jtm s HIS 52 Ca 0.07 -0.34 -0.27 0.00 0.47 0.00 0.00 55.06 54.98 2jtm s HIS 52 Cb -0.16 -0.90 -0.09 0.00 -0.13 0.00 0.00 32.58 31.29 2jtm s HIS 52 CO 0.11 0.05 1.24 -1.59 -2.47 0.00 0.00 174.74 172.08 2jtm s LYS 53 N -1.00 4.25 0.58 2.88 0.00 -1.26 -1.11 119.74 124.07 2jtm s LYS 53 Ca 0.05 2.06 0.02 0.00 0.00 0.00 0.00 55.97 58.09 2jtm s LYS 53 Cb -0.08 -2.93 0.05 0.00 0.00 0.00 0.00 37.83 34.87 2jtm s LYS 53 CO 0.01 -0.22 0.81 -0.51 0.00 0.00 0.00 175.35 175.43 2jtm s LEU 54 N -2.03 3.23 0.34 2.77 1.43 0.18 -4.85 118.68 119.74 2jtm s LEU 54 Ca 0.52 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 2jtm s LEU 54 Cb -0.36 -2.59 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 2jtm s LEU 54 CO 0.47 -1.28 1.30 -2.84 0.23 0.00 0.00 176.35 174.23 2jtm s PRO 55 N -4.80 4.30 0.52 1.29 0.02 -1.26 -4.49 135.00 130.57 2jtm s PRO 55 Ca 0.59 2.19 0.23 0.00 0.02 0.00 0.00 61.00 64.04 2jtm s PRO 55 Cb -0.09 -3.02 1.40 0.00 0.02 0.00 0.00 34.50 32.81 2jtm s PRO 55 CO 0.39 -0.23 2.10 -0.44 -0.33 0.00 0.00 177.00 178.49 2jtm h ASP 56 N 3.26 0.00 -0.02 2.53 5.19 -1.92 -1.28 116.42 124.18 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2jtm h ASP 56 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2jtm h ASP 56 CO 0.65 0.10 0.00 0.47 -3.12 0.00 0.00 179.24 177.34 2jtm n ASP 57 N -3.94 1.23 -4.69 6.45 9.92 -1.26 -4.86 116.55 119.39 2jtm n ASP 57 Ca -0.02 -1.42 -0.42 0.00 -0.53 0.00 0.00 54.79 52.39 2jtm n ASP 57 Cb 0.19 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jtm s TYR 58 N -1.99 3.55 -0.50 1.24 5.04 -0.48 -4.98 117.35 119.23 2jtm s TYR 58 Ca 0.39 1.60 -0.28 0.00 -2.44 0.00 0.00 57.07 56.34 2jtm s TYR 58 Cb 0.21 -3.16 0.02 0.00 0.35 0.00 0.00 41.96 39.38 2jtm s TYR 58 CO 0.34 -0.16 1.34 -2.14 -1.34 0.00 0.00 175.55 173.58 2jtm s PRO 59 N 1.72 3.50 0.00 4.97 0.02 -1.26 -4.97 135.00 138.99 2jtm s PRO 59 Ca 0.49 0.62 0.13 0.00 0.02 0.00 0.00 61.00 62.25 2jtm s PRO 59 Cb -0.19 -4.04 0.10 0.00 0.02 0.00 0.00 34.50 30.40 2jtm s PRO 59 CO 0.20 -1.68 0.91 0.44 -0.33 0.00 0.00 177.00 176.54