#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 0.08 0.06 6.12 7.64 -1.26 -4.82 113.62 121.44 2jtm n SER 2 Ca 0.00 -2.03 -0.08 0.00 1.01 0.00 0.00 58.87 57.77 2jtm n SER 2 Cb 0.00 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 2jtm n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2jtm h SER 3 N 0.01 0.04 0.00 6.43 4.64 -2.10 -3.49 113.55 119.07 2jtm h SER 3 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2jtm h SER 3 Cb 1.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2jtm h SER 3 CO 0.00 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.60 2jtm n GLY 4 N 1.37 1.03 1.58 -0.77 0.00 -1.26 -5.07 105.19 102.07 2jtm n GLY 4 Ca -0.01 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.05 2jtm n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jtm n LYS 5 N 3.47 -1.63 -3.85 1.61 5.02 -1.26 -4.84 118.16 116.68 2jtm n LYS 5 Ca 0.00 1.07 -0.30 0.00 -2.02 0.00 0.00 58.31 57.07 2jtm n LYS 5 Cb 0.00 -1.99 -0.15 0.00 -0.02 0.00 0.00 35.03 32.87 2jtm n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jtm s LYS 6 N -1.57 1.16 0.55 1.97 -0.14 -1.26 -5.13 119.74 115.32 2jtm s LYS 6 Ca 0.00 -1.02 -0.13 0.00 -1.36 0.00 0.00 55.97 53.47 2jtm s LYS 6 Cb 0.00 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 2jtm s LYS 6 CO 0.00 -0.76 0.97 -1.25 -0.76 0.00 0.00 175.35 173.55 2jtm s PRO 7 N 1.49 3.76 0.01 -1.68 0.04 -1.26 -4.32 135.00 133.03 2jtm s PRO 7 Ca 0.02 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 2jtm s PRO 7 Cb -0.18 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 2jtm s PRO 7 CO -0.12 -0.37 0.03 0.54 0.04 0.00 0.00 177.00 177.12 2jtm s VAL 8 N -2.85 0.09 -0.33 -0.36 0.11 0.24 -4.92 120.40 112.38 2jtm s VAL 8 Ca 0.56 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.59 2jtm s VAL 8 Cb -0.10 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2jtm s VAL 8 CO 0.42 -0.40 1.58 -0.54 -3.33 0.00 0.00 175.10 172.83 2jtm s LYS 9 N -1.25 3.57 -0.02 1.54 1.02 -1.26 -1.00 119.74 122.34 2jtm s LYS 9 Ca -0.14 1.29 0.04 0.00 0.02 0.00 0.00 55.97 57.18 2jtm s LYS 9 Cb -0.08 -4.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.15 2jtm s LYS 9 CO -0.00 -1.56 -0.13 0.54 -0.92 0.00 0.00 175.35 173.28 2jtm s VAL 10 N 5.77 1.06 -0.16 3.17 0.11 0.14 -4.91 120.40 125.58 2jtm s VAL 10 Ca 0.69 -0.55 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 2jtm s VAL 10 Cb -0.19 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2jtm s VAL 10 CO 0.31 0.31 0.88 -1.59 -3.33 0.00 0.00 175.10 171.68 2jtm s LYS 11 N -0.12 4.32 0.48 1.54 -2.85 -1.26 -1.86 119.74 119.98 2jtm s LYS 11 Ca 0.01 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.09 2jtm s LYS 11 Cb -0.07 -3.57 0.01 0.00 -2.06 0.00 0.00 37.83 32.13 2jtm s LYS 11 CO 0.00 -0.35 0.70 0.95 0.10 0.00 0.00 175.35 176.76 2jtm s THR 12 N 2.20 3.69 0.52 3.79 -4.23 0.19 -4.97 115.64 116.84 2jtm s THR 12 Ca 0.40 -0.51 0.24 0.00 -1.18 0.00 0.00 61.69 60.64 2jtm s THR 12 Cb -0.17 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.60 2jtm s THR 12 CO 0.13 -0.27 2.16 -0.65 -0.54 0.00 0.00 174.62 175.45 2jtm h PRO 13 N 0.30 0.00 0.00 3.99 0.11 -1.96 -1.86 132.00 132.58 2jtm h PRO 13 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2jtm h PRO 13 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2jtm h PRO 13 CO 0.56 0.05 -0.30 0.00 -0.21 0.00 0.00 178.00 178.10 2jtm h ALA 14 N 1.95 1.09 0.00 -0.75 0.00 -1.98 -3.47 119.26 116.11 2jtm h ALA 14 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jtm h ALA 14 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jtm h ALA 14 CO 0.01 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2jtm n GLY 15 N -0.02 1.47 3.93 0.00 0.00 -0.70 -5.10 105.19 104.78 2jtm n GLY 15 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 3.38 -0.35 1.61 0.00 -1.26 -4.81 119.74 118.31 2jtm s LYS 16 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 55.97 55.33 2jtm s LYS 16 Cb 0.00 -2.94 0.07 0.00 0.00 0.00 0.00 37.83 34.97 2jtm s LYS 16 CO 0.00 0.53 0.09 -2.00 0.00 0.00 0.00 175.35 173.97 2jtm s GLU 17 N -3.15 2.28 0.30 1.78 2.12 -1.26 -0.63 118.70 120.14 2jtm s GLU 17 Ca 0.34 -1.47 0.07 0.00 0.36 0.00 0.00 54.97 54.27 2jtm s GLU 17 Cb -0.11 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 2jtm s GLU 17 CO 0.28 -0.80 -0.06 0.00 -0.54 0.00 0.00 175.26 174.13 2jtm s ALA 18 N 1.23 2.49 -0.60 6.30 0.00 -0.78 -4.79 121.76 125.61 2jtm s ALA 18 Ca 0.01 -1.96 -0.26 0.00 0.00 0.00 0.00 51.96 49.75 2jtm s ALA 18 Cb -0.21 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.10 2jtm s ALA 18 CO -0.02 -0.05 1.10 -1.21 0.00 0.00 0.00 175.76 175.59 2jtm s GLU 19 N -3.71 3.38 0.22 0.00 8.01 -1.26 -0.68 118.70 124.66 2jtm s GLU 19 Ca 0.30 -0.07 0.08 0.00 0.01 0.00 0.00 54.97 55.29 2jtm s GLU 19 Cb 0.04 -4.06 -0.04 0.00 -4.31 0.00 0.00 34.13 25.75 2jtm s GLU 19 CO 0.13 -1.68 0.02 -0.51 0.01 0.00 0.00 175.26 173.22 2jtm s LEU 20 N 4.64 3.31 -0.15 1.80 1.43 -0.17 -4.77 118.68 124.77 2jtm s LEU 20 Ca 0.36 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2jtm s LEU 20 Cb -0.10 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2jtm s LEU 20 CO 0.21 0.04 -0.07 0.54 0.23 0.00 0.00 176.35 177.31 2jtm s VAL 21 N -1.98 3.59 -0.09 -1.59 0.11 -1.26 -0.59 120.40 118.59 2jtm s VAL 21 Ca 0.29 -0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 2jtm s VAL 21 Cb -0.08 -2.56 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2jtm s VAL 21 CO 0.20 0.50 1.23 -2.16 -3.33 0.00 0.00 175.10 171.53 2jtm s PRO 22 N 0.46 4.31 0.17 1.54 0.04 -1.26 -4.70 135.00 135.56 2jtm s PRO 22 Ca -0.05 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2jtm s PRO 22 Cb -0.15 -3.63 0.05 0.00 0.04 0.00 0.00 34.50 30.81 2jtm s PRO 22 CO 0.03 -0.54 1.43 0.93 0.04 0.00 0.00 177.00 178.89 2jtm h GLU 23 N 7.72 0.42 -4.37 4.56 4.39 -1.10 -3.44 114.58 122.77 2jtm h GLU 23 Ca -0.32 -0.35 -0.37 0.00 0.34 0.00 0.00 59.36 58.66 2jtm h GLU 23 Cb 1.14 0.07 -0.30 0.00 -0.10 0.00 0.00 28.75 29.56 2jtm h GLU 23 CO 0.91 0.98 -0.77 0.21 -1.16 0.00 0.00 179.01 179.19 2jtm s LYS 24 N -3.61 0.65 -0.02 2.33 2.20 -1.25 -4.97 119.74 115.06 2jtm s LYS 24 Ca -0.06 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 2jtm s LYS 24 Cb 0.10 -0.64 -0.01 0.00 -1.51 0.00 0.00 37.83 35.77 2jtm s LYS 24 CO 0.84 0.08 -0.17 0.14 -0.36 0.00 0.00 175.35 175.88 2jtm s VAL 25 N 0.15 1.38 0.05 4.02 -7.23 -1.26 -0.49 120.40 117.02 2jtm s VAL 25 Ca -0.02 -0.74 -0.13 0.00 -1.81 0.00 0.00 61.98 59.29 2jtm s VAL 25 Cb -0.06 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.74 2jtm s VAL 25 CO -0.00 0.39 0.29 -1.66 -0.31 0.00 0.00 175.10 173.81 2jtm s TRP 26 N -0.32 -0.07 -0.05 2.82 -2.14 0.20 -5.00 118.94 114.37 2jtm s TRP 26 Ca 0.05 -0.10 0.06 0.00 2.66 0.00 0.00 56.10 58.77 2jtm s TRP 26 Cb -0.08 0.08 -0.01 0.00 -3.10 0.00 0.00 33.47 30.36 2jtm s TRP 26 CO -0.00 -0.51 -0.23 0.00 -2.66 0.00 0.00 176.95 173.55 2jtm s ALA 27 N -2.68 2.27 -0.46 2.67 0.00 -1.26 -0.04 121.76 122.25 2jtm s ALA 27 Ca -0.04 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2jtm s ALA 27 Cb -0.00 -0.73 0.12 0.00 0.00 0.00 0.00 23.12 22.51 2jtm s ALA 27 CO -0.04 0.45 0.32 -0.51 0.00 0.00 0.00 175.76 175.97 2jtm s LEU 28 N -0.30 5.62 -0.55 0.00 1.02 0.11 -4.95 118.68 119.64 2jtm s LEU 28 Ca 0.01 -1.94 -0.08 0.00 0.02 0.00 0.00 54.13 52.14 2jtm s LEU 28 Cb -0.13 -1.98 0.14 0.00 0.02 0.00 0.00 46.19 44.25 2jtm s LEU 28 CO 0.02 -0.67 0.41 0.00 0.02 0.00 0.00 176.35 176.14 2jtm s ALA 29 N 1.32 3.51 0.52 4.21 0.00 -1.26 -0.50 121.76 129.56 2jtm s ALA 29 Ca 0.06 -2.82 -0.15 0.00 0.00 0.00 0.00 51.96 49.05 2jtm s ALA 29 Cb -0.26 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 2jtm s ALA 29 CO -0.01 -2.00 0.97 -2.14 0.00 0.00 0.00 175.76 172.58 2jtm s PRO 30 N 0.83 3.87 0.03 0.00 0.02 -1.26 -4.95 135.00 133.54 2jtm s PRO 30 Ca 0.10 0.87 -0.30 0.00 0.02 0.00 0.00 61.00 61.69 2jtm s PRO 30 Cb -0.22 -2.15 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 2jtm s PRO 30 CO -0.03 -0.29 1.28 0.15 -0.33 0.00 0.00 177.00 177.77 2jtm s LYS 31 N -4.23 4.36 0.00 5.54 1.02 -1.26 -1.90 119.74 123.28 2jtm s LYS 31 Ca 0.57 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2jtm s LYS 31 Cb -0.10 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2jtm s LYS 31 CO 0.35 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 2jtm n GLY 32 N 3.39 1.95 3.53 -3.33 0.00 -1.26 -5.04 105.19 104.43 2jtm n GLY 32 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2jtm n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtm s ARG 33 N -0.97 1.88 0.27 1.61 3.00 -0.80 -5.03 118.95 118.92 2jtm s ARG 33 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 55.73 54.17 2jtm s ARG 33 Cb 0.00 -1.92 0.38 0.00 0.00 0.00 0.00 34.95 33.41 2jtm s ARG 33 CO 0.00 0.35 1.67 1.57 0.00 0.00 0.00 175.30 178.89 2jtm h LYS 34 N 2.28 0.32 0.00 3.54 2.10 -1.95 -3.40 116.57 119.46 2jtm h LYS 34 Ca -0.42 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2jtm h LYS 34 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2jtm h LYS 34 CO 0.59 0.69 0.00 0.41 -2.00 0.00 0.00 179.45 179.13 2jtm n GLY 35 N -0.12 2.33 3.28 0.07 0.00 -1.26 -4.85 105.19 104.65 2jtm n GLY 35 Ca -0.02 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.69 1.49 -0.07 1.61 -7.23 0.34 -4.95 120.40 108.89 2jtm s VAL 36 Ca 0.00 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 2jtm s VAL 36 Cb 0.00 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2jtm s VAL 36 CO 0.00 -0.49 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.64 2jtm s LYS 37 N -3.07 2.75 0.00 4.82 1.02 -1.26 0.09 119.74 124.09 2jtm s LYS 37 Ca 0.14 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.49 2jtm s LYS 37 Cb -0.03 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 2jtm s LYS 37 CO 0.04 0.54 -0.08 0.42 -0.92 0.00 0.00 175.35 175.35 2jtm s ILE 38 N -0.49 0.63 0.08 2.17 1.01 0.94 0.48 121.20 126.00 2jtm s ILE 38 Ca 0.07 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.35 2jtm s ILE 38 Cb -0.12 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 2jtm s ILE 38 CO 0.02 0.12 -0.14 -0.83 0.00 0.00 0.00 174.94 174.11 2jtm s GLY 39 N -0.33 0.87 -0.21 6.18 0.00 0.17 -0.63 107.32 113.37 2jtm s GLY 39 Ca 0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 44.72 43.56 2jtm s GLY 39 CO -0.00 -1.06 0.38 -2.27 0.00 0.00 0.00 173.10 170.15 2jtm s LEU 40 N -1.83 4.15 0.00 0.66 2.96 0.36 -0.71 118.68 124.26 2jtm s LEU 40 Ca -0.01 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 2jtm s LEU 40 Cb -0.09 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 2jtm s LEU 40 CO 0.02 -0.07 0.04 0.49 -1.32 0.00 0.00 176.35 175.51 2jtm n PHE 41 N 4.50 0.90 -4.22 5.38 3.72 0.12 -0.39 117.46 127.47 2jtm n PHE 41 Ca -0.09 -2.62 -0.20 0.00 -0.05 0.00 0.00 57.45 54.50 2jtm n PHE 41 Cb 0.51 -0.24 -0.16 0.00 -0.94 0.00 0.00 39.48 38.65 2jtm n PHE 41 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2jtm s LYS 42 N -3.80 0.83 -0.20 -1.08 2.20 -1.26 -0.21 119.74 116.22 2jtm s LYS 42 Ca 0.06 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 2jtm s LYS 42 Cb 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 2jtm s LYS 42 CO 0.04 -0.02 1.04 0.34 -0.36 0.00 0.00 175.35 176.40 2jtm s ASP 43 N 0.64 7.13 0.00 1.43 -1.08 0.11 -4.93 116.67 119.97 2jtm s ASP 43 Ca -0.09 1.43 0.22 0.00 -0.52 0.00 0.00 52.55 53.59 2jtm s ASP 43 Cb -0.12 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.73 2jtm s ASP 43 CO 0.00 -0.62 1.70 -0.81 0.52 0.00 0.00 175.17 175.96 2jtm n PRO 44 N 6.01 0.02 -0.12 4.34 -0.04 -1.26 -0.77 135.00 143.18 2jtm n PRO 44 Ca 0.11 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 2jtm n PRO 44 Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.49 0.65 0.01 0.54 2.13 -1.26 -4.54 120.64 116.68 2jtm n GLU 45 Ca 0.06 0.18 -0.01 0.00 0.66 0.00 0.00 57.16 58.05 2jtm n GLU 45 Cb 0.25 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.33 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jtm n THR 46 N -3.42 1.13 -1.89 6.31 -2.24 -1.24 -4.99 114.28 107.93 2jtm n THR 46 Ca -0.46 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 2jtm n THR 46 Cb 0.98 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2jtm n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtm n GLY 47 N 1.43 0.51 3.36 3.38 0.00 0.05 -5.06 105.19 108.87 2jtm n GLY 47 Ca -0.12 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.85 1.75 0.20 1.61 -2.85 -1.21 -4.90 119.74 110.48 2jtm s LYS 48 Ca 0.00 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.53 2jtm s LYS 48 Cb 0.00 -1.98 -0.08 0.00 -2.06 0.00 0.00 37.83 33.71 2jtm s LYS 48 CO 0.00 0.50 0.92 0.71 0.10 0.00 0.00 175.35 177.59 2jtm s TYR 49 N -0.85 3.93 -0.02 1.78 1.51 -1.26 0.09 117.35 122.53 2jtm s TYR 49 Ca 0.12 1.85 -0.02 0.00 -1.01 0.00 0.00 57.07 58.02 2jtm s TYR 49 Cb -0.10 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2jtm s TYR 49 CO 0.03 0.40 0.05 -0.59 -1.11 0.00 0.00 175.55 174.32 2jtm s PHE 50 N -0.86 -0.05 -0.03 2.71 -0.71 0.71 -4.91 117.98 114.84 2jtm s PHE 50 Ca 0.42 0.12 -0.15 0.00 -1.04 0.00 0.00 56.93 56.27 2jtm s PHE 50 Cb -0.25 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2jtm s PHE 50 CO 0.31 -0.03 0.40 -0.98 -1.34 0.00 0.00 175.22 173.58 2jtm s ARG 51 N -0.00 3.99 -0.00 1.99 1.70 -1.26 0.15 118.95 125.52 2jtm s ARG 51 Ca -0.00 0.37 -0.04 0.00 -0.47 0.00 0.00 55.73 55.60 2jtm s ARG 51 Cb -0.01 -3.27 -0.00 0.00 -0.57 0.00 0.00 34.95 31.11 2jtm s ARG 51 CO 0.00 0.58 0.07 -1.58 -1.08 0.00 0.00 175.30 173.29 2jtm s HIS 52 N -0.72 0.07 0.42 5.89 2.46 0.11 -4.96 115.29 118.57 2jtm s HIS 52 Ca 0.23 -0.15 -0.25 0.00 0.47 0.00 0.00 55.06 55.36 2jtm s HIS 52 Cb -0.16 -0.07 -0.08 0.00 -0.13 0.00 0.00 32.58 32.14 2jtm s HIS 52 CO 0.12 -0.18 1.20 -1.59 -2.47 0.00 0.00 174.74 171.82 2jtm s LYS 53 N -0.99 3.92 0.40 2.88 -2.85 -1.26 -0.66 119.74 121.18 2jtm s LYS 53 Ca -0.11 1.90 0.08 0.00 -1.00 0.00 0.00 55.97 56.84 2jtm s LYS 53 Cb -0.06 -2.60 -0.00 0.00 -2.06 0.00 0.00 37.83 33.10 2jtm s LYS 53 CO 0.00 -0.45 0.48 -0.51 0.10 0.00 0.00 175.35 174.97 2jtm s LEU 54 N -2.67 3.60 0.60 2.77 1.43 0.18 -4.83 118.68 119.76 2jtm s LEU 54 Ca 0.59 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 2jtm s LEU 54 Cb -0.32 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2jtm s LEU 54 CO 0.40 -0.66 1.17 -2.84 0.23 0.00 0.00 176.35 174.64 2jtm s PRO 55 N -4.24 2.98 0.29 1.29 0.02 -1.26 -4.45 135.00 129.63 2jtm s PRO 55 Ca 0.51 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.21 2jtm s PRO 55 Cb -0.07 -1.95 0.45 0.00 0.02 0.00 0.00 34.50 32.95 2jtm s PRO 55 CO 0.31 -1.17 1.82 -0.44 -0.33 0.00 0.00 177.00 177.19 2jtm h ASP 56 N 0.72 0.68 -0.07 2.53 3.32 -1.97 -2.12 116.42 119.50 2jtm h ASP 56 Ca -0.49 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2jtm h ASP 56 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2jtm h ASP 56 CO 0.55 0.71 0.00 -0.67 -1.72 0.00 0.00 179.24 178.11 2jtm n ASP 57 N -4.26 0.51 -4.66 6.45 2.03 -1.26 -4.79 116.55 110.57 2jtm n ASP 57 Ca 0.03 -1.74 -0.41 0.00 0.52 0.00 0.00 54.79 53.18 2jtm n ASP 57 Cb 0.25 -0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 40.56 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jtm s TYR 58 N -1.90 3.39 -0.75 -0.67 5.04 -0.80 -4.97 117.35 116.68 2jtm s TYR 58 Ca 0.18 1.22 -0.26 0.00 -2.44 0.00 0.00 57.07 55.77 2jtm s TYR 58 Cb 0.09 -3.01 0.02 0.00 0.35 0.00 0.00 41.96 39.41 2jtm s TYR 58 CO 0.14 -0.27 1.42 -1.25 -1.34 0.00 0.00 175.55 174.25 2jtm s PRO 59 N 2.29 3.11 0.00 4.97 0.04 -1.26 -4.94 135.00 139.21 2jtm s PRO 59 Ca 0.37 -0.19 0.30 0.00 0.04 0.00 0.00 61.00 61.53 2jtm s PRO 59 Cb -0.16 -4.37 1.57 0.00 0.04 0.00 0.00 34.50 31.58 2jtm s PRO 59 CO 0.11 -2.30 2.04 0.44 0.04 0.00 0.00 177.00 177.33