#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 -7.53 -0.16 6.12 7.64 -1.26 -4.94 113.62 113.48 2jtm n SER 2 Ca 0.00 -0.15 0.13 0.00 1.01 0.00 0.00 58.87 59.85 2jtm n SER 2 Cb 0.00 -5.21 0.32 0.00 -1.01 0.00 0.00 64.21 58.31 2jtm n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jtm n SER 3 N -1.94 0.86 -4.24 6.43 7.64 -1.26 -4.59 113.62 116.52 2jtm n SER 3 Ca -0.01 -0.68 -0.43 0.00 1.01 0.00 0.00 58.87 58.76 2jtm n SER 3 Cb 0.52 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jtm n GLY 4 N 1.40 3.32 1.39 0.23 0.00 -1.26 -4.81 105.19 105.46 2jtm n GLY 4 Ca 0.10 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 7.46 0.20 -3.70 1.61 4.76 -1.26 -5.16 118.16 122.07 2jtm n LYS 5 Ca 0.50 -1.40 -0.11 0.00 -2.87 0.00 0.00 58.31 54.43 2jtm n LYS 5 Cb 0.43 1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 34.70 2jtm n LYS 5 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2jtm s LYS 6 N -2.55 0.43 0.27 1.97 -2.85 -1.26 -5.14 119.74 110.61 2jtm s LYS 6 Ca 0.16 0.79 -0.30 0.00 -1.00 0.00 0.00 55.97 55.63 2jtm s LYS 6 Cb 0.01 0.02 -0.10 0.00 -2.06 0.00 0.00 37.83 35.70 2jtm s LYS 6 CO 0.12 -0.14 1.40 -1.25 0.10 0.00 0.00 175.35 175.58 2jtm s PRO 7 N 1.25 4.29 0.11 1.78 0.04 -1.26 -4.69 135.00 136.51 2jtm s PRO 7 Ca -0.08 2.28 0.08 0.00 0.04 0.00 0.00 61.00 63.32 2jtm s PRO 7 Cb -0.07 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2jtm s PRO 7 CO -0.11 -0.36 -0.13 0.54 0.04 0.00 0.00 177.00 176.97 2jtm s VAL 8 N -0.32 3.16 -0.35 -0.36 0.11 0.35 -4.74 120.40 118.25 2jtm s VAL 8 Ca 0.56 -1.35 -0.28 0.00 -2.93 0.00 0.00 61.98 57.98 2jtm s VAL 8 Cb -0.41 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.96 2jtm s VAL 8 CO 0.46 0.11 1.77 -0.54 -3.33 0.00 0.00 175.10 173.58 2jtm s LYS 9 N -2.16 3.31 -0.04 1.54 -0.14 -1.26 -1.14 119.74 119.85 2jtm s LYS 9 Ca 0.20 1.33 0.05 0.00 -1.36 0.00 0.00 55.97 56.19 2jtm s LYS 9 Cb -0.11 -4.19 -0.01 0.00 -1.68 0.00 0.00 37.83 31.84 2jtm s LYS 9 CO 0.12 -1.89 -0.18 0.54 -0.76 0.00 0.00 175.35 173.18 2jtm s VAL 10 N 6.91 1.50 -0.33 3.17 0.11 0.21 -4.91 120.40 127.07 2jtm s VAL 10 Ca 0.77 -0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2jtm s VAL 10 Cb -0.21 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2jtm s VAL 10 CO 0.33 0.43 1.11 -0.54 -3.33 0.00 0.00 175.10 173.10 2jtm s LYS 11 N -0.11 4.02 0.64 1.54 1.02 -1.26 -1.32 119.74 124.27 2jtm s LYS 11 Ca -0.01 1.06 -0.07 0.00 0.02 0.00 0.00 55.97 56.98 2jtm s LYS 11 Cb -0.11 -3.77 0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2jtm s LYS 11 CO 0.02 -0.97 0.96 0.95 -0.92 0.00 0.00 175.35 175.38 2jtm s THR 12 N 3.82 3.18 0.33 2.17 -4.23 -0.01 -4.92 115.64 115.98 2jtm s THR 12 Ca 0.47 -0.04 0.37 0.00 -1.18 0.00 0.00 61.69 61.31 2jtm s THR 12 Cb -0.12 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.79 2jtm s THR 12 CO 0.18 -0.33 2.13 -0.65 -0.54 0.00 0.00 174.62 175.41 2jtm h PRO 13 N -0.36 0.00 0.00 3.99 0.11 -1.95 -0.59 132.00 133.19 2jtm h PRO 13 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jtm h PRO 13 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2jtm h PRO 13 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 2jtm n ALA 14 N -2.01 1.75 -1.60 -0.75 0.00 -1.26 -4.89 120.51 111.75 2jtm n ALA 14 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jtm n ALA 14 Cb 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2jtm n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtm n GLY 15 N 0.19 0.46 3.35 0.00 0.00 -0.23 -5.09 105.19 103.87 2jtm n GLY 15 Ca 0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.01 1.16 -0.25 1.61 -2.85 -1.25 -4.97 119.74 110.18 2jtm s LYS 16 Ca 0.00 -1.12 -0.07 0.00 -1.00 0.00 0.00 55.97 53.78 2jtm s LYS 16 Cb 0.00 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2jtm s LYS 16 CO 0.00 -0.43 0.07 -1.21 0.10 0.00 0.00 175.35 173.88 2jtm s GLU 17 N -3.95 3.67 0.08 1.78 2.02 -1.26 -0.83 118.70 120.20 2jtm s GLU 17 Ca 0.15 -0.47 0.06 0.00 0.02 0.00 0.00 54.97 54.74 2jtm s GLU 17 Cb 0.03 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2jtm s GLU 17 CO -0.01 -0.17 -0.17 0.00 0.02 0.00 0.00 175.26 174.92 2jtm s ALA 18 N 1.57 1.46 -0.56 5.21 0.00 -0.43 -4.89 121.76 124.12 2jtm s ALA 18 Ca 0.06 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 2jtm s ALA 18 Cb -0.15 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.85 2jtm s ALA 18 CO 0.04 0.26 0.82 -1.21 0.00 0.00 0.00 175.76 175.67 2jtm s GLU 19 N -1.74 3.20 0.08 0.00 2.02 -1.25 -0.62 118.70 120.39 2jtm s GLU 19 Ca 0.02 -0.67 0.09 0.00 0.02 0.00 0.00 54.97 54.43 2jtm s GLU 19 Cb -0.10 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 2jtm s GLU 19 CO 0.03 -1.46 -0.22 -0.51 0.02 0.00 0.00 175.26 173.12 2jtm s LEU 20 N 3.42 2.46 -0.19 1.80 1.43 -0.29 -4.72 118.68 122.58 2jtm s LEU 20 Ca 0.22 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2jtm s LEU 20 Cb -0.17 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2jtm s LEU 20 CO 0.14 0.22 0.09 0.54 0.23 0.00 0.00 176.35 177.57 2jtm s VAL 21 N -0.98 5.04 0.12 -1.59 0.11 -1.26 -0.49 120.40 121.35 2jtm s VAL 21 Ca 0.15 0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 58.94 2jtm s VAL 21 Cb -0.10 -3.29 -0.08 0.00 -1.53 0.00 0.00 36.38 31.37 2jtm s VAL 21 CO 0.06 0.44 1.43 -2.16 -3.33 0.00 0.00 175.10 171.54 2jtm s PRO 22 N 0.44 4.30 0.02 1.54 0.04 -1.26 -4.73 135.00 135.34 2jtm s PRO 22 Ca 0.05 2.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.98 2jtm s PRO 22 Cb -0.12 -3.23 -0.18 0.00 0.04 0.00 0.00 34.50 31.01 2jtm s PRO 22 CO -0.00 -0.48 1.39 0.93 0.04 0.00 0.00 177.00 178.88 2jtm h GLU 23 N 6.82 -0.11 -5.01 4.56 4.39 -0.88 -3.45 114.58 120.91 2jtm h GLU 23 Ca -0.42 0.01 -0.34 0.00 0.34 0.00 0.00 59.36 58.95 2jtm h GLU 23 Cb 1.21 0.02 -0.19 0.00 -0.10 0.00 0.00 28.75 29.69 2jtm h GLU 23 CO 0.88 0.20 -0.74 -1.59 -1.16 0.00 0.00 179.01 176.60 2jtm s LYS 24 N -4.91 0.80 0.07 2.33 -2.85 -1.26 -4.99 119.74 108.93 2jtm s LYS 24 Ca -0.15 -1.05 0.05 0.00 -1.00 0.00 0.00 55.97 53.82 2jtm s LYS 24 Cb 0.03 -0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 35.19 2jtm s LYS 24 CO 0.64 0.10 -0.15 0.14 0.10 0.00 0.00 175.35 176.18 2jtm s VAL 25 N -2.00 1.20 0.19 1.79 -7.23 -1.26 -1.18 120.40 111.91 2jtm s VAL 25 Ca 0.01 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.75 2jtm s VAL 25 Cb -0.06 -1.12 0.04 0.00 0.56 0.00 0.00 36.38 35.80 2jtm s VAL 25 CO 0.01 -0.13 0.56 -1.66 -0.31 0.00 0.00 175.10 173.57 2jtm s TRP 26 N -1.13 -0.24 -0.03 2.82 -2.14 -0.08 -5.01 118.94 113.14 2jtm s TRP 26 Ca 0.00 -0.09 0.01 0.00 2.66 0.00 0.00 56.10 58.69 2jtm s TRP 26 Cb -0.09 0.47 0.01 0.00 -3.10 0.00 0.00 33.47 30.76 2jtm s TRP 26 CO 0.02 -0.93 -0.05 0.00 -2.66 0.00 0.00 176.95 173.33 2jtm s ALA 27 N -3.85 0.64 -0.79 2.67 0.00 -1.26 -0.25 121.76 118.93 2jtm s ALA 27 Ca 0.07 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 2jtm s ALA 27 Cb -0.01 -0.33 0.19 0.00 0.00 0.00 0.00 23.12 22.96 2jtm s ALA 27 CO -0.05 0.04 0.78 -0.51 0.00 0.00 0.00 175.76 176.03 2jtm s LEU 28 N 0.57 6.32 -0.36 0.00 1.02 0.15 -4.88 118.68 121.50 2jtm s LEU 28 Ca -0.08 -2.38 0.02 0.00 0.02 0.00 0.00 54.13 51.71 2jtm s LEU 28 Cb -0.11 -2.25 0.10 0.00 0.02 0.00 0.00 46.19 43.96 2jtm s LEU 28 CO 0.00 -0.73 0.09 0.00 0.02 0.00 0.00 176.35 175.74 2jtm s ALA 29 N 0.93 2.97 0.00 4.21 0.00 -1.26 -0.72 121.76 127.89 2jtm s ALA 29 Ca 0.18 -2.52 -0.03 0.00 0.00 0.00 0.00 51.96 49.59 2jtm s ALA 29 Cb -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2jtm s ALA 29 CO -0.06 -1.71 0.92 -1.35 0.00 0.00 0.00 175.76 173.55 2jtm h PRO 30 N 7.75 -0.09 0.00 0.00 0.11 -1.93 -3.49 132.00 134.35 2jtm h PRO 30 Ca -0.07 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2jtm h PRO 30 Cb 1.03 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jtm h PRO 30 CO 0.57 -0.06 0.00 0.36 -0.21 0.00 0.00 178.00 178.66 2jtm n LYS 31 N -2.28 0.00 -2.38 1.05 2.85 -1.26 -4.99 118.16 111.15 2jtm n LYS 31 Ca -0.01 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 2jtm n LYS 31 Cb 0.04 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.45 2jtm n LYS 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jtm n GLY 32 N -1.28 4.41 0.72 2.58 0.00 -1.26 -4.74 105.19 105.62 2jtm n GLY 32 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.65 0.78 0.00 1.61 1.74 -1.26 -5.04 116.66 113.84 2jtm n ARG 33 Ca 0.28 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 2jtm n ARG 33 Cb 0.89 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 2jtm n ARG 33 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jtm n LYS 34 N -0.52 0.00 0.00 5.56 4.81 -1.26 -4.61 118.16 122.13 2jtm n LYS 34 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2jtm n LYS 34 Cb 0.81 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.86 2jtm n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jtm n GLY 35 N 0.00 3.39 3.57 3.14 0.00 -1.26 -4.89 105.19 109.14 2jtm n GLY 35 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 2jtm n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jtm s VAL 36 N 0.00 5.11 -0.07 1.61 1.01 0.10 -4.87 120.40 123.29 2jtm s VAL 36 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2jtm s VAL 36 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2jtm s VAL 36 CO 0.00 -0.06 0.59 -0.54 0.00 0.00 0.00 175.10 175.09 2jtm s LYS 37 N 2.18 4.37 0.01 2.72 1.02 -1.26 0.33 119.74 129.10 2jtm s LYS 37 Ca 0.15 0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.85 2jtm s LYS 37 Cb -0.16 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2jtm s LYS 37 CO 0.12 0.17 -0.08 0.42 -0.92 0.00 0.00 175.35 175.05 2jtm s ILE 38 N 0.52 0.61 0.07 2.17 1.01 0.66 0.41 121.20 126.64 2jtm s ILE 38 Ca 0.32 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.49 2jtm s ILE 38 Cb -0.17 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2jtm s ILE 38 CO 0.15 0.04 -0.14 -0.83 0.00 0.00 0.00 174.94 174.16 2jtm s GLY 39 N -0.54 0.85 -0.21 6.18 0.00 -0.08 -0.90 107.32 112.62 2jtm s GLY 39 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 2jtm s GLY 39 CO 0.00 -1.04 0.39 -2.27 0.00 0.00 0.00 173.10 170.19 2jtm s LEU 40 N -1.78 4.13 0.42 0.66 2.96 -0.33 -1.13 118.68 123.62 2jtm s LEU 40 Ca -0.02 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 2jtm s LEU 40 Cb -0.10 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.03 2jtm s LEU 40 CO 0.02 -0.10 0.08 -0.36 -1.32 0.00 0.00 176.35 174.67 2jtm s PHE 41 N 1.45 2.50 -0.11 5.38 0.08 0.12 -0.10 117.98 127.31 2jtm s PHE 41 Ca 0.18 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.59 2jtm s PHE 41 Cb -0.15 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 2jtm s PHE 41 CO 0.08 0.32 -0.17 0.21 -0.10 0.00 0.00 175.22 175.56 2jtm s LYS 42 N -3.80 2.44 -0.16 0.44 2.20 -1.26 -0.26 119.74 119.33 2jtm s LYS 42 Ca 0.35 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 2jtm s LYS 42 Cb 0.07 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 2jtm s LYS 42 CO 0.19 -0.03 1.27 0.34 -0.36 0.00 0.00 175.35 176.76 2jtm s ASP 43 N 0.88 6.94 0.48 1.43 -1.08 0.13 -4.91 116.67 120.54 2jtm s ASP 43 Ca -0.08 1.70 0.25 0.00 -0.52 0.00 0.00 52.55 53.91 2jtm s ASP 43 Cb -0.15 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 39.98 2jtm s ASP 43 CO -0.01 -0.77 1.96 1.55 0.52 0.00 0.00 175.17 178.43 2jtm h PRO 44 N 8.24 0.00 0.00 4.34 0.13 -1.96 0.12 132.00 142.86 2jtm h PRO 44 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2jtm h PRO 44 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jtm h PRO 44 CO 0.97 0.18 -1.81 0.39 -0.23 0.00 0.00 178.00 177.50 2jtm n GLU 45 N -3.57 0.65 -0.00 0.86 1.02 -1.26 -4.37 120.64 113.97 2jtm n GLU 45 Ca -0.01 -0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.10 2jtm n GLU 45 Cb 0.32 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jtm n THR 46 N -2.46 0.00 -0.92 2.62 -2.24 -1.20 -5.01 114.28 105.07 2jtm n THR 46 Ca -0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2jtm n THR 46 Cb 0.67 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.87 0.55 3.95 3.38 0.00 0.40 -5.03 105.19 110.32 2jtm n GLY 47 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.08 3.42 0.10 1.61 -2.85 -1.24 -4.84 119.74 115.86 2jtm s LYS 48 Ca 0.00 -0.67 -0.08 0.00 -1.00 0.00 0.00 55.97 54.22 2jtm s LYS 48 Cb 0.00 -2.92 -0.06 0.00 -2.06 0.00 0.00 37.83 32.79 2jtm s LYS 48 CO 0.00 0.48 0.39 0.71 0.10 0.00 0.00 175.35 177.03 2jtm s TYR 49 N -1.84 3.54 -0.10 1.78 1.51 -1.26 0.22 117.35 121.19 2jtm s TYR 49 Ca 0.34 0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 57.00 2jtm s TYR 49 Cb -0.10 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2jtm s TYR 49 CO 0.29 0.49 0.27 -0.59 -1.11 0.00 0.00 175.55 174.89 2jtm s PHE 50 N -1.50 -0.30 -0.10 2.71 -0.71 0.64 -4.91 117.98 113.81 2jtm s PHE 50 Ca 0.36 0.74 -0.15 0.00 -1.04 0.00 0.00 56.93 56.84 2jtm s PHE 50 Cb -0.13 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2jtm s PHE 50 CO 0.20 -0.15 0.36 -0.98 -1.34 0.00 0.00 175.22 173.32 2jtm s ARG 51 N 0.20 4.13 0.01 1.99 1.70 -1.26 0.15 118.95 125.88 2jtm s ARG 51 Ca -0.00 0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.49 2jtm s ARG 51 Cb -0.02 -3.36 -0.01 0.00 -0.57 0.00 0.00 34.95 30.99 2jtm s ARG 51 CO -0.00 0.38 0.02 -1.58 -1.08 0.00 0.00 175.30 173.04 2jtm s HIS 52 N -0.02 0.18 0.55 5.89 2.46 -0.29 -4.96 115.29 119.11 2jtm s HIS 52 Ca 0.21 -0.39 -0.19 0.00 0.47 0.00 0.00 55.06 55.16 2jtm s HIS 52 Cb -0.14 -0.14 -0.05 0.00 -0.13 0.00 0.00 32.58 32.11 2jtm s HIS 52 CO 0.08 -0.21 1.13 -1.59 -2.47 0.00 0.00 174.74 171.68 2jtm s LYS 53 N -1.37 3.29 0.44 2.88 -2.85 -1.26 -0.90 119.74 119.96 2jtm s LYS 53 Ca -0.15 1.61 0.08 0.00 -1.00 0.00 0.00 55.97 56.51 2jtm s LYS 53 Cb -0.09 -2.00 -0.00 0.00 -2.06 0.00 0.00 37.83 33.68 2jtm s LYS 53 CO -0.00 -0.90 0.46 -0.51 0.10 0.00 0.00 175.35 174.50 2jtm s LEU 54 N -3.89 3.39 0.54 2.77 1.43 0.16 -4.81 118.68 118.27 2jtm s LEU 54 Ca 0.73 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 2jtm s LEU 54 Cb -0.24 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2jtm s LEU 54 CO 0.28 -0.76 1.19 -2.84 0.23 0.00 0.00 176.35 174.45 2jtm s PRO 55 N -4.23 3.31 0.48 1.29 0.02 -1.26 -4.62 135.00 129.98 2jtm s PRO 55 Ca 0.50 1.79 0.26 0.00 0.02 0.00 0.00 61.00 63.57 2jtm s PRO 55 Cb -0.05 -2.11 1.13 0.00 0.02 0.00 0.00 34.50 33.50 2jtm s PRO 55 CO 0.29 -0.92 1.91 -0.44 -0.33 0.00 0.00 177.00 177.51 2jtm h ASP 56 N 1.34 0.00 -0.25 2.53 3.32 -1.95 -2.15 116.42 119.26 2jtm h ASP 56 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jtm h ASP 56 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jtm h ASP 56 CO 0.57 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 2jtm n ASP 57 N -3.40 2.40 -4.67 6.45 5.75 -1.26 -4.88 116.55 116.93 2jtm n ASP 57 Ca -0.00 -1.83 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 2jtm n ASP 57 Cb 0.36 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jtm s TYR 58 N -1.68 2.83 -0.61 2.11 5.04 -0.81 -4.93 117.35 119.30 2jtm s TYR 58 Ca 0.34 0.91 -0.27 0.00 -2.44 0.00 0.00 57.07 55.61 2jtm s TYR 58 Cb 0.19 -3.57 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 2jtm s TYR 58 CO 0.28 -2.06 1.67 -1.25 -1.34 0.00 0.00 175.55 172.86 2jtm s PRO 59 N 2.96 2.89 0.00 4.97 0.04 -1.26 -4.99 135.00 139.60 2jtm s PRO 59 Ca 0.60 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2jtm s PRO 59 Cb -0.26 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2jtm s PRO 59 CO 0.21 -2.44 0.12 0.44 0.04 0.00 0.00 177.00 175.37