#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtm s SER 2 N 0.00 6.98 -0.01 3.17 1.04 -1.26 -4.63 113.70 119.00 2jtm s SER 2 Ca 0.00 -2.82 -0.03 0.00 0.48 0.00 0.00 55.95 53.59 2jtm s SER 2 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 2jtm s SER 2 CO 0.00 -0.79 -0.05 -0.24 0.98 0.00 0.00 173.24 173.14 2jtm n SER 3 N 5.67 0.48 0.00 7.02 2.88 -1.26 -5.00 113.62 123.41 2jtm n SER 3 Ca 0.33 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2jtm n SER 3 Cb 0.44 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 2.58 1.44 3.74 0.46 0.00 -1.26 -4.78 105.19 107.36 2jtm n GLY 4 Ca -0.02 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2jtm n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jtm s LYS 5 N 0.00 2.88 -0.05 1.61 2.47 -1.26 -5.07 119.74 120.33 2jtm s LYS 5 Ca 0.00 -0.60 -0.12 0.00 -1.56 0.00 0.00 55.97 53.69 2jtm s LYS 5 Cb 0.00 -2.74 0.02 0.00 -1.46 0.00 0.00 37.83 33.66 2jtm s LYS 5 CO 0.00 0.61 0.27 -1.59 0.16 0.00 0.00 175.35 174.81 2jtm s LYS 6 N -1.84 0.52 0.68 4.03 0.00 -1.26 -5.13 119.74 116.74 2jtm s LYS 6 Ca 0.23 -0.01 -0.11 0.00 0.00 0.00 0.00 55.97 56.08 2jtm s LYS 6 Cb -0.12 0.23 -0.00 0.00 0.00 0.00 0.00 37.83 37.94 2jtm s LYS 6 CO 0.14 -0.12 1.06 -1.25 0.00 0.00 0.00 175.35 175.18 2jtm s PRO 7 N -0.79 3.04 -0.00 1.78 0.04 -1.26 -4.39 135.00 133.42 2jtm s PRO 7 Ca -0.09 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 2jtm s PRO 7 Cb -0.04 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jtm s PRO 7 CO 0.02 -1.02 0.06 0.54 0.04 0.00 0.00 177.00 176.65 2jtm s VAL 8 N -3.00 0.07 -0.34 -0.36 0.11 0.21 -4.94 120.40 112.15 2jtm s VAL 8 Ca 0.58 -0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 58.80 2jtm s VAL 8 Cb -0.14 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2jtm s VAL 8 CO 0.53 -0.30 1.74 -0.75 -3.33 0.00 0.00 175.10 172.99 2jtm s LYS 9 N -0.97 3.37 -0.02 1.54 2.20 -1.26 -1.05 119.74 123.56 2jtm s LYS 9 Ca -0.11 1.35 0.06 0.00 -0.36 0.00 0.00 55.97 56.91 2jtm s LYS 9 Cb -0.06 -4.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2jtm s LYS 9 CO 0.00 -1.81 -0.19 0.54 -0.36 0.00 0.00 175.35 173.53 2jtm s VAL 10 N 6.66 1.50 -0.34 4.02 0.11 0.45 -4.93 120.40 127.87 2jtm s VAL 10 Ca 0.77 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 2jtm s VAL 10 Cb -0.21 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.40 2jtm s VAL 10 CO 0.33 0.43 1.04 -0.54 -3.33 0.00 0.00 175.10 173.03 2jtm s LYS 11 N -0.36 4.00 0.45 1.54 1.02 -1.26 -0.60 119.74 124.53 2jtm s LYS 11 Ca 0.05 0.94 -0.06 0.00 0.02 0.00 0.00 55.97 56.92 2jtm s LYS 11 Cb -0.08 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 2jtm s LYS 11 CO -0.00 -0.93 0.75 0.95 -0.92 0.00 0.00 175.35 175.20 2jtm s THR 12 N 3.65 4.91 -0.70 2.17 -4.23 0.14 -4.96 115.64 116.62 2jtm s THR 12 Ca 0.44 0.22 0.21 0.00 -1.18 0.00 0.00 61.69 61.37 2jtm s THR 12 Cb -0.12 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 70.09 2jtm s THR 12 CO 0.17 -0.75 1.64 -2.65 -0.54 0.00 0.00 174.62 172.49 2jtm n PRO 13 N -1.99 0.12 0.19 3.99 -0.02 -1.26 -1.43 135.00 134.61 2jtm n PRO 13 Ca 0.00 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 2jtm n PRO 13 Cb 0.55 -1.72 0.39 0.00 -0.02 0.00 0.00 33.50 32.69 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 2.39 1.11 0.00 3.55 0.00 -2.00 -3.47 119.26 120.84 2jtm h ALA 14 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jtm h ALA 14 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jtm h ALA 14 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2jtm n GLY 15 N -0.03 1.22 3.42 0.00 0.00 -0.51 -5.11 105.19 104.18 2jtm n GLY 15 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.50 1.54 -0.25 1.61 0.00 -1.26 -4.93 119.74 115.95 2jtm s LYS 16 Ca 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 55.97 54.11 2jtm s LYS 16 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 37.83 36.31 2jtm s LYS 16 CO 0.00 0.26 0.42 -1.21 0.00 0.00 0.00 175.35 174.82 2jtm s GLU 17 N -3.57 4.08 -0.02 1.78 2.02 -1.26 -0.69 118.70 121.04 2jtm s GLU 17 Ca 0.27 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.47 2jtm s GLU 17 Cb -0.03 -3.62 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 2jtm s GLU 17 CO 0.12 -0.23 -0.15 0.00 0.02 0.00 0.00 175.26 175.01 2jtm s ALA 18 N 1.93 1.26 -0.58 5.21 0.00 0.23 -4.91 121.76 124.91 2jtm s ALA 18 Ca 0.18 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 2jtm s ALA 18 Cb -0.15 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.65 2jtm s ALA 18 CO 0.09 0.29 1.08 -1.21 0.00 0.00 0.00 175.76 176.01 2jtm s GLU 19 N -0.23 3.41 0.15 0.00 2.02 -1.26 -0.41 118.70 122.38 2jtm s GLU 19 Ca 0.03 -0.02 0.11 0.00 0.02 0.00 0.00 54.97 55.11 2jtm s GLU 19 Cb -0.07 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2jtm s GLU 19 CO -0.00 -1.62 -0.26 -0.51 0.02 0.00 0.00 175.26 172.89 2jtm s LEU 20 N 4.54 2.35 -0.22 1.80 1.43 -0.22 -4.84 118.68 123.53 2jtm s LEU 20 Ca 0.37 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 2jtm s LEU 20 Cb -0.10 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 2jtm s LEU 20 CO 0.22 0.16 0.13 0.54 0.23 0.00 0.00 176.35 177.63 2jtm s VAL 21 N -1.25 5.29 0.40 -1.59 0.11 -1.26 -0.62 120.40 121.48 2jtm s VAL 21 Ca 0.16 0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 2jtm s VAL 21 Cb -0.09 -3.44 -0.09 0.00 -1.53 0.00 0.00 36.38 31.23 2jtm s VAL 21 CO 0.07 0.40 1.22 -2.16 -3.33 0.00 0.00 175.10 171.30 2jtm s PRO 22 N 0.69 4.04 0.13 1.54 0.04 -1.26 -4.75 135.00 135.43 2jtm s PRO 22 Ca 0.07 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2jtm s PRO 22 Cb -0.12 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 2jtm s PRO 22 CO 0.01 -0.37 1.35 1.49 0.04 0.00 0.00 177.00 179.52 2jtm h GLU 23 N 2.70 0.60 -2.74 4.56 4.57 -0.74 -3.46 114.58 120.06 2jtm h GLU 23 Ca -0.49 -0.51 -0.10 0.00 -1.18 0.00 0.00 59.36 57.08 2jtm h GLU 23 Cb 1.24 0.11 -0.20 0.00 -0.16 0.00 0.00 28.75 29.74 2jtm h GLU 23 CO 0.63 1.13 -0.15 -1.59 -1.18 0.00 0.00 179.01 177.85 2jtm s LYS 24 N -3.62 0.75 0.07 1.92 -2.85 -1.25 -5.01 119.74 109.75 2jtm s LYS 24 Ca -0.08 -0.00 0.05 0.00 -1.00 0.00 0.00 55.97 54.94 2jtm s LYS 24 Cb 0.09 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2jtm s LYS 24 CO 0.88 -0.21 -0.15 0.14 0.10 0.00 0.00 175.35 176.11 2jtm s VAL 25 N -1.14 1.19 0.14 1.79 -7.23 -1.26 -1.16 120.40 112.73 2jtm s VAL 25 Ca -0.12 -1.29 -0.19 0.00 -1.81 0.00 0.00 61.98 58.57 2jtm s VAL 25 Cb -0.04 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.83 2jtm s VAL 25 CO 0.05 -0.17 0.50 -1.66 -0.31 0.00 0.00 175.10 173.51 2jtm s TRP 26 N -1.20 -0.37 -0.02 2.82 -2.14 -0.14 -5.01 118.94 112.88 2jtm s TRP 26 Ca -0.01 0.11 0.03 0.00 2.66 0.00 0.00 56.10 58.90 2jtm s TRP 26 Cb -0.10 0.40 -0.00 0.00 -3.10 0.00 0.00 33.47 30.68 2jtm s TRP 26 CO 0.02 -0.77 -0.11 0.00 -2.66 0.00 0.00 176.95 173.43 2jtm s ALA 27 N -3.75 1.02 -0.83 2.67 0.00 -1.26 -0.01 121.76 119.60 2jtm s ALA 27 Ca 0.02 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 2jtm s ALA 27 Cb 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.95 2jtm s ALA 27 CO -0.12 0.20 0.93 -0.51 0.00 0.00 0.00 175.76 176.26 2jtm s LEU 28 N 0.01 5.68 -0.41 0.00 1.02 0.18 -4.90 118.68 120.26 2jtm s LEU 28 Ca -0.01 -2.15 0.02 0.00 0.02 0.00 0.00 54.13 52.02 2jtm s LEU 28 Cb -0.08 -2.32 0.16 0.00 0.02 0.00 0.00 46.19 43.97 2jtm s LEU 28 CO 0.00 -0.91 0.29 0.00 0.02 0.00 0.00 176.35 175.76 2jtm s ALA 29 N 1.85 1.40 -1.03 4.21 0.00 -1.26 -2.53 121.76 124.40 2jtm s ALA 29 Ca 0.24 -2.32 -0.23 0.00 0.00 0.00 0.00 51.96 49.66 2jtm s ALA 29 Cb -0.10 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.43 2jtm s ALA 29 CO -0.06 -2.03 1.47 -1.25 0.00 0.00 0.00 175.76 173.88 2jtm s PRO 30 N 0.37 3.60 0.00 0.00 0.04 -1.26 -4.73 135.00 133.02 2jtm s PRO 30 Ca 0.26 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 60.15 2jtm s PRO 30 Cb -0.08 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2jtm s PRO 30 CO -0.11 -2.22 0.00 0.36 0.04 0.00 0.00 177.00 175.07 2jtm n LYS 31 N 8.87 0.00 -3.39 4.56 2.85 -1.26 -4.34 118.16 125.44 2jtm n LYS 31 Ca 0.34 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.30 2jtm n LYS 31 Cb 0.51 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.82 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 0.00 4.82 3.54 2.58 0.00 -1.26 -4.98 105.19 109.89 2jtm n GLY 32 Ca 0.00 -2.75 -0.17 0.00 0.00 0.00 0.00 46.02 43.10 2jtm n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jtm s ARG 33 N -2.46 0.98 0.25 1.61 3.52 -1.26 -5.04 118.95 116.55 2jtm s ARG 33 Ca 0.38 0.33 -0.05 0.00 -0.13 0.00 0.00 55.73 56.26 2jtm s ARG 33 Cb 0.12 0.46 0.27 0.00 -1.56 0.00 0.00 34.95 34.24 2jtm s ARG 33 CO -0.00 -0.29 1.85 1.57 -0.81 0.00 0.00 175.30 177.62 2jtm h LYS 34 N 3.19 1.15 0.00 5.12 2.10 -1.93 -3.46 116.57 122.73 2jtm h LYS 34 Ca -0.26 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2jtm h LYS 34 Cb 1.15 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2jtm h LYS 34 CO 0.34 0.87 0.00 0.41 -2.00 0.00 0.00 179.45 179.07 2jtm n GLY 35 N -1.07 1.60 3.59 0.07 0.00 -1.26 -4.97 105.19 103.15 2jtm n GLY 35 Ca 0.08 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 3.96 -0.02 1.61 -7.23 -1.05 -4.81 120.40 112.87 2jtm s VAL 36 Ca 0.00 0.90 -0.25 0.00 -1.81 0.00 0.00 61.98 60.81 2jtm s VAL 36 Cb 0.00 -4.54 -0.04 0.00 0.56 0.00 0.00 36.38 32.36 2jtm s VAL 36 CO 0.00 -1.14 0.79 -0.54 -0.31 0.00 0.00 175.10 173.89 2jtm s LYS 37 N 5.03 4.49 -0.00 4.82 1.02 -1.26 -0.64 119.74 133.19 2jtm s LYS 37 Ca 0.49 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.58 2jtm s LYS 37 Cb -0.09 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 2jtm s LYS 37 CO 0.28 0.10 -0.11 0.42 -0.92 0.00 0.00 175.35 175.12 2jtm s ILE 38 N 0.59 0.84 0.07 2.17 1.01 0.99 0.53 121.20 127.40 2jtm s ILE 38 Ca 0.41 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.63 2jtm s ILE 38 Cb -0.19 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 2jtm s ILE 38 CO 0.22 0.21 -0.15 -0.83 0.00 0.00 0.00 174.94 174.39 2jtm s GLY 39 N -0.32 0.90 -0.24 6.18 0.00 -0.10 -0.97 107.32 112.78 2jtm s GLY 39 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.62 2jtm s GLY 39 CO -0.00 -1.03 0.28 -2.27 0.00 0.00 0.00 173.10 170.08 2jtm s LEU 40 N -1.69 4.10 0.54 0.66 2.96 -0.31 -0.77 118.68 124.18 2jtm s LEU 40 Ca -0.01 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 2jtm s LEU 40 Cb -0.10 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.30 2jtm s LEU 40 CO 0.02 -0.04 0.08 -0.36 -1.32 0.00 0.00 176.35 174.73 2jtm s PHE 41 N 1.43 1.69 -0.18 5.38 0.08 0.13 0.05 117.98 126.57 2jtm s PHE 41 Ca 0.13 -0.99 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 2jtm s PHE 41 Cb -0.15 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2jtm s PHE 41 CO 0.07 0.05 -0.04 0.21 -0.10 0.00 0.00 175.22 175.42 2jtm s LYS 42 N -3.98 1.38 0.21 0.44 2.20 -1.26 -0.63 119.74 118.10 2jtm s LYS 42 Ca 0.06 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 2jtm s LYS 42 Cb -0.00 -2.15 -0.10 0.00 -1.51 0.00 0.00 37.83 34.07 2jtm s LYS 42 CO 0.04 -0.49 1.45 0.34 -0.36 0.00 0.00 175.35 176.33 2jtm s ASP 43 N 1.61 6.68 0.40 1.43 -1.08 0.94 -4.91 116.67 121.74 2jtm s ASP 43 Ca -0.01 2.59 0.11 0.00 -0.52 0.00 0.00 52.55 54.72 2jtm s ASP 43 Cb -0.16 -2.61 0.83 0.00 -1.46 0.00 0.00 42.92 39.52 2jtm s ASP 43 CO -0.07 -0.71 1.93 1.55 0.52 0.00 0.00 175.17 178.39 2jtm h PRO 44 N 5.68 0.16 0.00 4.34 0.13 -1.95 0.14 132.00 140.50 2jtm h PRO 44 Ca -0.45 -0.04 -0.35 0.00 -0.87 0.00 0.00 66.00 64.29 2jtm h PRO 44 Cb 1.21 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2jtm h PRO 44 CO 0.82 0.33 -2.24 0.39 -0.23 0.00 0.00 178.00 177.06 2jtm n GLU 45 N -4.27 0.68 -0.01 0.86 1.02 -1.26 -4.51 120.64 113.14 2jtm n GLU 45 Ca -0.01 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.27 2jtm n GLU 45 Cb 0.27 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.85 0.08 -0.71 2.62 -2.24 -1.24 -4.99 114.28 104.95 2jtm n THR 46 Ca -0.30 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2jtm n THR 46 Cb 1.13 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.56 1.45 3.85 3.38 0.00 0.47 -4.99 105.19 110.91 2jtm n GLY 47 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 3.26 -0.25 1.61 -2.85 -1.26 -4.53 119.74 115.67 2jtm s LYS 48 Ca 0.00 0.77 -0.17 0.00 -1.00 0.00 0.00 55.97 55.57 2jtm s LYS 48 Cb 0.00 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 33.70 2jtm s LYS 48 CO 0.00 -0.82 0.48 0.71 0.10 0.00 0.00 175.35 175.82 2jtm s TYR 49 N -3.16 3.28 -0.02 1.78 1.51 -1.26 -0.04 117.35 119.44 2jtm s TYR 49 Ca 0.56 0.61 0.06 0.00 -1.01 0.00 0.00 57.07 57.29 2jtm s TYR 49 Cb -0.12 -2.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.04 2jtm s TYR 49 CO 0.54 -0.24 -0.20 -0.59 -1.11 0.00 0.00 175.55 173.95 2jtm s PHE 50 N 2.16 1.81 -0.06 2.71 -0.71 0.20 -4.90 117.98 119.19 2jtm s PHE 50 Ca 0.20 -0.35 -0.15 0.00 -1.04 0.00 0.00 56.93 55.59 2jtm s PHE 50 Cb -0.16 -1.17 -0.05 0.00 -1.21 0.00 0.00 43.02 40.43 2jtm s PHE 50 CO 0.09 -0.04 0.39 -0.98 -1.34 0.00 0.00 175.22 173.35 2jtm s ARG 51 N -0.46 4.06 0.01 1.99 1.70 -1.26 0.20 118.95 125.19 2jtm s ARG 51 Ca 0.07 0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 2jtm s ARG 51 Cb -0.08 -3.31 -0.01 0.00 -0.57 0.00 0.00 34.95 30.98 2jtm s ARG 51 CO -0.01 0.49 -0.02 -1.58 -1.08 0.00 0.00 175.30 173.10 2jtm s HIS 52 N -0.40 0.21 0.36 5.89 2.46 0.05 -4.95 115.29 118.91 2jtm s HIS 52 Ca 0.23 -0.34 -0.28 0.00 0.47 0.00 0.00 55.06 55.14 2jtm s HIS 52 Cb -0.15 -0.15 -0.10 0.00 -0.13 0.00 0.00 32.58 32.05 2jtm s HIS 52 CO 0.11 -0.11 1.37 0.21 -2.47 0.00 0.00 174.74 173.84 2jtm s LYS 53 N -0.94 4.23 0.60 2.88 2.20 -1.26 -0.92 119.74 126.52 2jtm s LYS 53 Ca -0.10 2.34 0.05 0.00 -0.36 0.00 0.00 55.97 57.90 2jtm s LYS 53 Cb -0.06 -3.00 0.08 0.00 -1.51 0.00 0.00 37.83 33.34 2jtm s LYS 53 CO -0.01 -0.34 0.83 -0.51 -0.36 0.00 0.00 175.35 174.96 2jtm s LEU 54 N -1.97 3.16 0.33 5.43 1.43 0.19 -4.84 118.68 122.41 2jtm s LEU 54 Ca 0.51 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 2jtm s LEU 54 Cb -0.42 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 2jtm s LEU 54 CO 0.56 -1.41 1.31 -2.84 0.23 0.00 0.00 176.35 174.20 2jtm s PRO 55 N -4.79 4.35 0.57 1.29 0.02 -1.26 -4.65 135.00 130.54 2jtm s PRO 55 Ca 0.62 2.21 0.31 0.00 0.02 0.00 0.00 61.00 64.16 2jtm s PRO 55 Cb -0.07 -3.07 1.75 0.00 0.02 0.00 0.00 34.50 33.14 2jtm s PRO 55 CO 0.40 -0.19 2.19 -0.44 -0.33 0.00 0.00 177.00 178.63 2jtm h ASP 56 N 3.37 0.00 -0.39 2.53 5.19 -1.92 -1.17 116.42 124.03 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 0.05 0.00 0.47 -3.12 0.00 0.00 179.24 177.29 2jtm n ASP 57 N -3.62 3.77 -4.71 6.45 8.00 -1.26 -4.92 116.55 120.26 2jtm n ASP 57 Ca -0.02 -2.50 -0.42 0.00 0.71 0.00 0.00 54.79 52.55 2jtm n ASP 57 Cb 0.15 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jtm s TYR 58 N -1.91 3.11 -0.35 1.24 5.04 -0.44 -4.92 117.35 119.10 2jtm s TYR 58 Ca 0.37 0.87 -0.28 0.00 -2.44 0.00 0.00 57.07 55.59 2jtm s TYR 58 Cb 0.26 -3.71 -0.03 0.00 0.35 0.00 0.00 41.96 38.83 2jtm s TYR 58 CO 0.15 -2.56 1.92 -1.25 -1.34 0.00 0.00 175.55 172.48 2jtm s PRO 59 N 1.44 3.13 0.00 4.97 0.04 -1.26 -4.99 135.00 138.32 2jtm s PRO 59 Ca 0.65 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2jtm s PRO 59 Cb -0.36 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2jtm s PRO 59 CO 0.30 -2.11 0.00 0.44 0.04 0.00 0.00 177.00 175.67