#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 0.82 -4.68 7.83 7.64 -1.26 -4.84 113.62 119.14 2jtm n SER 2 Ca 0.00 -0.72 -0.47 0.00 1.01 0.00 0.00 58.87 58.69 2jtm n SER 2 Cb 0.00 0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2jtm n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jtm n SER 3 N -0.83 3.54 0.00 6.43 3.41 -1.26 -0.37 113.62 124.55 2jtm n SER 3 Ca 0.12 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 2jtm n SER 3 Cb 0.33 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtm n GLY 4 N 4.30 2.65 7.00 5.00 0.00 -1.26 -5.01 105.19 117.86 2jtm n GLY 4 Ca 0.21 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 -3.86 1.61 5.02 0.50 -4.74 118.16 116.70 2jtm n LYS 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2jtm n LYS 5 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2jtm n LYS 5 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jtm s LYS 6 N 0.00 1.20 0.69 1.97 -2.85 -1.26 -5.08 119.74 114.40 2jtm s LYS 6 Ca 0.00 -0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 53.94 2jtm s LYS 6 Cb 0.00 -2.40 0.01 0.00 -2.06 0.00 0.00 37.83 33.38 2jtm s LYS 6 CO 0.00 -0.70 1.07 -1.25 0.10 0.00 0.00 175.35 174.57 2jtm s PRO 7 N 1.52 2.86 0.07 1.78 0.04 -1.26 -4.46 135.00 135.56 2jtm s PRO 7 Ca -0.01 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.14 2jtm s PRO 7 Cb -0.18 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2jtm s PRO 7 CO -0.10 -1.16 -0.11 0.54 0.04 0.00 0.00 177.00 176.20 2jtm s VAL 8 N -2.87 0.91 -0.43 -0.36 0.11 -0.46 -4.90 120.40 112.41 2jtm s VAL 8 Ca 0.60 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 2jtm s VAL 8 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2jtm s VAL 8 CO 0.51 -0.35 1.42 -0.54 -3.33 0.00 0.00 175.10 172.82 2jtm s LYS 9 N -1.93 3.53 0.05 1.54 1.02 -1.26 -1.23 119.74 121.47 2jtm s LYS 9 Ca -0.03 0.89 0.03 0.00 0.02 0.00 0.00 55.97 56.89 2jtm s LYS 9 Cb -0.08 -4.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2jtm s LYS 9 CO 0.01 -1.62 -0.11 0.54 -0.92 0.00 0.00 175.35 173.25 2jtm s VAL 10 N 5.56 0.79 -0.09 3.17 0.11 0.08 -4.95 120.40 125.07 2jtm s VAL 10 Ca 0.61 -1.17 -0.24 0.00 -2.93 0.00 0.00 61.98 58.24 2jtm s VAL 10 Cb -0.13 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2jtm s VAL 10 CO 0.32 -0.31 0.74 -0.54 -3.33 0.00 0.00 175.10 171.98 2jtm s LYS 11 N -1.64 4.41 0.93 1.54 1.02 -1.26 -1.75 119.74 122.99 2jtm s LYS 11 Ca -0.06 0.93 -0.13 0.00 0.02 0.00 0.00 55.97 56.73 2jtm s LYS 11 Cb -0.10 -3.48 0.15 0.00 -0.52 0.00 0.00 37.83 33.88 2jtm s LYS 11 CO 0.01 -0.04 1.14 0.95 -0.92 0.00 0.00 175.35 176.49 2jtm s THR 12 N 1.14 1.98 -0.12 2.17 -4.23 0.23 -4.88 115.64 111.94 2jtm s THR 12 Ca 0.38 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.18 2jtm s THR 12 Cb -0.18 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.24 2jtm s THR 12 CO 0.17 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.46 2jtm h PRO 13 N -1.57 0.00 0.00 3.99 0.11 -1.97 0.16 132.00 132.72 2jtm h PRO 13 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2jtm h PRO 13 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2jtm h PRO 13 CO 0.60 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.31 2jtm h ALA 14 N 2.11 0.97 0.00 -0.75 0.00 -2.02 -3.47 119.26 116.10 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 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2jtm n GLY 15 N 0.60 0.92 3.67 0.00 0.00 0.04 -5.08 105.19 105.35 2jtm n GLY 15 Ca 0.02 -0.04 -0.25 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 -0.70 2.14 0.04 1.61 -2.85 -1.26 -4.83 119.74 113.90 2jtm s LYS 16 Ca 0.00 -1.78 -0.20 0.00 -1.00 0.00 0.00 55.97 52.99 2jtm s LYS 16 Cb 0.00 -1.95 -0.06 0.00 -2.06 0.00 0.00 37.83 33.76 2jtm s LYS 16 CO 0.00 0.05 0.59 -1.21 0.10 0.00 0.00 175.35 174.88 2jtm s GLU 17 N -3.78 4.27 0.03 1.78 8.01 -1.26 -0.60 118.70 127.14 2jtm s GLU 17 Ca 0.37 0.76 -0.28 0.00 0.01 0.00 0.00 54.97 55.83 2jtm s GLU 17 Cb 0.01 -3.28 0.08 0.00 -4.31 0.00 0.00 34.13 26.63 2jtm s GLU 17 CO 0.20 0.52 0.68 0.00 0.01 0.00 0.00 175.26 176.68 2jtm s ALA 18 N -0.71 -1.72 -0.53 5.21 0.00 -0.72 -4.94 121.76 118.35 2jtm s ALA 18 Ca 0.30 1.00 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 2jtm s ALA 18 Cb -0.19 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.30 2jtm s ALA 18 CO 0.19 -0.54 0.79 -1.21 0.00 0.00 0.00 175.76 174.98 2jtm s GLU 19 N -2.30 3.22 -0.09 0.00 2.02 -1.26 -0.74 118.70 119.55 2jtm s GLU 19 Ca -0.05 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 2jtm s GLU 19 Cb -0.00 -4.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 2jtm s GLU 19 CO -0.01 -1.37 -0.02 -0.51 0.02 0.00 0.00 175.26 173.37 2jtm s LEU 20 N 3.31 3.43 -0.29 1.80 1.43 -0.36 -4.78 118.68 123.22 2jtm s LEU 20 Ca 0.23 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 2jtm s LEU 20 Cb -0.16 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2jtm s LEU 20 CO 0.15 0.36 0.56 0.54 0.23 0.00 0.00 176.35 178.19 2jtm s VAL 21 N -0.76 5.01 0.21 -1.59 0.11 -1.26 -1.36 120.40 120.76 2jtm s VAL 21 Ca 0.12 0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 59.66 2jtm s VAL 21 Cb -0.11 -3.91 -0.08 0.00 -1.53 0.00 0.00 36.38 30.74 2jtm s VAL 21 CO 0.02 -0.05 1.16 -2.16 -3.33 0.00 0.00 175.10 170.75 2jtm s PRO 22 N 2.44 4.53 -0.04 1.54 0.04 -1.26 -4.68 135.00 137.57 2jtm s PRO 22 Ca 0.22 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 2jtm s PRO 22 Cb -0.15 -3.23 -0.32 0.00 0.04 0.00 0.00 34.50 30.84 2jtm s PRO 22 CO 0.11 0.00 0.76 0.93 0.04 0.00 0.00 177.00 178.84 2jtm h GLU 23 N 4.83 0.40 -5.40 4.56 4.39 -1.19 -3.46 114.58 118.71 2jtm h GLU 23 Ca -0.45 -0.68 -0.47 0.00 0.34 0.00 0.00 59.36 58.09 2jtm h GLU 23 Cb 1.21 0.25 -0.26 0.00 -0.10 0.00 0.00 28.75 29.86 2jtm h GLU 23 CO 0.72 1.33 -0.81 0.15 -1.16 0.00 0.00 179.01 179.24 2jtm s LYS 24 N -2.55 1.06 -0.01 2.33 1.02 -1.24 -4.98 119.74 115.37 2jtm s LYS 24 Ca -0.15 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.17 2jtm s LYS 24 Cb 0.04 -1.06 -0.00 0.00 -0.52 0.00 0.00 37.83 36.29 2jtm s LYS 24 CO 0.86 0.27 -0.07 0.14 -0.92 0.00 0.00 175.35 175.64 2jtm s VAL 25 N -0.67 0.58 0.17 3.17 -7.23 -1.26 -0.68 120.40 114.47 2jtm s VAL 25 Ca 0.04 -0.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.80 2jtm s VAL 25 Cb -0.07 -0.51 0.01 0.00 0.56 0.00 0.00 36.38 36.37 2jtm s VAL 25 CO 0.01 0.18 0.39 -1.66 -0.31 0.00 0.00 175.10 173.70 2jtm s TRP 26 N 0.04 0.13 -0.02 2.82 -2.14 0.16 -5.01 118.94 114.92 2jtm s TRP 26 Ca -0.00 -0.49 0.01 0.00 2.66 0.00 0.00 56.10 58.28 2jtm s TRP 26 Cb -0.05 0.15 0.02 0.00 -3.10 0.00 0.00 33.47 30.49 2jtm s TRP 26 CO -0.00 -0.79 -0.02 0.00 -2.66 0.00 0.00 176.95 173.47 2jtm s ALA 27 N -3.91 0.40 -0.74 2.67 0.00 -1.26 -0.06 121.76 118.86 2jtm s ALA 27 Ca 0.12 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2jtm s ALA 27 Cb 0.01 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 22.98 2jtm s ALA 27 CO -0.02 -0.01 0.88 -0.51 0.00 0.00 0.00 175.76 176.10 2jtm s LEU 28 N 0.67 5.33 -0.28 0.00 1.02 0.90 -4.85 118.68 121.47 2jtm s LEU 28 Ca -0.07 -1.73 -0.01 0.00 0.02 0.00 0.00 54.13 52.33 2jtm s LEU 28 Cb -0.11 -2.34 0.09 0.00 0.02 0.00 0.00 46.19 43.86 2jtm s LEU 28 CO -0.01 -1.07 0.07 0.00 0.02 0.00 0.00 176.35 175.36 2jtm s ALA 29 N 2.54 1.43 0.07 4.21 0.00 -1.26 -1.08 121.76 127.66 2jtm s ALA 29 Ca 0.20 -1.40 -0.32 0.00 0.00 0.00 0.00 51.96 50.44 2jtm s ALA 29 Cb -0.15 -1.50 -0.19 0.00 0.00 0.00 0.00 23.12 21.28 2jtm s ALA 29 CO -0.00 -1.51 1.59 -1.35 0.00 0.00 0.00 175.76 174.49 2jtm h PRO 30 N 8.12 -0.82 0.00 0.00 0.11 -1.93 -3.48 132.00 134.00 2jtm h PRO 30 Ca -0.15 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jtm h PRO 30 Cb 1.04 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jtm h PRO 30 CO 0.43 -0.54 0.00 1.17 -0.21 0.00 0.00 178.00 178.86 2jtm n LYS 31 N -5.45 0.00 -1.50 1.05 4.81 -1.26 -4.99 118.16 110.82 2jtm n LYS 31 Ca -0.13 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.01 2jtm n LYS 31 Cb 0.35 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.39 2jtm n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jtm n GLY 32 N -1.37 4.73 3.05 3.14 0.00 -1.26 -4.83 105.19 108.65 2jtm n GLY 32 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.48 0.46 0.34 1.61 0.52 -1.26 -5.03 118.95 113.10 2jtm s ARG 33 Ca 0.54 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 55.08 2jtm s ARG 33 Cb 0.39 0.17 0.61 0.00 0.52 0.00 0.00 34.95 36.64 2jtm s ARG 33 CO -0.23 -0.09 1.86 0.87 0.02 0.00 0.00 175.30 177.73 2jtm h LYS 34 N 4.09 0.46 0.00 3.54 1.57 -1.93 -3.45 116.57 120.85 2jtm h LYS 34 Ca -0.32 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jtm h LYS 34 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jtm h LYS 34 CO 0.48 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 180.31 2jtm n GLY 35 N -0.79 2.40 3.49 3.86 0.00 -1.26 -4.94 105.19 107.95 2jtm n GLY 35 Ca 0.01 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.08 4.64 0.01 1.61 1.01 -0.24 -4.83 120.40 122.52 2jtm s VAL 36 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2jtm s VAL 36 Cb 0.00 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2jtm s VAL 36 CO 0.00 -0.94 0.82 -0.54 0.00 0.00 0.00 175.10 174.44 2jtm s LYS 37 N 3.27 4.52 0.02 2.72 1.02 -1.26 -0.07 119.74 129.95 2jtm s LYS 37 Ca 0.23 1.14 0.02 0.00 0.02 0.00 0.00 55.97 57.38 2jtm s LYS 37 Cb -0.16 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2jtm s LYS 37 CO 0.16 0.14 -0.07 0.42 -0.92 0.00 0.00 175.35 175.09 2jtm s ILE 38 N 0.41 0.50 0.07 2.17 1.01 0.91 0.35 121.20 126.62 2jtm s ILE 38 Ca 0.42 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2jtm s ILE 38 Cb -0.20 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2jtm s ILE 38 CO 0.24 -0.08 -0.11 -0.83 0.00 0.00 0.00 174.94 174.15 2jtm s GLY 39 N -0.73 0.75 -0.25 6.18 0.00 0.37 -0.67 107.32 112.97 2jtm s GLY 39 Ca -0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.61 2jtm s GLY 39 CO 0.00 -1.00 0.22 -2.27 0.00 0.00 0.00 173.10 170.05 2jtm s LEU 40 N -1.82 4.09 0.38 0.66 2.96 0.14 -0.38 118.68 124.71 2jtm s LEU 40 Ca -0.03 0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 2jtm s LEU 40 Cb -0.09 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.33 2jtm s LEU 40 CO 0.01 -0.01 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.65 2jtm s PHE 41 N 1.36 2.45 -0.12 5.38 0.08 0.63 -0.51 117.98 127.25 2jtm s PHE 41 Ca 0.10 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.53 2jtm s PHE 41 Cb -0.14 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2jtm s PHE 41 CO 0.07 0.48 -0.10 0.21 -0.10 0.00 0.00 175.22 175.79 2jtm s LYS 42 N -3.68 1.73 -0.10 0.44 2.20 -1.26 -0.44 119.74 118.63 2jtm s LYS 42 Ca 0.34 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 2jtm s LYS 42 Cb 0.07 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.67 2jtm s LYS 42 CO 0.17 -0.23 1.17 0.34 -0.36 0.00 0.00 175.35 176.44 2jtm s ASP 43 N 1.55 7.07 0.51 1.43 -1.08 0.42 -4.92 116.67 121.65 2jtm s ASP 43 Ca 0.03 1.70 0.30 0.00 -0.52 0.00 0.00 52.55 54.06 2jtm s ASP 43 Cb -0.13 -2.55 1.03 0.00 -1.46 0.00 0.00 42.92 39.81 2jtm s ASP 43 CO -0.08 -0.60 1.86 -0.65 0.52 0.00 0.00 175.17 176.22 2jtm h PRO 44 N 7.55 0.00 0.04 4.34 0.11 -1.91 0.17 132.00 142.30 2jtm h PRO 44 Ca -0.31 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.47 2jtm h PRO 44 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2jtm h PRO 44 CO 0.90 0.03 -1.83 0.39 -0.21 0.00 0.00 178.00 177.29 2jtm n GLU 45 N -3.13 0.64 0.05 1.05 1.02 -1.26 -4.24 120.64 114.77 2jtm n GLU 45 Ca 0.01 0.38 -0.09 0.00 -0.02 0.00 0.00 57.16 57.44 2jtm n GLU 45 Cb 0.39 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2jtm h THR 46 N -0.53 1.43 0.00 2.62 1.35 -1.99 -3.48 112.91 112.32 2jtm h THR 46 Ca -0.45 -3.16 0.00 0.00 -0.55 0.00 0.00 66.41 62.25 2jtm h THR 46 Cb 1.66 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.83 2jtm h THR 46 CO -0.13 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 2jtm n GLY 47 N 1.45 0.56 3.90 5.82 0.00 0.59 -5.05 105.19 112.46 2jtm n GLY 47 Ca -0.07 0.00 -0.29 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 -0.81 3.67 -0.08 1.61 -2.85 -1.22 -4.66 119.74 115.40 2jtm s LYS 48 Ca 0.00 0.12 -0.19 0.00 -1.00 0.00 0.00 55.97 54.90 2jtm s LYS 48 Cb 0.00 -2.60 -0.05 0.00 -2.06 0.00 0.00 37.83 33.13 2jtm s LYS 48 CO 0.00 0.17 0.50 0.71 0.10 0.00 0.00 175.35 176.84 2jtm s TYR 49 N -2.12 3.57 -0.00 1.78 1.51 -1.26 -0.44 117.35 120.40 2jtm s TYR 49 Ca 0.46 0.98 0.02 0.00 -1.01 0.00 0.00 57.07 57.51 2jtm s TYR 49 Cb -0.11 -2.55 -0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2jtm s TYR 49 CO 0.29 0.25 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.35 2jtm s PHE 50 N 0.28 0.48 -0.20 2.71 -0.71 0.42 -4.96 117.98 116.00 2jtm s PHE 50 Ca 0.27 -0.09 -0.14 0.00 -1.04 0.00 0.00 56.93 55.93 2jtm s PHE 50 Cb -0.16 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 2jtm s PHE 50 CO 0.12 -0.01 0.33 -0.98 -1.34 0.00 0.00 175.22 173.34 2jtm s ARG 51 N -0.12 4.18 0.02 1.99 1.70 -1.26 -0.27 118.95 125.19 2jtm s ARG 51 Ca 0.02 0.09 0.04 0.00 -0.47 0.00 0.00 55.73 55.41 2jtm s ARG 51 Cb -0.02 -3.51 -0.02 0.00 -0.57 0.00 0.00 34.95 30.83 2jtm s ARG 51 CO -0.00 0.05 -0.13 -1.58 -1.08 0.00 0.00 175.30 172.55 2jtm s HIS 52 N 1.06 1.15 0.44 5.89 2.46 0.48 -4.93 115.29 121.84 2jtm s HIS 52 Ca 0.16 -0.31 -0.25 0.00 0.47 0.00 0.00 55.06 55.13 2jtm s HIS 52 Cb -0.14 -0.70 -0.08 0.00 -0.13 0.00 0.00 32.58 31.53 2jtm s HIS 52 CO 0.06 0.01 1.28 0.21 -2.47 0.00 0.00 174.74 173.83 2jtm s LYS 53 N -0.90 3.80 0.40 2.88 2.20 -1.26 -0.48 119.74 126.38 2jtm s LYS 53 Ca 0.02 2.08 0.08 0.00 -0.36 0.00 0.00 55.97 57.78 2jtm s LYS 53 Cb -0.07 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 2jtm s LYS 53 CO 0.01 -0.60 0.46 -0.51 -0.36 0.00 0.00 175.35 174.34 2jtm s LEU 54 N -2.72 3.61 0.45 5.43 1.43 0.16 -4.81 118.68 122.23 2jtm s LEU 54 Ca 0.60 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 2jtm s LEU 54 Cb -0.36 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.36 2jtm s LEU 54 CO 0.45 -0.63 1.24 -2.84 0.23 0.00 0.00 176.35 174.81 2jtm s PRO 55 N -4.21 3.74 0.25 1.29 0.02 -1.26 -4.60 135.00 130.24 2jtm s PRO 55 Ca 0.50 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 63.46 2jtm s PRO 55 Cb -0.07 -2.51 0.42 0.00 0.02 0.00 0.00 34.50 32.35 2jtm s PRO 55 CO 0.30 -0.62 1.82 0.22 -0.33 0.00 0.00 177.00 178.39 2jtm h ASP 56 N 2.19 0.73 -0.18 2.53 3.58 -1.94 -1.86 116.42 121.48 2jtm h ASP 56 Ca -0.50 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2jtm h ASP 56 Cb 1.25 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2jtm h ASP 56 CO 0.61 0.42 0.00 -0.67 -2.88 0.00 0.00 179.24 176.71 2jtm n ASP 57 N -4.71 1.58 -4.69 2.28 2.03 -1.26 -4.87 116.55 106.92 2jtm n ASP 57 Ca 0.14 -1.74 -0.42 0.00 0.52 0.00 0.00 54.79 53.29 2jtm n ASP 57 Cb 0.28 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.76 3.08 -0.34 -0.67 5.04 -0.70 -4.96 117.35 117.04 2jtm s TYR 58 Ca 0.30 1.08 -0.29 0.00 -2.44 0.00 0.00 57.07 55.73 2jtm s TYR 58 Cb 0.16 -3.50 0.01 0.00 0.35 0.00 0.00 41.96 38.97 2jtm s TYR 58 CO 0.24 -1.69 1.31 -2.14 -1.34 0.00 0.00 175.55 171.93 2jtm s PRO 59 N 2.28 3.83 0.00 4.97 0.02 -1.26 -4.95 135.00 139.89 2jtm s PRO 59 Ca 0.58 1.12 0.27 0.00 0.02 0.00 0.00 61.00 63.00 2jtm s PRO 59 Cb -0.27 -3.91 0.84 0.00 0.02 0.00 0.00 34.50 31.18 2jtm s PRO 59 CO 0.23 -1.23 1.63 0.44 -0.33 0.00 0.00 177.00 177.74