#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 6.97 -0.24 7.83 0.01 -1.26 -4.97 113.70 122.04 2jtm s SER 2 Ca 0.00 2.44 -0.26 0.00 1.31 0.00 0.00 55.95 59.45 2jtm s SER 2 Cb 0.00 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jtm s SER 2 CO 0.00 -0.42 0.89 -0.44 0.41 0.00 0.00 173.24 173.68 2jtm s SER 3 N -0.24 6.91 0.00 2.44 0.01 -1.26 -4.43 113.70 117.13 2jtm s SER 3 Ca 0.51 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2jtm s SER 3 Cb -0.36 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2jtm s SER 3 CO 0.43 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2jtm n GLY 4 N 3.62 0.68 3.52 3.44 0.00 -1.26 -5.10 105.19 110.09 2jtm n GLY 4 Ca 0.07 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 1.75 -0.04 1.61 1.02 -1.26 -5.14 119.74 117.67 2jtm s LYS 5 Ca 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 55.97 54.04 2jtm s LYS 5 Cb 0.00 -1.39 0.03 0.00 -0.52 0.00 0.00 37.83 35.95 2jtm s LYS 5 CO 0.00 0.00 0.04 0.15 -0.92 0.00 0.00 175.35 174.62 2jtm s LYS 6 N -3.72 0.14 0.30 1.68 1.02 -1.26 -4.81 119.74 113.09 2jtm s LYS 6 Ca 0.33 0.26 -0.04 0.00 0.02 0.00 0.00 55.97 56.54 2jtm s LYS 6 Cb 0.06 -0.60 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2jtm s LYS 6 CO 0.15 -0.29 0.56 -1.25 -0.92 0.00 0.00 175.35 173.61 2jtm s PRO 7 N 1.89 3.60 0.09 -1.68 0.04 -1.26 -4.18 135.00 133.50 2jtm s PRO 7 Ca 0.02 -0.05 0.05 0.00 0.04 0.00 0.00 61.00 61.06 2jtm s PRO 7 Cb -0.12 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 2jtm s PRO 7 CO -0.03 0.19 -0.13 0.54 0.04 0.00 0.00 177.00 177.61 2jtm s VAL 8 N -2.14 1.11 -0.41 -0.36 0.11 -0.12 -4.92 120.40 113.66 2jtm s VAL 8 Ca 0.43 -1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 57.74 2jtm s VAL 8 Cb -0.11 -1.21 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 2jtm s VAL 8 CO 0.31 -0.33 1.32 -0.75 -3.33 0.00 0.00 175.10 172.32 2jtm s LYS 9 N -2.13 3.67 0.02 1.54 2.20 -1.26 -0.99 119.74 122.79 2jtm s LYS 9 Ca 0.02 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.54 2jtm s LYS 9 Cb -0.08 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 2jtm s LYS 9 CO 0.02 -1.44 -0.11 0.54 -0.36 0.00 0.00 175.35 174.00 2jtm s VAL 10 N 4.99 0.82 0.19 4.02 0.11 0.21 -4.96 120.40 125.78 2jtm s VAL 10 Ca 0.57 -0.79 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 2jtm s VAL 10 Cb -0.12 -0.75 -0.08 0.00 -1.53 0.00 0.00 36.38 33.89 2jtm s VAL 10 CO 0.31 -0.02 0.88 -0.54 -3.33 0.00 0.00 175.10 172.39 2jtm s LYS 11 N -0.91 4.73 0.34 1.54 1.02 -1.26 -1.75 119.74 123.44 2jtm s LYS 11 Ca -0.00 1.36 -0.00 0.00 0.02 0.00 0.00 55.97 57.34 2jtm s LYS 11 Cb -0.07 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2jtm s LYS 11 CO 0.01 0.49 0.55 0.95 -0.92 0.00 0.00 175.35 176.42 2jtm s THR 12 N -0.98 5.09 -0.06 2.17 -4.23 0.13 -4.96 115.64 112.81 2jtm s THR 12 Ca 0.40 -0.37 0.30 0.00 -1.18 0.00 0.00 61.69 60.84 2jtm s THR 12 Cb -0.24 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.08 2jtm s THR 12 CO 0.29 -0.52 1.91 -0.65 -0.54 0.00 0.00 174.62 175.11 2jtm h PRO 13 N 0.91 0.00 0.00 3.99 0.11 -1.97 -1.95 132.00 133.09 2jtm h PRO 13 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jtm h PRO 13 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jtm h PRO 13 CO 0.62 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 178.06 2jtm n ALA 14 N -1.94 2.97 0.00 -0.75 0.00 -1.26 -4.93 120.51 114.61 2jtm n ALA 14 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jtm n ALA 14 Cb 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.45 1.24 3.91 0.00 0.00 -0.73 -5.10 105.19 105.95 2jtm n GLY 15 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2jtm n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtm s LYS 16 N -0.01 2.73 -0.13 1.61 -0.14 -1.25 -4.90 119.74 117.66 2jtm s LYS 16 Ca 0.00 -1.33 -0.02 0.00 -1.36 0.00 0.00 55.97 53.26 2jtm s LYS 16 Cb 0.00 -2.55 0.04 0.00 -1.68 0.00 0.00 37.83 33.64 2jtm s LYS 16 CO 0.00 -0.09 0.03 -1.21 -0.76 0.00 0.00 175.35 173.32 2jtm s GLU 17 N -4.14 0.53 0.15 1.68 2.02 -1.26 0.18 118.70 117.85 2jtm s GLU 17 Ca 0.47 -0.10 -0.10 0.00 0.02 0.00 0.00 54.97 55.26 2jtm s GLU 17 Cb -0.06 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 2jtm s GLU 17 CO 0.29 -0.48 0.29 0.00 0.02 0.00 0.00 175.26 175.38 2jtm s ALA 18 N 1.96 -0.15 -0.50 5.21 0.00 -0.72 -4.98 121.76 122.58 2jtm s ALA 18 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2jtm s ALA 18 Cb -0.15 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.82 2jtm s ALA 18 CO -0.07 -0.63 0.55 -1.21 0.00 0.00 0.00 175.76 174.41 2jtm s GLU 19 N -3.93 3.07 0.14 0.00 2.02 -1.26 -0.61 118.70 118.12 2jtm s GLU 19 Ca 0.13 -1.07 0.06 0.00 0.02 0.00 0.00 54.97 54.12 2jtm s GLU 19 Cb 0.03 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 2jtm s GLU 19 CO -0.03 -1.17 0.03 -0.51 0.02 0.00 0.00 175.26 173.60 2jtm s LEU 20 N 2.30 3.50 -0.23 1.80 1.43 -0.16 -4.78 118.68 122.54 2jtm s LEU 20 Ca 0.11 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2jtm s LEU 20 Cb -0.21 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2jtm s LEU 20 CO 0.10 0.12 0.15 0.54 0.23 0.00 0.00 176.35 177.49 2jtm s VAL 21 N -1.55 5.37 0.11 -1.59 0.11 -1.26 -0.95 120.40 120.64 2jtm s VAL 21 Ca 0.28 0.19 -0.31 0.00 -2.93 0.00 0.00 61.98 59.20 2jtm s VAL 21 Cb -0.11 -3.49 -0.08 0.00 -1.53 0.00 0.00 36.38 31.18 2jtm s VAL 21 CO 0.20 0.37 1.35 -2.16 -3.33 0.00 0.00 175.10 171.52 2jtm s PRO 22 N 0.87 4.35 0.18 1.54 0.04 -1.26 -4.70 135.00 136.01 2jtm s PRO 22 Ca 0.08 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.25 2jtm s PRO 22 Cb -0.13 -3.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2jtm s PRO 22 CO 0.03 -0.38 1.28 0.93 0.04 0.00 0.00 177.00 178.90 2jtm h GLU 23 N 6.64 0.00 -3.22 4.56 4.39 -0.57 -3.44 114.58 122.93 2jtm h GLU 23 Ca -0.42 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.05 2jtm h GLU 23 Cb 1.21 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.55 2jtm h GLU 23 CO 0.84 0.69 -0.57 0.21 -1.16 0.00 0.00 179.01 179.03 2jtm s LYS 24 N -2.83 0.12 -0.03 2.33 2.20 -1.24 -4.97 119.74 115.33 2jtm s LYS 24 Ca 0.02 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 2jtm s LYS 24 Cb 0.09 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 2jtm s LYS 24 CO 0.79 -0.15 -0.22 0.14 -0.36 0.00 0.00 175.35 175.55 2jtm s VAL 25 N 1.07 1.74 0.05 4.02 -7.23 -1.26 -0.40 120.40 118.39 2jtm s VAL 25 Ca -0.08 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2jtm s VAL 25 Cb -0.10 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 2jtm s VAL 25 CO -0.06 0.49 0.04 -1.66 -0.31 0.00 0.00 175.10 173.60 2jtm s TRP 26 N -0.39 0.37 0.16 2.82 -2.14 0.08 -5.00 118.94 114.85 2jtm s TRP 26 Ca 0.05 -0.83 0.09 0.00 2.66 0.00 0.00 56.10 58.07 2jtm s TRP 26 Cb -0.10 -0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 29.97 2jtm s TRP 26 CO 0.00 -0.40 -0.20 0.00 -2.66 0.00 0.00 176.95 173.69 2jtm s ALA 27 N -3.51 2.13 -0.36 2.67 0.00 -1.26 -0.20 121.76 121.22 2jtm s ALA 27 Ca 0.03 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2jtm s ALA 27 Cb 0.05 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.05 2jtm s ALA 27 CO -0.09 0.31 0.15 -0.51 0.00 0.00 0.00 175.76 175.62 2jtm s LEU 28 N -2.56 2.71 -0.51 0.00 1.02 0.87 -4.98 118.68 115.24 2jtm s LEU 28 Ca 0.16 -2.08 -0.04 0.00 0.02 0.00 0.00 54.13 52.19 2jtm s LEU 28 Cb -0.07 -1.02 0.13 0.00 0.02 0.00 0.00 46.19 45.25 2jtm s LEU 28 CO 0.07 -0.35 0.33 0.00 0.02 0.00 0.00 176.35 176.42 2jtm s ALA 29 N 1.05 3.38 0.19 4.21 0.00 -1.26 -1.93 121.76 127.40 2jtm s ALA 29 Ca 0.13 -2.84 -0.27 0.00 0.00 0.00 0.00 51.96 48.98 2jtm s ALA 29 Cb -0.20 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 2jtm s ALA 29 CO -0.13 -1.95 0.85 -2.14 0.00 0.00 0.00 175.76 172.39 2jtm s PRO 30 N 0.69 4.69 0.08 0.00 0.02 -1.26 -4.98 135.00 134.24 2jtm s PRO 30 Ca 0.11 1.31 -0.31 0.00 0.02 0.00 0.00 61.00 62.13 2jtm s PRO 30 Cb -0.22 -3.28 -0.08 0.00 0.02 0.00 0.00 34.50 30.94 2jtm s PRO 30 CO -0.04 0.52 1.54 -1.59 -0.33 0.00 0.00 177.00 177.11 2jtm s LYS 31 N -1.05 4.24 0.00 5.54 -2.85 -1.26 -1.47 119.74 122.89 2jtm s LYS 31 Ca 0.39 2.22 0.00 0.00 -1.00 0.00 0.00 55.97 57.58 2jtm s LYS 31 Cb -0.24 -3.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.08 2jtm s LYS 31 CO 0.29 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.52 2jtm n GLY 32 N 3.80 0.82 0.00 0.59 0.00 -1.26 -5.01 105.19 104.12 2jtm n GLY 32 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 2.42 -4.11 1.61 5.12 -0.54 -5.14 116.66 114.02 2jtm n ARG 33 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 2jtm n ARG 33 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 2jtm n ARG 33 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2jtm s LYS 34 N -1.23 2.64 -1.00 5.56 1.02 -1.26 -4.82 119.74 120.65 2jtm s LYS 34 Ca 0.00 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 2jtm s LYS 34 Cb 0.00 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 2jtm s LYS 34 CO 0.00 0.54 1.42 0.20 -0.92 0.00 0.00 175.35 176.59 2jtm s GLY 35 N -2.35 1.28 0.52 -3.33 0.00 -1.26 -4.40 107.32 97.79 2jtm s GLY 35 Ca 0.27 -2.24 -0.19 0.00 0.00 0.00 0.00 44.72 42.56 2jtm s GLY 35 CO 0.19 2.64 1.04 -1.34 0.00 0.00 0.00 173.10 175.63 2jtm s VAL 36 N 4.87 3.87 0.09 1.40 -7.23 -0.81 -4.43 120.40 118.16 2jtm s VAL 36 Ca 0.44 1.05 0.05 0.00 -1.81 0.00 0.00 61.98 61.72 2jtm s VAL 36 Cb -0.01 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2jtm s VAL 36 CO -0.09 -0.36 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.66 2jtm s LYS 37 N -3.56 0.88 -0.02 4.82 1.02 -1.25 -0.09 119.74 121.54 2jtm s LYS 37 Ca 0.65 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2jtm s LYS 37 Cb -0.15 -0.86 0.01 0.00 -0.52 0.00 0.00 37.83 36.30 2jtm s LYS 37 CO 0.26 0.18 -0.03 0.42 -0.92 0.00 0.00 175.35 175.26 2jtm s ILE 38 N -1.53 0.31 0.07 2.17 1.01 0.73 0.69 121.20 124.64 2jtm s ILE 38 Ca 0.01 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2jtm s ILE 38 Cb -0.08 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 2jtm s ILE 38 CO 0.02 0.12 -0.21 -0.83 0.00 0.00 0.00 174.94 174.05 2jtm s GLY 39 N 0.33 1.18 -0.20 6.18 0.00 0.19 -0.74 107.32 114.26 2jtm s GLY 39 Ca -0.03 -1.15 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 2jtm s GLY 39 CO -0.01 -1.11 0.35 -2.27 0.00 0.00 0.00 173.10 170.07 2jtm s LEU 40 N -1.53 4.17 0.41 0.66 2.96 0.46 -0.50 118.68 125.31 2jtm s LEU 40 Ca 0.07 0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 2jtm s LEU 40 Cb -0.09 -2.45 -0.07 0.00 0.50 0.00 0.00 46.19 44.08 2jtm s LEU 40 CO 0.03 -0.03 0.02 -0.36 -1.32 0.00 0.00 176.35 174.69 2jtm s PHE 41 N 1.12 2.38 -0.14 5.38 0.40 0.14 0.25 117.98 127.51 2jtm s PHE 41 Ca 0.17 -0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 55.76 2jtm s PHE 41 Cb -0.14 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2jtm s PHE 41 CO 0.07 0.36 -0.12 0.21 0.70 0.00 0.00 175.22 176.45 2jtm s LYS 42 N -3.75 3.40 -0.19 0.44 2.20 -1.26 -0.21 119.74 120.37 2jtm s LYS 42 Ca 0.32 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 2jtm s LYS 42 Cb 0.09 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 2jtm s LYS 42 CO 0.16 0.17 1.00 0.34 -0.36 0.00 0.00 175.35 176.67 2jtm s ASP 43 N 0.46 7.12 0.00 1.43 2.15 0.14 -4.92 116.67 123.05 2jtm s ASP 43 Ca -0.09 1.39 0.30 0.00 0.43 0.00 0.00 52.55 54.58 2jtm s ASP 43 Cb -0.16 -2.53 1.69 0.00 -0.30 0.00 0.00 42.92 41.62 2jtm s ASP 43 CO 0.04 -0.58 2.08 -0.81 -0.17 0.00 0.00 175.17 175.74 2jtm n PRO 44 N 5.86 0.79 -0.13 4.34 -0.04 -1.26 -0.72 135.00 143.84 2jtm n PRO 44 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 2jtm n PRO 44 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.08 0.58 -0.05 0.54 4.07 -1.26 -4.65 120.64 118.79 2jtm n GLU 45 Ca 0.20 0.34 -0.17 0.00 -0.06 0.00 0.00 57.16 57.47 2jtm n GLU 45 Cb 0.14 -1.55 -0.14 0.00 -0.06 0.00 0.00 31.44 29.83 2jtm n GLU 45 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2jtm n THR 46 N -4.31 1.62 0.00 6.31 -2.24 -1.25 -5.00 114.28 109.41 2jtm n THR 46 Ca -0.47 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 2jtm n THR 46 Cb 0.81 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 1.98 0.66 3.88 3.38 0.00 0.10 -5.07 105.19 110.12 2jtm n GLY 47 Ca -0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.59 3.01 -0.16 1.61 -2.85 -1.24 -4.61 119.74 114.91 2jtm s LYS 48 Ca 0.00 0.52 -0.12 0.00 -1.00 0.00 0.00 55.97 55.38 2jtm s LYS 48 Cb 0.00 -2.03 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 2jtm s LYS 48 CO 0.00 -0.94 0.22 0.71 0.10 0.00 0.00 175.35 175.44 2jtm s TYR 49 N -3.32 3.47 -0.01 1.78 2.02 -1.26 0.29 117.35 120.31 2jtm s TYR 49 Ca 0.58 0.50 0.04 0.00 -0.37 0.00 0.00 57.07 57.82 2jtm s TYR 49 Cb -0.11 -2.23 -0.01 0.00 -0.40 0.00 0.00 41.96 39.21 2jtm s TYR 49 CO 0.52 0.32 -0.14 -0.59 -1.57 0.00 0.00 175.55 174.10 2jtm s PHE 50 N 0.21 1.27 0.08 2.71 -0.71 0.71 -4.93 117.98 117.34 2jtm s PHE 50 Ca 0.13 -0.25 -0.15 0.00 -1.04 0.00 0.00 56.93 55.62 2jtm s PHE 50 Cb -0.12 -0.83 -0.06 0.00 -1.21 0.00 0.00 43.02 40.80 2jtm s PHE 50 CO 0.02 -0.03 0.50 -0.98 -1.34 0.00 0.00 175.22 173.39 2jtm s ARG 51 N -0.29 4.00 -0.10 1.99 1.70 -1.26 0.29 118.95 125.28 2jtm s ARG 51 Ca 0.05 0.50 -0.07 0.00 -0.47 0.00 0.00 55.73 55.74 2jtm s ARG 51 Cb -0.06 -3.10 0.03 0.00 -0.57 0.00 0.00 34.95 31.26 2jtm s ARG 51 CO -0.00 0.59 0.25 -1.58 -1.08 0.00 0.00 175.30 173.47 2jtm s HIS 52 N -1.26 -0.30 0.26 5.89 2.46 0.35 -4.96 115.29 117.74 2jtm s HIS 52 Ca 0.31 0.71 -0.30 0.00 0.47 0.00 0.00 55.06 56.26 2jtm s HIS 52 Cb -0.17 0.08 -0.10 0.00 -0.13 0.00 0.00 32.58 32.26 2jtm s HIS 52 CO 0.17 -0.17 1.47 -1.59 -2.47 0.00 0.00 174.74 172.15 2jtm s LYS 53 N 0.58 4.24 0.48 2.88 -2.85 -1.26 -0.64 119.74 123.16 2jtm s LYS 53 Ca -0.04 2.36 0.05 0.00 -1.00 0.00 0.00 55.97 57.35 2jtm s LYS 53 Cb -0.05 -3.09 0.02 0.00 -2.06 0.00 0.00 37.83 32.65 2jtm s LYS 53 CO -0.03 -0.46 0.66 -0.51 0.10 0.00 0.00 175.35 175.11 2jtm s LEU 54 N -0.50 3.49 0.61 2.77 1.43 0.22 -4.87 118.68 121.84 2jtm s LEU 54 Ca 0.60 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.28 2jtm s LEU 54 Cb -0.43 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 2jtm s LEU 54 CO 0.45 -0.93 1.17 -2.84 0.23 0.00 0.00 176.35 174.43 2jtm s PRO 55 N -4.53 2.92 0.48 1.29 0.02 -1.26 -3.97 135.00 129.95 2jtm s PRO 55 Ca 0.56 1.67 0.30 0.00 0.02 0.00 0.00 61.00 63.56 2jtm s PRO 55 Cb -0.10 -1.94 1.14 0.00 0.02 0.00 0.00 34.50 33.62 2jtm s PRO 55 CO 0.35 -1.21 1.88 0.38 -0.33 0.00 0.00 177.00 178.08 2jtm h ASP 56 N 0.62 0.00 0.04 2.53 2.03 -1.93 -2.37 116.42 117.34 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2jtm h ASP 56 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2jtm h ASP 56 CO 0.55 0.00 -0.13 -0.67 -1.03 0.00 0.00 179.24 177.96 2jtm n ASP 57 N -2.95 1.83 -4.70 4.15 2.03 -1.26 -4.75 116.55 110.89 2jtm n ASP 57 Ca 0.01 -1.48 -0.42 0.00 0.52 0.00 0.00 54.79 53.42 2jtm n ASP 57 Cb 0.33 0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.18 2.76 -0.53 -0.67 5.04 -0.89 -4.90 117.35 115.98 2jtm s TYR 58 Ca 0.30 0.54 -0.28 0.00 -2.44 0.00 0.00 57.07 55.19 2jtm s TYR 58 Cb 0.20 -3.89 -0.00 0.00 0.35 0.00 0.00 41.96 38.61 2jtm s TYR 58 CO 0.40 -3.42 1.63 -1.25 -1.34 0.00 0.00 175.55 171.57 2jtm s PRO 59 N 1.97 3.11 0.00 4.97 0.04 -1.26 -4.99 135.00 138.83 2jtm s PRO 59 Ca 0.71 0.70 0.02 0.00 0.04 0.00 0.00 61.00 62.47 2jtm s PRO 59 Cb -0.40 -4.22 0.02 0.00 0.04 0.00 0.00 34.50 29.94 2jtm s PRO 59 CO 0.31 -2.16 0.57 0.44 0.04 0.00 0.00 177.00 176.20