#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 -2.25 -3.63 7.83 2.88 -1.26 -4.69 113.62 112.50 2jtm n SER 2 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2jtm n SER 2 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 2jtm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jtm s SER 3 N -4.00 2.19 0.00 -3.46 0.15 -1.26 -5.06 113.70 102.27 2jtm s SER 3 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2jtm s SER 3 Cb 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2jtm s SER 3 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2jtm n GLY 4 N 5.27 -0.10 3.14 9.45 0.00 -1.26 -5.05 105.19 116.64 2jtm n GLY 4 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.96 -1.69 -3.97 1.61 4.76 -1.26 -5.01 118.16 111.64 2jtm n LYS 5 Ca 0.00 1.56 -0.31 0.00 -2.87 0.00 0.00 58.31 56.69 2jtm n LYS 5 Cb 0.00 -4.96 -0.15 0.00 -1.84 0.00 0.00 35.03 28.08 2jtm n LYS 5 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jtm s LYS 6 N -3.14 1.39 0.28 1.97 1.02 -1.26 -5.09 119.74 114.91 2jtm s LYS 6 Ca 0.10 -1.80 -0.29 0.00 0.02 0.00 0.00 55.97 53.99 2jtm s LYS 6 Cb -0.02 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 2jtm s LYS 6 CO 0.79 -0.96 1.19 -1.25 -0.92 0.00 0.00 175.35 174.19 2jtm s PRO 7 N 0.94 4.52 0.02 -1.68 0.04 -1.26 -4.48 135.00 133.09 2jtm s PRO 7 Ca 0.11 1.95 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2jtm s PRO 7 Cb -0.19 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 2jtm s PRO 7 CO -0.10 0.02 -0.17 0.54 0.04 0.00 0.00 177.00 177.33 2jtm s VAL 8 N -0.91 1.38 -0.45 -0.36 0.11 0.04 -4.86 120.40 115.35 2jtm s VAL 8 Ca 0.48 -0.95 -0.28 0.00 -2.93 0.00 0.00 61.98 58.30 2jtm s VAL 8 Cb -0.35 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2jtm s VAL 8 CO 0.44 0.22 1.47 -0.54 -3.33 0.00 0.00 175.10 173.36 2jtm s LYS 9 N -0.84 3.45 0.05 1.54 1.02 -1.26 -0.88 119.74 122.82 2jtm s LYS 9 Ca 0.06 0.86 0.09 0.00 0.02 0.00 0.00 55.97 57.00 2jtm s LYS 9 Cb -0.08 -4.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.13 2jtm s LYS 9 CO 0.01 -1.73 -0.26 0.54 -0.92 0.00 0.00 175.35 172.99 2jtm s VAL 10 N 5.86 2.14 -0.28 3.17 0.11 0.40 -4.88 120.40 126.92 2jtm s VAL 10 Ca 0.61 -1.42 -0.29 0.00 -2.93 0.00 0.00 61.98 57.95 2jtm s VAL 10 Cb -0.14 -1.83 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2jtm s VAL 10 CO 0.31 0.34 1.31 -0.54 -3.33 0.00 0.00 175.10 173.18 2jtm s LYS 11 N -1.31 3.95 0.60 1.54 1.02 -1.26 -1.33 119.74 122.94 2jtm s LYS 11 Ca 0.12 1.32 -0.08 0.00 0.02 0.00 0.00 55.97 57.35 2jtm s LYS 11 Cb -0.10 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.33 2jtm s LYS 11 CO 0.02 -1.07 0.95 0.95 -0.92 0.00 0.00 175.35 175.28 2jtm s THR 12 N 4.29 4.09 0.35 2.17 -4.23 0.15 -4.94 115.64 117.53 2jtm s THR 12 Ca 0.57 0.32 0.35 0.00 -1.18 0.00 0.00 61.69 61.75 2jtm s THR 12 Cb -0.18 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.39 2jtm s THR 12 CO 0.22 -0.72 2.08 -0.65 -0.54 0.00 0.00 174.62 175.01 2jtm h PRO 13 N -0.23 0.00 -0.00 3.99 0.11 -1.96 -0.68 132.00 133.24 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jtm h PRO 13 CO 0.62 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.32 2jtm n ALA 14 N -1.95 2.68 -1.70 -0.75 0.00 -1.26 -4.89 120.51 112.64 2jtm n ALA 14 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2jtm n ALA 14 Cb 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.30 0.94 3.17 0.00 0.00 -0.26 -5.07 105.19 105.26 2jtm n GLY 15 Ca 0.14 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.47 0.99 0.07 1.61 -2.85 -1.23 -4.98 119.74 109.87 2jtm s LYS 16 Ca 0.00 -1.46 0.06 0.00 -1.00 0.00 0.00 55.97 53.57 2jtm s LYS 16 Cb 0.00 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2jtm s LYS 16 CO 0.00 -0.29 -0.12 -1.21 0.10 0.00 0.00 175.35 173.83 2jtm s GLU 17 N -4.07 2.17 -0.04 1.78 2.02 -1.26 0.33 118.70 119.63 2jtm s GLU 17 Ca 0.27 -0.97 -0.12 0.00 0.02 0.00 0.00 54.97 54.17 2jtm s GLU 17 Cb 0.07 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 32.03 2jtm s GLU 17 CO 0.04 0.53 0.28 0.00 0.02 0.00 0.00 175.26 176.13 2jtm s ALA 18 N -1.09 -0.69 -0.51 5.21 0.00 -0.44 -4.93 121.76 119.31 2jtm s ALA 18 Ca 0.18 0.42 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 2jtm s ALA 18 Cb -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2jtm s ALA 18 CO 0.10 -0.21 0.70 -2.00 0.00 0.00 0.00 175.76 174.34 2jtm s GLU 19 N -0.85 3.18 0.06 0.00 2.12 -1.26 -0.46 118.70 121.49 2jtm s GLU 19 Ca -0.09 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.61 2jtm s GLU 19 Cb -0.05 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 2jtm s GLU 19 CO 0.03 -1.26 -0.23 -0.51 -0.54 0.00 0.00 175.26 172.74 2jtm s LEU 20 N 2.93 2.19 -0.14 2.70 1.43 -0.06 -4.79 118.68 122.94 2jtm s LEU 20 Ca 0.19 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 2jtm s LEU 20 Cb -0.17 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2jtm s LEU 20 CO 0.14 0.19 0.49 0.54 0.23 0.00 0.00 176.35 177.94 2jtm s VAL 21 N -0.85 5.17 0.48 -1.59 0.11 -1.26 -0.78 120.40 121.67 2jtm s VAL 21 Ca 0.10 0.95 -0.24 0.00 -2.93 0.00 0.00 61.98 59.86 2jtm s VAL 21 Cb -0.09 -3.82 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 2jtm s VAL 21 CO 0.02 0.28 1.33 -2.16 -3.33 0.00 0.00 175.10 171.25 2jtm s PRO 22 N 0.91 3.54 -0.01 1.54 0.04 -1.26 -4.83 135.00 134.92 2jtm s PRO 22 Ca 0.25 2.20 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 2jtm s PRO 22 Cb -0.15 -2.48 -0.33 0.00 0.04 0.00 0.00 34.50 31.57 2jtm s PRO 22 CO 0.10 -0.85 0.94 0.93 0.04 0.00 0.00 177.00 178.16 2jtm h GLU 23 N 2.02 0.41 -3.30 4.56 4.39 -0.51 -3.46 114.58 118.69 2jtm h GLU 23 Ca -0.50 -0.70 -0.17 0.00 0.34 0.00 0.00 59.36 58.32 2jtm h GLU 23 Cb 1.27 0.26 -0.25 0.00 -0.10 0.00 0.00 28.75 29.93 2jtm h GLU 23 CO 0.60 1.34 -0.49 0.21 -1.16 0.00 0.00 179.01 179.50 2jtm s LYS 24 N -2.50 0.26 -0.01 2.33 2.20 -1.23 -4.98 119.74 115.81 2jtm s LYS 24 Ca -0.12 0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.73 2jtm s LYS 24 Cb 0.02 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2jtm s LYS 24 CO 0.88 -0.04 -0.19 0.14 -0.36 0.00 0.00 175.35 175.78 2jtm s VAL 25 N -0.11 1.49 0.07 4.02 -7.23 -1.26 -0.50 120.40 116.88 2jtm s VAL 25 Ca -0.02 -0.81 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 2jtm s VAL 25 Cb -0.02 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2jtm s VAL 25 CO 0.00 0.42 0.17 -1.66 -0.31 0.00 0.00 175.10 173.73 2jtm s TRP 26 N -0.44 0.15 -0.09 2.82 -2.14 -0.01 -5.01 118.94 114.22 2jtm s TRP 26 Ca 0.07 -0.51 0.01 0.00 2.66 0.00 0.00 56.10 58.33 2jtm s TRP 26 Cb -0.07 -0.07 0.02 0.00 -3.10 0.00 0.00 33.47 30.24 2jtm s TRP 26 CO -0.01 -0.49 -0.10 0.00 -2.66 0.00 0.00 176.95 173.69 2jtm s ALA 27 N -3.42 1.30 -1.03 2.67 0.00 -1.26 -0.15 121.76 119.87 2jtm s ALA 27 Ca 0.02 -0.48 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 2jtm s ALA 27 Cb 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.48 2jtm s ALA 27 CO -0.09 -0.11 1.47 -0.51 0.00 0.00 0.00 175.76 176.53 2jtm s LEU 28 N 1.10 3.50 -0.21 0.00 1.02 0.73 -4.69 118.68 120.12 2jtm s LEU 28 Ca -0.06 -1.47 0.01 0.00 0.02 0.00 0.00 54.13 52.63 2jtm s LEU 28 Cb -0.14 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.53 2jtm s LEU 28 CO -0.01 -1.53 -0.14 0.00 0.02 0.00 0.00 176.35 174.68 2jtm s ALA 29 N 5.09 2.48 0.11 4.21 0.00 -1.26 -1.62 121.76 130.77 2jtm s ALA 29 Ca 0.47 -1.40 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2jtm s ALA 29 Cb -0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.64 2jtm s ALA 29 CO -0.09 -0.65 1.75 -1.35 0.00 0.00 0.00 175.76 175.42 2jtm h PRO 30 N 7.92 0.15 0.00 0.00 0.11 -1.98 -3.48 132.00 134.72 2jtm h PRO 30 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jtm h PRO 30 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jtm h PRO 30 CO 0.58 0.10 0.00 1.17 -0.21 0.00 0.00 178.00 179.64 2jtm n LYS 31 N -5.03 0.00 -3.59 1.05 3.00 -1.26 -5.10 118.16 107.24 2jtm n LYS 31 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.87 2jtm n LYS 31 Cb 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.98 2jtm n LYS 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jtm s GLY 32 N 0.00 1.99 0.00 3.14 0.00 -1.26 -4.66 107.32 106.53 2jtm s GLY 32 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 42.48 2jtm s GLY 32 CO 0.00 1.00 0.00 -2.13 0.00 0.00 0.00 173.10 171.97 2jtm n ARG 33 N 4.92 0.00 0.06 2.90 0.00 -1.26 -5.04 116.66 118.24 2jtm n ARG 33 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2jtm n ARG 33 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2jtm n ARG 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jtm n LYS 34 N -0.85 0.00 0.00 -0.14 4.76 -1.26 -5.12 118.16 115.55 2jtm n LYS 34 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2jtm n LYS 34 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2jtm n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jtm n GLY 35 N -1.20 2.73 3.58 0.72 0.00 -1.26 -4.93 105.19 104.82 2jtm n GLY 35 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 3.75 -0.10 1.61 1.01 -0.64 -4.70 120.40 121.33 2jtm s VAL 36 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2jtm s VAL 36 Cb 0.00 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2jtm s VAL 36 CO 0.00 -1.08 0.98 -0.54 0.00 0.00 0.00 175.10 174.46 2jtm s LYS 37 N 5.57 4.43 -0.01 2.72 1.02 -1.26 -0.20 119.74 132.01 2jtm s LYS 37 Ca 0.55 1.34 0.03 0.00 0.02 0.00 0.00 55.97 57.91 2jtm s LYS 37 Cb -0.12 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2jtm s LYS 37 CO 0.26 -0.27 -0.10 0.42 -0.92 0.00 0.00 175.35 174.74 2jtm s ILE 38 N 1.87 0.79 0.06 2.17 1.01 0.78 0.33 121.20 128.21 2jtm s ILE 38 Ca 0.47 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2jtm s ILE 38 Cb -0.18 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 2jtm s ILE 38 CO 0.19 0.23 -0.17 -0.83 0.00 0.00 0.00 174.94 174.35 2jtm s GLY 39 N -0.17 0.96 -0.15 6.18 0.00 0.27 -0.83 107.32 113.58 2jtm s GLY 39 Ca 0.03 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 43.60 2jtm s GLY 39 CO -0.00 -0.98 0.35 -2.27 0.00 0.00 0.00 173.10 170.19 2jtm s LEU 40 N -1.44 4.25 0.44 0.66 2.96 0.34 -0.39 118.68 125.50 2jtm s LEU 40 Ca 0.03 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 2jtm s LEU 40 Cb -0.09 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 2jtm s LEU 40 CO 0.02 0.07 0.06 -0.36 -1.32 0.00 0.00 176.35 174.82 2jtm s PHE 41 N 0.52 1.91 -0.15 5.38 0.08 0.15 0.31 117.98 126.19 2jtm s PHE 41 Ca 0.19 -1.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.18 2jtm s PHE 41 Cb -0.14 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2jtm s PHE 41 CO 0.06 0.02 -0.04 0.21 -0.10 0.00 0.00 175.22 175.37 2jtm s LYS 42 N -3.80 1.25 0.05 0.44 2.20 -1.26 -0.84 119.74 117.78 2jtm s LYS 42 Ca 0.19 -0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 2jtm s LYS 42 Cb 0.04 -1.83 -0.07 0.00 -1.51 0.00 0.00 37.83 34.45 2jtm s LYS 42 CO 0.10 -0.42 1.52 0.34 -0.36 0.00 0.00 175.35 176.53 2jtm s ASP 43 N 1.71 6.73 0.52 1.43 2.15 0.10 -4.90 116.67 124.41 2jtm s ASP 43 Ca 0.02 2.33 0.31 0.00 0.43 0.00 0.00 52.55 55.63 2jtm s ASP 43 Cb -0.15 -2.57 1.15 0.00 -0.30 0.00 0.00 42.92 41.05 2jtm s ASP 43 CO -0.07 -0.79 1.90 1.55 -0.17 0.00 0.00 175.17 177.59 2jtm h PRO 44 N 7.85 0.00 0.00 4.34 0.13 -1.92 0.13 132.00 142.52 2jtm h PRO 44 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jtm h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jtm h PRO 44 CO 0.91 0.03 -0.18 1.49 -0.23 0.00 0.00 178.00 180.02 2jtm h GLU 45 N 0.00 0.00 0.05 0.86 4.22 -1.97 -3.39 114.58 114.35 2jtm h GLU 45 Ca -0.00 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 59.19 2jtm h GLU 45 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2jtm h GLU 45 CO 0.00 0.00 -1.27 1.79 -2.18 0.00 0.00 179.01 177.36 2jtm h THR 46 N -0.95 1.42 0.00 0.32 1.35 -1.99 -3.47 112.91 109.59 2jtm h THR 46 Ca 0.00 -3.12 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 2jtm h THR 46 Cb 0.18 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2jtm h THR 46 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2jtm n GLY 47 N 1.48 0.52 3.84 5.82 0.00 0.45 -5.05 105.19 112.26 2jtm n GLY 47 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.85 3.97 -0.18 1.61 -2.85 -1.24 -4.59 119.74 115.62 2jtm s LYS 48 Ca 0.00 0.91 -0.19 0.00 -1.00 0.00 0.00 55.97 55.69 2jtm s LYS 48 Cb 0.00 -2.18 -0.03 0.00 -2.06 0.00 0.00 37.83 33.55 2jtm s LYS 48 CO 0.00 -0.19 0.54 0.71 0.10 0.00 0.00 175.35 176.52 2jtm s TYR 49 N -2.50 3.41 -0.01 1.78 1.51 -1.26 0.02 117.35 120.30 2jtm s TYR 49 Ca 0.58 0.85 0.03 0.00 -1.01 0.00 0.00 57.07 57.52 2jtm s TYR 49 Cb -0.10 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.06 2jtm s TYR 49 CO 0.28 -0.06 -0.09 -0.59 -1.11 0.00 0.00 175.55 173.98 2jtm s PHE 50 N 1.47 0.85 -0.03 2.71 -0.71 -0.02 -4.94 117.98 117.30 2jtm s PHE 50 Ca 0.26 -0.16 -0.14 0.00 -1.04 0.00 0.00 56.93 55.84 2jtm s PHE 50 Cb -0.16 -0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 41.05 2jtm s PHE 50 CO 0.10 -0.02 0.38 -0.98 -1.34 0.00 0.00 175.22 173.36 2jtm s ARG 51 N -0.20 3.94 -0.03 1.99 1.70 -1.26 0.33 118.95 125.42 2jtm s ARG 51 Ca 0.03 0.34 -0.06 0.00 -0.47 0.00 0.00 55.73 55.58 2jtm s ARG 51 Cb -0.04 -3.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.09 2jtm s ARG 51 CO -0.00 0.62 0.13 -1.58 -1.08 0.00 0.00 175.30 173.38 2jtm s HIS 52 N -0.80 -0.05 0.44 5.89 2.46 0.47 -4.96 115.29 118.74 2jtm s HIS 52 Ca 0.22 0.12 -0.25 0.00 0.47 0.00 0.00 55.06 55.62 2jtm s HIS 52 Cb -0.16 -0.00 -0.08 0.00 -0.13 0.00 0.00 32.58 32.21 2jtm s HIS 52 CO 0.11 -0.17 1.38 0.21 -2.47 0.00 0.00 174.74 173.81 2jtm s LYS 53 N -0.59 3.76 0.46 2.88 2.20 -1.26 -0.56 119.74 126.62 2jtm s LYS 53 Ca -0.07 2.31 0.08 0.00 -0.36 0.00 0.00 55.97 57.94 2jtm s LYS 53 Cb -0.04 -2.67 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2jtm s LYS 53 CO 0.01 -0.72 0.55 -0.51 -0.36 0.00 0.00 175.35 174.32 2jtm s LEU 54 N -2.66 3.43 0.33 5.43 1.43 0.15 -4.80 118.68 121.99 2jtm s LEU 54 Ca 0.60 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 2jtm s LEU 54 Cb -0.41 -2.22 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 2jtm s LEU 54 CO 0.53 -0.86 1.31 -2.84 0.23 0.00 0.00 176.35 174.72 2jtm s PRO 55 N -4.35 4.36 0.06 1.29 0.02 -1.26 -4.65 135.00 130.47 2jtm s PRO 55 Ca 0.53 2.21 0.22 0.00 0.02 0.00 0.00 61.00 63.99 2jtm s PRO 55 Cb -0.07 -3.08 0.92 0.00 0.02 0.00 0.00 34.50 32.29 2jtm s PRO 55 CO 0.32 -0.19 1.70 -0.25 -0.33 0.00 0.00 177.00 178.26 2jtm n ASP 56 N 0.88 0.18 -0.76 2.53 8.00 -1.26 -1.30 116.55 124.83 2jtm n ASP 56 Ca 0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.16 2jtm n ASP 56 Cb 0.42 -0.57 0.29 0.00 -0.02 0.00 0.00 41.12 41.24 2jtm n ASP 56 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jtm n ASP 57 N -1.69 2.35 -4.65 -2.24 5.75 -1.26 -4.90 116.55 109.91 2jtm n ASP 57 Ca 0.05 -1.78 -0.43 0.00 -0.01 0.00 0.00 54.79 52.62 2jtm n ASP 57 Cb 0.27 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.96 3.31 -0.57 2.11 5.04 -0.42 -4.97 117.35 119.89 2jtm s TYR 58 Ca 0.33 1.38 -0.28 0.00 -2.44 0.00 0.00 57.07 56.06 2jtm s TYR 58 Cb 0.20 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 39.23 2jtm s TYR 58 CO 0.31 -0.51 1.42 -1.25 -1.34 0.00 0.00 175.55 174.18 2jtm s PRO 59 N 3.21 3.28 0.00 4.97 0.04 -1.26 -4.95 135.00 140.29 2jtm s PRO 59 Ca 0.43 0.42 0.27 0.00 0.04 0.00 0.00 61.00 62.16 2jtm s PRO 59 Cb -0.15 -4.13 0.73 0.00 0.04 0.00 0.00 34.50 30.99 2jtm s PRO 59 CO 0.07 -1.97 1.56 0.44 0.04 0.00 0.00 177.00 177.15