#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 3.44 -3.76 7.83 7.64 -1.26 -4.92 113.62 122.59 2jtm n SER 2 Ca 0.00 0.42 -0.11 0.00 1.01 0.00 0.00 58.87 60.20 2jtm n SER 2 Cb 0.00 -1.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.61 2jtm n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jtm s SER 3 N 7.13 -0.07 0.00 6.43 1.04 -1.26 -4.90 113.70 122.07 2jtm s SER 3 Ca 0.98 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2jtm s SER 3 Cb -0.40 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2jtm s SER 3 CO 0.38 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2jtm n GLY 4 N 0.27 2.04 3.40 7.32 0.00 -1.26 -5.05 105.19 111.91 2jtm n GLY 4 Ca -0.17 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 1.64 -0.48 1.61 3.01 -1.26 -5.10 119.74 119.15 2jtm s LYS 5 Ca 0.00 -1.94 0.03 0.00 -1.01 0.00 0.00 55.97 53.05 2jtm s LYS 5 Cb 0.00 -0.41 0.16 0.00 -1.01 0.00 0.00 37.83 36.57 2jtm s LYS 5 CO 0.00 -0.37 0.33 0.21 0.51 0.00 0.00 175.35 176.03 2jtm s LYS 6 N -3.86 1.37 0.10 1.68 2.36 -1.26 -5.10 119.74 115.03 2jtm s LYS 6 Ca 0.34 -2.29 0.00 0.00 -2.55 0.00 0.00 55.97 51.47 2jtm s LYS 6 Cb 0.06 -2.19 0.02 0.00 -1.05 0.00 0.00 37.83 34.67 2jtm s LYS 6 CO 0.16 -1.27 0.14 -0.35 1.55 0.00 0.00 175.35 175.57 2jtm n PRO 7 N 2.99 0.60 -3.82 4.03 -0.04 -1.26 -4.65 135.00 132.85 2jtm n PRO 7 Ca 0.19 -0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 2jtm n PRO 7 Cb 0.39 -0.08 -0.10 0.00 -0.04 0.00 0.00 33.50 33.67 2jtm n PRO 7 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jtm s VAL 8 N -0.09 0.04 -0.36 0.52 0.11 -0.40 -4.92 120.40 115.31 2jtm s VAL 8 Ca 0.09 -0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2jtm s VAL 8 Cb -0.01 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2jtm s VAL 8 CO 0.06 -0.20 1.58 -0.54 -3.33 0.00 0.00 175.10 172.67 2jtm s LYS 9 N -0.78 3.51 0.02 1.54 1.02 -1.26 -1.19 119.74 122.61 2jtm s LYS 9 Ca -0.09 1.21 0.05 0.00 0.02 0.00 0.00 55.97 57.17 2jtm s LYS 9 Cb -0.05 -4.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.16 2jtm s LYS 9 CO 0.02 -1.64 -0.16 0.54 -0.92 0.00 0.00 175.35 173.19 2jtm s VAL 10 N 5.95 1.24 -0.25 3.17 0.11 0.05 -4.90 120.40 125.78 2jtm s VAL 10 Ca 0.69 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 2jtm s VAL 10 Cb -0.18 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.59 2jtm s VAL 10 CO 0.33 0.19 1.26 -0.54 -3.33 0.00 0.00 175.10 173.00 2jtm s LYS 11 N -0.80 4.05 0.42 1.54 1.02 -1.26 -1.50 119.74 123.21 2jtm s LYS 11 Ca 0.04 1.38 0.02 0.00 0.02 0.00 0.00 55.97 57.44 2jtm s LYS 11 Cb -0.07 -3.82 -0.00 0.00 -0.52 0.00 0.00 37.83 33.42 2jtm s LYS 11 CO 0.01 -0.95 0.61 0.95 -0.92 0.00 0.00 175.35 175.05 2jtm s THR 12 N 3.98 3.90 0.60 2.17 -4.23 -0.14 -4.96 115.64 116.97 2jtm s THR 12 Ca 0.54 -0.68 0.36 0.00 -1.18 0.00 0.00 61.69 60.74 2jtm s THR 12 Cb -0.18 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 70.64 2jtm s THR 12 CO 0.19 -0.25 2.29 -0.65 -0.54 0.00 0.00 174.62 175.66 2jtm h PRO 13 N 0.53 0.00 0.00 3.99 0.11 -1.96 -0.48 132.00 134.19 2jtm h PRO 13 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jtm h PRO 13 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jtm h PRO 13 CO 0.55 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 2jtm h ALA 14 N 1.99 1.00 -1.62 -0.75 0.00 -1.98 -3.46 119.26 114.44 2jtm h ALA 14 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jtm h ALA 14 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jtm h ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jtm n GLY 15 N -0.34 0.48 3.26 0.00 0.00 -0.19 -5.08 105.19 103.32 2jtm n GLY 15 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.24 0.95 -0.34 1.61 -2.85 -1.25 -4.98 119.74 109.64 2jtm s LYS 16 Ca 0.00 -0.84 -0.09 0.00 -1.00 0.00 0.00 55.97 54.04 2jtm s LYS 16 Cb 0.00 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 2jtm s LYS 16 CO 0.00 -0.34 0.15 -1.21 0.10 0.00 0.00 175.35 174.05 2jtm s GLU 17 N -3.83 2.90 0.13 1.78 2.02 -1.26 -0.97 118.70 119.47 2jtm s GLU 17 Ca 0.04 -1.01 0.10 0.00 0.02 0.00 0.00 54.97 54.12 2jtm s GLU 17 Cb 0.03 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2jtm s GLU 17 CO -0.12 -0.61 -0.24 0.00 0.02 0.00 0.00 175.26 174.32 2jtm s ALA 18 N 1.52 2.15 -0.58 5.21 0.00 -0.56 -4.83 121.76 124.67 2jtm s ALA 18 Ca 0.02 -1.41 -0.24 0.00 0.00 0.00 0.00 51.96 50.33 2jtm s ALA 18 Cb -0.19 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.67 2jtm s ALA 18 CO 0.05 0.44 0.99 -1.21 0.00 0.00 0.00 175.76 176.03 2jtm s GLU 19 N -2.12 3.30 -0.06 0.00 2.02 -1.26 -0.77 118.70 119.82 2jtm s GLU 19 Ca 0.12 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 54.85 2jtm s GLU 19 Cb -0.09 -4.08 -0.02 0.00 0.10 0.00 0.00 34.13 30.03 2jtm s GLU 19 CO 0.06 -1.59 -0.17 -0.51 0.02 0.00 0.00 175.26 173.07 2jtm s LEU 20 N 4.16 2.58 -0.20 1.80 1.43 -0.33 -4.79 118.68 123.32 2jtm s LEU 20 Ca 0.30 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 2jtm s LEU 20 Cb -0.12 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2jtm s LEU 20 CO 0.18 0.31 0.56 0.54 0.23 0.00 0.00 176.35 178.17 2jtm s VAL 21 N -0.51 5.07 0.34 -1.59 0.11 -1.26 -1.28 120.40 121.29 2jtm s VAL 21 Ca 0.07 1.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.87 2jtm s VAL 21 Cb -0.12 -3.88 -0.10 0.00 -1.53 0.00 0.00 36.38 30.75 2jtm s VAL 21 CO 0.01 0.14 1.36 -2.16 -3.33 0.00 0.00 175.10 171.12 2jtm s PRO 22 N 1.79 4.29 -0.05 1.54 0.04 -1.26 -4.81 135.00 136.54 2jtm s PRO 22 Ca 0.26 2.31 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 2jtm s PRO 22 Cb -0.16 -3.05 -0.22 0.00 0.04 0.00 0.00 34.50 31.12 2jtm s PRO 22 CO 0.10 -0.28 1.11 1.49 0.04 0.00 0.00 177.00 179.46 2jtm h GLU 23 N 3.32 0.04 -4.56 4.56 4.22 -0.86 -3.45 114.58 117.85 2jtm h GLU 23 Ca -0.49 -0.03 -0.33 0.00 0.08 0.00 0.00 59.36 58.58 2jtm h GLU 23 Cb 1.23 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 30.23 2jtm h GLU 23 CO 0.65 0.69 -0.76 -1.59 -2.18 0.00 0.00 179.01 175.83 2jtm s LYS 24 N -3.58 0.55 0.05 1.92 -2.85 -1.25 -5.00 119.74 109.59 2jtm s LYS 24 Ca -0.17 -0.44 0.08 0.00 -1.00 0.00 0.00 55.97 54.44 2jtm s LYS 24 Cb 0.01 -0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 35.28 2jtm s LYS 24 CO 0.69 0.12 -0.22 0.14 0.10 0.00 0.00 175.35 176.18 2jtm s VAL 25 N -0.60 1.78 0.00 1.79 -7.23 -1.26 -0.92 120.40 113.95 2jtm s VAL 25 Ca -0.02 -1.27 -0.18 0.00 -1.81 0.00 0.00 61.98 58.70 2jtm s VAL 25 Cb -0.05 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.38 2jtm s VAL 25 CO 0.00 0.22 0.40 -1.66 -0.31 0.00 0.00 175.10 173.75 2jtm s TRP 26 N -0.83 -0.27 -0.14 2.82 -2.14 -0.18 -5.01 118.94 113.19 2jtm s TRP 26 Ca 0.08 0.36 0.02 0.00 2.66 0.00 0.00 56.10 59.22 2jtm s TRP 26 Cb -0.09 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.47 2jtm s TRP 26 CO 0.02 -0.49 -0.20 0.00 -2.66 0.00 0.00 176.95 173.62 2jtm s ALA 27 N -1.78 2.10 -0.38 2.67 0.00 -1.26 -0.26 121.76 122.86 2jtm s ALA 27 Ca -0.10 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 2jtm s ALA 27 Cb -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2jtm s ALA 27 CO 0.02 -0.09 0.48 -0.51 0.00 0.00 0.00 175.76 175.67 2jtm s LEU 28 N 0.94 4.53 -0.62 0.00 1.02 0.86 -4.83 118.68 120.57 2jtm s LEU 28 Ca -0.05 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 53.84 2jtm s LEU 28 Cb -0.15 -2.51 0.15 0.00 0.02 0.00 0.00 46.19 43.71 2jtm s LEU 28 CO -0.03 -0.53 0.40 0.00 0.02 0.00 0.00 176.35 176.21 2jtm s ALA 29 N 2.32 3.59 0.43 4.21 0.00 -1.26 0.15 121.76 131.19 2jtm s ALA 29 Ca 0.16 -3.49 -0.22 0.00 0.00 0.00 0.00 51.96 48.42 2jtm s ALA 29 Cb -0.16 -2.31 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 2jtm s ALA 29 CO 0.14 -2.07 0.98 -2.14 0.00 0.00 0.00 175.76 172.67 2jtm s PRO 30 N -0.68 4.16 -0.62 0.00 0.02 -1.26 -4.96 135.00 131.66 2jtm s PRO 30 Ca 0.20 1.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.18 2jtm s PRO 30 Cb -0.17 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 2jtm s PRO 30 CO -0.06 -0.10 1.76 0.15 -0.33 0.00 0.00 177.00 178.41 2jtm s LYS 31 N -3.04 2.76 0.00 5.54 1.02 -1.26 -1.26 119.74 123.50 2jtm s LYS 31 Ca 0.62 0.50 0.00 0.00 0.02 0.00 0.00 55.97 57.11 2jtm s LYS 31 Cb -0.12 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 2jtm s LYS 31 CO 0.17 -2.59 0.00 0.41 -0.92 0.00 0.00 175.35 172.42 2jtm n GLY 32 N 5.63 1.24 2.22 -3.33 0.00 -1.26 -5.11 105.19 104.58 2jtm n GLY 32 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.88 -2.76 1.61 1.74 -0.39 -5.16 116.66 112.58 2jtm n ARG 33 Ca 0.00 -2.28 -0.20 0.00 -0.77 0.00 0.00 57.85 54.60 2jtm n ARG 33 Cb 0.00 1.01 0.09 0.00 -1.02 0.00 0.00 32.46 32.54 2jtm n ARG 33 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2jtm n LYS 34 N -0.67 0.32 -2.76 5.56 5.02 -1.26 -4.58 118.16 119.79 2jtm n LYS 34 Ca -0.07 -2.89 -0.42 0.00 -2.02 0.00 0.00 58.31 52.91 2jtm n LYS 34 Cb 0.40 -0.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2jtm n LYS 34 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jtm s GLY 35 N -4.76 2.14 -0.36 0.72 0.00 -1.26 -4.17 107.32 99.63 2jtm s GLY 35 Ca 0.62 0.20 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 2jtm s GLY 35 CO 0.40 1.87 0.22 0.14 0.00 0.00 0.00 173.10 175.72 2jtm s VAL 36 N 2.28 4.86 -0.13 1.40 1.01 0.12 -4.87 120.40 125.07 2jtm s VAL 36 Ca 0.43 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 2jtm s VAL 36 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2jtm s VAL 36 CO 0.14 -0.12 0.81 -0.54 0.00 0.00 0.00 175.10 175.39 2jtm s LYS 37 N 1.63 4.35 0.01 2.72 1.02 -1.26 -0.10 119.74 128.10 2jtm s LYS 37 Ca 0.04 1.01 0.04 0.00 0.02 0.00 0.00 55.97 57.08 2jtm s LYS 37 Cb -0.18 -3.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 2jtm s LYS 37 CO 0.08 -0.22 -0.12 0.42 -0.92 0.00 0.00 175.35 174.59 2jtm s ILE 38 N 1.76 0.95 0.06 2.17 1.01 0.64 0.05 121.20 127.85 2jtm s ILE 38 Ca 0.39 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.43 2jtm s ILE 38 Cb -0.17 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2jtm s ILE 38 CO 0.15 0.15 -0.15 -0.83 0.00 0.00 0.00 174.94 174.26 2jtm s GLY 39 N -0.58 0.86 -0.22 6.18 0.00 0.03 -1.01 107.32 112.58 2jtm s GLY 39 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 2jtm s GLY 39 CO 0.00 -0.95 0.23 -2.27 0.00 0.00 0.00 173.10 170.11 2jtm s LEU 40 N -1.51 4.15 0.33 0.66 2.96 -0.10 -0.51 118.68 124.66 2jtm s LEU 40 Ca 0.00 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2jtm s LEU 40 Cb -0.09 -2.24 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 2jtm s LEU 40 CO 0.02 0.05 0.01 -0.36 -1.32 0.00 0.00 176.35 174.74 2jtm s PHE 41 N 0.97 2.07 -0.22 5.38 0.08 0.12 -0.06 117.98 126.32 2jtm s PHE 41 Ca 0.12 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2jtm s PHE 41 Cb -0.13 -1.33 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2jtm s PHE 41 CO 0.04 0.19 -0.15 0.21 -0.10 0.00 0.00 175.22 175.41 2jtm s LYS 42 N -3.80 2.58 0.23 0.44 2.20 -1.26 0.05 119.74 120.19 2jtm s LYS 42 Ca 0.34 -1.09 -0.32 0.00 -0.36 0.00 0.00 55.97 54.54 2jtm s LYS 42 Cb 0.07 -2.73 -0.12 0.00 -1.51 0.00 0.00 37.83 33.54 2jtm s LYS 42 CO 0.15 -0.40 1.61 -3.47 -0.36 0.00 0.00 175.35 172.88 2jtm n ASP 43 N 4.53 3.59 0.27 1.43 2.03 0.93 -4.89 116.55 124.44 2jtm n ASP 43 Ca -0.17 1.11 0.17 0.00 0.52 0.00 0.00 54.79 56.41 2jtm n ASP 43 Cb 0.46 -1.53 0.66 0.00 -0.72 0.00 0.00 41.12 39.98 2jtm n ASP 43 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jtm h PRO 44 N 5.58 0.00 0.00 -0.67 0.13 -1.96 -1.13 132.00 133.95 2jtm h PRO 44 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2jtm h PRO 44 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2jtm h PRO 44 CO 0.86 0.00 -1.75 -1.91 -0.23 0.00 0.00 178.00 174.97 2jtm n GLU 45 N -3.06 0.56 0.06 0.86 2.13 -1.26 -4.63 120.64 115.30 2jtm n GLU 45 Ca 0.01 0.30 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 2jtm n GLU 45 Cb 0.31 -1.51 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 2jtm n GLU 45 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 2jtm h THR 46 N -1.00 1.37 0.00 6.31 1.35 -1.99 -3.48 112.91 115.47 2jtm h THR 46 Ca -0.38 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.44 2jtm h THR 46 Cb 1.30 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 2jtm h THR 46 CO -0.23 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2jtm n GLY 47 N 1.52 0.59 3.97 5.82 0.00 -0.43 -5.03 105.19 111.63 2jtm n GLY 47 Ca -0.10 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.19 3.35 -0.04 1.61 -2.85 -1.26 -4.73 119.74 114.63 2jtm s LYS 48 Ca 0.00 -0.82 -0.20 0.00 -1.00 0.00 0.00 55.97 53.95 2jtm s LYS 48 Cb 0.00 -2.87 -0.05 0.00 -2.06 0.00 0.00 37.83 32.86 2jtm s LYS 48 CO 0.00 0.32 0.57 0.71 0.10 0.00 0.00 175.35 177.06 2jtm s TYR 49 N -2.04 3.62 -0.00 1.78 2.02 -1.26 -0.05 117.35 121.42 2jtm s TYR 49 Ca 0.37 1.12 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 2jtm s TYR 49 Cb -0.09 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.85 2jtm s TYR 49 CO 0.30 0.28 -0.04 -0.59 -1.57 0.00 0.00 175.55 173.92 2jtm s PHE 50 N 0.14 0.38 -0.23 2.71 -0.71 0.11 -4.95 117.98 115.42 2jtm s PHE 50 Ca 0.30 -0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 56.02 2jtm s PHE 50 Cb -0.17 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.34 2jtm s PHE 50 CO 0.15 -0.01 0.15 -0.98 -1.34 0.00 0.00 175.22 173.19 2jtm s ARG 51 N -0.07 4.06 0.02 1.99 1.70 -1.26 0.15 118.95 125.54 2jtm s ARG 51 Ca 0.01 -0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.01 2jtm s ARG 51 Cb -0.02 -3.50 -0.01 0.00 -0.57 0.00 0.00 34.95 30.85 2jtm s ARG 51 CO -0.00 0.09 -0.06 -1.58 -1.08 0.00 0.00 175.30 172.68 2jtm s HIS 52 N 0.95 0.49 0.48 5.89 2.46 0.33 -4.93 115.29 120.96 2jtm s HIS 52 Ca 0.07 -0.30 -0.24 0.00 0.47 0.00 0.00 55.06 55.06 2jtm s HIS 52 Cb -0.13 -0.31 -0.07 0.00 -0.13 0.00 0.00 32.58 31.94 2jtm s HIS 52 CO 0.03 -0.06 1.40 0.21 -2.47 0.00 0.00 174.74 173.85 2jtm s LYS 53 N -0.86 3.52 0.43 2.88 2.20 -1.26 -0.79 119.74 125.86 2jtm s LYS 53 Ca -0.05 2.34 0.08 0.00 -0.36 0.00 0.00 55.97 57.98 2jtm s LYS 53 Cb -0.06 -2.53 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2jtm s LYS 53 CO -0.00 -0.92 0.55 -0.51 -0.36 0.00 0.00 175.35 174.10 2jtm s LEU 54 N -2.98 3.57 0.38 5.43 1.43 0.11 -4.81 118.68 121.80 2jtm s LEU 54 Ca 0.64 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.96 2jtm s LEU 54 Cb -0.42 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 2jtm s LEU 54 CO 0.53 -0.78 1.35 -2.84 0.23 0.00 0.00 176.35 174.84 2jtm s PRO 55 N -4.33 4.12 0.51 1.29 0.02 -1.26 -4.67 135.00 130.68 2jtm s PRO 55 Ca 0.54 2.28 0.21 0.00 0.02 0.00 0.00 61.00 64.05 2jtm s PRO 55 Cb -0.08 -2.91 1.30 0.00 0.02 0.00 0.00 34.50 32.83 2jtm s PRO 55 CO 0.32 -0.41 2.04 -0.44 -0.33 0.00 0.00 177.00 178.17 2jtm h ASP 56 N 2.97 0.06 -0.40 2.53 5.19 -1.94 -0.57 116.42 124.26 2jtm h ASP 56 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2jtm h ASP 56 Cb 1.24 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2jtm h ASP 56 CO 0.64 0.04 0.00 0.47 -3.12 0.00 0.00 179.24 177.26 2jtm n ASP 57 N -4.44 4.47 -4.70 6.45 9.92 -1.26 -4.95 116.55 122.03 2jtm n ASP 57 Ca 0.06 -2.86 -0.42 0.00 -0.53 0.00 0.00 54.79 51.04 2jtm n ASP 57 Cb 0.43 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 2jtm n ASP 57 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2jtm s TYR 58 N -2.58 3.55 -0.10 1.24 5.04 -0.22 -4.99 117.35 119.28 2jtm s TYR 58 Ca 0.45 1.58 -0.29 0.00 -2.44 0.00 0.00 57.07 56.37 2jtm s TYR 58 Cb 0.35 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 2jtm s TYR 58 CO 0.13 -0.35 1.48 -1.25 -1.34 0.00 0.00 175.55 174.22 2jtm s PRO 59 N 1.40 4.20 0.00 4.97 0.04 -1.26 -4.95 135.00 139.40 2jtm s PRO 59 Ca 0.52 1.95 0.11 0.00 0.04 0.00 0.00 61.00 63.62 2jtm s PRO 59 Cb -0.22 -3.89 0.09 0.00 0.04 0.00 0.00 34.50 30.52 2jtm s PRO 59 CO 0.25 -0.79 0.84 0.44 0.04 0.00 0.00 177.00 177.78