#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 0.20 -0.48 6.12 1.04 -1.26 -5.10 113.70 114.22 2jtm s SER 2 Ca 0.00 -1.38 0.06 0.00 0.48 0.00 0.00 55.95 55.11 2jtm s SER 2 Cb 0.00 0.37 0.18 0.00 0.10 0.00 0.00 66.02 66.67 2jtm s SER 2 CO 0.00 -0.83 0.57 -1.20 0.98 0.00 0.00 173.24 172.77 2jtm n SER 3 N -0.26 -2.26 0.00 7.02 7.64 -1.26 -4.96 113.62 119.54 2jtm n SER 3 Ca 0.01 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.19 2jtm n SER 3 Cb 0.66 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 2jtm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jtm n GLY 4 N 2.89 0.10 3.51 0.23 0.00 -1.26 -4.99 105.19 105.68 2jtm n GLY 4 Ca 0.23 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.00 3.91 -0.17 1.61 -0.14 -1.26 -4.87 119.74 117.82 2jtm s LYS 5 Ca 0.00 -2.06 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 2jtm s LYS 5 Cb 0.00 -5.24 0.04 0.00 -1.68 0.00 0.00 37.83 30.95 2jtm s LYS 5 CO 0.00 -1.99 -0.08 0.21 -0.76 0.00 0.00 175.35 172.73 2jtm s LYS 6 N 3.09 1.71 0.61 1.68 2.20 -1.26 -5.09 119.74 122.67 2jtm s LYS 6 Ca 0.45 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 2jtm s LYS 6 Cb -0.01 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 2jtm s LYS 6 CO -0.00 -0.40 1.03 -1.25 -0.36 0.00 0.00 175.35 174.36 2jtm s PRO 7 N 1.55 3.62 0.02 4.03 0.04 -1.26 -4.21 135.00 138.79 2jtm s PRO 7 Ca 0.01 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 2jtm s PRO 7 Cb -0.15 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2jtm s PRO 7 CO -0.08 -0.55 0.00 0.54 0.04 0.00 0.00 177.00 176.95 2jtm s VAL 8 N -3.14 0.11 -0.40 -0.36 0.11 -0.23 -4.91 120.40 111.59 2jtm s VAL 8 Ca 0.55 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 58.40 2jtm s VAL 8 Cb -0.11 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2jtm s VAL 8 CO 0.52 -0.50 1.58 -0.54 -3.33 0.00 0.00 175.10 172.83 2jtm s LYS 9 N -1.58 3.43 -0.03 1.54 1.02 -1.26 -1.50 119.74 121.36 2jtm s LYS 9 Ca -0.15 1.09 0.05 0.00 0.02 0.00 0.00 55.97 56.99 2jtm s LYS 9 Cb -0.09 -4.11 -0.01 0.00 -0.52 0.00 0.00 37.83 33.10 2jtm s LYS 9 CO -0.01 -1.74 -0.19 0.54 -0.92 0.00 0.00 175.35 173.03 2jtm s VAL 10 N 6.17 1.51 -0.24 3.17 0.11 0.43 -4.96 120.40 126.60 2jtm s VAL 10 Ca 0.68 -0.79 -0.26 0.00 -2.93 0.00 0.00 61.98 58.68 2jtm s VAL 10 Cb -0.17 -1.28 -0.00 0.00 -1.53 0.00 0.00 36.38 33.40 2jtm s VAL 10 CO 0.32 0.43 0.89 -0.54 -3.33 0.00 0.00 175.10 172.87 2jtm s LYS 11 N -0.22 4.19 0.31 1.54 1.02 -1.26 -0.75 119.74 124.56 2jtm s LYS 11 Ca 0.02 1.04 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 2jtm s LYS 11 Cb -0.10 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 2jtm s LYS 11 CO 0.01 -0.56 0.57 0.95 -0.92 0.00 0.00 175.35 175.39 2jtm s THR 12 N 2.96 5.02 -0.35 2.17 -4.23 -0.28 -4.97 115.64 115.97 2jtm s THR 12 Ca 0.37 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.15 2jtm s THR 12 Cb -0.15 -3.76 0.29 0.00 1.34 0.00 0.00 72.50 70.22 2jtm s THR 12 CO 0.07 -0.38 1.78 -0.65 -0.54 0.00 0.00 174.62 174.90 2jtm h PRO 13 N 1.47 0.00 -0.59 3.99 0.11 -1.96 -1.78 132.00 133.25 2jtm h PRO 13 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.67 2jtm h PRO 13 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2jtm h PRO 13 CO 0.65 0.00 0.39 0.00 -0.21 0.00 0.00 178.00 178.83 2jtm h ALA 14 N 2.21 1.71 0.00 -0.75 0.00 -1.99 -3.47 119.26 116.98 2jtm h ALA 14 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jtm h ALA 14 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jtm h ALA 14 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2jtm n GLY 15 N -1.46 1.32 3.70 0.00 0.00 -0.67 -5.08 105.19 103.01 2jtm n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.10 -0.12 1.61 0.00 -1.25 -4.88 119.74 117.20 2jtm s LYS 16 Ca 0.00 -2.18 -0.25 0.00 0.00 0.00 0.00 55.97 53.54 2jtm s LYS 16 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 37.83 36.14 2jtm s LYS 16 CO 0.00 -0.20 0.82 -2.00 0.00 0.00 0.00 175.35 173.96 2jtm s GLU 17 N -3.83 4.37 0.03 1.78 2.12 -1.26 -1.12 118.70 120.78 2jtm s GLU 17 Ca 0.25 1.03 0.04 0.00 0.36 0.00 0.00 54.97 56.65 2jtm s GLU 17 Cb 0.05 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 2jtm s GLU 17 CO 0.13 -0.19 -0.11 0.00 -0.54 0.00 0.00 175.26 174.55 2jtm s ALA 18 N 1.64 0.91 -0.52 6.30 0.00 0.07 -4.96 121.76 125.20 2jtm s ALA 18 Ca 0.40 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 2jtm s ALA 18 Cb -0.17 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2jtm s ALA 18 CO 0.16 0.16 0.62 -1.21 0.00 0.00 0.00 175.76 175.49 2jtm s GLU 19 N -0.95 3.10 -0.01 0.00 2.02 -1.26 -0.43 118.70 121.17 2jtm s GLU 19 Ca -0.00 -1.01 0.06 0.00 0.02 0.00 0.00 54.97 54.04 2jtm s GLU 19 Cb -0.07 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.00 2jtm s GLU 19 CO 0.01 -1.27 -0.20 -0.51 0.02 0.00 0.00 175.26 173.31 2jtm s LEU 20 N 2.57 2.44 -0.23 1.80 1.43 -0.56 -4.78 118.68 121.34 2jtm s LEU 20 Ca 0.14 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 2jtm s LEU 20 Cb -0.21 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2jtm s LEU 20 CO 0.10 0.31 0.59 0.54 0.23 0.00 0.00 176.35 178.12 2jtm s VAL 21 N -0.74 5.03 0.28 -1.59 0.11 -1.26 -1.06 120.40 121.17 2jtm s VAL 21 Ca 0.12 1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.94 2jtm s VAL 21 Cb -0.10 -3.90 -0.12 0.00 -1.53 0.00 0.00 36.38 30.73 2jtm s VAL 21 CO 0.01 0.09 1.60 -2.65 -3.33 0.00 0.00 175.10 170.82 2jtm n PRO 22 N 5.33 2.67 0.09 1.54 -0.02 -1.26 -4.84 135.00 138.51 2jtm n PRO 22 Ca -0.02 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.35 2jtm n PRO 22 Cb 0.50 -2.73 0.07 0.00 -0.02 0.00 0.00 33.50 31.32 2jtm n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2jtm h GLU 23 N 4.91 0.19 -2.59 -0.52 4.57 -0.45 -3.45 114.58 117.25 2jtm h GLU 23 Ca -0.47 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 57.45 2jtm h GLU 23 Cb 1.23 0.03 -0.24 0.00 -0.16 0.00 0.00 28.75 29.61 2jtm h GLU 23 CO 0.80 0.82 -0.18 0.21 -1.18 0.00 0.00 179.01 179.49 2jtm s LYS 24 N -3.53 0.53 0.04 1.92 2.20 -1.24 -4.99 119.74 114.69 2jtm s LYS 24 Ca -0.03 0.68 0.08 0.00 -0.36 0.00 0.00 55.97 56.33 2jtm s LYS 24 Cb 0.11 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2jtm s LYS 24 CO 0.81 -0.08 -0.22 0.14 -0.36 0.00 0.00 175.35 175.64 2jtm s VAL 25 N 0.40 1.76 0.13 4.02 -7.23 -1.26 -0.88 120.40 117.34 2jtm s VAL 25 Ca -0.01 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 2jtm s VAL 25 Cb -0.04 -1.53 0.03 0.00 0.56 0.00 0.00 36.38 35.41 2jtm s VAL 25 CO -0.01 0.23 0.42 -1.66 -0.31 0.00 0.00 175.10 173.77 2jtm s TRP 26 N -0.81 -0.19 -0.03 2.82 -2.14 -0.15 -5.00 118.94 113.45 2jtm s TRP 26 Ca 0.08 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.72 2jtm s TRP 26 Cb -0.09 0.27 0.02 0.00 -3.10 0.00 0.00 33.47 30.58 2jtm s TRP 26 CO 0.02 -0.73 -0.00 0.00 -2.66 0.00 0.00 176.95 173.58 2jtm s ALA 27 N -3.81 0.32 -0.63 2.67 0.00 -1.26 0.33 121.76 119.37 2jtm s ALA 27 Ca 0.04 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 2jtm s ALA 27 Cb 0.01 -0.30 0.15 0.00 0.00 0.00 0.00 23.12 22.99 2jtm s ALA 27 CO -0.11 -0.06 0.61 -0.51 0.00 0.00 0.00 175.76 175.70 2jtm s LEU 28 N 0.93 6.22 -0.36 0.00 1.02 0.21 -4.92 118.68 121.79 2jtm s LEU 28 Ca -0.09 -2.00 0.02 0.00 0.02 0.00 0.00 54.13 52.07 2jtm s LEU 28 Cb -0.13 -2.23 0.11 0.00 0.02 0.00 0.00 46.19 43.96 2jtm s LEU 28 CO -0.02 -0.82 0.12 0.00 0.02 0.00 0.00 176.35 175.65 2jtm s ALA 29 N 1.37 2.21 0.02 4.21 0.00 -1.26 -1.58 121.76 126.74 2jtm s ALA 29 Ca 0.09 -2.22 -0.18 0.00 0.00 0.00 0.00 51.96 49.65 2jtm s ALA 29 Cb -0.23 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.97 2jtm s ALA 29 CO -0.00 -1.76 1.18 -1.35 0.00 0.00 0.00 175.76 173.83 2jtm h PRO 30 N 7.60 -0.63 0.00 0.00 0.11 -1.92 -3.49 132.00 133.68 2jtm h PRO 30 Ca -0.08 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2jtm h PRO 30 Cb 0.99 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jtm h PRO 30 CO 0.50 -0.42 0.00 1.17 -0.21 0.00 0.00 178.00 179.05 2jtm n LYS 31 N -3.88 0.00 -3.71 1.05 4.81 -1.26 -5.01 118.16 110.16 2jtm n LYS 31 Ca -0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.11 2jtm n LYS 31 Cb 0.26 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.36 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 0.00 -0.44 3.26 3.14 0.00 -1.26 -4.96 105.19 104.93 2jtm n GLY 32 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.21 1.58 -0.41 1.61 6.06 -1.26 -5.07 118.95 115.24 2jtm s ARG 33 Ca 0.40 -1.88 -0.28 0.00 -2.50 0.00 0.00 55.73 51.46 2jtm s ARG 33 Cb -0.19 0.31 -0.01 0.00 0.06 0.00 0.00 34.95 35.12 2jtm s ARG 33 CO 0.78 -0.57 1.71 0.15 -2.50 0.00 0.00 175.30 174.88 2jtm s LYS 34 N -3.67 3.25 -0.96 5.12 3.01 -1.26 -4.90 119.74 120.33 2jtm s LYS 34 Ca 0.40 1.13 -0.24 0.00 -1.01 0.00 0.00 55.97 56.25 2jtm s LYS 34 Cb 0.04 -4.19 -0.00 0.00 -1.01 0.00 0.00 37.83 32.66 2jtm s LYS 34 CO 0.22 -1.96 1.72 0.20 0.51 0.00 0.00 175.35 176.04 2jtm s GLY 35 N 5.92 0.69 -0.67 -3.33 0.00 -1.26 -4.72 107.32 103.95 2jtm s GLY 35 Ca 0.72 -1.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.30 2jtm s GLY 35 CO 0.31 3.12 1.52 -1.34 0.00 0.00 0.00 173.10 176.70 2jtm s VAL 36 N 7.70 3.58 -0.03 1.40 -7.23 -0.61 -4.76 120.40 120.45 2jtm s VAL 36 Ca 0.59 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.81 2jtm s VAL 36 Cb -0.03 -4.49 -0.03 0.00 0.56 0.00 0.00 36.38 32.39 2jtm s VAL 36 CO -0.05 -1.42 1.09 -0.54 -0.31 0.00 0.00 175.10 173.87 2jtm s LYS 37 N 6.23 4.44 -0.02 4.82 1.02 -1.26 -0.62 119.74 134.36 2jtm s LYS 37 Ca 0.49 1.55 0.04 0.00 0.02 0.00 0.00 55.97 58.08 2jtm s LYS 37 Cb -0.10 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2jtm s LYS 37 CO 0.18 -0.27 -0.14 0.42 -0.92 0.00 0.00 175.35 174.62 2jtm s ILE 38 N 1.60 1.14 0.05 2.17 1.01 0.15 0.72 121.20 128.04 2jtm s ILE 38 Ca 0.53 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.64 2jtm s ILE 38 Cb -0.23 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2jtm s ILE 38 CO 0.24 0.33 -0.18 -0.83 0.00 0.00 0.00 174.94 174.50 2jtm s GLY 39 N -0.24 0.99 -0.19 6.18 0.00 -0.33 -0.98 107.32 112.76 2jtm s GLY 39 Ca 0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 44.72 43.61 2jtm s GLY 39 CO -0.00 -0.93 0.41 -2.27 0.00 0.00 0.00 173.10 170.31 2jtm s LEU 40 N -1.23 4.18 0.51 0.66 2.96 -0.06 -1.06 118.68 124.65 2jtm s LEU 40 Ca 0.05 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2jtm s LEU 40 Cb -0.09 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 2jtm s LEU 40 CO 0.02 -0.06 0.03 -0.36 -1.32 0.00 0.00 176.35 174.65 2jtm s PHE 41 N 1.19 1.85 -0.08 5.38 0.08 0.15 0.37 117.98 126.91 2jtm s PHE 41 Ca 0.20 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.31 2jtm s PHE 41 Cb -0.15 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2jtm s PHE 41 CO 0.08 0.18 -0.09 0.21 -0.10 0.00 0.00 175.22 175.50 2jtm s LYS 42 N -3.91 1.53 0.13 0.44 2.20 -1.26 -0.73 119.74 118.14 2jtm s LYS 42 Ca 0.07 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.06 2jtm s LYS 42 Cb 0.01 -1.43 -0.10 0.00 -1.51 0.00 0.00 37.83 34.81 2jtm s LYS 42 CO 0.04 -0.12 1.64 0.34 -0.36 0.00 0.00 175.35 176.89 2jtm s ASP 43 N 1.16 6.55 0.20 1.43 -1.08 0.12 -4.93 116.67 120.13 2jtm s ASP 43 Ca -0.05 2.61 -0.09 0.00 -0.52 0.00 0.00 52.55 54.50 2jtm s ASP 43 Cb -0.14 -2.58 0.13 0.00 -1.46 0.00 0.00 42.92 38.87 2jtm s ASP 43 CO -0.02 -0.88 1.76 -0.65 0.52 0.00 0.00 175.17 175.90 2jtm h PRO 44 N 7.52 1.10 0.02 4.34 0.11 -1.94 -0.40 132.00 142.75 2jtm h PRO 44 Ca -0.43 -0.20 -0.22 0.00 0.11 0.00 0.00 66.00 65.26 2jtm h PRO 44 Cb 1.20 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2jtm h PRO 44 CO 0.93 0.91 -1.17 0.93 -0.21 0.00 0.00 178.00 179.38 2jtm h GLU 45 N 1.05 0.03 0.00 1.05 3.07 -1.98 -3.39 114.58 114.42 2jtm h GLU 45 Ca 0.24 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2jtm h GLU 45 Cb 0.22 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2jtm h GLU 45 CO -0.02 1.03 -1.05 0.25 -1.40 0.00 0.00 179.01 177.82 2jtm n THR 46 N -4.36 0.59 -0.80 1.13 -2.24 -1.25 -4.95 114.28 102.39 2jtm n THR 46 Ca -0.29 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2jtm n THR 46 Cb 0.70 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.19 0.89 3.75 3.38 0.00 -0.16 -5.00 105.19 109.24 2jtm n GLY 47 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 4.60 -0.21 1.61 -2.85 -1.26 -4.45 119.74 116.99 2jtm s LYS 48 Ca 0.00 1.83 -0.28 0.00 -1.00 0.00 0.00 55.97 56.52 2jtm s LYS 48 Cb 0.00 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 2jtm s LYS 48 CO 0.00 0.13 0.97 0.71 0.10 0.00 0.00 175.35 177.27 2jtm s TYR 49 N -0.90 3.37 -0.02 1.78 1.51 -1.26 0.15 117.35 121.98 2jtm s TYR 49 Ca 0.46 1.40 0.05 0.00 -1.01 0.00 0.00 57.07 57.98 2jtm s TYR 49 Cb -0.32 -3.19 -0.01 0.00 -0.11 0.00 0.00 41.96 38.33 2jtm s TYR 49 CO 0.40 -0.40 -0.18 -0.59 -1.11 0.00 0.00 175.55 173.68 2jtm s PHE 50 N 2.82 1.60 -0.12 2.71 -0.71 0.09 -4.93 117.98 119.46 2jtm s PHE 50 Ca 0.42 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.86 2jtm s PHE 50 Cb -0.16 -1.04 -0.05 0.00 -1.21 0.00 0.00 43.02 40.57 2jtm s PHE 50 CO 0.09 -0.04 0.30 -0.98 -1.34 0.00 0.00 175.22 173.24 2jtm s ARG 51 N -0.36 4.05 -0.00 1.99 1.70 -1.26 0.33 118.95 125.39 2jtm s ARG 51 Ca 0.06 0.14 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 2jtm s ARG 51 Cb -0.07 -3.34 -0.00 0.00 -0.57 0.00 0.00 34.95 30.96 2jtm s ARG 51 CO -0.00 0.43 -0.03 -1.58 -1.08 0.00 0.00 175.30 173.03 2jtm s HIS 52 N -0.13 0.31 0.29 5.89 2.46 -0.22 -4.96 115.29 118.93 2jtm s HIS 52 Ca 0.18 -0.06 -0.29 0.00 0.47 0.00 0.00 55.06 55.36 2jtm s HIS 52 Cb -0.14 -0.20 -0.10 0.00 -0.13 0.00 0.00 32.58 32.01 2jtm s HIS 52 CO 0.06 -0.01 1.22 -1.59 -2.47 0.00 0.00 174.74 171.96 2jtm s LYS 53 N -0.08 4.47 0.72 2.88 0.00 -1.26 -1.19 119.74 125.28 2jtm s LYS 53 Ca 0.01 2.03 -0.05 0.00 0.00 0.00 0.00 55.97 57.96 2jtm s LYS 53 Cb -0.01 -3.14 0.09 0.00 0.00 0.00 0.00 37.83 34.77 2jtm s LYS 53 CO -0.00 -0.04 1.01 -0.51 0.00 0.00 0.00 175.35 175.81 2jtm s LEU 54 N -1.42 2.92 0.33 2.77 1.43 0.22 -4.87 118.68 120.07 2jtm s LEU 54 Ca 0.48 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2jtm s LEU 54 Cb -0.36 -2.66 -0.10 0.00 0.03 0.00 0.00 46.19 43.09 2jtm s LEU 54 CO 0.46 -1.75 1.31 -2.84 0.23 0.00 0.00 176.35 173.77 2jtm s PRO 55 N -5.23 4.34 0.43 1.29 0.02 -1.26 -4.69 135.00 129.91 2jtm s PRO 55 Ca 0.63 2.23 0.17 0.00 0.02 0.00 0.00 61.00 64.06 2jtm s PRO 55 Cb -0.08 -3.07 0.98 0.00 0.02 0.00 0.00 34.50 32.35 2jtm s PRO 55 CO 0.45 -0.20 1.92 -0.44 -0.33 0.00 0.00 177.00 178.40 2jtm h ASP 56 N 3.36 0.00 0.46 2.53 3.32 -1.94 -0.91 116.42 123.25 2jtm h ASP 56 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jtm h ASP 56 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2jtm h ASP 56 CO 0.65 0.26 -0.03 -0.67 -1.72 0.00 0.00 179.24 177.73 2jtm n ASP 57 N -3.99 0.13 -4.67 6.45 2.03 -1.26 -4.80 116.55 110.44 2jtm n ASP 57 Ca -0.02 -0.34 -0.43 0.00 0.52 0.00 0.00 54.79 54.52 2jtm n ASP 57 Cb 0.33 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.49 3.34 -0.42 -0.67 5.04 -0.35 -4.98 117.35 116.82 2jtm s TYR 58 Ca 0.30 1.45 -0.27 0.00 -2.44 0.00 0.00 57.07 56.11 2jtm s TYR 58 Cb 0.20 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 39.26 2jtm s TYR 58 CO 0.46 -0.57 1.02 -1.25 -1.34 0.00 0.00 175.55 173.87 2jtm s PRO 59 N 2.78 3.77 0.00 4.97 0.05 -1.26 -4.94 135.00 140.37 2jtm s PRO 59 Ca 0.47 0.55 0.25 0.00 0.05 0.00 0.00 61.00 62.32 2jtm s PRO 59 Cb -0.17 -3.85 0.36 0.00 0.05 0.00 0.00 34.50 30.88 2jtm s PRO 59 CO 0.12 -1.14 1.36 0.44 0.05 0.00 0.00 177.00 177.82