#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh6 n GLU 2 N 0.00 0.00 -2.43 2.12 -0.58 -1.26 -4.92 120.64 113.58 1jh6 n GLU 2 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1jh6 n GLU 2 Cb 0.00 -0.03 -0.02 0.00 -0.57 0.00 0.00 31.44 30.82 1jh6 n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1jh6 s GLU 3 N 0.00 4.17 -0.01 3.49 2.02 -1.26 -4.87 118.70 122.23 1jh6 s GLU 3 Ca 0.00 1.57 0.13 0.00 0.02 0.00 0.00 54.97 56.69 1jh6 s GLU 3 Cb 0.00 -3.79 -0.19 0.00 0.10 0.00 0.00 34.13 30.25 1jh6 s GLU 3 CO 0.00 -0.79 0.34 1.33 0.02 0.00 0.00 175.26 176.16 1jh6 n VAL 4 N 5.55 0.00 -2.96 2.63 0.24 -1.26 -4.96 118.33 117.57 1jh6 n VAL 4 Ca 0.14 -0.28 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1jh6 n VAL 4 Cb 0.45 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.14 1jh6 n VAL 4 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1jh6 s LYS 5 N -2.77 4.52 0.03 7.34 2.20 -1.26 -5.05 119.74 124.75 1jh6 s LYS 5 Ca -0.03 1.11 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1jh6 s LYS 5 Cb 0.09 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1jh6 s LYS 5 CO 0.54 0.32 -0.07 0.15 -0.36 0.00 0.00 175.35 175.94 1jh6 s LYS 6 N -0.21 0.48 0.14 4.03 1.02 -1.26 -4.20 119.74 119.74 1jh6 s LYS 6 Ca 0.39 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 1jh6 s LYS 6 Cb -0.21 -0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1jh6 s LYS 6 CO 0.24 0.04 0.17 -0.51 -0.92 0.00 0.00 175.35 174.38 1jh6 s ASP 7 N -1.35 0.17 -0.03 2.83 1.01 -0.16 -4.80 116.67 114.34 1jh6 s ASP 7 Ca -0.09 -1.02 -0.15 0.00 0.71 0.00 0.00 52.55 52.00 1jh6 s ASP 7 Cb -0.09 0.37 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 1jh6 s ASP 7 CO 0.00 -0.81 0.42 -0.69 0.21 0.00 0.00 175.17 174.30 1jh6 s VAL 8 N -4.00 5.06 0.12 -1.27 1.01 -1.26 -0.66 120.40 119.40 1jh6 s VAL 8 Ca 0.20 0.85 0.11 0.00 0.00 0.00 0.00 61.98 63.13 1jh6 s VAL 8 Cb 0.05 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1jh6 s VAL 8 CO 0.00 0.52 -0.27 -0.31 0.00 0.00 0.00 175.10 175.05 1jh6 s TYR 9 N -0.69 2.30 0.03 5.22 1.51 -1.26 -3.16 117.35 121.30 1jh6 s TYR 9 Ca 0.24 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1jh6 s TYR 9 Cb -0.16 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1jh6 s TYR 9 CO 0.12 0.31 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.63 1jh6 s SER 10 N -1.95 4.22 -0.15 2.29 0.01 0.17 -0.25 113.70 118.05 1jh6 s SER 10 Ca 0.14 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1jh6 s SER 10 Cb -0.10 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.29 1jh6 s SER 10 CO 0.05 0.26 -0.15 -0.69 0.41 0.00 0.00 173.24 173.12 1jh6 s VAL 11 N -0.99 2.77 -0.04 3.43 1.01 0.14 -1.04 120.40 125.68 1jh6 s VAL 11 Ca 0.17 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1jh6 s VAL 11 Cb -0.11 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1jh6 s VAL 11 CO 0.07 0.52 -0.24 0.26 0.00 0.00 0.00 175.10 175.71 1jh6 s TRP 12 N 0.66 2.41 -0.14 5.22 0.51 -0.28 -1.12 118.94 126.21 1jh6 s TRP 12 Ca -0.07 -0.53 -0.18 0.00 -2.12 0.00 0.00 56.10 53.20 1jh6 s TRP 12 Cb -0.16 -1.56 -0.04 0.00 -0.81 0.00 0.00 33.47 30.91 1jh6 s TRP 12 CO 0.02 -0.09 0.46 0.00 -0.51 0.00 0.00 176.95 176.83 1jh6 s ALA 13 N -0.43 3.50 -0.05 0.98 0.00 0.42 0.57 121.76 126.75 1jh6 s ALA 13 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 1jh6 s ALA 13 Cb -0.12 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1jh6 s ALA 13 CO 0.01 -0.05 -0.00 -0.51 0.00 0.00 0.00 175.76 175.21 1jh6 s LEU 14 N 0.75 3.52 0.68 0.00 1.43 0.73 -0.82 118.68 124.97 1jh6 s LEU 14 Ca 0.24 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 1jh6 s LEU 14 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1jh6 s LEU 14 CO 0.09 0.34 1.18 -2.84 0.23 0.00 0.00 176.35 175.36 1jh6 s PRO 15 N -1.14 2.49 0.90 1.29 0.02 -1.26 -2.37 135.00 134.92 1jh6 s PRO 15 Ca 0.16 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1jh6 s PRO 15 Cb -0.11 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.66 1jh6 s PRO 15 CO 0.05 -1.55 1.09 0.16 -0.33 0.00 0.00 177.00 176.42 1jh6 s ASP 16 N -2.05 3.37 0.47 2.53 1.47 0.24 -4.68 116.67 118.01 1jh6 s ASP 16 Ca 0.73 1.55 0.22 0.00 1.18 0.00 0.00 52.55 56.24 1jh6 s ASP 16 Cb -0.27 -2.22 1.24 0.00 -0.34 0.00 0.00 42.92 41.32 1jh6 s ASP 16 CO 0.41 -2.72 1.91 -0.33 0.68 0.00 0.00 175.17 175.13 1jh6 h GLU 17 N -1.60 0.22 -0.31 2.11 3.07 -1.94 -1.14 114.58 114.98 1jh6 h GLU 17 Ca -0.49 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.28 1jh6 h GLU 17 Cb 1.28 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1jh6 h GLU 17 CO 0.53 0.14 -0.07 1.49 -1.40 0.00 0.00 179.01 179.70 1jh6 h GLU 18 N 0.22 0.60 0.00 2.33 4.81 -1.96 -3.33 114.58 117.24 1jh6 h GLU 18 Ca 0.38 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1jh6 h GLU 18 Cb 1.17 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1jh6 h GLU 18 CO -0.08 0.78 -1.49 -1.13 -0.73 0.00 0.00 179.01 176.36 1jh6 n SER 19 N -4.47 0.59 -0.11 1.04 3.41 -0.89 -4.49 113.62 108.71 1jh6 n SER 19 Ca -0.03 0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1jh6 n SER 19 Cb 0.32 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1jh6 n SER 19 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1jh6 h GLU 20 N 0.00 -0.15 0.00 4.33 4.81 -1.34 -1.23 114.58 121.00 1jh6 h GLU 20 Ca -0.10 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1jh6 h GLU 20 Cb 1.31 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1jh6 h GLU 20 CO 0.02 -0.10 -0.11 -1.00 -0.73 0.00 0.00 179.01 177.09 1jh6 h PRO 21 N -0.16 0.00 -0.39 0.92 0.13 -1.79 0.12 132.00 130.83 1jh6 h PRO 21 Ca 0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.24 1jh6 h PRO 21 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1jh6 h PRO 21 CO -0.48 0.11 -0.07 -0.09 -0.23 0.00 0.00 178.00 177.24 1jh6 h ARG 22 N 0.00 0.75 -0.10 0.86 2.43 -1.48 -1.22 114.38 115.62 1jh6 h ARG 22 Ca -0.00 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 1jh6 h ARG 22 Cb 0.24 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1jh6 h ARG 22 CO 0.01 0.87 -0.01 0.74 -1.51 0.00 0.00 179.97 180.08 1jh6 h PHE 23 N 0.56 0.20 -0.62 2.20 0.05 -0.73 -2.56 116.94 116.04 1jh6 h PHE 23 Ca 0.10 -0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.90 1jh6 h PHE 23 Cb 0.59 -0.05 -0.05 0.00 2.00 0.00 0.00 35.95 38.44 1jh6 h PHE 23 CO 0.05 0.46 0.36 0.87 -0.18 0.00 0.00 178.31 179.87 1jh6 h LYS 24 N -0.12 0.68 -0.25 1.51 1.57 -0.82 0.36 116.57 119.50 1jh6 h LYS 24 Ca 0.03 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1jh6 h LYS 24 Cb 0.39 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1jh6 h LYS 24 CO 0.01 0.45 -0.19 0.87 -0.57 0.00 0.00 179.45 180.02 1jh6 h LYS 25 N 0.70 -0.17 -0.59 3.15 6.56 -1.13 0.28 116.57 125.37 1jh6 h LYS 25 Ca 0.26 0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.77 1jh6 h LYS 25 Cb 0.10 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 1jh6 h LYS 25 CO -0.14 -0.12 0.00 1.25 -2.06 0.00 0.00 179.45 178.39 1jh6 h LEU 26 N -0.18 1.01 -0.14 2.94 5.85 -1.02 -1.73 115.31 122.04 1jh6 h LEU 26 Ca 0.14 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jh6 h LEU 26 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jh6 h LEU 26 CO -0.36 1.06 0.04 0.24 -0.34 0.00 0.00 178.44 179.07 1jh6 h MET 27 N 0.95 0.22 -0.54 1.25 2.86 -0.19 -0.80 114.93 118.67 1jh6 h MET 27 Ca 0.17 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1jh6 h MET 27 Cb 0.54 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1jh6 h MET 27 CO 0.03 0.37 0.30 1.49 1.06 0.00 0.00 176.91 180.16 1jh6 h GLU 28 N 0.03 0.74 -0.19 1.72 4.57 -0.39 -0.52 114.58 120.54 1jh6 h GLU 28 Ca 0.04 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1jh6 h GLU 28 Cb 0.25 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1jh6 h GLU 28 CO -0.00 0.54 -0.08 0.00 -1.18 0.00 0.00 179.01 178.29 1jh6 h ALA 29 N 1.58 0.27 -0.29 2.92 0.00 -1.02 -2.58 119.26 120.14 1jh6 h ALA 29 Ca 0.19 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1jh6 h ALA 29 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jh6 h ALA 29 CO -0.03 0.09 -0.41 -0.07 0.00 0.00 0.00 179.25 178.82 1jh6 h LEU 30 N 0.09 0.74 -0.30 0.00 3.38 -0.85 -3.02 115.31 115.35 1jh6 h LEU 30 Ca 0.04 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1jh6 h LEU 30 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jh6 h LEU 30 CO 0.03 1.06 0.00 0.08 0.09 0.00 0.00 178.44 179.70 1jh6 h ARG 31 N 0.57 0.00 -0.00 1.13 0.11 -1.13 0.48 114.38 115.54 1jh6 h ARG 31 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1jh6 h ARG 31 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1jh6 h ARG 31 CO 0.09 0.00 -0.37 0.43 0.10 0.00 0.00 179.97 180.22 1jh6 n SER 32 N -2.38 0.52 -0.02 0.08 7.64 -0.97 -0.80 113.62 117.69 1jh6 n SER 32 Ca 0.04 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1jh6 n SER 32 Cb 0.37 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1jh6 n SER 32 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1jh6 n GLU 33 N -1.32 1.42 -0.00 1.43 2.13 -0.89 -4.65 120.64 118.77 1jh6 n GLU 33 Ca 0.07 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1jh6 n GLU 33 Cb 0.33 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1jh6 n GLU 33 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1jh6 n PHE 34 N -2.02 0.00 -2.17 4.31 3.01 0.11 -5.10 117.46 115.60 1jh6 n PHE 34 Ca -0.07 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1jh6 n PHE 34 Cb 0.47 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1jh6 n PHE 34 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jh6 n THR 35 N -0.02 -8.19 -3.80 4.37 -1.04 0.02 -4.96 114.28 100.66 1jh6 n THR 35 Ca 0.01 1.96 -0.05 0.00 -2.04 0.00 0.00 64.05 63.92 1jh6 n THR 35 Cb 0.05 -4.18 -0.01 0.00 -1.82 0.00 0.00 70.33 64.37 1jh6 n THR 35 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1jh6 s GLY 36 N -0.36 -0.15 0.64 3.41 0.00 -1.18 -4.87 107.32 104.82 1jh6 s GLY 36 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.49 1jh6 s GLY 36 CO 0.00 0.03 1.08 2.56 0.00 0.00 0.00 173.10 176.78 1jh6 s PRO 37 N -3.45 3.00 0.10 2.90 0.04 -1.26 -4.91 135.00 131.41 1jh6 s PRO 37 Ca 0.12 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.20 1jh6 s PRO 37 Cb -0.03 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1jh6 s PRO 37 CO 0.05 -1.08 0.71 -0.98 0.04 0.00 0.00 177.00 175.74 1jh6 s ARG 38 N -4.20 4.45 0.08 4.56 1.70 -1.26 -4.76 118.95 119.52 1jh6 s ARG 38 Ca 0.65 1.00 -0.24 0.00 -0.47 0.00 0.00 55.73 56.67 1jh6 s ARG 38 Cb -0.18 -3.29 0.06 0.00 -0.57 0.00 0.00 34.95 30.97 1jh6 s ARG 38 CO 0.41 0.49 0.59 -0.59 -1.08 0.00 0.00 175.30 175.12 1jh6 s PHE 39 N -0.74 -0.52 0.38 5.89 -0.71 -1.26 -5.04 117.98 115.98 1jh6 s PHE 39 Ca 0.35 0.53 -0.22 0.00 -1.04 0.00 0.00 56.93 56.54 1jh6 s PHE 39 Cb -0.21 0.46 -0.10 0.00 -1.21 0.00 0.00 43.02 41.95 1jh6 s PHE 39 CO 0.23 -0.74 0.93 0.14 -1.34 0.00 0.00 175.22 174.44 1jh6 s VAL 40 N -2.85 4.35 0.30 -2.49 -7.23 -1.26 -5.01 120.40 106.22 1jh6 s VAL 40 Ca -0.03 1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 61.41 1jh6 s VAL 40 Cb -0.01 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 33.08 1jh6 s VAL 40 CO -0.05 -0.14 1.44 -2.16 -0.31 0.00 0.00 175.10 173.88 1jh6 s PRO 41 N -2.75 4.24 0.16 4.82 0.04 -1.26 -4.98 135.00 135.27 1jh6 s PRO 41 Ca 0.57 2.37 -0.23 0.00 0.04 0.00 0.00 61.00 63.74 1jh6 s PRO 41 Cb -0.13 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1jh6 s PRO 41 CO 0.17 -0.41 0.65 -3.38 0.04 0.00 0.00 177.00 174.07 1jh6 s HIS 42 N -0.50 -0.47 -0.23 0.56 -3.43 -1.26 -4.44 115.29 105.52 1jh6 s HIS 42 Ca 0.56 0.23 0.01 0.00 -0.80 0.00 0.00 55.06 55.07 1jh6 s HIS 42 Cb -0.43 0.58 0.06 0.00 -1.43 0.00 0.00 32.58 31.35 1jh6 s HIS 42 CO 0.50 -0.87 -0.08 0.08 -2.00 0.00 0.00 174.74 172.37 1jh6 s VAL 43 N -3.70 1.75 0.22 -5.38 1.01 -0.00 -4.20 120.40 110.10 1jh6 s VAL 43 Ca 0.03 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1jh6 s VAL 43 Cb -0.02 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1jh6 s VAL 43 CO -0.10 -0.01 1.32 -0.89 0.00 0.00 0.00 175.10 175.43 1jh6 s THR 44 N 1.31 3.10 0.00 3.92 2.01 -1.26 -0.43 115.64 124.29 1jh6 s THR 44 Ca -0.05 0.93 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1jh6 s THR 44 Cb -0.18 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1jh6 s THR 44 CO -0.06 0.15 0.00 1.33 -0.69 0.00 0.00 174.62 175.35 1jh6 n VAL 45 N 2.40 0.00 -3.58 3.82 0.24 -0.27 -4.87 118.33 116.07 1jh6 n VAL 45 Ca 0.05 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 1jh6 n VAL 45 Cb 0.42 0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 33.51 1jh6 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jh6 s ALA 46 N -1.41 -1.93 -0.11 2.33 0.00 -1.18 -4.16 121.76 115.30 1jh6 s ALA 46 Ca 0.00 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1jh6 s ALA 46 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1jh6 s ALA 46 CO 0.00 -0.32 -0.03 0.08 0.00 0.00 0.00 175.76 175.49 1jh6 s VAL 47 N -1.19 0.69 0.84 0.00 1.01 -1.26 0.24 120.40 120.72 1jh6 s VAL 47 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1jh6 s VAL 47 Cb -0.00 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.67 1jh6 s VAL 47 CO 0.01 0.23 1.17 -0.94 0.00 0.00 0.00 175.10 175.57 1jh6 s SER 48 N 1.84 3.96 0.00 3.32 1.04 0.66 -4.76 113.70 119.76 1jh6 s SER 48 Ca 0.04 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1jh6 s SER 48 Cb -0.13 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1jh6 s SER 48 CO -0.07 -2.18 0.00 0.00 0.98 0.00 0.00 173.24 171.97 1jh6 n ALA 49 N -3.34 0.00 -2.42 5.32 0.00 -1.26 -4.30 120.51 114.51 1jh6 n ALA 49 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1jh6 n ALA 49 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1jh6 n ALA 49 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1jh6 s TYR 50 N 1.66 3.20 0.02 0.00 1.51 -1.26 -4.24 117.35 118.24 1jh6 s TYR 50 Ca 0.00 1.19 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 1jh6 s TYR 50 Cb 0.00 -3.45 -0.02 0.00 -0.11 0.00 0.00 41.96 38.39 1jh6 s TYR 50 CO 0.00 -1.44 -0.10 -0.51 -1.11 0.00 0.00 175.55 172.40 1jh6 s LEU 51 N 2.00 2.13 0.84 -1.29 1.43 0.16 -4.83 118.68 119.12 1jh6 s LEU 51 Ca 0.57 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1jh6 s LEU 51 Cb -0.26 -0.39 0.09 0.00 0.03 0.00 0.00 46.19 45.66 1jh6 s LEU 51 CO 0.24 -0.01 1.10 0.42 0.23 0.00 0.00 176.35 178.34 1jh6 s THR 52 N -0.71 2.82 0.22 5.49 -4.23 -1.26 -0.99 115.64 116.99 1jh6 s THR 52 Ca -0.01 0.27 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1jh6 s THR 52 Cb -0.06 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1jh6 s THR 52 CO 0.00 -0.35 1.85 0.00 -0.54 0.00 0.00 174.62 175.59 1jh6 h ALA 53 N -1.24 1.08 -0.64 3.99 0.00 -1.97 -1.20 119.26 119.28 1jh6 h ALA 53 Ca -0.48 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1jh6 h ALA 53 Cb 1.28 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1jh6 h ALA 53 CO 0.59 0.57 0.04 0.22 0.00 0.00 0.00 179.25 180.66 1jh6 h ASP 54 N 1.17 1.07 -0.45 0.00 3.58 -1.94 0.12 116.42 119.97 1jh6 h ASP 54 Ca 0.30 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 1jh6 h ASP 54 Cb -0.00 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1jh6 h ASP 54 CO -0.05 1.09 0.02 -0.33 -2.88 0.00 0.00 179.24 177.09 1jh6 h GLU 55 N 1.01 0.78 -0.57 0.28 5.08 -1.82 -1.63 114.58 117.71 1jh6 h GLU 55 Ca 0.19 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1jh6 h GLU 55 Cb 0.52 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1jh6 h GLU 55 CO 0.02 0.83 0.10 0.00 -1.00 0.00 0.00 179.01 178.97 1jh6 h ALA 56 N 0.92 1.11 0.04 3.43 0.00 -0.95 -0.89 119.26 122.92 1jh6 h ALA 56 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jh6 h ALA 56 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jh6 h ALA 56 CO 0.02 0.59 -0.02 -0.22 0.00 0.00 0.00 179.25 179.61 1jh6 h LYS 57 N 0.85 -0.06 -0.93 0.00 3.64 -0.49 0.38 116.57 119.96 1jh6 h LYS 57 Ca 0.18 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1jh6 h LYS 57 Cb 0.37 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 1jh6 h LYS 57 CO 0.01 0.01 0.62 0.87 -2.27 0.00 0.00 179.45 178.68 1jh6 h LYS 58 N -0.11 1.22 -0.30 1.90 6.56 -0.99 -0.28 116.57 124.58 1jh6 h LYS 58 Ca -0.01 -0.07 -0.13 0.00 -1.06 0.00 0.00 60.65 59.38 1jh6 h LYS 58 Cb 0.09 -0.28 -0.01 0.00 -0.57 0.00 0.00 32.23 31.46 1jh6 h LYS 58 CO 0.01 0.81 -0.34 0.52 -2.06 0.00 0.00 179.45 178.39 1jh6 h MET 59 N 1.26 0.65 0.01 3.15 2.86 -0.97 -2.03 114.93 119.86 1jh6 h MET 59 Ca 0.34 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1jh6 h MET 59 Cb -0.14 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1jh6 h MET 59 CO -0.07 0.90 -0.01 0.35 1.06 0.00 0.00 176.91 179.14 1jh6 h PHE 60 N 0.55 -0.02 -0.88 -0.22 -0.00 -0.38 -0.76 116.94 115.23 1jh6 h PHE 60 Ca 0.06 -0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.08 1jh6 h PHE 60 Cb 0.84 0.01 -0.06 0.00 -0.00 0.00 0.00 35.95 36.74 1jh6 h PHE 60 CO 0.04 0.14 0.56 0.93 -0.00 0.00 0.00 178.31 179.98 1jh6 h GLU 61 N -0.17 1.02 -0.62 1.11 5.08 -0.95 0.14 114.58 120.18 1jh6 h GLU 61 Ca -0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jh6 h GLU 61 Cb 0.17 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1jh6 h GLU 61 CO 0.00 0.67 0.28 0.77 -1.00 0.00 0.00 179.01 179.74 1jh6 h SER 62 N 1.05 0.83 -0.11 1.42 0.02 -1.07 -1.42 113.55 114.26 1jh6 h SER 62 Ca 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1jh6 h SER 62 Cb 0.09 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1jh6 h SER 62 CO -0.15 0.75 0.02 0.00 -1.14 0.00 0.00 176.83 176.31 1jh6 h ALA 63 N 1.12 0.15 -0.71 3.77 0.00 -0.44 -1.41 119.26 121.75 1jh6 h ALA 63 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1jh6 h ALA 63 Cb 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1jh6 h ALA 63 CO -0.02 -0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.44 1jh6 h ASP 65 N 0.77 0.38 -0.85 0.00 3.32 -1.19 -3.27 116.42 115.58 1jh6 h ASP 65 Ca 0.31 -0.23 -0.36 0.00 0.02 0.00 0.00 57.03 56.76 1jh6 h ASP 65 Cb 0.15 -0.11 -0.22 0.00 0.22 0.00 0.00 39.33 39.37 1jh6 h ASP 65 CO -0.16 0.93 0.46 0.61 -1.72 0.00 0.00 179.24 179.36 1jh6 n GLY 66 N 0.40 4.00 2.71 2.75 0.00 -0.54 -4.85 105.19 109.67 1jh6 n GLY 66 Ca -0.03 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 1jh6 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jh6 s LEU 67 N -3.03 0.48 0.35 0.99 2.96 -0.95 -4.99 118.68 114.50 1jh6 s LEU 67 Ca 0.54 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1jh6 s LEU 67 Cb 0.44 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.99 1jh6 s LEU 67 CO 0.12 -0.20 0.61 -0.54 -1.32 0.00 0.00 176.35 175.02 1jh6 s LYS 68 N 1.76 3.59 0.45 1.98 -0.14 -1.26 -4.13 119.74 121.99 1jh6 s LYS 68 Ca -0.00 -0.02 -0.25 0.00 -1.36 0.00 0.00 55.97 54.34 1jh6 s LYS 68 Cb -0.12 -2.58 -0.08 0.00 -1.68 0.00 0.00 37.83 33.36 1jh6 s LYS 68 CO -0.03 0.10 1.35 0.00 -0.76 0.00 0.00 175.35 176.01 1jh6 n ALA 69 N -1.45 1.67 -3.76 5.17 0.00 0.26 -4.87 120.51 117.54 1jh6 n ALA 69 Ca -0.02 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1jh6 n ALA 69 Cb 0.55 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1jh6 n ALA 69 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1jh6 n TYR 70 N -0.32 -0.34 -4.14 0.00 0.18 -0.94 -4.86 117.16 106.73 1jh6 n TYR 70 Ca 0.06 -1.54 -0.13 0.00 1.88 0.00 0.00 57.90 58.18 1jh6 n TYR 70 Cb 0.41 0.13 -0.11 0.00 -0.38 0.00 0.00 39.34 39.39 1jh6 n TYR 70 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1jh6 s THR 71 N -2.68 0.75 0.17 -3.48 -4.23 -1.26 -0.54 115.64 104.37 1jh6 s THR 71 Ca 0.20 -1.58 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1jh6 s THR 71 Cb 0.01 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1jh6 s THR 71 CO 0.14 -0.61 -0.17 0.00 -0.54 0.00 0.00 174.62 173.44 1jh6 s ALA 72 N -2.53 1.99 -0.07 3.99 0.00 0.07 -4.64 121.76 120.57 1jh6 s ALA 72 Ca 0.03 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.48 1jh6 s ALA 72 Cb -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1jh6 s ALA 72 CO -0.01 0.18 -0.11 0.99 0.00 0.00 0.00 175.76 176.81 1jh6 s THR 73 N -2.30 1.07 0.02 0.00 2.01 -1.26 -0.80 115.64 114.39 1jh6 s THR 73 Ca 0.17 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1jh6 s THR 73 Cb -0.04 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.40 1jh6 s THR 73 CO 0.07 0.35 1.41 -0.69 -0.69 0.00 0.00 174.62 175.06 1jh6 s VAL 74 N 0.82 3.62 -0.15 3.82 1.01 0.15 -0.55 120.40 129.12 1jh6 s VAL 74 Ca -0.12 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 1jh6 s VAL 74 Cb -0.15 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 1jh6 s VAL 74 CO 0.02 0.01 0.09 -0.78 0.00 0.00 0.00 175.10 174.45 1jh6 h ASP 75 N 7.66 0.00 -5.23 3.32 3.58 -1.01 0.48 116.42 125.22 1jh6 h ASP 75 Ca -0.39 -0.27 0.12 0.00 0.42 0.00 0.00 57.03 56.91 1jh6 h ASP 75 Cb 1.19 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.19 1jh6 h ASP 75 CO 0.89 0.92 0.42 0.00 -2.88 0.00 0.00 179.24 178.60 1jh6 s ARG 76 N -2.12 1.52 -0.18 0.28 1.70 -1.23 -4.13 118.95 114.79 1jh6 s ARG 76 Ca -0.16 -0.90 -0.19 0.00 -0.47 0.00 0.00 55.73 54.02 1jh6 s ARG 76 Cb 0.02 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 1jh6 s ARG 76 CO 0.33 -0.70 0.52 0.08 -1.08 0.00 0.00 175.30 174.45 1jh6 s VAL 77 N -3.01 5.12 0.41 4.99 1.01 -1.26 -1.01 120.40 126.65 1jh6 s VAL 77 Ca 0.15 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1jh6 s VAL 77 Cb -0.03 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1jh6 s VAL 77 CO 0.05 0.21 0.04 -0.55 0.00 0.00 0.00 175.10 174.85 1jh6 s SER 78 N 1.04 3.36 0.10 3.32 0.15 0.91 -4.93 113.70 117.65 1jh6 s SER 78 Ca 0.25 -1.48 0.05 0.00 0.70 0.00 0.00 55.95 55.47 1jh6 s SER 78 Cb -0.15 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1jh6 s SER 78 CO 0.10 -0.65 -0.12 0.42 1.20 0.00 0.00 173.24 174.19 1jh6 s THR 79 N -2.98 1.12 0.00 6.45 -4.23 -1.26 -1.15 115.64 113.60 1jh6 s THR 79 Ca 0.28 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1jh6 s THR 79 Cb 0.07 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1jh6 s THR 79 CO 0.14 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1jh6 n GLY 80 N 0.64 4.07 0.55 3.99 0.00 -0.25 -4.95 105.19 109.23 1jh6 n GLY 80 Ca -0.16 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.72 1jh6 n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jh6 n THR 81 N -0.07 0.07 -4.15 2.61 -2.24 -1.08 -4.69 114.28 104.72 1jh6 n THR 81 Ca 0.00 -0.53 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1jh6 n THR 81 Cb 0.00 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1jh6 n THR 81 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1jh6 s PHE 82 N -1.10 1.21 0.20 4.78 -0.71 -1.23 -5.05 117.98 116.08 1jh6 s PHE 82 Ca 0.16 -1.36 -0.21 0.00 -1.04 0.00 0.00 56.93 54.48 1jh6 s PHE 82 Cb 0.11 -0.31 0.14 0.00 -1.21 0.00 0.00 43.02 41.75 1jh6 s PHE 82 CO 0.17 -0.97 1.56 0.35 -1.34 0.00 0.00 175.22 174.99 1jh6 h PHE 83 N 2.21 -1.20 0.00 3.49 3.04 -1.96 -1.27 116.94 121.25 1jh6 h PHE 83 Ca -0.28 0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1jh6 h PHE 83 Cb 1.24 0.64 0.00 0.00 2.56 0.00 0.00 35.95 40.39 1jh6 h PHE 83 CO 1.28 -0.40 0.00 1.19 -2.02 0.00 0.00 178.31 178.36 1jh6 n PHE 84 N -5.43 0.00 -3.49 0.41 3.01 -1.26 -1.73 117.46 108.97 1jh6 n PHE 84 Ca 0.06 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.26 1jh6 n PHE 84 Cb 0.36 -0.29 -0.09 0.00 -0.01 0.00 0.00 39.48 39.45 1jh6 n PHE 84 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1jh6 n GLN 85 N -1.29 1.41 0.00 -1.08 6.02 -0.48 -4.92 117.38 117.04 1jh6 n GLN 85 Ca 0.14 -3.96 0.00 0.00 -0.01 0.00 0.00 57.00 53.17 1jh6 n GLN 85 Cb 0.24 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1jh6 n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jh6 s VAL 87 N -0.73 1.05 0.12 0.00 1.01 -1.23 -1.09 120.40 119.52 1jh6 s VAL 87 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1jh6 s VAL 87 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1jh6 s VAL 87 CO 0.00 0.37 0.22 0.72 0.00 0.00 0.00 175.10 176.41 1jh6 s PHE 88 N 1.54 0.26 -0.36 5.22 -0.71 -0.30 -1.10 117.98 122.54 1jh6 s PHE 88 Ca 0.02 -0.67 -0.20 0.00 -1.04 0.00 0.00 56.93 55.04 1jh6 s PHE 88 Cb -0.13 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 1jh6 s PHE 88 CO -0.06 -0.61 0.62 -0.51 -1.34 0.00 0.00 175.22 173.32 1jh6 s LEU 89 N -2.91 4.27 -0.01 -1.99 1.43 0.48 -0.06 118.68 119.89 1jh6 s LEU 89 Ca 0.10 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 1jh6 s LEU 89 Cb 0.04 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1jh6 s LEU 89 CO -0.07 -0.59 1.10 -0.22 0.23 0.00 0.00 176.35 176.80 1jh6 s LEU 90 N 2.68 4.33 0.03 1.79 2.96 -0.18 -1.68 118.68 128.61 1jh6 s LEU 90 Ca 0.24 1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 1jh6 s LEU 90 Cb -0.15 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1jh6 s LEU 90 CO 0.15 -0.43 0.17 -0.76 -1.32 0.00 0.00 176.35 174.17 1jh6 s LEU 91 N 1.48 4.27 0.30 -0.68 1.43 -0.54 -0.36 118.68 124.58 1jh6 s LEU 91 Ca 0.54 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 1jh6 s LEU 91 Cb -0.24 -2.72 -0.11 0.00 0.03 0.00 0.00 46.19 43.15 1jh6 s LEU 91 CO 0.25 0.21 1.53 -1.10 0.23 0.00 0.00 176.35 177.47 1jh6 s GLN 92 N -2.22 4.16 -1.49 1.70 -1.52 0.29 -4.72 119.66 115.86 1jh6 s GLN 92 Ca 0.30 2.51 -0.09 0.00 -1.95 0.00 0.00 55.36 56.13 1jh6 s GLN 92 Cb -0.13 -3.03 -0.07 0.00 -0.22 0.00 0.00 33.01 29.57 1jh6 s GLN 92 CO 0.23 -0.55 2.91 0.25 -0.25 0.00 0.00 175.29 177.88 1jh6 n THR 93 N 1.77 4.39 -1.42 -0.19 -2.24 -1.26 -4.72 114.28 110.62 1jh6 n THR 93 Ca 0.06 -2.79 -0.31 0.00 -2.27 0.00 0.00 64.05 58.74 1jh6 n THR 93 Cb 0.38 -2.50 0.08 0.00 -2.10 0.00 0.00 70.33 66.19 1jh6 n THR 93 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jh6 s THR 94 N 1.57 3.55 0.24 4.28 -4.23 -1.26 -4.78 115.64 115.01 1jh6 s THR 94 Ca 0.67 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 61.64 1jh6 s THR 94 Cb 0.19 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 71.11 1jh6 s THR 94 CO -0.06 -0.66 1.79 -0.65 -0.54 0.00 0.00 174.62 174.50 1jh6 h PRO 95 N -0.98 0.69 -0.28 3.99 0.11 -1.99 -0.71 132.00 132.84 1jh6 h PRO 95 Ca -0.44 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1jh6 h PRO 95 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1jh6 h PRO 95 CO 0.55 0.46 -0.30 1.05 -0.21 0.00 0.00 178.00 179.54 1jh6 h GLU 96 N 0.71 0.57 -0.13 1.05 4.11 -1.93 0.14 114.58 119.11 1jh6 h GLU 96 Ca 0.40 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.49 1jh6 h GLU 96 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1jh6 h GLU 96 CO -0.27 0.81 -0.26 0.28 0.07 0.00 0.00 179.01 179.63 1jh6 h VAL 97 N 0.49 1.37 -0.59 -1.06 2.07 -1.68 -1.93 116.25 114.91 1jh6 h VAL 97 Ca 0.06 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 1jh6 h VAL 97 Cb 0.77 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1jh6 h VAL 97 CO 0.06 0.45 0.09 0.24 0.02 0.00 0.00 177.57 178.43 1jh6 h MET 98 N -0.01 0.99 -0.30 1.57 2.86 -1.05 -2.88 114.93 116.12 1jh6 h MET 98 Ca 0.00 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1jh6 h MET 98 Cb 0.86 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1jh6 h MET 98 CO 0.06 0.94 -0.21 0.93 1.06 0.00 0.00 176.91 179.68 1jh6 h GLU 99 N 0.89 0.56 -0.72 1.72 5.08 -0.72 -1.03 114.58 120.35 1jh6 h GLU 99 Ca 0.18 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jh6 h GLU 99 Cb 0.43 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1jh6 h GLU 99 CO 0.01 0.74 0.41 0.00 -1.00 0.00 0.00 179.01 179.17 1jh6 h ALA 100 N 1.27 0.93 -0.48 3.43 0.00 -1.24 0.48 119.26 123.66 1jh6 h ALA 100 Ca 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1jh6 h ALA 100 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jh6 h ALA 100 CO 0.05 0.42 0.12 0.78 0.00 0.00 0.00 179.25 180.62 1jh6 h GLY 101 N 0.99 0.83 0.93 0.00 0.00 -1.26 -0.23 103.07 104.33 1jh6 h GLY 101 Ca 0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1jh6 h GLY 101 CO -0.04 0.48 0.14 -2.09 0.00 0.00 0.00 176.54 175.02 1jh6 h GLU 102 N 0.65 0.45 -0.22 4.80 4.81 -0.52 -1.40 114.58 123.15 1jh6 h GLU 102 Ca 0.15 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1jh6 h GLU 102 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1jh6 h GLU 102 CO 0.00 0.44 -0.50 0.45 -0.73 0.00 0.00 179.01 178.67 1jh6 h HIS 103 N 0.35 0.73 -0.35 0.92 3.86 0.04 -1.35 115.15 119.36 1jh6 h HIS 103 Ca 0.10 -0.24 -0.12 0.00 -1.16 0.00 0.00 60.37 58.95 1jh6 h HIS 103 Cb 0.15 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1jh6 h HIS 103 CO -0.01 0.98 -0.27 0.00 0.86 0.00 0.00 177.93 179.49 1jh6 h LYS 105 N 0.62 0.23 0.50 0.00 1.57 -1.16 -1.70 116.57 116.63 1jh6 h LYS 105 Ca 0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1jh6 h LYS 105 Cb 0.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1jh6 h LYS 105 CO 0.06 0.56 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.35 1jh6 h ASN 106 N 0.20 -0.57 -0.93 0.86 -0.26 -0.80 -0.78 115.58 113.30 1jh6 h ASN 106 Ca 0.02 -0.05 0.08 0.00 -0.56 0.00 0.00 56.30 55.79 1jh6 h ASN 106 Cb 0.72 0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 38.06 1jh6 h ASN 106 CO 0.05 -0.28 0.58 0.45 -1.06 0.00 0.00 177.43 177.18 1jh6 h HIS 107 N -0.85 1.07 -0.36 1.19 3.86 -1.03 -1.69 115.15 117.34 1jh6 h HIS 107 Ca -0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jh6 h HIS 107 Cb 0.59 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1jh6 h HIS 107 CO -0.01 0.50 0.00 1.19 0.86 0.00 0.00 177.93 180.48 1jh6 n PHE 108 N -4.60 1.11 -4.06 2.45 3.01 -0.66 -4.82 117.46 109.89 1jh6 n PHE 108 Ca 0.15 -0.40 -0.27 0.00 1.01 0.00 0.00 57.45 57.94 1jh6 n PHE 108 Cb 0.24 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 1jh6 n PHE 108 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jh6 n ASN 109 N 0.46 -0.13 -4.80 4.37 3.02 -0.64 -4.59 115.26 112.96 1jh6 n ASN 109 Ca 0.16 -1.07 -0.33 0.00 -0.03 0.00 0.00 54.58 53.30 1jh6 n ASN 109 Cb 0.72 -2.68 -0.01 0.00 -0.61 0.00 0.00 39.78 37.20 1jh6 n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jh6 s SER 111 N -2.43 5.93 0.18 0.00 0.01 -1.26 -4.92 113.70 111.21 1jh6 s SER 111 Ca 0.65 0.34 -0.33 0.00 1.31 0.00 0.00 55.95 57.92 1jh6 s SER 111 Cb -0.16 -1.65 -0.14 0.00 0.21 0.00 0.00 66.02 64.28 1jh6 s SER 111 CO 0.29 -0.63 1.45 0.41 0.41 0.00 0.00 173.24 175.16 1jh6 n THR 112 N -2.04 0.41 0.00 1.44 -1.04 -1.26 -4.94 114.28 106.85 1jh6 n THR 112 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1jh6 n THR 112 Cb 0.57 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 1jh6 n THR 112 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jh6 n THR 113 N 2.59 0.00 -3.55 12.58 -2.24 -1.26 -5.15 114.28 117.25 1jh6 n THR 113 Ca 0.15 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.74 1jh6 n THR 113 Cb 0.28 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1jh6 n THR 113 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jh6 s THR 114 N 3.48 4.14 0.31 4.28 -4.23 -1.26 -5.04 115.64 117.31 1jh6 s THR 114 Ca 0.00 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1jh6 s THR 114 Cb 0.00 -3.43 -0.14 0.00 1.34 0.00 0.00 72.50 70.27 1jh6 s THR 114 CO 0.00 -0.18 0.88 -2.65 -0.54 0.00 0.00 174.62 172.14 1jh6 n PRO 115 N -1.59 1.07 -2.21 3.99 -0.02 -1.26 -4.82 135.00 130.15 1jh6 n PRO 115 Ca -0.01 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1jh6 n PRO 115 Cb 0.58 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 1jh6 n PRO 115 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jh6 s TYR 116 N -1.12 2.33 -0.76 6.00 5.04 -1.26 -4.91 117.35 122.67 1jh6 s TYR 116 Ca 0.60 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1jh6 s TYR 116 Cb -0.71 -3.85 0.21 0.00 0.35 0.00 0.00 41.96 37.96 1jh6 s TYR 116 CO 0.59 -2.67 0.68 -0.12 -1.34 0.00 0.00 175.55 172.69 1jh6 n MET 117 N 7.25 2.33 -1.64 4.97 0.00 -1.26 -5.07 117.12 123.70 1jh6 n MET 117 Ca 0.17 -4.54 -0.50 0.00 -0.00 0.00 0.00 57.70 52.83 1jh6 n MET 117 Cb 0.45 -2.33 -0.05 0.00 0.00 0.00 0.00 33.22 31.29 1jh6 n MET 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1jh6 n PRO 118 N 1.76 1.58 -3.56 2.12 -0.04 -1.26 -4.91 135.00 130.69 1jh6 n PRO 118 Ca 0.23 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1jh6 n PRO 118 Cb 0.37 -2.28 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 1jh6 n PRO 118 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jh6 s HIS 119 N 1.38 -0.37 -0.29 0.54 -3.43 -1.26 -1.46 115.29 110.40 1jh6 s HIS 119 Ca 0.85 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 55.34 1jh6 s HIS 119 Cb -0.85 0.37 0.06 0.00 -1.43 0.00 0.00 32.58 30.72 1jh6 s HIS 119 CO 0.47 -0.72 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.28 1jh6 s LEU 120 N -2.48 3.74 0.30 5.38 0.20 -0.68 -4.33 118.68 120.82 1jh6 s LEU 120 Ca -0.01 -1.35 -0.29 0.00 0.69 0.00 0.00 54.13 53.17 1jh6 s LEU 120 Cb 0.00 -1.64 -0.10 0.00 -0.43 0.00 0.00 46.19 44.02 1jh6 s LEU 120 CO -0.08 -0.24 1.34 -0.44 -0.29 0.00 0.00 176.35 176.64 1jh6 s SER 121 N 1.19 6.75 -0.08 3.68 0.01 -1.26 -0.38 113.70 123.61 1jh6 s SER 121 Ca -0.06 2.66 0.12 0.00 1.31 0.00 0.00 55.95 59.97 1jh6 s SER 121 Cb -0.20 -2.64 -0.17 0.00 0.21 0.00 0.00 66.02 63.22 1jh6 s SER 121 CO -0.03 -0.58 0.14 0.18 0.41 0.00 0.00 173.24 173.36 1jh6 n LEU 122 N 1.37 0.00 -3.71 2.44 4.77 -0.25 -4.78 117.00 116.84 1jh6 n LEU 122 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1jh6 n LEU 122 Cb 0.41 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1jh6 n LEU 122 CO 0.59 0.19 0.09 -0.22 -1.33 0.00 0.00 177.39 176.71 1jh6 s LEU 123 N -4.53 0.18 -0.20 2.23 2.96 -0.89 -4.50 118.68 113.92 1jh6 s LEU 123 Ca -0.06 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1jh6 s LEU 123 Cb 0.05 1.44 -0.01 0.00 0.50 0.00 0.00 46.19 48.18 1jh6 s LEU 123 CO 0.52 -0.17 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.01 1jh6 s TYR 124 N 0.66 2.93 -0.02 5.38 4.12 -1.26 -3.50 117.35 125.67 1jh6 s TYR 124 Ca -0.04 -0.93 -0.30 0.00 0.02 0.00 0.00 57.07 55.83 1jh6 s TYR 124 Cb -0.05 -2.05 0.11 0.00 -1.52 0.00 0.00 41.96 38.44 1jh6 s TYR 124 CO -0.04 -0.51 1.09 0.00 0.02 0.00 0.00 175.55 176.11 1jh6 s ALA 125 N 1.29 -1.95 -0.38 3.71 0.00 -0.71 -4.26 121.76 119.47 1jh6 s ALA 125 Ca 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 1jh6 s ALA 125 Cb -0.14 0.32 0.10 0.00 0.00 0.00 0.00 23.12 23.40 1jh6 s ALA 125 CO -0.03 -0.84 0.13 -1.21 0.00 0.00 0.00 175.76 173.81 1jh6 s GLU 126 N -2.81 1.82 0.37 0.00 2.02 -1.26 -4.02 118.70 114.82 1jh6 s GLU 126 Ca 0.10 -1.82 0.08 0.00 0.02 0.00 0.00 54.97 53.36 1jh6 s GLU 126 Cb 0.00 -3.42 -0.06 0.00 0.10 0.00 0.00 34.13 30.76 1jh6 s GLU 126 CO -0.04 -1.00 0.02 -0.51 0.02 0.00 0.00 175.26 173.75 1jh6 s LEU 127 N 1.05 2.93 0.70 1.80 1.43 -1.26 -5.12 118.68 120.21 1jh6 s LEU 127 Ca 0.09 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 1jh6 s LEU 127 Cb -0.21 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.85 1jh6 s LEU 127 CO -0.06 -0.33 1.06 0.42 0.23 0.00 0.00 176.35 177.67 1jh6 s THR 128 N -2.60 3.20 0.24 5.49 -4.23 -1.26 -4.80 115.64 111.68 1jh6 s THR 128 Ca 0.35 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1jh6 s THR 128 Cb 0.04 -3.36 0.20 0.00 1.34 0.00 0.00 72.50 70.72 1jh6 s THR 128 CO 0.19 -0.45 1.79 -0.33 -0.54 0.00 0.00 174.62 175.28 1jh6 h GLU 129 N -0.61 0.66 0.69 3.99 5.08 -2.00 0.18 114.58 122.57 1jh6 h GLU 129 Ca -0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1jh6 h GLU 129 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jh6 h GLU 129 CO 0.63 0.44 -0.35 0.93 -1.00 0.00 0.00 179.01 179.66 1jh6 h GLU 130 N 0.68 -0.91 -0.73 2.33 3.07 -1.98 0.30 114.58 117.34 1jh6 h GLU 130 Ca 0.39 0.06 0.16 0.00 -0.50 0.00 0.00 59.36 59.47 1jh6 h GLU 130 Cb 0.43 0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.50 1jh6 h GLU 130 CO -0.28 -0.61 0.49 0.93 -1.40 0.00 0.00 179.01 178.14 1jh6 h GLU 131 N -0.95 0.32 0.03 2.33 5.08 -1.80 0.17 114.58 119.75 1jh6 h GLU 131 Ca -0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1jh6 h GLU 131 Cb 0.74 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1jh6 h GLU 131 CO 0.14 0.21 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.13 1jh6 h LYS 132 N 0.33 -0.03 -0.42 2.33 3.64 -0.12 -1.65 116.57 120.64 1jh6 h LYS 132 Ca 0.36 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1jh6 h LYS 132 Cb 0.92 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1jh6 h LYS 132 CO -0.10 0.49 0.28 0.87 -2.27 0.00 0.00 179.45 178.72 1jh6 h LYS 133 N -0.57 0.36 -0.21 1.90 1.79 0.70 -1.62 116.57 118.93 1jh6 h LYS 133 Ca -0.00 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.27 1jh6 h LYS 133 Cb 0.53 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1jh6 h LYS 133 CO 0.01 0.24 -0.57 -0.91 -1.08 0.00 0.00 179.45 177.13 1jh6 h ASN 134 N 0.37 0.73 0.19 0.86 -0.26 -0.62 -2.79 115.58 114.06 1jh6 h ASN 134 Ca 0.18 -0.40 -0.13 0.00 -0.56 0.00 0.00 56.30 55.39 1jh6 h ASN 134 Cb 0.24 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1jh6 h ASN 134 CO -0.04 1.14 -0.46 0.00 -1.06 0.00 0.00 177.43 177.01 1jh6 h ALA 135 N 0.87 0.96 0.18 -0.83 0.00 -0.38 -1.65 119.26 118.41 1jh6 h ALA 135 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1jh6 h ALA 135 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1jh6 h ALA 135 CO 0.11 0.64 -0.08 0.37 0.00 0.00 0.00 179.25 180.29 1jh6 h GLN 136 N 0.27 -0.23 -0.79 0.00 4.15 -1.38 -1.18 115.11 115.95 1jh6 h GLN 136 Ca 0.02 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1jh6 h GLN 136 Cb 0.92 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.60 1jh6 h GLN 136 CO 0.08 0.04 0.47 0.93 -1.93 0.00 0.00 178.83 178.41 1jh6 h GLU 137 N -0.48 0.82 -0.55 1.69 5.08 -1.42 -1.69 114.58 118.03 1jh6 h GLU 137 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1jh6 h GLU 137 Cb 0.37 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1jh6 h GLU 137 CO 0.04 0.54 0.29 -0.22 -1.00 0.00 0.00 179.01 178.66 1jh6 h LYS 138 N 0.84 0.77 0.18 2.33 1.63 -1.11 0.56 116.57 121.77 1jh6 h LYS 138 Ca 0.35 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1jh6 h LYS 138 Cb 0.21 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1jh6 h LYS 138 CO -0.19 0.58 -0.28 0.00 -3.45 0.00 0.00 179.45 176.11 1jh6 h ALA 139 N 1.55 -0.51 -0.29 5.00 0.00 -0.25 0.87 119.26 125.62 1jh6 h ALA 139 Ca 0.20 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1jh6 h ALA 139 Cb 0.05 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1jh6 h ALA 139 CO -0.03 -0.83 0.06 1.88 0.00 0.00 0.00 179.25 180.33 1jh6 h TYR 140 N -0.53 0.10 -0.61 0.00 -1.99 -1.25 0.15 116.97 112.84 1jh6 h TYR 140 Ca 0.02 0.02 0.13 0.00 2.00 0.00 0.00 58.73 60.89 1jh6 h TYR 140 Cb 0.53 -0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.15 1jh6 h TYR 140 CO -0.22 0.03 -0.02 1.15 -0.00 0.00 0.00 178.16 179.09 1jh6 h THR 141 N 0.17 0.47 0.00 -2.88 2.02 -0.37 0.26 112.91 112.58 1jh6 h THR 141 Ca 0.13 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1jh6 h THR 141 Cb 0.14 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1jh6 h THR 141 CO -0.17 0.02 -0.35 -0.07 0.37 0.00 0.00 175.52 175.31 1jh6 h LEU 142 N 0.09 0.00 -5.99 2.58 3.38 -0.10 -3.39 115.31 111.88 1jh6 h LEU 142 Ca 0.32 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 1jh6 h LEU 142 Cb 0.51 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.02 1jh6 h LEU 142 CO -0.55 0.35 -0.58 -0.62 0.09 0.00 0.00 178.44 177.14 1jh6 s ASP 143 N -6.55 -0.34 0.27 -0.43 -1.08 0.44 -5.03 116.67 103.94 1jh6 s ASP 143 Ca -0.01 -1.39 0.24 0.00 -0.52 0.00 0.00 52.55 50.87 1jh6 s ASP 143 Cb 0.12 1.28 0.99 0.00 -1.46 0.00 0.00 42.92 43.86 1jh6 s ASP 143 CO 0.69 -0.18 1.71 -1.54 0.52 0.00 0.00 175.17 176.37 1jh6 n SER 144 N 4.00 0.68 -1.95 -0.34 3.41 0.69 -3.17 113.62 116.94 1jh6 n SER 144 Ca 0.14 0.67 -0.20 0.00 -0.26 0.00 0.00 58.87 59.22 1jh6 n SER 144 Cb 0.52 -0.81 0.17 0.00 -0.26 0.00 0.00 64.21 63.83 1jh6 n SER 144 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jh6 n SER 145 N -2.25 3.78 -0.04 4.04 3.41 -1.26 -4.57 113.62 116.72 1jh6 n SER 145 Ca 0.02 -3.68 -0.13 0.00 -0.26 0.00 0.00 58.87 54.81 1jh6 n SER 145 Cb 0.22 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1jh6 n SER 145 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jh6 h LEU 146 N 1.12 0.85 -9.50 1.04 3.38 -1.92 -3.39 115.31 106.89 1jh6 h LEU 146 Ca 0.52 -0.47 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 1jh6 h LEU 146 Cb 2.33 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 42.87 1jh6 h LEU 146 CO 0.95 1.24 1.00 -1.81 0.09 0.00 0.00 178.44 179.91 1jh6 s ASP 147 N -6.96 6.55 0.00 -0.43 -0.00 -1.26 -1.69 116.67 112.88 1jh6 s ASP 147 Ca -0.09 2.59 0.00 0.00 -0.00 0.00 0.00 52.55 55.04 1jh6 s ASP 147 Cb 0.10 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 1jh6 s ASP 147 CO 0.88 -0.90 0.00 0.61 -0.00 0.00 0.00 175.17 175.75 1jh6 n GLY 148 N 4.00 1.31 3.68 0.21 0.00 0.17 -5.01 105.19 109.55 1jh6 n GLY 148 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jh6 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jh6 s LEU 149 N 0.00 4.39 -0.10 0.99 2.96 -0.68 -4.58 118.68 121.65 1jh6 s LEU 149 Ca 0.00 2.57 -0.03 0.00 -0.22 0.00 0.00 54.13 56.45 1jh6 s LEU 149 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1jh6 s LEU 149 CO 0.00 -0.97 0.01 -0.44 -1.32 0.00 0.00 176.35 173.64 1jh6 s SER 150 N 3.17 5.32 0.05 3.68 0.01 -1.26 0.32 113.70 124.99 1jh6 s SER 150 Ca 0.79 0.15 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1jh6 s SER 150 Cb -0.41 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1jh6 s SER 150 CO 0.35 0.36 -0.04 0.72 0.41 0.00 0.00 173.24 175.03 1jh6 s PHE 151 N -0.74 0.54 -0.07 2.43 -0.12 0.02 -4.97 117.98 115.08 1jh6 s PHE 151 Ca 0.12 -0.81 -0.16 0.00 -0.05 0.00 0.00 56.93 56.03 1jh6 s PHE 151 Cb -0.12 -0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1jh6 s PHE 151 CO 0.02 -0.24 0.42 0.50 -0.05 0.00 0.00 175.22 175.87 1jh6 s ARG 152 N -2.88 4.15 -0.42 1.99 6.06 -1.26 -0.75 118.95 125.84 1jh6 s ARG 152 Ca -0.01 0.38 -0.07 0.00 -2.50 0.00 0.00 55.73 53.53 1jh6 s ARG 152 Cb -0.00 -3.34 0.09 0.00 0.06 0.00 0.00 34.95 31.76 1jh6 s ARG 152 CO -0.05 0.40 0.25 -0.51 -2.50 0.00 0.00 175.30 172.89 1jh6 s LEU 153 N -0.14 5.23 0.00 -0.88 1.43 0.30 0.81 118.68 125.42 1jh6 s LEU 153 Ca 0.23 -1.72 0.07 0.00 -1.03 0.00 0.00 54.13 51.69 1jh6 s LEU 153 Cb -0.15 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.20 1jh6 s LEU 153 CO 0.11 -0.56 0.77 -0.46 0.23 0.00 0.00 176.35 176.44 1jh6 n ASN 154 N 4.82 1.70 -4.06 2.29 2.04 -1.00 -2.20 115.26 118.84 1jh6 n ASN 154 Ca -0.08 -1.37 -0.08 0.00 -0.44 0.00 0.00 54.58 52.61 1jh6 n ASN 154 Cb 0.42 -0.02 -0.10 0.00 -2.53 0.00 0.00 39.78 37.55 1jh6 n ASN 154 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1jh6 s ARG 155 N -0.63 0.54 0.05 -3.83 0.52 -1.24 -0.20 118.95 114.15 1jh6 s ARG 155 Ca 0.09 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.31 1jh6 s ARG 155 Cb 0.06 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.68 1jh6 s ARG 155 CO 0.09 -0.09 -0.22 -0.51 0.02 0.00 0.00 175.30 174.59 1jh6 s LEU 156 N -2.56 2.18 -0.03 2.53 1.43 -0.07 -0.19 118.68 121.97 1jh6 s LEU 156 Ca 0.01 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1jh6 s LEU 156 Cb 0.03 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1jh6 s LEU 156 CO -0.08 0.18 -0.23 0.00 0.23 0.00 0.00 176.35 176.45 1jh6 s ALA 157 N -0.83 1.95 -0.29 4.21 0.00 0.19 -0.75 121.76 126.26 1jh6 s ALA 157 Ca 0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1jh6 s ALA 157 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1jh6 s ALA 157 CO 0.02 0.44 0.24 -1.17 0.00 0.00 0.00 175.76 175.29 1jh6 s LEU 158 N -0.40 4.08 -0.06 0.00 2.96 0.16 -1.12 118.68 124.31 1jh6 s LEU 158 Ca 0.05 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1jh6 s LEU 158 Cb -0.10 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1jh6 s LEU 158 CO 0.00 -0.11 -0.16 0.00 -1.32 0.00 0.00 176.35 174.77 1jh6 s LYS 160 N 0.30 4.07 -0.03 0.00 1.02 0.12 0.46 119.74 125.68 1jh6 s LYS 160 Ca -0.10 0.88 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1jh6 s LYS 160 Cb -0.14 -3.70 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1jh6 s LYS 160 CO 0.04 -0.70 -0.05 0.95 -0.92 0.00 0.00 175.35 174.66 1jh6 s THR 161 N 3.14 0.52 -0.89 2.17 -4.23 -1.19 -0.78 115.64 114.39 1jh6 s THR 161 Ca 0.38 -0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.52 1jh6 s THR 161 Cb -0.14 -0.51 0.13 0.00 1.34 0.00 0.00 72.50 73.33 1jh6 s THR 161 CO 0.11 0.19 1.07 -0.62 -0.54 0.00 0.00 174.62 174.83 1jh6 s ASP 162 N 0.48 6.60 0.09 3.99 -1.08 -1.26 -4.70 116.67 120.78 1jh6 s ASP 162 Ca -0.06 -2.02 0.03 0.00 -0.52 0.00 0.00 52.55 49.98 1jh6 s ASP 162 Cb -0.10 -2.38 0.16 0.00 -1.46 0.00 0.00 42.92 39.14 1jh6 s ASP 162 CO 0.00 -1.04 0.85 0.35 0.52 0.00 0.00 175.17 175.85 1jh6 n THR 163 N 5.38 0.78 0.65 1.71 -2.24 -1.26 0.34 114.28 119.63 1jh6 n THR 163 Ca 0.20 0.57 0.07 0.00 -2.27 0.00 0.00 64.05 62.62 1jh6 n THR 163 Cb 0.48 -1.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.10 1jh6 n THR 163 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jh6 n GLU 164 N -1.44 2.15 -2.44 -0.78 1.02 -1.26 -4.94 120.64 112.95 1jh6 n GLU 164 Ca -0.00 -0.34 -0.41 0.00 -0.02 0.00 0.00 57.16 56.38 1jh6 n GLU 164 Cb 0.32 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 1jh6 n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jh6 s ASP 165 N -2.05 6.15 0.00 1.62 2.15 0.15 -4.88 116.67 119.81 1jh6 s ASP 165 Ca 0.08 0.13 0.16 0.00 0.43 0.00 0.00 52.55 53.35 1jh6 s ASP 165 Cb 0.11 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.95 1jh6 s ASP 165 CO 0.47 -1.72 1.48 0.29 -0.17 0.00 0.00 175.17 175.53 1jh6 n LYS 166 N 8.77 0.15 0.10 4.34 5.02 -1.26 -2.03 118.16 133.25 1jh6 n LYS 166 Ca 0.10 0.16 0.09 0.00 -2.02 0.00 0.00 58.31 56.65 1jh6 n LYS 166 Cb 0.49 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1jh6 n LYS 166 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1jh6 h THR 167 N 0.00 0.11 0.00 -0.18 1.35 -1.97 -3.46 112.91 108.76 1jh6 h THR 167 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1jh6 h THR 167 Cb 0.19 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1jh6 h THR 167 CO 0.00 0.06 0.00 0.18 -0.25 0.00 0.00 175.52 175.51 1jh6 n LEU 168 N -2.75 0.43 0.22 3.87 4.77 -0.86 -4.88 117.00 117.80 1jh6 n LEU 168 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1jh6 n LEU 168 Cb 0.61 -1.17 0.51 0.00 -2.33 0.00 0.00 43.42 41.04 1jh6 n LEU 168 CO 0.40 -0.37 0.91 -0.08 -1.33 0.00 0.00 177.39 176.92 1jh6 h GLU 169 N 0.88 0.00 0.00 3.23 4.57 -1.92 -2.02 114.58 119.32 1jh6 h GLU 169 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jh6 h GLU 169 Cb 0.31 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1jh6 h GLU 169 CO 0.00 0.18 -0.35 0.25 -1.18 0.00 0.00 179.01 177.90 1jh6 n THR 170 N -4.33 0.10 -2.14 0.32 -2.24 -1.26 -4.81 114.28 99.91 1jh6 n THR 170 Ca -0.02 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1jh6 n THR 170 Cb 0.24 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 1jh6 n THR 170 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1jh6 s TRP 171 N -3.04 2.11 -0.02 4.78 0.52 -0.76 -4.46 118.94 118.08 1jh6 s TRP 171 Ca 0.11 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1jh6 s TRP 171 Cb 0.17 -4.07 0.02 0.00 -1.15 0.00 0.00 33.47 28.43 1jh6 s TRP 171 CO 0.65 -2.70 -0.01 -1.21 0.02 0.00 0.00 176.95 173.70 1jh6 s GLU 172 N 4.94 0.31 -0.14 4.98 2.02 0.04 -4.99 118.70 125.86 1jh6 s GLU 172 Ca 0.71 0.00 -0.25 0.00 0.02 0.00 0.00 54.97 55.45 1jh6 s GLU 172 Cb -0.22 -0.42 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 1jh6 s GLU 172 CO 0.31 -0.06 0.79 0.99 0.02 0.00 0.00 175.26 177.30 1jh6 s THR 173 N 0.63 4.93 -0.19 3.63 2.01 -1.26 0.10 115.64 125.50 1jh6 s THR 173 Ca -0.06 1.57 -0.16 0.00 0.31 0.00 0.00 61.69 63.34 1jh6 s THR 173 Cb -0.09 -4.11 -0.12 0.00 0.01 0.00 0.00 72.50 68.19 1jh6 s THR 173 CO -0.01 0.10 0.02 0.52 -0.69 0.00 0.00 174.62 174.55 1jh6 n VAL 174 N 4.44 1.49 -4.08 3.82 0.31 0.32 -4.95 118.33 119.68 1jh6 n VAL 174 Ca 0.03 0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.33 1jh6 n VAL 174 Cb 0.50 -2.17 -0.10 0.00 -0.91 0.00 0.00 33.84 31.16 1jh6 n VAL 174 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jh6 s ALA 175 N -2.52 0.48 0.02 3.52 0.00 -1.13 -4.98 121.76 117.15 1jh6 s ALA 175 Ca -0.24 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1jh6 s ALA 175 Cb 0.05 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1jh6 s ALA 175 CO 0.44 -0.36 -0.05 0.08 0.00 0.00 0.00 175.76 175.88 1jh6 s VAL 176 N -3.75 0.36 0.00 0.00 1.01 -1.26 0.41 120.40 117.17 1jh6 s VAL 176 Ca 0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1jh6 s VAL 176 Cb 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1jh6 s VAL 176 CO -0.09 -0.17 0.03 0.00 0.00 0.00 0.00 175.10 174.86 1jh6 s ASN 178 N -0.90 6.97 0.13 0.00 0.02 -1.26 -0.89 114.94 119.01 1jh6 s ASN 178 Ca -0.10 1.16 -0.17 0.00 -1.02 0.00 0.00 52.86 52.73 1jh6 s ASN 178 Cb -0.06 -2.40 -0.07 0.00 0.02 0.00 0.00 41.25 38.74 1jh6 s ASN 178 CO -0.00 -0.06 0.58 -0.76 0.02 0.00 0.00 177.10 176.88 1jh6 s LEU 179 N 0.57 4.41 0.34 0.60 1.43 0.72 -4.96 118.68 121.79 1jh6 s LEU 179 Ca 0.35 1.20 -0.26 0.00 -1.03 0.00 0.00 54.13 54.39 1jh6 s LEU 179 Cb -0.18 -3.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 1jh6 s LEU 179 CO 0.17 0.16 1.03 0.20 0.23 0.00 0.00 176.35 178.14 1jh6 s ASN 180 N -1.48 7.08 0.00 2.29 0.01 -1.26 -4.44 114.94 117.14 1jh6 s ASN 180 Ca 0.35 2.04 0.00 0.00 -0.71 0.00 0.00 52.86 54.54 1jh6 s ASN 180 Cb -0.17 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1jh6 s ASN 180 CO 0.19 -0.26 0.31 -2.65 -1.51 0.00 0.00 177.10 173.19