#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 -2.86 0.03 -0.58 -1.26 -4.98 120.64 110.99 1jh6 n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 1jh6 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 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 -0.50 4.14 -0.04 3.49 2.02 -1.26 -4.90 118.70 121.64 1jh6 s GLU 3 Ca 0.00 0.93 0.16 0.00 0.02 0.00 0.00 54.97 56.08 1jh6 s GLU 3 Cb 0.00 -3.67 -0.24 0.00 0.10 0.00 0.00 34.13 30.32 1jh6 s GLU 3 CO 0.00 -0.59 0.31 1.33 0.02 0.00 0.00 175.26 176.32 1jh6 n VAL 4 N 5.37 0.18 -2.69 2.63 0.24 -1.26 -4.95 118.33 117.84 1jh6 n VAL 4 Ca 0.06 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 1jh6 n VAL 4 Cb 0.47 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 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 -3.01 4.62 0.03 7.34 2.20 -1.26 -5.04 119.74 124.62 1jh6 s LYS 5 Ca -0.06 1.48 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 1jh6 s LYS 5 Cb 0.09 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1jh6 s LYS 5 CO 0.67 0.08 -0.07 0.15 -0.36 0.00 0.00 175.35 175.83 1jh6 s LYS 6 N 0.41 0.48 0.14 4.03 1.02 -1.26 -4.26 119.74 120.30 1jh6 s LYS 6 Ca 0.50 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 1jh6 s LYS 6 Cb -0.23 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 1jh6 s LYS 6 CO 0.29 0.06 0.16 -0.51 -0.92 0.00 0.00 175.35 174.44 1jh6 s ASP 7 N -1.12 0.18 -0.05 2.83 1.01 -0.37 -4.80 116.67 114.35 1jh6 s ASP 7 Ca -0.07 -1.03 -0.19 0.00 0.71 0.00 0.00 52.55 51.97 1jh6 s ASP 7 Cb -0.07 0.36 -0.05 0.00 1.01 0.00 0.00 42.92 44.17 1jh6 s ASP 7 CO 0.00 -0.80 0.53 -0.69 0.21 0.00 0.00 175.17 174.42 1jh6 s VAL 8 N -4.00 5.04 0.09 -1.27 1.01 -1.26 -0.72 120.40 119.29 1jh6 s VAL 8 Ca 0.20 1.10 0.09 0.00 0.00 0.00 0.00 61.98 63.37 1jh6 s VAL 8 Cb 0.05 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1jh6 s VAL 8 CO 0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 1jh6 s TYR 9 N 0.09 2.44 -0.04 5.22 1.51 -1.26 -3.90 117.35 121.41 1jh6 s TYR 9 Ca 0.29 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.07 1jh6 s TYR 9 Cb -0.17 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1jh6 s TYR 9 CO 0.14 0.30 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.61 1jh6 s SER 10 N -1.79 4.03 -0.15 2.29 0.01 0.27 0.53 113.70 118.89 1jh6 s SER 10 Ca 0.15 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1jh6 s SER 10 Cb -0.10 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 1jh6 s SER 10 CO 0.06 0.34 -0.10 -0.69 0.41 0.00 0.00 173.24 173.26 1jh6 s VAL 11 N -0.76 3.27 -0.04 3.43 1.01 0.30 -0.94 120.40 126.67 1jh6 s VAL 11 Ca 0.12 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1jh6 s VAL 11 Cb -0.11 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1jh6 s VAL 11 CO 0.01 0.51 -0.23 0.26 0.00 0.00 0.00 175.10 175.65 1jh6 s TRP 12 N 0.49 2.45 -0.14 5.22 0.51 -0.32 -0.48 118.94 126.67 1jh6 s TRP 12 Ca -0.07 -0.42 -0.13 0.00 -2.12 0.00 0.00 56.10 53.35 1jh6 s TRP 12 Cb -0.15 -1.56 -0.05 0.00 -0.81 0.00 0.00 33.47 30.90 1jh6 s TRP 12 CO 0.04 -0.02 0.28 0.00 -0.51 0.00 0.00 176.95 176.75 1jh6 s ALA 13 N -0.54 3.64 -0.11 0.98 0.00 -0.04 -0.28 121.76 125.40 1jh6 s ALA 13 Ca 0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1jh6 s ALA 13 Cb -0.11 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1jh6 s ALA 13 CO 0.00 0.20 -0.01 -0.51 0.00 0.00 0.00 175.76 175.44 1jh6 s LEU 14 N 0.10 3.44 0.72 0.00 1.43 0.18 -0.79 118.68 123.76 1jh6 s LEU 14 Ca 0.17 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 1jh6 s LEU 14 Cb -0.13 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1jh6 s LEU 14 CO 0.05 0.29 1.21 -2.16 0.23 0.00 0.00 176.35 175.97 1jh6 s PRO 15 N -0.36 2.22 1.00 1.29 0.04 -1.26 -2.04 135.00 135.89 1jh6 s PRO 15 Ca 0.07 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1jh6 s PRO 15 Cb -0.12 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.76 1jh6 s PRO 15 CO 0.02 -1.78 1.13 0.16 0.04 0.00 0.00 177.00 176.57 1jh6 s ASP 16 N -1.99 2.68 0.55 6.66 1.47 0.91 -4.66 116.67 122.29 1jh6 s ASP 16 Ca 0.75 0.93 0.26 0.00 1.18 0.00 0.00 52.55 55.67 1jh6 s ASP 16 Cb -0.29 -1.44 1.46 0.00 -0.34 0.00 0.00 42.92 42.31 1jh6 s ASP 16 CO 0.44 -3.06 2.00 1.05 0.68 0.00 0.00 175.17 176.28 1jh6 h GLU 17 N -1.85 0.00 0.18 2.11 4.11 -1.94 -1.29 114.58 115.89 1jh6 h GLU 17 Ca -0.51 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.61 1jh6 h GLU 17 Cb 1.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1jh6 h GLU 17 CO 0.54 0.00 -1.45 1.05 0.07 0.00 0.00 179.01 179.22 1jh6 h GLU 18 N 0.00 0.37 0.00 1.06 4.11 -1.97 -3.37 114.58 114.78 1jh6 h GLU 18 Ca 0.21 -0.63 -0.22 0.00 0.07 0.00 0.00 59.36 58.79 1jh6 h GLU 18 Cb 0.93 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1jh6 h GLU 18 CO -0.00 1.28 -1.36 0.66 0.07 0.00 0.00 179.01 179.66 1jh6 h SER 19 N 0.10 0.00 -0.58 3.06 4.64 -1.84 -3.39 113.55 115.54 1jh6 h SER 19 Ca -0.23 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1jh6 h SER 19 Cb 2.07 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.05 1jh6 h SER 19 CO 0.22 0.83 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.89 1jh6 h GLU 20 N 0.00 0.09 -0.66 4.77 4.81 -1.41 -1.17 114.58 121.01 1jh6 h GLU 20 Ca -0.17 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1jh6 h GLU 20 Cb 1.78 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.10 1jh6 h GLU 20 CO 0.08 0.06 0.44 -1.35 -0.73 0.00 0.00 179.01 177.50 1jh6 h PRO 21 N 0.09 0.75 -0.49 0.92 0.11 -1.77 0.27 132.00 131.88 1jh6 h PRO 21 Ca 0.30 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 1jh6 h PRO 21 Cb 0.48 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1jh6 h PRO 21 CO -0.52 0.50 0.14 -0.09 -0.21 0.00 0.00 178.00 177.82 1jh6 h ARG 22 N 0.77 0.77 -0.07 1.05 2.43 -1.45 -0.02 114.38 117.86 1jh6 h ARG 22 Ca 0.27 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1jh6 h ARG 22 Cb 0.10 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1jh6 h ARG 22 CO -0.08 0.73 -0.34 0.74 -1.51 0.00 0.00 179.97 179.52 1jh6 h PHE 23 N 0.66 0.48 -0.58 2.20 0.05 -0.84 -2.71 116.94 116.20 1jh6 h PHE 23 Ca 0.16 -0.21 -0.00 0.00 3.82 0.00 0.00 57.97 61.74 1jh6 h PHE 23 Cb 0.29 -0.08 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 1jh6 h PHE 23 CO 0.02 0.95 0.35 -0.22 -0.18 0.00 0.00 178.31 179.23 1jh6 h LYS 24 N -0.12 0.78 -0.29 1.51 1.63 -0.45 0.40 116.57 120.02 1jh6 h LYS 24 Ca -0.02 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.59 1jh6 h LYS 24 Cb 0.98 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1jh6 h LYS 24 CO 0.07 0.55 -0.34 0.87 -3.45 0.00 0.00 179.45 177.15 1jh6 h LYS 25 N 0.80 0.64 -0.41 1.90 1.57 -1.00 -0.96 116.57 119.12 1jh6 h LYS 25 Ca 0.21 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1jh6 h LYS 25 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1jh6 h LYS 25 CO -0.04 0.89 -0.07 1.25 -0.57 0.00 0.00 179.45 180.91 1jh6 h LEU 26 N 0.54 0.77 -0.71 2.94 5.85 -1.00 -1.63 115.31 122.07 1jh6 h LEU 26 Ca 0.06 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 1jh6 h LEU 26 Cb 0.84 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1jh6 h LEU 26 CO 0.07 0.94 0.10 0.24 -0.34 0.00 0.00 178.44 179.45 1jh6 h MET 27 N 0.59 1.09 -0.34 1.25 2.86 -0.80 -1.41 114.93 118.17 1jh6 h MET 27 Ca 0.11 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1jh6 h MET 27 Cb 0.59 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1jh6 h MET 27 CO 0.04 1.00 0.05 0.93 1.06 0.00 0.00 176.91 179.99 1jh6 h GLU 28 N 1.02 0.57 -0.42 1.72 4.39 -1.05 -1.56 114.58 119.24 1jh6 h GLU 28 Ca 0.20 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1jh6 h GLU 28 Cb 0.44 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1jh6 h GLU 28 CO 0.01 0.65 0.16 0.00 -1.16 0.00 0.00 179.01 178.67 1jh6 h ALA 29 N 0.90 0.55 -0.53 3.43 0.00 -1.14 -1.04 119.26 121.42 1jh6 h ALA 29 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1jh6 h ALA 29 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jh6 h ALA 29 CO 0.01 0.16 -0.05 -0.07 0.00 0.00 0.00 179.25 179.30 1jh6 h LEU 30 N 0.54 0.96 -0.68 0.00 3.38 -1.22 -2.23 115.31 116.07 1jh6 h LEU 30 Ca 0.14 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1jh6 h LEU 30 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jh6 h LEU 30 CO -0.01 1.06 -0.50 0.08 0.09 0.00 0.00 178.44 179.16 1jh6 h ARG 31 N 0.84 0.00 0.00 1.13 0.11 -1.22 0.15 114.38 115.39 1jh6 h ARG 31 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1jh6 h ARG 31 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1jh6 h ARG 31 CO 0.04 0.50 0.00 0.66 0.10 0.00 0.00 179.97 181.27 1jh6 h SER 32 N 0.00 0.00 0.00 0.08 4.64 -0.97 0.12 113.55 117.42 1jh6 h SER 32 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 1jh6 h SER 32 Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 1jh6 h SER 32 CO 0.06 0.00 -2.03 1.21 -0.87 0.00 0.00 176.83 175.20 1jh6 n GLU 33 N -2.65 1.49 0.00 4.77 2.13 -0.86 -4.65 120.64 120.87 1jh6 n GLU 33 Ca 0.04 -0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.91 1jh6 n GLU 33 Cb 0.41 -1.39 -0.02 0.00 0.27 0.00 0.00 31.44 30.71 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 -2.58 0.00 -1.94 4.31 3.01 0.50 -5.08 117.46 115.67 1jh6 n PHE 34 Ca -0.25 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.19 1jh6 n PHE 34 Cb 0.98 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.43 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 -0.62 -7.72 -3.74 4.37 -1.04 0.42 -5.00 114.28 100.95 1jh6 n THR 35 Ca 0.04 1.39 -0.09 0.00 -2.04 0.00 0.00 64.05 63.34 1jh6 n THR 35 Cb 0.21 -4.87 -0.03 0.00 -1.82 0.00 0.00 70.33 63.82 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 -0.31 -0.10 0.65 3.41 0.00 -1.16 -4.81 107.32 105.00 1jh6 s GLY 36 Ca -0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 1jh6 s GLY 36 CO 0.30 -0.22 1.05 2.56 0.00 0.00 0.00 173.10 176.79 1jh6 s PRO 37 N -3.88 3.25 0.30 2.90 0.04 -1.26 -4.86 135.00 131.49 1jh6 s PRO 37 Ca 0.09 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 61.90 1jh6 s PRO 37 Cb -0.02 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1jh6 s PRO 37 CO -0.01 -0.85 0.73 -0.98 0.04 0.00 0.00 177.00 175.93 1jh6 s ARG 38 N -4.89 4.06 0.23 4.56 1.70 -1.26 -4.80 118.95 118.55 1jh6 s ARG 38 Ca 0.58 0.71 -0.23 0.00 -0.47 0.00 0.00 55.73 56.33 1jh6 s ARG 38 Cb -0.13 -2.53 0.04 0.00 -0.57 0.00 0.00 34.95 31.76 1jh6 s ARG 38 CO 0.51 0.21 0.83 -0.59 -1.08 0.00 0.00 175.30 175.18 1jh6 s PHE 39 N -1.89 -0.15 0.10 5.89 -0.71 -1.26 -5.05 117.98 114.93 1jh6 s PHE 39 Ca 0.52 -0.26 -0.07 0.00 -1.04 0.00 0.00 56.93 56.08 1jh6 s PHE 39 Cb -0.12 0.68 -0.06 0.00 -1.21 0.00 0.00 43.02 42.32 1jh6 s PHE 39 CO 0.18 -1.07 0.39 0.14 -1.34 0.00 0.00 175.22 173.52 1jh6 s VAL 40 N -3.55 5.13 0.27 -2.49 -7.23 -1.26 -5.04 120.40 106.24 1jh6 s VAL 40 Ca 0.12 0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 1jh6 s VAL 40 Cb -0.04 -3.63 -0.11 0.00 0.56 0.00 0.00 36.38 33.16 1jh6 s VAL 40 CO 0.05 0.18 1.59 -2.16 -0.31 0.00 0.00 175.10 174.45 1jh6 s PRO 41 N -2.24 4.14 0.12 4.82 0.04 -1.26 -4.97 135.00 135.67 1jh6 s PRO 41 Ca 0.36 2.54 -0.24 0.00 0.04 0.00 0.00 61.00 63.70 1jh6 s PRO 41 Cb -0.13 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.43 1jh6 s PRO 41 CO 0.21 -0.62 0.61 -3.38 0.04 0.00 0.00 177.00 173.85 1jh6 s HIS 42 N 0.20 -0.55 -0.31 0.56 -3.43 -1.26 -4.51 115.29 105.98 1jh6 s HIS 42 Ca 0.65 0.44 0.03 0.00 -0.80 0.00 0.00 55.06 55.38 1jh6 s HIS 42 Cb -0.47 0.53 0.09 0.00 -1.43 0.00 0.00 32.58 31.29 1jh6 s HIS 42 CO 0.45 -0.81 0.01 0.08 -2.00 0.00 0.00 174.74 172.47 1jh6 s VAL 43 N -3.34 2.16 0.26 -5.38 1.01 0.03 -4.16 120.40 110.98 1jh6 s VAL 43 Ca -0.01 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.58 1jh6 s VAL 43 Cb -0.01 -2.51 -0.11 0.00 0.00 0.00 0.00 36.38 33.75 1jh6 s VAL 43 CO -0.09 -0.44 1.58 -0.89 0.00 0.00 0.00 175.10 175.26 1jh6 s THR 44 N 1.00 2.23 -0.06 3.92 2.01 -1.26 -0.86 115.64 122.62 1jh6 s THR 44 Ca 0.05 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1jh6 s THR 44 Cb -0.19 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1jh6 s THR 44 CO -0.08 0.03 0.06 1.33 -0.69 0.00 0.00 174.62 175.27 1jh6 n VAL 45 N 2.64 0.00 -3.58 3.82 0.24 0.36 -4.86 118.33 116.94 1jh6 n VAL 45 Ca 0.10 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 1jh6 n VAL 45 Cb 0.38 0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 33.54 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 -1.45 -1.96 -0.15 2.33 0.00 -1.11 -4.27 121.76 115.15 1jh6 s ALA 46 Ca 0.00 1.59 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1jh6 s ALA 46 Cb 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.46 1jh6 s ALA 46 CO 0.07 -0.34 0.03 0.08 0.00 0.00 0.00 175.76 175.59 1jh6 s VAL 47 N -1.33 0.42 0.90 0.00 1.01 -1.26 0.11 120.40 120.25 1jh6 s VAL 47 Ca 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1jh6 s VAL 47 Cb -0.01 -0.83 0.14 0.00 0.00 0.00 0.00 36.38 35.68 1jh6 s VAL 47 CO -0.01 -0.06 1.19 -0.94 0.00 0.00 0.00 175.10 175.28 1jh6 s SER 48 N 1.92 3.65 0.39 3.32 1.04 0.19 -4.88 113.70 119.32 1jh6 s SER 48 Ca 0.01 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1jh6 s SER 48 Cb -0.15 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 64.86 1jh6 s SER 48 CO -0.07 -2.44 0.09 0.00 0.98 0.00 0.00 173.24 171.79 1jh6 n ALA 49 N -3.65 0.02 -1.84 5.32 0.00 -1.26 -4.21 120.51 114.89 1jh6 n ALA 49 Ca 0.09 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1jh6 n ALA 49 Cb 0.60 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.00 1.90 0.06 0.00 1.51 -1.26 -4.38 117.35 115.19 1jh6 s TYR 50 Ca 0.06 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.15 1jh6 s TYR 50 Cb -0.00 -4.07 -0.03 0.00 -0.11 0.00 0.00 41.96 37.75 1jh6 s TYR 50 CO 0.04 -4.54 -0.13 -0.51 -1.11 0.00 0.00 175.55 169.29 1jh6 s LEU 51 N 3.61 2.26 0.66 -1.29 1.43 0.10 -4.80 118.68 120.66 1jh6 s LEU 51 Ca 0.79 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1jh6 s LEU 51 Cb -0.40 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1jh6 s LEU 51 CO 0.35 -0.08 1.06 0.42 0.23 0.00 0.00 176.35 178.33 1jh6 s THR 52 N -1.24 4.17 0.23 5.49 -4.23 -1.26 -1.24 115.64 117.57 1jh6 s THR 52 Ca -0.03 0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1jh6 s THR 52 Cb -0.10 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.27 1jh6 s THR 52 CO 0.02 -0.92 1.76 0.00 -0.54 0.00 0.00 174.62 174.94 1jh6 h ALA 53 N -0.51 0.98 -0.42 3.99 0.00 -1.97 0.21 119.26 121.55 1jh6 h ALA 53 Ca -0.44 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1jh6 h ALA 53 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jh6 h ALA 53 CO 0.62 -0.11 -0.04 0.22 0.00 0.00 0.00 179.25 179.93 1jh6 h ASP 54 N 0.53 0.68 -0.33 0.00 -0.00 -1.94 -0.66 116.42 114.70 1jh6 h ASP 54 Ca 0.36 -0.17 -0.14 0.00 -0.00 0.00 0.00 57.03 57.09 1jh6 h ASP 54 Cb 0.45 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.59 1jh6 h ASP 54 CO -0.31 0.77 -0.34 -0.33 -0.00 0.00 0.00 179.24 179.03 1jh6 h GLU 55 N 0.65 0.82 -0.28 0.28 5.08 -1.39 -2.48 114.58 117.26 1jh6 h GLU 55 Ca 0.13 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 1jh6 h GLU 55 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1jh6 h GLU 55 CO 0.02 1.07 -0.25 0.00 -1.00 0.00 0.00 179.01 178.85 1jh6 h ALA 56 N 0.73 1.04 0.08 3.43 0.00 -0.39 -2.68 119.26 121.47 1jh6 h ALA 56 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jh6 h ALA 56 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jh6 h ALA 56 CO 0.08 0.58 -0.04 -0.22 0.00 0.00 0.00 179.25 179.65 1jh6 h LYS 57 N 0.48 -0.10 -0.73 0.00 3.64 -0.99 -0.52 116.57 118.34 1jh6 h LYS 57 Ca 0.07 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1jh6 h LYS 57 Cb 0.69 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1jh6 h LYS 57 CO 0.05 0.06 0.44 0.87 -2.27 0.00 0.00 179.45 178.61 1jh6 h LYS 58 N -0.25 0.81 -0.35 1.90 1.57 -1.40 -0.33 116.57 118.52 1jh6 h LYS 58 Ca -0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1jh6 h LYS 58 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1jh6 h LYS 58 CO 0.02 0.54 -0.14 0.52 -0.57 0.00 0.00 179.45 179.82 1jh6 h MET 59 N 0.84 0.62 0.10 3.15 2.86 -1.33 -1.59 114.93 119.58 1jh6 h MET 59 Ca 0.31 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1jh6 h MET 59 Cb 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jh6 h MET 59 CO -0.14 0.74 -0.05 0.35 1.06 0.00 0.00 176.91 178.87 1jh6 h PHE 60 N 0.57 -0.12 -0.79 -0.22 -0.00 -0.36 0.06 116.94 116.07 1jh6 h PHE 60 Ca 0.10 -0.00 0.12 0.00 -0.00 0.00 0.00 57.97 58.18 1jh6 h PHE 60 Cb 0.56 0.04 -0.08 0.00 -0.00 0.00 0.00 35.95 36.47 1jh6 h PHE 60 CO 0.02 0.25 0.40 0.93 -0.00 0.00 0.00 178.31 179.92 1jh6 h GLU 61 N -0.53 0.62 -0.25 1.11 5.08 -1.04 0.47 114.58 120.04 1jh6 h GLU 61 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jh6 h GLU 61 Cb 0.43 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1jh6 h GLU 61 CO 0.02 0.41 0.15 1.03 -1.00 0.00 0.00 179.01 179.62 1jh6 h SER 62 N 0.63 0.29 -0.30 1.42 0.87 -1.16 -1.40 113.55 113.91 1jh6 h SER 62 Ca 0.41 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 1jh6 h SER 62 Cb 0.49 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1jh6 h SER 62 CO -0.31 0.25 -0.13 0.00 -0.53 0.00 0.00 176.83 176.11 1jh6 h ALA 63 N 1.06 1.01 0.00 6.23 0.00 0.32 -2.38 119.26 125.50 1jh6 h ALA 63 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1jh6 h ALA 63 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jh6 h ALA 63 CO -0.02 0.59 -0.26 0.00 0.00 0.00 0.00 179.25 179.56 1jh6 h ASP 65 N 0.00 0.04 0.52 0.00 3.32 -1.08 -3.35 116.42 115.87 1jh6 h ASP 65 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1jh6 h ASP 65 Cb 0.49 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1jh6 h ASP 65 CO 0.03 1.07 -0.22 0.61 -1.72 0.00 0.00 179.24 179.01 1jh6 n GLY 66 N 1.55 -1.11 3.55 2.75 0.00 -0.91 -4.84 105.19 106.18 1jh6 n GLY 66 Ca -0.15 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.74 3.49 0.11 0.99 2.96 -0.86 -5.09 118.68 117.55 1jh6 s LEU 67 Ca 0.20 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1jh6 s LEU 67 Cb 0.19 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1jh6 s LEU 67 CO 0.56 0.17 0.22 -0.54 -1.32 0.00 0.00 176.35 175.44 1jh6 s LYS 68 N 0.40 3.32 0.43 1.98 -0.14 -1.26 -3.80 119.74 120.68 1jh6 s LYS 68 Ca -0.01 -0.59 -0.25 0.00 -1.36 0.00 0.00 55.97 53.77 1jh6 s LYS 68 Cb -0.13 -2.93 -0.10 0.00 -1.68 0.00 0.00 37.83 32.99 1jh6 s LYS 68 CO 0.02 0.55 1.18 0.00 -0.76 0.00 0.00 175.35 176.34 1jh6 n ALA 69 N -0.14 0.90 -2.29 5.17 0.00 0.11 -4.89 120.51 119.36 1jh6 n ALA 69 Ca -0.07 0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1jh6 n ALA 69 Cb 0.53 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 1jh6 n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jh6 s TYR 70 N -1.23 1.73 0.03 0.00 -0.85 -0.93 -4.89 117.35 111.20 1jh6 s TYR 70 Ca 0.63 -1.63 0.06 0.00 -0.52 0.00 0.00 57.07 55.61 1jh6 s TYR 70 Cb -0.52 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.07 1jh6 s TYR 70 CO 0.57 -0.83 -0.19 0.95 -1.52 0.00 0.00 175.55 174.54 1jh6 s THR 71 N -3.48 1.48 0.18 -3.49 -4.23 -1.26 -0.69 115.64 104.14 1jh6 s THR 71 Ca 0.40 -1.03 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1jh6 s THR 71 Cb 0.03 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1jh6 s THR 71 CO 0.26 0.23 -0.10 0.00 -0.54 0.00 0.00 174.62 174.46 1jh6 s ALA 72 N -0.69 2.92 -0.06 3.99 0.00 -0.36 -4.56 121.76 123.00 1jh6 s ALA 72 Ca 0.06 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1jh6 s ALA 72 Cb -0.08 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1jh6 s ALA 72 CO 0.01 0.48 -0.12 0.99 0.00 0.00 0.00 175.76 177.11 1jh6 s THR 73 N -1.67 1.13 0.01 0.00 2.01 -1.26 -0.87 115.64 114.99 1jh6 s THR 73 Ca 0.24 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1jh6 s THR 73 Cb -0.09 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1jh6 s THR 73 CO 0.15 0.35 1.18 -0.69 -0.69 0.00 0.00 174.62 174.92 1jh6 s VAL 74 N 0.52 4.20 -0.11 3.82 1.01 0.15 -0.06 120.40 129.92 1jh6 s VAL 74 Ca -0.12 1.56 -0.05 0.00 0.00 0.00 0.00 61.98 63.37 1jh6 s VAL 74 Cb -0.14 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1jh6 s VAL 74 CO 0.03 0.07 0.12 -0.78 0.00 0.00 0.00 175.10 174.54 1jh6 h ASP 75 N 7.09 0.00 -5.52 3.32 3.58 -0.41 0.28 116.42 124.76 1jh6 h ASP 75 Ca -0.38 -0.16 0.23 0.00 0.42 0.00 0.00 57.03 57.13 1jh6 h ASP 75 Cb 1.19 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.17 1jh6 h ASP 75 CO 0.84 0.60 0.65 0.00 -2.88 0.00 0.00 179.24 178.44 1jh6 s ARG 76 N -1.69 0.96 -0.16 0.28 1.70 -1.18 -4.11 118.95 114.75 1jh6 s ARG 76 Ca -0.04 -0.58 -0.25 0.00 -0.47 0.00 0.00 55.73 54.39 1jh6 s ARG 76 Cb -0.00 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1jh6 s ARG 76 CO 0.12 -0.45 0.83 0.08 -1.08 0.00 0.00 175.30 174.81 1jh6 s VAL 77 N -2.56 4.89 0.39 4.99 1.01 -1.26 -0.86 120.40 127.00 1jh6 s VAL 77 Ca 0.18 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.84 1jh6 s VAL 77 Cb -0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1jh6 s VAL 77 CO 0.02 0.04 0.03 -0.55 0.00 0.00 0.00 175.10 174.63 1jh6 s SER 78 N 1.14 3.44 0.12 3.32 0.15 0.93 -4.92 113.70 117.88 1jh6 s SER 78 Ca 0.38 -1.40 0.07 0.00 0.70 0.00 0.00 55.95 55.70 1jh6 s SER 78 Cb -0.17 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 1jh6 s SER 78 CO 0.13 -0.54 -0.16 0.42 1.20 0.00 0.00 173.24 174.29 1jh6 s THR 79 N -2.90 1.46 0.00 6.45 -4.23 -1.26 -1.16 115.64 114.00 1jh6 s THR 79 Ca 0.33 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1jh6 s THR 79 Cb 0.09 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.39 1jh6 s THR 79 CO 0.16 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1jh6 n GLY 80 N 0.66 4.94 0.79 3.99 0.00 -0.04 -4.97 105.19 110.56 1jh6 n GLY 80 Ca -0.16 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.76 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 0.00 1.02 -3.97 2.61 -2.24 -1.12 -4.68 114.28 105.90 1jh6 n THR 81 Ca 0.00 -1.01 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1jh6 n THR 81 Cb 0.00 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.03 0.61 0.24 4.78 -0.71 -1.24 -5.04 117.98 115.59 1jh6 s PHE 82 Ca 0.29 -1.02 -0.11 0.00 -1.04 0.00 0.00 56.93 55.04 1jh6 s PHE 82 Cb 0.15 0.29 0.32 0.00 -1.21 0.00 0.00 43.02 42.58 1jh6 s PHE 82 CO 0.19 -1.27 1.60 0.35 -1.34 0.00 0.00 175.22 174.75 1jh6 h PHE 83 N 2.08 -0.40 -0.00 3.49 3.04 -1.96 -0.78 116.94 122.41 1jh6 h PHE 83 Ca -0.29 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1jh6 h PHE 83 Cb 1.24 0.30 0.00 0.00 2.56 0.00 0.00 35.95 40.05 1jh6 h PHE 83 CO 1.28 -0.33 -0.13 1.19 -2.02 0.00 0.00 178.31 178.30 1jh6 n PHE 84 N -5.50 0.00 -3.29 0.41 3.01 -1.26 -2.39 117.46 108.44 1jh6 n PHE 84 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 1jh6 n PHE 84 Cb 0.39 -0.39 -0.07 0.00 -0.01 0.00 0.00 39.48 39.41 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 -1.42 2.19 0.00 -1.08 6.02 -0.31 -4.88 117.38 117.90 1jh6 n GLN 85 Ca 0.08 -4.34 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 1jh6 n GLN 85 Cb 0.32 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.71 0.99 0.16 0.00 1.01 -1.21 -1.72 120.40 118.92 1jh6 s VAL 87 Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1jh6 s VAL 87 Cb 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1jh6 s VAL 87 CO 0.00 0.33 0.46 0.72 0.00 0.00 0.00 175.10 176.61 1jh6 s PHE 88 N 0.89 -0.12 -0.38 5.22 -0.71 -0.31 -0.66 117.98 121.91 1jh6 s PHE 88 Ca -0.11 -0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.35 1jh6 s PHE 88 Cb -0.15 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1jh6 s PHE 88 CO 0.01 -0.81 0.75 -0.51 -1.34 0.00 0.00 175.22 173.32 1jh6 s LEU 89 N -2.85 4.19 -0.21 -1.99 1.43 0.83 -0.05 118.68 120.03 1jh6 s LEU 89 Ca 0.07 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.08 1jh6 s LEU 89 Cb 0.00 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1jh6 s LEU 89 CO -0.07 -0.75 0.99 -0.22 0.23 0.00 0.00 176.35 176.54 1jh6 s LEU 90 N 3.06 4.12 0.21 1.79 2.96 -0.04 -1.08 118.68 129.70 1jh6 s LEU 90 Ca 0.29 1.34 -0.08 0.00 -0.22 0.00 0.00 54.13 55.47 1jh6 s LEU 90 Cb -0.13 -3.47 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 1jh6 s LEU 90 CO 0.18 -0.60 0.50 -0.76 -1.32 0.00 0.00 176.35 174.35 1jh6 s LEU 91 N 2.90 4.19 0.34 -0.68 1.43 -0.67 0.33 118.68 126.52 1jh6 s LEU 91 Ca 0.43 0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 54.05 1jh6 s LEU 91 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.40 1jh6 s LEU 91 CO 0.08 -0.05 1.33 -1.10 0.23 0.00 0.00 176.35 176.85 1jh6 s GLN 92 N -2.83 4.29 -1.48 1.70 -1.52 0.91 -4.73 119.66 115.99 1jh6 s GLN 92 Ca 0.45 2.26 -0.10 0.00 -1.95 0.00 0.00 55.36 56.02 1jh6 s GLN 92 Cb -0.11 -3.03 0.02 0.00 -0.22 0.00 0.00 33.01 29.66 1jh6 s GLN 92 CO 0.23 -0.26 2.54 0.25 -0.25 0.00 0.00 175.29 177.80 1jh6 n THR 93 N 0.69 4.31 -1.82 -0.19 -2.24 -1.26 -4.73 114.28 109.04 1jh6 n THR 93 Ca 0.00 -3.26 -0.31 0.00 -2.27 0.00 0.00 64.05 58.22 1jh6 n THR 93 Cb 0.42 -2.47 0.03 0.00 -2.10 0.00 0.00 70.33 66.20 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 1.52 4.20 0.16 4.28 -4.23 -1.26 -4.82 115.64 115.48 1jh6 s THR 94 Ca 0.58 0.71 -0.17 0.00 -1.18 0.00 0.00 61.69 61.63 1jh6 s THR 94 Cb 0.16 -3.66 0.07 0.00 1.34 0.00 0.00 72.50 70.41 1jh6 s THR 94 CO -0.07 -0.93 1.68 -0.65 -0.54 0.00 0.00 174.62 174.11 1jh6 h PRO 95 N -0.50 0.03 -0.38 3.99 0.11 -1.98 0.98 132.00 134.24 1jh6 h PRO 95 Ca -0.44 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1jh6 h PRO 95 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1jh6 h PRO 95 CO 0.62 0.02 0.11 0.93 -0.21 0.00 0.00 178.00 179.46 1jh6 h GLU 96 N 0.03 0.24 -0.15 1.05 3.07 -1.94 0.24 114.58 117.12 1jh6 h GLU 96 Ca 0.18 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1jh6 h GLU 96 Cb 0.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1jh6 h GLU 96 CO -0.35 0.16 -0.12 0.28 -1.40 0.00 0.00 179.01 177.57 1jh6 h VAL 97 N 0.25 1.33 -0.45 3.13 2.07 -1.67 -2.57 116.25 118.34 1jh6 h VAL 97 Ca 0.18 -1.25 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 1jh6 h VAL 97 Cb 0.18 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1jh6 h VAL 97 CO -0.21 0.37 -0.28 0.24 0.02 0.00 0.00 177.57 177.71 1jh6 h MET 98 N -0.00 0.98 0.00 1.57 2.86 -0.70 -3.03 114.93 116.60 1jh6 h MET 98 Ca 0.03 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1jh6 h MET 98 Cb 0.64 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1jh6 h MET 98 CO 0.03 1.12 -0.05 0.93 1.06 0.00 0.00 176.91 180.00 1jh6 h GLU 99 N 0.83 0.00 -0.34 1.72 5.08 -0.55 -1.48 114.58 119.83 1jh6 h GLU 99 Ca 0.09 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1jh6 h GLU 99 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1jh6 h GLU 99 CO 0.08 0.05 -0.40 0.00 -1.00 0.00 0.00 179.01 177.74 1jh6 h ALA 100 N 1.95 0.50 -0.12 3.43 0.00 -1.33 -0.31 119.26 123.37 1jh6 h ALA 100 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1jh6 h ALA 100 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jh6 h ALA 100 CO 0.01 0.61 -0.18 0.78 0.00 0.00 0.00 179.25 180.47 1jh6 h GLY 101 N 0.66 0.37 0.92 0.00 0.00 -1.48 -0.01 103.07 103.52 1jh6 h GLY 101 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1jh6 h GLY 101 CO 0.10 0.37 0.02 -2.09 0.00 0.00 0.00 176.54 174.93 1jh6 h GLU 102 N -0.07 0.06 0.00 4.80 4.81 -1.30 0.27 114.58 123.15 1jh6 h GLU 102 Ca 0.01 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1jh6 h GLU 102 Cb 0.74 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1jh6 h GLU 102 CO 0.04 0.04 -0.30 0.45 -0.73 0.00 0.00 179.01 178.51 1jh6 h HIS 103 N 0.06 0.00 0.04 0.92 3.86 -1.08 -0.34 115.15 118.61 1jh6 h HIS 103 Ca 0.04 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1jh6 h HIS 103 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1jh6 h HIS 103 CO -0.10 0.30 -1.00 0.00 0.86 0.00 0.00 177.93 177.98 1jh6 h LYS 105 N 0.08 0.00 0.35 0.00 1.57 0.05 -2.69 116.57 115.93 1jh6 h LYS 105 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1jh6 h LYS 105 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.00 1jh6 h LYS 105 CO 0.15 0.35 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.30 1jh6 h ASN 106 N 0.00 -0.39 -0.41 0.86 -0.26 -0.98 0.29 115.58 114.69 1jh6 h ASN 106 Ca -0.00 -0.16 0.12 0.00 -0.56 0.00 0.00 56.30 55.70 1jh6 h ASN 106 Cb 0.89 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 1jh6 h ASN 106 CO 0.04 0.03 0.42 0.45 -1.06 0.00 0.00 177.43 177.31 1jh6 h HIS 107 N -0.91 0.00 -0.32 1.19 3.86 -1.40 -0.45 115.15 117.13 1jh6 h HIS 107 Ca -0.05 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1jh6 h HIS 107 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1jh6 h HIS 107 CO 0.03 0.00 0.01 1.19 0.86 0.00 0.00 177.93 180.02 1jh6 n PHE 108 N -3.80 1.13 -3.96 2.45 3.01 -1.02 -4.76 117.46 110.52 1jh6 n PHE 108 Ca 0.07 -0.95 -0.26 0.00 1.01 0.00 0.00 57.45 57.32 1jh6 n PHE 108 Cb 0.60 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 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 -0.46 -4.50 4.37 5.03 -0.18 -4.58 115.26 114.48 1jh6 n ASN 109 Ca 0.24 -1.02 -0.33 0.00 0.87 0.00 0.00 54.58 54.34 1jh6 n ASN 109 Cb 0.96 -2.99 -0.12 0.00 -1.02 0.00 0.00 39.78 36.61 1jh6 n ASN 109 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jh6 s SER 111 N -0.49 5.34 -0.48 0.00 1.04 -1.26 -4.29 113.70 113.56 1jh6 s SER 111 Ca 0.07 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.30 1jh6 s SER 111 Cb -0.12 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.73 1jh6 s SER 111 CO 0.02 -1.47 0.57 0.41 0.98 0.00 0.00 173.24 173.75 1jh6 n THR 112 N -2.83 0.29 -0.07 2.02 -1.04 -1.26 -4.68 114.28 106.72 1jh6 n THR 112 Ca 0.08 -4.36 0.00 0.00 -2.04 0.00 0.00 64.05 57.73 1jh6 n THR 112 Cb 0.53 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1jh6 n THR 112 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1jh6 n THR 113 N 1.40 0.00 -3.44 12.58 -1.04 -1.26 -5.03 114.28 117.49 1jh6 n THR 113 Ca 0.24 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 1jh6 n THR 113 Cb 0.48 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 70.00 1jh6 n THR 113 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jh6 s THR 114 N -0.51 4.95 0.05 12.58 2.01 -1.26 -5.03 115.64 128.44 1jh6 s THR 114 Ca 0.00 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 1jh6 s THR 114 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1jh6 s THR 114 CO 0.00 0.57 1.69 -2.16 -0.69 0.00 0.00 174.62 174.03 1jh6 s PRO 115 N -1.08 4.19 -0.23 4.92 0.04 -1.26 -4.96 135.00 136.62 1jh6 s PRO 115 Ca 0.25 2.35 -0.20 0.00 0.04 0.00 0.00 61.00 63.44 1jh6 s PRO 115 Cb -0.17 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 1jh6 s PRO 115 CO 0.15 -0.78 0.62 -0.47 0.04 0.00 0.00 177.00 176.56 1jh6 s TYR 116 N 3.01 3.33 -0.53 0.56 5.04 -1.26 -5.00 117.35 122.49 1jh6 s TYR 116 Ca 0.75 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1jh6 s TYR 116 Cb -0.39 -2.81 0.14 0.00 0.35 0.00 0.00 41.96 39.24 1jh6 s TYR 116 CO 0.33 -0.25 0.30 1.41 -1.34 0.00 0.00 175.55 176.00 1jh6 s MET 117 N 2.20 2.17 0.15 4.97 -2.45 -1.26 -5.07 119.30 120.01 1jh6 s MET 117 Ca 0.27 -2.39 -0.31 0.00 -1.25 0.00 0.00 55.69 52.01 1jh6 s MET 117 Cb -0.16 -3.52 -0.10 0.00 1.25 0.00 0.00 34.83 32.30 1jh6 s MET 117 CO 0.09 -1.11 1.65 -1.25 1.05 0.00 0.00 175.02 175.45 1jh6 s PRO 118 N 0.15 4.18 0.11 4.11 0.04 -1.26 -4.98 135.00 137.35 1jh6 s PRO 118 Ca 0.15 2.43 -0.18 0.00 0.04 0.00 0.00 61.00 63.44 1jh6 s PRO 118 Cb -0.22 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.06 1jh6 s PRO 118 CO -0.03 -0.70 0.45 -3.38 0.04 0.00 0.00 177.00 173.39 1jh6 s HIS 119 N 1.70 -0.30 -0.32 0.56 -3.43 -1.26 -1.68 115.29 110.56 1jh6 s HIS 119 Ca 0.73 0.08 0.03 0.00 -0.80 0.00 0.00 55.06 55.10 1jh6 s HIS 119 Cb -0.44 0.32 0.09 0.00 -1.43 0.00 0.00 32.58 31.11 1jh6 s HIS 119 CO 0.32 -0.71 0.01 -1.17 -2.00 0.00 0.00 174.74 171.20 1jh6 s LEU 120 N -2.60 4.37 0.29 5.38 0.20 -0.24 -4.33 118.68 121.74 1jh6 s LEU 120 Ca 0.01 -1.87 -0.29 0.00 0.69 0.00 0.00 54.13 52.66 1jh6 s LEU 120 Cb 0.01 -1.63 -0.10 0.00 -0.43 0.00 0.00 46.19 44.04 1jh6 s LEU 120 CO -0.10 -0.33 1.38 -0.44 -0.29 0.00 0.00 176.35 176.58 1jh6 s SER 121 N 1.06 6.69 -0.04 3.68 0.01 -1.26 -0.12 113.70 123.73 1jh6 s SER 121 Ca 0.04 2.68 0.13 0.00 1.31 0.00 0.00 55.95 60.11 1jh6 s SER 121 Cb -0.20 -2.64 -0.19 0.00 0.21 0.00 0.00 66.02 63.21 1jh6 s SER 121 CO -0.06 -0.64 0.24 0.18 0.41 0.00 0.00 173.24 173.37 1jh6 n LEU 122 N 1.64 0.00 -3.71 2.44 4.77 0.16 -4.78 117.00 117.52 1jh6 n LEU 122 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1jh6 n LEU 122 Cb 0.41 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1jh6 n LEU 122 CO 0.60 0.05 0.14 -0.22 -1.33 0.00 0.00 177.39 176.63 1jh6 s LEU 123 N -4.08 0.18 -0.22 2.23 2.96 -0.78 -4.44 118.68 114.53 1jh6 s LEU 123 Ca -0.05 0.94 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1jh6 s LEU 123 Cb 0.07 1.59 0.03 0.00 0.50 0.00 0.00 46.19 48.38 1jh6 s LEU 123 CO 0.53 -0.17 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.96 1jh6 s TYR 124 N 0.35 2.98 0.11 5.38 4.12 -1.26 -3.34 117.35 125.69 1jh6 s TYR 124 Ca -0.01 -1.72 -0.26 0.00 0.02 0.00 0.00 57.07 55.10 1jh6 s TYR 124 Cb -0.04 -1.97 0.08 0.00 -1.52 0.00 0.00 41.96 38.50 1jh6 s TYR 124 CO -0.01 -0.78 0.89 0.00 0.02 0.00 0.00 175.55 175.67 1jh6 s ALA 125 N 1.27 -1.68 -0.38 3.71 0.00 -1.01 -4.26 121.76 119.41 1jh6 s ALA 125 Ca 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1jh6 s ALA 125 Cb -0.16 0.59 0.10 0.00 0.00 0.00 0.00 23.12 23.66 1jh6 s ALA 125 CO -0.08 -0.90 0.14 -1.21 0.00 0.00 0.00 175.76 173.71 1jh6 s GLU 126 N -3.30 1.88 0.30 0.00 2.02 -1.26 -4.20 118.70 114.14 1jh6 s GLU 126 Ca 0.09 -1.78 0.10 0.00 0.02 0.00 0.00 54.97 53.39 1jh6 s GLU 126 Cb -0.01 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 1jh6 s GLU 126 CO -0.03 -0.99 -0.06 -0.51 0.02 0.00 0.00 175.26 173.70 1jh6 s LEU 127 N 1.08 2.91 0.82 1.80 1.43 -1.26 -5.12 118.68 120.34 1jh6 s LEU 127 Ca 0.08 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1jh6 s LEU 127 Cb -0.21 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1jh6 s LEU 127 CO -0.05 -0.09 1.09 0.42 0.23 0.00 0.00 176.35 177.95 1jh6 s THR 128 N -2.47 3.08 0.24 5.49 -4.23 -1.26 -4.76 115.64 111.73 1jh6 s THR 128 Ca 0.32 0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 1jh6 s THR 128 Cb -0.03 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.15 1jh6 s THR 128 CO 0.18 -0.46 1.85 -0.33 -0.54 0.00 0.00 174.62 175.33 1jh6 h GLU 129 N -1.28 0.95 -0.58 3.99 4.39 -2.00 -0.16 114.58 119.89 1jh6 h GLU 129 Ca -0.46 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.29 1jh6 h GLU 129 Cb 1.25 -0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.61 1jh6 h GLU 129 CO 0.53 0.63 0.13 1.49 -1.16 0.00 0.00 179.01 180.63 1jh6 h GLU 130 N 0.97 0.26 -0.02 2.33 4.57 -2.00 -1.99 114.58 118.70 1jh6 h GLU 130 Ca 0.36 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.33 1jh6 h GLU 130 Cb 0.14 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1jh6 h GLU 130 CO -0.16 0.17 -0.84 0.93 -1.18 0.00 0.00 179.01 177.92 1jh6 h GLU 131 N 0.27 0.29 -0.67 1.92 4.39 -1.63 -2.68 114.58 116.46 1jh6 h GLU 131 Ca 0.30 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1jh6 h GLU 131 Cb 0.43 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1jh6 h GLU 131 CO -0.38 0.98 0.42 0.87 -1.16 0.00 0.00 179.01 179.74 1jh6 h LYS 132 N 0.18 0.80 -0.25 2.33 1.57 -0.41 0.43 116.57 121.22 1jh6 h LYS 132 Ca -0.05 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1jh6 h LYS 132 Cb 1.45 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1jh6 h LYS 132 CO 0.14 0.53 -0.37 0.87 -0.57 0.00 0.00 179.45 180.05 1jh6 h LYS 133 N 0.83 0.56 -0.59 3.15 1.79 -1.38 -0.43 116.57 120.51 1jh6 h LYS 133 Ca 0.27 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1jh6 h LYS 133 Cb 0.01 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1jh6 h LYS 133 CO -0.10 0.85 0.16 -0.91 -1.08 0.00 0.00 179.45 178.36 1jh6 h ASN 134 N 0.47 0.88 -0.58 0.86 -0.26 -0.99 -0.72 115.58 115.25 1jh6 h ASN 134 Ca 0.05 -0.22 -0.11 0.00 -0.56 0.00 0.00 56.30 55.46 1jh6 h ASN 134 Cb 0.85 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 1jh6 h ASN 134 CO 0.07 0.88 -0.06 0.00 -1.06 0.00 0.00 177.43 177.26 1jh6 h ALA 135 N 1.04 0.78 -0.02 -0.83 0.00 -0.77 0.63 119.26 120.09 1jh6 h ALA 135 Ca 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jh6 h ALA 135 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jh6 h ALA 135 CO -0.00 0.67 -0.03 0.37 0.00 0.00 0.00 179.25 180.25 1jh6 h GLN 136 N 0.95 -0.05 -0.47 0.00 4.15 -0.79 -1.02 115.11 117.87 1jh6 h GLN 136 Ca 0.16 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1jh6 h GLN 136 Cb 0.62 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1jh6 h GLN 136 CO 0.04 -0.03 0.09 1.49 -1.93 0.00 0.00 178.83 178.49 1jh6 h GLU 137 N -0.05 0.72 -0.43 1.69 4.57 -1.01 -2.31 114.58 117.75 1jh6 h GLU 137 Ca 0.02 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1jh6 h GLU 137 Cb 0.08 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1jh6 h GLU 137 CO -0.05 0.67 0.07 -0.22 -1.18 0.00 0.00 179.01 178.30 1jh6 h LYS 138 N 0.70 0.66 -0.65 1.92 1.63 -0.24 0.43 116.57 121.02 1jh6 h LYS 138 Ca 0.15 -0.13 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1jh6 h LYS 138 Cb 0.29 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 1jh6 h LYS 138 CO 0.00 0.63 0.40 0.00 -3.45 0.00 0.00 179.45 177.03 1jh6 h ALA 139 N 1.44 0.85 -0.05 5.00 0.00 -0.64 0.05 119.26 125.92 1jh6 h ALA 139 Ca 0.14 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1jh6 h ALA 139 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jh6 h ALA 139 CO 0.00 0.14 -0.70 1.88 0.00 0.00 0.00 179.25 180.57 1jh6 h TYR 140 N 0.78 0.32 -0.71 0.00 0.99 -1.23 -0.47 116.97 116.65 1jh6 h TYR 140 Ca 0.27 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1jh6 h TYR 140 Cb 0.04 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.69 1jh6 h TYR 140 CO -0.05 0.86 0.24 1.15 -0.00 0.00 0.00 178.16 180.36 1jh6 h THR 141 N 0.16 1.25 -0.07 -2.88 2.02 -0.30 -1.20 112.91 111.89 1jh6 h THR 141 Ca -0.02 -0.84 -0.21 0.00 0.77 0.00 0.00 66.41 66.11 1jh6 h THR 141 Cb 1.25 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1jh6 h THR 141 CO 0.11 0.33 -0.82 -0.07 0.37 0.00 0.00 175.52 175.44 1jh6 h LEU 142 N 1.04 0.64 -6.36 2.58 3.38 -0.87 -3.41 115.31 112.32 1jh6 h LEU 142 Ca 0.23 -0.45 -0.38 0.00 0.09 0.00 0.00 57.88 57.37 1jh6 h LEU 142 Cb 0.26 -0.19 -0.31 0.00 0.09 0.00 0.00 40.66 40.51 1jh6 h LEU 142 CO -0.01 1.22 -0.70 -0.62 0.09 0.00 0.00 178.44 178.42 1jh6 s ASP 143 N -7.06 1.25 0.06 -0.43 -1.08 -0.20 -5.01 116.67 104.21 1jh6 s ASP 143 Ca -0.07 -1.66 0.21 0.00 -0.52 0.00 0.00 52.55 50.51 1jh6 s ASP 143 Cb 0.09 0.50 0.86 0.00 -1.46 0.00 0.00 42.92 42.92 1jh6 s ASP 143 CO 0.87 -0.26 1.66 -1.54 0.52 0.00 0.00 175.17 176.42 1jh6 n SER 144 N 4.18 0.17 -1.84 -0.34 3.41 -0.47 -3.32 113.62 115.41 1jh6 n SER 144 Ca 0.12 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 59.09 1jh6 n SER 144 Cb 0.45 -0.57 0.18 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.68 3.37 -0.10 4.04 3.41 -1.26 -4.62 113.62 116.77 1jh6 n SER 145 Ca 0.04 -3.69 -0.12 0.00 -0.26 0.00 0.00 58.87 54.85 1jh6 n SER 145 Cb 0.25 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 1.03 0.93 -9.59 1.04 3.38 -1.94 -3.39 115.31 106.77 1jh6 h LEU 146 Ca 0.48 -0.42 -0.52 0.00 0.09 0.00 0.00 57.88 57.51 1jh6 h LEU 146 Cb 2.37 -0.26 0.05 0.00 0.09 0.00 0.00 40.66 42.90 1jh6 h LEU 146 CO 0.85 1.20 1.01 -1.81 0.09 0.00 0.00 178.44 179.78 1jh6 s ASP 147 N -6.85 6.45 0.00 -0.43 -0.00 -1.26 -1.39 116.67 113.20 1jh6 s ASP 147 Ca -0.10 2.75 0.00 0.00 -0.00 0.00 0.00 52.55 55.20 1jh6 s ASP 147 Cb 0.11 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 1jh6 s ASP 147 CO 0.87 -0.94 0.00 0.61 -0.00 0.00 0.00 175.17 175.71 1jh6 n GLY 148 N 4.00 0.90 3.72 0.21 0.00 0.98 -5.00 105.19 110.00 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 4.38 -0.03 0.99 2.96 -0.48 -4.60 118.68 121.90 1jh6 s LEU 149 Ca 0.00 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.20 1jh6 s LEU 149 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1jh6 s LEU 149 CO 0.00 -0.59 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.94 1jh6 s SER 150 N 0.94 4.72 0.04 3.68 0.01 -1.26 0.29 113.70 122.12 1jh6 s SER 150 Ca 0.62 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.79 1jh6 s SER 150 Cb -0.35 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1jh6 s SER 150 CO 0.31 0.32 0.02 0.72 0.41 0.00 0.00 173.24 175.03 1jh6 s PHE 151 N -0.92 0.32 0.09 2.43 -0.12 -0.05 -4.98 117.98 114.74 1jh6 s PHE 151 Ca 0.15 -0.69 -0.09 0.00 -0.05 0.00 0.00 56.93 56.25 1jh6 s PHE 151 Cb -0.11 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 41.99 1jh6 s PHE 151 CO 0.05 -0.33 0.40 0.50 -0.05 0.00 0.00 175.22 175.79 1jh6 s ARG 152 N -2.74 3.75 -0.33 1.99 3.52 -1.26 -1.22 118.95 122.65 1jh6 s ARG 152 Ca -0.04 0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1jh6 s ARG 152 Cb -0.01 -2.98 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 1jh6 s ARG 152 CO -0.05 0.55 0.06 -0.51 -0.81 0.00 0.00 175.30 174.54 1jh6 s LEU 153 N -1.98 4.32 -0.03 -0.88 1.43 0.13 -0.06 118.68 121.61 1jh6 s LEU 153 Ca 0.34 -1.52 0.05 0.00 -1.03 0.00 0.00 54.13 51.97 1jh6 s LEU 153 Cb -0.14 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1jh6 s LEU 153 CO 0.18 -0.35 1.01 -0.46 0.23 0.00 0.00 176.35 176.97 1jh6 n ASN 154 N 4.60 1.92 -3.94 2.29 2.04 -0.86 -2.19 115.26 119.12 1jh6 n ASN 154 Ca -0.09 -2.22 -0.09 0.00 -0.44 0.00 0.00 54.58 51.74 1jh6 n ASN 154 Cb 0.43 -0.12 -0.09 0.00 -2.53 0.00 0.00 39.78 37.47 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 -1.40 0.64 0.15 -3.83 0.52 -1.23 -0.98 118.95 112.83 1jh6 s ARG 155 Ca 0.08 -0.85 0.10 0.00 -0.52 0.00 0.00 55.73 54.54 1jh6 s ARG 155 Cb 0.07 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 1jh6 s ARG 155 CO 0.01 -0.16 -0.22 -0.51 0.02 0.00 0.00 175.30 174.43 1jh6 s LEU 156 N -2.37 2.39 0.00 2.53 1.43 -0.40 -0.64 118.68 121.61 1jh6 s LEU 156 Ca -0.01 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1jh6 s LEU 156 Cb 0.01 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1jh6 s LEU 156 CO -0.06 0.07 -0.14 0.00 0.23 0.00 0.00 176.35 176.45 1jh6 s ALA 157 N -1.58 1.14 -0.22 4.21 0.00 0.62 -1.12 121.76 124.81 1jh6 s ALA 157 Ca 0.15 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1jh6 s ALA 157 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1jh6 s ALA 157 CO 0.07 0.26 0.06 -1.17 0.00 0.00 0.00 175.76 174.98 1jh6 s LEU 158 N -0.57 3.54 0.04 0.00 2.96 0.81 -1.17 118.68 124.29 1jh6 s LEU 158 Ca 0.04 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1jh6 s LEU 158 Cb -0.06 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1jh6 s LEU 158 CO 0.00 0.05 -0.08 0.00 -1.32 0.00 0.00 176.35 175.00 1jh6 s LYS 160 N -1.38 4.14 -0.02 0.00 1.02 0.77 -0.57 119.74 123.71 1jh6 s LYS 160 Ca -0.07 0.17 -0.00 0.00 0.02 0.00 0.00 55.97 56.08 1jh6 s LYS 160 Cb -0.09 -3.56 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1jh6 s LYS 160 CO 0.01 -0.10 0.04 0.95 -0.92 0.00 0.00 175.35 175.33 1jh6 s THR 161 N 1.49 -0.05 -0.77 2.17 -4.23 -1.25 -1.11 115.64 111.89 1jh6 s THR 161 Ca 0.18 0.18 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 1jh6 s THR 161 Cb -0.15 -0.09 0.07 0.00 1.34 0.00 0.00 72.50 73.67 1jh6 s THR 161 CO 0.08 0.07 1.11 -0.62 -0.54 0.00 0.00 174.62 174.73 1jh6 s ASP 162 N 0.93 6.31 0.13 3.99 -1.08 -1.26 -4.83 116.67 120.86 1jh6 s ASP 162 Ca -0.08 -1.18 0.04 0.00 -0.52 0.00 0.00 52.55 50.81 1jh6 s ASP 162 Cb -0.11 -2.46 0.23 0.00 -1.46 0.00 0.00 42.92 39.13 1jh6 s ASP 162 CO -0.03 -1.44 0.92 0.35 0.52 0.00 0.00 175.17 175.50 1jh6 n THR 163 N 6.02 0.75 -0.33 1.71 -2.24 -1.26 0.08 114.28 119.01 1jh6 n THR 163 Ca 0.08 0.60 0.04 0.00 -2.27 0.00 0.00 64.05 62.50 1jh6 n THR 163 Cb 0.47 -1.60 0.09 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.55 2.66 -3.06 -0.78 1.02 -1.26 -4.93 120.64 112.74 1jh6 n GLU 164 Ca -0.00 -1.95 -0.45 0.00 -0.02 0.00 0.00 57.16 54.74 1jh6 n GLU 164 Cb 0.33 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.42 6.37 0.18 1.62 2.15 0.11 -4.91 116.67 120.77 1jh6 s ASP 165 Ca 0.15 -1.70 0.16 0.00 0.43 0.00 0.00 52.55 51.58 1jh6 s ASP 165 Cb 0.11 -2.33 0.75 0.00 -0.30 0.00 0.00 42.92 41.15 1jh6 s ASP 165 CO 0.05 -1.07 1.48 0.29 -0.17 0.00 0.00 175.17 175.75 1jh6 n LYS 166 N 6.23 0.10 0.09 4.34 5.02 -1.26 -1.41 118.16 131.27 1jh6 n LYS 166 Ca 0.03 0.50 0.01 0.00 -2.02 0.00 0.00 58.31 56.82 1jh6 n LYS 166 Cb 0.45 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.77 0.00 -0.18 1.35 -1.97 -3.47 112.91 109.41 1jh6 h THR 167 Ca 0.00 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1jh6 h THR 167 Cb 0.12 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1jh6 h THR 167 CO 0.00 0.44 0.00 0.18 -0.25 0.00 0.00 175.52 175.89 1jh6 n LEU 168 N -3.09 0.36 0.21 3.87 4.77 -0.50 -4.87 117.00 117.76 1jh6 n LEU 168 Ca -0.03 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.11 1jh6 n LEU 168 Cb 0.80 -0.64 0.83 0.00 -2.33 0.00 0.00 43.42 42.08 1jh6 n LEU 168 CO 0.42 -0.21 1.14 -0.33 -1.33 0.00 0.00 177.39 177.09 1jh6 h GLU 169 N 1.74 0.00 -0.02 3.23 4.39 -1.91 0.51 114.58 122.51 1jh6 h GLU 169 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jh6 h GLU 169 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1jh6 h GLU 169 CO 0.00 0.00 -0.01 0.25 -1.16 0.00 0.00 179.01 178.09 1jh6 n THR 170 N -3.85 0.00 -2.76 1.13 -2.24 -1.26 -4.86 114.28 100.45 1jh6 n THR 170 Ca 0.01 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1jh6 n THR 170 Cb 0.29 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.01 3.37 -0.09 4.78 0.52 0.17 -4.39 118.94 121.29 1jh6 s TRP 171 Ca 0.35 1.37 -0.08 0.00 0.02 0.00 0.00 56.10 57.76 1jh6 s TRP 171 Cb 0.21 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1jh6 s TRP 171 CO 0.33 -0.39 0.23 -1.83 0.02 0.00 0.00 176.95 175.32 1jh6 s GLU 172 N 2.78 0.27 -0.19 4.98 -1.05 -0.26 -5.01 118.70 120.22 1jh6 s GLU 172 Ca 0.41 0.32 -0.20 0.00 -0.15 0.00 0.00 54.97 55.35 1jh6 s GLU 172 Cb -0.16 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 1jh6 s GLU 172 CO 0.09 -0.03 0.61 0.99 0.95 0.00 0.00 175.26 177.87 1jh6 s THR 173 N 0.12 5.04 -0.18 1.83 2.01 -1.26 -0.16 115.64 123.04 1jh6 s THR 173 Ca -0.00 1.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.96 1jh6 s THR 173 Cb -0.02 -3.93 -0.17 0.00 0.01 0.00 0.00 72.50 68.40 1jh6 s THR 173 CO 0.00 0.13 0.24 0.58 -0.69 0.00 0.00 174.62 174.88 1jh6 h VAL 174 N 5.15 0.87 -3.75 3.82 2.07 -0.79 -3.48 116.25 120.14 1jh6 h VAL 174 Ca -0.32 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.14 1jh6 h VAL 174 Cb 1.15 1.94 -0.16 0.00 -1.52 0.00 0.00 31.29 32.70 1jh6 h VAL 174 CO 0.77 0.30 -0.42 0.00 0.02 0.00 0.00 177.57 178.23 1jh6 s ALA 175 N -2.41 -0.20 0.07 1.67 0.00 -1.06 -4.99 121.76 114.85 1jh6 s ALA 175 Ca -0.23 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1jh6 s ALA 175 Cb 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1jh6 s ALA 175 CO 0.52 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 175.82 1jh6 s VAL 176 N -3.24 0.92 0.00 0.00 1.01 -1.26 -0.13 120.40 117.69 1jh6 s VAL 176 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.52 1jh6 s VAL 176 Cb 0.02 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1jh6 s VAL 176 CO -0.08 -0.38 0.20 0.00 0.00 0.00 0.00 175.10 174.84 1jh6 s ASN 178 N -1.43 6.83 0.16 0.00 0.01 -1.26 -1.28 114.94 117.97 1jh6 s ASN 178 Ca -0.14 0.99 -0.06 0.00 -0.71 0.00 0.00 52.86 52.94 1jh6 s ASN 178 Cb -0.06 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.27 1jh6 s ASN 178 CO 0.02 0.28 0.42 -0.76 -1.51 0.00 0.00 177.10 175.55 1jh6 s LEU 179 N -0.87 4.25 0.35 0.60 1.43 -0.15 -4.93 118.68 119.35 1jh6 s LEU 179 Ca 0.25 0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 53.77 1jh6 s LEU 179 Cb -0.17 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 1jh6 s LEU 179 CO 0.14 0.03 1.08 0.20 0.23 0.00 0.00 176.35 178.02 1jh6 s ASN 180 N -2.37 6.97 0.00 2.29 0.01 -1.25 -4.50 114.94 116.09 1jh6 s ASN 180 Ca 0.42 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.73 1jh6 s ASN 180 Cb -0.12 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1jh6 s ASN 180 CO 0.23 -0.35 0.38 -0.81 -1.51 0.00 0.00 177.10 175.05