#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj9 h ASP 3 N 0.00 0.00 -0.13 1.20 3.32 -2.06 -3.15 116.42 115.60 3hj9 h ASP 3 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3hj9 h ASP 3 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hj9 h ASP 3 CO 0.00 0.18 0.18 -0.07 -1.72 0.00 0.00 179.24 177.82 3hj9 h LEU 4 N 0.00 0.00 -1.40 1.55 3.38 -2.07 0.93 115.31 117.70 3hj9 h LEU 4 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hj9 h LEU 4 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hj9 h LEU 4 CO 0.02 0.00 -0.03 0.07 0.09 0.00 0.00 178.44 178.59 3hj9 h LYS 5 N 0.00 0.35 0.00 1.13 2.10 -2.03 -2.89 116.57 115.23 3hj9 h LYS 5 Ca 0.06 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3hj9 h LYS 5 Cb 0.43 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3hj9 h LYS 5 CO -0.00 0.41 0.00 0.54 -2.00 0.00 0.00 179.45 178.40 3hj9 n ARG 6 N -4.31 0.21 -1.86 0.07 1.74 0.32 -4.87 116.66 107.95 3hj9 n ARG 6 Ca 0.00 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 3hj9 n ARG 6 Cb 0.23 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3hj9 n ARG 6 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hj9 s LEU 7 N -2.72 4.34 0.30 0.55 1.43 -1.09 -4.91 118.68 116.58 3hj9 s LEU 7 Ca 0.17 2.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.94 3hj9 s LEU 7 Cb 0.15 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 3hj9 s LEU 7 CO 0.36 -0.81 1.57 -2.16 0.23 0.00 0.00 176.35 175.53 3hj9 s PRO 8 N -1.80 4.13 0.64 1.29 0.04 -1.26 -4.93 135.00 133.11 3hj9 s PRO 8 Ca 0.54 2.55 -0.17 0.00 0.04 0.00 0.00 61.00 63.96 3hj9 s PRO 8 Cb -0.45 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 3hj9 s PRO 8 CO 0.59 -0.60 1.20 0.71 0.04 0.00 0.00 177.00 178.94 3hj9 s TYR 9 N -0.17 2.31 0.16 0.56 2.02 -1.26 -4.97 117.35 116.01 3hj9 s TYR 9 Ca 0.61 1.54 -0.30 0.00 -0.37 0.00 0.00 57.07 58.55 3hj9 s TYR 9 Cb -0.47 -3.45 -0.08 0.00 -0.40 0.00 0.00 41.96 37.55 3hj9 s TYR 9 CO 0.50 -2.29 1.33 -2.00 -1.57 0.00 0.00 175.55 171.52 3hj9 s GLU 10 N -3.57 4.37 0.47 -0.62 2.12 -1.26 -4.82 118.70 115.39 3hj9 s GLU 10 Ca 0.76 2.05 -0.23 0.00 0.36 0.00 0.00 54.97 57.91 3hj9 s GLU 10 Cb -0.29 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 3hj9 s GLU 10 CO 0.37 -0.32 1.17 -1.25 -0.54 0.00 0.00 175.26 174.70 3hj9 s PRO 11 N 0.37 3.71 -0.40 4.30 0.04 -1.26 -0.33 135.00 141.43 3hj9 s PRO 11 Ca 0.60 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 3hj9 s PRO 11 Cb -0.36 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.81 3hj9 s PRO 11 CO 0.35 -0.59 0.45 0.08 0.04 0.00 0.00 177.00 177.32 3hj9 s VAL 12 N -1.54 5.07 -0.07 -0.36 1.01 0.01 -4.76 120.40 119.76 3hj9 s VAL 12 Ca 0.64 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 3hj9 s VAL 12 Cb -0.29 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3hj9 s VAL 12 CO 0.35 -0.35 0.15 -1.59 0.00 0.00 0.00 175.10 173.67 3hj9 s LYS 13 N 2.20 3.43 0.00 2.72 -2.85 -1.26 -4.64 119.74 119.33 3hj9 s LYS 13 Ca 0.14 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 3hj9 s LYS 13 Cb -0.16 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 3hj9 s LYS 13 CO 0.14 0.73 0.00 0.41 0.10 0.00 0.00 175.35 176.73 3hj9 n GLY 14 N 1.54 2.71 3.75 0.59 0.00 -1.26 -5.02 105.19 107.50 3hj9 n GLY 14 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3hj9 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hj9 s LEU 15 N 0.00 4.35 0.33 0.99 1.02 -1.26 -5.03 118.68 119.08 3hj9 s LEU 15 Ca 0.00 2.93 0.08 0.00 0.02 0.00 0.00 54.13 57.16 3hj9 s LEU 15 Cb 0.00 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 3hj9 s LEU 15 CO 0.00 -0.90 0.21 -0.76 0.02 0.00 0.00 176.35 174.93 3hj9 s LEU 16 N -0.50 3.45 0.33 1.79 1.43 -1.26 -5.09 118.68 118.82 3hj9 s LEU 16 Ca 0.63 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3hj9 s LEU 16 Cb -0.47 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 3hj9 s LEU 16 CO 0.48 -0.31 1.36 -2.84 0.23 0.00 0.00 176.35 175.27 3hj9 s PRO 17 N -3.91 4.29 0.56 1.29 0.02 -1.26 -5.00 135.00 130.99 3hj9 s PRO 17 Ca 0.39 2.30 -0.15 0.00 0.02 0.00 0.00 61.00 63.56 3hj9 s PRO 17 Cb -0.04 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.36 3hj9 s PRO 17 CO 0.25 -0.29 1.01 1.03 -0.33 0.00 0.00 177.00 178.67 3hj9 s ARG 18 N -1.63 3.72 0.46 5.54 0.52 -0.95 -4.88 118.95 121.73 3hj9 s ARG 18 Ca 0.51 0.93 -0.24 0.00 -0.52 0.00 0.00 55.73 56.41 3hj9 s ARG 18 Cb -0.41 -2.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 3hj9 s ARG 18 CO 0.53 -0.47 1.33 -2.14 0.02 0.00 0.00 175.30 174.58 3hj9 s PRO 19 N -4.43 3.65 0.38 3.54 0.02 -1.26 -0.41 135.00 136.48 3hj9 s PRO 19 Ca 0.58 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 63.52 3hj9 s PRO 19 Cb -0.11 -2.55 -0.10 0.00 0.02 0.00 0.00 34.50 31.76 3hj9 s PRO 19 CO 0.40 -0.77 1.42 0.00 -0.33 0.00 0.00 177.00 177.71 3hj9 s ALA 20 N -1.30 3.48 -0.27 -1.55 0.00 -1.26 -4.23 121.76 116.63 3hj9 s ALA 20 Ca 0.63 1.45 -0.04 0.00 0.00 0.00 0.00 51.96 54.00 3hj9 s ALA 20 Cb -0.39 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.19 3hj9 s ALA 20 CO 0.49 -0.95 0.01 0.08 0.00 0.00 0.00 175.76 175.38 3hj9 s VAL 21 N -1.15 3.41 0.00 0.00 1.01 0.34 -4.95 120.40 119.06 3hj9 s VAL 21 Ca 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3hj9 s VAL 21 Cb -0.44 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3hj9 s VAL 21 CO 0.58 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.44 3hj9 n GLY 22 N 4.77 -0.04 3.61 4.51 0.00 -1.26 -2.67 105.19 114.10 3hj9 n GLY 22 Ca -0.16 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.26 3hj9 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hj9 s THR 23 N 0.00 5.29 -1.20 2.61 -4.23 -1.26 -5.00 115.64 111.85 3hj9 s THR 23 Ca 0.00 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.71 3hj9 s THR 23 Cb 0.00 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.49 3hj9 s THR 23 CO 0.00 0.25 1.66 -0.24 -0.54 0.00 0.00 174.62 175.76 3hj9 n SER 24 N 4.91 5.55 -4.76 3.99 2.88 -1.26 -4.90 113.62 120.03 3hj9 n SER 24 Ca -0.13 -3.19 -0.38 0.00 -1.33 0.00 0.00 58.87 53.85 3hj9 n SER 24 Cb 0.52 -1.42 0.01 0.00 -0.75 0.00 0.00 64.21 62.57 3hj9 n SER 24 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3hj9 s GLU 25 N -0.58 3.54 0.21 -1.46 0.41 -1.26 -4.95 118.70 114.61 3hj9 s GLU 25 Ca 0.37 1.96 -0.07 0.00 -0.41 0.00 0.00 54.97 56.81 3hj9 s GLU 25 Cb 0.06 -2.37 0.16 0.00 -1.78 0.00 0.00 34.13 30.20 3hj9 s GLU 25 CO 0.03 -0.78 1.74 -0.09 -0.49 0.00 0.00 175.26 175.67 3hj9 h ARG 26 N 1.86 1.11 -4.04 1.61 2.43 -1.95 -3.41 114.38 111.99 3hj9 h ARG 26 Ca -0.50 -0.25 -0.36 0.00 -0.81 0.00 0.00 59.98 58.06 3hj9 h ARG 26 Cb 1.27 -0.15 -0.32 0.00 -0.42 0.00 0.00 29.97 30.34 3hj9 h ARG 26 CO 0.59 0.97 -0.76 0.08 -1.51 0.00 0.00 179.97 179.34 3hj9 s VAL 27 N -5.34 0.39 -0.27 0.20 1.01 -1.26 -1.11 120.40 114.02 3hj9 s VAL 27 Ca -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hj9 s VAL 27 Cb 0.15 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 36.14 3hj9 s VAL 27 CO 0.84 0.16 0.01 -0.63 0.00 0.00 0.00 175.10 175.49 3hj9 s ILE 28 N 0.56 3.50 0.19 2.22 1.01 -0.21 -4.98 121.20 123.48 3hj9 s ILE 28 Ca -0.06 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 3hj9 s ILE 28 Cb -0.10 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.52 3hj9 s ILE 28 CO -0.00 0.16 0.90 -0.89 0.00 0.00 0.00 174.94 175.11 3hj9 s THR 29 N 1.43 4.26 0.02 2.92 2.01 -1.26 -1.09 115.64 123.93 3hj9 s THR 29 Ca 0.02 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.03 3hj9 s THR 29 Cb -0.17 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 3hj9 s THR 29 CO -0.01 0.46 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.56 3hj9 s LEU 30 N -0.87 3.18 0.71 4.42 1.43 -1.20 -4.98 118.68 121.37 3hj9 s LEU 30 Ca 0.41 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 3hj9 s LEU 30 Cb -0.24 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3hj9 s LEU 30 CO 0.30 0.27 1.08 -2.16 0.23 0.00 0.00 176.35 176.07 3hj9 s PRO 31 N -1.53 2.68 0.27 1.29 0.04 -1.26 -4.92 135.00 131.58 3hj9 s PRO 31 Ca 0.18 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 3hj9 s PRO 31 Cb -0.11 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3hj9 s PRO 31 CO 0.09 -1.31 1.62 -1.21 0.04 0.00 0.00 177.00 176.23 3hj9 s GLU 32 N -4.74 4.12 0.48 4.56 2.02 -1.26 -4.87 118.70 119.01 3hj9 s GLU 32 Ca 0.61 2.59 -0.21 0.00 0.02 0.00 0.00 54.97 57.97 3hj9 s GLU 32 Cb -0.16 -3.03 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 3hj9 s GLU 32 CO 0.51 -0.66 1.09 -1.25 0.02 0.00 0.00 175.26 174.97 3hj9 s PRO 33 N -0.12 3.76 0.57 0.39 0.04 -1.26 -5.02 135.00 133.36 3hj9 s PRO 33 Ca 0.66 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 3hj9 s PRO 33 Cb -0.48 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3hj9 s PRO 33 CO 0.44 -0.49 1.20 -0.51 0.04 0.00 0.00 177.00 177.68 3hj9 s ASP 34 N -1.71 5.36 -0.03 6.66 1.01 -1.26 -5.01 116.67 121.69 3hj9 s ASP 34 Ca 0.66 2.36 0.01 0.00 0.71 0.00 0.00 52.55 56.29 3hj9 s ASP 34 Cb -0.22 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.09 3hj9 s ASP 34 CO 0.26 -1.48 -0.01 -2.11 0.21 0.00 0.00 175.17 172.04 3hj9 n ARG 35 N -1.43 1.31 0.00 8.23 1.85 -1.26 -4.93 116.66 120.43 3hj9 n ARG 35 Ca 0.13 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3hj9 n ARG 35 Cb 0.50 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 3hj9 n ARG 35 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hj9 n THR 36 N -2.41 0.00 -1.22 8.89 -2.24 -1.26 -5.03 114.28 111.01 3hj9 n THR 36 Ca -0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 3hj9 n THR 36 Cb 0.56 -0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.95 3hj9 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hj9 s SER 37 N -1.00 3.02 0.00 3.42 0.15 -1.26 -5.15 113.70 112.88 3hj9 s SER 37 Ca 0.00 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.93 3hj9 s SER 37 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 3hj9 s SER 37 CO 0.00 -2.89 0.00 0.61 1.20 0.00 0.00 173.24 172.16 3hj9 n GLY 38 N -1.21 1.18 3.83 9.45 0.00 -1.26 -5.03 105.19 112.14 3hj9 n GLY 38 Ca 0.06 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3hj9 n GLY 38 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hj9 s PRO 40 N 0.00 3.31 0.00 1.61 0.02 -1.26 -5.17 135.00 133.51 3hj9 s PRO 40 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 61.00 60.81 3hj9 s PRO 40 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3hj9 s PRO 40 CO 0.00 0.75 0.00 -0.11 -0.33 0.00 0.00 177.00 177.31 3hj9 n LEU 41 N 1.98 0.00 0.00 -5.54 7.94 -1.26 -1.88 117.00 118.24 3hj9 n LEU 41 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 3hj9 n LEU 41 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 3hj9 n LEU 41 CO 0.31 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 3hj9 n GLY 43 N 0.39 0.00 0.25 -3.96 0.00 -1.26 -1.19 105.19 99.42 3hj9 n GLY 43 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hj9 n GLY 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hj9 h THR 44 N 0.00 1.26 -0.76 2.61 1.35 -1.72 -2.47 112.91 113.18 3hj9 h THR 44 Ca 0.00 -1.25 -0.05 0.00 -0.55 0.00 0.00 66.41 64.56 3hj9 h THR 44 Cb 0.00 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 3hj9 h THR 44 CO 0.00 0.41 0.27 -0.07 -0.25 0.00 0.00 175.52 175.88 3hj9 h LEU 45 N 0.53 1.07 -1.07 3.87 3.38 -1.44 -0.97 115.31 120.68 3hj9 h LEU 45 Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3hj9 h LEU 45 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3hj9 h LEU 45 CO 0.05 0.96 0.26 -0.50 0.09 0.00 0.00 178.44 179.30 3hj9 h TRP 46 N 1.11 0.93 -0.07 1.13 4.06 -1.78 -3.12 115.95 118.21 3hj9 h TRP 46 Ca 0.25 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.15 3hj9 h TRP 46 Cb 0.25 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3hj9 h TRP 46 CO 0.02 0.71 0.00 1.28 -3.56 0.00 0.00 178.44 176.89 3hj9 n LEU 47 N -4.32 2.44 -4.66 -4.49 4.77 -0.95 -4.93 117.00 104.85 3hj9 n LEU 47 Ca 0.06 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.76 3hj9 n LEU 47 Cb 0.16 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3hj9 n LEU 47 CO 0.39 0.43 1.33 -0.60 -1.33 0.00 0.00 177.39 177.61 3hj9 s ARG 48 N -1.94 4.19 0.26 3.23 3.00 -0.39 -4.86 118.95 122.45 3hj9 s ARG 48 Ca 0.33 2.14 -0.21 0.00 -1.00 0.00 0.00 55.73 56.99 3hj9 s ARG 48 Cb 0.20 -3.93 0.02 0.00 0.00 0.00 0.00 34.95 31.24 3hj9 s ARG 48 CO 0.31 -0.82 0.69 -1.59 0.00 0.00 0.00 175.30 173.89 3hj9 s LYS 49 N 3.87 1.71 -0.13 5.12 -2.85 -1.26 -5.05 119.74 121.16 3hj9 s LYS 49 Ca 0.71 -0.95 -0.07 0.00 -1.00 0.00 0.00 55.97 54.67 3hj9 s LYS 49 Cb -0.32 0.60 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3hj9 s LYS 49 CO 0.28 -0.78 0.12 -1.12 0.10 0.00 0.00 175.35 173.96 3hj9 s SER 50 N -2.91 6.22 -0.02 0.03 0.01 -1.26 -4.55 113.70 111.23 3hj9 s SER 50 Ca 0.11 0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.82 3hj9 s SER 50 Cb -0.05 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 3hj9 s SER 50 CO 0.05 0.38 -0.20 -0.89 0.41 0.00 0.00 173.24 172.99 3hj9 s THR 51 N -0.84 1.56 0.00 1.44 2.01 0.42 -4.94 115.64 115.29 3hj9 s THR 51 Ca 0.14 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3hj9 s THR 51 Cb -0.12 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3hj9 s THR 51 CO 0.03 0.44 0.00 0.54 -0.69 0.00 0.00 174.62 174.94 3hj9 n ARG 52 N 2.67 5.14 -5.02 4.92 1.74 -1.26 -3.93 116.66 120.91 3hj9 n ARG 52 Ca -0.15 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.60 3hj9 n ARG 52 Cb 0.53 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 31.30 3hj9 n ARG 52 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hj9 s GLU 53 N -0.97 3.06 0.15 5.56 8.01 -1.26 -0.33 118.70 132.91 3hj9 s GLU 53 Ca 0.00 -0.86 0.08 0.00 0.01 0.00 0.00 54.97 54.19 3hj9 s GLU 53 Cb 0.00 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 3hj9 s GLU 53 CO 0.00 0.12 -0.17 -0.06 0.01 0.00 0.00 175.26 175.16 3hj9 s PHE 54 N 0.49 1.67 0.39 1.61 0.08 -1.26 -1.06 117.98 119.89 3hj9 s PHE 54 Ca -0.15 -0.50 -0.23 0.00 0.12 0.00 0.00 56.93 56.17 3hj9 s PHE 54 Cb -0.17 -0.85 -0.10 0.00 -0.57 0.00 0.00 43.02 41.33 3hj9 s PHE 54 CO 0.05 0.26 0.95 0.34 -0.10 0.00 0.00 175.22 176.72 3hj9 s ASP 55 N -2.58 7.09 0.00 1.36 2.15 0.69 -4.50 116.67 120.87 3hj9 s ASP 55 Ca 0.13 1.76 0.28 0.00 0.43 0.00 0.00 52.55 55.15 3hj9 s ASP 55 Cb -0.05 -2.56 1.14 0.00 -0.30 0.00 0.00 42.92 41.15 3hj9 s ASP 55 CO 0.05 -0.25 1.80 0.00 -0.17 0.00 0.00 175.17 176.60 3hj9 n GLN 56 N -0.16 0.79 -1.71 4.34 1.13 -1.26 -4.31 117.38 116.21 3hj9 n GLN 56 Ca 0.05 -0.33 -0.43 0.00 -1.94 0.00 0.00 57.00 54.35 3hj9 n GLN 56 Cb 0.52 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 3hj9 n GLN 56 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3hj9 n GLN 57 N -0.82 2.63 -1.34 -1.09 -0.06 -1.26 -4.61 117.38 110.83 3hj9 n GLN 57 Ca 0.15 0.95 -0.33 0.00 -2.00 0.00 0.00 57.00 55.77 3hj9 n GLN 57 Cb 0.29 -2.78 0.10 0.00 -4.06 0.00 0.00 30.24 23.79 3hj9 n GLN 57 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3hj9 s PRO 58 N 1.17 2.10 0.33 3.69 0.04 -1.26 -4.72 135.00 136.34 3hj9 s PRO 58 Ca 0.76 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 63.06 3hj9 s PRO 58 Cb -0.55 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3hj9 s PRO 58 CO 0.34 -1.82 1.16 -0.51 0.04 0.00 0.00 177.00 176.21 3hj9 s LEU 59 N -5.48 4.42 0.79 -3.56 1.02 -1.26 -5.01 118.68 109.60 3hj9 s LEU 59 Ca 0.69 2.38 -0.12 0.00 0.02 0.00 0.00 54.13 57.10 3hj9 s LEU 59 Cb -0.24 -3.75 0.08 0.00 0.02 0.00 0.00 46.19 42.30 3hj9 s LEU 59 CO 0.48 -0.37 1.14 -2.16 0.02 0.00 0.00 176.35 175.46 3hj9 s PRO 60 N -1.78 1.87 0.34 1.29 0.04 -1.26 -4.72 135.00 130.79 3hj9 s PRO 60 Ca 0.49 1.48 0.08 0.00 0.04 0.00 0.00 61.00 63.09 3hj9 s PRO 60 Cb -0.33 -1.83 0.77 0.00 0.04 0.00 0.00 34.50 33.15 3hj9 s PRO 60 CO 0.43 -1.98 1.87 1.25 0.04 0.00 0.00 177.00 178.60 3hj9 h LEU 61 N -1.02 0.70 -0.68 -3.56 5.85 -1.99 -0.62 115.31 114.00 3hj9 h LEU 61 Ca -0.45 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3hj9 h LEU 61 Cb 1.26 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3hj9 h LEU 61 CO 0.48 0.36 0.42 0.50 -0.34 0.00 0.00 178.44 179.86 3hj9 h LYS 62 N 0.74 0.79 -0.17 1.25 3.64 -1.96 -0.91 116.57 119.95 3hj9 h LYS 62 Ca 0.45 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.64 3hj9 h LYS 62 Cb 0.66 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hj9 h LYS 62 CO -0.21 0.53 -0.46 1.96 -2.27 0.00 0.00 179.45 178.99 3hj9 h GLN 63 N 0.82 0.62 -0.75 1.90 4.20 -1.52 -1.89 115.11 118.49 3hj9 h GLN 63 Ca 0.28 -0.43 0.07 0.00 0.06 0.00 0.00 58.65 58.63 3hj9 h GLN 63 Cb 0.04 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3hj9 h GLN 63 CO -0.11 1.05 0.42 1.25 -0.67 0.00 0.00 178.83 180.77 3hj9 h LEU 64 N 0.29 0.62 0.32 1.46 5.85 -1.01 -1.34 115.31 121.49 3hj9 h LEU 64 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hj9 h LEU 64 Cb 1.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3hj9 h LEU 64 CO 0.10 0.38 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.14 3hj9 h SER 65 N 0.75 -0.37 -0.60 1.25 0.87 -1.10 -1.87 113.55 112.48 3hj9 h SER 65 Ca 0.35 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.86 3hj9 h SER 65 Cb 0.26 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hj9 h SER 65 CO -0.21 -0.24 0.21 -0.33 -0.53 0.00 0.00 176.83 175.73 3hj9 h GLU 66 N -0.46 0.96 0.21 2.24 5.08 -1.17 -0.85 114.58 120.59 3hj9 h GLU 66 Ca -0.04 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hj9 h GLU 66 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hj9 h GLU 66 CO 0.07 0.81 -0.10 1.25 -1.00 0.00 0.00 179.01 180.04 3hj9 h LEU 67 N 0.93 -0.24 -0.49 1.33 5.85 -1.19 0.21 115.31 121.72 3hj9 h LEU 67 Ca 0.21 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3hj9 h LEU 67 Cb 0.24 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3hj9 h LEU 67 CO -0.01 -0.15 0.28 -0.07 -0.34 0.00 0.00 178.44 178.15 3hj9 h LEU 68 N -0.31 0.60 -0.44 2.25 3.38 -1.21 0.17 115.31 119.76 3hj9 h LEU 68 Ca -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hj9 h LEU 68 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hj9 h LEU 68 CO 0.05 0.51 0.23 -0.25 0.09 0.00 0.00 178.44 179.07 3hj9 h TRP 69 N 0.65 0.61 -0.21 1.13 7.01 -1.00 0.35 115.95 124.48 3hj9 h TRP 69 Ca 0.17 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3hj9 h TRP 69 Cb 0.03 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 26.85 3hj9 h TRP 69 CO -0.02 0.47 -0.10 0.00 -2.79 0.00 0.00 178.44 176.00 3hj9 h ALA 70 N 1.08 0.07 -0.30 2.65 0.00 -0.32 0.15 119.26 122.58 3hj9 h ALA 70 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3hj9 h ALA 70 Cb 0.07 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hj9 h ALA 70 CO -0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 179.25 178.56 3hj9 h ALA 71 N 1.10 0.42 0.00 0.00 0.00 -0.72 -3.41 119.26 116.64 3hj9 h ALA 71 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hj9 h ALA 71 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hj9 h ALA 71 CO -0.26 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3hj9 n ALA 72 N -2.44 0.73 -1.45 0.00 0.00 0.09 -4.60 120.51 112.84 3hj9 n ALA 72 Ca -0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 3hj9 n ALA 72 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 3hj9 n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hj9 s GLY 73 N -0.04 1.65 -0.11 0.00 0.00 0.51 -4.70 107.32 104.62 3hj9 s GLY 73 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 44.72 44.44 3hj9 s GLY 73 CO 0.00 0.38 0.93 0.14 0.00 0.00 0.00 173.10 174.55 3hj9 s VAL 74 N -3.04 4.84 -0.41 1.40 1.01 -1.26 -1.11 120.40 121.84 3hj9 s VAL 74 Ca 0.60 1.87 0.07 0.00 0.00 0.00 0.00 61.98 64.53 3hj9 s VAL 74 Cb -0.15 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 3hj9 s VAL 74 CO 0.55 0.04 0.35 -0.46 0.00 0.00 0.00 175.10 175.59 3hj9 n ASN 75 N 4.88 0.48 -3.73 3.32 6.94 0.49 -4.88 115.26 122.76 3hj9 n ASN 75 Ca 0.06 -0.74 -0.26 0.00 -0.02 0.00 0.00 54.58 53.62 3hj9 n ASN 75 Cb 0.49 0.89 -0.17 0.00 -2.36 0.00 0.00 39.78 38.63 3hj9 n ASN 75 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3hj9 s ARG 76 N -1.56 0.58 0.15 -3.83 0.52 -1.11 -5.00 118.95 108.70 3hj9 s ARG 76 Ca 0.03 -0.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.86 3hj9 s ARG 76 Cb 0.05 -1.72 0.01 0.00 0.52 0.00 0.00 34.95 33.81 3hj9 s ARG 76 CO 0.27 -0.54 1.80 0.66 0.02 0.00 0.00 175.30 177.52 3hj9 h SER 77 N 8.29 0.47 -2.37 0.23 4.64 -1.91 -2.28 113.55 120.61 3hj9 h SER 77 Ca -0.17 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.55 3hj9 h SER 77 Cb 1.12 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3hj9 h SER 77 CO 0.31 0.35 1.34 -0.22 -0.87 0.00 0.00 176.83 177.73 3hj9 s LEU 78 N -10.13 3.65 0.00 5.97 2.96 -1.26 -2.37 118.68 117.50 3hj9 s LEU 78 Ca -0.13 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3hj9 s LEU 78 Cb 0.11 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.28 3hj9 s LEU 78 CO 0.73 -1.66 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 3hj9 n GLY 79 N 5.34 1.41 3.39 7.98 0.00 -1.26 -4.19 105.19 117.86 3hj9 n GLY 79 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 3hj9 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hj9 n GLY 80 N -2.00 -0.54 3.73 -0.02 0.00 -1.00 -4.96 105.19 100.40 3hj9 n GLY 80 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3hj9 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hj9 n GLY 81 N -1.82 0.69 3.77 -0.02 0.00 -0.89 -4.87 105.19 102.06 3hj9 n GLY 81 Ca -0.04 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3hj9 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hj9 s ARG 82 N -2.74 2.42 0.47 1.61 1.81 -1.26 -0.38 118.95 120.88 3hj9 s ARG 82 Ca 0.69 -1.56 0.31 0.00 -1.72 0.00 0.00 55.73 53.46 3hj9 s ARG 82 Cb -0.43 -2.22 1.33 0.00 -0.45 0.00 0.00 34.95 33.18 3hj9 s ARG 82 CO 0.51 0.03 1.92 1.79 -0.68 0.00 0.00 175.30 178.87 3hj9 h THR 83 N 1.40 0.00 -4.00 0.02 1.35 -1.40 -3.43 112.91 106.85 3hj9 h THR 83 Ca -0.43 -0.37 -0.52 0.00 -0.55 0.00 0.00 66.41 64.53 3hj9 h THR 83 Cb 1.25 1.28 -0.23 0.00 -1.73 0.00 0.00 68.15 68.72 3hj9 h THR 83 CO 0.63 0.00 -0.82 0.00 -0.25 0.00 0.00 175.52 175.08 3hj9 s ALA 84 N -3.59 1.59 0.90 6.62 0.00 -1.26 -5.06 121.76 120.96 3hj9 s ALA 84 Ca 0.01 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3hj9 s ALA 84 Cb 0.09 -0.23 0.13 0.00 0.00 0.00 0.00 23.12 23.11 3hj9 s ALA 84 CO 0.48 0.31 1.10 -1.25 0.00 0.00 0.00 175.76 176.40 3hj9 s PRO 85 N -1.61 1.20 -0.20 0.00 0.04 -1.26 -5.09 135.00 128.09 3hj9 s PRO 85 Ca 0.04 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.48 3hj9 s PRO 85 Cb -0.09 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.68 3hj9 s PRO 85 CO 0.03 -2.23 0.59 -1.54 0.04 0.00 0.00 177.00 173.90 3hj9 s SER 86 N -3.64 -0.61 0.22 6.66 1.04 -1.26 -4.79 113.70 111.31 3hj9 s SER 86 Ca 0.63 1.10 -0.32 0.00 0.48 0.00 0.00 55.95 57.85 3hj9 s SER 86 Cb -0.17 1.11 -0.13 0.00 0.10 0.00 0.00 66.02 66.93 3hj9 s SER 86 CO 0.56 -0.26 1.58 -0.81 0.98 0.00 0.00 173.24 175.29 3hj9 n PRO 87 N 2.49 2.39 -1.09 4.02 -0.04 -1.26 -1.78 135.00 139.73 3hj9 n PRO 87 Ca -0.15 0.86 -0.08 0.00 -0.04 0.00 0.00 63.50 64.10 3hj9 n PRO 87 Cb 0.56 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 3hj9 n PRO 87 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hj9 n TYR 88 N 2.94 -0.11 -0.84 0.54 4.01 -1.26 -2.22 117.16 120.22 3hj9 n TYR 88 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3hj9 n TYR 88 Cb 0.32 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 3hj9 n TYR 88 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hj9 n GLY 89 N 0.26 0.47 3.78 2.72 0.00 -0.73 -4.99 105.19 106.69 3hj9 n GLY 89 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3hj9 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hj9 s GLU 90 N -0.58 4.17 -1.05 1.61 0.41 -0.94 -4.95 118.70 117.37 3hj9 s GLU 90 Ca 0.00 1.55 -0.20 0.00 -0.41 0.00 0.00 54.97 55.91 3hj9 s GLU 90 Cb 0.00 -2.58 0.09 0.00 -1.78 0.00 0.00 34.13 29.86 3hj9 s GLU 90 CO 0.00 -0.15 1.39 0.99 -0.49 0.00 0.00 175.26 177.00 3hj9 s THR 91 N -1.62 4.28 -0.02 3.63 2.01 -1.26 -4.51 115.64 118.16 3hj9 s THR 91 Ca 0.57 -1.31 0.12 0.00 0.31 0.00 0.00 61.69 61.38 3hj9 s THR 91 Cb -0.23 -4.98 -0.03 0.00 0.01 0.00 0.00 72.50 67.27 3hj9 s THR 91 CO 0.29 -1.80 1.42 -0.37 -0.69 0.00 0.00 174.62 173.47 3hj9 h VAL 92 N 6.17 1.19 -3.31 3.82 -1.51 -1.90 -3.45 116.25 117.25 3hj9 h VAL 92 Ca 0.23 -2.58 -0.65 0.00 -1.23 0.00 0.00 66.70 62.47 3hj9 h VAL 92 Cb 0.98 2.52 -0.25 0.00 -2.13 0.00 0.00 31.29 32.42 3hj9 h VAL 92 CO 1.32 0.66 -0.74 -0.63 -1.23 0.00 0.00 177.57 176.95 3hj9 s ILE 93 N -2.95 3.30 -0.09 7.19 -1.09 -1.26 -0.22 121.20 126.08 3hj9 s ILE 93 Ca 0.02 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3hj9 s ILE 93 Cb 0.09 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 3hj9 s ILE 93 CO 0.77 0.52 -0.04 -1.81 -1.23 0.00 0.00 174.94 173.14 3hj9 s ASP 94 N 0.35 4.85 -0.23 3.58 1.01 -0.34 -4.93 116.67 120.96 3hj9 s ASP 94 Ca -0.09 0.00 -0.09 0.00 0.71 0.00 0.00 52.55 53.08 3hj9 s ASP 94 Cb -0.15 -1.39 -0.05 0.00 1.01 0.00 0.00 42.92 42.34 3hj9 s ASP 94 CO 0.05 0.33 0.13 -0.69 0.21 0.00 0.00 175.17 175.19 3hj9 s VAL 95 N -0.58 5.10 0.15 -1.27 1.01 -1.26 -0.95 120.40 122.59 3hj9 s VAL 95 Ca 0.09 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3hj9 s VAL 95 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3hj9 s VAL 95 CO 0.02 0.37 0.04 -0.31 0.00 0.00 0.00 175.10 175.22 3hj9 s TYR 96 N 0.95 2.97 -0.11 5.22 1.51 0.17 -0.88 117.35 127.18 3hj9 s TYR 96 Ca 0.06 -0.07 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 3hj9 s TYR 96 Cb -0.13 -1.46 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 3hj9 s TYR 96 CO 0.03 0.51 -0.08 0.08 -1.11 0.00 0.00 175.55 174.98 3hj9 s VAL 97 N -1.61 1.04 -0.45 0.71 1.01 0.14 -0.54 120.40 120.71 3hj9 s VAL 97 Ca 0.28 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 3hj9 s VAL 97 Cb -0.10 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.25 3hj9 s VAL 97 CO 0.20 0.37 0.65 0.00 0.00 0.00 0.00 175.10 176.32 3hj9 s ALA 98 N 1.70 3.34 0.31 5.51 0.00 0.18 -0.71 121.76 132.09 3hj9 s ALA 98 Ca 0.05 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.79 3hj9 s ALA 98 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3hj9 s ALA 98 CO -0.08 -1.85 0.19 -0.51 0.00 0.00 0.00 175.76 173.50 3hj9 s LEU 99 N 2.84 3.47 0.46 0.00 1.43 0.00 -2.23 118.68 124.66 3hj9 s LEU 99 Ca 0.22 -0.56 0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3hj9 s LEU 99 Cb -0.15 -2.02 1.05 0.00 0.03 0.00 0.00 46.19 45.11 3hj9 s LEU 99 CO 0.18 -0.24 2.08 -0.65 0.23 0.00 0.00 176.35 177.96 3hj9 h PRO 100 N 1.47 0.30 -0.00 1.29 0.11 -1.87 -2.05 132.00 131.25 3hj9 h PRO 100 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hj9 h PRO 100 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hj9 h PRO 100 CO 0.61 0.20 -0.04 0.00 -0.21 0.00 0.00 178.00 178.55 3hj9 n ALA 101 N -2.51 2.50 0.00 -0.75 0.00 -1.09 -0.50 120.51 118.16 3hj9 n ALA 101 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hj9 n ALA 101 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3hj9 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hj9 n GLY 102 N 1.41 3.03 3.67 0.00 0.00 -0.77 -4.25 105.19 108.28 3hj9 n GLY 102 Ca 0.10 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 3hj9 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hj9 s LEU 103 N 0.00 4.17 0.17 0.99 2.96 0.23 -0.82 118.68 126.39 3hj9 s LEU 103 Ca 0.00 0.71 0.10 0.00 -0.22 0.00 0.00 54.13 54.73 3hj9 s LEU 103 Cb 0.00 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3hj9 s LEU 103 CO 0.00 -0.15 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.35 3hj9 s TYR 104 N 1.44 2.11 -0.18 5.38 1.51 0.11 -0.44 117.35 127.28 3hj9 s TYR 104 Ca 0.25 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3hj9 s TYR 104 Cb -0.15 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3hj9 s TYR 104 CO 0.10 0.40 0.02 0.50 -1.11 0.00 0.00 175.55 175.46 3hj9 s ARG 105 N -2.53 3.84 -0.07 -0.62 3.52 0.29 0.29 118.95 123.67 3hj9 s ARG 105 Ca 0.17 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.05 3hj9 s ARG 105 Cb -0.08 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3hj9 s ARG 105 CO 0.08 0.23 1.04 -0.47 -0.81 0.00 0.00 175.30 175.37 3hj9 s TYR 106 N 0.44 3.50 -0.42 5.12 5.04 -0.06 -1.14 117.35 129.83 3hj9 s TYR 106 Ca 0.00 1.55 -0.12 0.00 -2.44 0.00 0.00 57.07 56.06 3hj9 s TYR 106 Cb -0.13 -3.22 0.05 0.00 0.35 0.00 0.00 41.96 39.02 3hj9 s TYR 106 CO 0.01 -0.38 0.28 0.34 -1.34 0.00 0.00 175.55 174.47 3hj9 s ASP 107 N 1.13 5.85 0.22 4.32 -1.08 0.26 -4.58 116.67 122.80 3hj9 s ASP 107 Ca 0.51 -1.23 -0.05 0.00 -0.52 0.00 0.00 52.55 51.26 3hj9 s ASP 107 Cb -0.20 -2.07 0.21 0.00 -1.46 0.00 0.00 42.92 39.40 3hj9 s ASP 107 CO 0.21 -0.51 1.69 -0.65 0.52 0.00 0.00 175.17 176.43 3hj9 h PRO 108 N 8.53 0.88 -0.52 4.34 0.11 -1.85 0.82 132.00 144.32 3hj9 h PRO 108 Ca -0.26 -0.28 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3hj9 h PRO 108 Cb 1.10 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3hj9 h PRO 108 CO 0.76 0.91 0.20 0.28 -0.21 0.00 0.00 178.00 179.94 3hj9 h VAL 109 N 0.81 1.19 -0.02 3.15 2.07 -1.94 -2.96 116.25 118.55 3hj9 h VAL 109 Ca 0.14 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3hj9 h VAL 109 Cb 0.56 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3hj9 h VAL 109 CO 0.03 0.24 -0.02 1.41 0.02 0.00 0.00 177.57 179.26 3hj9 n HIS 110 N -4.34 0.00 -3.87 1.57 8.25 -1.20 -5.02 115.22 110.60 3hj9 n HIS 110 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 3hj9 n HIS 110 Cb 0.16 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.30 3hj9 n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3hj9 n HIS 111 N 0.83 -1.67 -4.07 4.41 -0.00 0.26 -4.90 115.22 110.09 3hj9 n HIS 111 Ca 0.09 0.32 -0.10 0.00 0.46 0.00 0.00 57.72 58.49 3hj9 n HIS 111 Cb 0.39 -3.19 -0.07 0.00 -0.12 0.00 0.00 29.99 27.00 3hj9 n HIS 111 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hj9 s LEU 113 N -3.07 3.28 -0.15 0.00 1.43 -0.25 -0.57 118.68 119.35 3hj9 s LEU 113 Ca 0.28 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3hj9 s LEU 113 Cb 0.02 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3hj9 s LEU 113 CO 0.09 0.17 -0.11 -1.61 0.23 0.00 0.00 176.35 175.12 3hj9 s GLU 114 N 0.39 3.42 0.11 1.70 2.02 -0.29 -1.04 118.70 125.01 3hj9 s GLU 114 Ca -0.04 -0.65 -0.31 0.00 0.02 0.00 0.00 54.97 53.99 3hj9 s GLU 114 Cb -0.14 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.27 3hj9 s GLU 114 CO 0.03 0.16 1.69 -1.17 0.02 0.00 0.00 175.26 175.99 3hj9 s LEU 115 N 0.51 4.38 -0.22 1.80 2.96 -0.27 -0.54 118.68 127.29 3hj9 s LEU 115 Ca -0.08 2.62 -0.04 0.00 -0.22 0.00 0.00 54.13 56.42 3hj9 s LEU 115 Cb -0.15 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 3hj9 s LEU 115 CO 0.04 -0.92 -0.23 1.17 -1.32 0.00 0.00 176.35 175.09 3hj9 n LYS 116 N 5.19 0.51 -3.70 1.98 3.00 0.41 -4.87 118.16 120.69 3hj9 n LYS 116 Ca 0.16 0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 58.52 3hj9 n LYS 116 Cb 0.39 -1.38 -0.11 0.00 0.00 0.00 0.00 35.03 33.93 3hj9 n LYS 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3hj9 s ARG 117 N -2.42 0.33 -1.40 1.64 3.52 -0.78 -4.94 118.95 114.90 3hj9 s ARG 117 Ca -0.30 0.74 -0.15 0.00 -0.13 0.00 0.00 55.73 55.90 3hj9 s ARG 117 Cb 0.09 -0.02 0.03 0.00 -1.56 0.00 0.00 34.95 33.49 3hj9 s ARG 117 CO 0.45 -0.17 2.19 0.00 -0.81 0.00 0.00 175.30 176.96 3hj9 n ALA 118 N 4.39 5.31 -3.46 6.12 0.00 -1.26 -0.60 120.51 131.01 3hj9 n ALA 118 Ca -0.22 -3.84 -0.14 0.00 0.00 0.00 0.00 53.44 49.24 3hj9 n ALA 118 Cb 0.54 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.40 3hj9 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hj9 s ALA 119 N 3.38 -1.66 -0.57 0.00 0.00 -1.26 -4.29 121.76 117.36 3hj9 s ALA 119 Ca 0.48 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 3hj9 s ALA 119 Cb 0.14 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.86 3hj9 s ALA 119 CO -0.07 -0.61 0.77 0.34 0.00 0.00 0.00 175.76 176.20 3hj9 s ASP 120 N -2.12 6.22 -0.26 0.00 2.15 0.45 -2.98 116.67 120.14 3hj9 s ASP 120 Ca -0.04 -0.99 0.13 0.00 0.43 0.00 0.00 52.55 52.09 3hj9 s ASP 120 Cb -0.01 -2.35 0.79 0.00 -0.30 0.00 0.00 42.92 41.06 3hj9 s ASP 120 CO -0.04 -1.13 1.75 0.18 -0.17 0.00 0.00 175.17 175.76 3hj9 n LEU 121 N 6.77 5.73 -4.77 -1.34 4.77 -1.26 -2.25 117.00 124.64 3hj9 n LEU 121 Ca -0.05 -3.02 -0.38 0.00 -0.03 0.00 0.00 56.01 52.53 3hj9 n LEU 121 Cb 0.45 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3hj9 n LEU 121 CO 0.59 0.68 0.83 -0.13 -1.33 0.00 0.00 177.39 178.03 3hj9 s ARG 122 N -2.84 3.95 0.01 3.23 0.52 -1.26 -4.88 118.95 117.67 3hj9 s ARG 122 Ca 0.54 1.80 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 3hj9 s ARG 122 Cb 0.42 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 33.32 3hj9 s ARG 122 CO 0.15 -0.40 0.00 -1.13 0.02 0.00 0.00 175.30 173.94 3hj9 n SER 123 N -0.15 -2.36 0.00 0.23 3.41 -1.26 -5.03 113.62 108.46 3hj9 n SER 123 Ca 0.05 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 3hj9 n SER 123 Cb 0.47 -2.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.00 3hj9 n SER 123 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hj9 n THR 125 N 1.95 0.00 -0.86 6.66 -2.24 -1.26 -5.03 114.28 113.50 3hj9 n THR 125 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hj9 n THR 125 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3hj9 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hj9 n GLY 126 N -0.21 0.79 3.05 3.38 0.00 -1.26 -0.78 105.19 110.15 3hj9 n GLY 126 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3hj9 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj9 s TYR 127 N -3.04 0.67 -0.90 1.61 1.51 -1.26 -0.81 117.35 115.12 3hj9 s TYR 127 Ca 0.00 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 3hj9 s TYR 127 Cb 0.00 -0.40 0.13 0.00 -0.11 0.00 0.00 41.96 41.58 3hj9 s TYR 127 CO 0.00 -0.06 1.10 -1.14 -1.11 0.00 0.00 175.55 174.34 3hj9 s GLN 128 N -1.25 3.56 -0.19 -0.62 2.00 0.55 -4.79 119.66 118.92 3hj9 s GLN 128 Ca -0.07 -1.73 0.15 0.00 -2.00 0.00 0.00 55.36 51.72 3hj9 s GLN 128 Cb -0.08 -4.85 0.67 0.00 0.80 0.00 0.00 33.01 29.55 3hj9 s GLN 128 CO 0.00 -1.75 1.59 -0.40 -0.50 0.00 0.00 175.29 174.23 3hj9 n ASP 129 N 6.52 4.78 -2.64 6.67 5.75 -1.26 -4.24 116.55 132.13 3hj9 n ASP 129 Ca 0.21 -2.87 -0.19 0.00 -0.01 0.00 0.00 54.79 51.93 3hj9 n ASP 129 Cb 0.49 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3hj9 n ASP 129 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3hj9 n PHE 130 N 0.23 -1.41 -3.44 2.11 3.72 -1.26 -4.98 117.46 112.43 3hj9 n PHE 130 Ca 0.24 0.16 -0.38 0.00 -0.05 0.00 0.00 57.45 57.42 3hj9 n PHE 130 Cb 1.01 -3.62 -0.08 0.00 -0.94 0.00 0.00 39.48 35.85 3hj9 n PHE 130 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hj9 s VAL 131 N -2.93 5.22 0.00 -4.37 1.01 -1.26 -4.90 120.40 113.17 3hj9 s VAL 131 Ca 0.10 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3hj9 s VAL 131 Cb -0.05 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3hj9 s VAL 131 CO 0.13 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3hj9 n GLY 132 N 4.17 0.93 0.00 4.51 0.00 0.55 -5.05 105.19 110.30 3hj9 n GLY 132 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hj9 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hj9 n ALA 134 N -3.00 0.00 0.13 4.61 0.00 -1.26 -4.88 120.51 116.11 3hj9 n ALA 134 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3hj9 n ALA 134 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 3hj9 n ALA 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hj9 h PRO 135 N 0.00 0.04 -3.22 0.00 0.11 -1.77 -3.45 132.00 123.72 3hj9 h PRO 135 Ca 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3hj9 h PRO 135 Cb 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 30.96 3hj9 h PRO 135 CO 0.00 0.03 -0.02 -0.48 -0.21 0.00 0.00 178.00 177.32 3hj9 s LEU 136 N -8.98 0.21 -0.04 2.35 0.05 -1.16 -4.40 118.68 106.71 3hj9 s LEU 136 Ca -0.05 -0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.00 3hj9 s LEU 136 Cb 0.18 1.97 -0.01 0.00 -2.05 0.00 0.00 46.19 46.28 3hj9 s LEU 136 CO 0.70 -0.83 -0.19 -1.81 -0.55 0.00 0.00 176.35 173.67 3hj9 s ASP 137 N -2.61 2.32 -0.04 1.48 1.01 -0.95 -1.78 116.67 116.10 3hj9 s ASP 137 Ca 0.01 -0.38 -0.15 0.00 0.71 0.00 0.00 52.55 52.74 3hj9 s ASP 137 Cb 0.01 -0.56 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 3hj9 s ASP 137 CO -0.10 0.18 0.41 -0.76 0.21 0.00 0.00 175.17 175.11 3hj9 s LEU 138 N -0.10 4.41 -0.15 1.23 1.43 0.11 -0.64 118.68 124.97 3hj9 s LEU 138 Ca -0.01 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3hj9 s LEU 138 Cb -0.11 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.53 3hj9 s LEU 138 CO 0.02 0.23 -0.16 -0.69 0.23 0.00 0.00 176.35 175.98 3hj9 s VAL 139 N -0.54 2.64 -0.45 -1.59 1.01 0.30 -0.03 120.40 121.74 3hj9 s VAL 139 Ca 0.23 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 3hj9 s VAL 139 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.16 3hj9 s VAL 139 CO 0.12 0.52 0.44 -0.36 0.00 0.00 0.00 175.10 175.82 3hj9 s PHE 140 N 0.73 3.18 -0.20 5.22 0.40 0.34 -0.66 117.98 126.98 3hj9 s PHE 140 Ca -0.07 -0.57 -0.08 0.00 -0.60 0.00 0.00 56.93 55.61 3hj9 s PHE 140 Cb -0.16 -3.04 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 3hj9 s PHE 140 CO 0.01 -0.77 0.07 0.08 0.70 0.00 0.00 175.22 175.31 3hj9 s VAL 141 N 2.04 4.75 0.02 -0.44 1.01 -0.13 -0.77 120.40 126.88 3hj9 s VAL 141 Ca 0.10 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 3hj9 s VAL 141 Cb -0.20 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3hj9 s VAL 141 CO 0.11 0.42 0.74 0.00 0.00 0.00 0.00 175.10 176.37 3hj9 s ALA 142 N 0.68 3.37 -0.58 5.51 0.00 0.17 -1.20 121.76 129.71 3hj9 s ALA 142 Ca 0.04 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 3hj9 s ALA 142 Cb -0.13 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 20.17 3hj9 s ALA 142 CO 0.02 0.04 0.50 1.21 0.00 0.00 0.00 175.76 177.53 3hj9 s ASN 143 N 0.10 6.09 0.57 0.00 3.84 0.70 -0.54 114.94 125.70 3hj9 s ASN 143 Ca 0.38 -2.08 0.30 0.00 0.21 0.00 0.00 52.86 51.67 3hj9 s ASN 143 Cb -0.20 -2.13 1.71 0.00 -0.55 0.00 0.00 41.25 40.08 3hj9 s ASN 143 CO 0.21 -0.72 2.18 0.45 -2.79 0.00 0.00 177.10 176.43 3hj9 h HIS 144 N 8.40 0.00 0.00 0.43 3.86 -0.91 -2.32 115.15 124.61 3hj9 h HIS 144 Ca -0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3hj9 h HIS 144 Cb 1.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 3hj9 h HIS 144 CO 0.76 0.05 -0.07 0.78 0.86 0.00 0.00 177.93 180.32 3hj9 h GLY 145 N 0.44 0.00 -4.96 2.45 0.00 -1.93 -3.28 103.07 95.79 3hj9 h GLY 145 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3hj9 h GLY 145 CO 0.01 0.00 0.91 0.54 0.00 0.00 0.00 176.54 178.00 3hj9 n ARG 146 N -4.20 3.06 0.00 4.80 1.74 -0.88 -4.95 116.66 116.24 3hj9 n ARG 146 Ca -0.03 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 3hj9 n ARG 146 Cb 0.15 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3hj9 n ARG 146 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hj9 n GLN 148 N 0.54 0.00 -2.14 5.56 1.13 -1.24 -4.94 117.38 116.28 3hj9 n GLN 148 Ca 0.52 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 55.17 3hj9 n GLN 148 Cb 0.40 -1.01 -0.00 0.00 0.11 0.00 0.00 30.24 29.74 3hj9 n GLN 148 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hj9 n GLU 149 N -2.00 4.51 -3.97 -1.09 4.71 -1.26 -5.00 120.64 116.54 3hj9 n GLU 149 Ca 0.00 -3.62 -0.35 0.00 -0.01 0.00 0.00 57.16 53.18 3hj9 n GLU 149 Cb 0.00 -2.66 -0.09 0.00 -1.01 0.00 0.00 31.44 27.68 3hj9 n GLU 149 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 3hj9 s PRO 151 N -1.24 3.89 0.26 3.49 0.02 -1.26 -5.21 135.00 134.96 3hj9 s PRO 151 Ca 0.49 -0.31 -0.02 0.00 0.02 0.00 0.00 61.00 61.19 3hj9 s PRO 151 Cb 0.17 -3.22 0.47 0.00 0.02 0.00 0.00 34.50 31.94 3hj9 s PRO 151 CO -0.07 0.36 1.81 -1.00 -0.33 0.00 0.00 177.00 177.77 3hj9 h PRO 152 N 6.41 0.81 0.00 5.54 0.13 -2.02 -2.09 132.00 140.78 3hj9 h PRO 152 Ca -0.40 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hj9 h PRO 152 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hj9 h PRO 152 CO 0.69 0.54 0.00 1.63 -0.23 0.00 0.00 178.00 180.63 3hj9 n LYS 153 N -4.72 0.10 0.00 0.86 5.02 -1.26 -2.40 118.16 115.76 3hj9 n LYS 153 Ca 0.16 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.96 3hj9 n LYS 153 Cb 0.33 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3hj9 n LYS 153 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hj9 n LEU 154 N -1.93 1.85 -0.24 -0.35 4.77 -0.79 -4.62 117.00 115.69 3hj9 n LEU 154 Ca 0.02 -0.72 -0.07 0.00 -0.03 0.00 0.00 56.01 55.22 3hj9 n LEU 154 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3hj9 n LEU 154 CO 0.15 0.35 1.03 0.03 -1.33 0.00 0.00 177.39 177.62 3hj9 h ARG 155 N 2.01 0.98 -0.27 3.23 3.08 -1.46 -0.18 114.38 121.77 3hj9 h ARG 155 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hj9 h ARG 155 Cb 0.71 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hj9 h ARG 155 CO 0.00 0.79 0.17 1.49 -1.07 0.00 0.00 179.97 181.35 3hj9 h GLU 156 N 0.93 0.36 -0.25 0.04 4.81 -1.82 0.12 114.58 118.77 3hj9 h GLU 156 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3hj9 h GLU 156 Cb 0.15 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hj9 h GLU 156 CO -0.03 0.25 0.13 1.15 -0.73 0.00 0.00 179.01 179.79 3hj9 h THR 157 N 0.35 1.13 -0.42 0.32 2.02 -1.76 -0.88 112.91 113.68 3hj9 h THR 157 Ca 0.10 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 3hj9 h THR 157 Cb -0.02 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3hj9 h THR 157 CO -0.02 0.13 0.11 -0.26 0.37 0.00 0.00 175.52 175.85 3hj9 h PHE 158 N 0.28 0.70 -0.23 3.16 -1.00 -0.89 -0.28 116.94 118.68 3hj9 h PHE 158 Ca 0.09 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 3hj9 h PHE 158 Cb 0.10 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3hj9 h PHE 158 CO -0.03 0.65 0.00 0.66 -1.61 0.00 0.00 178.31 177.99 3hj9 h SER 159 N 0.54 0.40 -0.68 2.17 4.64 -0.94 -1.75 113.55 117.94 3hj9 h SER 159 Ca 0.13 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 3hj9 h SER 159 Cb 0.30 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 3hj9 h SER 159 CO -0.00 0.61 0.22 0.00 -0.87 0.00 0.00 176.83 176.79 3hj9 h ALA 160 N 0.81 0.88 -0.15 5.18 0.00 -1.12 -0.16 119.26 124.70 3hj9 h ALA 160 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hj9 h ALA 160 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hj9 h ALA 160 CO 0.01 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.84 3hj9 h ALA 161 N 1.10 0.20 -0.00 0.00 0.00 -1.02 0.14 119.26 119.67 3hj9 h ALA 161 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hj9 h ALA 161 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hj9 h ALA 161 CO -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.01 3hj9 h ALA 162 N 0.82 -0.08 -0.99 0.00 0.00 -1.27 -0.04 119.26 117.70 3hj9 h ALA 162 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hj9 h ALA 162 Cb 0.28 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3hj9 h ALA 162 CO 0.00 -0.57 0.65 0.00 0.00 0.00 0.00 179.25 179.33 3hj9 h ALA 163 N 0.85 1.29 -0.53 0.00 0.00 -0.96 -2.77 119.26 117.14 3hj9 h ALA 163 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hj9 h ALA 163 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hj9 h ALA 163 CO -0.09 0.58 0.35 0.78 0.00 0.00 0.00 179.25 180.87 3hj9 h GLY 164 N 1.28 0.75 -0.88 0.00 0.00 -0.27 0.19 103.07 104.14 3hj9 h GLY 164 Ca 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hj9 h GLY 164 CO -0.11 0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.70 3hj9 n ALA 165 N -2.24 1.28 0.00 3.60 0.00 -0.07 -0.49 120.51 122.58 3hj9 n ALA 165 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hj9 n ALA 165 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3hj9 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hj9 n ALA 167 N 0.32 0.00 -0.09 0.00 0.00 0.67 -1.31 120.51 120.09 3hj9 n ALA 167 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3hj9 n ALA 167 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 3hj9 n ALA 167 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hj9 h GLU 168 N 0.00 0.78 -0.81 0.00 4.57 -1.02 -0.85 114.58 117.26 3hj9 h GLU 168 Ca 0.00 -0.46 0.10 0.00 -1.18 0.00 0.00 59.36 57.82 3hj9 h GLU 168 Cb 0.00 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.55 3hj9 h GLU 168 CO 0.00 1.09 0.45 -0.91 -1.18 0.00 0.00 179.01 178.46 3hj9 h ASN 169 N 0.54 0.63 -0.37 1.04 2.35 -1.47 -1.57 115.58 116.72 3hj9 h ASN 169 Ca 0.03 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3hj9 h ASN 169 Cb 1.01 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 3hj9 h ASN 169 CO 0.10 0.35 0.08 0.00 -1.65 0.00 0.00 177.43 176.31 3hj9 h ALA 170 N 1.47 0.49 -0.31 -0.83 0.00 -1.77 -0.76 119.26 117.54 3hj9 h ALA 170 Ca 0.40 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3hj9 h ALA 170 Cb 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3hj9 h ALA 170 CO -0.27 0.17 -0.09 1.88 0.00 0.00 0.00 179.25 180.94 3hj9 h TYR 171 N 0.45 -0.21 -0.60 0.00 0.05 -0.85 0.20 116.97 116.02 3hj9 h TYR 171 Ca 0.12 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 3hj9 h TYR 171 Cb 0.32 0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3hj9 h TYR 171 CO 0.02 -0.15 0.21 -0.07 -1.05 0.00 0.00 178.16 177.11 3hj9 h LEU 172 N -0.02 0.86 -0.38 3.88 3.38 -1.20 -1.17 115.31 120.66 3hj9 h LEU 172 Ca 0.15 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hj9 h LEU 172 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hj9 h LEU 172 CO -0.34 0.82 0.23 0.22 0.09 0.00 0.00 178.44 179.47 3hj9 h TYR 173 N 0.85 0.44 -0.84 1.13 3.20 -0.95 -0.26 116.97 120.52 3hj9 h TYR 173 Ca 0.20 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.13 3hj9 h TYR 173 Cb 0.26 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3hj9 h TYR 173 CO 0.02 0.26 0.53 0.00 -1.64 0.00 0.00 178.16 177.33 3hj9 h ALA 175 N 1.38 0.61 -0.53 0.00 0.00 -0.86 0.27 119.26 120.13 3hj9 h ALA 175 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hj9 h ALA 175 Cb 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hj9 h ALA 175 CO -0.15 0.22 0.22 0.66 0.00 0.00 0.00 179.25 180.20 3hj9 h SER 176 N 0.61 0.68 -0.48 0.00 4.64 -0.01 -3.22 113.55 115.78 3hj9 h SER 176 Ca 0.16 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hj9 h SER 176 Cb 0.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3hj9 h SER 176 CO -0.01 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 3hj9 n ALA 177 N -2.46 2.42 -2.19 5.18 0.00 -0.29 -4.97 120.51 118.19 3hj9 n ALA 177 Ca 0.04 -1.05 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 3hj9 n ALA 177 Cb 0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 3hj9 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hj9 n GLY 178 N 1.53 0.03 3.65 0.00 0.00 -0.47 -5.04 105.19 104.89 3hj9 n GLY 178 Ca 0.21 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3hj9 n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hj9 s LEU 179 N -2.47 3.28 0.28 0.99 1.43 0.83 -4.63 118.68 118.39 3hj9 s LEU 179 Ca 0.01 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3hj9 s LEU 179 Cb -0.00 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3hj9 s LEU 179 CO 0.01 0.09 0.54 -0.83 0.23 0.00 0.00 176.35 176.39 3hj9 s GLY 180 N -2.92 1.85 0.02 -3.19 0.00 0.27 -4.09 107.32 99.26 3hj9 s GLY 180 Ca 0.27 -0.59 -0.18 0.00 0.00 0.00 0.00 44.72 44.22 3hj9 s GLY 180 CO 0.18 -0.49 0.40 0.00 0.00 0.00 0.00 173.10 173.19 3hj9 s ALA 181 N -2.07 -0.98 -0.20 3.20 0.00 -1.26 -2.14 121.76 118.30 3hj9 s ALA 181 Ca 0.43 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 3hj9 s ALA 181 Cb -0.11 0.23 0.10 0.00 0.00 0.00 0.00 23.12 23.34 3hj9 s ALA 181 CO 0.30 -0.38 0.41 0.54 0.00 0.00 0.00 175.76 176.63 3hj9 s VAL 182 N -2.00 -0.64 0.29 0.00 0.11 -0.78 -0.44 120.40 116.94 3hj9 s VAL 182 Ca -0.08 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 3hj9 s VAL 182 Cb -0.02 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.05 3hj9 s VAL 182 CO 0.01 0.05 1.05 0.54 -3.33 0.00 0.00 175.10 173.42 3hj9 s VAL 183 N 2.60 3.68 -0.07 2.04 0.11 -1.26 -1.27 120.40 126.23 3hj9 s VAL 183 Ca 0.00 1.61 -0.00 0.00 -2.93 0.00 0.00 61.98 60.66 3hj9 s VAL 183 Cb -0.12 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.76 3hj9 s VAL 183 CO -0.13 0.32 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.80 3hj9 s ARG 184 N -1.59 0.90 -0.01 1.54 0.52 0.10 -4.96 118.95 115.45 3hj9 s ARG 184 Ca 0.46 -0.06 0.12 0.00 -0.52 0.00 0.00 55.73 55.73 3hj9 s ARG 184 Cb -0.29 -1.04 -0.15 0.00 0.52 0.00 0.00 34.95 33.99 3hj9 s ARG 184 CO 0.36 -0.20 0.42 0.41 0.02 0.00 0.00 175.30 176.31 3hj9 n GLY 185 N 4.63 -0.28 3.57 -3.53 0.00 -1.26 -0.47 105.19 107.84 3hj9 n GLY 185 Ca -0.16 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 3hj9 n GLY 185 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hj9 s TRP 186 N -2.39 2.37 -0.09 1.61 0.52 -1.26 -4.93 118.94 114.77 3hj9 s TRP 186 Ca 0.01 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.61 3hj9 s TRP 186 Cb 0.09 -4.48 -0.00 0.00 -1.15 0.00 0.00 33.47 27.92 3hj9 s TRP 186 CO 0.49 -1.76 -0.24 -0.51 0.02 0.00 0.00 176.95 174.95 3hj9 s LEU 187 N 6.66 2.08 -1.00 2.99 1.43 -1.26 -4.51 118.68 125.07 3hj9 s LEU 187 Ca 0.56 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 3hj9 s LEU 187 Cb -0.00 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.88 3hj9 s LEU 187 CO -0.00 0.18 1.43 0.21 0.23 0.00 0.00 176.35 178.39 3hj9 s ASN 188 N 0.23 6.49 0.16 2.29 3.84 0.04 -4.88 114.94 123.10 3hj9 s ASN 188 Ca -0.15 -1.43 -0.14 0.00 0.21 0.00 0.00 52.86 51.34 3hj9 s ASN 188 Cb -0.17 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.02 3hj9 s ASN 188 CO 0.08 -1.50 1.78 0.03 -2.79 0.00 0.00 177.10 174.69 3hj9 h ARG 189 N 9.77 0.69 -0.57 0.43 3.08 -1.88 -0.67 114.38 125.23 3hj9 h ARG 189 Ca 0.18 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3hj9 h ARG 189 Cb 1.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3hj9 h ARG 189 CO 1.41 0.53 0.05 0.00 -1.07 0.00 0.00 179.97 180.89 3hj9 h ARG 190 N 0.67 0.98 -0.19 0.04 3.08 -1.94 0.88 114.38 117.89 3hj9 h ARG 190 Ca 0.18 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3hj9 h ARG 190 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hj9 h ARG 190 CO -0.03 0.95 0.06 0.37 -1.07 0.00 0.00 179.97 180.25 3hj9 h GLN 191 N 0.87 0.30 -0.66 0.04 4.15 -1.93 -1.79 115.11 116.09 3hj9 h GLN 191 Ca 0.17 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3hj9 h GLN 191 Cb 0.48 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3hj9 h GLN 191 CO 0.02 0.41 0.15 1.25 -1.93 0.00 0.00 178.83 178.73 3hj9 h LEU 192 N 0.13 1.02 -0.64 -2.39 5.85 -1.05 -1.81 115.31 116.42 3hj9 h LEU 192 Ca 0.06 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3hj9 h LEU 192 Cb 0.24 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3hj9 h LEU 192 CO -0.00 0.99 0.40 0.00 -0.34 0.00 0.00 178.44 179.49 3hj9 h ALA 193 N 1.06 0.84 -0.19 1.25 0.00 -0.73 -2.57 119.26 118.92 3hj9 h ALA 193 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hj9 h ALA 193 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hj9 h ALA 193 CO 0.01 0.16 0.12 1.49 0.00 0.00 0.00 179.25 181.02 3hj9 h GLU 194 N 0.79 0.25 -1.95 0.00 4.57 -1.12 -2.08 114.58 115.03 3hj9 h GLU 194 Ca 0.26 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3hj9 h GLU 194 Cb 0.01 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3hj9 h GLU 194 CO -0.10 0.19 0.00 0.72 -1.18 0.00 0.00 179.01 178.64 3hj9 n HIS 195 N -4.94 0.00 -2.47 0.92 8.25 -0.70 -4.67 115.22 111.62 3hj9 n HIS 195 Ca -0.04 -0.02 -0.02 0.00 -0.26 0.00 0.00 57.72 57.39 3hj9 n HIS 195 Cb 0.04 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.09 3hj9 n HIS 195 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hj9 n SER 197 N 0.98 -0.77 -4.81 0.41 7.64 -0.84 -5.03 113.62 111.21 3hj9 n SER 197 Ca 0.00 -1.58 -0.32 0.00 1.01 0.00 0.00 58.87 57.98 3hj9 n SER 197 Cb 0.02 0.35 0.03 0.00 -1.01 0.00 0.00 64.21 63.59 3hj9 n SER 197 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hj9 s LEU 198 N -1.92 3.34 0.84 -3.43 1.43 -0.87 -5.05 118.68 113.02 3hj9 s LEU 198 Ca 0.04 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 3hj9 s LEU 198 Cb 0.21 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 42.01 3hj9 s LEU 198 CO -0.06 -1.25 1.10 0.20 0.23 0.00 0.00 176.35 176.57 3hj9 s ASN 199 N -3.26 4.09 0.30 2.29 0.01 -1.26 -4.90 114.94 112.20 3hj9 s ASN 199 Ca 0.61 1.33 0.02 0.00 -0.71 0.00 0.00 52.86 54.10 3hj9 s ASN 199 Cb -0.15 -2.03 0.57 0.00 0.41 0.00 0.00 41.25 40.05 3hj9 s ASN 199 CO 0.45 -2.23 1.86 -0.33 -1.51 0.00 0.00 177.10 175.34 3hj9 h GLU 200 N -1.27 0.95 -0.06 -0.60 5.08 -2.00 -2.28 114.58 114.40 3hj9 h GLU 200 Ca -0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3hj9 h GLU 200 Cb 1.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hj9 h GLU 200 CO 0.58 0.63 0.00 -0.40 -1.00 0.00 0.00 179.01 178.82 3hj9 n ASP 201 N -4.57 0.35 -4.40 1.42 5.68 -1.26 -4.82 116.55 108.96 3hj9 n ASP 201 Ca 0.17 -1.86 -0.34 0.00 -0.50 0.00 0.00 54.79 52.26 3hj9 n ASP 201 Cb 0.32 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.13 3hj9 n ASP 201 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3hj9 s GLU 202 N -1.92 3.50 -0.13 0.11 2.02 -0.86 -0.23 118.70 121.19 3hj9 s GLU 202 Ca 0.11 -0.59 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 3hj9 s GLU 202 Cb 0.05 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.36 3hj9 s GLU 202 CO 0.08 0.02 -0.11 -2.00 0.02 0.00 0.00 175.26 173.27 3hj9 s GLU 203 N 0.94 1.92 0.19 1.61 2.12 0.30 -4.75 118.70 121.03 3hj9 s GLU 203 Ca -0.00 -0.41 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 3hj9 s GLU 203 Cb -0.15 -1.85 -0.10 0.00 0.26 0.00 0.00 34.13 32.29 3hj9 s GLU 203 CO 0.01 -0.25 1.57 -2.14 -0.54 0.00 0.00 175.26 173.91 3hj9 s PRO 204 N 1.59 4.20 -0.17 4.30 0.02 -1.26 0.42 135.00 144.10 3hj9 s PRO 204 Ca 0.05 2.40 -0.07 0.00 0.02 0.00 0.00 61.00 63.40 3hj9 s PRO 204 Cb -0.13 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.19 3hj9 s PRO 204 CO -0.09 -0.60 -0.20 -0.89 -0.33 0.00 0.00 177.00 174.88 3hj9 n ILE 205 N 3.59 0.91 -3.91 2.83 2.08 0.05 -4.84 119.36 120.07 3hj9 n ILE 205 Ca 0.13 -0.25 -0.10 0.00 0.56 0.00 0.00 62.75 63.08 3hj9 n ILE 205 Cb 0.38 -1.61 -0.10 0.00 -0.75 0.00 0.00 39.64 37.57 3hj9 n ILE 205 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3hj9 s LEU 206 N -6.73 1.75 0.38 1.39 1.43 -1.21 -4.78 118.68 110.91 3hj9 s LEU 206 Ca -0.23 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3hj9 s LEU 206 Cb 0.08 0.57 -0.07 0.00 0.03 0.00 0.00 46.19 46.81 3hj9 s LEU 206 CO 0.31 -0.43 -0.02 -0.94 0.23 0.00 0.00 176.35 175.50 3hj9 s SER 207 N -1.73 3.89 -0.16 2.29 1.04 0.38 -0.51 113.70 118.91 3hj9 s SER 207 Ca -0.11 -1.25 -0.06 0.00 0.48 0.00 0.00 55.95 55.02 3hj9 s SER 207 Cb -0.05 -0.40 0.07 0.00 0.10 0.00 0.00 66.02 65.74 3hj9 s SER 207 CO -0.01 -0.34 0.32 -1.58 0.98 0.00 0.00 173.24 172.61 3hj9 s GLN 208 N -3.69 0.22 -0.19 4.02 0.74 0.96 0.00 119.66 121.72 3hj9 s GLN 208 Ca 0.34 0.86 -0.17 0.00 0.05 0.00 0.00 55.36 56.44 3hj9 s GLN 208 Cb 0.06 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 3hj9 s GLN 208 CO 0.18 -0.27 0.44 0.99 -0.55 0.00 0.00 175.29 176.08 3hj9 s THR 209 N 2.47 5.17 -0.01 -0.34 2.01 -0.40 0.06 115.64 124.61 3hj9 s THR 209 Ca -0.00 0.80 0.04 0.00 0.31 0.00 0.00 61.69 62.84 3hj9 s THR 209 Cb -0.12 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3hj9 s THR 209 CO -0.10 0.24 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.32 3hj9 s ILE 210 N 1.30 0.91 0.00 1.82 1.01 -0.73 -1.86 121.20 123.66 3hj9 s ILE 210 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3hj9 s ILE 210 Cb -0.15 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.56 3hj9 s ILE 210 CO 0.09 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3hj9 n GLY 211 N 2.78 -1.05 3.77 6.18 0.00 -0.91 -2.97 105.19 112.99 3hj9 n GLY 211 Ca -0.14 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3hj9 n GLY 211 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hj9 s ARG 212 N -2.00 4.39 0.51 1.61 0.52 -1.26 0.96 118.95 123.68 3hj9 s ARG 212 Ca 0.00 2.16 -0.22 0.00 -0.52 0.00 0.00 55.73 57.15 3hj9 s ARG 212 Cb 0.00 -3.09 -0.06 0.00 0.52 0.00 0.00 34.95 32.32 3hj9 s ARG 212 CO 0.00 -0.15 1.31 0.00 0.02 0.00 0.00 175.30 176.48 3hj9 s ALA 213 N -1.07 2.89 0.70 2.13 0.00 -1.26 -0.22 121.76 124.92 3hj9 s ALA 213 Ca 0.49 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 3hj9 s ALA 213 Cb -0.39 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.23 3hj9 s ALA 213 CO 0.51 -1.15 1.21 0.00 0.00 0.00 0.00 175.76 176.32 3hj9 n ALA 214 N -0.81 0.59 0.38 0.00 0.00 -0.23 -4.09 120.51 116.36 3hj9 n ALA 214 Ca 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3hj9 n ALA 214 Cb 0.46 -2.26 0.45 0.00 0.00 0.00 0.00 19.45 18.09 3hj9 n ALA 214 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hj9 n SER 215 N -2.18 0.49 0.00 0.00 7.64 -1.26 -4.92 113.62 113.40 3hj9 n SER 215 Ca 0.15 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.66 3hj9 n SER 215 Cb 0.49 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3hj9 n SER 215 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44