#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjm s TYR 3 N 0.00 3.49 -0.07 0.54 2.02 -1.26 -1.00 117.35 121.08 3hjm s TYR 3 Ca 0.00 0.46 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 3hjm s TYR 3 Cb 0.00 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3hjm s TYR 3 CO 0.00 0.45 -0.11 0.99 -1.57 0.00 0.00 175.55 175.32 3hjm s THR 4 N -0.17 1.07 -0.25 -0.71 2.01 -0.10 -0.57 115.64 116.93 3hjm s THR 4 Ca 0.12 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3hjm s THR 4 Cb -0.12 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 3hjm s THR 4 CO 0.01 0.35 0.19 -0.69 -0.69 0.00 0.00 174.62 173.79 3hjm s VAL 5 N 0.85 5.33 -0.28 3.82 1.01 0.65 -1.28 120.40 130.50 3hjm s VAL 5 Ca -0.11 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3hjm s VAL 5 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hjm s VAL 5 CO 0.02 0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3hjm s VAL 6 N 1.24 3.51 0.26 2.92 1.01 0.42 0.13 120.40 129.90 3hjm s VAL 6 Ca 0.09 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 3hjm s VAL 6 Cb -0.14 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3hjm s VAL 6 CO 0.06 0.12 0.61 -0.47 0.00 0.00 0.00 175.10 175.43 3hjm s TYR 7 N 1.42 0.04 0.88 5.22 5.04 -0.73 -1.91 117.35 127.31 3hjm s TYR 7 Ca 0.01 -0.45 -0.11 0.00 -2.44 0.00 0.00 57.07 54.09 3hjm s TYR 7 Cb -0.17 0.48 0.12 0.00 0.35 0.00 0.00 41.96 42.74 3hjm s TYR 7 CO -0.00 -1.12 1.10 -0.06 -1.34 0.00 0.00 175.55 174.13 3hjm s PHE 8 N -3.96 2.13 -0.76 4.97 0.08 -1.26 -0.72 117.98 118.46 3hjm s PHE 8 Ca 0.16 1.53 -0.13 0.00 0.12 0.00 0.00 56.93 58.61 3hjm s PHE 8 Cb -0.04 -3.17 -0.10 0.00 -0.57 0.00 0.00 43.02 39.14 3hjm s PHE 8 CO 0.07 -2.41 1.94 -0.35 -0.10 0.00 0.00 175.22 174.37 3hjm n PRO 9 N -3.94 1.63 -3.79 0.24 -0.04 -1.26 -4.80 135.00 123.05 3hjm n PRO 9 Ca 0.09 -1.54 -0.10 0.00 -0.04 0.00 0.00 63.50 61.91 3hjm n PRO 9 Cb 0.53 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 3hjm n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hjm s VAL 10 N 4.31 0.12 -0.03 0.52 0.11 -1.26 -4.43 120.40 119.73 3hjm s VAL 10 Ca 0.45 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.50 3hjm s VAL 10 Cb 0.11 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3hjm s VAL 10 CO 0.05 -0.53 0.35 0.03 -3.33 0.00 0.00 175.10 171.67 3hjm h ARG 11 N 2.78 -0.19 0.00 1.54 3.08 -0.99 -3.46 114.38 117.15 3hjm h ARG 11 Ca -0.34 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3hjm h ARG 11 Cb 1.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hjm h ARG 11 CO 0.52 -0.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 3hjm n GLY 12 N 1.01 2.37 0.00 0.04 0.00 0.07 -1.27 105.19 107.42 3hjm n GLY 12 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3hjm n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjm n ARG 13 N 14.00 0.88 -0.00 1.61 1.74 -1.26 -3.21 116.66 130.42 3hjm n ARG 13 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 3hjm n ARG 13 Cb 0.00 -1.25 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 3hjm n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hjm h ALA 15 N 2.10 0.55 -0.49 0.00 0.00 -1.31 -2.38 119.26 117.74 3hjm h ALA 15 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3hjm h ALA 15 Cb 0.51 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hjm h ALA 15 CO 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 179.25 178.69 3hjm h ALA 16 N 1.46 0.68 -0.05 0.00 0.00 -1.83 -1.88 119.26 117.63 3hjm h ALA 16 Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3hjm h ALA 16 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hjm h ALA 16 CO -0.41 0.66 -0.47 1.37 0.00 0.00 0.00 179.25 180.40 3hjm h LEU 17 N 0.85 0.13 -0.21 0.00 8.10 -1.81 -1.08 115.31 121.29 3hjm h LEU 17 Ca 0.11 -0.06 -0.10 0.00 0.11 0.00 0.00 57.88 57.95 3hjm h LEU 17 Cb 0.78 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.96 3hjm h LEU 17 CO 0.06 0.58 -0.25 0.03 -4.11 0.00 0.00 178.44 174.75 3hjm h ARG 18 N 0.10 0.55 -0.31 0.17 3.08 -1.34 -0.73 114.38 115.90 3hjm h ARG 18 Ca 0.00 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.77 3hjm h ARG 18 Cb 0.86 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3hjm h ARG 18 CO 0.07 0.90 0.16 0.52 -1.07 0.00 0.00 179.97 180.55 3hjm h MET 19 N 0.23 0.33 -0.07 0.04 2.86 -1.15 -0.59 114.93 116.58 3hjm h MET 19 Ca 0.03 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3hjm h MET 19 Cb 0.82 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 3hjm h MET 19 CO 0.06 0.22 -0.24 1.25 1.06 0.00 0.00 176.91 179.26 3hjm h LEU 20 N 0.34 -0.72 -0.45 1.22 6.46 -1.12 0.12 115.31 121.16 3hjm h LEU 20 Ca 0.13 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 3hjm h LEU 20 Cb 0.03 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 3hjm h LEU 20 CO -0.08 -0.30 0.21 -0.07 -0.62 0.00 0.00 178.44 177.58 3hjm h LEU 21 N -0.33 0.61 0.20 2.25 3.38 -0.95 -0.32 115.31 120.15 3hjm h LEU 21 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hjm h LEU 21 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hjm h LEU 21 CO -0.26 0.58 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 3hjm h ALA 22 N 1.05 -0.27 -0.54 1.53 0.00 -1.05 0.16 119.26 120.14 3hjm h ALA 22 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hjm h ALA 22 Cb 0.15 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hjm h ALA 22 CO -0.02 -0.64 0.36 0.22 0.00 0.00 0.00 179.25 179.18 3hjm h ASP 23 N -0.30 0.55 -0.25 0.00 3.58 -0.59 -1.58 116.42 117.82 3hjm h ASP 23 Ca -0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3hjm h ASP 23 Cb 0.23 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.15 3hjm h ASP 23 CO 0.05 0.38 0.00 0.00 -2.88 0.00 0.00 179.24 176.79 3hjm n GLN 24 N -4.47 1.64 -2.24 0.28 1.13 -0.14 -4.79 117.38 108.80 3hjm n GLN 24 Ca 0.06 -0.99 -0.16 0.00 -1.94 0.00 0.00 57.00 53.97 3hjm n GLN 24 Cb 0.12 -1.25 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 3hjm n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hjm n GLY 25 N 0.98 -0.15 3.86 1.08 0.00 -0.59 -5.00 105.19 105.37 3hjm n GLY 25 Ca 0.11 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3hjm n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjm s GLN 26 N -4.68 3.77 0.14 1.61 -1.52 0.01 -5.03 119.66 113.96 3hjm s GLN 26 Ca 0.00 0.20 -0.06 0.00 -1.95 0.00 0.00 55.36 53.55 3hjm s GLN 26 Cb 0.00 -3.09 -0.06 0.00 -0.22 0.00 0.00 33.01 29.65 3hjm s GLN 26 CO 0.00 0.62 0.40 -1.54 -0.25 0.00 0.00 175.29 174.52 3hjm s SER 27 N -1.50 6.53 0.26 5.90 1.04 -1.26 -4.45 113.70 120.22 3hjm s SER 27 Ca 0.28 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 3hjm s SER 27 Cb -0.15 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 3hjm s SER 27 CO 0.15 0.06 0.51 -1.66 0.98 0.00 0.00 173.24 173.29 3hjm s TRP 28 N -1.63 0.32 -0.02 5.02 -2.14 -1.26 -4.48 118.94 114.75 3hjm s TRP 28 Ca 0.40 -0.69 0.03 0.00 2.66 0.00 0.00 56.10 58.50 3hjm s TRP 28 Cb -0.12 0.25 -0.03 0.00 -3.10 0.00 0.00 33.47 30.47 3hjm s TRP 28 CO 0.23 -1.04 -0.10 0.21 -2.66 0.00 0.00 176.95 173.59 3hjm s LYS 29 N -3.94 2.53 -0.26 3.25 2.20 0.27 -5.01 119.74 118.78 3hjm s LYS 29 Ca 0.21 -0.70 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 3hjm s LYS 29 Cb -0.01 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 3hjm s LYS 29 CO 0.09 0.62 0.15 -1.21 -0.36 0.00 0.00 175.35 174.64 3hjm s GLU 30 N -1.12 3.90 -0.30 4.03 0.41 -1.26 -0.26 118.70 124.10 3hjm s GLU 30 Ca 0.14 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.29 3hjm s GLU 30 Cb -0.11 -3.53 0.01 0.00 -1.78 0.00 0.00 34.13 28.72 3hjm s GLU 30 CO 0.04 -0.11 0.09 -1.21 -0.49 0.00 0.00 175.26 173.58 3hjm s GLU 31 N 1.51 3.00 -0.14 1.61 2.02 0.12 -4.96 118.70 121.87 3hjm s GLU 31 Ca 0.07 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 3hjm s GLU 31 Cb -0.15 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 3hjm s GLU 31 CO 0.07 -0.49 0.42 0.08 0.02 0.00 0.00 175.26 175.37 3hjm s VAL 32 N 1.48 5.22 -0.24 2.63 1.01 -1.26 -1.77 120.40 127.47 3hjm s VAL 32 Ca 0.02 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 3hjm s VAL 32 Cb -0.18 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3hjm s VAL 32 CO 0.03 0.33 0.06 -0.69 0.00 0.00 0.00 175.10 174.83 3hjm s VAL 33 N 0.66 4.31 0.64 2.92 1.01 0.10 -4.95 120.40 125.08 3hjm s VAL 33 Ca 0.23 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3hjm s VAL 33 Cb -0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3hjm s VAL 33 CO 0.08 0.35 1.04 0.42 0.00 0.00 0.00 175.10 177.00 3hjm s THR 34 N 1.48 4.43 0.28 3.92 -4.23 -1.26 -4.05 115.64 116.21 3hjm s THR 34 Ca 0.06 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 61.36 3hjm s THR 34 Cb -0.15 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.19 3hjm s THR 34 CO 0.03 -1.03 1.82 0.58 -0.54 0.00 0.00 174.62 175.48 3hjm h VAL 35 N -0.39 0.86 0.23 2.29 2.07 -1.99 -0.64 116.25 118.68 3hjm h VAL 35 Ca -0.44 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hjm h VAL 35 Cb 1.20 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3hjm h VAL 35 CO 0.62 0.17 -0.12 -0.33 0.02 0.00 0.00 177.57 177.93 3hjm h GLU 36 N 0.91 -0.31 -0.79 1.57 3.07 -1.98 0.26 114.58 117.31 3hjm h GLU 36 Ca 0.50 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.46 3hjm h GLU 36 Cb 0.58 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.49 3hjm h GLU 36 CO -0.30 -0.20 0.45 1.15 -1.40 0.00 0.00 179.01 178.71 3hjm h THR 37 N -0.32 0.95 -0.48 1.13 2.02 -1.88 -2.13 112.91 112.20 3hjm h THR 37 Ca -0.03 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 3hjm h THR 37 Cb 0.25 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3hjm h THR 37 CO 0.05 0.14 -0.07 -0.25 0.37 0.00 0.00 175.52 175.76 3hjm h TRP 38 N 0.79 0.98 0.00 3.16 2.91 -0.61 -3.04 115.95 120.15 3hjm h TRP 38 Ca 0.37 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3hjm h TRP 38 Cb 0.28 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3hjm h TRP 38 CO -0.06 0.95 0.00 1.96 -1.03 0.00 0.00 178.44 180.26 3hjm h GLN 39 N 0.73 0.00 -0.19 2.65 4.20 -0.33 -2.96 115.11 119.22 3hjm h GLN 39 Ca 0.13 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 3hjm h GLN 39 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3hjm h GLN 39 CO 0.04 0.00 -0.40 1.49 -0.67 0.00 0.00 178.83 179.29 3hjm h GLU 40 N 0.00 0.42 0.00 1.46 4.22 -1.26 -3.48 114.58 115.94 3hjm h GLU 40 Ca 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.23 3hjm h GLU 40 Cb 0.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hjm h GLU 40 CO 0.00 0.75 0.00 0.41 -2.18 0.00 0.00 179.01 177.99 3hjm n GLY 41 N -0.11 1.83 0.16 1.92 0.00 -1.12 -4.98 105.19 102.89 3hjm n GLY 41 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3hjm n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hjm h SER 42 N 0.00 0.85 0.08 1.61 4.64 -1.85 -1.97 113.55 116.91 3hjm h SER 42 Ca 0.00 -0.86 0.01 0.00 -0.47 0.00 0.00 61.79 60.46 3hjm h SER 42 Cb 0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3hjm h SER 42 CO 0.00 1.67 -0.10 0.25 -0.87 0.00 0.00 176.83 177.78 3hjm h LEU 43 N 0.19 -0.27 -0.75 5.97 5.85 -1.92 -2.69 115.31 121.70 3hjm h LEU 43 Ca -0.23 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.69 3hjm h LEU 43 Cb 2.08 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 43.09 3hjm h LEU 43 CO 0.26 -0.15 0.12 0.50 -0.34 0.00 0.00 178.44 178.83 3hjm h LYS 44 N -0.21 0.19 -0.28 1.25 3.64 -1.85 -0.91 116.57 118.42 3hjm h LYS 44 Ca 0.01 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3hjm h LYS 44 Cb 0.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hjm h LYS 44 CO -0.04 0.13 0.19 0.00 -2.27 0.00 0.00 179.45 177.45 3hjm h ALA 45 N 1.66 2.02 0.00 5.00 0.00 -1.22 -2.01 119.26 124.70 3hjm h ALA 45 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hjm h ALA 45 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hjm h ALA 45 CO -0.58 -0.07 -0.35 -1.13 0.00 0.00 0.00 179.25 177.12 3hjm n SER 46 N -4.49 0.53 -4.71 0.00 3.41 -0.41 -4.83 113.62 103.12 3hjm n SER 46 Ca 0.02 0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.40 3hjm n SER 46 Cb 0.21 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3hjm n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjm h LEU 48 N 6.67 -1.86 -3.33 0.00 5.85 -1.88 -0.56 115.31 120.21 3hjm h LEU 48 Ca -0.42 0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hjm h LEU 48 Cb 1.22 0.87 0.00 0.00 0.37 0.00 0.00 40.66 43.11 3hjm h LEU 48 CO 0.79 -0.26 0.00 -1.22 -0.34 0.00 0.00 178.44 177.41 3hjm n TYR 49 N -5.34 1.22 -2.19 1.25 4.01 -1.26 -4.96 117.16 109.88 3hjm n TYR 49 Ca 0.05 -0.83 -0.19 0.00 -0.16 0.00 0.00 57.90 56.77 3hjm n TYR 49 Cb 0.32 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 38.97 3hjm n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hjm n GLY 50 N -0.21 0.05 3.17 2.72 0.00 -0.22 -5.01 105.19 105.70 3hjm n GLY 50 Ca 0.23 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3hjm n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjm s GLN 51 N -4.66 0.84 0.25 1.61 -0.21 -1.26 -4.94 119.66 111.27 3hjm s GLN 51 Ca 0.00 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.12 3hjm s GLN 51 Cb 0.00 -0.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.75 3hjm s GLN 51 CO 0.00 -0.01 0.25 -0.51 -2.12 0.00 0.00 175.29 172.89 3hjm s LEU 52 N -3.02 3.97 0.52 2.90 1.43 -1.26 -4.64 118.68 118.58 3hjm s LEU 52 Ca 0.12 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 3hjm s LEU 52 Cb 0.05 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 3hjm s LEU 52 CO -0.04 -0.05 1.27 -2.16 0.23 0.00 0.00 176.35 175.60 3hjm s PRO 53 N -3.88 3.35 -0.08 1.29 0.04 -1.26 -4.96 135.00 129.51 3hjm s PRO 53 Ca 0.33 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3hjm s PRO 53 Cb -0.08 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3hjm s PRO 53 CO 0.26 -0.96 -0.05 0.21 0.04 0.00 0.00 177.00 176.50 3hjm s LYS 54 N -2.87 2.86 -0.02 4.56 2.20 -0.80 -3.98 119.74 121.69 3hjm s LYS 54 Ca 0.69 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 3hjm s LYS 54 Cb -0.35 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3hjm s LYS 54 CO 0.42 0.64 -0.07 0.12 -0.36 0.00 0.00 175.35 176.10 3hjm s PHE 55 N -0.73 0.68 -0.10 4.03 5.36 -0.17 -0.43 117.98 126.63 3hjm s PHE 55 Ca 0.11 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.97 3hjm s PHE 55 Cb -0.11 -0.49 0.00 0.00 -0.34 0.00 0.00 43.02 42.08 3hjm s PHE 55 CO 0.02 -0.06 -0.21 -0.65 -1.46 0.00 0.00 175.22 172.86 3hjm s GLN 56 N 0.11 2.70 -0.38 10.12 -0.21 -0.41 -0.14 119.66 131.45 3hjm s GLN 56 Ca -0.01 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.63 3hjm s GLN 56 Cb -0.06 -2.08 0.11 0.00 1.00 0.00 0.00 33.01 31.98 3hjm s GLN 56 CO -0.00 0.12 0.15 0.34 -2.12 0.00 0.00 175.29 173.78 3hjm s ASP 57 N 0.48 4.14 1.55 5.90 -1.08 0.09 -0.92 116.67 126.82 3hjm s ASP 57 Ca -0.17 -2.23 0.00 0.00 -0.52 0.00 0.00 52.55 49.63 3hjm s ASP 57 Cb -0.17 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 3hjm s ASP 57 CO 0.07 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.03 3hjm n GLY 58 N 4.10 3.37 0.38 2.66 0.00 -0.17 -1.40 105.19 114.12 3hjm n GLY 58 Ca 0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3hjm n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjm n ASP 59 N 4.03 1.15 -4.65 1.61 5.75 -1.26 -4.79 116.55 118.39 3hjm n ASP 59 Ca 0.00 -1.57 -0.42 0.00 -0.01 0.00 0.00 54.79 52.79 3hjm n ASP 59 Cb 0.00 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 3hjm n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3hjm s LEU 60 N -1.66 4.09 -0.16 -2.12 2.96 -0.49 -5.03 118.68 116.26 3hjm s LEU 60 Ca 0.33 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.39 3hjm s LEU 60 Cb 0.17 -3.34 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 3hjm s LEU 60 CO 0.27 -0.57 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.81 3hjm s THR 61 N 2.95 3.99 0.10 3.68 2.01 -1.26 -0.73 115.64 126.37 3hjm s THR 61 Ca 0.39 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.15 3hjm s THR 61 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3hjm s THR 61 CO 0.07 0.48 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.52 3hjm s LEU 62 N 0.46 2.30 0.23 4.42 1.43 0.80 -4.99 118.68 123.33 3hjm s LEU 62 Ca -0.03 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 3hjm s LEU 62 Cb -0.14 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 3hjm s LEU 62 CO 0.02 0.03 0.01 -0.31 0.23 0.00 0.00 176.35 176.34 3hjm s TYR 63 N -1.21 1.55 -0.00 0.29 2.02 -1.26 -1.00 117.35 117.74 3hjm s TYR 63 Ca 0.05 -0.95 -0.00 0.00 -0.37 0.00 0.00 57.07 55.80 3hjm s TYR 63 Cb -0.10 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3hjm s TYR 63 CO 0.04 -0.07 0.00 1.04 -1.57 0.00 0.00 175.55 174.99 3hjm n GLN 64 N -0.42 -0.06 -0.31 -0.62 1.13 -1.26 -4.60 117.38 111.25 3hjm n GLN 64 Ca -0.05 0.54 0.18 0.00 -1.94 0.00 0.00 57.00 55.74 3hjm n GLN 64 Cb 0.64 -0.65 0.45 0.00 0.11 0.00 0.00 30.24 30.79 3hjm n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hjm h SER 65 N 0.05 0.55 1.17 1.08 4.64 -1.89 -1.48 113.55 117.68 3hjm h SER 65 Ca -0.00 0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3hjm h SER 65 Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3hjm h SER 65 CO 0.00 0.17 -0.50 0.78 -0.87 0.00 0.00 176.83 176.42 3hjm h ASN 66 N 0.52 0.00 0.10 4.97 2.35 -1.93 -1.79 115.58 119.80 3hjm h ASN 66 Ca 0.55 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.30 3hjm h ASN 66 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3hjm h ASN 66 CO -0.29 0.50 -0.05 0.74 -1.65 0.00 0.00 177.43 176.68 3hjm h THR 67 N 0.00 0.92 -0.40 2.81 2.02 -1.55 -1.16 112.91 115.55 3hjm h THR 67 Ca -0.00 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.17 3hjm h THR 67 Cb 1.22 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3hjm h THR 67 CO 0.06 0.01 0.14 0.40 0.37 0.00 0.00 175.52 176.51 3hjm h ILE 68 N -0.15 0.87 -0.37 3.11 2.04 -1.29 0.11 117.51 121.83 3hjm h ILE 68 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3hjm h ILE 68 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3hjm h ILE 68 CO 0.02 0.05 0.16 -0.07 0.00 0.00 0.00 178.15 178.32 3hjm h LEU 69 N 0.30 0.22 -0.71 1.44 3.38 -1.30 -0.56 115.31 118.07 3hjm h LEU 69 Ca 0.19 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3hjm h LEU 69 Cb 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hjm h LEU 69 CO -0.20 0.16 0.07 0.03 0.09 0.00 0.00 178.44 178.60 3hjm h ARG 70 N 0.34 1.06 -0.11 1.13 3.08 -0.79 0.74 114.38 119.82 3hjm h ARG 70 Ca 0.16 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3hjm h ARG 70 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3hjm h ARG 70 CO -0.13 0.99 0.06 1.25 -1.07 0.00 0.00 179.97 181.07 3hjm h HIS 71 N 0.98 0.16 -0.50 3.04 2.76 -0.41 -0.42 115.15 120.76 3hjm h HIS 71 Ca 0.19 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3hjm h HIS 71 Cb 0.47 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 3hjm h HIS 71 CO 0.03 0.18 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.71 3hjm h LEU 72 N 0.09 0.86 -0.05 0.26 3.38 -0.95 -0.57 115.31 118.33 3hjm h LEU 72 Ca 0.04 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3hjm h LEU 72 Cb 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3hjm h LEU 72 CO -0.01 0.96 -0.21 1.23 0.09 0.00 0.00 178.44 180.50 3hjm h GLY 73 N 0.98 -0.25 0.76 0.83 0.00 -0.66 0.36 103.07 105.10 3hjm h GLY 73 Ca 0.14 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3hjm h GLY 73 CO 0.03 -0.18 -0.28 -0.09 0.00 0.00 0.00 176.54 176.02 3hjm h ARG 74 N -0.31 -0.61 -0.33 4.80 2.43 -0.89 0.17 114.38 119.64 3hjm h ARG 74 Ca 0.07 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3hjm h ARG 74 Cb 0.41 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3hjm h ARG 74 CO -0.23 -0.41 -0.17 1.79 -1.51 0.00 0.00 179.97 179.44 3hjm h THR 75 N -0.64 1.26 -0.34 0.20 1.35 -0.84 -3.10 112.91 110.80 3hjm h THR 75 Ca -0.03 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3hjm h THR 75 Cb 0.56 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3hjm h THR 75 CO -0.01 0.39 0.00 0.18 -0.25 0.00 0.00 175.52 175.83 3hjm n LEU 76 N -4.15 3.22 -2.07 3.87 4.77 0.13 -4.96 117.00 117.81 3hjm n LEU 76 Ca 0.00 -1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 54.52 3hjm n LEU 76 Cb 0.38 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3hjm n LEU 76 CO 0.42 0.68 0.09 0.61 -1.33 0.00 0.00 177.39 177.87 3hjm n GLY 77 N 1.46 0.16 2.65 -0.72 0.00 -0.59 -4.98 105.19 103.15 3hjm n GLY 77 Ca 0.19 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3hjm n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hjm n LEU 78 N -2.63 4.40 -1.76 0.99 4.77 0.50 -4.75 117.00 118.52 3hjm n LEU 78 Ca -0.05 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 3hjm n LEU 78 Cb 0.55 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3hjm n LEU 78 CO 0.31 2.26 0.17 0.00 -1.33 0.00 0.00 177.39 178.80 3hjm n TYR 79 N -0.36 0.04 0.00 -1.77 4.19 -1.26 -1.30 117.16 116.71 3hjm n TYR 79 Ca 0.34 -0.94 0.00 0.00 3.31 0.00 0.00 57.90 60.61 3hjm n TYR 79 Cb 0.57 0.15 0.00 0.00 0.49 0.00 0.00 39.34 40.55 3hjm n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hjm n GLY 80 N -0.03 -1.56 0.10 2.98 0.00 -1.26 -3.70 105.19 101.72 3hjm n GLY 80 Ca -0.04 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.54 3hjm n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hjm n LYS 81 N -1.94 0.55 -2.92 1.61 2.85 -1.26 -4.83 118.16 112.22 3hjm n LYS 81 Ca 0.00 0.10 -0.07 0.00 -1.05 0.00 0.00 58.31 57.29 3hjm n LYS 81 Cb 0.00 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 32.60 3hjm n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3hjm n ASP 82 N -2.55 -1.22 0.01 -5.58 5.68 -1.26 -5.04 116.55 106.59 3hjm n ASP 82 Ca 0.00 -2.11 -0.03 0.00 -0.50 0.00 0.00 54.79 52.16 3hjm n ASP 82 Cb 0.53 2.10 0.22 0.00 -1.14 0.00 0.00 41.12 42.84 3hjm n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3hjm h GLN 83 N 0.00 0.49 -0.48 0.11 4.20 -1.94 -1.64 115.11 115.84 3hjm h GLN 83 Ca -0.20 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.25 3hjm h GLN 83 Cb 0.78 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3hjm h GLN 83 CO 0.26 0.66 -0.08 1.96 -0.67 0.00 0.00 178.83 180.96 3hjm h GLN 84 N 0.44 0.91 -0.66 1.46 4.20 -1.98 -2.19 115.11 117.29 3hjm h GLN 84 Ca 0.07 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 3hjm h GLN 84 Cb 0.59 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 3hjm h GLN 84 CO 0.04 0.98 0.09 0.93 -0.67 0.00 0.00 178.83 180.20 3hjm h GLU 85 N 0.76 1.11 -0.86 1.46 5.08 -1.89 -2.36 114.58 117.88 3hjm h GLU 85 Ca 0.13 -0.31 0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3hjm h GLU 85 Cb 0.62 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 3hjm h GLU 85 CO 0.04 1.02 0.51 0.00 -1.00 0.00 0.00 179.01 179.59 3hjm h ALA 86 N 1.04 1.21 -0.47 3.43 0.00 -1.21 0.21 119.26 123.46 3hjm h ALA 86 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hjm h ALA 86 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hjm h ALA 86 CO 0.02 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.66 3hjm h ALA 87 N 1.45 0.61 -0.63 0.00 0.00 -1.02 -1.69 119.26 117.99 3hjm h ALA 87 Ca 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hjm h ALA 87 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hjm h ALA 87 CO -0.22 0.19 0.26 -0.07 0.00 0.00 0.00 179.25 179.41 3hjm h LEU 88 N 0.62 0.86 -0.41 0.00 3.38 -0.90 -0.40 115.31 118.46 3hjm h LEU 88 Ca 0.16 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hjm h LEU 88 Cb 0.14 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3hjm h LEU 88 CO -0.02 0.78 0.07 0.58 0.09 0.00 0.00 178.44 179.94 3hjm h VAL 89 N 0.87 0.77 -0.83 1.22 2.07 -0.42 -1.81 116.25 118.12 3hjm h VAL 89 Ca 0.21 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3hjm h VAL 89 Cb 0.18 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3hjm h VAL 89 CO -0.02 0.03 0.48 0.44 0.02 0.00 0.00 177.57 178.52 3hjm h ASP 90 N 0.19 1.02 -0.57 0.57 3.32 -0.95 -1.98 116.42 118.02 3hjm h ASP 90 Ca 0.20 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3hjm h ASP 90 Cb 0.25 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3hjm h ASP 90 CO -0.27 0.81 0.37 -0.03 -1.72 0.00 0.00 179.24 178.40 3hjm h MET 91 N 1.15 0.73 -0.12 3.56 4.05 -0.61 -0.76 114.93 122.94 3hjm h MET 91 Ca 0.30 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 3hjm h MET 91 Cb -0.00 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3hjm h MET 91 CO -0.05 0.49 0.07 0.28 0.23 0.00 0.00 176.91 177.92 3hjm h VAL 92 N 0.76 1.08 -0.42 -5.77 2.07 -1.16 -2.38 116.25 110.43 3hjm h VAL 92 Ca 0.21 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hjm h VAL 92 Cb -0.07 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3hjm h VAL 92 CO -0.06 0.08 0.26 -1.13 0.02 0.00 0.00 177.57 176.74 3hjm h ASN 93 N 0.11 0.50 -0.87 0.57 -0.73 -1.10 0.22 115.58 114.29 3hjm h ASN 93 Ca 0.04 -0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.25 3hjm h ASN 93 Cb 0.06 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.46 3hjm h ASN 93 CO -0.01 0.41 0.53 0.44 -0.37 0.00 0.00 177.43 178.43 3hjm h ASP 94 N 0.56 0.80 -0.37 1.15 3.32 -1.19 0.24 116.42 120.93 3hjm h ASP 94 Ca 0.15 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3hjm h ASP 94 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hjm h ASP 94 CO -0.03 0.48 0.09 1.23 -1.72 0.00 0.00 179.24 179.30 3hjm h GLY 95 N 0.92 0.64 0.73 2.75 0.00 -0.80 -1.78 103.07 105.54 3hjm h GLY 95 Ca 0.40 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hjm h GLY 95 CO -0.21 0.37 -0.12 -2.08 0.00 0.00 0.00 176.54 174.50 3hjm h VAL 96 N 0.46 0.71 -0.70 4.60 2.07 -0.12 -2.74 116.25 120.54 3hjm h VAL 96 Ca 0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 3hjm h VAL 96 Cb 0.30 0.71 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 3hjm h VAL 96 CO 0.00 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.59 3hjm h GLU 97 N -0.21 0.17 -0.43 1.57 4.57 -0.40 -0.37 114.58 119.49 3hjm h GLU 97 Ca 0.04 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 3hjm h GLU 97 Cb 0.25 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3hjm h GLU 97 CO -0.10 0.11 0.18 -0.44 -1.18 0.00 0.00 179.01 177.58 3hjm h ASP 98 N 0.18 0.23 0.15 1.04 3.32 -1.10 -0.73 116.42 119.50 3hjm h ASP 98 Ca 0.38 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.35 3hjm h ASP 98 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3hjm h ASP 98 CO -0.55 0.17 -0.43 0.25 -1.72 0.00 0.00 179.24 176.95 3hjm h LEU 99 N 0.37 0.38 -0.66 1.55 5.85 -1.15 -2.83 115.31 118.82 3hjm h LEU 99 Ca 0.19 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3hjm h LEU 99 Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hjm h LEU 99 CO -0.17 0.77 0.39 -0.09 -0.34 0.00 0.00 178.44 178.99 3hjm h ARG 100 N 0.29 0.91 -0.94 1.25 2.43 -0.77 0.31 114.38 117.86 3hjm h ARG 100 Ca 0.02 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3hjm h ARG 100 Cb 0.88 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3hjm h ARG 100 CO 0.07 0.66 0.61 0.00 -1.51 0.00 0.00 179.97 179.80 3hjm h LYS 102 N 1.13 0.47 -0.59 0.00 1.57 -1.25 -1.54 116.57 116.36 3hjm h LYS 102 Ca 0.39 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 3hjm h LYS 102 Cb 0.10 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3hjm h LYS 102 CO -0.15 0.60 0.29 -0.92 -0.57 0.00 0.00 179.45 178.70 3hjm h TYR 103 N 0.27 0.52 -0.40 -1.35 3.20 -0.34 -1.99 116.97 116.88 3hjm h TYR 103 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3hjm h TYR 103 Cb 0.37 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3hjm h TYR 103 CO 0.03 0.22 0.07 0.82 -1.64 0.00 0.00 178.16 177.66 3hjm h ILE 104 N 0.53 1.24 -0.29 1.81 2.04 -0.79 -2.32 117.51 119.74 3hjm h ILE 104 Ca 0.27 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.33 3hjm h ILE 104 Cb 0.23 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3hjm h ILE 104 CO -0.21 0.29 -0.07 -1.28 0.00 0.00 0.00 178.15 176.88 3hjm h SER 105 N 0.51 -0.27 -0.08 1.72 0.87 -0.95 0.44 113.55 115.78 3hjm h SER 105 Ca 0.12 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3hjm h SER 105 Cb 0.36 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3hjm h SER 105 CO 0.01 -0.10 -0.28 0.25 -0.53 0.00 0.00 176.83 176.18 3hjm h LEU 106 N -0.00 -0.86 -0.53 2.23 5.85 -1.35 0.91 115.31 121.56 3hjm h LEU 106 Ca 0.14 0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3hjm h LEU 106 Cb 0.21 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3hjm h LEU 106 CO -0.30 -0.33 0.32 0.40 -0.34 0.00 0.00 178.44 178.18 3hjm h ILE 107 N -0.38 1.06 0.02 4.05 1.08 -0.97 0.23 117.51 122.60 3hjm h ILE 107 Ca 0.09 -0.22 -0.07 0.00 -0.39 0.00 0.00 64.86 64.27 3hjm h ILE 107 Cb 0.51 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3hjm h ILE 107 CO -0.30 0.12 -0.35 0.58 -0.69 0.00 0.00 178.15 177.51 3hjm h VAL 108 N 0.63 1.59 0.00 1.67 2.07 -0.89 -3.39 116.25 117.93 3hjm h VAL 108 Ca 0.21 -2.34 -0.11 0.00 0.82 0.00 0.00 66.70 65.28 3hjm h VAL 108 Cb 0.02 3.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3hjm h VAL 108 CO -0.09 0.57 -2.02 0.35 0.02 0.00 0.00 177.57 176.40 3hjm n THR 109 N -4.51 0.41 -2.49 2.57 -2.24 0.31 -4.80 114.28 103.53 3hjm n THR 109 Ca -0.15 -0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 61.06 3hjm n THR 109 Cb 0.56 -0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3hjm n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hjm n ASN 110 N -2.35 0.06 0.25 3.42 5.15 -0.65 -5.00 115.26 116.14 3hjm n ASN 110 Ca -0.12 -2.05 -0.16 0.00 -0.60 0.00 0.00 54.58 51.65 3hjm n ASN 110 Cb 0.70 0.04 -0.08 0.00 -0.53 0.00 0.00 39.78 39.91 3hjm n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3hjm h TYR 111 N 1.13 -0.91 0.28 1.20 3.20 -0.78 -0.23 116.97 120.86 3hjm h TYR 111 Ca -0.35 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 3hjm h TYR 111 Cb 1.49 0.35 0.00 0.00 1.54 0.00 0.00 36.73 40.10 3hjm h TYR 111 CO 0.10 -0.49 -0.14 0.93 -1.64 0.00 0.00 178.16 176.93 3hjm h GLU 112 N -0.75 -0.36 -0.38 1.82 3.07 -1.95 -1.74 114.58 114.30 3hjm h GLU 112 Ca -0.03 0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 3hjm h GLU 112 Cb 0.65 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3hjm h GLU 112 CO -0.02 -0.06 -0.33 0.00 -1.40 0.00 0.00 179.01 177.19 3hjm h ALA 113 N -0.06 0.70 0.00 3.43 0.00 -1.98 -3.36 119.26 117.99 3hjm h ALA 113 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hjm h ALA 113 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hjm h ALA 113 CO 0.06 0.66 -0.69 0.78 0.00 0.00 0.00 179.25 180.07 3hjm h GLY 114 N 0.89 0.00 0.51 0.00 0.00 -1.05 -3.41 103.07 100.02 3hjm h GLY 114 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3hjm h GLY 114 CO 0.08 0.00 0.13 1.70 0.00 0.00 0.00 176.54 178.45 3hjm h LYS 115 N 0.00 0.27 0.15 4.80 3.64 -1.43 -1.71 116.57 122.29 3hjm h LYS 115 Ca 0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hjm h LYS 115 Cb 0.95 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 3hjm h LYS 115 CO 0.00 0.18 -0.30 0.22 -2.27 0.00 0.00 179.45 177.28 3hjm h ASP 116 N 0.28 -0.84 -0.77 4.20 3.58 -1.84 0.15 116.42 121.18 3hjm h ASP 116 Ca 0.22 0.09 0.12 0.00 0.42 0.00 0.00 57.03 57.88 3hjm h ASP 116 Cb 0.25 0.31 -0.09 0.00 1.72 0.00 0.00 39.33 41.52 3hjm h ASP 116 CO -0.25 -0.39 0.36 0.44 -2.88 0.00 0.00 179.24 176.52 3hjm h ASP 117 N -0.53 0.43 -0.07 2.28 5.19 -1.78 -2.63 116.42 119.31 3hjm h ASP 117 Ca 0.02 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3hjm h ASP 117 Cb 0.55 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.08 3hjm h ASP 117 CO -0.15 0.20 0.00 0.22 -3.12 0.00 0.00 179.24 176.39 3hjm h TYR 118 N 0.56 0.13 -0.25 4.55 3.20 -0.65 -1.79 116.97 122.72 3hjm h TYR 118 Ca 0.40 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 3hjm h TYR 118 Cb 0.53 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3hjm h TYR 118 CO -0.12 0.38 0.12 0.28 -1.64 0.00 0.00 178.16 177.18 3hjm h VAL 119 N -0.16 1.09 -0.37 1.81 2.07 -0.94 -0.69 116.25 119.06 3hjm h VAL 119 Ca 0.02 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3hjm h VAL 119 Cb 0.32 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hjm h VAL 119 CO 0.00 0.10 -0.28 0.11 0.02 0.00 0.00 177.57 177.53 3hjm h LYS 120 N 0.35 0.77 0.00 1.57 1.57 -1.23 -3.01 116.57 116.59 3hjm h LYS 120 Ca 0.09 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3hjm h LYS 120 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hjm h LYS 120 CO -0.01 0.96 -0.06 0.00 -0.57 0.00 0.00 179.45 179.77 3hjm n ALA 121 N -2.51 2.40 -0.29 3.86 0.00 -0.69 -4.31 120.51 118.97 3hjm n ALA 121 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 3hjm n ALA 121 Cb 0.46 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.55 3hjm n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hjm h LEU 122 N 0.00 0.97 -0.73 0.00 5.85 -1.01 -2.81 115.31 117.58 3hjm h LEU 122 Ca 0.00 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.75 3hjm h LEU 122 Cb 0.60 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3hjm h LEU 122 CO 0.00 0.76 0.35 -0.65 -0.34 0.00 0.00 178.44 178.55 3hjm h PRO 123 N 1.09 0.55 0.00 5.25 0.11 -1.76 -0.20 132.00 137.05 3hjm h PRO 123 Ca 0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 3hjm h PRO 123 Cb -0.02 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 3hjm h PRO 123 CO -0.05 0.36 -0.15 0.78 -0.21 0.00 0.00 178.00 178.73 3hjm h GLY 124 N 0.56 0.00 1.64 -0.55 0.00 -1.80 -1.62 103.07 101.31 3hjm h GLY 124 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.46 3hjm h GLY 124 CO -0.31 0.00 -1.25 1.46 0.00 0.00 0.00 176.54 176.44 3hjm h GLN 125 N 0.00 0.06 0.00 4.80 1.08 -1.14 -3.32 115.11 116.59 3hjm h GLN 125 Ca -0.00 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 3hjm h GLN 125 Cb 0.32 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3hjm h GLN 125 CO 0.02 0.92 -0.43 -0.07 -0.95 0.00 0.00 178.83 178.32 3hjm h LEU 126 N 0.02 0.00 -0.66 1.46 3.38 -0.78 -3.40 115.31 115.33 3hjm h LEU 126 Ca -0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hjm h LEU 126 Cb 1.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 3hjm h LEU 126 CO 0.13 0.38 0.39 0.50 0.09 0.00 0.00 178.44 179.93 3hjm h LYS 127 N 0.00 0.72 -0.81 1.13 3.64 -1.41 -2.79 116.57 117.05 3hjm h LYS 127 Ca -0.01 -0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.49 3hjm h LYS 127 Cb 1.30 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 3hjm h LYS 127 CO 0.05 0.48 0.54 -1.35 -2.27 0.00 0.00 179.45 176.89 3hjm h PRO 128 N 0.74 0.42 -0.05 1.90 0.11 -1.80 0.06 132.00 133.38 3hjm h PRO 128 Ca 0.28 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.18 3hjm h PRO 128 Cb 0.10 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3hjm h PRO 128 CO -0.14 0.28 -0.74 0.74 -0.21 0.00 0.00 178.00 177.92 3hjm h PHE 129 N 0.44 0.44 -0.27 0.65 0.04 -1.78 0.34 116.94 116.79 3hjm h PHE 129 Ca 0.41 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 3hjm h PHE 129 Cb 0.93 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3hjm h PHE 129 CO -0.00 0.95 0.10 1.49 -0.60 0.00 0.00 178.31 180.25 3hjm h GLU 130 N 0.21 0.42 -0.21 1.51 4.57 -1.16 -2.08 114.58 117.84 3hjm h GLU 130 Ca -0.03 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3hjm h GLU 130 Cb 1.32 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 3hjm h GLU 130 CO 0.12 0.47 -0.05 1.15 -1.18 0.00 0.00 179.01 179.51 3hjm h THR 131 N 0.28 0.79 -0.44 0.32 2.02 -0.93 -0.46 112.91 114.49 3hjm h THR 131 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3hjm h THR 131 Cb 0.21 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3hjm h THR 131 CO -0.00 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 176.00 3hjm h LEU 132 N -0.00 0.23 -0.54 2.58 3.38 -0.84 -1.57 115.31 118.54 3hjm h LEU 132 Ca 0.10 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3hjm h LEU 132 Cb 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hjm h LEU 132 CO -0.22 0.17 0.28 -0.07 0.09 0.00 0.00 178.44 178.69 3hjm h LEU 133 N 0.37 0.39 -1.55 1.67 3.38 -1.09 -2.50 115.31 115.98 3hjm h LEU 133 Ca 0.20 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hjm h LEU 133 Cb 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hjm h LEU 133 CO -0.17 0.27 0.04 0.77 0.09 0.00 0.00 178.44 179.43 3hjm h SER 134 N 0.53 0.30 1.02 -0.43 4.64 -0.25 0.21 113.55 119.57 3hjm h SER 134 Ca 0.24 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hjm h SER 134 Cb 0.15 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3hjm h SER 134 CO -0.17 0.32 -0.18 0.00 -0.87 0.00 0.00 176.83 175.93 3hjm n GLN 135 N -4.39 0.12 -3.47 4.77 6.02 -0.67 -3.56 117.38 116.20 3hjm n GLN 135 Ca 0.00 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 3hjm n GLN 135 Cb 0.16 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 29.77 3hjm n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3hjm s ASN 136 N -3.61 6.38 -1.39 1.08 2.47 -0.19 -4.75 114.94 114.93 3hjm s ASN 136 Ca 0.11 -3.06 -0.01 0.00 0.42 0.00 0.00 52.86 50.32 3hjm s ASN 136 Cb 0.16 -2.08 0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3hjm s ASN 136 CO 0.61 -0.41 0.50 0.00 -3.72 0.00 0.00 177.10 174.08 3hjm n GLN 137 N 3.36 -3.73 -1.89 0.43 6.02 -1.26 -1.70 117.38 118.61 3hjm n GLN 137 Ca 0.15 0.46 -0.19 0.00 -0.01 0.00 0.00 57.00 57.42 3hjm n GLN 137 Cb 0.42 -4.72 -0.05 0.00 1.02 0.00 0.00 30.24 26.91 3hjm n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hjm n GLY 138 N -1.86 0.86 2.19 1.08 0.00 -1.23 -2.44 105.19 103.79 3hjm n GLY 138 Ca -0.29 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 3hjm n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjm n GLY 139 N -0.59 0.88 0.03 -0.02 0.00 0.56 -4.79 105.19 101.26 3hjm n GLY 139 Ca -0.20 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.19 3hjm n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hjm n LYS 140 N -2.80 0.15 0.00 1.61 5.02 -1.02 -4.80 118.16 116.32 3hjm n LYS 140 Ca -0.07 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3hjm n LYS 140 Cb 0.22 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hjm n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hjm n THR 141 N -1.79 0.00 -4.62 -0.18 -2.24 -1.26 -5.10 114.28 99.10 3hjm n THR 141 Ca 0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.52 3hjm n THR 141 Cb 0.39 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 3hjm n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hjm s PHE 142 N 1.44 2.11 0.33 4.78 0.08 -1.25 -5.02 117.98 120.44 3hjm s PHE 142 Ca 0.00 -0.83 0.06 0.00 0.12 0.00 0.00 56.93 56.28 3hjm s PHE 142 Cb 0.00 -1.71 0.58 0.00 -0.57 0.00 0.00 43.02 41.32 3hjm s PHE 142 CO 0.00 0.25 1.80 0.97 -0.10 0.00 0.00 175.22 178.14 3hjm h ILE 143 N 1.45 1.24 -3.37 0.64 6.09 -1.96 -3.42 117.51 118.18 3hjm h ILE 143 Ca -0.43 -1.12 -0.46 0.00 -1.37 0.00 0.00 64.86 61.47 3hjm h ILE 143 Cb 1.29 1.36 -0.35 0.00 0.47 0.00 0.00 36.82 39.59 3hjm h ILE 143 CO 0.75 0.35 -0.79 -0.69 -3.07 0.00 0.00 178.15 174.70 3hjm s VAL 144 N -4.52 0.77 0.00 2.19 1.01 -1.26 -4.67 120.40 113.92 3hjm s VAL 144 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3hjm s VAL 144 Cb 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3hjm s VAL 144 CO 0.76 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.76 3hjm n GLY 145 N 4.28 0.57 0.34 4.51 0.00 -1.26 -4.17 105.19 109.45 3hjm n GLY 145 Ca -0.20 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.07 3hjm n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjm n ASP 146 N -2.28 2.12 -4.18 1.61 5.68 -1.26 -3.81 116.55 114.42 3hjm n ASP 146 Ca 0.00 -3.45 -0.18 0.00 -0.50 0.00 0.00 54.79 50.66 3hjm n ASP 146 Cb 0.00 -0.48 -0.12 0.00 -1.14 0.00 0.00 41.12 39.38 3hjm n ASP 146 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3hjm s GLN 147 N -3.04 0.86 0.51 0.11 -0.21 -1.26 -4.89 119.66 111.74 3hjm s GLN 147 Ca 0.35 -1.03 -0.21 0.00 0.02 0.00 0.00 55.36 54.49 3hjm s GLN 147 Cb 0.32 -0.81 -0.06 0.00 1.00 0.00 0.00 33.01 33.46 3hjm s GLN 147 CO -0.01 0.17 1.16 -1.50 -2.12 0.00 0.00 175.29 172.99 3hjm s ILE 148 N -1.55 3.07 0.32 1.08 2.07 -1.26 -4.78 121.20 120.14 3hjm s ILE 148 Ca 0.01 0.73 0.03 0.00 -1.41 0.00 0.00 60.65 60.00 3hjm s ILE 148 Cb -0.08 -3.33 -0.05 0.00 0.13 0.00 0.00 42.46 39.13 3hjm s ILE 148 CO 0.02 -0.08 0.09 -0.94 -1.91 0.00 0.00 174.94 172.12 3hjm s SER 149 N -1.55 2.04 0.42 4.50 1.04 -1.26 -4.52 113.70 114.37 3hjm s SER 149 Ca 0.69 -1.46 0.09 0.00 0.48 0.00 0.00 55.95 55.75 3hjm s SER 149 Cb -0.27 0.16 0.91 0.00 0.10 0.00 0.00 66.02 66.93 3hjm s SER 149 CO 0.31 -0.74 2.03 2.19 0.98 0.00 0.00 173.24 178.01 3hjm h PHE 150 N 2.13 0.33 -0.19 5.02 -5.15 -1.53 -2.28 116.94 115.26 3hjm h PHE 150 Ca -0.38 -0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.38 3hjm h PHE 150 Cb 1.25 -0.11 -0.01 0.00 0.22 0.00 0.00 35.95 37.30 3hjm h PHE 150 CO 0.79 0.28 0.11 0.00 -2.00 0.00 0.00 178.31 177.49 3hjm h ALA 151 N 1.76 1.83 -0.04 12.09 0.00 -1.85 -2.55 119.26 130.49 3hjm h ALA 151 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hjm h ALA 151 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hjm h ALA 151 CO -0.01 0.15 0.03 -0.44 0.00 0.00 0.00 179.25 178.98 3hjm h ASP 152 N 0.26 0.05 -0.91 0.00 3.32 -1.81 0.12 116.42 117.45 3hjm h ASP 152 Ca 0.07 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3hjm h ASP 152 Cb 0.01 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3hjm h ASP 152 CO -0.01 0.06 0.61 1.88 -1.72 0.00 0.00 179.24 180.05 3hjm h TYR 153 N 0.04 1.15 -0.22 4.55 0.05 -1.53 0.95 116.97 121.95 3hjm h TYR 153 Ca 0.02 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 3hjm h TYR 153 Cb 0.02 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.37 3hjm h TYR 153 CO -0.07 0.72 -0.34 -0.97 -1.05 0.00 0.00 178.16 176.44 3hjm h ASN 154 N 1.23 0.68 -0.36 3.88 -1.24 -1.27 -2.33 115.58 116.17 3hjm h ASN 154 Ca 0.34 -0.52 -0.05 0.00 0.71 0.00 0.00 56.30 56.78 3hjm h ASN 154 Cb -0.13 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.71 3hjm h ASN 154 CO -0.08 1.07 0.04 0.25 -1.29 0.00 0.00 177.43 177.43 3hjm h LEU 155 N 0.31 0.58 -0.53 0.34 5.85 -0.68 -2.00 115.31 119.18 3hjm h LEU 155 Ca 0.02 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3hjm h LEU 155 Cb 0.93 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3hjm h LEU 155 CO 0.08 0.71 0.19 0.25 -0.34 0.00 0.00 178.44 179.33 3hjm h LEU 156 N 0.44 0.18 -0.00 2.25 5.85 -0.79 -1.15 115.31 122.08 3hjm h LEU 156 Ca 0.11 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hjm h LEU 156 Cb 0.39 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hjm h LEU 156 CO 0.01 0.12 0.00 -0.78 -0.34 0.00 0.00 178.44 177.45 3hjm h ASP 157 N 0.36 0.00 -1.00 1.25 3.58 -1.27 0.17 116.42 119.51 3hjm h ASP 157 Ca 0.26 -0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.82 3hjm h ASP 157 Cb 0.29 -0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.25 3hjm h ASP 157 CO -0.27 0.04 0.62 0.25 -2.88 0.00 0.00 179.24 177.00 3hjm h LEU 158 N -0.04 0.86 -0.20 2.28 5.85 -0.96 -1.68 115.31 121.42 3hjm h LEU 158 Ca 0.00 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3hjm h LEU 158 Cb 0.04 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3hjm h LEU 158 CO -0.00 0.39 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.07 3hjm h LEU 159 N 0.89 0.65 -0.60 2.25 3.38 -0.95 -2.33 115.31 118.60 3hjm h LEU 159 Ca 0.54 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3hjm h LEU 159 Cb 0.68 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3hjm h LEU 159 CO -0.32 1.06 0.30 -0.07 0.09 0.00 0.00 178.44 179.50 3hjm h LEU 160 N 0.27 0.40 -0.49 1.67 3.38 -0.57 -2.04 115.31 117.93 3hjm h LEU 160 Ca 0.01 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3hjm h LEU 160 Cb 0.94 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hjm h LEU 160 CO 0.08 0.26 -0.72 0.16 0.09 0.00 0.00 178.44 178.31 3hjm h ILE 161 N 0.55 1.43 -0.26 1.22 3.07 -1.31 -2.70 117.51 119.51 3hjm h ILE 161 Ca 0.28 -2.24 -0.11 0.00 1.55 0.00 0.00 64.86 64.34 3hjm h ILE 161 Cb 0.23 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 3hjm h ILE 161 CO -0.21 0.66 -0.31 0.45 -1.05 0.00 0.00 178.15 177.68 3hjm h HIS 162 N 0.16 0.61 0.00 0.16 3.86 -1.36 -1.11 115.15 117.48 3hjm h HIS 162 Ca -0.02 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3hjm h HIS 162 Cb 1.28 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 3hjm h HIS 162 CO 0.03 0.79 -0.15 0.93 0.86 0.00 0.00 177.93 180.38 3hjm h GLU 163 N 0.46 0.00 -0.02 2.45 4.39 -1.22 0.22 114.58 120.86 3hjm h GLU 163 Ca 0.06 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 3hjm h GLU 163 Cb 0.77 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3hjm h GLU 163 CO 0.06 0.15 -0.73 0.28 -1.16 0.00 0.00 179.01 177.61 3hjm h VAL 164 N 0.00 1.37 -0.47 3.13 2.07 -1.27 -2.73 116.25 118.36 3hjm h VAL 164 Ca -0.00 -2.10 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 3hjm h VAL 164 Cb 0.52 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 3hjm h VAL 164 CO 0.02 0.63 -0.04 0.25 0.02 0.00 0.00 177.57 178.45 3hjm h LEU 165 N 0.10 0.85 -6.11 2.57 5.85 -0.88 -3.38 115.31 114.30 3hjm h LEU 165 Ca -0.09 -0.33 -0.57 0.00 0.84 0.00 0.00 57.88 57.73 3hjm h LEU 165 Cb 1.42 -0.23 -0.39 0.00 0.37 0.00 0.00 40.66 41.83 3hjm h LEU 165 CO 0.15 0.97 -1.03 0.00 -0.34 0.00 0.00 178.44 178.18 3hjm n ALA 166 N -2.45 2.66 -1.60 1.25 0.00 0.73 -5.09 120.51 116.02 3hjm n ALA 166 Ca 0.00 -3.46 -0.50 0.00 0.00 0.00 0.00 53.44 49.49 3hjm n ALA 166 Cb 0.34 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 3hjm n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hjm n PRO 167 N 1.68 1.35 -0.63 0.00 -0.02 -1.03 -1.21 135.00 135.15 3hjm n PRO 167 Ca 0.24 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3hjm n PRO 167 Cb 0.51 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3hjm n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjm n GLY 168 N 2.43 1.03 0.32 -1.23 0.00 -1.26 -4.95 105.19 101.53 3hjm n GLY 168 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.36 3hjm n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjm n LEU 170 N -3.63 1.17 -0.08 0.00 4.77 -1.26 -4.04 117.00 113.93 3hjm n LEU 170 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3hjm n LEU 170 Cb 0.13 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.48 3hjm n LEU 170 CO 0.25 0.22 1.08 0.44 -1.33 0.00 0.00 177.39 178.05 3hjm h ASP 171 N 1.72 0.64 0.36 -1.43 3.32 -1.42 -1.52 116.42 118.09 3hjm h ASP 171 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hjm h ASP 171 Cb 0.37 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hjm h ASP 171 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 3hjm n ALA 172 N -2.46 1.68 -3.48 3.45 0.00 -1.26 -4.47 120.51 113.98 3hjm n ALA 172 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 3hjm n ALA 172 Cb 0.14 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 3hjm n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hjm s PHE 173 N -2.79 1.03 0.42 0.00 0.08 -0.57 -5.01 117.98 111.13 3hjm s PHE 173 Ca 0.09 -1.96 0.20 0.00 0.12 0.00 0.00 56.93 55.39 3hjm s PHE 173 Cb 0.09 -1.06 1.17 0.00 -0.57 0.00 0.00 43.02 42.64 3hjm s PHE 173 CO 0.22 -0.82 2.00 -1.35 -0.10 0.00 0.00 175.22 175.18 3hjm h PRO 174 N 6.54 0.00 0.15 0.24 0.11 -1.78 -1.08 132.00 136.18 3hjm h PRO 174 Ca 0.12 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.96 3hjm h PRO 174 Cb 0.94 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.08 3hjm h PRO 174 CO 0.33 0.18 -1.14 -0.07 -0.21 0.00 0.00 178.00 177.09 3hjm h LEU 175 N 0.00 0.74 -0.68 2.35 3.38 -1.94 -2.17 115.31 116.99 3hjm h LEU 175 Ca -0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.07 3hjm h LEU 175 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hjm h LEU 175 CO 0.02 1.55 0.32 -0.07 0.09 0.00 0.00 178.44 180.35 3hjm h LEU 176 N 0.04 0.90 -0.02 1.67 3.38 -1.89 -0.66 115.31 118.72 3hjm h LEU 176 Ca -0.18 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3hjm h LEU 176 Cb 1.86 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.34 3hjm h LEU 176 CO 0.22 0.78 -0.16 0.28 0.09 0.00 0.00 178.44 179.65 3hjm h SER 177 N 0.95 -0.47 -0.24 -0.43 0.02 -1.21 -2.06 113.55 110.11 3hjm h SER 177 Ca 0.23 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 3hjm h SER 177 Cb 0.13 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3hjm h SER 177 CO -0.03 -0.22 -0.17 0.00 -1.14 0.00 0.00 176.83 175.27 3hjm h ALA 178 N 0.70 1.01 -0.17 3.77 0.00 -1.30 -2.92 119.26 120.34 3hjm h ALA 178 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hjm h ALA 178 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hjm h ALA 178 CO -0.17 0.59 -0.05 -0.92 0.00 0.00 0.00 179.25 178.71 3hjm h TYR 179 N 0.61 -0.10 -0.43 0.00 3.20 -1.04 0.83 116.97 120.03 3hjm h TYR 179 Ca 0.10 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3hjm h TYR 179 Cb 0.64 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 3hjm h TYR 179 CO 0.03 -0.08 0.01 0.28 -1.64 0.00 0.00 178.16 176.76 3hjm h VAL 180 N -0.01 0.68 -0.17 1.81 2.07 -1.25 0.11 116.25 119.49 3hjm h VAL 180 Ca 0.08 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3hjm h VAL 180 Cb 0.13 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3hjm h VAL 180 CO -0.18 0.02 -0.08 1.23 0.02 0.00 0.00 177.57 178.59 3hjm h GLY 181 N 0.13 0.39 0.98 2.17 0.00 -1.34 0.07 103.07 105.47 3hjm h GLY 181 Ca 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hjm h GLY 181 CO -0.35 0.31 0.06 -0.09 0.00 0.00 0.00 176.54 176.47 3hjm h ARG 182 N 0.05 0.12 -0.45 4.80 2.43 -0.67 -2.41 114.38 118.24 3hjm h ARG 182 Ca 0.04 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3hjm h ARG 182 Cb 0.55 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hjm h ARG 182 CO 0.02 0.11 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.52 3hjm h LEU 183 N 0.10 0.78 -2.03 3.80 4.07 -0.79 -2.81 115.31 118.42 3hjm h LEU 183 Ca 0.03 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3hjm h LEU 183 Cb 0.02 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.55 3hjm h LEU 183 CO -0.01 0.90 0.02 0.28 -1.08 0.00 0.00 178.44 178.55 3hjm h SER 184 N 0.64 0.00 0.01 -0.43 0.02 -0.87 -2.53 113.55 110.39 3hjm h SER 184 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3hjm h SER 184 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3hjm h SER 184 CO 0.02 0.00 -0.53 0.00 -1.14 0.00 0.00 176.83 175.18 3hjm n ALA 185 N -1.89 3.68 -1.66 3.77 0.00 -0.92 -3.56 120.51 119.94 3hjm n ALA 185 Ca -0.02 -0.62 -0.48 0.00 0.00 0.00 0.00 53.44 52.32 3hjm n ALA 185 Cb 0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 3hjm n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hjm n ARG 186 N -0.27 1.95 -0.15 0.00 1.74 -0.96 -4.77 116.66 114.21 3hjm n ARG 186 Ca 0.09 0.71 -0.09 0.00 -0.77 0.00 0.00 57.85 57.79 3hjm n ARG 186 Cb 0.44 -2.46 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 3hjm n ARG 186 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3hjm h PRO 187 N 6.35 -0.18 -0.55 5.56 0.11 -1.91 0.44 132.00 141.82 3hjm h PRO 187 Ca -0.46 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3hjm h PRO 187 Cb 1.27 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 3hjm h PRO 187 CO 0.88 -0.12 0.16 0.87 -0.21 0.00 0.00 178.00 179.59 3hjm h LYS 188 N -0.18 0.82 -0.10 1.05 1.57 -1.90 -1.95 116.57 115.88 3hjm h LYS 188 Ca 0.06 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3hjm h LYS 188 Cb 0.35 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hjm h LYS 188 CO -0.46 0.72 -0.16 1.25 -0.57 0.00 0.00 179.45 180.23 3hjm h LEU 189 N 0.80 0.33 -0.13 2.94 5.85 -1.67 -2.15 115.31 121.28 3hjm h LEU 189 Ca 0.18 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3hjm h LEU 189 Cb 0.25 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3hjm h LEU 189 CO -0.01 0.79 -0.24 0.50 -0.34 0.00 0.00 178.44 179.14 3hjm h LYS 190 N -0.13 -0.30 -0.74 1.25 3.64 -0.03 0.57 116.57 120.83 3hjm h LYS 190 Ca 0.01 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3hjm h LYS 190 Cb 0.73 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.53 3hjm h LYS 190 CO 0.04 -0.20 0.33 0.00 -2.27 0.00 0.00 179.45 177.35 3hjm h ALA 191 N 0.64 1.03 -0.31 5.00 0.00 -1.36 -2.36 119.26 121.90 3hjm h ALA 191 Ca 0.10 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hjm h ALA 191 Cb 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hjm h ALA 191 CO -0.31 -0.13 -0.03 0.35 0.00 0.00 0.00 179.25 179.13 3hjm h PHE 192 N 0.53 0.62 0.00 0.00 3.57 -0.68 -2.80 116.94 118.18 3hjm h PHE 192 Ca 0.39 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3hjm h PHE 192 Cb 0.50 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3hjm h PHE 192 CO -0.13 0.71 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.56 3hjm h LEU 193 N 0.34 0.00 0.00 0.59 3.38 -0.69 -2.24 115.31 116.70 3hjm h LEU 193 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hjm h LEU 193 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hjm h LEU 193 CO 0.02 0.03 -0.43 0.00 0.09 0.00 0.00 178.44 178.16 3hjm n ALA 194 N -2.45 3.00 -1.80 1.53 0.00 -0.91 -4.44 120.51 115.45 3hjm n ALA 194 Ca -0.03 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3hjm n ALA 194 Cb 0.12 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 3hjm n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hjm s SER 195 N -3.62 6.70 0.42 0.00 1.04 -0.84 -4.82 113.70 112.59 3hjm s SER 195 Ca 0.10 1.90 0.21 0.00 0.48 0.00 0.00 55.95 58.63 3hjm s SER 195 Cb 0.16 -2.56 1.16 0.00 0.10 0.00 0.00 66.02 64.88 3hjm s SER 195 CO 0.67 -0.53 1.78 -0.65 0.98 0.00 0.00 173.24 175.50 3hjm h PRO 196 N 2.08 0.33 0.00 4.02 0.11 -1.93 0.92 132.00 137.53 3hjm h PRO 196 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3hjm h PRO 196 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hjm h PRO 196 CO 0.61 0.22 -0.13 1.49 -0.21 0.00 0.00 178.00 179.98 3hjm h GLU 197 N 0.34 0.00 0.00 1.05 4.81 -1.92 -0.14 114.58 118.71 3hjm h GLU 197 Ca 0.58 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.69 3hjm h GLU 197 Cb 1.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.94 3hjm h GLU 197 CO -0.25 0.13 -1.06 0.98 -0.73 0.00 0.00 179.01 178.08 3hjm n TYR 198 N -4.17 0.68 -0.34 0.92 9.36 -0.68 -4.55 117.16 118.37 3hjm n TYR 198 Ca -0.02 0.29 0.05 0.00 3.32 0.00 0.00 57.90 61.54 3hjm n TYR 198 Cb 0.21 -0.84 0.21 0.00 -0.63 0.00 0.00 39.34 38.28 3hjm n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3hjm h VAL 199 N -1.00 0.93 -0.08 2.97 2.07 -0.82 -2.71 116.25 117.61 3hjm h VAL 199 Ca -0.18 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3hjm h VAL 199 Cb 0.95 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3hjm h VAL 199 CO -0.11 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.24 3hjm n ASN 200 N -4.65 1.16 -4.79 0.57 3.02 -0.07 -4.75 115.26 105.74 3hjm n ASN 200 Ca 0.17 -1.53 -0.38 0.00 -0.03 0.00 0.00 54.58 52.80 3hjm n ASN 200 Cb 0.31 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 3hjm n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hjm s LEU 201 N -1.72 4.41 0.69 3.41 1.43 -1.02 -5.07 118.68 120.80 3hjm s LEU 201 Ca 0.34 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 3hjm s LEU 201 Cb 0.18 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.76 3hjm s LEU 201 CO 0.28 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.98 3hjm s PRO 202 N -0.49 2.89 0.10 1.29 0.04 -1.26 -4.72 135.00 132.85 3hjm s PRO 202 Ca 0.25 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.16 3hjm s PRO 202 Cb -0.16 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3hjm s PRO 202 CO 0.13 -1.14 1.62 0.82 0.04 0.00 0.00 177.00 178.46 3hjm h ILE 203 N -0.54 1.19 -2.87 0.56 2.04 -1.95 0.19 117.51 116.12 3hjm h ILE 203 Ca -0.44 -0.59 -0.45 0.00 1.00 0.00 0.00 64.86 64.37 3hjm h ILE 203 Cb 1.22 1.11 -0.14 0.00 -0.74 0.00 0.00 36.82 38.27 3hjm h ILE 203 CO 0.56 0.19 -0.69 0.20 0.00 0.00 0.00 178.15 178.41 3hjm s ASN 204 N -5.71 2.49 0.22 1.72 0.01 -1.26 -0.75 114.94 111.65 3hjm s ASN 204 Ca -0.14 -1.14 0.26 0.00 -0.71 0.00 0.00 52.86 51.13 3hjm s ASN 204 Cb 0.08 -0.12 0.69 0.00 0.41 0.00 0.00 41.25 42.31 3hjm s ASN 204 CO 0.72 -0.32 1.69 1.23 -1.51 0.00 0.00 177.10 178.91 3hjm h GLY 205 N 2.42 0.00 -2.19 0.66 0.00 -1.89 -3.21 103.07 98.86 3hjm h GLY 205 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hjm h GLY 205 CO 0.65 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.35 3hjm n ASN 206 N -2.33 3.20 0.00 0.19 0.23 -1.26 -4.94 115.26 110.35 3hjm n ASN 206 Ca 0.05 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 3hjm n ASN 206 Cb 0.44 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3hjm n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hjm n GLY 207 N 1.45 1.39 3.80 4.83 0.00 -1.21 -5.00 105.19 110.45 3hjm n GLY 207 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3hjm n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjm s LYS 208 N -0.15 4.40 0.00 1.61 1.02 -1.26 -4.97 119.74 120.40 3hjm s LYS 208 Ca 0.00 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3hjm s LYS 208 Cb 0.00 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3hjm s LYS 208 CO 0.00 0.19 0.00 0.00 -0.92 0.00 0.00 175.35 174.62