#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jqj n PRO 11 N 0.00 2.01 -3.89 -0.14 -0.02 -1.26 -5.01 135.00 126.70 3jqj n PRO 11 Ca 0.00 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3jqj n PRO 11 Cb 0.00 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 30.90 3jqj n PRO 11 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3jqj s ARG 12 N 0.45 0.05 -0.90 -0.52 0.52 -1.26 -5.08 118.95 112.20 3jqj s ARG 12 Ca 0.76 -0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 55.73 3jqj s ARG 12 Cb -0.70 0.02 0.19 0.00 0.52 0.00 0.00 34.95 34.98 3jqj s ARG 12 CO 0.42 -0.01 0.95 1.41 0.02 0.00 0.00 175.30 178.10 3jqj s MET 13 N -0.21 3.67 -0.01 3.54 -2.45 -1.26 -4.90 119.30 117.68 3jqj s MET 13 Ca -0.02 -2.28 -0.01 0.00 -1.25 0.00 0.00 55.69 52.12 3jqj s MET 13 Cb -0.01 -4.64 -0.00 0.00 1.25 0.00 0.00 34.83 31.42 3jqj s MET 13 CO -0.00 -1.48 0.03 0.28 1.05 0.00 0.00 175.02 174.90 3jqj n VAL 14 N 4.44 0.00 -2.54 10.11 0.31 -1.26 -4.74 118.33 124.65 3jqj n VAL 14 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.09 3jqj n VAL 14 Cb 0.47 -0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.37 3jqj n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3jqj s ASP 15 N 0.06 6.66 -0.20 4.52 -1.08 -1.26 -4.86 116.67 120.51 3jqj s ASP 15 Ca 0.02 0.79 0.16 0.00 -0.52 0.00 0.00 52.55 53.00 3jqj s ASP 15 Cb -0.03 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.41 3jqj s ASP 15 CO 0.02 -1.17 1.43 1.33 0.52 0.00 0.00 175.17 177.29 3jqj n VAL 16 N 6.55 2.33 0.10 1.11 0.24 -1.26 -4.62 118.33 122.77 3jqj n VAL 16 Ca 0.13 -2.02 0.15 0.00 -2.04 0.00 0.00 64.34 60.56 3jqj n VAL 16 Cb 0.48 -0.27 0.65 0.00 -1.47 0.00 0.00 33.84 33.23 3jqj n VAL 16 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3jqj h THR 17 N 1.61 0.86 -0.28 3.34 2.02 -1.94 -2.06 112.91 116.44 3jqj h THR 17 Ca 0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3jqj h THR 17 Cb 1.48 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 3jqj h THR 17 CO 0.25 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 3jqj n GLU 18 N -4.45 2.77 -3.35 6.66 1.02 -1.26 -5.00 120.64 117.02 3jqj n GLU 18 Ca 0.05 -2.89 -0.27 0.00 -0.02 0.00 0.00 57.16 54.03 3jqj n GLU 18 Cb 0.38 -1.85 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 3jqj n GLU 18 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3jqj s LYS 19 N -2.90 3.56 0.40 3.49 1.02 -0.78 -5.04 119.74 119.50 3jqj s LYS 19 Ca 0.43 -0.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.01 3jqj s LYS 19 Cb 0.35 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.91 3jqj s LYS 19 CO 0.08 0.19 1.35 -1.25 -0.92 0.00 0.00 175.35 174.79 3jqj s PRO 20 N -3.88 3.97 -0.36 -1.68 0.04 -1.26 -4.85 135.00 126.99 3jqj s PRO 20 Ca 0.42 2.27 -0.23 0.00 0.04 0.00 0.00 61.00 63.50 3jqj s PRO 20 Cb -0.10 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.65 3jqj s PRO 20 CO 0.33 -0.53 0.76 -2.00 0.04 0.00 0.00 177.00 175.60 3jqj s GLU 21 N -2.21 3.75 0.20 4.56 2.56 -1.26 -4.25 118.70 122.05 3jqj s GLU 21 Ca 0.56 0.28 -0.03 0.00 0.00 0.00 0.00 54.97 55.79 3jqj s GLU 21 Cb -0.40 -3.80 -0.03 0.00 2.00 0.00 0.00 34.13 31.89 3jqj s GLU 21 CO 0.53 -0.82 0.17 0.95 -0.56 0.00 0.00 175.26 175.53 3jqj s THR 22 N 3.02 0.01 0.30 -1.70 -4.23 -0.75 -4.92 115.64 107.39 3jqj s THR 22 Ca 0.30 -1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 3jqj s THR 22 Cb -0.13 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.21 3jqj s THR 22 CO 0.16 -0.06 1.17 -0.36 -0.54 0.00 0.00 174.62 174.99 3jqj s PHE 23 N -4.12 3.38 0.03 3.99 0.40 -1.26 -1.60 117.98 118.79 3jqj s PHE 23 Ca 0.35 1.60 0.06 0.00 -0.60 0.00 0.00 56.93 58.33 3jqj s PHE 23 Cb 0.06 -3.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 3jqj s PHE 23 CO 0.10 -1.02 -0.17 1.03 0.70 0.00 0.00 175.22 175.87 3jqj s ARG 24 N -1.62 1.17 -0.06 0.44 1.81 0.12 -4.16 118.95 116.65 3jqj s ARG 24 Ca 0.47 -0.78 -0.16 0.00 -1.72 0.00 0.00 55.73 53.54 3jqj s ARG 24 Cb -0.34 -1.21 0.03 0.00 -0.45 0.00 0.00 34.95 32.98 3jqj s ARG 24 CO 0.45 0.31 0.37 -0.08 -0.68 0.00 0.00 175.30 175.67 3jqj s THR 25 N -0.73 0.03 -0.14 0.02 -1.32 -1.09 -1.74 115.64 110.68 3jqj s THR 25 Ca 0.05 -0.29 -0.13 0.00 -1.21 0.00 0.00 61.69 60.11 3jqj s THR 25 Cb -0.08 -0.63 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 3jqj s THR 25 CO 0.01 -0.16 0.38 0.00 -2.21 0.00 0.00 174.62 172.64 3jqj s ALA 26 N -0.85 -0.93 -0.04 11.08 0.00 -0.56 -1.67 121.76 128.78 3jqj s ALA 26 Ca -0.09 1.04 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3jqj s ALA 26 Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3jqj s ALA 26 CO 0.04 -0.18 -0.10 0.99 0.00 0.00 0.00 175.76 176.51 3jqj s THR 27 N 0.13 0.91 0.29 0.00 2.01 0.19 -1.01 115.64 118.16 3jqj s THR 27 Ca -0.01 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3jqj s THR 27 Cb -0.03 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3jqj s THR 27 CO 0.01 0.29 0.12 0.00 -0.69 0.00 0.00 174.62 174.35 3jqj s ALA 28 N 0.50 1.91 0.14 7.40 0.00 -0.32 0.00 121.76 131.41 3jqj s ALA 28 Ca -0.09 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 3jqj s ALA 28 Cb -0.13 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 3jqj s ALA 28 CO 0.02 -0.46 0.28 -1.83 0.00 0.00 0.00 175.76 173.77 3jqj s GLU 29 N -3.92 1.09 0.16 0.00 -1.05 -0.33 -1.58 118.70 113.06 3jqj s GLU 29 Ca 0.36 -1.07 -0.16 0.00 -0.15 0.00 0.00 54.97 53.95 3jqj s GLU 29 Cb 0.06 0.38 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 3jqj s GLU 29 CO 0.15 -0.39 0.44 0.00 0.95 0.00 0.00 175.26 176.41 3jqj s ALA 30 N -3.92 -0.84 0.07 -0.84 0.00 -0.01 -1.26 121.76 114.96 3jqj s ALA 30 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3jqj s ALA 30 Cb 0.03 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 3jqj s ALA 30 CO -0.04 -0.71 -0.09 -0.06 0.00 0.00 0.00 175.76 174.87 3jqj s PHE 31 N -3.85 0.87 -0.19 0.00 0.40 0.24 -0.61 117.98 114.85 3jqj s PHE 31 Ca 0.07 -0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 55.75 3jqj s PHE 31 Cb 0.01 -0.50 0.05 0.00 0.51 0.00 0.00 43.02 43.08 3jqj s PHE 31 CO -0.07 -0.07 -0.06 0.08 0.70 0.00 0.00 175.22 175.80 3jqj s VAL 32 N -2.26 1.29 -0.05 -0.44 1.01 -0.46 0.53 120.40 120.02 3jqj s VAL 32 Ca 0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3jqj s VAL 32 Cb -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3jqj s VAL 32 CO -0.01 0.09 1.08 -1.61 0.00 0.00 0.00 175.10 174.65 3jqj s GLU 33 N 1.54 4.43 -0.10 2.72 0.41 0.09 -1.50 118.70 126.29 3jqj s GLU 33 Ca -0.01 1.53 -0.04 0.00 -0.41 0.00 0.00 54.97 56.04 3jqj s GLU 33 Cb -0.16 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.64 3jqj s GLU 33 CO -0.08 -0.30 0.05 -0.51 -0.49 0.00 0.00 175.26 173.93 3jqj s LEU 34 N 1.78 3.85 0.78 1.80 1.43 -0.19 -3.46 118.68 124.68 3jqj s LEU 34 Ca 0.53 0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.78 3jqj s LEU 34 Cb -0.22 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.19 3jqj s LEU 34 CO 0.22 0.39 1.13 0.42 0.23 0.00 0.00 176.35 178.74 3jqj s THR 35 N -0.92 2.11 0.15 5.49 -4.23 -1.26 -4.82 115.64 112.17 3jqj s THR 35 Ca 0.14 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.36 3jqj s THR 35 Cb -0.12 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.76 3jqj s THR 35 CO 0.03 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 175.58 3jqj h GLU 36 N -0.93 0.56 -0.09 3.99 4.39 -1.98 -0.01 114.58 120.50 3jqj h GLU 36 Ca -0.45 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.24 3jqj h GLU 36 Cb 1.31 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3jqj h GLU 36 CO 0.59 0.39 -0.11 0.93 -1.16 0.00 0.00 179.01 179.65 3jqj h GLU 37 N 0.56 -0.14 -0.73 2.33 3.07 -1.93 0.75 114.58 118.48 3jqj h GLU 37 Ca 0.15 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3jqj h GLU 37 Cb -0.04 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3jqj h GLU 37 CO -0.03 -0.09 0.41 0.00 -1.40 0.00 0.00 179.01 177.89 3jqj h ALA 38 N 0.90 0.94 -0.44 3.43 0.00 -1.79 -0.06 119.26 122.24 3jqj h ALA 38 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3jqj h ALA 38 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3jqj h ALA 38 CO -0.18 0.45 0.20 1.25 0.00 0.00 0.00 179.25 180.98 3jqj h LEU 39 N 1.01 0.59 -0.12 0.00 5.85 -0.63 -0.10 115.31 121.91 3jqj h LEU 39 Ca 0.26 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3jqj h LEU 39 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3jqj h LEU 39 CO -0.04 0.56 0.06 -1.28 -0.34 0.00 0.00 178.44 177.40 3jqj h SER 40 N 0.57 0.10 -0.31 1.25 0.87 -0.47 -1.53 113.55 114.03 3jqj h SER 40 Ca 0.15 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3jqj h SER 40 Cb 0.14 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3jqj h SER 40 CO -0.02 0.08 0.11 0.00 -0.53 0.00 0.00 176.83 176.47 3jqj h ALA 41 N 1.06 0.36 -0.28 6.23 0.00 -0.77 -2.18 119.26 123.67 3jqj h ALA 41 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3jqj h ALA 41 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3jqj h ALA 41 CO -0.03 -0.28 -0.18 1.25 0.00 0.00 0.00 179.25 180.01 3jqj h LEU 42 N 0.25 -0.58 -2.17 0.00 6.46 -0.68 0.26 115.31 118.86 3jqj h LEU 42 Ca 0.14 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3jqj h LEU 42 Cb 0.10 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3jqj h LEU 42 CO -0.13 -0.21 -0.04 -0.33 -0.62 0.00 0.00 178.44 177.10 3jqj h GLU 43 N -0.15 0.00 -0.01 1.25 5.08 -0.98 -0.02 114.58 119.76 3jqj h GLU 43 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3jqj h GLU 43 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3jqj h GLU 43 CO -0.37 0.04 -0.05 1.63 -1.00 0.00 0.00 179.01 179.26 3jqj n LYS 44 N -4.05 0.99 0.00 2.33 5.02 -0.27 -4.89 118.16 117.29 3jqj n LYS 44 Ca -0.03 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 3jqj n LYS 44 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3jqj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 45 N 1.18 0.93 0.00 0.72 0.00 -0.02 -5.01 105.19 102.98 3jqj n GLY 45 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3jqj n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jqj n GLY 46 N -1.41 0.43 0.65 -0.02 0.00 -0.08 -3.85 105.19 100.92 3jqj n GLY 46 Ca 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 46.02 43.79 3jqj n GLY 46 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jqj n VAL 47 N 0.11 0.95 0.00 1.61 0.24 -1.26 -4.55 118.33 115.43 3jqj n VAL 47 Ca 0.00 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 3jqj n VAL 47 Cb 0.00 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3jqj n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jqj n GLY 48 N 0.56 1.06 0.25 7.63 0.00 -1.26 -4.96 105.19 108.47 3jqj n GLY 48 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3jqj n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jqj n LYS 49 N -0.50 0.74 0.00 1.61 5.02 -1.26 -5.06 118.16 118.70 3jqj n LYS 49 Ca 0.00 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3jqj n LYS 49 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3jqj n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 50 N 1.40 1.28 3.61 0.72 0.00 -1.26 -4.99 105.19 105.95 3jqj n GLY 50 Ca 0.10 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3jqj n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jqj s ASP 51 N 0.00 5.93 0.18 1.61 -1.08 -1.25 -4.49 116.67 117.58 3jqj s ASP 51 Ca 0.00 1.64 -0.14 0.00 -0.52 0.00 0.00 52.55 53.53 3jqj s ASP 51 Cb 0.00 -2.52 0.17 0.00 -1.46 0.00 0.00 42.92 39.11 3jqj s ASP 51 CO 0.00 -1.62 1.69 -0.65 0.52 0.00 0.00 175.17 175.11 3jqj h PRO 52 N 12.78 0.14 -0.44 4.34 0.11 -1.87 -2.31 132.00 144.75 3jqj h PRO 52 Ca -0.37 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 3jqj h PRO 52 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3jqj h PRO 52 CO 1.00 0.09 -0.22 -0.07 -0.21 0.00 0.00 178.00 178.59 3jqj h LEU 53 N 0.14 0.90 -0.28 2.35 3.38 -1.92 -1.68 115.31 118.21 3jqj h LEU 53 Ca 0.24 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3jqj h LEU 53 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3jqj h LEU 53 CO -0.37 1.09 -0.11 0.58 0.09 0.00 0.00 178.44 179.71 3jqj h VAL 54 N 0.77 1.29 -0.48 1.22 2.07 -1.87 -1.45 116.25 117.80 3jqj h VAL 54 Ca 0.10 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 3jqj h VAL 54 Cb 0.77 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3jqj h VAL 54 CO 0.06 0.37 -0.13 0.58 0.02 0.00 0.00 177.57 178.47 3jqj h VAL 55 N 0.31 1.27 -0.49 2.57 2.07 -1.41 -2.85 116.25 117.71 3jqj h VAL 55 Ca 0.06 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 3jqj h VAL 55 Cb 0.61 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3jqj h VAL 55 CO 0.04 0.43 -0.15 0.00 0.02 0.00 0.00 177.57 177.91 3jqj h ALA 56 N 1.05 0.68 -0.81 1.67 0.00 -1.26 -1.65 119.26 118.94 3jqj h ALA 56 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3jqj h ALA 56 Cb 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3jqj h ALA 56 CO 0.05 0.62 0.44 0.37 0.00 0.00 0.00 179.25 180.73 3jqj h GLN 57 N 0.83 1.13 -0.27 0.00 -0.00 -1.18 -0.35 115.11 115.27 3jqj h GLN 57 Ca 0.12 -0.14 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 3jqj h GLN 57 Cb 0.72 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.98 3jqj h GLN 57 CO 0.06 0.84 -0.50 -0.07 0.00 0.00 0.00 178.83 179.16 3jqj h LEU 58 N 1.12 0.81 -1.35 -2.39 3.38 -1.43 -2.85 115.31 112.61 3jqj h LEU 58 Ca 0.28 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3jqj h LEU 58 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3jqj h LEU 58 CO -0.04 1.17 0.33 0.00 0.09 0.00 0.00 178.44 179.98 3jqj h ALA 59 N 0.86 1.51 -0.53 1.53 0.00 -0.80 -1.82 119.26 120.02 3jqj h ALA 59 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3jqj h ALA 59 Cb 1.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3jqj h ALA 59 CO 0.10 0.42 0.06 0.78 0.00 0.00 0.00 179.25 180.61 3jqj h GLY 60 N 0.83 0.96 1.05 0.00 0.00 -0.87 0.51 103.07 105.54 3jqj h GLY 60 Ca 0.20 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3jqj h GLY 60 CO -0.04 0.61 0.09 -2.22 0.00 0.00 0.00 176.54 174.98 3jqj h ILE 61 N 0.77 1.26 -0.39 2.60 2.04 -1.23 -2.08 117.51 120.48 3jqj h ILE 61 Ca 0.16 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 3jqj h ILE 61 Cb 0.44 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3jqj h ILE 61 CO 0.02 0.38 -0.18 -0.07 0.00 0.00 0.00 178.15 178.29 3jqj h LEU 62 N 0.93 0.73 -0.82 1.44 3.38 -1.13 -2.98 115.31 116.86 3jqj h LEU 62 Ca 0.19 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3jqj h LEU 62 Cb 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3jqj h LEU 62 CO 0.01 0.91 0.15 0.00 0.09 0.00 0.00 178.44 179.60 3jqj h ALA 63 N 1.15 1.03 -0.65 1.53 0.00 -0.64 -2.31 119.26 119.38 3jqj h ALA 63 Ca 0.10 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3jqj h ALA 63 Cb 0.66 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3jqj h ALA 63 CO 0.05 0.63 0.33 0.00 0.00 0.00 0.00 179.25 180.26 3jqj h ALA 64 N 1.17 0.87 0.00 0.00 0.00 -1.22 -0.71 119.26 119.38 3jqj h ALA 64 Ca 0.21 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3jqj h ALA 64 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3jqj h ALA 64 CO 0.00 -0.04 -0.26 0.87 0.00 0.00 0.00 179.25 179.82 3jqj h LYS 65 N 0.59 0.00 -0.08 0.00 1.57 -1.43 -2.87 116.57 114.35 3jqj h LYS 65 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3jqj h LYS 65 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3jqj h LYS 65 CO -0.23 0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 3jqj n LYS 66 N -3.62 1.88 -0.22 3.15 5.02 -0.38 -4.56 118.16 119.44 3jqj n LYS 66 Ca -0.01 -1.29 0.02 0.00 -2.02 0.00 0.00 58.31 55.01 3jqj n LYS 66 Cb 0.39 -1.46 0.12 0.00 -0.02 0.00 0.00 35.03 34.06 3jqj n LYS 66 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3jqj h THR 67 N 2.96 0.49 0.00 -0.18 2.02 -1.03 -1.03 112.91 116.14 3jqj h THR 67 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3jqj h THR 67 Cb 0.63 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3jqj h THR 67 CO 0.00 0.03 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 3jqj h ALA 68 N 1.58 1.26 0.00 6.16 0.00 -1.84 -0.76 119.26 125.65 3jqj h ALA 68 Ca 0.35 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3jqj h ALA 68 Cb 0.57 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3jqj h ALA 68 CO -0.53 0.03 -0.81 0.22 0.00 0.00 0.00 179.25 178.15 3jqj h ASP 69 N 0.00 0.00 0.22 0.00 3.58 -1.52 -3.38 116.42 115.32 3jqj h ASP 69 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.11 3jqj h ASP 69 Cb 0.09 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 3jqj h ASP 69 CO 0.00 0.52 -2.04 0.18 -2.88 0.00 0.00 179.24 175.03 3jqj n LEU 70 N -3.11 1.50 -4.42 2.28 4.77 -0.49 -4.79 117.00 112.75 3jqj n LEU 70 Ca -0.02 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 3jqj n LEU 70 Cb 0.77 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3jqj n LEU 70 CO 0.41 0.62 -0.10 -0.63 -1.33 0.00 0.00 177.39 176.37 3jqj s ILE 71 N -2.55 4.98 0.24 -0.08 -1.09 -0.41 -5.01 121.20 117.27 3jqj s ILE 71 Ca -0.15 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 3jqj s ILE 71 Cb 0.07 -3.80 0.31 0.00 -1.58 0.00 0.00 42.46 37.46 3jqj s ILE 71 CO 0.78 -0.31 1.56 -0.65 -1.23 0.00 0.00 174.94 175.08 3jqj h PRO 72 N 8.56 -0.01 -0.45 2.79 0.11 -1.86 -2.22 132.00 138.92 3jqj h PRO 72 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jqj h PRO 72 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jqj h PRO 72 CO 0.72 -0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.78 3jqj n LEU 73 N -5.52 2.82 -4.76 2.35 4.77 -1.26 -4.94 117.00 110.45 3jqj n LEU 73 Ca 0.12 -1.34 -0.40 0.00 -0.03 0.00 0.00 56.01 54.36 3jqj n LEU 73 Cb 0.43 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3jqj n LEU 73 CO -0.12 0.67 0.83 0.00 -1.33 0.00 0.00 177.39 177.44 3jqj s HIS 75 N -1.21 3.78 -0.17 0.00 3.76 -1.26 -4.84 115.29 115.35 3jqj s HIS 75 Ca 0.47 1.77 -0.28 0.00 -0.15 0.00 0.00 55.06 56.87 3jqj s HIS 75 Cb -0.33 -2.89 -0.00 0.00 1.11 0.00 0.00 32.58 30.46 3jqj s HIS 75 CO 0.43 0.31 0.98 -2.14 -0.85 0.00 0.00 174.74 173.47 3jqj s PRO 76 N -1.75 4.33 0.04 8.40 0.02 -1.26 -4.73 135.00 140.05 3jqj s PRO 76 Ca 0.46 1.30 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 3jqj s PRO 76 Cb -0.21 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.70 3jqj s PRO 76 CO 0.26 -0.44 -0.03 -0.48 -0.33 0.00 0.00 177.00 175.98 3jqj s LEU 77 N 2.49 2.37 0.28 -5.54 0.05 -1.26 -5.13 118.68 111.95 3jqj s LEU 77 Ca 0.44 -0.77 -0.29 0.00 0.05 0.00 0.00 54.13 53.57 3jqj s LEU 77 Cb -0.17 0.13 -0.09 0.00 -2.05 0.00 0.00 46.19 44.01 3jqj s LEU 77 CO 0.12 -0.45 1.07 -2.16 -0.55 0.00 0.00 176.35 174.39 3jqj s PRO 78 N -2.76 4.66 -0.13 1.48 0.04 -1.26 -5.01 135.00 132.02 3jqj s PRO 78 Ca -0.03 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 3jqj s PRO 78 Cb -0.01 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 3jqj s PRO 78 CO -0.05 0.25 -0.03 -0.51 0.04 0.00 0.00 177.00 176.70 3jqj s LEU 79 N -1.44 3.34 -0.01 -3.56 1.43 -1.26 -4.66 118.68 112.52 3jqj s LEU 79 Ca 0.44 -0.05 0.17 0.00 -1.03 0.00 0.00 54.13 53.66 3jqj s LEU 79 Cb -0.31 -1.79 -0.21 0.00 0.03 0.00 0.00 46.19 43.91 3jqj s LEU 79 CO 0.39 0.24 0.60 0.35 0.23 0.00 0.00 176.35 178.16 3jqj n THR 80 N 3.09 0.00 -3.65 5.49 -2.24 -0.55 -4.98 114.28 111.44 3jqj n THR 80 Ca -0.18 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3jqj n THR 80 Cb 0.53 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 3jqj n THR 80 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3jqj s GLY 81 N -3.07 -0.52 -0.09 3.38 0.00 -1.07 -4.97 107.32 100.99 3jqj s GLY 81 Ca 0.02 1.98 -0.04 0.00 0.00 0.00 0.00 44.72 46.68 3jqj s GLY 81 CO 0.70 1.84 0.17 0.14 0.00 0.00 0.00 173.10 175.96 3jqj s VAL 82 N 0.85 -0.23 -0.04 1.40 1.01 -1.26 -0.78 120.40 121.35 3jqj s VAL 82 Ca -0.04 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3jqj s VAL 82 Cb -0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3jqj s VAL 82 CO -0.07 0.13 -0.16 -1.61 0.00 0.00 0.00 175.10 173.39 3jqj s GLU 83 N 2.06 1.63 -0.01 2.72 0.41 -0.27 -5.00 118.70 120.24 3jqj s GLU 83 Ca 0.00 -0.56 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 3jqj s GLU 83 Cb -0.12 -1.43 0.01 0.00 -1.78 0.00 0.00 34.13 30.80 3jqj s GLU 83 CO -0.06 0.22 -0.00 0.08 -0.49 0.00 0.00 175.26 175.01 3jqj s VAL 84 N 0.05 0.06 -0.04 2.63 1.01 -1.26 -1.09 120.40 121.76 3jqj s VAL 84 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3jqj s VAL 84 Cb -0.11 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.20 3jqj s VAL 84 CO 0.02 0.04 -0.07 -0.60 0.00 0.00 0.00 175.10 174.49 3jqj s ARG 85 N 0.27 1.06 -0.19 2.72 3.52 -0.16 -5.00 118.95 121.17 3jqj s ARG 85 Ca -0.02 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 3jqj s ARG 85 Cb -0.04 -0.98 0.04 0.00 -1.56 0.00 0.00 34.95 32.41 3jqj s ARG 85 CO -0.01 -0.01 -0.12 0.08 -0.81 0.00 0.00 175.30 174.43 3jqj s VAL 86 N 0.66 1.75 0.06 7.11 1.01 -1.26 -1.22 120.40 128.50 3jqj s VAL 86 Ca -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3jqj s VAL 86 Cb -0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3jqj s VAL 86 CO 0.01 0.25 -0.09 -1.83 0.00 0.00 0.00 175.10 173.44 3jqj s GLU 87 N 1.36 0.64 -0.17 2.72 -1.05 -0.48 -4.93 118.70 116.80 3jqj s GLU 87 Ca -0.00 -0.87 -0.19 0.00 -0.15 0.00 0.00 54.97 53.76 3jqj s GLU 87 Cb -0.16 -0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.06 3jqj s GLU 87 CO -0.09 0.08 0.52 -1.17 0.95 0.00 0.00 175.26 175.55 3jqj s LEU 88 N -1.77 4.20 -0.91 1.83 0.20 -1.26 -0.92 118.68 120.05 3jqj s LEU 88 Ca -0.06 0.75 -0.06 0.00 0.69 0.00 0.00 54.13 55.45 3jqj s LEU 88 Cb -0.09 -2.73 0.23 0.00 -0.43 0.00 0.00 46.19 43.18 3jqj s LEU 88 CO 0.01 -0.12 0.83 -0.76 -0.29 0.00 0.00 176.35 176.01 3jqj s LEU 89 N 1.27 5.95 0.16 -0.68 1.43 0.62 -4.96 118.68 122.47 3jqj s LEU 89 Ca 0.25 -3.38 -0.29 0.00 -1.03 0.00 0.00 54.13 49.68 3jqj s LEU 89 Cb -0.15 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3jqj s LEU 89 CO 0.10 -0.31 1.55 0.11 0.23 0.00 0.00 176.35 178.03 3jqj h LYS 90 N 6.66 -0.13 -0.81 1.70 1.57 -1.95 -1.43 116.57 122.19 3jqj h LYS 90 Ca 0.13 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3jqj h LYS 90 Cb 0.89 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 3jqj h LYS 90 CO 0.86 -0.09 0.50 0.00 -0.57 0.00 0.00 179.45 180.15 3jqj h ALA 91 N 0.47 1.10 0.00 3.86 0.00 -1.95 -1.72 119.26 121.02 3jqj h ALA 91 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3jqj h ALA 91 Cb 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3jqj h ALA 91 CO -0.82 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.06 3jqj n GLU 92 N -4.65 0.26 -3.57 0.00 1.02 -0.85 -4.91 120.64 107.94 3jqj n GLU 92 Ca 0.11 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.08 3jqj n GLU 92 Cb 0.16 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.15 3jqj n GLU 92 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3jqj n LYS 93 N -1.36 -6.36 -3.54 3.49 5.02 -0.60 -4.89 118.16 109.93 3jqj n LYS 93 Ca 0.11 0.77 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 3jqj n LYS 93 Cb 0.25 -5.67 -0.04 0.00 -0.02 0.00 0.00 35.03 29.55 3jqj n LYS 93 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3jqj s ARG 94 N -5.78 1.13 -0.16 1.97 1.70 -1.12 -1.03 118.95 115.65 3jqj s ARG 94 Ca 0.16 -0.44 -0.06 0.00 -0.47 0.00 0.00 55.73 54.91 3jqj s ARG 94 Cb -0.07 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 3jqj s ARG 94 CO 0.76 -0.45 0.04 0.08 -1.08 0.00 0.00 175.30 174.65 3jqj s VAL 95 N -3.26 4.60 -0.13 4.99 1.01 -0.57 -0.27 120.40 126.77 3jqj s VAL 95 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3jqj s VAL 95 Cb -0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3jqj s VAL 95 CO -0.08 0.49 -0.04 -0.60 0.00 0.00 0.00 175.10 174.86 3jqj s ARG 96 N 0.18 3.46 -0.06 2.72 3.52 -0.10 -1.35 118.95 127.32 3jqj s ARG 96 Ca 0.03 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.16 3jqj s ARG 96 Cb -0.13 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 3jqj s ARG 96 CO 0.01 0.35 -0.21 0.42 -0.81 0.00 0.00 175.30 175.06 3jqj s ILE 97 N 0.06 2.46 0.03 4.11 1.01 0.22 -1.39 121.20 127.71 3jqj s ILE 97 Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3jqj s ILE 97 Cb -0.13 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3jqj s ILE 97 CO 0.03 0.57 -0.11 -1.61 0.00 0.00 0.00 174.94 173.82 3jqj s GLU 98 N -0.27 0.75 -0.12 2.79 2.02 -0.36 -0.83 118.70 122.68 3jqj s GLU 98 Ca 0.00 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.23 3jqj s GLU 98 Cb -0.13 -0.70 0.04 0.00 0.10 0.00 0.00 34.13 33.44 3jqj s GLU 98 CO 0.03 0.17 0.32 0.00 0.02 0.00 0.00 175.26 175.79 3jqj s ALA 99 N -0.86 -0.78 -0.09 5.21 0.00 -0.62 -0.99 121.76 123.64 3jqj s ALA 99 Ca -0.01 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3jqj s ALA 99 Cb -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3jqj s ALA 99 CO 0.01 -0.17 -0.14 0.99 0.00 0.00 0.00 175.76 176.45 3jqj s THR 100 N 0.49 1.34 0.01 0.00 2.01 -0.25 -1.17 115.64 118.08 3jqj s THR 100 Ca -0.03 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.48 3jqj s THR 100 Cb -0.04 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 3jqj s THR 100 CO -0.03 0.41 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.37 3jqj s VAL 101 N 0.81 1.97 0.09 3.82 1.01 -0.18 -1.11 120.40 126.81 3jqj s VAL 101 Ca -0.11 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.72 3jqj s VAL 101 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3jqj s VAL 101 CO 0.02 0.45 -0.07 -0.54 0.00 0.00 0.00 175.10 174.95 3jqj s LYS 102 N -0.86 0.78 0.09 2.72 1.02 0.04 -1.50 119.74 122.02 3jqj s LYS 102 Ca 0.10 -1.20 -0.25 0.00 0.02 0.00 0.00 55.97 54.64 3jqj s LYS 102 Cb -0.10 -0.27 0.09 0.00 -0.52 0.00 0.00 37.83 37.04 3jqj s LYS 102 CO 0.00 0.01 1.14 -0.08 -0.92 0.00 0.00 175.35 175.50 3jqj s THR 103 N -3.03 0.00 -0.22 2.17 -1.32 -0.71 -1.48 115.64 111.05 3jqj s THR 103 Ca 0.07 -0.41 0.01 0.00 -1.21 0.00 0.00 61.69 60.14 3jqj s THR 103 Cb 0.01 -2.71 0.05 0.00 -1.51 0.00 0.00 72.50 68.34 3jqj s THR 103 CO -0.03 0.00 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.55 3jqj s LYS 104 N -2.26 1.89 0.15 7.08 2.20 -1.26 0.13 119.74 127.67 3jqj s LYS 104 Ca 0.22 -0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 3jqj s LYS 104 Cb -0.01 -2.54 0.04 0.00 -1.51 0.00 0.00 37.83 33.81 3jqj s LYS 104 CO 0.02 -0.51 0.50 0.00 -0.36 0.00 0.00 175.35 175.00 3jqj n ALA 105 N 4.65 -1.25 0.97 3.13 0.00 -0.62 -4.92 120.51 122.47 3jqj n ALA 105 Ca -0.14 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 52.81 3jqj n ALA 105 Cb 0.45 0.41 0.27 0.00 0.00 0.00 0.00 19.45 20.58 3jqj n ALA 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jqj n GLU 106 N -0.35 2.13 -4.06 0.00 1.02 -1.26 -1.81 120.64 116.32 3jqj n GLU 106 Ca -0.03 -1.67 -0.07 0.00 -0.02 0.00 0.00 57.16 55.37 3jqj n GLU 106 Cb 0.32 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 3jqj n GLU 106 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3jqj s THR 107 N -1.83 0.21 0.86 2.62 -4.23 -1.26 -4.76 115.64 107.25 3jqj s THR 107 Ca 0.34 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3jqj s THR 107 Cb 0.20 -1.43 0.12 0.00 1.34 0.00 0.00 72.50 72.74 3jqj s THR 107 CO 0.31 -0.94 1.23 -0.83 -0.54 0.00 0.00 174.62 173.84 3jqj s GLY 108 N -2.83 1.66 -0.22 3.99 0.00 -1.26 -4.95 107.32 103.71 3jqj s GLY 108 Ca 0.05 -0.87 0.11 0.00 0.00 0.00 0.00 44.72 44.01 3jqj s GLY 108 CO -0.10 -0.28 1.22 3.33 0.00 0.00 0.00 173.10 177.28 3jqj n VAL 109 N -3.47 2.24 -0.24 1.40 0.24 -1.26 -4.75 118.33 112.49 3jqj n VAL 109 Ca 0.11 -3.33 -0.06 0.00 -2.04 0.00 0.00 64.34 59.01 3jqj n VAL 109 Cb 0.60 -0.32 0.05 0.00 -1.47 0.00 0.00 33.84 32.70 3jqj n VAL 109 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3jqj h GLU 110 N 1.11 0.96 -0.54 7.34 3.07 -1.93 -2.65 114.58 121.94 3jqj h GLU 110 Ca 0.04 -0.13 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 3jqj h GLU 110 Cb 1.06 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 3jqj h GLU 110 CO 0.07 0.74 0.15 0.52 -1.40 0.00 0.00 179.01 179.10 3jqj h MET 111 N 0.93 0.82 -0.53 2.33 2.86 -1.99 -0.82 114.93 118.54 3jqj h MET 111 Ca 0.23 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3jqj h MET 111 Cb 0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3jqj h MET 111 CO -0.03 0.73 0.22 0.93 1.06 0.00 0.00 176.91 179.81 3jqj h GLU 112 N 0.80 0.78 -0.16 1.72 3.07 -1.82 0.29 114.58 119.25 3jqj h GLU 112 Ca 0.18 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 3jqj h GLU 112 Cb 0.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3jqj h GLU 112 CO -0.01 0.68 -0.01 0.00 -1.40 0.00 0.00 179.01 178.27 3jqj h ALA 113 N 1.07 0.22 -0.64 3.43 0.00 -1.15 -0.85 119.26 121.34 3jqj h ALA 113 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3jqj h ALA 113 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3jqj h ALA 113 CO -0.02 -0.06 0.33 0.52 0.00 0.00 0.00 179.25 180.03 3jqj h MET 114 N 0.03 0.90 -0.54 0.00 2.86 -1.00 -2.20 114.93 114.97 3jqj h MET 114 Ca 0.04 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3jqj h MET 114 Cb 0.41 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3jqj h MET 114 CO 0.01 0.70 -0.03 1.15 1.06 0.00 0.00 176.91 179.79 3jqj h THR 115 N 0.87 1.26 -0.42 2.22 2.02 -0.38 -0.65 112.91 117.83 3jqj h THR 115 Ca 0.22 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3jqj h THR 115 Cb 0.07 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3jqj h THR 115 CO -0.03 0.40 0.26 0.00 0.37 0.00 0.00 175.52 176.52 3jqj h ALA 116 N 1.09 0.54 -0.50 6.16 0.00 -0.89 -0.83 119.26 124.83 3jqj h ALA 116 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3jqj h ALA 116 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3jqj h ALA 116 CO 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3jqj h ALA 118 N 0.92 0.63 -0.10 0.00 0.00 -0.89 -1.39 119.26 118.43 3jqj h ALA 118 Ca 0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3jqj h ALA 118 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jqj h ALA 118 CO 0.03 0.35 -0.62 0.28 0.00 0.00 0.00 179.25 179.29 3jqj h VAL 119 N 0.65 1.37 -0.74 0.00 2.07 -1.13 -0.71 116.25 117.76 3jqj h VAL 119 Ca 0.14 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 3jqj h VAL 119 Cb 0.38 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3jqj h VAL 119 CO 0.01 0.59 0.27 0.00 0.02 0.00 0.00 177.57 178.46 3jqj h ALA 120 N 1.06 0.97 -0.48 1.67 0.00 -1.15 -0.57 119.26 120.75 3jqj h ALA 120 Ca -0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3jqj h ALA 120 Cb 1.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3jqj h ALA 120 CO 0.11 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.07 3jqj h ALA 121 N 1.13 0.64 -0.47 0.00 0.00 -0.99 -0.55 119.26 119.02 3jqj h ALA 121 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jqj h ALA 121 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3jqj h ALA 121 CO -0.01 0.35 0.23 -0.07 0.00 0.00 0.00 179.25 179.75 3jqj h LEU 122 N 0.66 0.59 -0.45 0.00 3.38 -0.79 -1.34 115.31 117.37 3jqj h LEU 122 Ca 0.15 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3jqj h LEU 122 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3jqj h LEU 122 CO 0.01 0.50 -0.60 0.74 0.09 0.00 0.00 178.44 179.18 3jqj h THR 123 N 0.66 1.32 -0.58 0.22 2.02 -0.60 0.02 112.91 115.97 3jqj h THR 123 Ca 0.17 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.47 3jqj h THR 123 Cb 0.07 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3jqj h THR 123 CO -0.02 0.58 0.30 0.58 0.37 0.00 0.00 175.52 177.33 3jqj h VAL 124 N 0.44 1.20 -0.12 3.16 2.07 -0.53 -0.01 116.25 122.45 3jqj h VAL 124 Ca -0.00 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3jqj h VAL 124 Cb 1.16 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3jqj h VAL 124 CO 0.11 0.22 0.05 0.22 0.02 0.00 0.00 177.57 178.20 3jqj h TYR 125 N 0.78 0.10 -0.58 1.57 3.20 -1.02 -1.94 116.97 119.08 3jqj h TYR 125 Ca 0.20 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3jqj h TYR 125 Cb 0.08 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3jqj h TYR 125 CO -0.01 0.06 0.38 0.22 -1.64 0.00 0.00 178.16 177.17 3jqj h ASP 126 N 0.12 0.58 0.87 -2.11 3.58 -0.53 0.25 116.42 119.17 3jqj h ASP 126 Ca 0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3jqj h ASP 126 Cb 0.01 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3jqj h ASP 126 CO -0.04 0.40 -0.03 0.23 -2.88 0.00 0.00 179.24 176.92 3jqj n MET 127 N -4.47 0.11 0.00 0.28 2.81 -0.06 -4.09 117.12 111.71 3jqj n MET 127 Ca 0.07 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3jqj n MET 127 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3jqj n MET 127 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3jqj n LEU 128 N -1.44 0.06 0.23 4.03 4.77 -0.79 -4.27 117.00 119.59 3jqj n LEU 128 Ca 0.09 -0.25 0.18 0.00 -0.03 0.00 0.00 56.01 55.99 3jqj n LEU 128 Cb 0.32 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.28 3jqj n LEU 128 CO 0.27 0.01 1.15 0.07 -1.33 0.00 0.00 177.39 177.56 3jqj h LYS 129 N 0.00 0.00 0.00 3.23 2.10 -0.68 0.12 116.57 121.34 3jqj h LYS 129 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3jqj h LYS 129 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3jqj h LYS 129 CO 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.43 3jqj h ALA 130 N 1.73 1.57 0.11 0.07 0.00 -1.84 -1.45 119.26 119.45 3jqj h ALA 130 Ca 0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 3jqj h ALA 130 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jqj h ALA 130 CO -0.00 0.03 -1.64 0.00 0.00 0.00 0.00 179.25 177.64 3jqj h ALA 131 N 1.98 0.36 -2.08 0.00 0.00 -1.14 -3.46 119.26 114.91 3jqj h ALA 131 Ca -0.00 -1.20 0.04 0.00 0.00 0.00 0.00 54.91 53.75 3jqj h ALA 131 Cb 0.06 0.38 -0.22 0.00 0.00 0.00 0.00 17.79 18.01 3jqj h ALA 131 CO 0.00 1.22 -0.19 -1.12 0.00 0.00 0.00 179.25 179.16 3jqj s SER 132 N -6.89 -0.94 0.34 0.00 0.01 -0.55 -4.71 113.70 100.94 3jqj s SER 132 Ca -0.11 1.41 0.26 0.00 1.31 0.00 0.00 55.95 58.82 3jqj s SER 132 Cb 0.07 2.08 0.76 0.00 0.21 0.00 0.00 66.02 69.14 3jqj s SER 132 CO 0.84 -0.22 1.74 0.11 0.41 0.00 0.00 173.24 176.11 3jqj h LYS 133 N 8.04 0.00 -0.00 12.44 1.79 -1.87 -3.26 116.57 133.72 3jqj h LYS 133 Ca -0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3jqj h LYS 133 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3jqj h LYS 133 CO 0.11 0.00 -0.01 0.41 -1.08 0.00 0.00 179.45 178.88 3jqj n GLY 134 N 0.87 -0.90 3.59 3.86 0.00 -1.26 -4.92 105.19 106.44 3jqj n GLY 134 Ca 0.04 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 3jqj n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jqj n LEU 135 N -0.88 1.87 -4.33 0.99 4.77 -1.23 -4.96 117.00 113.24 3jqj n LEU 135 Ca 0.21 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 57.03 3jqj n LEU 135 Cb 0.18 -1.30 -0.15 0.00 -2.33 0.00 0.00 43.42 39.82 3jqj n LEU 135 CO 0.19 -1.40 -0.50 -0.69 -1.33 0.00 0.00 177.39 173.66 3jqj s VAL 136 N -1.08 2.59 -0.17 4.08 1.01 -1.22 -4.99 120.40 120.62 3jqj s VAL 136 Ca 0.59 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 3jqj s VAL 136 Cb -0.69 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3jqj s VAL 136 CO 0.60 0.55 0.69 -0.63 0.00 0.00 0.00 175.10 176.31 3jqj s ILE 137 N 0.07 4.99 0.08 2.22 1.01 -1.26 -0.73 121.20 127.58 3jqj s ILE 137 Ca -0.08 1.34 0.04 0.00 0.00 0.00 0.00 60.65 61.95 3jqj s ILE 137 Cb -0.15 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3jqj s ILE 137 CO 0.05 0.12 -0.12 -0.94 0.00 0.00 0.00 174.94 174.05 3jqj s SER 138 N 1.10 1.50 -1.24 3.58 1.04 0.19 -4.93 113.70 114.94 3jqj s SER 138 Ca 0.33 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 3jqj s SER 138 Cb -0.16 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3jqj s SER 138 CO 0.12 -0.15 0.77 0.00 0.98 0.00 0.00 173.24 174.97 3jqj n GLN 139 N 1.10 -4.25 -2.47 4.02 1.13 -1.26 -0.59 117.38 115.05 3jqj n GLN 139 Ca -0.20 0.65 -0.43 0.00 -1.94 0.00 0.00 57.00 55.09 3jqj n GLN 139 Cb 0.55 -5.19 -0.02 0.00 0.11 0.00 0.00 30.24 25.69 3jqj n GLN 139 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3jqj s VAL 140 N -3.58 4.31 0.06 5.09 1.01 -1.26 -4.17 120.40 121.87 3jqj s VAL 140 Ca 0.12 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 3jqj s VAL 140 Cb -0.03 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3jqj s VAL 140 CO 0.80 -0.28 0.45 0.00 0.00 0.00 0.00 175.10 176.07 3jqj s ARG 141 N 3.68 0.99 0.24 2.72 1.70 -0.39 -5.00 118.95 122.90 3jqj s ARG 141 Ca 0.53 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 55.10 3jqj s ARG 141 Cb -0.18 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 3jqj s ARG 141 CO 0.16 -0.36 0.91 -1.17 -1.08 0.00 0.00 175.30 173.76 3jqj s LEU 142 N -2.18 4.60 -0.09 -1.89 2.96 -1.26 -1.18 118.68 119.63 3jqj s LEU 142 Ca -0.03 1.88 0.07 0.00 -0.22 0.00 0.00 54.13 55.82 3jqj s LEU 142 Cb -0.00 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 3jqj s LEU 142 CO -0.04 0.14 0.00 0.18 -1.32 0.00 0.00 176.35 175.31 3jqj n LEU 143 N 1.38 0.60 -3.47 -0.68 4.77 0.10 -4.66 117.00 115.04 3jqj n LEU 143 Ca -0.02 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3jqj n LEU 143 Cb 0.48 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3jqj n LEU 143 CO 0.49 0.32 0.53 -2.28 -1.33 0.00 0.00 177.39 175.11 3jqj s HIS 144 N -2.22 -0.47 -0.18 -1.77 5.04 -0.90 -0.77 115.29 114.02 3jqj s HIS 144 Ca -0.07 0.36 -0.29 0.00 -1.54 0.00 0.00 55.06 53.52 3jqj s HIS 144 Cb 0.03 0.54 0.13 0.00 0.04 0.00 0.00 32.58 33.32 3jqj s HIS 144 CO 0.35 -0.69 1.04 -1.59 -2.34 0.00 0.00 174.74 171.50 3jqj s LYS 145 N -3.21 0.53 0.10 2.88 0.00 -0.82 -0.63 119.74 118.59 3jqj s LYS 145 Ca 0.01 0.18 -0.10 0.00 0.00 0.00 0.00 55.97 56.06 3jqj s LYS 145 Cb -0.01 0.25 0.01 0.00 0.00 0.00 0.00 37.83 38.08 3jqj s LYS 145 CO -0.09 -0.16 0.24 0.00 0.00 0.00 0.00 175.35 175.34 3jqj s ALA 146 N -0.96 -0.38 0.00 0.59 0.00 -0.67 -0.73 121.76 119.61 3jqj s ALA 146 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3jqj s ALA 146 Cb -0.01 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.64 3jqj s ALA 146 CO -0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3jqj n GLY 147 N -0.10 2.48 0.08 0.00 0.00 -1.25 -2.66 105.19 103.75 3jqj n GLY 147 Ca -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.04 3jqj n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jqj n GLY 148 N 1.29 -1.32 0.42 -0.02 0.00 -1.26 -3.92 105.19 100.38 3jqj n GLY 148 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 3jqj n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3jqj h LYS 149 N -0.08 -0.67 -1.03 1.61 3.64 -1.98 -2.63 116.57 115.44 3jqj h LYS 149 Ca 0.00 0.05 0.30 0.00 -1.27 0.00 0.00 60.65 59.72 3jqj h LYS 149 Cb 0.07 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 3jqj h LYS 149 CO 0.00 -0.45 0.74 0.66 -2.27 0.00 0.00 179.45 178.13 3jqj h SER 150 N -0.70 0.04 0.00 4.20 4.64 -2.03 -3.47 113.55 116.23 3jqj h SER 150 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3jqj h SER 150 Cb 0.70 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3jqj h SER 150 CO -0.21 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.37 3jqj n GLY 151 N -1.72 -0.41 3.81 -0.77 0.00 -0.99 -4.89 105.19 100.22 3jqj n GLY 151 Ca 0.22 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 3jqj n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3jqj s GLU 152 N 0.00 4.27 0.00 1.61 2.12 -1.26 -3.78 118.70 121.66 3jqj s GLU 152 Ca 0.00 0.86 0.01 0.00 0.36 0.00 0.00 54.97 56.20 3jqj s GLU 152 Cb 0.00 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 3jqj s GLU 152 CO 0.00 0.45 -0.03 -0.46 -0.54 0.00 0.00 175.26 174.68 3jqj s TRP 153 N -1.42 0.28 -0.12 5.30 -0.00 0.09 -5.00 118.94 118.08 3jqj s TRP 153 Ca 0.40 -0.14 -0.09 0.00 -0.00 0.00 0.00 56.10 56.27 3jqj s TRP 153 Cb -0.18 -0.18 0.03 0.00 -0.00 0.00 0.00 33.47 33.15 3jqj s TRP 153 CO 0.21 -0.03 0.30 0.50 -0.00 0.00 0.00 176.95 177.94 3jqj s ARG 154 N -0.35 0.33 -0.13 5.86 3.52 -1.26 -1.94 118.95 124.99 3jqj s ARG 154 Ca -0.02 0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.76 3jqj s ARG 154 Cb -0.03 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 3jqj s ARG 154 CO -0.00 -0.07 1.33 0.50 -0.81 0.00 0.00 175.30 176.24 3jqj s ARG 155 N 0.46 4.24 -0.02 5.12 3.52 0.05 -4.89 118.95 127.43 3jqj s ARG 155 Ca -0.02 1.76 0.19 0.00 -0.13 0.00 0.00 55.73 57.52 3jqj s ARG 155 Cb -0.04 -3.77 -0.25 0.00 -1.56 0.00 0.00 34.95 29.32 3jqj s ARG 155 CO -0.02 -0.70 0.55 0.39 -0.81 0.00 0.00 175.30 174.71 3jqj n GLU 156 N 6.52 0.74 0.00 5.12 -0.58 -1.26 -5.00 120.64 126.18 3jqj n GLU 156 Ca 0.14 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3jqj n GLU 156 Cb 0.45 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 3jqj n GLU 156 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69