#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 1.12 -3.56 -0.14 -0.02 -1.26 -5.03 135.00 126.11 3jqj n PRO 11 Ca 0.00 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 3jqj n PRO 11 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 30.92 3jqj n PRO 11 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3jqj s ARG 12 N -3.32 0.67 -0.55 -0.52 1.70 -1.26 -5.09 118.95 110.58 3jqj s ARG 12 Ca 0.82 0.05 -0.20 0.00 -0.47 0.00 0.00 55.73 55.93 3jqj s ARG 12 Cb -0.38 0.31 0.07 0.00 -0.57 0.00 0.00 34.95 34.38 3jqj s ARG 12 CO 0.41 -0.23 0.72 1.41 -1.08 0.00 0.00 175.30 176.53 3jqj s MET 13 N -1.59 3.13 -0.03 3.89 -2.45 -1.26 -4.84 119.30 116.15 3jqj s MET 13 Ca -0.01 -0.89 -0.39 0.00 -1.25 0.00 0.00 55.69 53.15 3jqj s MET 13 Cb -0.01 -4.14 -0.18 0.00 1.25 0.00 0.00 34.83 31.75 3jqj s MET 13 CO -0.00 -1.39 1.30 0.28 1.05 0.00 0.00 175.02 176.26 3jqj n VAL 14 N 5.71 0.03 -2.13 10.11 0.31 -1.26 -4.83 118.33 126.28 3jqj n VAL 14 Ca -0.06 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 3jqj n VAL 14 Cb 0.45 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.81 6.34 -0.12 4.52 3.68 -1.26 -4.84 116.67 125.80 3jqj s ASP 15 Ca 0.90 1.53 0.17 0.00 2.13 0.00 0.00 52.55 57.28 3jqj s ASP 15 Cb -1.13 -2.53 0.26 0.00 -1.45 0.00 0.00 42.92 38.06 3jqj s ASP 15 CO 0.55 -1.31 1.13 1.33 0.13 0.00 0.00 175.17 177.01 3jqj n VAL 16 N 6.54 1.77 -0.28 1.11 0.24 -1.26 -4.80 118.33 121.65 3jqj n VAL 16 Ca 0.19 -2.11 0.06 0.00 -2.04 0.00 0.00 64.34 60.44 3jqj n VAL 16 Cb 0.46 -0.16 0.20 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.17 0.74 -0.39 3.34 2.02 -1.98 -1.65 112.91 115.17 3jqj h THR 17 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3jqj h THR 17 Cb 0.97 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3jqj h THR 17 CO 0.00 0.11 0.00 -0.62 0.37 0.00 0.00 175.52 175.38 3jqj n GLU 18 N -4.89 3.15 -3.63 6.66 1.02 -1.26 -4.89 120.64 116.79 3jqj n GLU 18 Ca 0.15 -1.91 -0.35 0.00 -0.02 0.00 0.00 57.16 55.03 3jqj n GLU 18 Cb 0.40 -1.84 -0.05 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 -1.94 3.72 0.54 3.49 1.02 -0.62 -5.07 119.74 120.88 3jqj s LYS 19 Ca 0.34 0.12 -0.19 0.00 0.02 0.00 0.00 55.97 56.26 3jqj s LYS 19 Cb 0.24 -3.04 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3jqj s LYS 19 CO 0.13 0.60 1.09 -1.25 -0.92 0.00 0.00 175.35 174.99 3jqj s PRO 20 N -1.79 3.44 -0.03 -1.68 0.04 -1.26 -4.77 135.00 128.96 3jqj s PRO 20 Ca 0.30 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 3jqj s PRO 20 Cb -0.14 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3jqj s PRO 20 CO 0.17 -0.74 0.89 -1.21 0.04 0.00 0.00 177.00 176.14 3jqj s GLU 21 N -3.46 4.51 0.07 4.56 2.02 -1.26 -4.26 118.70 120.87 3jqj s GLU 21 Ca 0.69 1.24 -0.08 0.00 0.02 0.00 0.00 54.97 56.84 3jqj s GLU 21 Cb -0.20 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 3jqj s GLU 21 CO 0.27 -0.02 0.17 0.95 0.02 0.00 0.00 175.26 176.65 3jqj s THR 22 N 0.99 0.14 0.23 3.63 -4.23 -0.90 -4.83 115.64 110.67 3jqj s THR 22 Ca 0.47 -1.14 -0.31 0.00 -1.18 0.00 0.00 61.69 59.53 3jqj s THR 22 Cb -0.20 -1.20 -0.12 0.00 1.34 0.00 0.00 72.50 72.33 3jqj s THR 22 CO 0.24 -0.63 1.67 0.12 -0.54 0.00 0.00 174.62 175.48 3jqj s PHE 23 N -3.41 2.87 0.01 3.99 5.36 -1.26 -2.33 117.98 123.20 3jqj s PHE 23 Ca 0.02 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3jqj s PHE 23 Cb 0.03 -4.10 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 3jqj s PHE 23 CO -0.08 -4.02 -0.05 1.03 -1.46 0.00 0.00 175.22 170.64 3jqj s ARG 24 N 0.62 0.35 0.03 10.12 0.52 0.25 -4.19 118.95 126.65 3jqj s ARG 24 Ca 0.71 -0.37 -0.08 0.00 -0.52 0.00 0.00 55.73 55.46 3jqj s ARG 24 Cb -0.49 -0.21 -0.00 0.00 0.52 0.00 0.00 34.95 34.77 3jqj s ARG 24 CO 0.37 0.05 0.16 -0.08 0.02 0.00 0.00 175.30 175.82 3jqj s THR 25 N -0.65 0.11 -0.12 0.02 -1.32 -0.82 -1.46 115.64 111.39 3jqj s THR 25 Ca -0.05 -0.89 -0.16 0.00 -1.21 0.00 0.00 61.69 59.38 3jqj s THR 25 Cb -0.05 -0.79 0.04 0.00 -1.51 0.00 0.00 72.50 70.19 3jqj s THR 25 CO -0.00 -0.49 0.43 0.00 -2.21 0.00 0.00 174.62 172.34 3jqj s ALA 26 N -2.28 -1.06 -0.04 11.08 0.00 -0.74 -0.96 121.76 127.75 3jqj s ALA 26 Ca -0.07 1.05 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3jqj s ALA 26 Cb -0.03 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3jqj s ALA 26 CO -0.03 -0.23 -0.07 0.99 0.00 0.00 0.00 175.76 176.42 3jqj s THR 27 N -0.20 0.71 0.30 0.00 2.01 0.96 -1.17 115.64 118.25 3jqj s THR 27 Ca -0.04 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.74 3jqj s THR 27 Cb -0.03 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3jqj s THR 27 CO 0.02 0.25 0.13 0.00 -0.69 0.00 0.00 174.62 174.33 3jqj s ALA 28 N 0.67 1.97 0.10 7.40 0.00 -0.27 0.29 121.76 131.93 3jqj s ALA 28 Ca -0.10 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 49.97 3jqj s ALA 28 Cb -0.13 1.05 0.01 0.00 0.00 0.00 0.00 23.12 24.04 3jqj s ALA 28 CO 0.01 -0.46 0.26 -1.83 0.00 0.00 0.00 175.76 173.74 3jqj s GLU 29 N -3.90 0.93 0.07 0.00 -1.05 -0.17 -1.66 118.70 112.91 3jqj s GLU 29 Ca 0.36 -0.89 -0.14 0.00 -0.15 0.00 0.00 54.97 54.14 3jqj s GLU 29 Cb 0.06 0.38 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 3jqj s GLU 29 CO 0.16 -0.32 0.31 0.00 0.95 0.00 0.00 175.26 176.36 3jqj s ALA 30 N -3.85 -0.68 0.08 -0.84 0.00 -0.24 -1.18 121.76 115.06 3jqj s ALA 30 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3jqj s ALA 30 Cb 0.04 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3jqj s ALA 30 CO -0.11 -0.48 -0.14 -0.06 0.00 0.00 0.00 175.76 174.97 3jqj s PHE 31 N -3.04 1.25 -0.16 0.00 0.40 -0.78 -0.39 117.98 115.26 3jqj s PHE 31 Ca -0.02 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3jqj s PHE 31 Cb 0.01 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.88 3jqj s PHE 31 CO -0.06 0.07 -0.12 0.08 0.70 0.00 0.00 175.22 175.89 3jqj s VAL 32 N -1.56 1.49 -0.13 -0.44 1.01 -0.53 -2.16 120.40 118.09 3jqj s VAL 32 Ca 0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3jqj s VAL 32 Cb -0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3jqj s VAL 32 CO 0.02 0.34 1.20 -1.61 0.00 0.00 0.00 175.10 175.05 3jqj s GLU 33 N 1.50 4.29 -0.01 2.72 8.01 0.32 -1.84 118.70 133.69 3jqj s GLU 33 Ca 0.03 1.61 -0.01 0.00 0.01 0.00 0.00 54.97 56.61 3jqj s GLU 33 Cb -0.14 -3.66 -0.04 0.00 -4.31 0.00 0.00 34.13 25.98 3jqj s GLU 33 CO -0.10 -0.58 0.11 -0.51 0.01 0.00 0.00 175.26 174.20 3jqj s LEU 34 N 2.90 4.03 0.61 1.80 1.43 -0.43 -2.80 118.68 126.23 3jqj s LEU 34 Ca 0.53 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3jqj s LEU 34 Cb -0.22 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.71 3jqj s LEU 34 CO 0.16 0.27 0.86 0.42 0.23 0.00 0.00 176.35 178.30 3jqj s THR 35 N -1.23 2.47 0.20 5.49 -4.23 -1.26 -4.83 115.64 112.25 3jqj s THR 35 Ca 0.24 -0.61 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 3jqj s THR 35 Cb -0.12 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 70.99 3jqj s THR 35 CO 0.15 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 175.94 3jqj h GLU 36 N -0.17 1.04 -0.64 3.99 4.57 -1.99 -1.50 114.58 119.88 3jqj h GLU 36 Ca -0.41 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 57.55 3jqj h GLU 36 Cb 1.29 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 3jqj h GLU 36 CO 0.49 0.81 0.09 0.93 -1.18 0.00 0.00 179.01 180.16 3jqj h GLU 37 N 1.01 1.06 -0.42 1.92 3.07 -1.94 -1.32 114.58 117.96 3jqj h GLU 37 Ca 0.25 -0.28 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3jqj h GLU 37 Cb 0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3jqj h GLU 37 CO -0.03 0.98 -0.17 0.00 -1.40 0.00 0.00 179.01 178.39 3jqj h ALA 38 N 1.10 0.92 -0.25 3.43 0.00 -1.78 -1.50 119.26 121.18 3jqj h ALA 38 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3jqj h ALA 38 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jqj h ALA 38 CO 0.01 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.12 3jqj h LEU 39 N 0.70 0.45 -0.09 0.00 5.85 -1.04 -0.27 115.31 120.91 3jqj h LEU 39 Ca 0.11 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3jqj h LEU 39 Cb 0.66 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3jqj h LEU 39 CO 0.05 0.66 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.36 3jqj h SER 40 N 0.22 -0.53 -0.50 1.25 0.87 -1.09 0.89 113.55 114.66 3jqj h SER 40 Ca 0.07 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3jqj h SER 40 Cb 0.45 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 3jqj h SER 40 CO 0.02 -0.23 0.27 0.00 -0.53 0.00 0.00 176.83 176.36 3jqj h ALA 41 N 0.76 0.64 -0.56 6.23 0.00 -1.18 -1.96 119.26 123.19 3jqj h ALA 41 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 41 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3jqj h ALA 41 CO -0.23 -0.05 0.35 1.25 0.00 0.00 0.00 179.25 180.57 3jqj h LEU 42 N 0.54 0.59 -2.04 0.00 5.85 -0.43 0.38 115.31 120.20 3jqj h LEU 42 Ca 0.21 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3jqj h LEU 42 Cb 0.08 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3jqj h LEU 42 CO -0.12 0.42 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.98 3jqj h GLU 43 N 0.71 0.00 -0.41 1.25 5.08 -0.37 -1.86 114.58 118.97 3jqj h GLU 43 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3jqj h GLU 43 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3jqj h GLU 43 CO -0.08 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3jqj n LYS 44 N -3.54 2.21 0.00 2.33 5.02 -0.53 -4.91 118.16 118.74 3jqj n LYS 44 Ca -0.02 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 3jqj n LYS 44 Cb 0.21 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.35 0.71 0.00 0.72 0.00 -0.70 -5.00 105.19 102.28 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 -1.59 -0.48 0.97 -0.02 0.00 0.12 -3.96 105.19 100.23 3jqj n GLY 46 Ca 0.00 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.54 0.00 1.61 0.24 -1.26 -4.61 118.33 114.85 3jqj n VAL 47 Ca 0.00 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 3jqj n VAL 47 Cb 0.00 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 1.20 1.12 0.21 7.63 0.00 -1.26 -4.97 105.19 109.12 3jqj n GLY 48 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.29 0.61 0.00 1.61 5.02 -1.26 -5.07 118.16 118.78 3jqj n LYS 49 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 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 1.42 0.86 3.62 0.72 0.00 -1.26 -5.00 105.19 105.55 3jqj n GLY 50 Ca 0.09 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.19 6.11 0.18 1.61 -1.08 -1.25 -4.47 116.67 117.57 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 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.08 3jqj s ASP 51 CO 0.00 -1.47 1.72 -0.65 0.52 0.00 0.00 175.17 175.29 3jqj h PRO 52 N 11.94 0.22 -0.52 4.34 0.11 -1.87 -2.57 132.00 143.66 3jqj h PRO 52 Ca -0.36 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 3jqj h PRO 52 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3jqj h PRO 52 CO 1.00 0.15 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.77 3jqj h LEU 53 N 0.23 0.95 -0.26 2.35 3.38 -1.94 -1.48 115.31 118.53 3jqj h LEU 53 Ca 0.22 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3jqj h LEU 53 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3jqj h LEU 53 CO -0.29 1.06 0.01 0.58 0.09 0.00 0.00 178.44 179.89 3jqj h VAL 54 N 0.86 1.25 -0.36 1.22 2.07 -1.91 -1.09 116.25 118.29 3jqj h VAL 54 Ca 0.14 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 3jqj h VAL 54 Cb 0.64 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3jqj h VAL 54 CO 0.04 0.28 -0.22 0.58 0.02 0.00 0.00 177.57 178.27 3jqj h VAL 55 N 0.24 1.27 -0.51 2.57 2.07 -1.45 -2.89 116.25 117.54 3jqj h VAL 55 Ca 0.07 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 3jqj h VAL 55 Cb 0.40 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3jqj h VAL 55 CO 0.01 0.43 -0.11 0.00 0.02 0.00 0.00 177.57 177.92 3jqj h ALA 56 N 1.13 0.83 -0.60 1.67 0.00 -1.15 -1.28 119.26 119.87 3jqj h ALA 56 Ca 0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3jqj h ALA 56 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3jqj h ALA 56 CO 0.05 0.66 0.20 0.37 0.00 0.00 0.00 179.25 180.53 3jqj h GLN 57 N 0.86 0.92 -0.31 0.00 -0.00 -1.09 -1.51 115.11 113.97 3jqj h GLN 57 Ca 0.14 -0.19 -0.15 0.00 -0.00 0.00 0.00 58.65 58.44 3jqj h GLN 57 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 3jqj h GLN 57 CO 0.05 0.82 -0.41 -0.07 0.00 0.00 0.00 178.83 179.22 3jqj h LEU 58 N 0.85 0.81 -1.57 -2.39 3.38 -1.42 -2.74 115.31 112.23 3jqj h LEU 58 Ca 0.19 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3jqj h LEU 58 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3jqj h LEU 58 CO -0.01 1.12 0.30 0.00 0.09 0.00 0.00 178.44 179.94 3jqj h ALA 59 N 0.92 1.71 -0.50 1.53 0.00 -0.91 -1.67 119.26 120.34 3jqj h ALA 59 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3jqj h ALA 59 Cb 0.96 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3jqj h ALA 59 CO 0.09 0.26 0.08 0.78 0.00 0.00 0.00 179.25 180.45 3jqj h GLY 60 N 0.58 0.90 0.91 0.00 0.00 -0.98 0.57 103.07 105.06 3jqj h GLY 60 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3jqj h GLY 60 CO -0.04 0.56 0.02 -2.22 0.00 0.00 0.00 176.54 174.86 3jqj h ILE 61 N 0.71 1.25 -0.99 2.60 2.04 -1.27 -1.69 117.51 120.17 3jqj h ILE 61 Ca 0.15 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3jqj h ILE 61 Cb 0.41 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3jqj h ILE 61 CO 0.01 0.31 0.64 -0.07 0.00 0.00 0.00 178.15 179.03 3jqj h LEU 62 N 0.42 1.15 -0.69 1.44 3.38 -1.19 -2.50 115.31 117.32 3jqj h LEU 62 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3jqj h LEU 62 Cb 0.42 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3jqj h LEU 62 CO 0.01 0.85 0.24 0.00 0.09 0.00 0.00 178.44 179.64 3jqj h ALA 63 N 1.35 0.90 -0.78 1.53 0.00 -0.59 -2.31 119.26 119.35 3jqj h ALA 63 Ca 0.36 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3jqj h ALA 63 Cb -0.13 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.32 3jqj h ALA 63 CO -0.07 0.54 0.41 0.00 0.00 0.00 0.00 179.25 180.13 3jqj h ALA 64 N 1.11 1.12 0.00 0.00 0.00 -0.86 -0.44 119.26 120.19 3jqj h ALA 64 Ca 0.22 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3jqj h ALA 64 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3jqj h ALA 64 CO -0.01 -0.02 -0.31 0.87 0.00 0.00 0.00 179.25 179.78 3jqj h LYS 65 N 0.66 0.00 -0.28 0.00 1.57 -1.33 -2.98 116.57 114.21 3jqj h LYS 65 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3jqj h LYS 65 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3jqj h LYS 65 CO -0.29 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3jqj n LYS 66 N -3.60 2.05 -0.07 3.15 5.02 -0.26 -4.59 118.16 119.86 3jqj n LYS 66 Ca -0.01 -1.59 -0.07 0.00 -2.02 0.00 0.00 58.31 54.62 3jqj n LYS 66 Cb 0.44 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.01 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 3.09 0.60 0.00 -0.18 2.02 -1.16 -1.91 112.91 115.37 3jqj h THR 67 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3jqj h THR 67 Cb 0.68 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3jqj h THR 67 CO 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.89 3jqj h ALA 68 N 1.16 1.39 0.00 6.16 0.00 -1.84 0.53 119.26 126.66 3jqj h ALA 68 Ca 0.15 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3jqj h ALA 68 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3jqj h ALA 68 CO -0.34 0.00 -0.53 0.22 0.00 0.00 0.00 179.25 178.60 3jqj h ASP 69 N 0.00 0.00 0.14 0.00 3.58 -1.69 -3.36 116.42 115.09 3jqj h ASP 69 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 3jqj h ASP 69 Cb 0.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 3jqj h ASP 69 CO 0.00 0.36 -2.10 0.18 -2.88 0.00 0.00 179.24 174.80 3jqj n LEU 70 N -3.12 2.35 -4.47 2.28 4.77 -0.19 -4.79 117.00 113.83 3jqj n LEU 70 Ca 0.01 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 3jqj n LEU 70 Cb 0.69 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 3jqj n LEU 70 CO 0.39 0.80 0.08 -0.63 -1.33 0.00 0.00 177.39 176.70 3jqj s ILE 71 N -2.55 5.12 0.20 -0.08 -1.09 0.00 -5.00 121.20 117.80 3jqj s ILE 71 Ca -0.22 -0.48 -0.23 0.00 -2.23 0.00 0.00 60.65 57.48 3jqj s ILE 71 Cb 0.07 -4.04 0.11 0.00 -1.58 0.00 0.00 42.46 37.02 3jqj s ILE 71 CO 0.74 -0.44 1.55 -0.65 -1.23 0.00 0.00 174.94 174.90 3jqj h PRO 72 N 8.73 -0.00 -0.59 2.79 0.11 -1.87 -2.31 132.00 138.86 3jqj h PRO 72 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.80 -0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.87 3jqj n LEU 73 N -5.38 3.40 -4.77 2.35 4.77 -1.26 -4.94 117.00 111.16 3jqj n LEU 73 Ca 0.07 -1.71 -0.38 0.00 -0.03 0.00 0.00 56.01 53.96 3jqj n LEU 73 Cb 0.34 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3jqj n LEU 73 CO -0.14 0.66 0.74 0.00 -1.33 0.00 0.00 177.39 177.31 3jqj s HIS 75 N -1.46 3.70 0.05 0.00 3.76 -1.26 -4.84 115.29 115.24 3jqj s HIS 75 Ca 0.52 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.47 3jqj s HIS 75 Cb -0.25 -2.73 -0.05 0.00 1.11 0.00 0.00 32.58 30.66 3jqj s HIS 75 CO 0.32 0.29 1.13 -1.25 -0.85 0.00 0.00 174.74 174.39 3jqj s PRO 76 N -0.06 4.48 0.04 8.40 0.04 -1.26 -4.79 135.00 141.85 3jqj s PRO 76 Ca 0.35 1.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 3jqj s PRO 76 Cb -0.19 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 3jqj s PRO 76 CO 0.20 -0.17 0.13 -0.48 0.04 0.00 0.00 177.00 176.72 3jqj s LEU 77 N 0.94 1.66 -0.36 -3.56 0.05 -1.26 -5.12 118.68 111.03 3jqj s LEU 77 Ca 0.56 -0.47 -0.29 0.00 0.05 0.00 0.00 54.13 53.98 3jqj s LEU 77 Cb -0.27 0.72 0.02 0.00 -2.05 0.00 0.00 46.19 44.60 3jqj s LEU 77 CO 0.29 -0.52 1.17 -2.16 -0.55 0.00 0.00 176.35 174.59 3jqj s PRO 78 N -2.57 3.91 0.20 1.48 0.04 -1.26 -5.01 135.00 131.79 3jqj s PRO 78 Ca -0.05 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 3jqj s PRO 78 Cb -0.01 -3.84 -0.08 0.00 0.04 0.00 0.00 34.50 30.61 3jqj s PRO 78 CO -0.04 -1.12 0.89 -0.51 0.04 0.00 0.00 177.00 176.26 3jqj s LEU 79 N 4.16 4.62 -0.01 -3.56 1.43 -1.26 -4.47 118.68 119.59 3jqj s LEU 79 Ca 0.50 1.84 0.14 0.00 -1.03 0.00 0.00 54.13 55.58 3jqj s LEU 79 Cb -0.12 -3.52 -0.17 0.00 0.03 0.00 0.00 46.19 42.41 3jqj s LEU 79 CO 0.23 0.15 0.49 0.35 0.23 0.00 0.00 176.35 177.79 3jqj n THR 80 N 1.67 0.00 -3.62 5.49 -2.24 -0.33 -4.99 114.28 110.26 3jqj n THR 80 Ca -0.03 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 3jqj n THR 80 Cb 0.48 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.71 -0.38 -0.14 3.38 0.00 -1.13 -4.96 107.32 101.40 3jqj s GLY 81 Ca 0.02 2.19 -0.06 0.00 0.00 0.00 0.00 44.72 46.87 3jqj s GLY 81 CO 0.56 1.63 0.30 0.14 0.00 0.00 0.00 173.10 175.74 3jqj s VAL 82 N 0.02 -0.29 -0.03 1.40 1.01 -1.26 -1.03 120.40 120.23 3jqj s VAL 82 Ca -0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3jqj s VAL 82 Cb -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3jqj s VAL 82 CO -0.01 0.08 -0.16 -1.61 0.00 0.00 0.00 175.10 173.41 3jqj s GLU 83 N 1.98 1.47 -0.01 2.72 0.41 -0.40 -5.01 118.70 119.86 3jqj s GLU 83 Ca -0.04 -0.55 -0.00 0.00 -0.41 0.00 0.00 54.97 53.97 3jqj s GLU 83 Cb -0.11 -1.34 0.02 0.00 -1.78 0.00 0.00 34.13 30.92 3jqj s GLU 83 CO -0.10 0.27 0.02 0.08 -0.49 0.00 0.00 175.26 175.05 3jqj s VAL 84 N -0.11 -0.03 -0.06 2.63 1.01 -1.26 -1.15 120.40 121.42 3jqj s VAL 84 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3jqj s VAL 84 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.24 3jqj s VAL 84 CO 0.01 0.05 -0.13 -0.60 0.00 0.00 0.00 175.10 174.43 3jqj s ARG 85 N 0.62 1.72 -0.20 2.72 3.52 0.80 -4.98 118.95 123.15 3jqj s ARG 85 Ca -0.05 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3jqj s ARG 85 Cb -0.07 -1.42 0.04 0.00 -1.56 0.00 0.00 34.95 31.94 3jqj s ARG 85 CO -0.02 0.06 -0.11 0.08 -0.81 0.00 0.00 175.30 174.51 3jqj s VAL 86 N 0.56 1.67 0.02 7.11 1.01 -1.26 -0.68 120.40 128.83 3jqj s VAL 86 Ca -0.13 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.88 3jqj s VAL 86 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3jqj s VAL 86 CO 0.04 0.17 -0.17 -1.83 0.00 0.00 0.00 175.10 173.31 3jqj s GLU 87 N 1.39 1.18 -0.18 2.72 -1.05 -0.08 -4.98 118.70 117.71 3jqj s GLU 87 Ca -0.01 -0.76 -0.20 0.00 -0.15 0.00 0.00 54.97 53.85 3jqj s GLU 87 Cb -0.16 -1.21 -0.03 0.00 -0.44 0.00 0.00 34.13 32.29 3jqj s GLU 87 CO -0.08 0.31 0.58 -1.17 0.95 0.00 0.00 175.26 175.85 3jqj s LEU 88 N -0.92 4.17 -0.89 1.83 0.20 -1.26 -0.15 118.68 121.66 3jqj s LEU 88 Ca 0.05 0.80 -0.07 0.00 0.69 0.00 0.00 54.13 55.60 3jqj s LEU 88 Cb -0.08 -2.82 0.23 0.00 -0.43 0.00 0.00 46.19 43.09 3jqj s LEU 88 CO 0.01 -0.20 0.81 -0.76 -0.29 0.00 0.00 176.35 175.92 3jqj s LEU 89 N 1.59 6.01 0.11 -0.68 1.43 0.26 -4.97 118.68 122.43 3jqj s LEU 89 Ca 0.27 -3.29 -0.30 0.00 -1.03 0.00 0.00 54.13 49.79 3jqj s LEU 89 Cb -0.16 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.90 3jqj s LEU 89 CO 0.11 -0.34 1.49 0.50 0.23 0.00 0.00 176.35 178.34 3jqj h LYS 90 N 6.80 -0.41 -0.92 1.70 3.64 -1.95 0.35 116.57 125.78 3jqj h LYS 90 Ca 0.12 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 3jqj h LYS 90 Cb 0.91 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 3jqj h LYS 90 CO 0.85 -0.27 0.58 0.00 -2.27 0.00 0.00 179.45 178.33 3jqj h ALA 91 N -0.29 1.31 0.00 5.00 0.00 -1.95 0.17 119.26 123.50 3jqj h ALA 91 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3jqj h ALA 91 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3jqj h ALA 91 CO -0.47 0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.46 3jqj n GLU 92 N -4.60 0.17 -3.57 0.00 1.02 -1.05 -4.91 120.64 107.70 3jqj n GLU 92 Ca 0.15 0.27 -0.19 0.00 -0.02 0.00 0.00 57.16 57.36 3jqj n GLU 92 Cb 0.23 -1.75 0.06 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.06 -5.44 -3.83 3.49 5.02 0.60 -4.89 118.16 111.04 3jqj n LYS 93 Ca 0.04 0.72 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 3jqj n LYS 93 Cb 0.31 -5.47 -0.10 0.00 -0.02 0.00 0.00 35.03 29.75 3jqj n LYS 93 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3jqj s ARG 94 N -5.65 0.42 -0.21 1.97 3.52 -0.63 -1.31 118.95 117.05 3jqj s ARG 94 Ca 0.03 -0.13 -0.06 0.00 -0.13 0.00 0.00 55.73 55.45 3jqj s ARG 94 Cb -0.01 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 3jqj s ARG 94 CO 0.78 -0.09 0.02 0.08 -0.81 0.00 0.00 175.30 175.27 3jqj s VAL 95 N -0.84 4.04 -0.17 7.11 1.01 -0.77 0.92 120.40 131.71 3jqj s VAL 95 Ca -0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3jqj s VAL 95 Cb -0.05 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3jqj s VAL 95 CO 0.01 0.41 0.08 -0.60 0.00 0.00 0.00 175.10 175.00 3jqj s ARG 96 N 1.17 3.85 -0.10 2.72 3.52 0.79 -1.45 118.95 129.45 3jqj s ARG 96 Ca 0.03 -0.30 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 3jqj s ARG 96 Cb -0.14 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 3jqj s ARG 96 CO 0.02 0.39 -0.21 0.42 -0.81 0.00 0.00 175.30 175.11 3jqj s ILE 97 N 0.05 2.37 0.01 4.11 1.01 0.47 -0.90 121.20 128.32 3jqj s ILE 97 Ca 0.06 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.84 3jqj s ILE 97 Cb -0.12 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3jqj s ILE 97 CO 0.00 0.55 -0.15 -0.70 0.00 0.00 0.00 174.94 174.65 3jqj s GLU 98 N 0.19 1.11 -0.12 2.79 2.56 0.15 -1.07 118.70 124.30 3jqj s GLU 98 Ca -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 54.97 54.15 3jqj s GLU 98 Cb -0.16 -1.10 0.04 0.00 2.00 0.00 0.00 34.13 34.91 3jqj s GLU 98 CO 0.07 0.29 0.31 0.00 -0.56 0.00 0.00 175.26 175.37 3jqj s ALA 99 N -0.51 -0.76 -0.10 6.30 0.00 -0.67 -0.14 121.76 125.89 3jqj s ALA 99 Ca 0.05 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.10 3jqj s ALA 99 Cb -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3jqj s ALA 99 CO 0.00 -0.19 -0.17 0.99 0.00 0.00 0.00 175.76 176.39 3jqj s THR 100 N 0.84 1.57 0.06 0.00 2.01 -0.30 -1.12 115.64 118.70 3jqj s THR 100 Ca -0.06 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.33 3jqj s THR 100 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3jqj s THR 100 CO -0.06 0.45 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.38 3jqj s VAL 101 N 0.72 2.24 0.08 3.82 1.01 -0.32 -1.27 120.40 126.69 3jqj s VAL 101 Ca -0.12 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.47 3jqj s VAL 101 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3jqj s VAL 101 CO 0.03 0.32 -0.09 -0.54 0.00 0.00 0.00 175.10 174.82 3jqj s LYS 102 N -1.38 0.75 0.15 2.72 1.02 -0.20 -1.80 119.74 121.01 3jqj s LYS 102 Ca 0.12 -1.07 -0.24 0.00 0.02 0.00 0.00 55.97 54.80 3jqj s LYS 102 Cb -0.10 -0.42 0.08 0.00 -0.52 0.00 0.00 37.83 36.86 3jqj s LYS 102 CO 0.03 0.06 1.04 -0.08 -0.92 0.00 0.00 175.35 175.48 3jqj s THR 103 N -2.30 0.00 -0.30 2.17 -1.32 -0.54 -1.18 115.64 112.17 3jqj s THR 103 Ca 0.02 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.92 3jqj s THR 103 Cb -0.04 -2.43 0.10 0.00 -1.51 0.00 0.00 72.50 68.61 3jqj s THR 103 CO -0.01 0.00 0.08 -0.54 -2.21 0.00 0.00 174.62 171.95 3jqj s LYS 104 N -2.65 0.80 0.25 7.08 1.02 -1.26 -0.59 119.74 124.39 3jqj s LYS 104 Ca 0.17 -1.07 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 3jqj s LYS 104 Cb -0.01 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 3jqj s LYS 104 CO 0.03 -0.94 0.46 0.00 -0.92 0.00 0.00 175.35 173.98 3jqj n ALA 105 N 4.82 -0.91 0.98 5.17 0.00 -0.98 -4.75 120.51 124.83 3jqj n ALA 105 Ca -0.03 -0.86 0.13 0.00 0.00 0.00 0.00 53.44 52.68 3jqj n ALA 105 Cb 0.42 0.69 0.42 0.00 0.00 0.00 0.00 19.45 20.99 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 0.02 -4.12 0.00 4.71 -1.26 -2.11 120.64 117.53 3jqj n GLU 106 Ca -0.04 0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 57.00 3jqj n GLU 106 Cb 0.38 -1.51 -0.11 0.00 -1.01 0.00 0.00 31.44 29.19 3jqj n GLU 106 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3jqj s THR 107 N -3.01 0.62 1.02 2.62 -4.23 -1.26 -4.91 115.64 106.49 3jqj s THR 107 Ca 0.12 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 3jqj s THR 107 Cb 0.18 -1.17 0.20 0.00 1.34 0.00 0.00 72.50 73.05 3jqj s THR 107 CO 0.62 -0.64 1.10 -0.83 -0.54 0.00 0.00 174.62 174.33 3jqj s GLY 108 N -2.35 1.56 -0.27 3.99 0.00 -1.26 -4.99 107.32 104.01 3jqj s GLY 108 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 44.72 44.35 3jqj s GLY 108 CO -0.02 0.18 1.35 3.33 0.00 0.00 0.00 173.10 177.93 3jqj n VAL 109 N -4.23 2.46 -0.23 1.40 0.24 -1.26 -4.72 118.33 111.98 3jqj n VAL 109 Ca 0.06 -3.19 -0.06 0.00 -2.04 0.00 0.00 64.34 59.11 3jqj n VAL 109 Cb 0.58 -0.44 0.09 0.00 -1.47 0.00 0.00 33.84 32.59 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 1.22 1.08 -0.53 7.34 3.07 -1.93 -2.56 114.58 122.26 3jqj h GLU 110 Ca 0.17 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3jqj h GLU 110 Cb 1.35 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 3jqj h GLU 110 CO 0.33 0.94 0.12 0.52 -1.40 0.00 0.00 179.01 179.52 3jqj h MET 111 N 1.03 0.82 -0.45 2.33 2.86 -1.99 -0.99 114.93 118.54 3jqj h MET 111 Ca 0.22 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3jqj h MET 111 Cb 0.33 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3jqj h MET 111 CO -0.00 0.75 0.13 0.93 1.06 0.00 0.00 176.91 179.78 3jqj h GLU 112 N 0.79 0.70 -0.37 1.72 3.07 -1.81 0.59 114.58 119.27 3jqj h GLU 112 Ca 0.17 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 3jqj h GLU 112 Cb 0.31 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3jqj h GLU 112 CO 0.00 0.68 0.03 0.00 -1.40 0.00 0.00 179.01 178.32 3jqj h ALA 113 N 0.99 0.50 -0.37 3.43 0.00 -1.22 -1.04 119.26 121.54 3jqj h ALA 113 Ca 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3jqj h ALA 113 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3jqj h ALA 113 CO -0.00 0.24 0.06 0.52 0.00 0.00 0.00 179.25 180.07 3jqj h MET 114 N 0.47 0.61 -0.67 0.00 2.86 -1.06 -2.50 114.93 114.64 3jqj h MET 114 Ca 0.11 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3jqj h MET 114 Cb 0.42 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3jqj h MET 114 CO 0.01 0.68 0.15 1.15 1.06 0.00 0.00 176.91 179.96 3jqj h THR 115 N 0.45 1.26 -0.33 2.22 2.02 -0.83 -0.71 112.91 116.99 3jqj h THR 115 Ca 0.11 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3jqj h THR 115 Cb 0.36 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3jqj h THR 115 CO 0.01 0.36 0.20 0.00 0.37 0.00 0.00 175.52 176.46 3jqj h ALA 116 N 1.15 0.41 -0.50 6.16 0.00 -1.05 -0.69 119.26 124.74 3jqj h ALA 116 Ca 0.21 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 116 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3jqj h ALA 116 CO 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.08 3jqj h ALA 118 N 0.93 0.57 -0.13 0.00 0.00 -0.87 -1.14 119.26 118.62 3jqj h ALA 118 Ca 0.14 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3jqj h ALA 118 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jqj h ALA 118 CO 0.03 0.24 -0.57 0.28 0.00 0.00 0.00 179.25 179.23 3jqj h VAL 119 N 0.57 1.35 -0.63 0.00 2.07 -1.12 -0.51 116.25 117.98 3jqj h VAL 119 Ca 0.14 -1.86 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 3jqj h VAL 119 Cb 0.29 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3jqj h VAL 119 CO -0.00 0.56 0.10 0.00 0.02 0.00 0.00 177.57 178.25 3jqj h ALA 120 N 1.09 0.97 -0.46 1.67 0.00 -1.18 -0.38 119.26 120.97 3jqj h ALA 120 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3jqj h ALA 120 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3jqj h ALA 120 CO 0.10 0.64 0.04 0.00 0.00 0.00 0.00 179.25 180.03 3jqj h ALA 121 N 1.12 0.62 -0.46 0.00 0.00 -0.92 -1.36 119.26 118.26 3jqj h ALA 121 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3jqj h ALA 121 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3jqj h ALA 121 CO 0.01 0.38 0.18 -0.07 0.00 0.00 0.00 179.25 179.75 3jqj h LEU 122 N 0.65 0.60 -0.48 0.00 3.38 -0.76 -1.88 115.31 116.81 3jqj h LEU 122 Ca 0.14 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3jqj h LEU 122 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3jqj h LEU 122 CO 0.02 0.55 -0.57 0.74 0.09 0.00 0.00 178.44 179.26 3jqj h THR 123 N 0.65 1.32 -0.81 0.22 2.02 -0.69 -0.72 112.91 114.91 3jqj h THR 123 Ca 0.16 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 3jqj h THR 123 Cb 0.14 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3jqj h THR 123 CO -0.01 0.57 0.47 0.58 0.37 0.00 0.00 175.52 177.50 3jqj h VAL 124 N 0.43 1.23 -0.08 3.16 2.07 -0.74 0.62 116.25 122.95 3jqj h VAL 124 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3jqj h VAL 124 Cb 1.13 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3jqj h VAL 124 CO 0.11 0.25 0.03 0.22 0.02 0.00 0.00 177.57 178.19 3jqj h TYR 125 N 1.12 0.13 -0.94 1.57 3.20 -0.94 -2.62 116.97 118.47 3jqj h TYR 125 Ca 0.29 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.18 3jqj h TYR 125 Cb -0.02 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 3jqj h TYR 125 CO 0.01 0.26 0.62 0.22 -1.64 0.00 0.00 178.16 177.63 3jqj h ASP 126 N -0.05 1.04 0.61 -2.11 3.58 -0.51 0.35 116.42 119.33 3jqj h ASP 126 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3jqj h ASP 126 Cb 0.19 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.00 3jqj h ASP 126 CO -0.00 0.72 0.00 0.23 -2.88 0.00 0.00 179.24 177.31 3jqj n MET 127 N -4.43 0.14 0.00 0.28 2.81 0.15 -3.94 117.12 112.14 3jqj n MET 127 Ca 0.12 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 3jqj n MET 127 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.41 0.06 0.31 4.03 4.77 -0.84 -4.22 117.00 119.70 3jqj n LEU 128 Ca 0.08 -0.16 0.18 0.00 -0.03 0.00 0.00 56.01 56.08 3jqj n LEU 128 Cb 0.22 0.00 0.96 0.00 -2.33 0.00 0.00 43.42 42.27 3jqj n LEU 128 CO 0.19 0.01 1.10 0.07 -1.33 0.00 0.00 177.39 177.44 3jqj h LYS 129 N 0.00 0.00 -0.03 3.23 2.10 -0.44 0.75 116.57 122.17 3jqj h LYS 129 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 3jqj h LYS 129 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 3jqj h LYS 129 CO 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 179.45 177.19 3jqj h ALA 130 N 1.71 1.52 0.04 0.07 0.00 -1.84 -2.86 119.26 117.89 3jqj h ALA 130 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 3jqj h ALA 130 Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3jqj h ALA 130 CO 0.00 0.36 -1.56 0.00 0.00 0.00 0.00 179.25 178.05 3jqj h ALA 131 N 1.69 0.53 -2.15 0.00 0.00 -1.23 -3.47 119.26 114.64 3jqj h ALA 131 Ca 0.01 -1.26 0.02 0.00 0.00 0.00 0.00 54.91 53.67 3jqj h ALA 131 Cb 0.49 0.34 -0.22 0.00 0.00 0.00 0.00 17.79 18.39 3jqj h ALA 131 CO 0.03 1.38 -0.15 -1.12 0.00 0.00 0.00 179.25 179.39 3jqj s SER 132 N -6.54 -0.89 0.19 0.00 0.01 -1.08 -4.72 113.70 100.67 3jqj s SER 132 Ca -0.07 1.40 0.25 0.00 1.31 0.00 0.00 55.95 58.85 3jqj s SER 132 Cb 0.08 1.80 0.65 0.00 0.21 0.00 0.00 66.02 68.76 3jqj s SER 132 CO 0.83 -0.22 1.63 0.11 0.41 0.00 0.00 173.24 175.99 3jqj h LYS 133 N 7.73 0.00 -0.08 12.44 1.79 -1.88 -3.33 116.57 133.24 3jqj h LYS 133 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3jqj h LYS 133 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3jqj h LYS 133 CO 0.13 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.91 3jqj n GLY 134 N 1.31 -0.59 3.78 3.86 0.00 -1.26 -4.90 105.19 107.38 3jqj n GLY 134 Ca 0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3jqj n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jqj s LEU 135 N -1.11 4.30 -0.05 0.99 1.43 -1.25 -4.98 118.68 118.01 3jqj s LEU 135 Ca 0.10 3.03 0.05 0.00 -1.03 0.00 0.00 54.13 56.28 3jqj s LEU 135 Cb 0.05 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3jqj s LEU 135 CO 0.08 -0.89 -0.20 -0.69 0.23 0.00 0.00 176.35 174.88 3jqj s VAL 136 N -1.13 1.63 -0.88 -1.59 1.01 -1.12 -4.96 120.40 113.37 3jqj s VAL 136 Ca 0.53 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 3jqj s VAL 136 Cb -0.46 -1.40 0.11 0.00 0.00 0.00 0.00 36.38 34.63 3jqj s VAL 136 CO 0.62 0.46 1.12 -0.63 0.00 0.00 0.00 175.10 176.68 3jqj s ILE 137 N -0.00 4.57 0.17 2.22 1.01 -1.26 0.12 121.20 128.02 3jqj s ILE 137 Ca -0.04 -1.25 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 3jqj s ILE 137 Cb -0.12 -4.78 0.09 0.00 0.01 0.00 0.00 42.46 37.65 3jqj s ILE 137 CO 0.03 -1.53 1.67 0.77 0.00 0.00 0.00 174.94 175.88 3jqj h SER 138 N 9.08 -0.35 -4.79 3.58 4.64 -1.80 -3.46 113.55 120.46 3jqj h SER 138 Ca 0.07 0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.55 3jqj h SER 138 Cb 1.03 0.24 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 3jqj h SER 138 CO 1.15 -0.12 0.36 0.00 -0.87 0.00 0.00 176.83 177.35 3jqj s GLN 139 N -6.21 1.01 -0.05 4.77 -2.07 -1.26 -5.00 119.66 110.85 3jqj s GLN 139 Ca -0.14 -0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 3jqj s GLN 139 Cb 0.14 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.56 3jqj s GLN 139 CO 0.71 -0.43 0.00 0.08 -1.32 0.00 0.00 175.29 174.33 3jqj s VAL 140 N -3.17 0.28 0.10 3.63 1.01 -1.26 -1.87 120.40 119.13 3jqj s VAL 140 Ca 0.02 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 3jqj s VAL 140 Cb -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3jqj s VAL 140 CO -0.09 0.22 0.35 0.00 0.00 0.00 0.00 175.10 175.57 3jqj s ARG 141 N 1.62 0.98 0.20 2.72 1.70 -0.33 -5.00 118.95 120.84 3jqj s ARG 141 Ca -0.01 -0.72 -0.22 0.00 -0.47 0.00 0.00 55.73 54.31 3jqj s ARG 141 Cb -0.13 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 3jqj s ARG 141 CO -0.03 -0.36 0.74 -1.17 -1.08 0.00 0.00 175.30 173.39 3jqj s LEU 142 N -2.69 4.43 -0.07 -1.89 2.96 -1.26 -1.00 118.68 119.15 3jqj s LEU 142 Ca 0.02 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.49 3jqj s LEU 142 Cb 0.02 -3.46 -0.09 0.00 0.50 0.00 0.00 46.19 43.16 3jqj s LEU 142 CO -0.10 0.10 0.02 0.18 -1.32 0.00 0.00 176.35 175.23 3jqj n LEU 143 N 1.06 0.12 -3.54 -0.68 4.77 0.14 -4.63 117.00 114.24 3jqj n LEU 143 Ca -0.04 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 3jqj n LEU 143 Cb 0.50 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 3jqj n LEU 143 CO 0.44 0.20 0.65 -2.28 -1.33 0.00 0.00 177.39 175.07 3jqj s HIS 144 N -2.18 -0.45 -0.13 -1.77 5.04 -0.87 -1.27 115.29 113.66 3jqj s HIS 144 Ca -0.04 0.65 -0.21 0.00 -1.54 0.00 0.00 55.06 53.92 3jqj s HIS 144 Cb 0.02 0.46 0.05 0.00 0.04 0.00 0.00 32.58 33.16 3jqj s HIS 144 CO 0.30 -0.48 0.53 -1.59 -2.34 0.00 0.00 174.74 171.17 3jqj s LYS 145 N -1.69 0.75 0.06 2.88 0.00 -0.34 -0.03 119.74 121.37 3jqj s LYS 145 Ca -0.03 0.45 -0.05 0.00 0.00 0.00 0.00 55.97 56.35 3jqj s LYS 145 Cb -0.00 0.36 -0.02 0.00 0.00 0.00 0.00 37.83 38.16 3jqj s LYS 145 CO 0.01 -0.16 0.08 0.00 0.00 0.00 0.00 175.35 175.28 3jqj s ALA 146 N -0.39 0.08 0.00 0.59 0.00 -0.13 -1.23 121.76 120.68 3jqj s ALA 146 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3jqj s ALA 146 Cb -0.03 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3jqj s ALA 146 CO 0.04 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3jqj n GLY 147 N 0.31 0.62 1.90 0.00 0.00 -1.26 -1.95 105.19 104.81 3jqj n GLY 147 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 0.89 -2.52 0.08 -0.02 0.00 -1.26 -3.89 105.19 98.47 3jqj n GLY 148 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 -0.08 0.00 1.61 3.64 -1.99 -3.12 116.57 116.63 3jqj h LYS 149 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3jqj h LYS 149 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3jqj h LYS 149 CO 0.00 0.32 0.00 -1.13 -2.27 0.00 0.00 179.45 176.37 3jqj n SER 150 N -4.93 0.00 0.00 4.20 3.41 -1.26 -4.96 113.62 110.08 3jqj n SER 150 Ca -0.08 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3jqj n SER 150 Cb 0.23 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3jqj n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jqj n GLY 151 N -0.57 1.14 3.75 5.00 0.00 -1.18 -4.83 105.19 108.50 3jqj n GLY 151 Ca 0.03 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 4.60 -0.05 1.61 2.56 -1.26 -4.06 118.70 122.09 3jqj s GLU 152 Ca 0.00 1.83 -0.03 0.00 0.00 0.00 0.00 54.97 56.77 3jqj s GLU 152 Cb 0.00 -3.20 0.03 0.00 2.00 0.00 0.00 34.13 32.96 3jqj s GLU 152 CO 0.00 0.13 0.12 -0.46 -0.56 0.00 0.00 175.26 174.49 3jqj s TRP 153 N -0.87 -0.13 0.02 5.30 -0.00 -0.37 -5.01 118.94 117.88 3jqj s TRP 153 Ca 0.47 0.39 -0.00 0.00 -0.00 0.00 0.00 56.10 56.96 3jqj s TRP 153 Cb -0.32 -0.08 -0.02 0.00 -0.00 0.00 0.00 33.47 33.05 3jqj s TRP 153 CO 0.40 -0.13 -0.02 -0.98 -0.00 0.00 0.00 176.95 176.22 3jqj s ARG 154 N 0.92 0.29 0.26 5.86 1.70 -1.26 -1.19 118.95 125.52 3jqj s ARG 154 Ca -0.07 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 3jqj s ARG 154 Cb -0.09 0.10 -0.09 0.00 -0.57 0.00 0.00 34.95 34.30 3jqj s ARG 154 CO -0.04 -0.05 1.19 0.50 -1.08 0.00 0.00 175.30 175.82 3jqj s ARG 155 N -1.30 4.51 0.00 3.89 3.52 -0.40 -4.97 118.95 124.20 3jqj s ARG 155 Ca -0.14 1.95 0.06 0.00 -0.13 0.00 0.00 55.73 57.46 3jqj s ARG 155 Cb -0.09 -3.17 0.05 0.00 -1.56 0.00 0.00 34.95 30.18 3jqj s ARG 155 CO -0.01 0.00 0.68 0.39 -0.81 0.00 0.00 175.30 175.56