#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jqj s ARG 10 N 0.00 4.20 0.15 1.61 3.52 -1.26 -4.93 118.95 122.24 3jqj s ARG 10 Ca 0.00 2.25 -0.31 0.00 -0.13 0.00 0.00 55.73 57.53 3jqj s ARG 10 Cb 0.00 -3.77 -0.11 0.00 -1.56 0.00 0.00 34.95 29.51 3jqj s ARG 10 CO 0.00 -0.77 1.78 -2.14 -0.81 0.00 0.00 175.30 173.36 3jqj s PRO 11 N 3.23 4.14 -0.14 5.12 0.02 -1.26 -4.97 135.00 141.13 3jqj s PRO 11 Ca 0.73 2.58 -0.05 0.00 0.02 0.00 0.00 61.00 64.28 3jqj s PRO 11 Cb -0.36 -3.40 0.07 0.00 0.02 0.00 0.00 34.50 30.83 3jqj s PRO 11 CO 0.31 -0.80 0.30 -0.98 -0.33 0.00 0.00 177.00 175.50 3jqj s ARG 12 N 2.13 0.20 0.81 5.54 1.70 -1.26 -5.14 118.95 122.92 3jqj s ARG 12 Ca 0.78 0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 56.70 3jqj s ARG 12 Cb -0.47 0.03 0.09 0.00 -0.57 0.00 0.00 34.95 34.03 3jqj s ARG 12 CO 0.34 -0.26 1.17 1.41 -1.08 0.00 0.00 175.30 176.88 3jqj s MET 13 N 2.29 1.69 -0.20 3.89 -2.45 -1.26 -4.95 119.30 118.31 3jqj s MET 13 Ca -0.01 1.61 -0.19 0.00 -1.25 0.00 0.00 55.69 55.85 3jqj s MET 13 Cb -0.12 -1.80 -0.03 0.00 1.25 0.00 0.00 34.83 34.14 3jqj s MET 13 CO -0.10 -2.15 0.56 0.08 1.05 0.00 0.00 175.02 174.47 3jqj s VAL 14 N -2.36 5.07 -0.16 10.11 1.01 -1.26 -5.00 120.40 127.81 3jqj s VAL 14 Ca 0.70 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 3jqj s VAL 14 Cb -0.25 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3jqj s VAL 14 CO 0.52 0.14 1.75 -0.62 0.00 0.00 0.00 175.10 176.89 3jqj s ASP 15 N 1.20 6.32 -0.04 3.32 3.68 -1.26 -4.83 116.67 125.06 3jqj s ASP 15 Ca 0.26 1.91 0.09 0.00 2.13 0.00 0.00 52.55 56.93 3jqj s ASP 15 Cb -0.16 -2.53 0.24 0.00 -1.45 0.00 0.00 42.92 39.03 3jqj s ASP 15 CO 0.10 -1.26 1.19 0.55 0.13 0.00 0.00 175.17 175.88 3jqj n VAL 16 N 6.30 1.25 0.13 1.11 3.14 -1.26 -4.55 118.33 124.46 3jqj n VAL 16 Ca 0.20 -1.23 0.04 0.00 -2.96 0.00 0.00 64.34 60.40 3jqj n VAL 16 Cb 0.44 0.33 0.47 0.00 -1.06 0.00 0.00 33.84 34.03 3jqj n VAL 16 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3jqj h THR 17 N 1.23 1.11 -0.21 1.55 2.02 -1.96 -1.66 112.91 114.98 3jqj h THR 17 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3jqj h THR 17 Cb 0.78 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3jqj h THR 17 CO 0.03 0.13 0.00 -0.62 0.37 0.00 0.00 175.52 175.44 3jqj n GLU 18 N -4.41 2.10 -4.27 6.66 -0.58 -1.26 -4.94 120.64 113.95 3jqj n GLU 18 Ca -0.00 -1.01 -0.29 0.00 -0.42 0.00 0.00 57.16 55.44 3jqj n GLU 18 Cb 0.16 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.33 3jqj n GLU 18 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3jqj s LYS 19 N -1.61 1.99 0.34 3.49 1.02 -0.62 -5.10 119.74 119.25 3jqj s LYS 19 Ca 0.18 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 3jqj s LYS 19 Cb 0.12 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 35.12 3jqj s LYS 19 CO 0.07 0.48 1.44 -2.30 -0.92 0.00 0.00 175.35 174.12 3jqj n PRO 20 N 0.55 2.46 -3.41 -1.68 -0.02 -1.26 -4.80 135.00 126.84 3jqj n PRO 20 Ca -0.13 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 3jqj n PRO 20 Cb 0.53 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 3jqj n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3jqj s GLU 21 N -1.62 4.02 0.20 -0.52 2.12 -1.26 -4.25 118.70 117.39 3jqj s GLU 21 Ca 0.57 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.90 3jqj s GLU 21 Cb -0.52 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 3jqj s GLU 21 CO 0.60 -0.26 0.14 0.95 -0.54 0.00 0.00 175.26 176.15 3jqj s THR 22 N 2.00 0.00 0.09 -1.70 -4.23 -0.89 -4.89 115.64 106.03 3jqj s THR 22 Ca 0.14 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.37 3jqj s THR 22 Cb -0.16 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.15 3jqj s THR 22 CO 0.10 -0.02 1.20 -0.36 -0.54 0.00 0.00 174.62 174.99 3jqj s PHE 23 N -4.15 3.44 0.11 3.99 0.40 -1.26 -1.58 117.98 118.92 3jqj s PHE 23 Ca 0.38 1.33 0.10 0.00 -0.60 0.00 0.00 56.93 58.14 3jqj s PHE 23 Cb 0.07 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 3jqj s PHE 23 CO 0.11 -1.25 -0.25 1.03 0.70 0.00 0.00 175.22 175.56 3jqj s ARG 24 N 0.73 1.57 -0.12 0.44 1.81 0.12 -4.32 118.95 119.18 3jqj s ARG 24 Ca 0.57 -1.26 -0.18 0.00 -1.72 0.00 0.00 55.73 53.15 3jqj s ARG 24 Cb -0.30 -1.96 0.04 0.00 -0.45 0.00 0.00 34.95 32.28 3jqj s ARG 24 CO 0.31 0.47 0.46 -0.08 -0.68 0.00 0.00 175.30 175.78 3jqj s THR 25 N -1.02 0.01 -0.07 0.02 -1.32 -1.11 -1.85 115.64 110.31 3jqj s THR 25 Ca 0.14 -0.12 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 3jqj s THR 25 Cb -0.10 -0.69 0.02 0.00 -1.51 0.00 0.00 72.50 70.22 3jqj s THR 25 CO 0.06 -0.06 0.24 0.00 -2.21 0.00 0.00 174.62 172.65 3jqj s ALA 26 N -0.32 -0.60 -0.05 11.08 0.00 -0.64 -1.61 121.76 129.62 3jqj s ALA 26 Ca -0.05 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3jqj s ALA 26 Cb -0.03 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3jqj s ALA 26 CO 0.03 -0.15 -0.07 0.99 0.00 0.00 0.00 175.76 176.55 3jqj s THR 27 N -0.29 0.75 0.28 0.00 2.01 0.57 -1.25 115.64 117.72 3jqj s THR 27 Ca -0.04 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3jqj s THR 27 Cb -0.03 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3jqj s THR 27 CO 0.01 0.27 0.09 0.00 -0.69 0.00 0.00 174.62 174.29 3jqj s ALA 28 N 0.76 1.97 0.12 7.40 0.00 -0.32 0.55 121.76 132.25 3jqj s ALA 28 Ca -0.12 -1.92 -0.09 0.00 0.00 0.00 0.00 51.96 49.82 3jqj s ALA 28 Cb -0.15 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 3jqj s ALA 28 CO 0.02 -0.41 0.24 -1.83 0.00 0.00 0.00 175.76 173.78 3jqj s GLU 29 N -3.98 0.99 0.17 0.00 -1.05 -0.23 -1.24 118.70 113.36 3jqj s GLU 29 Ca 0.37 -1.03 -0.15 0.00 -0.15 0.00 0.00 54.97 54.01 3jqj s GLU 29 Cb 0.08 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 3jqj s GLU 29 CO 0.14 -0.34 0.43 0.00 0.95 0.00 0.00 175.26 176.44 3jqj s ALA 30 N -3.90 -0.69 0.05 -0.84 0.00 0.10 -1.22 121.76 115.26 3jqj s ALA 30 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3jqj s ALA 30 Cb 0.04 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3jqj s ALA 30 CO -0.06 -0.72 -0.07 -0.06 0.00 0.00 0.00 175.76 174.85 3jqj s PHE 31 N -3.88 0.68 -0.20 0.00 0.40 -0.01 -0.82 117.98 114.15 3jqj s PHE 31 Ca 0.09 -0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3jqj s PHE 31 Cb 0.01 -0.41 0.05 0.00 0.51 0.00 0.00 43.02 43.18 3jqj s PHE 31 CO -0.05 -0.11 -0.04 0.08 0.70 0.00 0.00 175.22 175.80 3jqj s VAL 32 N -1.93 1.21 -0.12 -0.44 1.01 -0.26 0.20 120.40 120.07 3jqj s VAL 32 Ca -0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 3jqj s VAL 32 Cb -0.06 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3jqj s VAL 32 CO -0.01 -0.02 0.82 -1.61 0.00 0.00 0.00 175.10 174.27 3jqj s GLU 33 N 1.56 4.36 0.07 2.72 2.02 -0.14 -0.93 118.70 128.36 3jqj s GLU 33 Ca -0.02 1.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.98 3jqj s GLU 33 Cb -0.17 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 3jqj s GLU 33 CO -0.07 -0.20 0.26 -0.51 0.02 0.00 0.00 175.26 174.76 3jqj s LEU 34 N 1.67 4.34 0.52 1.80 1.43 -0.05 -3.31 118.68 125.07 3jqj s LEU 34 Ca 0.40 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3jqj s LEU 34 Cb -0.17 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.06 3jqj s LEU 34 CO 0.16 0.16 0.77 0.42 0.23 0.00 0.00 176.35 178.08 3jqj s THR 35 N -1.51 3.74 0.30 5.49 -4.23 -1.26 -4.85 115.64 113.31 3jqj s THR 35 Ca 0.35 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3jqj s THR 35 Cb -0.13 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.56 3jqj s THR 35 CO 0.25 -0.35 1.95 -0.33 -0.54 0.00 0.00 174.62 175.59 3jqj h GLU 36 N 0.14 1.03 -0.31 3.99 4.39 -1.98 0.07 114.58 121.90 3jqj h GLU 36 Ca -0.45 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3jqj h GLU 36 Cb 1.26 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3jqj h GLU 36 CO 0.58 0.68 0.16 0.93 -1.16 0.00 0.00 179.01 180.21 3jqj h GLU 37 N 1.06 0.43 -0.46 2.33 3.07 -1.93 0.67 114.58 119.75 3jqj h GLU 37 Ca 0.33 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.07 3jqj h GLU 37 Cb 0.02 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3jqj h GLU 37 CO -0.10 0.37 0.01 0.00 -1.40 0.00 0.00 179.01 177.90 3jqj h ALA 38 N 1.03 0.61 -0.26 3.43 0.00 -1.73 0.04 119.26 122.39 3jqj h ALA 38 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3jqj h ALA 38 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3jqj h ALA 38 CO -0.02 0.40 0.12 1.25 0.00 0.00 0.00 179.25 181.01 3jqj h LEU 39 N 0.65 0.18 0.10 0.00 5.85 -0.79 0.43 115.31 121.73 3jqj h LEU 39 Ca 0.13 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3jqj h LEU 39 Cb 0.48 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3jqj h LEU 39 CO 0.02 0.14 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.84 3jqj h SER 40 N 0.26 -0.39 -0.46 1.25 0.87 -0.67 -0.53 113.55 113.90 3jqj h SER 40 Ca 0.11 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3jqj h SER 40 Cb 0.04 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3jqj h SER 40 CO -0.08 -0.21 0.21 0.00 -0.53 0.00 0.00 176.83 176.22 3jqj h ALA 41 N 0.58 0.57 -0.67 6.23 0.00 -0.59 -2.30 119.26 123.07 3jqj h ALA 41 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 41 Cb 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3jqj h ALA 41 CO -0.07 -0.16 0.38 1.25 0.00 0.00 0.00 179.25 180.65 3jqj h LEU 42 N 0.42 0.57 -0.78 0.00 5.85 0.24 0.38 115.31 121.98 3jqj h LEU 42 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3jqj h LEU 42 Cb 0.15 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3jqj h LEU 42 CO -0.17 0.37 0.00 -0.62 -0.34 0.00 0.00 178.44 177.68 3jqj n GLU 43 N -4.78 0.17 -0.38 1.25 1.02 -0.24 -2.17 120.64 115.51 3jqj n GLU 43 Ca 0.08 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.77 3jqj n GLU 43 Cb 0.17 -1.85 0.28 0.00 -0.02 0.00 0.00 31.44 30.01 3jqj n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3jqj n LYS 44 N -2.17 3.03 0.00 3.49 5.02 -0.44 -4.93 118.16 122.15 3jqj n LYS 44 Ca 0.01 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 3jqj n LYS 44 Cb 0.18 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.04 0.51 0.00 0.72 0.00 -0.92 -4.98 105.19 101.55 3jqj n GLY 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.91 0.06 0.95 -0.02 0.00 -0.00 -3.62 105.19 100.64 3jqj n GLY 46 Ca 0.00 -2.24 0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 1.21 0.00 1.61 0.24 -1.26 -4.61 118.33 115.51 3jqj n VAL 47 Ca 0.00 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.20 3jqj n VAL 47 Cb 0.00 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.79 0.80 0.03 7.63 0.00 -1.26 -4.95 105.19 108.22 3jqj n GLY 48 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.13 0.44 0.00 1.61 5.02 -1.26 -5.09 118.16 117.74 3jqj n LYS 49 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3jqj n LYS 49 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 1.47 1.43 3.60 0.72 0.00 -1.26 -5.00 105.19 106.14 3jqj n GLY 50 Ca 0.04 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 5.83 0.25 1.61 -1.08 -1.24 -4.45 116.67 117.59 3jqj s ASP 51 Ca 0.00 1.45 -0.04 0.00 -0.52 0.00 0.00 52.55 53.44 3jqj s ASP 51 Cb 0.00 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.40 3jqj s ASP 51 CO 0.00 -1.73 1.73 -0.65 0.52 0.00 0.00 175.17 175.04 3jqj h PRO 52 N 13.21 0.45 -0.24 4.34 0.11 -1.88 -2.15 132.00 145.85 3jqj h PRO 52 Ca -0.35 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 3jqj h PRO 52 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jqj h PRO 52 CO 1.01 0.30 -0.54 -0.07 -0.21 0.00 0.00 178.00 178.49 3jqj h LEU 53 N 0.46 0.79 -0.24 2.35 3.38 -1.93 -2.01 115.31 118.11 3jqj h LEU 53 Ca 0.42 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3jqj h LEU 53 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3jqj h LEU 53 CO -0.39 1.17 -0.06 0.58 0.09 0.00 0.00 178.44 179.83 3jqj h VAL 54 N 0.55 1.28 -0.29 1.22 2.07 -1.85 -1.63 116.25 117.60 3jqj h VAL 54 Ca 0.01 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 3jqj h VAL 54 Cb 1.11 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3jqj h VAL 54 CO 0.11 0.33 -0.33 0.58 0.02 0.00 0.00 177.57 178.28 3jqj h VAL 55 N 0.21 1.28 -0.38 2.57 2.07 -1.43 -2.90 116.25 117.68 3jqj h VAL 55 Ca 0.06 -1.46 -0.14 0.00 0.82 0.00 0.00 66.70 65.98 3jqj h VAL 55 Cb 0.53 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3jqj h VAL 55 CO 0.02 0.47 -0.33 0.00 0.02 0.00 0.00 177.57 177.76 3jqj h ALA 56 N 1.10 0.71 -0.65 1.67 0.00 -1.34 -1.68 119.26 119.06 3jqj h ALA 56 Ca 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3jqj h ALA 56 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3jqj h ALA 56 CO 0.07 0.66 0.33 0.37 0.00 0.00 0.00 179.25 180.68 3jqj h GLN 57 N 0.71 0.92 -0.31 0.00 -0.00 -1.21 -0.75 115.11 114.47 3jqj h GLN 57 Ca 0.07 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 3jqj h GLN 57 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 3jqj h GLN 57 CO 0.08 0.72 -0.35 1.25 0.00 0.00 0.00 178.83 180.53 3jqj h LEU 58 N 0.89 0.73 -1.25 -2.39 5.85 -1.43 -2.72 115.31 114.99 3jqj h LEU 58 Ca 0.22 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3jqj h LEU 58 Cb 0.09 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3jqj h LEU 58 CO -0.03 1.01 0.48 0.00 -0.34 0.00 0.00 178.44 179.56 3jqj h ALA 59 N 1.03 1.45 -0.64 1.25 0.00 -0.81 -1.79 119.26 119.76 3jqj h ALA 59 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jqj h ALA 59 Cb 0.87 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3jqj h ALA 59 CO 0.08 0.50 0.33 0.78 0.00 0.00 0.00 179.25 180.94 3jqj h GLY 60 N 1.02 0.97 0.93 0.00 0.00 -0.83 0.34 103.07 105.49 3jqj h GLY 60 Ca 0.27 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3jqj h GLY 60 CO -0.06 0.44 0.04 -2.22 0.00 0.00 0.00 176.54 174.74 3jqj h ILE 61 N 0.88 1.25 -0.81 2.60 2.04 -1.31 -1.87 117.51 120.29 3jqj h ILE 61 Ca 0.22 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3jqj h ILE 61 Cb 0.08 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3jqj h ILE 61 CO -0.03 0.31 0.39 -0.07 0.00 0.00 0.00 178.15 178.75 3jqj h LEU 62 N 0.47 1.06 -0.77 1.44 3.38 -1.10 -2.66 115.31 117.14 3jqj h LEU 62 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3jqj h LEU 62 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3jqj h LEU 62 CO 0.01 0.89 0.15 0.00 0.09 0.00 0.00 178.44 179.58 3jqj h ALA 63 N 1.27 0.99 -0.45 1.53 0.00 -0.72 -2.48 119.26 119.39 3jqj h ALA 63 Ca 0.28 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 63 Cb 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3jqj h ALA 63 CO -0.04 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.92 3jqj h ALA 64 N 1.13 0.47 0.00 0.00 0.00 -0.99 -0.26 119.26 119.60 3jqj h ALA 64 Ca 0.21 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3jqj h ALA 64 Cb 0.38 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3jqj h ALA 64 CO 0.00 -0.35 -0.13 0.87 0.00 0.00 0.00 179.25 179.64 3jqj h LYS 65 N 0.17 0.00 -0.04 0.00 1.57 -1.36 -2.74 116.57 114.17 3jqj h LYS 65 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3jqj h LYS 65 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3jqj h LYS 65 CO -0.33 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.32 3jqj n LYS 66 N -3.71 2.03 -0.25 3.15 5.02 -0.21 -4.58 118.16 119.60 3jqj n LYS 66 Ca -0.02 -1.49 0.01 0.00 -2.02 0.00 0.00 58.31 54.79 3jqj n LYS 66 Cb 0.25 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 33.88 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 3.59 0.28 -0.04 -0.18 2.02 -0.96 0.12 112.91 117.74 3jqj h THR 67 Ca 0.00 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3jqj h THR 67 Cb 0.76 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3jqj h THR 67 CO 0.00 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.94 3jqj h ALA 68 N 1.72 1.53 0.00 6.16 0.00 -1.84 -0.49 119.26 126.35 3jqj h ALA 68 Ca 0.35 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 3jqj h ALA 68 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3jqj h ALA 68 CO -0.74 -0.07 -0.96 -0.44 0.00 0.00 0.00 179.25 177.04 3jqj h ASP 69 N 0.00 0.00 0.18 0.00 3.32 -1.09 -3.38 116.42 115.46 3jqj h ASP 69 Ca 0.02 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.71 3jqj h ASP 69 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3jqj h ASP 69 CO -0.00 0.92 -1.98 0.18 -1.72 0.00 0.00 179.24 176.64 3jqj n LEU 70 N -3.31 2.30 -4.45 1.55 4.77 -0.40 -4.77 117.00 112.68 3jqj n LEU 70 Ca -0.00 0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 3jqj n LEU 70 Cb 0.91 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3jqj n LEU 70 CO 0.46 0.77 0.19 -0.63 -1.33 0.00 0.00 177.39 176.85 3jqj s ILE 71 N -2.56 5.02 0.16 -0.08 -1.09 -0.33 -5.00 121.20 117.33 3jqj s ILE 71 Ca -0.20 -0.57 -0.19 0.00 -2.23 0.00 0.00 60.65 57.47 3jqj s ILE 71 Cb 0.07 -4.18 0.09 0.00 -1.58 0.00 0.00 42.46 36.86 3jqj s ILE 71 CO 0.77 -0.63 1.23 -2.65 -1.23 0.00 0.00 174.94 172.44 3jqj n PRO 72 N 5.77 -0.26 -0.48 2.79 -0.02 -1.26 -1.58 135.00 139.96 3jqj n PRO 72 Ca -0.08 1.22 0.08 0.00 -2.02 0.00 0.00 63.50 62.69 3jqj n PRO 72 Cb 0.46 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 32.42 3jqj n PRO 72 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jqj n LEU 73 N -5.10 3.83 -4.76 2.45 4.77 -1.26 -4.95 117.00 111.98 3jqj n LEU 73 Ca 0.05 -1.93 -0.39 0.00 -0.03 0.00 0.00 56.01 53.71 3jqj n LEU 73 Cb 0.27 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 3jqj n LEU 73 CO -0.12 0.67 0.73 0.00 -1.33 0.00 0.00 177.39 177.35 3jqj s HIS 75 N -1.29 3.83 0.02 0.00 3.76 -1.26 -4.84 115.29 115.52 3jqj s HIS 75 Ca 0.46 1.67 -0.30 0.00 -0.15 0.00 0.00 55.06 56.74 3jqj s HIS 75 Cb -0.28 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.45 3jqj s HIS 75 CO 0.35 0.33 1.40 -2.14 -0.85 0.00 0.00 174.74 173.83 3jqj s PRO 76 N -0.44 4.29 0.00 8.40 0.02 -1.26 -4.78 135.00 141.23 3jqj s PRO 76 Ca 0.41 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.42 3jqj s PRO 76 Cb -0.23 -3.51 -0.00 0.00 0.02 0.00 0.00 34.50 30.77 3jqj s PRO 76 CO 0.27 -0.55 -0.02 -0.51 -0.33 0.00 0.00 177.00 175.86 3jqj s LEU 77 N 2.15 2.03 0.01 -5.54 1.43 -1.26 -5.12 118.68 112.39 3jqj s LEU 77 Ca 0.64 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 3jqj s LEU 77 Cb -0.32 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 3jqj s LEU 77 CO 0.27 -0.01 1.14 -2.16 0.23 0.00 0.00 176.35 175.82 3jqj s PRO 78 N -0.21 4.45 -0.09 1.29 0.04 -1.26 -4.99 135.00 134.23 3jqj s PRO 78 Ca -0.01 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 3jqj s PRO 78 Cb -0.02 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 3jqj s PRO 78 CO -0.00 -0.25 0.40 -0.51 0.04 0.00 0.00 177.00 176.68 3jqj s LEU 79 N 1.33 4.34 0.00 -3.56 1.43 -1.26 -4.64 118.68 116.32 3jqj s LEU 79 Ca 0.56 0.78 0.19 0.00 -1.03 0.00 0.00 54.13 54.63 3jqj s LEU 79 Cb -0.26 -2.56 -0.20 0.00 0.03 0.00 0.00 46.19 43.20 3jqj s LEU 79 CO 0.27 0.15 0.79 0.35 0.23 0.00 0.00 176.35 178.15 3jqj n THR 80 N 2.93 0.00 -3.64 5.49 -2.24 -0.77 -4.98 114.28 111.07 3jqj n THR 80 Ca -0.11 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3jqj n THR 80 Cb 0.52 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.76 -0.33 -0.11 3.38 0.00 -1.10 -4.95 107.32 101.44 3jqj s GLY 81 Ca 0.07 2.47 -0.05 0.00 0.00 0.00 0.00 44.72 47.22 3jqj s GLY 81 CO 0.77 1.95 0.24 0.14 0.00 0.00 0.00 173.10 176.19 3jqj s VAL 82 N 0.56 -0.29 -0.05 1.40 1.01 -1.26 -1.10 120.40 120.67 3jqj s VAL 82 Ca -0.01 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3jqj s VAL 82 Cb -0.05 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3jqj s VAL 82 CO -0.06 0.11 -0.18 -1.61 0.00 0.00 0.00 175.10 173.36 3jqj s GLU 83 N 2.08 1.91 -0.02 2.72 0.41 -0.44 -5.00 118.70 120.36 3jqj s GLU 83 Ca -0.01 -0.62 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 3jqj s GLU 83 Cb -0.12 -1.62 0.01 0.00 -1.78 0.00 0.00 34.13 30.63 3jqj s GLU 83 CO -0.08 0.22 -0.02 0.08 -0.49 0.00 0.00 175.26 174.97 3jqj s VAL 84 N 0.12 0.24 -0.06 2.63 1.01 -1.26 -1.08 120.40 122.00 3jqj s VAL 84 Ca -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3jqj s VAL 84 Cb -0.13 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.99 3jqj s VAL 84 CO 0.03 0.12 -0.12 -0.13 0.00 0.00 0.00 175.10 175.00 3jqj s ARG 85 N 0.55 1.69 -0.23 2.72 0.52 0.12 -4.99 118.95 119.33 3jqj s ARG 85 Ca -0.06 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3jqj s ARG 85 Cb -0.09 -1.40 0.06 0.00 0.52 0.00 0.00 34.95 34.04 3jqj s ARG 85 CO -0.01 0.03 -0.07 0.08 0.02 0.00 0.00 175.30 175.34 3jqj s VAL 86 N 0.66 1.66 0.01 3.52 1.01 -1.26 -0.51 120.40 125.49 3jqj s VAL 86 Ca -0.14 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.66 3jqj s VAL 86 Cb -0.16 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3jqj s VAL 86 CO 0.04 -0.02 -0.17 -1.83 0.00 0.00 0.00 175.10 173.12 3jqj s GLU 87 N 1.35 1.24 -0.14 2.72 1.03 0.38 -4.94 118.70 120.34 3jqj s GLU 87 Ca -0.05 -0.70 -0.24 0.00 0.03 0.00 0.00 54.97 54.01 3jqj s GLU 87 Cb -0.18 -1.25 -0.02 0.00 -0.80 0.00 0.00 34.13 31.88 3jqj s GLU 87 CO -0.06 0.33 0.77 -1.17 -1.33 0.00 0.00 175.26 173.79 3jqj s LEU 88 N -0.73 4.21 -0.89 1.83 0.20 -1.26 -0.44 118.68 121.60 3jqj s LEU 88 Ca 0.05 1.14 -0.05 0.00 0.69 0.00 0.00 54.13 55.96 3jqj s LEU 88 Cb -0.07 -3.15 0.22 0.00 -0.43 0.00 0.00 46.19 42.76 3jqj s LEU 88 CO 0.00 -0.30 0.80 -0.76 -0.29 0.00 0.00 176.35 175.80 3jqj s LEU 89 N 1.74 5.83 0.16 -0.68 1.43 0.65 -4.96 118.68 122.85 3jqj s LEU 89 Ca 0.37 -3.43 -0.25 0.00 -1.03 0.00 0.00 54.13 49.79 3jqj s LEU 89 Cb -0.17 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3jqj s LEU 89 CO 0.14 -0.28 1.58 0.50 0.23 0.00 0.00 176.35 178.52 3jqj h LYS 90 N 6.54 -0.27 -0.88 1.70 3.64 -1.94 -1.07 116.57 124.28 3jqj h LYS 90 Ca 0.13 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3jqj h LYS 90 Cb 0.88 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 3jqj h LYS 90 CO 0.85 -0.18 0.57 0.00 -2.27 0.00 0.00 179.45 178.43 3jqj h ALA 91 N 0.61 1.49 -0.00 5.00 0.00 -1.95 -1.35 119.26 123.06 3jqj h ALA 91 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jqj h ALA 91 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3jqj h ALA 91 CO -0.57 0.41 -0.09 0.39 0.00 0.00 0.00 179.25 179.39 3jqj n GLU 92 N -4.46 0.36 -3.57 0.00 1.02 -0.89 -4.94 120.64 108.17 3jqj n GLU 92 Ca 0.12 -0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 56.97 3jqj n GLU 92 Cb 0.14 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.25 -6.84 -3.53 3.49 5.02 -0.46 -4.91 118.16 109.69 3jqj n LYS 93 Ca 0.12 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 57.07 3jqj n LYS 93 Cb 0.29 -5.76 -0.04 0.00 -0.02 0.00 0.00 35.03 29.50 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 -5.91 1.14 -0.15 1.97 1.70 -1.05 -0.87 118.95 115.78 3jqj s ARG 94 Ca 0.28 -0.42 -0.06 0.00 -0.47 0.00 0.00 55.73 55.07 3jqj s ARG 94 Cb -0.13 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3jqj s ARG 94 CO 0.75 -0.46 0.05 0.08 -1.08 0.00 0.00 175.30 174.64 3jqj s VAL 95 N -3.23 4.68 -0.12 4.99 1.01 -0.11 -0.25 120.40 127.38 3jqj s VAL 95 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3jqj s VAL 95 Cb -0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3jqj s VAL 95 CO -0.08 0.51 -0.06 -0.60 0.00 0.00 0.00 175.10 174.88 3jqj s ARG 96 N -0.07 3.28 -0.06 2.72 3.52 0.42 -1.10 118.95 127.65 3jqj s ARG 96 Ca 0.06 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 55.17 3jqj s ARG 96 Cb -0.12 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 3jqj s ARG 96 CO 0.01 0.42 -0.23 0.42 -0.81 0.00 0.00 175.30 175.11 3jqj s ILE 97 N -0.13 1.93 0.04 4.11 1.01 0.00 -0.47 121.20 127.69 3jqj s ILE 97 Ca 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.73 3jqj s ILE 97 Cb -0.13 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3jqj s ILE 97 CO 0.03 0.54 -0.13 -1.61 0.00 0.00 0.00 174.94 173.76 3jqj s GLU 98 N -0.01 0.89 -0.07 2.79 2.02 0.33 -0.72 118.70 123.94 3jqj s GLU 98 Ca -0.07 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 3jqj s GLU 98 Cb -0.14 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.23 3jqj s GLU 98 CO 0.04 0.22 0.17 0.00 0.02 0.00 0.00 175.26 175.71 3jqj s ALA 99 N -0.84 -0.40 -0.09 5.21 0.00 -0.37 -0.70 121.76 124.57 3jqj s ALA 99 Ca 0.01 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3jqj s ALA 99 Cb -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3jqj s ALA 99 CO 0.01 -0.10 -0.11 0.99 0.00 0.00 0.00 175.76 176.55 3jqj s THR 100 N 0.30 1.14 -0.02 0.00 2.01 -0.24 -1.17 115.64 117.66 3jqj s THR 100 Ca -0.02 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.62 3jqj s THR 100 Cb -0.03 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 3jqj s THR 100 CO -0.01 0.37 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.34 3jqj s VAL 101 N 1.03 1.99 0.14 3.82 1.01 -0.38 -1.33 120.40 126.67 3jqj s VAL 101 Ca -0.07 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.86 3jqj s VAL 101 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3jqj s VAL 101 CO -0.01 0.55 -0.11 -0.54 0.00 0.00 0.00 175.10 174.98 3jqj s LYS 102 N -0.63 1.05 0.03 2.72 1.02 -0.26 -1.62 119.74 122.05 3jqj s LYS 102 Ca 0.10 -1.38 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 3jqj s LYS 102 Cb -0.10 -0.72 0.10 0.00 -0.52 0.00 0.00 37.83 36.59 3jqj s LYS 102 CO -0.01 0.11 1.22 -0.08 -0.92 0.00 0.00 175.35 175.67 3jqj s THR 103 N -2.93 0.00 -0.23 2.17 -1.32 -0.77 -1.84 115.64 110.72 3jqj s THR 103 Ca 0.14 -0.30 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 3jqj s THR 103 Cb -0.00 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.54 3jqj s THR 103 CO 0.02 0.00 -0.06 -0.54 -2.21 0.00 0.00 174.62 171.83 3jqj s LYS 104 N -2.30 1.67 0.23 7.08 1.02 -1.26 0.10 119.74 126.28 3jqj s LYS 104 Ca 0.21 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 55.07 3jqj s LYS 104 Cb 0.01 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3jqj s LYS 104 CO -0.01 -0.59 0.66 0.00 -0.92 0.00 0.00 175.35 174.50 3jqj n ALA 105 N 4.66 -1.60 1.28 5.17 0.00 -0.62 -4.89 120.51 124.51 3jqj n ALA 105 Ca -0.12 -0.86 0.13 0.00 0.00 0.00 0.00 53.44 52.59 3jqj n ALA 105 Cb 0.44 0.61 0.39 0.00 0.00 0.00 0.00 19.45 20.89 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 -0.46 1.02 -4.06 0.00 4.71 -1.26 -2.09 120.64 118.51 3jqj n GLU 106 Ca -0.04 -0.61 -0.09 0.00 -0.01 0.00 0.00 57.16 56.40 3jqj n GLU 106 Cb 0.44 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.27 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 -2.40 0.31 1.01 2.62 -4.23 -1.26 -4.83 115.64 106.86 3jqj s THR 107 Ca 0.27 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3jqj s THR 107 Cb 0.20 -0.98 0.19 0.00 1.34 0.00 0.00 72.50 73.25 3jqj s THR 107 CO 0.48 -0.71 1.15 -0.83 -0.54 0.00 0.00 174.62 174.17 3jqj s GLY 108 N -2.24 1.60 -0.22 3.99 0.00 -1.26 -4.95 107.32 104.24 3jqj s GLY 108 Ca -0.03 -0.70 0.11 0.00 0.00 0.00 0.00 44.72 44.10 3jqj s GLY 108 CO -0.04 -0.02 1.26 3.33 0.00 0.00 0.00 173.10 177.63 3jqj n VAL 109 N -4.09 2.27 -0.32 1.40 0.24 -1.26 -4.76 118.33 111.82 3jqj n VAL 109 Ca 0.09 -3.14 -0.02 0.00 -2.04 0.00 0.00 64.34 59.23 3jqj n VAL 109 Cb 0.59 -0.26 0.13 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.98 1.21 -0.33 7.34 3.07 -1.93 -2.60 114.58 122.32 3jqj h GLU 110 Ca 0.04 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3jqj h GLU 110 Cb 1.12 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 3jqj h GLU 110 CO 0.07 0.84 -0.17 0.52 -1.40 0.00 0.00 179.01 178.87 3jqj h MET 111 N 1.24 0.60 -0.62 2.33 2.86 -1.99 -0.96 114.93 118.38 3jqj h MET 111 Ca 0.32 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3jqj h MET 111 Cb -0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3jqj h MET 111 CO -0.06 0.75 0.09 0.93 1.06 0.00 0.00 176.91 179.67 3jqj h GLU 112 N 0.54 1.04 -0.17 1.72 3.07 -1.80 0.19 114.58 119.17 3jqj h GLU 112 Ca 0.09 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.63 3jqj h GLU 112 Cb 0.60 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3jqj h GLU 112 CO 0.04 0.97 -0.04 0.00 -1.40 0.00 0.00 179.01 178.59 3jqj h ALA 113 N 1.02 0.23 -0.52 3.43 0.00 -1.27 -0.48 119.26 121.68 3jqj h ALA 113 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jqj h ALA 113 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3jqj h ALA 113 CO 0.01 -0.01 0.24 0.52 0.00 0.00 0.00 179.25 180.01 3jqj h MET 114 N 0.03 0.75 -0.62 0.00 2.86 -1.03 -2.38 114.93 114.54 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 0.47 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3jqj h MET 114 CO 0.02 0.63 0.03 1.15 1.06 0.00 0.00 176.91 179.80 3jqj h THR 115 N 0.69 1.26 -0.38 2.22 2.02 -0.61 -1.16 112.91 116.97 3jqj h THR 115 Ca 0.18 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.28 3jqj h THR 115 Cb 0.14 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3jqj h THR 115 CO -0.02 0.41 0.20 0.00 0.37 0.00 0.00 175.52 176.47 3jqj h ALA 116 N 1.05 0.47 -0.40 6.16 0.00 -0.88 -1.19 119.26 124.47 3jqj h ALA 116 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3jqj h ALA 116 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3jqj h ALA 116 CO 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 3jqj h ALA 118 N 0.86 0.76 0.00 0.00 0.00 -0.97 -0.60 119.26 119.31 3jqj h ALA 118 Ca 0.11 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3jqj h ALA 118 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3jqj h ALA 118 CO 0.03 0.27 -0.71 0.28 0.00 0.00 0.00 179.25 179.13 3jqj h VAL 119 N 0.81 1.46 -0.43 0.00 2.07 -1.23 -0.60 116.25 118.34 3jqj h VAL 119 Ca 0.21 -2.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.17 3jqj h VAL 119 Cb 0.03 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3jqj h VAL 119 CO -0.04 0.69 -0.16 0.00 0.02 0.00 0.00 177.57 178.09 3jqj h ALA 120 N 1.29 0.60 -0.26 1.67 0.00 -1.11 -0.69 119.26 120.75 3jqj h ALA 120 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3jqj h ALA 120 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3jqj h ALA 120 CO 0.09 0.53 0.12 0.00 0.00 0.00 0.00 179.25 179.99 3jqj h ALA 121 N 0.84 0.34 -0.33 0.00 0.00 -0.92 -0.44 119.26 118.75 3jqj h ALA 121 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3jqj h ALA 121 Cb 0.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3jqj h ALA 121 CO 0.05 -0.09 0.22 -0.07 0.00 0.00 0.00 179.25 179.36 3jqj h LEU 122 N 0.29 0.32 -0.24 0.00 3.38 -0.97 -1.00 115.31 117.09 3jqj h LEU 122 Ca 0.09 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 3jqj h LEU 122 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3jqj h LEU 122 CO -0.01 0.22 -0.87 0.74 0.09 0.00 0.00 178.44 178.61 3jqj h THR 123 N 0.37 1.39 -0.76 0.22 2.02 -0.55 -1.03 112.91 114.57 3jqj h THR 123 Ca 0.13 -2.35 -0.00 0.00 0.77 0.00 0.00 66.41 64.96 3jqj h THR 123 Cb 0.07 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 3jqj h THR 123 CO -0.03 0.70 0.46 0.58 0.37 0.00 0.00 175.52 177.61 3jqj h VAL 124 N 0.25 1.21 -0.21 3.16 2.07 -0.10 -0.44 116.25 122.19 3jqj h VAL 124 Ca -0.06 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3jqj h VAL 124 Cb 1.49 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3jqj h VAL 124 CO 0.15 0.22 0.13 0.22 0.02 0.00 0.00 177.57 178.31 3jqj h TYR 125 N 1.04 0.28 -0.68 1.57 3.20 -1.02 -2.33 116.97 119.03 3jqj h TYR 125 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3jqj h TYR 125 Cb -0.04 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 3jqj h TYR 125 CO -0.01 0.21 0.44 0.22 -1.64 0.00 0.00 178.16 177.38 3jqj h ASP 126 N 0.27 0.79 1.03 -2.11 3.58 -0.64 0.38 116.42 119.72 3jqj h ASP 126 Ca 0.08 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3jqj h ASP 126 Cb 0.01 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.86 3jqj h ASP 126 CO -0.01 0.59 0.00 0.23 -2.88 0.00 0.00 179.24 177.16 3jqj n MET 127 N -4.42 0.09 0.00 0.28 2.81 -0.22 -3.99 117.12 111.67 3jqj n MET 127 Ca 0.07 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3jqj n MET 127 Cb 0.05 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 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 -1.77 0.24 0.33 4.03 4.77 -0.85 -4.19 117.00 119.57 3jqj n LEU 128 Ca 0.06 -0.40 0.21 0.00 -0.03 0.00 0.00 56.01 55.85 3jqj n LEU 128 Cb 0.33 0.00 1.14 0.00 -2.33 0.00 0.00 43.42 42.56 3jqj n LEU 128 CO 0.25 0.06 1.17 0.07 -1.33 0.00 0.00 177.39 177.61 3jqj h LYS 129 N 0.00 0.00 0.00 3.23 2.10 -0.40 -0.02 116.57 121.48 3jqj h LYS 129 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3jqj h LYS 129 Cb 0.10 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3jqj h LYS 129 CO 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 179.45 177.34 3jqj h ALA 130 N 2.00 1.23 0.13 0.07 0.00 -1.84 -2.59 119.26 118.27 3jqj h ALA 130 Ca -0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 3jqj h ALA 130 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jqj h ALA 130 CO 0.00 0.14 -1.89 0.00 0.00 0.00 0.00 179.25 177.49 3jqj h ALA 131 N 1.89 0.37 -2.26 0.00 0.00 -1.37 -3.47 119.26 114.43 3jqj h ALA 131 Ca -0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 54.91 53.55 3jqj h ALA 131 Cb 0.35 0.61 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 3jqj h ALA 131 CO 0.01 1.25 -0.31 -1.12 0.00 0.00 0.00 179.25 179.08 3jqj s SER 132 N -7.05 -0.51 0.00 0.00 0.01 -0.98 -4.79 113.70 100.39 3jqj s SER 132 Ca -0.19 1.08 0.29 0.00 1.31 0.00 0.00 55.95 58.45 3jqj s SER 132 Cb 0.06 1.62 1.22 0.00 0.21 0.00 0.00 66.02 69.14 3jqj s SER 132 CO 0.80 -0.24 1.91 0.29 0.41 0.00 0.00 173.24 176.41 3jqj n LYS 133 N 5.41 0.07 0.00 12.44 5.02 -1.19 -3.64 118.16 136.26 3jqj n LYS 133 Ca -0.09 -0.01 0.15 0.00 -2.02 0.00 0.00 58.31 56.35 3jqj n LYS 133 Cb 0.49 -1.50 0.68 0.00 -0.02 0.00 0.00 35.03 34.69 3jqj n LYS 133 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jqj n GLY 134 N 1.47 -0.39 3.63 0.72 0.00 -1.26 -4.93 105.19 104.43 3jqj n GLY 134 Ca 0.08 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.29 2.76 -4.31 0.99 4.77 -1.24 -4.98 117.00 114.71 3jqj n LEU 135 Ca 0.21 1.11 -0.32 0.00 -0.03 0.00 0.00 56.01 56.98 3jqj n LEU 135 Cb 0.26 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 39.82 3jqj n LEU 135 CO 0.17 -1.16 -0.54 -0.69 -1.33 0.00 0.00 177.39 173.84 3jqj s VAL 136 N -1.18 2.28 -0.17 4.08 1.01 -1.21 -4.99 120.40 120.22 3jqj s VAL 136 Ca 0.60 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3jqj s VAL 136 Cb -0.59 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3jqj s VAL 136 CO 0.59 0.57 0.49 -0.63 0.00 0.00 0.00 175.10 176.12 3jqj s ILE 137 N -0.24 5.15 0.06 2.22 1.01 -1.26 -0.97 121.20 127.16 3jqj s ILE 137 Ca -0.01 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.58 3jqj s ILE 137 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3jqj s ILE 137 CO 0.03 0.24 -0.06 -0.94 0.00 0.00 0.00 174.94 174.21 3jqj s SER 138 N 0.95 0.79 -1.23 3.58 1.04 0.13 -4.94 113.70 114.02 3jqj s SER 138 Ca 0.24 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 3jqj s SER 138 Cb -0.15 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3jqj s SER 138 CO 0.10 -0.35 0.91 0.00 0.98 0.00 0.00 173.24 174.88 3jqj n GLN 139 N 0.88 -6.12 -2.50 4.02 1.13 -1.26 -0.83 117.38 112.69 3jqj n GLN 139 Ca -0.19 0.78 -0.43 0.00 -1.94 0.00 0.00 57.00 55.22 3jqj n GLN 139 Cb 0.57 -5.66 -0.02 0.00 0.11 0.00 0.00 30.24 25.24 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 -3.45 4.33 0.07 5.09 1.01 -1.26 -4.13 120.40 122.06 3jqj s VAL 140 Ca 0.01 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3jqj s VAL 140 Cb -0.00 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.21 3jqj s VAL 140 CO 0.75 -0.37 0.41 0.00 0.00 0.00 0.00 175.10 175.90 3jqj s ARG 141 N 3.78 0.97 0.21 2.72 1.70 -0.36 -5.00 118.95 122.98 3jqj s ARG 141 Ca 0.52 -0.48 -0.26 0.00 -0.47 0.00 0.00 55.73 55.03 3jqj s ARG 141 Cb -0.16 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 3jqj s ARG 141 CO 0.17 -0.35 0.84 -1.17 -1.08 0.00 0.00 175.30 173.72 3jqj s LEU 142 N -2.28 4.56 -0.08 -1.89 2.96 -1.26 -1.07 118.68 119.62 3jqj s LEU 142 Ca -0.02 1.74 0.07 0.00 -0.22 0.00 0.00 54.13 55.70 3jqj s LEU 142 Cb 0.00 -3.50 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 3jqj s LEU 142 CO -0.06 0.15 0.03 0.18 -1.32 0.00 0.00 176.35 175.33 3jqj n LEU 143 N 1.36 0.09 -3.48 -0.68 4.77 0.19 -4.60 117.00 114.65 3jqj n LEU 143 Ca -0.03 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3jqj n LEU 143 Cb 0.49 0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 3jqj n LEU 143 CO 0.47 0.23 0.51 -2.28 -1.33 0.00 0.00 177.39 174.98 3jqj s HIS 144 N -2.21 -0.52 -0.25 -1.77 5.04 -0.89 -1.21 115.29 113.48 3jqj s HIS 144 Ca -0.05 0.58 -0.26 0.00 -1.54 0.00 0.00 55.06 53.80 3jqj s HIS 144 Cb 0.03 0.50 0.10 0.00 0.04 0.00 0.00 32.58 33.24 3jqj s HIS 144 CO 0.35 -0.67 0.89 -1.59 -2.34 0.00 0.00 174.74 171.38 3jqj s LYS 145 N -2.58 0.68 0.03 2.88 -2.85 -0.36 -0.31 119.74 117.23 3jqj s LYS 145 Ca -0.02 0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 55.60 3jqj s LYS 145 Cb -0.01 0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 3jqj s LYS 145 CO -0.04 -0.11 0.00 0.00 0.10 0.00 0.00 175.35 175.31 3jqj s ALA 146 N 0.04 0.16 0.00 0.59 0.00 -0.63 0.34 121.76 122.25 3jqj s ALA 146 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3jqj s ALA 146 Cb -0.04 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3jqj s ALA 146 CO -0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3jqj n GLY 147 N 1.06 1.36 0.00 0.00 0.00 -1.26 -2.74 105.19 103.60 3jqj n GLY 147 Ca -0.20 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.52 -0.53 0.34 -0.02 0.00 -1.26 -4.24 105.19 101.00 3jqj n GLY 148 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.31 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 1.14 0.00 1.61 3.64 -1.99 -2.55 116.57 118.43 3jqj h LYS 149 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3jqj h LYS 149 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3jqj h LYS 149 CO 0.00 0.76 0.00 0.43 -2.27 0.00 0.00 179.45 178.37 3jqj n SER 150 N -4.49 0.00 -0.47 4.20 7.64 -1.26 -4.99 113.62 114.25 3jqj n SER 150 Ca 0.11 0.15 0.05 0.00 1.01 0.00 0.00 58.87 60.18 3jqj n SER 150 Cb 0.05 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.93 3jqj n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jqj n GLY 151 N -0.14 -1.97 3.76 0.23 0.00 -0.96 -4.86 105.19 101.25 3jqj n GLY 151 Ca 0.06 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.91 3.39 -0.02 1.61 2.12 -1.26 -4.45 118.70 119.18 3jqj s GLU 152 Ca 0.00 2.00 -0.03 0.00 0.36 0.00 0.00 54.97 57.30 3jqj s GLU 152 Cb 0.00 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 32.10 3jqj s GLU 152 CO 0.00 -0.92 0.08 -0.46 -0.54 0.00 0.00 175.26 173.42 3jqj s TRP 153 N -1.43 -0.05 -0.10 5.30 -0.00 0.15 -4.98 118.94 117.83 3jqj s TRP 153 Ca 0.69 0.13 -0.05 0.00 -0.00 0.00 0.00 56.10 56.87 3jqj s TRP 153 Cb -0.34 0.00 0.05 0.00 -0.00 0.00 0.00 33.47 33.18 3jqj s TRP 153 CO 0.41 -0.08 0.24 0.50 -0.00 0.00 0.00 176.95 178.01 3jqj s ARG 154 N -0.23 0.19 0.00 5.86 3.52 -1.26 -1.22 118.95 125.81 3jqj s ARG 154 Ca -0.03 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 3jqj s ARG 154 Cb -0.02 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 3jqj s ARG 154 CO 0.00 -0.18 0.16 -2.13 -0.81 0.00 0.00 175.30 172.34