#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulj s ALA 18 N 0.00 2.77 0.23 6.99 0.00 -1.26 -4.92 121.76 125.57 1ulj s ALA 18 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 1ulj s ALA 18 Cb 0.00 -3.22 0.36 0.00 0.00 0.00 0.00 23.12 20.26 1ulj s ALA 18 CO 0.00 -0.76 1.74 -0.44 0.00 0.00 0.00 175.76 176.30 1ulj h ASP 19 N 0.50 0.27 -0.77 0.00 3.32 -1.94 -2.33 116.42 115.47 1ulj h ASP 19 Ca -0.47 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1ulj h ASP 19 Cb 1.22 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 1ulj h ASP 19 CO 0.58 0.13 0.46 0.00 -1.72 0.00 0.00 179.24 178.69 1ulj h ALA 20 N 1.48 1.35 -0.44 3.45 0.00 -1.98 -1.92 119.26 121.19 1ulj h ALA 20 Ca 0.36 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ulj h ALA 20 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ulj h ALA 20 CO -0.35 0.56 -0.11 -0.44 0.00 0.00 0.00 179.25 178.91 1ulj h ASP 21 N 1.07 0.77 -0.38 0.00 3.32 -1.84 -3.08 116.42 116.29 1ulj h ASP 21 Ca 0.28 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1ulj h ASP 21 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1ulj h ASP 21 CO -0.05 0.90 -0.15 0.40 -1.72 0.00 0.00 179.24 178.63 1ulj h ILE 22 N 0.71 1.26 -0.20 0.35 2.04 -0.89 -3.17 117.51 117.62 1ulj h ILE 22 Ca 0.12 -1.25 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1ulj h ILE 22 Cb 0.59 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ulj h ILE 22 CO 0.04 0.43 -0.18 0.00 0.00 0.00 0.00 178.15 178.43 1ulj h ALA 23 N 1.08 1.33 0.00 1.87 0.00 -1.29 -2.32 119.26 119.93 1ulj h ALA 23 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ulj h ALA 23 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ulj h ALA 23 CO 0.05 0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1ulj n GLU 24 N -4.20 0.09 0.23 0.00 1.02 -1.17 -2.90 120.64 113.71 1ulj n GLU 24 Ca -0.00 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1ulj n GLU 24 Cb 0.33 -1.67 0.40 0.00 -0.02 0.00 0.00 31.44 30.48 1ulj n GLU 24 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ulj h LEU 25 N 0.00 0.00 -7.92 -4.62 3.38 -1.47 -3.44 115.31 101.24 1ulj h LEU 25 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1ulj h LEU 25 Cb 0.33 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.75 1ulj h LEU 25 CO 0.00 0.11 -0.79 -0.69 0.09 0.00 0.00 178.44 177.15 1ulj s VAL 26 N -3.44 0.82 -0.27 1.22 1.01 -1.14 -1.14 120.40 117.46 1ulj s VAL 26 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1ulj s VAL 26 Cb 0.08 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.78 1ulj s VAL 26 CO 0.63 0.27 0.04 -0.62 0.00 0.00 0.00 175.10 175.42 1ulj s ASP 27 N 0.49 3.84 0.27 3.32 -1.08 -0.85 -4.93 116.67 117.73 1ulj s ASP 27 Ca -0.08 -1.41 0.11 0.00 -0.52 0.00 0.00 52.55 50.65 1ulj s ASP 27 Cb -0.12 -0.97 0.33 0.00 -1.46 0.00 0.00 42.92 40.70 1ulj s ASP 27 CO 0.01 -0.34 1.59 -0.08 0.52 0.00 0.00 175.17 176.87 1ulj h GLU 28 N 8.04 0.00 0.19 4.34 4.81 -1.91 -0.28 114.58 129.77 1ulj h GLU 28 Ca -0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ulj h GLU 28 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1ulj h GLU 28 CO 0.43 0.63 -0.09 -0.09 -0.73 0.00 0.00 179.01 179.16 1ulj h ARG 29 N 0.00 -0.25 0.05 1.92 2.43 -1.97 -3.34 114.38 113.22 1ulj h ARG 29 Ca -0.01 0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.87 1ulj h ARG 29 Cb 1.15 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1ulj h ARG 29 CO 0.08 0.03 -1.71 1.79 -1.51 0.00 0.00 179.97 178.66 1ulj h THR 30 N -0.52 0.90 -1.72 0.20 1.35 -1.96 -3.50 112.91 107.66 1ulj h THR 30 Ca -0.03 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1ulj h THR 30 Cb 0.39 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1ulj h THR 30 CO 0.04 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 1ulj n GLY 31 N 1.68 0.45 2.93 5.82 0.00 -0.15 -4.63 105.19 111.29 1ulj n GLY 31 Ca -0.20 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 1ulj n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ulj s ARG 32 N -2.57 0.34 -0.19 1.61 1.81 -0.99 -1.39 118.95 117.57 1ulj s ARG 32 Ca 0.00 -0.13 -0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1ulj s ARG 32 Cb 0.00 -0.34 0.05 0.00 -0.45 0.00 0.00 34.95 34.21 1ulj s ARG 32 CO 0.00 0.07 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.13 1ulj s LEU 33 N -0.01 1.92 0.07 2.53 1.43 -1.00 -2.01 118.68 121.62 1ulj s LEU 33 Ca 0.01 -0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 1ulj s LEU 33 Cb -0.03 -0.99 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 1ulj s LEU 33 CO -0.00 -0.21 1.85 -0.62 0.23 0.00 0.00 176.35 177.60 1ulj s ASP 34 N 1.56 6.47 0.56 2.29 3.68 -0.29 -0.29 116.67 130.65 1ulj s ASP 34 Ca -0.02 2.66 0.37 0.00 2.13 0.00 0.00 52.55 57.69 1ulj s ASP 34 Cb -0.17 -2.55 1.86 0.00 -1.45 0.00 0.00 42.92 40.61 1ulj s ASP 34 CO -0.07 -1.01 2.13 -0.65 0.13 0.00 0.00 175.17 175.70 1ulj h PRO 35 N 9.40 0.00 0.00 4.34 0.11 -1.80 -2.88 132.00 141.16 1ulj h PRO 35 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ulj h PRO 35 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ulj h PRO 35 CO 0.94 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.27 1ulj n ARG 36 N -2.93 0.11 0.23 1.05 1.74 -1.26 -1.86 116.66 113.74 1ulj n ARG 36 Ca -0.01 0.55 0.07 0.00 -0.77 0.00 0.00 57.85 57.68 1ulj n ARG 36 Cb 0.15 -1.81 0.56 0.00 -1.02 0.00 0.00 32.46 30.34 1ulj n ARG 36 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1ulj h ILE 37 N 0.00 1.03 -0.01 0.55 3.07 -1.90 -2.37 117.51 117.88 1ulj h ILE 37 Ca 0.00 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1ulj h ILE 37 Cb 0.07 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1ulj h ILE 37 CO 0.00 0.15 -0.02 -1.22 -1.05 0.00 0.00 178.15 176.01 1ulj n TYR 38 N -4.23 0.00 0.00 0.16 4.01 -0.78 -4.59 117.16 111.73 1ulj n TYR 38 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ulj n TYR 38 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1ulj n TYR 38 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ulj n THR 39 N -0.25 0.00 -1.68 -0.72 -2.24 -1.05 -4.56 114.28 103.78 1ulj n THR 39 Ca 0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 1ulj n THR 39 Cb 0.29 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1ulj n THR 39 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ulj n ASP 40 N -1.57 4.01 -0.28 3.42 -0.08 -0.92 -4.83 116.55 116.31 1ulj n ASP 40 Ca 0.00 0.96 -0.06 0.00 -1.51 0.00 0.00 54.79 54.17 1ulj n ASP 40 Cb 0.15 -1.52 0.06 0.00 2.34 0.00 0.00 41.12 42.15 1ulj n ASP 40 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ulj h GLU 41 N 9.32 1.15 -0.48 -0.67 4.39 -1.98 -2.46 114.58 123.85 1ulj h GLU 41 Ca -0.48 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 58.93 1ulj h GLU 41 Cb 1.23 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1ulj h GLU 41 CO 0.94 0.95 0.00 0.00 -1.16 0.00 0.00 179.01 179.75 1ulj h ALA 42 N 1.15 1.10 0.12 3.43 0.00 -2.00 -2.11 119.26 120.95 1ulj h ALA 42 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ulj h ALA 42 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ulj h ALA 42 CO -0.02 0.57 -0.06 -0.07 0.00 0.00 0.00 179.25 179.68 1ulj h LEU 43 N 0.75 -0.14 -0.74 0.00 3.38 -1.92 -2.76 115.31 113.88 1ulj h LEU 43 Ca 0.15 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1ulj h LEU 43 Cb 0.45 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 1ulj h LEU 43 CO 0.02 -0.02 0.13 0.22 0.09 0.00 0.00 178.44 178.88 1ulj h TYR 44 N -0.25 0.19 -0.69 1.13 3.20 -1.10 0.28 116.97 119.72 1ulj h TYR 44 Ca -0.02 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1ulj h TYR 44 Cb 0.20 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1ulj h TYR 44 CO -0.04 -0.14 0.17 0.93 -1.64 0.00 0.00 178.16 177.44 1ulj h GLU 45 N 0.21 1.11 -0.12 1.82 5.08 -1.30 -1.93 114.58 119.44 1ulj h GLU 45 Ca 0.42 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ulj h GLU 45 Cb 0.74 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ulj h GLU 45 CO -0.56 0.98 -0.30 0.37 -1.00 0.00 0.00 179.01 178.51 1ulj h GLN 46 N 1.04 0.23 -0.55 2.33 4.15 -0.87 -2.53 115.11 118.91 1ulj h GLN 46 Ca 0.22 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1ulj h GLN 46 Cb 0.37 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1ulj h GLN 46 CO 0.00 0.51 0.13 0.93 -1.93 0.00 0.00 178.83 178.47 1ulj h GLU 47 N 0.20 0.85 -0.48 1.69 5.08 0.21 0.78 114.58 122.91 1ulj h GLU 47 Ca 0.03 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1ulj h GLU 47 Cb 0.63 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ulj h GLU 47 CO 0.05 0.76 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.69 1ulj h LEU 48 N 0.81 0.83 0.07 1.33 3.38 -0.98 0.42 115.31 121.17 1ulj h LEU 48 Ca 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ulj h LEU 48 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ulj h LEU 48 CO -0.00 0.93 -0.03 -0.08 0.09 0.00 0.00 178.44 179.35 1ulj h GLU 49 N 0.77 -0.09 0.00 1.13 4.81 -1.25 -1.02 114.58 118.93 1ulj h GLU 49 Ca 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1ulj h GLU 49 Cb 0.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1ulj h GLU 49 CO 0.03 0.45 -1.90 0.54 -0.73 0.00 0.00 179.01 177.40 1ulj n ARG 50 N -4.85 0.63 -0.03 1.92 1.74 0.25 -3.33 116.66 112.99 1ulj n ARG 50 Ca -0.08 -0.17 -0.03 0.00 -0.77 0.00 0.00 57.85 56.79 1ulj n ARG 50 Cb 0.29 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1ulj n ARG 50 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ulj n ILE 51 N -2.25 0.61 0.22 0.55 5.41 0.00 -4.59 119.36 119.32 1ulj n ILE 51 Ca -0.03 0.32 0.10 0.00 1.00 0.00 0.00 62.75 64.13 1ulj n ILE 51 Cb 0.56 -1.74 0.49 0.00 -0.71 0.00 0.00 39.64 38.24 1ulj n ILE 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1ulj h PHE 52 N -0.34 0.00 0.00 1.39 -1.00 -1.28 -0.87 116.94 114.84 1ulj h PHE 52 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ulj h PHE 52 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1ulj h PHE 52 CO -0.15 0.23 0.00 0.41 -1.61 0.00 0.00 178.31 177.20 1ulj n GLY 53 N -0.02 -1.47 0.36 -1.45 0.00 -0.39 -4.07 105.19 98.15 1ulj n GLY 53 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ulj n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ulj n ARG 54 N -1.50 0.00 -3.57 1.61 1.85 -1.07 -4.17 116.66 109.81 1ulj n ARG 54 Ca 0.07 -0.64 -0.20 0.00 -1.00 0.00 0.00 57.85 56.08 1ulj n ARG 54 Cb 0.33 -0.37 -0.01 0.00 -1.05 0.00 0.00 32.46 31.36 1ulj n ARG 54 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1ulj s SER 55 N -0.54 6.05 -0.15 2.89 0.01 -0.35 -4.81 113.70 116.80 1ulj s SER 55 Ca 0.00 -0.11 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 1ulj s SER 55 Cb 0.00 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1ulj s SER 55 CO 0.00 -0.36 0.64 0.26 0.41 0.00 0.00 173.24 174.19 1ulj s TRP 56 N -2.14 3.46 0.03 2.43 0.52 -1.26 -4.29 118.94 117.68 1ulj s TRP 56 Ca 0.43 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.66 1ulj s TRP 56 Cb -0.09 -2.78 -0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1ulj s TRP 56 CO 0.31 -0.05 -0.21 -0.51 0.02 0.00 0.00 176.95 176.51 1ulj s LEU 57 N 1.41 2.13 -0.23 2.99 1.43 -0.13 -4.56 118.68 121.71 1ulj s LEU 57 Ca 0.32 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 1ulj s LEU 57 Cb -0.16 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1ulj s LEU 57 CO 0.13 0.19 1.52 -0.22 0.23 0.00 0.00 176.35 178.20 1ulj s LEU 58 N -0.98 3.92 0.09 1.79 2.96 -1.26 -0.78 118.68 124.42 1ulj s LEU 58 Ca 0.08 1.54 0.23 0.00 -0.22 0.00 0.00 54.13 55.76 1ulj s LEU 58 Cb -0.09 -3.53 0.15 0.00 0.50 0.00 0.00 46.19 43.22 1ulj s LEU 58 CO 0.01 -1.18 1.13 0.23 -1.32 0.00 0.00 176.35 175.22 1ulj n MET 59 N 7.51 0.33 0.00 1.98 2.81 0.18 -4.88 117.12 125.05 1ulj n MET 59 Ca 0.17 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1ulj n MET 59 Cb 0.45 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1ulj n MET 59 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ulj n GLY 60 N 1.34 0.32 2.84 3.03 0.00 -1.19 -4.93 105.19 106.60 1ulj n GLY 60 Ca 0.02 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 1ulj n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ulj s HIS 61 N -2.52 0.50 0.14 1.61 2.46 -1.26 -0.41 115.29 115.81 1ulj s HIS 61 Ca 0.00 -0.09 -0.03 0.00 0.47 0.00 0.00 55.06 55.41 1ulj s HIS 61 Cb 0.00 -0.53 0.25 0.00 -0.13 0.00 0.00 32.58 32.17 1ulj s HIS 61 CO 0.00 -0.16 0.76 0.39 -2.47 0.00 0.00 174.74 173.25 1ulj n GLU 62 N 4.16 -0.04 0.02 2.88 1.02 -0.33 -0.30 120.64 128.05 1ulj n GLU 62 Ca -0.25 0.75 0.11 0.00 -0.02 0.00 0.00 57.16 57.76 1ulj n GLU 62 Cb 0.51 -1.13 0.49 0.00 -0.02 0.00 0.00 31.44 31.28 1ulj n GLU 62 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ulj n THR 63 N -4.74 0.43 0.22 2.62 -2.24 -1.26 -2.27 114.28 107.03 1ulj n THR 63 Ca 0.08 0.07 0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1ulj n THR 63 Cb 0.27 -0.71 0.47 0.00 -2.10 0.00 0.00 70.33 68.26 1ulj n THR 63 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ulj h GLN 64 N 0.00 0.00 -2.08 -0.78 4.20 -0.97 -3.36 115.11 112.12 1ulj h GLN 64 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1ulj h GLN 64 Cb 0.43 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.81 1ulj h GLN 64 CO 0.00 0.23 -0.95 0.44 -0.67 0.00 0.00 178.83 177.88 1ulj n ILE 65 N -3.44 0.53 -0.01 2.54 -5.35 -0.96 -4.93 119.36 107.74 1ulj n ILE 65 Ca -0.00 -4.58 -0.17 0.00 -0.27 0.00 0.00 62.75 57.73 1ulj n ILE 65 Cb 0.42 -1.61 -0.09 0.00 -1.74 0.00 0.00 39.64 36.62 1ulj n ILE 65 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1ulj h PRO 66 N 3.75 0.55 -6.55 6.28 0.13 -1.72 -3.43 132.00 131.01 1ulj h PRO 66 Ca 0.11 -0.49 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 1ulj h PRO 66 Cb 0.81 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1ulj h PRO 66 CO 0.60 1.12 -0.08 0.15 -0.23 0.00 0.00 178.00 179.55 1ulj s LYS 67 N -3.55 3.70 0.09 0.86 1.02 -1.26 -5.03 119.74 115.57 1ulj s LYS 67 Ca -0.12 0.15 -0.35 0.00 0.02 0.00 0.00 55.97 55.67 1ulj s LYS 67 Cb 0.06 -2.59 -0.15 0.00 -0.52 0.00 0.00 37.83 34.63 1ulj s LYS 67 CO 0.85 0.18 1.53 0.00 -0.92 0.00 0.00 175.35 176.99 1ulj n ALA 68 N -0.85 0.42 0.00 5.17 0.00 -1.26 -1.77 120.51 122.22 1ulj n ALA 68 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1ulj n ALA 68 Cb 0.54 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1ulj n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulj n GLY 69 N 3.25 1.59 3.76 0.00 0.00 -0.31 -4.89 105.19 108.58 1ulj n GLY 69 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ulj n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ulj s ASP 70 N -1.67 6.90 0.04 1.61 -0.00 -0.73 -1.21 116.67 121.61 1ulj s ASP 70 Ca 0.00 2.56 -0.08 0.00 -0.00 0.00 0.00 52.55 55.02 1ulj s ASP 70 Cb 0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1ulj s ASP 70 CO 0.00 -0.45 0.17 0.72 -0.00 0.00 0.00 175.17 175.61 1ulj s PHE 71 N -0.95 0.08 -0.01 4.23 -0.71 -0.58 -1.24 117.98 118.80 1ulj s PHE 71 Ca 0.49 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 56.00 1ulj s PHE 71 Cb -0.38 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1ulj s PHE 71 CO 0.48 -0.41 0.14 0.00 -1.34 0.00 0.00 175.22 174.09 1ulj s MET 72 N -2.49 0.42 0.43 1.99 0.23 -0.75 -1.93 119.30 117.20 1ulj s MET 72 Ca -0.06 -0.27 -0.07 0.00 -1.03 0.00 0.00 55.69 54.26 1ulj s MET 72 Cb -0.02 0.18 -0.05 0.00 -1.53 0.00 0.00 34.83 33.41 1ulj s MET 72 CO -0.04 -0.09 0.75 0.95 -2.03 0.00 0.00 175.02 174.56 1ulj s THR 73 N -1.08 4.88 0.00 3.16 -4.23 -0.79 -1.06 115.64 116.52 1ulj s THR 73 Ca -0.12 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 1ulj s THR 73 Cb -0.06 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ulj s THR 73 CO 0.01 -0.68 0.00 -3.20 -0.54 0.00 0.00 174.62 170.21 1ulj n ASN 74 N -1.80 0.00 -3.91 3.99 2.85 -0.55 -4.91 115.26 110.94 1ulj n ASN 74 Ca 0.01 -0.22 -0.11 0.00 -0.11 0.00 0.00 54.58 54.15 1ulj n ASN 74 Cb 0.55 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.44 1ulj n ASN 74 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1ulj s TYR 75 N -2.95 0.08 -0.36 1.20 2.02 -1.26 -1.99 117.35 114.10 1ulj s TYR 75 Ca 0.00 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1ulj s TYR 75 Cb 0.00 -0.07 0.10 0.00 -0.40 0.00 0.00 41.96 41.59 1ulj s TYR 75 CO 0.00 -0.09 0.09 -1.64 -1.57 0.00 0.00 175.55 172.34 1ulj s MET 76 N -0.61 1.76 6.40 -0.62 -1.94 -0.71 -4.94 119.30 118.64 1ulj s MET 76 Ca -0.07 -1.79 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 1ulj s MET 76 Cb -0.04 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1ulj s MET 76 CO -0.00 -0.94 0.00 0.41 -0.01 0.00 0.00 175.02 174.47 1ulj n GLY 77 N 4.40 1.40 1.36 -0.03 0.00 -1.26 -2.11 105.19 108.95 1ulj n GLY 77 Ca -0.00 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.59 1ulj n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulj n GLU 78 N 12.69 3.10 -2.73 1.61 1.02 -1.26 -4.45 120.64 130.62 1ulj n GLU 78 Ca 0.00 -2.69 -0.43 0.00 -0.02 0.00 0.00 57.16 54.02 1ulj n GLU 78 Cb 0.00 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1ulj n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ulj s ASP 79 N -0.99 6.95 0.22 1.62 1.11 -0.90 -5.03 116.67 119.66 1ulj s ASP 79 Ca 0.47 1.14 -0.30 0.00 0.18 0.00 0.00 52.55 54.04 1ulj s ASP 79 Cb 0.27 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 41.67 1ulj s ASP 79 CO 0.28 -0.70 1.02 -2.16 1.18 0.00 0.00 175.17 174.80 1ulj s PRO 80 N 3.25 4.72 0.06 8.23 0.04 -1.26 -1.73 135.00 148.30 1ulj s PRO 80 Ca 0.41 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1ulj s PRO 80 Cb -0.14 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1ulj s PRO 80 CO 0.10 0.30 -0.12 0.14 0.04 0.00 0.00 177.00 177.46 1ulj s VAL 81 N -0.84 0.88 -0.03 -0.36 -7.23 -0.84 -0.69 120.40 111.28 1ulj s VAL 81 Ca 0.44 -1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 59.29 1ulj s VAL 81 Cb -0.28 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 1ulj s VAL 81 CO 0.35 -0.29 0.31 -0.04 -0.31 0.00 0.00 175.10 175.12 1ulj s MET 82 N -1.67 3.72 -0.26 4.82 -1.94 0.49 -1.48 119.30 122.98 1ulj s MET 82 Ca -0.05 0.18 0.01 0.00 -1.71 0.00 0.00 55.69 54.11 1ulj s MET 82 Cb -0.10 -3.18 0.07 0.00 2.01 0.00 0.00 34.83 33.63 1ulj s MET 82 CO 0.01 0.71 -0.01 0.08 -0.01 0.00 0.00 175.02 175.80 1ulj s VAL 83 N -1.10 1.49 -0.07 -6.03 1.01 -0.23 -1.55 120.40 113.91 1ulj s VAL 83 Ca 0.22 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1ulj s VAL 83 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1ulj s VAL 83 CO 0.11 -0.25 -0.09 -0.69 0.00 0.00 0.00 175.10 174.17 1ulj s VAL 84 N 1.38 0.97 0.05 2.92 1.01 -0.11 -1.81 120.40 124.80 1ulj s VAL 84 Ca -0.01 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 1ulj s VAL 84 Cb -0.19 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1ulj s VAL 84 CO -0.09 0.33 1.37 -0.60 0.00 0.00 0.00 175.10 176.11 1ulj s ARG 85 N 1.00 4.31 0.66 2.72 6.06 -0.38 -1.65 118.95 131.68 1ulj s ARG 85 Ca -0.09 1.98 -0.01 0.00 -2.50 0.00 0.00 55.73 55.11 1ulj s ARG 85 Cb -0.15 -3.44 0.09 0.00 0.06 0.00 0.00 34.95 31.51 1ulj s ARG 85 CO -0.00 -0.49 0.92 -0.65 -2.50 0.00 0.00 175.30 172.58 1ulj s GLN 86 N 1.81 2.03 0.41 5.12 -1.52 0.60 -1.16 119.66 126.94 1ulj s GLN 86 Ca 0.63 -0.88 0.15 0.00 -1.95 0.00 0.00 55.36 53.30 1ulj s GLN 86 Cb -0.33 -2.36 0.87 0.00 -0.22 0.00 0.00 33.01 30.97 1ulj s GLN 86 CO 0.28 -1.18 1.90 0.87 -0.25 0.00 0.00 175.29 176.91 1ulj h LYS 87 N -0.34 0.00 -0.68 2.91 1.57 -1.94 -2.82 116.57 115.27 1ulj h LYS 87 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1ulj h LYS 87 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1ulj h LYS 87 CO 0.47 0.29 0.00 0.27 -0.57 0.00 0.00 179.45 179.91 1ulj n ASN 88 N -4.12 3.58 0.00 0.86 6.94 -1.26 -4.90 115.26 116.36 1ulj n ASN 88 Ca -0.02 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 1ulj n ASN 88 Cb 0.34 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1ulj n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ulj n GLY 89 N 0.59 2.95 3.72 4.83 0.00 -1.06 -5.01 105.19 111.20 1ulj n GLY 89 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ulj n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulj n GLU 90 N -2.00 1.71 -3.80 1.61 2.13 -1.26 -4.64 120.64 114.38 1ulj n GLU 90 Ca 0.00 0.62 -0.36 0.00 0.66 0.00 0.00 57.16 58.08 1ulj n GLU 90 Cb 0.00 -2.48 -0.12 0.00 0.27 0.00 0.00 31.44 29.10 1ulj n GLU 90 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ulj s ILE 91 N -1.28 4.26 0.17 6.31 1.01 -1.26 -0.29 121.20 130.11 1ulj s ILE 91 Ca 0.69 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.20 1ulj s ILE 91 Cb -0.44 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1ulj s ILE 91 CO 0.52 0.36 0.12 -0.13 0.00 0.00 0.00 174.94 175.80 1ulj s ARG 92 N 1.50 2.83 -0.06 2.79 0.52 -0.66 -4.75 118.95 121.12 1ulj s ARG 92 Ca 0.06 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.35 1ulj s ARG 92 Cb -0.15 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.75 1ulj s ARG 92 CO 0.03 0.48 0.01 0.08 0.02 0.00 0.00 175.30 175.92 1ulj s VAL 93 N -1.76 0.27 0.06 3.52 1.01 -1.26 -0.93 120.40 121.31 1ulj s VAL 93 Ca 0.30 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1ulj s VAL 93 Cb -0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1ulj s VAL 93 CO 0.23 0.23 -0.07 0.72 0.00 0.00 0.00 175.10 176.20 1ulj s PHE 94 N 1.80 0.72 0.22 5.22 -0.12 -0.60 -0.68 117.98 124.55 1ulj s PHE 94 Ca 0.02 -0.66 -0.32 0.00 -0.05 0.00 0.00 56.93 55.92 1ulj s PHE 94 Cb -0.13 -0.43 -0.13 0.00 -0.63 0.00 0.00 43.02 41.70 1ulj s PHE 94 CO -0.04 -0.12 1.47 -0.11 -0.05 0.00 0.00 175.22 176.37 1ulj n LEU 95 N 0.92 3.20 -2.98 -1.99 7.94 -0.52 -0.38 117.00 123.19 1ulj n LEU 95 Ca -0.19 1.13 -0.32 0.00 -1.11 0.00 0.00 56.01 55.51 1ulj n LEU 95 Cb 0.57 -1.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.02 1ulj n LEU 95 CO 0.24 -0.38 2.56 -3.20 -1.11 0.00 0.00 177.39 175.49 1ulj n ASN 96 N 2.51 7.58 -3.71 1.96 4.05 0.14 -4.71 115.26 123.08 1ulj n ASN 96 Ca 0.13 -2.78 -0.16 0.00 0.45 0.00 0.00 54.58 52.21 1ulj n ASN 96 Cb 0.31 -1.44 -0.16 0.00 1.23 0.00 0.00 39.78 39.72 1ulj n ASN 96 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1ulj s GLN 97 N 0.57 0.00 0.03 1.20 0.74 -1.26 -3.49 119.66 117.45 1ulj s GLN 97 Ca 0.64 0.39 -0.30 0.00 0.05 0.00 0.00 55.36 56.13 1ulj s GLN 97 Cb 0.24 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 1ulj s GLN 97 CO -0.08 -0.25 1.08 0.00 -0.55 0.00 0.00 175.29 175.49 1ulj n ARG 99 N 3.90 0.11 0.07 0.00 1.74 -1.26 -0.52 116.66 120.71 1ulj n ARG 99 Ca 0.07 0.10 -0.03 0.00 -0.77 0.00 0.00 57.85 57.22 1ulj n ARG 99 Cb 0.49 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1ulj n ARG 99 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ulj h HIS 100 N 0.00 -0.18 0.00 -1.55 2.76 -1.92 -3.43 115.15 110.84 1ulj h HIS 100 Ca 0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1ulj h HIS 100 Cb 0.33 0.06 -0.16 0.00 1.55 0.00 0.00 27.41 29.19 1ulj h HIS 100 CO 0.00 -0.11 -0.71 -2.13 -1.30 0.00 0.00 177.93 173.68 1ulj n ARG 101 N -2.67 0.00 -0.71 5.26 3.00 -1.24 -5.04 116.66 115.26 1ulj n ARG 101 Ca -0.02 -1.38 0.00 0.00 -0.00 0.00 0.00 57.85 56.44 1ulj n ARG 101 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 32.46 32.25 1ulj n ARG 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ulj n GLY 102 N 0.20 0.75 3.77 5.14 0.00 0.32 -5.01 105.19 110.36 1ulj n GLY 102 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ulj n GLY 102 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ulj s MET 103 N -0.29 3.80 -0.06 1.61 0.00 -1.26 -4.39 119.30 118.71 1ulj s MET 103 Ca 0.00 2.31 -0.30 0.00 0.00 0.00 0.00 55.69 57.71 1ulj s MET 103 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 34.83 32.08 1ulj s MET 103 CO 0.00 -0.69 1.66 0.50 0.00 0.00 0.00 175.02 176.50 1ulj s ARG 104 N -2.37 4.16 0.23 4.11 3.52 -1.26 -0.90 118.95 126.44 1ulj s ARG 104 Ca 0.59 2.18 -0.07 0.00 -0.13 0.00 0.00 55.73 58.30 1ulj s ARG 104 Cb -0.41 -3.99 0.21 0.00 -1.56 0.00 0.00 34.95 29.19 1ulj s ARG 104 CO 0.53 -0.87 1.87 0.82 -0.81 0.00 0.00 175.30 176.84 1ulj h ILE 105 N 5.61 1.25 -3.32 4.11 2.04 -1.90 -3.42 117.51 121.88 1ulj h ILE 105 Ca -0.39 -0.57 -0.37 0.00 1.00 0.00 0.00 64.86 64.52 1ulj h ILE 105 Cb 1.18 -0.01 -0.38 0.00 -0.74 0.00 0.00 36.82 36.87 1ulj h ILE 105 CO 0.96 0.27 -0.74 0.00 0.00 0.00 0.00 178.15 178.63 1ulj n ARG 107 N 5.15 1.93 -2.80 0.00 1.74 -1.26 -4.92 116.66 116.50 1ulj n ARG 107 Ca -0.06 -1.39 -0.30 0.00 -0.77 0.00 0.00 57.85 55.33 1ulj n ARG 107 Cb 0.50 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1ulj n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ulj s ALA 108 N -2.03 3.35 -0.17 7.54 0.00 -1.26 -4.97 121.76 124.22 1ulj s ALA 108 Ca 0.33 -0.25 0.27 0.00 0.00 0.00 0.00 51.96 52.31 1ulj s ALA 108 Cb 0.20 -2.69 0.77 0.00 0.00 0.00 0.00 23.12 21.40 1ulj s ALA 108 CO 0.33 -0.08 1.76 -0.44 0.00 0.00 0.00 175.76 177.34 1ulj h ASP 109 N 1.07 0.00 0.00 0.00 3.45 -1.96 -3.43 116.42 115.55 1ulj h ASP 109 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1ulj h ASP 109 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1ulj h ASP 109 CO 0.63 0.04 0.00 0.61 -1.57 0.00 0.00 179.24 178.95 1ulj n GLY 110 N 0.62 1.97 0.00 2.75 0.00 -1.26 -1.89 105.19 107.38 1ulj n GLY 110 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ulj n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulj n GLY 111 N -0.68 -0.60 3.05 -0.02 0.00 -0.81 -4.99 105.19 101.14 1ulj n GLY 111 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 1ulj n GLY 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ulj s ASN 112 N -4.00 2.00 0.06 1.61 3.84 -1.26 -1.53 114.94 115.66 1ulj s ASN 112 Ca 0.00 -0.34 0.01 0.00 0.21 0.00 0.00 52.86 52.73 1ulj s ASN 112 Cb 0.00 -0.92 -0.03 0.00 -0.55 0.00 0.00 41.25 39.74 1ulj s ASN 112 CO 0.00 0.05 -0.05 0.00 -2.79 0.00 0.00 177.10 174.31 1ulj s ALA 113 N 0.66 0.58 -0.40 1.71 0.00 -0.35 -4.97 121.76 119.00 1ulj s ALA 113 Ca -0.14 -1.04 0.22 0.00 0.00 0.00 0.00 51.96 50.99 1ulj s ALA 113 Cb -0.16 0.17 -0.21 0.00 0.00 0.00 0.00 23.12 22.91 1ulj s ALA 113 CO 0.04 -0.22 0.73 1.63 0.00 0.00 0.00 175.76 177.94 1ulj n LYS 114 N 0.62 0.42 -3.84 0.00 5.02 -1.26 -4.44 118.16 114.68 1ulj n LYS 114 Ca -0.17 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 55.95 1ulj n LYS 114 Cb 0.58 -1.55 -0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1ulj n LYS 114 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ulj s SER 115 N -4.07 -0.15 -0.10 4.39 1.04 -1.26 -4.25 113.70 109.29 1ulj s SER 115 Ca -0.01 -0.81 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1ulj s SER 115 Cb 0.14 0.77 0.03 0.00 0.10 0.00 0.00 66.02 67.06 1ulj s SER 115 CO 0.87 -1.46 -0.00 -0.36 0.98 0.00 0.00 173.24 173.27 1ulj s PHE 116 N -3.25 0.85 -0.17 5.02 0.40 -0.16 -4.93 117.98 115.73 1ulj s PHE 116 Ca 0.13 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1ulj s PHE 116 Cb -0.05 -0.90 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1ulj s PHE 116 CO 0.09 -0.40 -0.06 0.99 0.70 0.00 0.00 175.22 176.53 1ulj s THR 117 N 1.92 3.53 0.21 0.64 2.01 -1.26 -0.99 115.64 121.70 1ulj s THR 117 Ca 0.04 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 1ulj s THR 117 Cb -0.13 -2.55 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 1ulj s THR 117 CO -0.06 0.48 1.51 0.00 -0.69 0.00 0.00 174.62 175.86 1ulj n SER 119 N 3.08 0.28 -0.01 0.00 3.41 -1.26 -2.22 113.62 116.89 1ulj n SER 119 Ca 0.10 -0.01 -0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ulj n SER 119 Cb 0.39 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1ulj n SER 119 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1ulj h TYR 120 N 0.13 -0.01 0.00 7.33 -0.00 -1.95 -3.43 116.97 119.04 1ulj h TYR 120 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ulj h TYR 120 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.20 1ulj h TYR 120 CO 0.00 -0.01 -0.04 0.72 -0.00 0.00 0.00 178.16 178.83 1ulj n HIS 121 N -3.13 0.00 -1.54 -3.82 8.25 -1.26 -5.04 115.22 108.68 1ulj n HIS 121 Ca -0.00 -0.52 -0.02 0.00 -0.26 0.00 0.00 57.72 56.92 1ulj n HIS 121 Cb 0.01 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1ulj n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ulj n GLY 122 N -0.64 0.42 3.71 -1.41 0.00 -0.94 -4.65 105.19 101.68 1ulj n GLY 122 Ca 0.04 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1ulj n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulj s TRP 123 N -2.10 3.12 -0.10 1.61 0.52 -1.26 -4.43 118.94 116.30 1ulj s TRP 123 Ca 0.00 0.78 -0.00 0.00 0.02 0.00 0.00 56.10 56.90 1ulj s TRP 123 Cb 0.00 -3.79 -0.03 0.00 -1.15 0.00 0.00 33.47 28.50 1ulj s TRP 123 CO 0.00 -2.88 -0.08 0.00 0.02 0.00 0.00 176.95 174.01 1ulj s ALA 124 N 1.23 2.88 0.02 0.98 0.00 -0.85 -1.69 121.76 124.34 1ulj s ALA 124 Ca 0.67 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1ulj s ALA 124 Cb -0.40 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1ulj s ALA 124 CO 0.31 0.42 -0.23 0.71 0.00 0.00 0.00 175.76 176.97 1ulj s TYR 125 N -0.30 2.01 0.93 0.00 1.51 -0.16 -1.35 117.35 119.99 1ulj s TYR 125 Ca 0.04 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1ulj s TYR 125 Cb -0.13 -1.23 0.17 0.00 -0.11 0.00 0.00 41.96 40.66 1ulj s TYR 125 CO 0.02 0.06 1.25 0.16 -1.11 0.00 0.00 175.55 175.93 1ulj s ASP 126 N -0.97 3.36 0.16 2.29 3.84 -0.93 -0.99 116.67 123.43 1ulj s ASP 126 Ca 0.09 0.50 0.17 0.00 -0.00 0.00 0.00 52.55 53.31 1ulj s ASP 126 Cb -0.09 -0.73 0.78 0.00 -1.38 0.00 0.00 42.92 41.50 1ulj s ASP 126 CO 0.01 -2.60 1.54 0.35 -0.00 0.00 0.00 175.17 174.47 1ulj n THR 127 N -3.72 1.07 1.21 2.11 -2.24 -1.26 -1.54 114.28 109.91 1ulj n THR 127 Ca 0.12 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.39 1ulj n THR 127 Cb 0.60 -1.26 0.44 0.00 -2.10 0.00 0.00 70.33 68.01 1ulj n THR 127 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ulj n GLY 128 N -0.42 -0.96 0.88 3.38 0.00 -1.26 -4.84 105.19 101.96 1ulj n GLY 128 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ulj n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulj n GLY 129 N 1.38 0.75 3.75 -0.02 0.00 -0.59 -4.93 105.19 105.53 1ulj n GLY 129 Ca 0.11 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1ulj n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ulj s ASN 130 N -2.27 7.29 -0.30 1.61 0.01 -1.26 -4.03 114.94 116.00 1ulj s ASN 130 Ca 0.00 1.54 -0.29 0.00 -0.71 0.00 0.00 52.86 53.40 1ulj s ASN 130 Cb 0.00 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1ulj s ASN 130 CO 0.00 0.07 1.50 -0.22 -1.51 0.00 0.00 177.10 176.94 1ulj s LEU 131 N -0.38 3.78 -0.05 0.60 2.96 -1.26 -2.19 118.68 122.14 1ulj s LEU 131 Ca 0.38 1.29 0.18 0.00 -0.22 0.00 0.00 54.13 55.77 1ulj s LEU 131 Cb -0.22 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.67 1ulj s LEU 131 CO 0.25 -1.29 0.34 1.33 -1.32 0.00 0.00 176.35 175.65 1ulj n VAL 132 N 6.60 0.23 -3.50 1.68 0.24 -0.46 -4.60 118.33 118.52 1ulj n VAL 132 Ca 0.18 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1ulj n VAL 132 Cb 0.46 -0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1ulj n VAL 132 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ulj s SER 133 N -4.31 -0.48 -0.04 -1.34 1.04 -1.19 -5.04 113.70 102.35 1ulj s SER 133 Ca -0.07 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 1ulj s SER 133 Cb 0.10 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1ulj s SER 133 CO 0.75 -0.88 0.04 -0.69 0.98 0.00 0.00 173.24 173.44 1ulj s VAL 134 N -3.40 -0.00 0.37 5.02 1.01 -1.26 -2.00 120.40 120.14 1ulj s VAL 134 Ca -0.00 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1ulj s VAL 134 Cb -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 36.38 36.08 1ulj s VAL 134 CO -0.10 0.15 1.14 -2.65 0.00 0.00 0.00 175.10 173.65 1ulj n PRO 135 N 4.76 1.68 -3.92 2.72 -0.02 -1.26 -2.40 135.00 136.56 1ulj n PRO 135 Ca -0.15 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 1ulj n PRO 135 Cb 0.50 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1ulj n PRO 135 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ulj n PHE 136 N -0.06 -2.15 -0.20 6.00 3.72 -1.26 -4.88 117.46 118.63 1ulj n PHE 136 Ca 0.08 0.88 -0.09 0.00 -0.05 0.00 0.00 57.45 58.26 1ulj n PHE 136 Cb 0.37 -3.92 0.02 0.00 -0.94 0.00 0.00 39.48 35.01 1ulj n PHE 136 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1ulj h GLU 137 N -1.98 0.98 -0.30 -1.08 4.81 -1.85 -2.35 114.58 112.81 1ulj h GLU 137 Ca -0.59 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.20 1ulj h GLU 137 Cb 1.37 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ulj h GLU 137 CO 0.67 0.98 -0.32 0.93 -0.73 0.00 0.00 179.01 180.54 1ulj h GLU 138 N 0.87 0.74 -0.00 1.92 5.08 -1.88 0.23 114.58 121.54 1ulj h GLU 138 Ca 0.16 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ulj h GLU 138 Cb 0.53 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ulj h GLU 138 CO 0.03 1.02 -0.23 0.00 -1.00 0.00 0.00 179.01 178.83 1ulj n GLN 139 N -4.22 0.07 0.00 2.33 0.00 -1.22 -4.32 117.38 110.02 1ulj n GLN 139 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 57.00 56.94 1ulj n GLN 139 Cb 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1ulj n GLN 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ulj n ALA 140 N -1.44 0.49 -2.69 2.61 0.00 -0.89 -4.92 120.51 113.68 1ulj n ALA 140 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 1ulj n ALA 140 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.85 1ulj n ALA 140 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ulj n PHE 141 N -0.16 -0.18 -0.08 0.00 3.01 0.80 -5.01 117.46 115.83 1ulj n PHE 141 Ca 0.00 -2.40 -0.06 0.00 1.01 0.00 0.00 57.45 55.99 1ulj n PHE 141 Cb 0.06 0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1ulj n PHE 141 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ulj h PRO 142 N 2.54 0.06 -0.87 -1.08 0.13 -1.74 -2.59 132.00 128.45 1ulj h PRO 142 Ca -0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1ulj h PRO 142 Cb 1.23 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1ulj h PRO 142 CO 0.25 0.04 0.48 0.78 -0.23 0.00 0.00 178.00 179.32 1ulj h GLY 143 N 0.06 1.31 -5.14 1.56 0.00 -1.95 -3.47 103.07 95.44 1ulj h GLY 143 Ca 0.15 -0.59 -0.65 0.00 0.00 0.00 0.00 47.33 46.24 1ulj h GLY 143 CO -0.27 0.57 0.47 -0.10 0.00 0.00 0.00 176.54 177.21 1ulj n LEU 144 N -4.33 0.82 -4.37 3.11 0.00 -0.98 -4.95 117.00 106.30 1ulj n LEU 144 Ca 0.09 0.88 -0.45 0.00 0.00 0.00 0.00 56.01 56.54 1ulj n LEU 144 Cb 0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 43.42 42.81 1ulj n LEU 144 CO 0.39 -0.70 0.26 -0.13 0.00 0.00 0.00 177.39 177.20 1ulj s ARG 145 N 2.02 3.03 0.54 1.96 0.52 -1.26 -4.96 118.95 120.81 1ulj s ARG 145 Ca 0.77 -1.36 0.23 0.00 -0.52 0.00 0.00 55.73 54.86 1ulj s ARG 145 Cb -1.10 -4.22 1.49 0.00 0.52 0.00 0.00 34.95 31.63 1ulj s ARG 145 CO 0.59 -1.34 2.15 0.87 0.02 0.00 0.00 175.30 177.60 1ulj h LYS 146 N 9.00 0.00 0.00 3.54 6.56 -1.92 -2.37 116.57 131.38 1ulj h LYS 146 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1ulj h LYS 146 Cb 1.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 1ulj h LYS 146 CO 1.02 0.05 0.00 -0.85 -2.06 0.00 0.00 179.45 177.61 1ulj n GLU 147 N -4.06 0.23 0.02 3.15 0.00 -1.26 -2.55 120.64 116.16 1ulj n GLU 147 Ca -0.03 0.30 0.12 0.00 0.00 0.00 0.00 57.16 57.55 1ulj n GLU 147 Cb 0.14 -1.83 0.13 0.00 0.00 0.00 0.00 31.44 29.88 1ulj n GLU 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ulj n ASP 148 N -2.24 0.62 -0.50 -1.84 8.00 -0.89 -4.54 116.55 115.16 1ulj n ASP 148 Ca 0.04 -0.29 0.06 0.00 0.71 0.00 0.00 54.79 55.32 1ulj n ASP 148 Cb 0.34 0.48 0.19 0.00 -0.02 0.00 0.00 41.12 42.11 1ulj n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1ulj n TRP 149 N -1.70 0.16 -2.91 1.24 7.02 -1.05 -5.00 117.44 115.18 1ulj n TRP 149 Ca 0.04 -1.32 -0.26 0.00 -1.02 0.00 0.00 57.50 54.95 1ulj n TRP 149 Cb 0.38 -0.25 -0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1ulj n TRP 149 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1ulj s GLY 150 N -2.99 1.45 0.54 6.99 0.00 -1.25 -4.61 107.32 107.45 1ulj s GLY 150 Ca 0.37 -0.71 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 1ulj s GLY 150 CO -0.02 -0.57 1.35 2.56 0.00 0.00 0.00 173.10 176.42 1ulj s PRO 151 N -4.59 3.20 0.33 2.90 0.04 -1.26 -4.91 135.00 130.71 1ulj s PRO 151 Ca 0.45 2.22 -0.27 0.00 0.04 0.00 0.00 61.00 63.44 1ulj s PRO 151 Cb -0.10 -2.29 -0.13 0.00 0.04 0.00 0.00 34.50 32.02 1ulj s PRO 151 CO 0.41 -1.14 1.10 -0.11 0.04 0.00 0.00 177.00 177.31 1ulj n LEU 152 N -0.95 2.52 -4.57 -3.56 7.94 -1.26 -4.66 117.00 112.46 1ulj n LEU 152 Ca 0.10 1.17 -0.34 0.00 -1.11 0.00 0.00 56.01 55.83 1ulj n LEU 152 Cb 0.45 -1.37 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 1ulj n LEU 152 CO 0.53 -1.10 -0.36 -1.10 -1.11 0.00 0.00 177.39 174.25 1ulj s GLN 153 N -1.74 3.02 0.10 1.96 -1.52 -1.26 -1.44 119.66 118.77 1ulj s GLN 153 Ca 0.58 -0.52 -0.01 0.00 -1.95 0.00 0.00 55.36 53.46 1ulj s GLN 153 Cb -0.63 -2.70 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1ulj s GLN 153 CO 0.60 0.56 0.27 0.00 -0.25 0.00 0.00 175.29 176.48 1ulj s ALA 154 N -0.52 3.94 0.12 6.09 0.00 0.15 -4.87 121.76 126.66 1ulj s ALA 154 Ca 0.08 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1ulj s ALA 154 Cb -0.12 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 1ulj s ALA 154 CO 0.02 0.73 1.37 1.03 0.00 0.00 0.00 175.76 178.91 1ulj s ARG 155 N -2.69 4.33 -0.15 0.00 0.52 -0.32 -4.45 118.95 116.20 1ulj s ARG 155 Ca 0.37 2.06 -0.01 0.00 -0.52 0.00 0.00 55.73 57.63 1ulj s ARG 155 Cb -0.12 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 1ulj s ARG 155 CO 0.27 -0.41 -0.11 0.08 0.02 0.00 0.00 175.30 175.15 1ulj s VAL 156 N 0.98 3.15 0.07 3.52 1.01 -1.26 -1.52 120.40 126.35 1ulj s VAL 156 Ca 0.63 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ulj s VAL 156 Cb -0.37 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1ulj s VAL 156 CO 0.31 0.51 -0.07 -1.61 0.00 0.00 0.00 175.10 174.24 1ulj s GLU 157 N 0.52 0.69 0.35 2.72 2.02 -0.97 -5.03 118.70 119.00 1ulj s GLU 157 Ca -0.08 -1.09 0.08 0.00 0.02 0.00 0.00 54.97 53.91 1ulj s GLU 157 Cb -0.15 -0.20 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 1ulj s GLU 157 CO 0.04 0.00 0.11 0.95 0.02 0.00 0.00 175.26 176.38 1ulj s THR 158 N -2.72 2.83 -0.22 3.63 -4.23 -1.26 -1.62 115.64 112.05 1ulj s THR 158 Ca 0.02 -1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1ulj s THR 158 Cb -0.01 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 71.00 1ulj s THR 158 CO -0.03 -0.17 0.21 -0.47 -0.54 0.00 0.00 174.62 173.62 1ulj s TYR 159 N -2.47 -0.19 -1.67 3.99 5.04 -0.06 -4.93 117.35 117.06 1ulj s TYR 159 Ca 0.37 0.00 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 1ulj s TYR 159 Cb -0.01 -0.47 0.12 0.00 0.35 0.00 0.00 41.96 41.95 1ulj s TYR 159 CO 0.22 -0.65 0.47 1.63 -1.34 0.00 0.00 175.55 175.87 1ulj n LYS 160 N 5.31 -1.86 0.00 4.97 5.02 -1.26 -1.33 118.16 129.00 1ulj n LYS 160 Ca -0.05 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1ulj n LYS 160 Cb 0.48 -4.50 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 1ulj n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ulj n GLY 161 N -1.70 2.74 3.73 0.72 0.00 -1.26 -4.63 105.19 104.80 1ulj n GLY 161 Ca -0.08 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1ulj n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ulj s LEU 162 N 0.00 4.50 -0.20 0.99 1.43 -0.44 -1.18 118.68 123.78 1ulj s LEU 162 Ca 0.00 1.97 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 1ulj s LEU 162 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1ulj s LEU 162 CO 0.00 -0.14 0.13 -0.63 0.23 0.00 0.00 176.35 175.94 1ulj s ILE 163 N -0.19 5.38 0.13 -0.59 1.01 0.46 -0.88 121.20 126.51 1ulj s ILE 163 Ca 0.48 0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.39 1ulj s ILE 163 Cb -0.27 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1ulj s ILE 163 CO 0.33 0.44 -0.19 -0.36 0.00 0.00 0.00 174.94 175.15 1ulj s PHE 164 N 0.37 1.78 0.18 3.97 0.40 -0.64 0.52 117.98 124.56 1ulj s PHE 164 Ca 0.08 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1ulj s PHE 164 Cb -0.11 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1ulj s PHE 164 CO -0.02 0.25 -0.04 0.00 0.70 0.00 0.00 175.22 176.11 1ulj s ALA 165 N -1.57 1.54 -0.29 5.36 0.00 0.04 -2.29 121.76 124.55 1ulj s ALA 165 Ca 0.10 -1.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 1ulj s ALA 165 Cb -0.08 0.31 0.13 0.00 0.00 0.00 0.00 23.12 23.48 1ulj s ALA 165 CO 0.05 -0.20 0.83 1.21 0.00 0.00 0.00 175.76 177.65 1ulj s ASN 166 N -3.21 -0.78 0.45 0.00 3.84 -0.57 -0.96 114.94 113.70 1ulj s ASN 166 Ca 0.22 1.16 0.25 0.00 0.21 0.00 0.00 52.86 54.70 1ulj s ASN 166 Cb 0.04 1.63 0.91 0.00 -0.55 0.00 0.00 41.25 43.28 1ulj s ASN 166 CO 0.04 -0.17 1.82 -0.50 -2.79 0.00 0.00 177.10 175.50 1ulj h TRP 167 N 7.11 0.00 -3.69 0.43 4.06 -1.81 -0.83 115.95 121.23 1ulj h TRP 167 Ca -0.23 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.07 1ulj h TRP 167 Cb 1.16 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.15 1ulj h TRP 167 CO 0.13 0.20 -0.28 0.34 -3.56 0.00 0.00 178.44 175.27 1ulj s ASP 168 N -6.14 6.19 0.55 -3.49 -1.08 -1.26 -4.71 116.67 106.73 1ulj s ASP 168 Ca 0.01 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.22 1ulj s ASP 168 Cb 0.10 -2.20 1.62 0.00 -1.46 0.00 0.00 42.92 40.97 1ulj s ASP 168 CO 0.63 -0.30 2.15 0.00 0.52 0.00 0.00 175.17 178.17 1ulj h ALA 169 N 8.40 1.38 -0.01 3.66 0.00 -1.96 -2.70 119.26 128.03 1ulj h ALA 169 Ca -0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ulj h ALA 169 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ulj h ALA 169 CO 0.68 0.09 -0.21 -0.25 0.00 0.00 0.00 179.25 179.56 1ulj n ASP 170 N -3.72 1.33 -4.76 0.00 10.43 -1.26 -4.92 116.55 113.64 1ulj n ASP 170 Ca -0.02 -1.15 -0.34 0.00 2.57 0.00 0.00 54.79 55.85 1ulj n ASP 170 Cb 0.17 0.13 0.03 0.00 1.84 0.00 0.00 41.12 43.30 1ulj n ASP 170 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ulj s ALA 171 N -2.36 2.53 1.00 2.24 0.00 -1.02 -4.86 121.76 119.30 1ulj s ALA 171 Ca 0.27 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1ulj s ALA 171 Cb 0.20 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 20.14 1ulj s ALA 171 CO 0.47 -1.12 1.11 -1.25 0.00 0.00 0.00 175.76 174.97 1ulj s PRO 172 N -3.63 0.33 0.92 0.00 0.04 -1.26 -4.99 135.00 126.41 1ulj s PRO 172 Ca 0.72 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1ulj s PRO 172 Cb -0.24 -1.66 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1ulj s PRO 172 CO 0.35 -3.04 1.10 0.16 0.04 0.00 0.00 177.00 175.61 1ulj s ASP 173 N -2.59 3.31 0.24 6.66 3.84 -1.26 -4.76 116.67 122.10 1ulj s ASP 173 Ca 0.67 1.26 -0.07 0.00 -0.00 0.00 0.00 52.55 54.42 1ulj s ASP 173 Cb -0.24 -1.93 0.27 0.00 -1.38 0.00 0.00 42.92 39.64 1ulj s ASP 173 CO 0.60 -2.71 1.88 0.25 -0.00 0.00 0.00 175.17 175.19 1ulj h LEU 174 N -1.60 0.95 -0.70 2.11 5.85 -1.95 -1.13 115.31 118.84 1ulj h LEU 174 Ca -0.51 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1ulj h LEU 174 Cb 1.31 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1ulj h LEU 174 CO 0.58 0.66 0.43 -0.78 -0.34 0.00 0.00 178.44 178.99 1ulj h ASP 175 N 1.11 0.71 -0.07 1.25 3.58 -1.91 -0.06 116.42 121.03 1ulj h ASP 175 Ca 0.35 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1ulj h ASP 175 Cb -0.01 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 1ulj h ASP 175 CO -0.11 0.49 -0.05 0.74 -2.88 0.00 0.00 179.24 177.42 1ulj h THR 176 N 0.84 1.35 -0.47 2.25 2.02 -1.75 -1.39 112.91 115.77 1ulj h THR 176 Ca 0.28 -1.14 0.10 0.00 0.77 0.00 0.00 66.41 66.42 1ulj h THR 176 Cb 0.04 1.96 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 1ulj h THR 176 CO -0.11 0.31 -0.13 0.22 0.37 0.00 0.00 175.52 176.18 1ulj h TYR 177 N -0.25 -0.29 -0.56 3.16 3.20 -0.98 -1.11 116.97 120.14 1ulj h TYR 177 Ca 0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1ulj h TYR 177 Cb 0.53 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1ulj h TYR 177 CO 0.08 -0.22 0.07 -0.07 -1.64 0.00 0.00 178.16 176.38 1ulj h LEU 178 N -0.02 0.85 0.00 2.82 3.38 -1.04 -3.47 115.31 117.84 1ulj h LEU 178 Ca 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ulj h LEU 178 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ulj h LEU 178 CO -0.50 0.88 0.00 0.61 0.09 0.00 0.00 178.44 179.52 1ulj n GLY 179 N -0.69 3.70 0.01 0.83 0.00 -0.42 -1.52 105.19 107.10 1ulj n GLY 179 Ca 0.04 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1ulj n GLY 179 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ulj n GLU 180 N 14.00 0.03 0.30 1.61 -0.00 -1.26 -3.19 120.64 132.13 1ulj n GLU 180 Ca 0.00 0.02 0.18 0.00 -0.00 0.00 0.00 57.16 57.35 1ulj n GLU 180 Cb 0.00 -1.53 0.96 0.00 -0.00 0.00 0.00 31.44 30.87 1ulj n GLU 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ulj h ALA 181 N 2.95 1.19 -0.89 -1.84 0.00 -1.65 -2.67 119.26 116.35 1ulj h ALA 181 Ca 0.00 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1ulj h ALA 181 Cb 0.53 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.20 1ulj h ALA 181 CO 0.00 0.04 0.42 0.87 0.00 0.00 0.00 179.25 180.58 1ulj h LYS 182 N 0.00 0.47 -0.69 0.00 1.57 -1.65 -0.13 116.57 116.14 1ulj h LYS 182 Ca -0.00 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 1ulj h LYS 182 Cb 0.15 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.24 1ulj h LYS 182 CO 0.00 0.31 0.03 0.35 -0.57 0.00 0.00 179.45 179.58 1ulj h PHE 183 N 0.48 0.01 0.01 -1.35 3.04 -1.74 -1.91 116.94 115.48 1ulj h PHE 183 Ca 0.54 0.05 -0.20 0.00 3.98 0.00 0.00 57.97 62.34 1ulj h PHE 183 Cb 0.95 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 1ulj h PHE 183 CO -0.11 -0.18 -0.93 1.88 -2.02 0.00 0.00 178.31 176.94 1ulj h TYR 184 N 0.14 0.05 -0.08 0.41 0.05 -1.22 -3.20 116.97 113.11 1ulj h TYR 184 Ca 0.37 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 59.06 1ulj h TYR 184 Cb 0.64 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1ulj h TYR 184 CO -0.37 0.94 -0.22 0.52 -1.05 0.00 0.00 178.16 177.98 1ulj h MET 185 N 0.01 0.14 0.00 4.88 2.86 -0.88 -2.98 114.93 118.96 1ulj h MET 185 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ulj h MET 185 Cb 1.63 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.28 1ulj h MET 185 CO 0.12 0.37 0.00 -0.44 1.06 0.00 0.00 176.91 178.02 1ulj h ASP 186 N 0.13 0.00 0.43 1.22 3.45 -1.35 -1.71 116.42 118.59 1ulj h ASP 186 Ca 0.02 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 1ulj h ASP 186 Cb 0.47 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1ulj h ASP 186 CO 0.03 0.00 -0.03 0.45 -1.57 0.00 0.00 179.24 178.12 1ulj h HIS 187 N 0.00 0.00 0.00 4.55 3.86 -1.67 -2.43 115.15 119.46 1ulj h HIS 187 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1ulj h HIS 187 Cb 0.37 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1ulj h HIS 187 CO 0.00 0.03 -1.98 -0.12 0.86 0.00 0.00 177.93 176.72 1ulj n MET 188 N -3.23 1.10 0.00 2.45 0.00 -0.75 -4.77 117.12 111.92 1ulj n MET 188 Ca -0.01 0.05 0.11 0.00 -0.00 0.00 0.00 57.70 57.84 1ulj n MET 188 Cb 0.19 -1.35 0.01 0.00 0.00 0.00 0.00 33.22 32.07 1ulj n MET 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1ulj n LEU 189 N -2.76 2.10 -1.97 -0.89 4.77 -0.72 -4.59 117.00 112.95 1ulj n LEU 189 Ca -0.27 -0.80 0.01 0.00 -0.03 0.00 0.00 56.01 54.93 1ulj n LEU 189 Cb 0.89 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.01 1ulj n LEU 189 CO 0.23 0.39 0.09 -0.67 -1.33 0.00 0.00 177.39 176.10 1ulj n ASP 190 N 0.17 0.89 -0.01 -1.43 4.64 -0.92 -4.54 116.55 115.36 1ulj n ASP 190 Ca 0.09 -2.02 0.14 0.00 -1.38 0.00 0.00 54.79 51.63 1ulj n ASP 190 Cb 0.46 -0.26 0.68 0.00 -1.04 0.00 0.00 41.12 40.97 1ulj n ASP 190 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1ulj n ARG 191 N -0.02 0.28 -3.59 -0.67 1.74 -1.26 -4.79 116.66 108.35 1ulj n ARG 191 Ca 0.02 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 1ulj n ARG 191 Cb 0.98 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.88 1ulj n ARG 191 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1ulj s THR 192 N -2.74 0.05 0.11 0.55 -1.32 -1.26 -3.59 115.64 107.44 1ulj s THR 192 Ca 0.23 -0.40 0.34 0.00 -1.21 0.00 0.00 61.69 60.65 1ulj s THR 192 Cb 0.20 -1.08 0.39 0.00 -1.51 0.00 0.00 72.50 70.50 1ulj s THR 192 CO 0.50 -0.22 1.99 1.05 -2.21 0.00 0.00 174.62 175.72 1ulj h GLU 193 N 2.45 0.00 0.00 7.08 9.09 -1.98 -2.97 114.58 128.25 1ulj h GLU 193 Ca -0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.06 1ulj h GLU 193 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1ulj h GLU 193 CO 0.44 0.01 -0.08 0.00 0.05 0.00 0.00 179.01 179.42 1ulj h ALA 194 N 1.99 0.99 -0.03 1.06 0.00 -1.99 -3.50 119.26 117.78 1ulj h ALA 194 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ulj h ALA 194 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ulj h ALA 194 CO 0.00 0.10 -0.01 0.41 0.00 0.00 0.00 179.25 179.75 1ulj n GLY 195 N 0.39 -1.51 3.95 0.00 0.00 -1.13 -4.71 105.19 102.18 1ulj n GLY 195 Ca 0.01 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.28 1ulj n GLY 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulj s THR 196 N -1.36 5.15 0.10 2.61 -4.23 -1.26 -0.69 115.64 115.96 1ulj s THR 196 Ca 0.00 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1ulj s THR 196 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1ulj s THR 196 CO 0.00 -0.47 -0.15 -1.83 -0.54 0.00 0.00 174.62 171.62 1ulj s GLU 197 N -4.15 0.97 -0.10 3.99 -1.05 0.04 -4.72 118.70 113.68 1ulj s GLU 197 Ca 0.38 -1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 53.84 1ulj s GLU 197 Cb -0.10 -0.98 -0.03 0.00 -0.44 0.00 0.00 34.13 32.59 1ulj s GLU 197 CO 0.34 0.21 0.76 0.00 0.95 0.00 0.00 175.26 177.52 1ulj s ALA 198 N -1.61 3.38 0.20 -0.84 0.00 -1.26 -1.57 121.76 120.06 1ulj s ALA 198 Ca 0.04 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1ulj s ALA 198 Cb -0.08 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 1ulj s ALA 198 CO 0.03 -0.30 1.54 0.42 0.00 0.00 0.00 175.76 177.45 1ulj s ILE 199 N 1.27 2.57 0.42 0.00 1.01 -0.62 -4.82 121.20 121.02 1ulj s ILE 199 Ca 0.39 0.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.20 1ulj s ILE 199 Cb -0.18 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1ulj s ILE 199 CO 0.17 0.05 1.44 -2.84 0.00 0.00 0.00 174.94 173.76 1ulj s PRO 200 N 0.56 3.88 0.00 2.79 0.02 -1.26 -4.63 135.00 136.36 1ulj s PRO 200 Ca 0.66 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1ulj s PRO 200 Cb -0.44 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1ulj s PRO 200 CO 0.36 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1ulj n GLY 201 N 0.54 3.19 3.00 0.52 0.00 -1.26 -5.04 105.19 106.13 1ulj n GLY 201 Ca 0.03 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 1ulj n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ulj s ILE 202 N -0.03 1.41 -0.17 -0.61 1.01 -1.26 -4.68 121.20 116.87 1ulj s ILE 202 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1ulj s ILE 202 Cb 0.00 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1ulj s ILE 202 CO 0.00 0.43 0.54 -1.58 0.00 0.00 0.00 174.94 174.33 1ulj s GLN 203 N 1.43 4.26 -0.08 2.79 0.74 -0.28 -4.89 119.66 123.62 1ulj s GLN 203 Ca 0.02 0.50 0.05 0.00 0.05 0.00 0.00 55.36 55.98 1ulj s GLN 203 Cb -0.13 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.45 1ulj s GLN 203 CO -0.08 -0.06 -0.24 0.15 -0.55 0.00 0.00 175.29 174.51 1ulj s LYS 204 N 1.34 2.81 0.20 1.67 1.02 -1.26 -0.89 119.74 124.63 1ulj s LYS 204 Ca 0.26 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.27 1ulj s LYS 204 Cb -0.16 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1ulj s LYS 204 CO 0.11 0.29 0.36 1.67 -0.92 0.00 0.00 175.35 176.85 1ulj s TRP 205 N 0.08 0.38 -0.18 3.18 -2.14 -0.86 -4.99 118.94 114.42 1ulj s TRP 205 Ca -0.11 -0.73 -0.03 0.00 2.66 0.00 0.00 56.10 57.88 1ulj s TRP 205 Cb -0.16 0.03 -0.02 0.00 -3.10 0.00 0.00 33.47 30.23 1ulj s TRP 205 CO 0.06 -0.82 -0.05 0.08 -2.66 0.00 0.00 176.95 173.56 1ulj s VAL 206 N -3.99 3.57 -0.21 -0.66 1.01 -1.26 -0.73 120.40 118.13 1ulj s VAL 206 Ca 0.19 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1ulj s VAL 206 Cb 0.02 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1ulj s VAL 206 CO 0.03 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 1ulj s ILE 207 N 0.87 1.80 -1.00 2.22 1.01 0.07 -5.01 121.20 121.16 1ulj s ILE 207 Ca -0.01 -1.12 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1ulj s ILE 207 Cb -0.15 -1.84 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 1ulj s ILE 207 CO 0.01 0.18 1.95 -2.65 0.00 0.00 0.00 174.94 174.44 1ulj n PRO 208 N 4.63 1.83 -3.88 2.79 -0.02 -1.26 -1.03 135.00 138.05 1ulj n PRO 208 Ca -0.15 -2.22 -0.09 0.00 -2.02 0.00 0.00 63.50 59.02 1ulj n PRO 208 Cb 0.46 -3.22 -0.05 0.00 -0.02 0.00 0.00 33.50 30.67 1ulj n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ulj s ASN 210 N -2.94 6.75 0.44 0.00 3.84 -1.22 -2.54 114.94 119.27 1ulj s ASN 210 Ca 0.15 1.93 0.14 0.00 0.21 0.00 0.00 52.86 55.29 1ulj s ASN 210 Cb 0.01 -2.57 0.98 0.00 -0.55 0.00 0.00 41.25 39.11 1ulj s ASN 210 CO 0.01 -0.49 1.98 4.11 -2.79 0.00 0.00 177.10 179.91 1ulj h TRP 211 N 2.25 0.01 -0.22 0.43 5.08 -1.84 -2.93 115.95 118.73 1ulj h TRP 211 Ca -0.49 -0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.41 1ulj h TRP 211 Cb 1.21 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1ulj h TRP 211 CO 0.59 0.20 -0.20 0.87 -1.28 0.00 0.00 178.44 178.62 1ulj h LYS 212 N 0.01 0.39 -0.99 0.12 1.57 -1.96 -1.07 116.57 114.64 1ulj h LYS 212 Ca 0.00 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ulj h LYS 212 Cb 0.34 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1ulj h LYS 212 CO 0.02 0.58 0.64 0.74 -0.57 0.00 0.00 179.45 180.86 1ulj h PHE 213 N 0.35 1.26 -0.01 -1.35 -1.00 -1.92 0.34 116.94 114.62 1ulj h PHE 213 Ca 0.06 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1ulj h PHE 213 Cb 0.55 -0.42 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1ulj h PHE 213 CO 0.01 0.80 -0.19 0.00 -1.61 0.00 0.00 178.31 177.33 1ulj h ALA 214 N 1.36 0.04 -0.25 2.45 0.00 -1.53 -2.09 119.26 119.24 1ulj h ALA 214 Ca 0.36 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ulj h ALA 214 Cb -0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1ulj h ALA 214 CO -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.16 1ulj h ALA 215 N 0.30 0.17 -0.91 0.00 0.00 -1.20 -2.55 119.26 115.08 1ulj h ALA 215 Ca -0.02 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ulj h ALA 215 Cb 0.91 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1ulj h ALA 215 CO 0.04 -0.46 0.59 1.49 0.00 0.00 0.00 179.25 180.91 1ulj h GLU 216 N 0.01 1.09 -0.13 0.00 4.81 -1.01 -2.50 114.58 116.85 1ulj h GLU 216 Ca 0.12 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1ulj h GLU 216 Cb 0.18 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ulj h GLU 216 CO -0.25 0.72 0.00 0.37 -0.73 0.00 0.00 179.01 179.12 1ulj h GLN 217 N 1.12 0.23 0.00 1.92 4.15 -0.95 -1.53 115.11 120.05 1ulj h GLN 217 Ca 0.36 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1ulj h GLN 217 Cb 0.05 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1ulj h GLN 217 CO -0.11 0.47 0.00 1.19 -1.93 0.00 0.00 178.83 178.44 1ulj n PHE 218 N -4.78 0.43 0.05 3.99 3.01 -1.10 -1.91 117.46 117.15 1ulj n PHE 218 Ca -0.06 0.15 -0.16 0.00 1.01 0.00 0.00 57.45 58.39 1ulj n PHE 218 Cb 0.21 -0.75 -0.14 0.00 -0.01 0.00 0.00 39.48 38.79 1ulj n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ulj n SER 220 N -3.42 0.00 -3.36 0.00 2.88 -0.63 -3.14 113.62 105.95 1ulj n SER 220 Ca -0.18 -0.18 -0.28 0.00 -1.33 0.00 0.00 58.87 56.90 1ulj n SER 220 Cb 1.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.44 1ulj n SER 220 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ulj n ASP 221 N 0.00 4.20 0.11 -3.46 -0.08 -0.80 -4.56 116.55 111.95 1ulj n ASP 221 Ca 0.00 -3.50 -0.02 0.00 -1.51 0.00 0.00 54.79 49.75 1ulj n ASP 221 Cb 0.04 -0.70 0.02 0.00 2.34 0.00 0.00 41.12 42.82 1ulj n ASP 221 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1ulj h MET 222 N 4.00 0.00 -0.97 -0.67 1.85 -1.82 -3.33 114.93 113.98 1ulj h MET 222 Ca 0.19 0.00 0.31 0.00 -0.61 0.00 0.00 59.70 59.59 1ulj h MET 222 Cb 0.61 0.00 -0.17 0.00 0.43 0.00 0.00 31.60 32.47 1ulj h MET 222 CO 0.88 0.74 0.23 -0.92 -0.40 0.00 0.00 176.91 177.44 1ulj h TYR 223 N 0.00 0.30 -0.07 1.39 3.20 -1.83 -0.38 116.97 119.57 1ulj h TYR 223 Ca -0.01 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 1ulj h TYR 223 Cb 1.47 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1ulj h TYR 223 CO 0.00 -0.40 -0.49 1.12 -1.64 0.00 0.00 178.16 176.75 1ulj h HIS 224 N 0.05 0.23 -0.32 -3.82 2.07 -1.97 -2.47 115.15 108.93 1ulj h HIS 224 Ca 0.67 -0.07 -0.13 0.00 -2.85 0.00 0.00 60.37 57.99 1ulj h HIS 224 Cb 1.52 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.45 1ulj h HIS 224 CO -0.31 0.65 -0.30 0.00 -3.07 0.00 0.00 177.93 174.90 1ulj h ALA 225 N 1.34 0.46 -0.27 6.11 0.00 -1.31 -3.09 119.26 122.50 1ulj h ALA 225 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ulj h ALA 225 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ulj h ALA 225 CO 0.07 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1ulj n GLY 226 N 0.14 0.88 0.00 0.00 0.00 -0.54 -4.65 105.19 101.02 1ulj n GLY 226 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ulj n GLY 226 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulj n THR 227 N 0.32 0.00 -0.01 2.61 -2.24 -0.94 -5.03 114.28 108.99 1ulj n THR 227 Ca 0.10 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1ulj n THR 227 Cb 0.36 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 1ulj n THR 227 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ulj n THR 228 N 0.00 0.13 -0.29 4.28 -2.24 -1.25 -4.63 114.28 110.28 1ulj n THR 228 Ca 0.00 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1ulj n THR 228 Cb 0.00 -0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.37 1ulj n THR 228 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ulj h SER 229 N 0.00 0.66 -0.09 3.42 0.02 -1.87 -3.20 113.55 112.49 1ulj h SER 229 Ca -0.05 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1ulj h SER 229 Cb 0.64 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1ulj h SER 229 CO 0.00 0.37 -0.11 1.41 -1.14 0.00 0.00 176.83 177.36 1ulj n HIS 230 N -4.75 0.30 -0.23 3.45 8.25 -1.26 -4.68 115.22 116.29 1ulj n HIS 230 Ca 0.13 -1.15 0.01 0.00 -0.26 0.00 0.00 57.72 56.45 1ulj n HIS 230 Cb 0.28 -0.24 0.13 0.00 1.12 0.00 0.00 29.99 31.28 1ulj n HIS 230 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ulj h LEU 231 N 0.66 0.38 -0.70 2.41 3.38 -1.81 -2.48 115.31 117.14 1ulj h LEU 231 Ca 0.03 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1ulj h LEU 231 Cb 1.16 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1ulj h LEU 231 CO 0.09 0.22 -0.16 0.77 0.09 0.00 0.00 178.44 179.44 1ulj h SER 232 N 0.53 0.83 0.54 -0.43 4.64 -1.86 -2.56 113.55 115.25 1ulj h SER 232 Ca 0.33 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1ulj h SER 232 Cb 0.37 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1ulj h SER 232 CO -0.28 0.99 -0.53 1.23 -0.87 0.00 0.00 176.83 177.37 1ulj h GLY 233 N 0.96 0.00 1.00 -0.77 0.00 -1.62 -2.39 103.07 100.25 1ulj h GLY 233 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1ulj h GLY 233 CO 0.05 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.35 1ulj h ILE 234 N 0.00 1.26 -0.44 2.60 2.04 -1.35 -3.09 117.51 118.54 1ulj h ILE 234 Ca -0.01 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1ulj h ILE 234 Cb 0.94 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1ulj h ILE 234 CO 0.07 0.38 0.09 -0.07 0.00 0.00 0.00 178.15 178.62 1ulj h LEU 235 N 0.68 0.61 -1.21 1.44 3.38 -1.25 -1.15 115.31 117.81 1ulj h LEU 235 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ulj h LEU 235 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ulj h LEU 235 CO 0.03 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1ulj n ALA 236 N -2.47 1.12 1.02 1.53 0.00 -0.92 -2.65 120.51 118.15 1ulj n ALA 236 Ca 0.03 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1ulj n ALA 236 Cb 0.21 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.37 1ulj n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulj n GLY 237 N -1.14 -0.73 3.58 0.00 0.00 -0.44 -5.11 105.19 101.36 1ulj n GLY 237 Ca -0.01 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1ulj n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ulj s LEU 238 N -2.82 3.42 0.00 0.99 1.43 -1.08 -4.62 118.68 116.00 1ulj s LEU 238 Ca 0.13 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1ulj s LEU 238 Cb 0.17 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1ulj s LEU 238 CO 0.74 -2.24 0.00 0.41 0.23 0.00 0.00 176.35 175.48 1ulj n THR 251 N 7.72 0.00 -3.40 5.49 -1.04 -1.26 -5.15 114.28 116.64 1ulj n THR 251 Ca 0.30 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.97 1ulj n THR 251 Cb 0.49 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 1ulj n THR 251 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ulj s GLU 252 N 0.00 3.87 0.00 -2.82 8.01 -1.26 -4.95 118.70 121.55 1ulj s GLU 252 Ca 0.00 0.36 0.00 0.00 0.01 0.00 0.00 54.97 55.34 1ulj s GLU 252 Cb 0.00 -2.78 0.00 0.00 -4.31 0.00 0.00 34.13 27.04 1ulj s GLU 252 CO 0.00 0.39 0.00 0.41 0.01 0.00 0.00 175.26 176.07 1ulj n GLY 253 N 0.29 -0.06 3.20 -1.39 0.00 -1.26 -1.64 105.19 104.33 1ulj n GLY 253 Ca -0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1ulj n GLY 253 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ulj s ILE 254 N -2.00 0.85 -0.03 -0.61 -4.36 -0.89 -2.66 121.20 111.49 1ulj s ILE 254 Ca 0.00 -1.98 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 1ulj s ILE 254 Cb 0.00 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 1ulj s ILE 254 CO 0.00 -0.79 -0.20 -1.58 0.24 0.00 0.00 174.94 172.61 1ulj s GLN 255 N -3.81 1.77 -0.12 0.37 0.74 -0.05 -1.85 119.66 116.71 1ulj s GLN 255 Ca 0.15 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.80 1ulj s GLN 255 Cb 0.04 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.49 1ulj s GLN 255 CO -0.02 0.37 0.08 -0.47 -0.55 0.00 0.00 175.29 174.71 1ulj s TYR 256 N -0.29 3.40 -0.13 1.67 6.14 0.33 -1.19 117.35 127.28 1ulj s TYR 256 Ca 0.03 0.35 -0.01 0.00 0.64 0.00 0.00 57.07 58.09 1ulj s TYR 256 Cb -0.09 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.40 1ulj s TYR 256 CO 0.01 0.56 -0.05 0.50 0.64 0.00 0.00 175.55 177.21 1ulj s ARG 257 N -0.74 1.25 0.58 4.97 3.52 -0.83 -1.93 118.95 125.76 1ulj s ARG 257 Ca 0.13 -0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 55.27 1ulj s ARG 257 Cb -0.12 -1.62 -0.06 0.00 -1.56 0.00 0.00 34.95 31.60 1ulj s ARG 257 CO 0.03 -0.35 0.92 0.00 -0.81 0.00 0.00 175.30 175.09 1ulj n ALA 258 N 4.97 0.04 0.09 6.12 0.00 -1.00 -2.12 120.51 128.61 1ulj n ALA 258 Ca -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1ulj n ALA 258 Cb 0.49 -2.08 0.25 0.00 0.00 0.00 0.00 19.45 18.12 1ulj n ALA 258 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ulj h THR 259 N 0.58 1.28 -2.66 0.00 2.02 -1.94 -3.44 112.91 108.75 1ulj h THR 259 Ca -0.48 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 65.24 1ulj h THR 259 Cb 1.36 1.56 -0.23 0.00 -1.74 0.00 0.00 68.15 69.10 1ulj h THR 259 CO 0.51 0.41 -0.17 0.86 0.37 0.00 0.00 175.52 177.50 1ulj s TRP 260 N -4.29 -0.45 0.00 3.16 -0.00 -1.26 -4.88 118.94 111.21 1ulj s TRP 260 Ca -0.05 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.09 1ulj s TRP 260 Cb 0.14 0.18 0.00 0.00 -0.00 0.00 0.00 33.47 33.78 1ulj s TRP 260 CO 0.77 -0.30 0.00 0.41 -0.00 0.00 0.00 176.95 177.83 1ulj n GLY 261 N 2.39 1.72 1.98 5.86 0.00 -1.26 -4.75 105.19 111.13 1ulj n GLY 261 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ulj n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulj n GLY 262 N -0.40 0.39 3.87 -0.02 0.00 -1.26 -4.59 105.19 103.18 1ulj n GLY 262 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1ulj n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ulj s HIS 263 N -2.00 3.56 0.07 1.61 3.76 -1.26 -4.29 115.29 116.74 1ulj s HIS 263 Ca 0.00 1.22 -0.23 0.00 -0.15 0.00 0.00 55.06 55.90 1ulj s HIS 263 Cb 0.00 -2.78 0.06 0.00 1.11 0.00 0.00 32.58 30.97 1ulj s HIS 263 CO 0.00 -0.78 0.56 0.20 -0.85 0.00 0.00 174.74 173.87 1ulj s GLY 264 N -4.22 -0.49 -0.17 -2.22 0.00 -0.75 -2.38 107.32 97.09 1ulj s GLY 264 Ca 0.55 0.64 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 1ulj s GLY 264 CO 0.53 0.33 0.66 -0.45 0.00 0.00 0.00 173.10 174.17 1ulj s SER 265 N -2.10 -0.67 0.11 1.64 0.15 -0.81 -1.52 113.70 110.49 1ulj s SER 265 Ca -0.04 1.09 0.04 0.00 0.70 0.00 0.00 55.95 57.74 1ulj s SER 265 Cb -0.00 1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1ulj s SER 265 CO -0.03 -0.37 -0.10 -0.83 1.20 0.00 0.00 173.24 173.11 1ulj s GLY 266 N -0.24 0.89 -0.12 9.45 0.00 -0.90 0.12 107.32 116.53 1ulj s GLY 266 Ca -0.04 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1ulj s GLY 266 CO 0.04 -1.37 0.83 -0.11 0.00 0.00 0.00 173.10 172.49 1ulj s PHE 267 N -2.80 -0.54 0.43 1.90 -0.71 -0.77 -1.72 117.98 113.76 1ulj s PHE 267 Ca 0.09 0.98 -0.17 0.00 -1.04 0.00 0.00 56.93 56.79 1ulj s PHE 267 Cb -0.01 0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 42.13 1ulj s PHE 267 CO -0.00 -0.46 0.89 0.71 -1.34 0.00 0.00 175.22 175.01 1ulj s TYR 268 N -0.97 3.38 -0.16 3.49 4.12 -0.97 -2.10 117.35 124.14 1ulj s TYR 268 Ca -0.06 1.42 0.01 0.00 0.02 0.00 0.00 57.07 58.46 1ulj s TYR 268 Cb -0.01 -2.72 0.00 0.00 -1.52 0.00 0.00 41.96 37.72 1ulj s TYR 268 CO 0.05 -0.14 -0.17 0.42 0.02 0.00 0.00 175.55 175.74 1ulj s ILE 269 N -2.28 2.49 -0.30 2.71 1.01 -0.65 -1.39 121.20 122.79 1ulj s ILE 269 Ca 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1ulj s ILE 269 Cb -0.10 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1ulj s ILE 269 CO 0.21 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1ulj n GLY 270 N 4.17 0.60 2.78 6.18 0.00 -0.28 -4.71 105.19 113.91 1ulj n GLY 270 Ca -0.19 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1ulj n GLY 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ulj s ASP 271 N -2.73 3.92 0.21 1.61 -1.08 -1.26 -4.98 116.67 112.36 1ulj s ASP 271 Ca 0.00 -3.43 -0.14 0.00 -0.52 0.00 0.00 52.55 48.47 1ulj s ASP 271 Cb 0.00 -1.31 0.24 0.00 -1.46 0.00 0.00 42.92 40.39 1ulj s ASP 271 CO 0.00 -0.14 1.62 -0.65 0.52 0.00 0.00 175.17 176.52 1ulj h PRO 272 N 5.76 -0.01 0.00 4.34 0.11 -1.94 -3.27 132.00 136.99 1ulj h PRO 272 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ulj h PRO 272 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1ulj h PRO 272 CO 0.61 -0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.69 1ulj n ASN 273 N -5.44 0.00 -0.08 -2.05 5.15 -1.26 -0.58 115.26 111.00 1ulj n ASN 273 Ca 0.08 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.93 1ulj n ASN 273 Cb 0.33 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.53 1ulj n ASN 273 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1ulj h LEU 274 N 0.00 0.58 -2.13 1.20 5.85 -2.00 -2.90 115.31 115.91 1ulj h LEU 274 Ca 0.00 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ulj h LEU 274 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1ulj h LEU 274 CO 0.00 0.90 -0.04 0.25 -0.34 0.00 0.00 178.44 179.21 1ulj h LEU 275 N 0.27 0.00 -0.40 2.25 5.85 -1.06 -1.81 115.31 120.41 1ulj h LEU 275 Ca 0.05 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 1ulj h LEU 275 Cb 0.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ulj h LEU 275 CO 0.05 0.04 -0.78 0.25 -0.34 0.00 0.00 178.44 177.66 1ulj h LEU 276 N 0.00 0.32 -0.79 2.25 6.46 -1.28 -2.05 115.31 120.22 1ulj h LEU 276 Ca -0.00 -0.23 -0.13 0.00 -0.12 0.00 0.00 57.88 57.40 1ulj h LEU 276 Cb 0.28 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1ulj h LEU 276 CO 0.01 0.98 -0.60 0.00 -0.62 0.00 0.00 178.44 178.21 1ulj h ALA 277 N 1.01 0.99 0.00 1.25 0.00 -1.22 -1.12 119.26 120.17 1ulj h ALA 277 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1ulj h ALA 277 Cb 1.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ulj h ALA 277 CO 0.12 0.75 -0.55 0.82 0.00 0.00 0.00 179.25 180.39 1ulj h ILE 278 N 0.00 1.06 0.00 0.00 2.04 -1.48 -3.34 117.51 115.79 1ulj h ILE 278 Ca -0.01 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1ulj h ILE 278 Cb 1.07 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1ulj h ILE 278 CO 0.08 0.36 -0.88 0.23 0.00 0.00 0.00 178.15 177.93 1ulj n MET 279 N -4.56 2.15 0.00 2.37 2.81 -0.77 -4.90 117.12 114.22 1ulj n MET 279 Ca -0.17 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1ulj n MET 279 Cb 0.48 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1ulj n MET 279 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ulj n GLY 280 N 1.43 -0.55 0.12 3.03 0.00 -0.42 -4.48 105.19 104.32 1ulj n GLY 280 Ca 0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 1ulj n GLY 280 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ulj h PRO 281 N 0.00 0.00 0.21 1.61 0.13 -1.92 -2.68 132.00 129.35 1ulj h PRO 281 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1ulj h PRO 281 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1ulj h PRO 281 CO 0.00 0.68 -1.31 0.87 -0.23 0.00 0.00 178.00 178.02 1ulj h LYS 282 N 0.00 0.52 -0.24 0.86 1.57 -1.98 -2.61 116.57 114.69 1ulj h LYS 282 Ca -0.01 -0.84 -0.06 0.00 -1.87 0.00 0.00 60.65 57.87 1ulj h LYS 282 Cb 1.27 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1ulj h LYS 282 CO 0.09 1.39 -0.10 0.28 -0.57 0.00 0.00 179.45 180.55 1ulj h VAL 283 N 0.08 1.30 -0.81 0.50 2.07 -1.78 -2.09 116.25 115.51 1ulj h VAL 283 Ca -0.22 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1ulj h VAL 283 Cb 2.02 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 1ulj h VAL 283 CO 0.25 0.36 0.53 0.74 0.02 0.00 0.00 177.57 179.47 1ulj h THR 284 N 0.22 1.10 -0.08 2.57 2.02 -1.56 -1.52 112.91 115.66 1ulj h THR 284 Ca 0.06 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 1ulj h THR 284 Cb 0.59 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1ulj h THR 284 CO 0.03 0.18 -0.49 -0.08 0.37 0.00 0.00 175.52 175.53 1ulj h GLU 285 N 0.97 0.47 -0.29 6.66 4.81 -1.44 -2.73 114.58 123.02 1ulj h GLU 285 Ca 0.33 -0.40 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1ulj h GLU 285 Cb 0.10 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1ulj h GLU 285 CO -0.11 1.04 0.20 -0.92 -0.73 0.00 0.00 179.01 178.49 1ulj h TYR 286 N 0.03 0.11 0.00 0.92 5.03 -1.05 -0.46 116.97 121.55 1ulj h TYR 286 Ca -0.04 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 1ulj h TYR 286 Cb 1.15 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 1ulj h TYR 286 CO 0.12 0.06 -0.90 2.35 -1.32 0.00 0.00 178.16 178.47 1ulj h TRP 287 N 0.11 0.00 0.00 -3.82 2.91 -1.22 -3.36 115.95 110.57 1ulj h TRP 287 Ca 0.13 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1ulj h TRP 287 Cb 0.39 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.04 1ulj h TRP 287 CO -0.00 0.56 -1.18 0.25 -1.03 0.00 0.00 178.44 177.04 1ulj n THR 288 N -3.10 0.09 -4.07 2.65 -2.24 -1.04 -4.40 114.28 102.18 1ulj n THR 288 Ca -0.03 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1ulj n THR 288 Cb 0.79 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 1ulj n THR 288 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ulj s GLN 289 N -2.18 0.54 0.00 -0.78 -0.21 -0.20 -4.81 119.66 112.02 1ulj s GLN 289 Ca -0.01 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.36 1ulj s GLN 289 Cb 0.02 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1ulj s GLN 289 CO 0.14 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 1ulj n GLY 290 N 0.68 0.37 0.30 3.09 0.00 -1.26 -4.41 105.19 103.97 1ulj n GLY 290 Ca -0.18 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 43.88 1ulj n GLY 290 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ulj h PRO 291 N 0.00 0.65 -0.09 1.61 0.13 -1.98 -1.90 132.00 130.43 1ulj h PRO 291 Ca 0.00 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.97 1ulj h PRO 291 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 1ulj h PRO 291 CO 0.00 0.43 -0.48 0.00 -0.23 0.00 0.00 178.00 177.72 1ulj h ALA 292 N 1.51 1.02 0.00 -0.56 0.00 -1.88 -0.70 119.26 118.65 1ulj h ALA 292 Ca 0.43 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1ulj h ALA 292 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ulj h ALA 292 CO -0.31 0.64 -0.64 0.00 0.00 0.00 0.00 179.25 178.94 1ulj h ALA 293 N 1.32 0.63 -0.47 0.00 0.00 -1.61 -2.85 119.26 116.28 1ulj h ALA 293 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1ulj h ALA 293 Cb 0.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ulj h ALA 293 CO 0.07 0.80 -0.07 0.93 0.00 0.00 0.00 179.25 180.99 1ulj h GLU 294 N 0.00 0.88 -0.80 0.00 4.39 -0.80 -2.87 114.58 115.37 1ulj h GLU 294 Ca -0.01 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1ulj h GLU 294 Cb 1.43 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 1ulj h GLU 294 CO 0.08 0.95 0.35 -0.22 -1.16 0.00 0.00 179.01 179.01 1ulj h LYS 295 N 0.72 1.18 -0.48 2.33 3.11 -1.12 -1.93 116.57 120.38 1ulj h LYS 295 Ca 0.13 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1ulj h LYS 295 Cb 0.60 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 1ulj h LYS 295 CO 0.04 0.94 0.30 0.00 -2.81 0.00 0.00 179.45 177.92 1ulj h ALA 296 N 1.22 0.61 -0.26 5.00 0.00 -1.49 -1.00 119.26 123.34 1ulj h ALA 296 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ulj h ALA 296 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ulj h ALA 296 CO -0.03 0.09 0.08 0.77 0.00 0.00 0.00 179.25 180.15 1ulj h SER 297 N 0.65 0.38 -0.45 0.00 0.02 -1.23 -1.68 113.55 111.23 1ulj h SER 297 Ca 0.17 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1ulj h SER 297 Cb -0.03 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.32 1ulj h SER 297 CO -0.03 0.49 -0.18 -0.08 -1.14 0.00 0.00 176.83 175.89 1ulj h GLU 298 N 0.25 -0.07 0.00 3.45 4.81 -1.28 -0.29 114.58 121.45 1ulj h GLU 298 Ca 0.08 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1ulj h GLU 298 Cb 0.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ulj h GLU 298 CO -0.00 -0.05 -0.30 0.00 -0.73 0.00 0.00 179.01 177.93 1ulj h ARG 299 N -0.08 0.00 -0.58 1.92 3.08 -1.01 -2.84 114.38 114.89 1ulj h ARG 299 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ulj h ARG 299 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ulj h ARG 299 CO -0.51 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 179.97 1ulj n LEU 300 N -3.35 4.15 -3.65 3.04 4.77 -0.65 -4.98 117.00 116.33 1ulj n LEU 300 Ca 0.01 -2.31 -0.27 0.00 -0.03 0.00 0.00 56.01 53.41 1ulj n LEU 300 Cb 0.52 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1ulj n LEU 300 CO 0.36 0.83 -0.03 0.61 -1.33 0.00 0.00 177.39 177.82 1ulj n GLY 301 N 0.98 -0.47 3.64 -0.72 0.00 -0.28 -4.92 105.19 103.42 1ulj n GLY 301 Ca 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1ulj n GLY 301 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ulj s SER 302 N -2.90 -0.33 0.25 1.61 0.15 -0.30 -5.02 113.70 107.15 1ulj s SER 302 Ca 0.52 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.76 1ulj s SER 302 Cb -0.28 0.94 0.29 0.00 -1.71 0.00 0.00 66.02 65.27 1ulj s SER 302 CO 0.63 -0.09 1.60 0.74 1.20 0.00 0.00 173.24 177.32 1ulj h THR 303 N 4.45 1.35 -0.03 6.45 2.02 -1.92 -2.89 112.91 122.34 1ulj h THR 303 Ca -0.28 -1.79 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 1ulj h THR 303 Cb 1.18 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1ulj h THR 303 CO 0.19 0.54 0.01 -0.08 0.37 0.00 0.00 175.52 176.54 1ulj h GLU 304 N 0.24 0.04 -0.38 6.66 4.81 -1.96 -2.01 114.58 121.98 1ulj h GLU 304 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ulj h GLU 304 Cb 1.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1ulj h GLU 304 CO 0.08 0.17 0.19 0.00 -0.73 0.00 0.00 179.01 178.73 1ulj h ARG 305 N -0.10 0.38 0.22 1.92 3.08 -1.92 -1.77 114.38 116.19 1ulj h ARG 305 Ca 0.01 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 1ulj h ARG 305 Cb 0.15 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.14 1ulj h ARG 305 CO -0.00 0.25 -1.32 0.78 -1.07 0.00 0.00 179.97 178.61 1ulj h GLY 306 N 0.39 0.53 -0.04 0.04 0.00 -1.47 -3.38 103.07 99.14 1ulj h GLY 306 Ca 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 47.33 46.14 1ulj h GLY 306 CO -0.11 1.18 -0.19 -1.06 0.00 0.00 0.00 176.54 176.36 1ulj n GLN 307 N -3.83 4.98 -0.00 4.80 6.02 -0.76 -4.75 117.38 123.84 1ulj n GLN 307 Ca -0.17 -0.08 0.02 0.00 -0.01 0.00 0.00 57.00 56.77 1ulj n GLN 307 Cb 1.02 -0.74 -0.03 0.00 1.02 0.00 0.00 30.24 31.50 1ulj n GLN 307 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1ulj n GLN 308 N -0.97 2.81 -2.29 -1.09 1.13 -0.69 -4.52 117.38 111.76 1ulj n GLN 308 Ca 0.01 -0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.62 1ulj n GLN 308 Cb 0.07 -0.92 -0.02 0.00 0.11 0.00 0.00 30.24 29.48 1ulj n GLN 308 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ulj s LEU 309 N -2.78 4.24 -0.17 1.08 1.02 -1.08 -1.13 118.68 119.87 1ulj s LEU 309 Ca 0.00 1.90 0.01 0.00 0.02 0.00 0.00 54.13 56.05 1ulj s LEU 309 Cb 0.03 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.73 1ulj s LEU 309 CO 0.20 -0.78 -0.15 -0.04 0.02 0.00 0.00 176.35 175.59 1ulj s MET 310 N 3.38 2.44 -0.72 1.70 -1.94 -0.48 -4.83 119.30 118.84 1ulj s MET 310 Ca 0.61 -0.69 -0.02 0.00 -1.71 0.00 0.00 55.69 53.87 1ulj s MET 310 Cb -0.26 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.29 1ulj s MET 310 CO 0.21 -0.26 0.67 0.00 -0.01 0.00 0.00 175.02 175.63 1ulj n ALA 311 N 4.71 -2.60 -2.06 3.03 0.00 -1.26 -2.30 120.51 120.04 1ulj n ALA 311 Ca -0.18 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 1ulj n ALA 311 Cb 0.49 -1.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 1ulj n ALA 311 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ulj s GLN 312 N -3.25 4.30 0.17 0.00 0.74 -1.16 -4.25 119.66 116.20 1ulj s GLN 312 Ca 0.03 0.93 0.08 0.00 0.05 0.00 0.00 55.36 56.45 1ulj s GLN 312 Cb -0.01 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1ulj s GLN 312 CO 0.78 0.39 -0.16 -3.38 -0.55 0.00 0.00 175.29 172.36 1ulj s HIS 313 N -1.52 1.71 -0.14 1.67 -3.43 -0.70 -2.90 115.29 109.98 1ulj s HIS 313 Ca 0.43 -0.51 -0.30 0.00 -0.80 0.00 0.00 55.06 53.88 1ulj s HIS 313 Cb -0.17 -0.85 0.11 0.00 -1.43 0.00 0.00 32.58 30.24 1ulj s HIS 313 CO 0.21 0.30 0.90 1.41 -2.00 0.00 0.00 174.74 175.57 1ulj s MET 314 N -2.97 0.73 -0.05 -0.38 0.00 0.55 -2.12 119.30 115.05 1ulj s MET 314 Ca 0.16 0.22 0.01 0.00 0.00 0.00 0.00 55.69 56.07 1ulj s MET 314 Cb -0.04 0.34 0.02 0.00 0.00 0.00 0.00 34.83 35.15 1ulj s MET 314 CO 0.06 -0.22 -0.06 0.99 0.00 0.00 0.00 175.02 175.80 1ulj s THR 315 N -1.04 0.65 -0.42 10.11 2.01 -0.57 -1.40 115.64 124.98 1ulj s THR 315 Ca -0.04 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.58 1ulj s THR 315 Cb -0.01 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1ulj s THR 315 CO 0.04 0.26 0.65 -0.63 -0.69 0.00 0.00 174.62 174.25 1ulj s ILE 316 N 1.02 4.82 0.37 1.82 -1.09 0.99 -1.81 121.20 127.33 1ulj s ILE 316 Ca -0.09 0.22 -0.27 0.00 -2.23 0.00 0.00 60.65 58.28 1ulj s ILE 316 Cb -0.14 -4.19 -0.11 0.00 -1.58 0.00 0.00 42.46 36.43 1ulj s ILE 316 CO -0.00 -0.56 1.27 0.33 -1.23 0.00 0.00 174.94 174.75 1ulj n PHE 317 N 6.26 2.18 -0.01 3.97 -0.00 -1.26 -2.40 117.46 126.19 1ulj n PHE 317 Ca -0.01 0.53 -0.17 0.00 -0.00 0.00 0.00 57.45 57.80 1ulj n PHE 317 Cb 0.48 -2.39 -0.14 0.00 -0.00 0.00 0.00 39.48 37.43 1ulj n PHE 317 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1ulj n PRO 318 N 0.35 0.71 -0.39 -7.13 -0.04 -1.26 -4.72 135.00 122.53 1ulj n PRO 318 Ca 0.06 0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 1ulj n PRO 318 Cb 0.37 -1.72 0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1ulj n PRO 318 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ulj n THR 319 N -3.32 1.27 -3.81 0.52 -2.24 -1.22 -4.74 114.28 100.73 1ulj n THR 319 Ca -0.28 -1.70 -0.36 0.00 -2.27 0.00 0.00 64.05 59.44 1ulj n THR 319 Cb 1.05 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1ulj n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ulj s SER 321 N 1.43 0.34 0.13 0.00 0.01 -0.51 -0.00 113.70 115.10 1ulj s SER 321 Ca 0.05 -0.43 -0.25 0.00 1.31 0.00 0.00 55.95 56.63 1ulj s SER 321 Cb -0.15 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.22 1ulj s SER 321 CO 0.03 -0.23 0.82 0.72 0.41 0.00 0.00 173.24 174.99 1ulj s PHE 322 N -1.21 -0.29 -0.41 2.43 -0.12 -0.49 -0.51 117.98 117.37 1ulj s PHE 322 Ca -0.12 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 1ulj s PHE 322 Cb -0.08 0.60 0.12 0.00 -0.63 0.00 0.00 43.02 43.03 1ulj s PHE 322 CO -0.01 -0.82 0.17 -0.51 -0.05 0.00 0.00 175.22 174.01 1ulj s LEU 323 N -2.76 3.48 0.19 -1.99 1.43 -0.75 -0.73 118.68 117.56 1ulj s LEU 323 Ca 0.07 -2.42 -0.33 0.00 -1.03 0.00 0.00 54.13 50.42 1ulj s LEU 323 Cb -0.02 -1.29 -0.14 0.00 0.03 0.00 0.00 46.19 44.77 1ulj s LEU 323 CO -0.04 -0.31 1.45 -2.65 0.23 0.00 0.00 176.35 175.03 1ulj n PRO 324 N 3.85 1.94 0.00 1.29 -0.02 -1.14 -0.35 135.00 140.56 1ulj n PRO 324 Ca 0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1ulj n PRO 324 Cb 0.37 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1ulj n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ulj n GLY 325 N 2.65 2.86 0.22 -1.23 0.00 -1.26 -2.96 105.19 105.47 1ulj n GLY 325 Ca 0.14 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1ulj n GLY 325 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ulj h ILE 326 N 0.00 1.29 -0.64 -0.61 2.04 -1.83 -3.48 117.51 114.27 1ulj h ILE 326 Ca 0.00 -1.94 -0.16 0.00 1.00 0.00 0.00 64.86 63.76 1ulj h ILE 326 Cb 0.00 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1ulj h ILE 326 CO 0.00 0.61 -0.17 0.59 0.00 0.00 0.00 178.15 179.19 1ulj n ASN 327 N -3.94 -3.57 -4.78 1.72 4.13 0.52 -4.80 115.26 104.55 1ulj n ASN 327 Ca -0.06 0.12 -0.37 0.00 1.68 0.00 0.00 54.58 55.95 1ulj n ASN 327 Cb 0.71 -2.16 -0.06 0.00 -1.54 0.00 0.00 39.78 36.73 1ulj n ASN 327 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ulj s THR 328 N -2.33 4.17 0.03 3.41 -1.32 -1.26 -1.54 115.64 116.81 1ulj s THR 328 Ca 0.00 1.83 0.01 0.00 -1.21 0.00 0.00 61.69 62.32 1ulj s THR 328 Cb 0.00 -4.03 -0.02 0.00 -1.51 0.00 0.00 72.50 66.93 1ulj s THR 328 CO 0.00 0.18 -0.04 -0.51 -2.21 0.00 0.00 174.62 172.03 1ulj s ILE 329 N -1.57 0.27 0.17 5.08 2.07 0.03 -1.82 121.20 125.42 1ulj s ILE 329 Ca 0.49 -1.11 -0.23 0.00 -1.41 0.00 0.00 60.65 58.39 1ulj s ILE 329 Cb -0.20 -0.57 0.07 0.00 0.13 0.00 0.00 42.46 41.89 1ulj s ILE 329 CO 0.25 -0.55 0.62 0.00 -1.91 0.00 0.00 174.94 173.35 1ulj s ARG 330 N -1.90 1.31 -0.07 3.50 3.03 0.33 -1.05 118.95 124.10 1ulj s ARG 330 Ca -0.10 -0.51 0.03 0.00 2.03 0.00 0.00 55.73 57.18 1ulj s ARG 330 Cb -0.07 0.59 -0.02 0.00 -1.03 0.00 0.00 34.95 34.41 1ulj s ARG 330 CO -0.02 -0.58 -0.17 0.00 -1.13 0.00 0.00 175.30 173.41 1ulj s ALA 331 N -3.75 2.53 -0.13 7.88 0.00 -0.77 -1.42 121.76 126.10 1ulj s ALA 331 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1ulj s ALA 331 Cb -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1ulj s ALA 331 CO -0.11 0.46 0.29 -1.58 0.00 0.00 0.00 175.76 174.82 1ulj s TRP 332 N -0.38 3.51 -0.25 0.00 0.52 -0.65 -2.05 118.94 119.65 1ulj s TRP 332 Ca 0.04 0.64 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 1ulj s TRP 332 Cb -0.12 -2.29 0.02 0.00 -1.15 0.00 0.00 33.47 29.92 1ulj s TRP 332 CO 0.02 0.35 -0.05 -1.01 0.02 0.00 0.00 176.95 176.28 1ulj s HIS 333 N 0.09 3.04 0.50 -1.98 3.76 -0.10 -4.85 115.29 115.77 1ulj s HIS 333 Ca 0.17 -1.42 -0.23 0.00 -0.15 0.00 0.00 55.06 53.44 1ulj s HIS 333 Cb -0.13 -2.08 -0.06 0.00 1.11 0.00 0.00 32.58 31.42 1ulj s HIS 333 CO 0.05 -0.69 1.29 -1.25 -0.85 0.00 0.00 174.74 173.28 1ulj s PRO 334 N 1.36 3.44 -0.36 8.40 0.04 -1.26 -1.51 135.00 145.11 1ulj s PRO 334 Ca 0.01 2.07 0.13 0.00 0.04 0.00 0.00 61.00 63.26 1ulj s PRO 334 Cb -0.16 -2.36 0.39 0.00 0.04 0.00 0.00 34.50 32.41 1ulj s PRO 334 CO -0.04 -0.90 0.91 0.54 0.04 0.00 0.00 177.00 177.55 1ulj n ARG 335 N -0.73 1.06 0.00 4.56 5.12 -0.56 -4.37 116.66 121.74 1ulj n ARG 335 Ca 0.09 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.96 1ulj n ARG 335 Cb 0.46 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 1ulj n ARG 335 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ulj n GLY 336 N 0.08 -1.43 0.10 -0.13 0.00 -1.26 -3.90 105.19 98.64 1ulj n GLY 336 Ca 0.14 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.72 1ulj n GLY 336 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulj n PRO 337 N -1.50 0.15 -0.11 1.61 -0.04 -1.26 -3.42 135.00 130.44 1ulj n PRO 337 Ca 0.00 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1ulj n PRO 337 Cb 0.00 -1.77 0.12 0.00 -0.04 0.00 0.00 33.50 31.81 1ulj n PRO 337 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ulj n ASN 338 N -2.06 2.65 -3.74 3.54 3.02 -1.26 -3.45 115.26 113.96 1ulj n ASN 338 Ca 0.03 -1.78 -0.14 0.00 -0.03 0.00 0.00 54.58 52.66 1ulj n ASN 338 Cb 0.24 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.18 1ulj n ASN 338 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ulj s GLU 339 N -1.09 0.67 0.09 3.52 2.12 -1.05 -1.11 118.70 121.84 1ulj s GLU 339 Ca 0.23 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 1ulj s GLU 339 Cb 0.13 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1ulj s GLU 339 CO 0.19 -0.18 0.04 0.96 -0.54 0.00 0.00 175.26 175.73 1ulj s ILE 340 N -1.14 0.16 0.05 -3.70 -4.36 -0.20 -1.50 121.20 110.51 1ulj s ILE 340 Ca -0.12 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 1ulj s ILE 340 Cb -0.05 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 1ulj s ILE 340 CO 0.04 -0.72 0.04 -1.61 0.24 0.00 0.00 174.94 172.93 1ulj s GLU 341 N -3.97 2.80 -0.19 0.37 2.02 -0.57 -0.75 118.70 118.41 1ulj s GLU 341 Ca 0.14 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 1ulj s GLU 341 Cb 0.07 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.61 1ulj s GLU 341 CO -0.05 0.58 -0.08 0.08 0.02 0.00 0.00 175.26 175.81 1ulj s VAL 342 N -1.28 3.18 -0.34 2.63 1.01 0.09 -0.92 120.40 124.77 1ulj s VAL 342 Ca 0.25 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1ulj s VAL 342 Cb -0.12 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1ulj s VAL 342 CO 0.18 0.46 0.08 0.26 0.00 0.00 0.00 175.10 176.08 1ulj s TRP 343 N 1.17 3.38 0.06 5.22 0.52 -0.87 -2.03 118.94 126.40 1ulj s TRP 343 Ca 0.02 -2.03 0.09 0.00 0.02 0.00 0.00 56.10 54.20 1ulj s TRP 343 Cb -0.14 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1ulj s TRP 343 CO -0.02 -0.85 -0.26 0.00 0.02 0.00 0.00 176.95 175.83 1ulj s ALA 344 N 1.22 2.21 0.28 0.98 0.00 -0.07 -1.86 121.76 124.53 1ulj s ALA 344 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1ulj s ALA 344 Cb -0.21 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1ulj s ALA 344 CO -0.02 0.52 0.25 -0.59 0.00 0.00 0.00 175.76 175.92 1ulj s PHE 345 N -0.84 1.37 -0.01 0.00 -0.12 -0.22 -1.13 117.98 117.03 1ulj s PHE 345 Ca 0.12 -1.46 0.07 0.00 -0.05 0.00 0.00 56.93 55.60 1ulj s PHE 345 Cb -0.10 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 1ulj s PHE 345 CO 0.03 -0.82 -0.22 0.99 -0.05 0.00 0.00 175.22 175.15 1ulj s THR 346 N -3.71 2.41 0.02 -4.49 2.01 -1.26 -0.79 115.64 109.82 1ulj s THR 346 Ca 0.38 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1ulj s THR 346 Cb 0.04 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1ulj s THR 346 CO 0.20 0.53 -0.19 0.68 -0.69 0.00 0.00 174.62 175.14 1ulj s VAL 347 N -0.70 2.69 0.18 3.82 -7.23 -0.59 -1.58 120.40 116.99 1ulj s VAL 347 Ca 0.11 -1.14 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1ulj s VAL 347 Cb -0.10 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1ulj s VAL 347 CO 0.00 0.39 -0.17 0.68 -0.31 0.00 0.00 175.10 175.70 1ulj s VAL 348 N -0.86 1.76 0.17 1.32 -7.23 -0.61 -4.79 120.40 110.16 1ulj s VAL 348 Ca 0.13 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.98 1ulj s VAL 348 Cb -0.10 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 1ulj s VAL 348 CO 0.04 -0.42 1.60 -1.81 -0.31 0.00 0.00 175.10 174.20 1ulj s ASP 349 N -2.87 6.55 0.50 4.85 1.01 -1.26 -0.78 116.67 124.65 1ulj s ASP 349 Ca 0.18 2.66 0.26 0.00 0.71 0.00 0.00 52.55 56.35 1ulj s ASP 349 Cb -0.04 -2.59 1.30 0.00 1.01 0.00 0.00 42.92 42.59 1ulj s ASP 349 CO 0.07 -0.86 2.00 0.00 0.21 0.00 0.00 175.17 176.59 1ulj h ALA 350 N 6.89 1.22 -0.62 5.23 0.00 -1.19 -1.77 119.26 129.01 1ulj h ALA 350 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ulj h ALA 350 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ulj h ALA 350 CO 0.92 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.97 1ulj n ASP 351 N -3.59 3.46 -4.77 0.00 5.68 -1.26 -4.96 116.55 111.11 1ulj n ASP 351 Ca -0.01 -1.99 -0.39 0.00 -0.50 0.00 0.00 54.79 51.89 1ulj n ASP 351 Cb 0.29 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 1ulj n ASP 351 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ulj s ALA 352 N -1.17 3.20 0.68 2.12 0.00 -0.67 -4.98 121.76 120.94 1ulj s ALA 352 Ca 0.43 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.46 1ulj s ALA 352 Cb 0.23 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1ulj s ALA 352 CO 0.30 -0.88 0.84 -2.30 0.00 0.00 0.00 175.76 173.72 1ulj n PRO 353 N -0.04 0.57 0.27 0.00 -0.02 -1.26 -4.76 135.00 129.76 1ulj n PRO 353 Ca 0.05 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1ulj n PRO 353 Cb 0.44 -2.09 0.76 0.00 -0.02 0.00 0.00 33.50 32.59 1ulj n PRO 353 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ulj h GLU 354 N -0.05 0.00 0.00 -0.52 4.39 -1.99 -1.60 114.58 114.82 1ulj h GLU 354 Ca -0.47 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.13 1ulj h GLU 354 Cb 1.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 1ulj h GLU 354 CO 0.47 0.08 -0.46 0.93 -1.16 0.00 0.00 179.01 178.86 1ulj h GLU 355 N 0.00 0.00 0.04 2.33 5.08 -1.99 -2.53 114.58 117.51 1ulj h GLU 355 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1ulj h GLU 355 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ulj h GLU 355 CO 0.01 0.46 -1.17 1.98 -1.00 0.00 0.00 179.01 179.29 1ulj h MET 356 N 0.00 0.08 -0.52 2.33 4.05 -1.65 -2.35 114.93 116.87 1ulj h MET 356 Ca -0.00 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 1ulj h MET 356 Cb 0.91 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 1ulj h MET 356 CO 0.06 1.00 0.03 0.87 0.23 0.00 0.00 176.91 179.10 1ulj h LYS 357 N 0.02 0.90 -0.39 0.39 1.57 -1.39 -1.98 116.57 115.69 1ulj h LYS 357 Ca -0.08 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1ulj h LYS 357 Cb 1.86 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 1ulj h LYS 357 CO 0.14 0.91 -0.05 1.49 -0.57 0.00 0.00 179.45 181.37 1ulj h GLU 358 N 0.77 0.65 -0.03 3.15 4.57 -1.49 -2.06 114.58 120.13 1ulj h GLU 358 Ca 0.15 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1ulj h GLU 358 Cb 0.48 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1ulj h GLU 358 CO 0.02 0.70 -0.12 1.49 -1.18 0.00 0.00 179.01 179.92 1ulj h GLU 359 N 0.60 0.13 -0.99 1.92 4.57 -1.32 -2.49 114.58 117.00 1ulj h GLU 359 Ca 0.12 -0.10 0.20 0.00 -1.18 0.00 0.00 59.36 58.39 1ulj h GLU 359 Cb 0.45 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.96 1ulj h GLU 359 CO 0.02 0.74 0.62 1.88 -1.18 0.00 0.00 179.01 181.09 1ulj h TYR 360 N -0.45 0.95 -0.20 0.92 -1.99 -1.33 -1.39 116.97 113.49 1ulj h TYR 360 Ca -0.01 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1ulj h TYR 360 Cb 0.76 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1ulj h TYR 360 CO 0.14 0.21 -0.03 -0.09 -0.00 0.00 0.00 178.16 178.39 1ulj h ARG 361 N 0.68 0.37 -0.12 4.88 2.43 -1.20 -2.38 114.38 119.04 1ulj h ARG 361 Ca 0.56 -0.14 -0.21 0.00 -0.81 0.00 0.00 59.98 59.39 1ulj h ARG 361 Cb 0.99 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ulj h ARG 361 CO -0.34 0.61 -0.76 1.96 -1.51 0.00 0.00 179.97 179.93 1ulj h GLN 362 N 0.10 0.62 -0.06 0.20 4.20 -1.07 -3.05 115.11 116.05 1ulj h GLN 362 Ca 0.05 -0.51 -0.19 0.00 0.06 0.00 0.00 58.65 58.06 1ulj h GLN 362 Cb 0.47 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ulj h GLN 362 CO 0.02 1.13 -0.71 1.96 -0.67 0.00 0.00 178.83 180.56 1ulj h GLN 363 N 0.42 0.60 -0.92 1.46 1.08 -1.24 -0.07 115.11 116.44 1ulj h GLN 363 Ca -0.04 -0.55 -0.00 0.00 -1.45 0.00 0.00 58.65 56.60 1ulj h GLN 363 Cb 1.36 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.89 1ulj h GLN 363 CO 0.15 1.17 0.56 1.79 -0.95 0.00 0.00 178.83 181.55 1ulj h THR 364 N 0.22 1.25 -0.34 -0.54 1.35 -1.54 -0.57 112.91 112.74 1ulj h THR 364 Ca -0.07 -0.53 -0.12 0.00 -0.55 0.00 0.00 66.41 65.14 1ulj h THR 364 Cb 1.37 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1ulj h THR 364 CO 0.14 0.26 -0.28 0.25 -0.25 0.00 0.00 175.52 175.64 1ulj h LEU 365 N 1.26 0.72 -1.12 3.87 6.46 -1.45 0.17 115.31 125.23 1ulj h LEU 365 Ca 0.33 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1ulj h LEU 365 Cb -0.07 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.66 1ulj h LEU 365 CO -0.06 0.96 -0.16 -0.09 -0.62 0.00 0.00 178.44 178.46 1ulj h ARG 366 N 0.60 0.00 0.00 1.25 2.43 -0.51 -3.37 114.38 114.78 1ulj h ARG 366 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1ulj h ARG 366 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1ulj h ARG 366 CO 0.06 0.16 -0.12 0.25 -1.51 0.00 0.00 179.97 178.82 1ulj n THR 367 N -3.30 0.57 -3.05 0.20 -2.24 -0.26 -0.43 114.28 105.77 1ulj n THR 367 Ca 0.00 0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.62 1ulj n THR 367 Cb 0.41 -1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.21 1ulj n THR 367 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulj n PHE 368 N -3.05 2.60 -4.09 4.78 3.72 0.55 -1.82 117.46 120.16 1ulj n PHE 368 Ca -0.02 -2.91 -0.11 0.00 -0.05 0.00 0.00 57.45 54.36 1ulj n PHE 368 Cb 0.06 -1.09 -0.07 0.00 -0.94 0.00 0.00 39.48 37.45 1ulj n PHE 368 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1ulj s SER 369 N -1.95 0.23 0.22 4.37 1.04 -1.25 -4.83 113.70 111.53 1ulj s SER 369 Ca 0.34 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 1ulj s SER 369 Cb 0.09 0.54 0.30 0.00 0.10 0.00 0.00 66.02 67.05 1ulj s SER 369 CO 0.06 -1.08 1.80 0.00 0.98 0.00 0.00 173.24 174.99 1ulj h ALA 370 N 2.33 0.98 -0.01 5.32 0.00 -1.92 -1.81 119.26 124.15 1ulj h ALA 370 Ca -0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ulj h ALA 370 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ulj h ALA 370 CO 0.41 0.03 -0.26 0.41 0.00 0.00 0.00 179.25 179.85 1ulj n GLY 371 N -1.30 -0.44 3.75 0.00 0.00 -1.26 -4.13 105.19 101.81 1ulj n GLY 371 Ca 0.10 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1ulj n GLY 371 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ulj s GLY 372 N -2.44 1.77 0.00 -0.02 0.00 -0.68 -4.82 107.32 101.14 1ulj s GLY 372 Ca 0.25 0.40 0.29 0.00 0.00 0.00 0.00 44.72 45.66 1ulj s GLY 372 CO 0.50 0.77 1.87 3.33 0.00 0.00 0.00 173.10 179.57 1ulj n VAL 373 N -3.49 0.00 -0.07 1.40 0.24 0.43 -1.79 118.33 115.05 1ulj n VAL 373 Ca 0.10 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.30 1ulj n VAL 373 Cb 0.53 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 1ulj n VAL 373 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ulj n PHE 374 N -1.23 0.00 0.17 6.34 3.01 -0.99 -3.81 117.46 120.94 1ulj n PHE 374 Ca 0.12 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.63 1ulj n PHE 374 Cb 0.29 -0.41 0.51 0.00 -0.01 0.00 0.00 39.48 39.86 1ulj n PHE 374 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ulj h GLU 375 N -0.82 0.15 -0.47 -1.08 4.81 -1.42 -2.31 114.58 113.44 1ulj h GLU 375 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1ulj h GLU 375 Cb 0.82 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.10 1ulj h GLU 375 CO 0.00 0.20 -0.18 1.04 -0.73 0.00 0.00 179.01 179.34 1ulj n GLN 376 N -4.41 -0.11 0.06 1.92 6.02 -0.74 -2.23 117.38 117.90 1ulj n GLN 376 Ca -0.01 0.72 -0.04 0.00 -0.01 0.00 0.00 57.00 57.65 1ulj n GLN 376 Cb 0.17 -1.06 -0.09 0.00 1.02 0.00 0.00 30.24 30.27 1ulj n GLN 376 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ulj h ASP 377 N 0.00 0.00 -0.89 1.08 3.32 -1.69 -3.14 116.42 115.09 1ulj h ASP 377 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ulj h ASP 377 Cb 0.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1ulj h ASP 377 CO -0.46 0.85 0.49 0.44 -1.72 0.00 0.00 179.24 178.84 1ulj h ASP 378 N 0.00 1.11 0.01 6.45 5.19 -1.54 -2.36 116.42 125.28 1ulj h ASP 378 Ca -0.07 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1ulj h ASP 378 Cb 1.71 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.92 1ulj h ASP 378 CO 0.10 0.89 -0.10 1.23 -3.12 0.00 0.00 179.24 178.24 1ulj h GLY 379 N 1.25 -0.13 1.15 2.75 0.00 -1.44 -1.93 103.07 104.72 1ulj h GLY 379 Ca 0.31 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1ulj h GLY 379 CO -0.05 -0.11 0.46 -2.09 0.00 0.00 0.00 176.54 174.75 1ulj h GLU 380 N -0.18 1.12 0.45 4.80 4.57 -1.53 -2.43 114.58 121.38 1ulj h GLU 380 Ca 0.04 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1ulj h GLU 380 Cb 0.22 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ulj h GLU 380 CO -0.10 0.81 -0.21 -0.91 -1.18 0.00 0.00 179.01 177.42 1ulj h ASN 381 N 1.13 -0.51 -0.42 1.04 -0.26 -1.10 -2.72 115.58 112.76 1ulj h ASN 381 Ca 0.29 -0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.98 1ulj h ASN 381 Cb 0.01 0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.36 1ulj h ASN 381 CO -0.05 -0.19 0.19 -0.50 -1.06 0.00 0.00 177.43 175.82 1ulj h TRP 382 N -0.85 0.34 -0.82 1.19 6.55 -1.34 -1.26 115.95 119.77 1ulj h TRP 382 Ca -0.06 0.02 0.20 0.00 0.95 0.00 0.00 58.89 60.00 1ulj h TRP 382 Cb 0.56 -0.09 -0.13 0.00 -0.86 0.00 0.00 29.16 28.64 1ulj h TRP 382 CO 0.00 0.16 0.17 0.28 -1.05 0.00 0.00 178.44 178.01 1ulj h VAL 383 N 0.38 0.37 0.03 1.49 2.07 -1.50 -2.05 116.25 117.05 1ulj h VAL 383 Ca 0.18 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.42 1ulj h VAL 383 Cb 0.12 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1ulj h VAL 383 CO -0.15 0.04 -0.98 -0.33 0.02 0.00 0.00 177.57 176.17 1ulj h GLU 384 N 0.21 0.18 -0.72 1.57 4.39 -1.04 -2.70 114.58 116.47 1ulj h GLU 384 Ca 0.49 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 60.02 1ulj h GLU 384 Cb 0.92 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 1ulj h GLU 384 CO -0.62 1.02 0.42 0.82 -1.16 0.00 0.00 179.01 179.49 1ulj h ILE 385 N 0.08 1.00 -0.00 3.13 2.04 -0.85 -2.44 117.51 120.46 1ulj h ILE 385 Ca -0.06 -0.27 -0.27 0.00 1.00 0.00 0.00 64.86 65.27 1ulj h ILE 385 Cb 1.66 0.15 0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1ulj h ILE 385 CO 0.15 0.14 -1.04 -0.61 0.00 0.00 0.00 178.15 176.79 1ulj h GLN 386 N 0.78 0.71 -0.50 2.37 5.75 -1.34 -2.90 115.11 119.98 1ulj h GLN 386 Ca 0.32 -0.76 0.02 0.00 -0.15 0.00 0.00 58.65 58.08 1ulj h GLN 386 Cb 0.17 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1ulj h GLN 386 CO -0.17 1.33 0.29 1.96 -2.65 0.00 0.00 178.83 179.59 1ulj h GLN 387 N 0.40 0.57 -0.21 1.69 1.08 -1.49 -2.60 115.11 114.55 1ulj h GLN 387 Ca -0.13 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1ulj h GLN 387 Cb 1.69 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 1ulj h GLN 387 CO 0.21 0.38 0.14 0.28 -0.95 0.00 0.00 178.83 178.88 1ulj h VAL 388 N 0.58 0.99 0.00 -0.54 2.07 -1.31 -2.15 116.25 115.89 1ulj h VAL 388 Ca 0.20 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1ulj h VAL 388 Cb 0.03 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ulj h VAL 388 CO -0.10 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.71 1ulj n LEU 389 N -4.50 0.00 0.26 2.57 4.77 -0.98 -2.12 117.00 117.01 1ulj n LEU 389 Ca 0.01 0.08 0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1ulj n LEU 389 Cb 0.16 -0.08 0.68 0.00 -2.33 0.00 0.00 43.42 41.85 1ulj n LEU 389 CO 0.35 -0.02 1.05 -0.09 -1.33 0.00 0.00 177.39 177.35 1ulj h ARG 390 N 0.00 0.00 -7.00 3.23 9.65 -1.45 -3.44 114.38 115.36 1ulj h ARG 390 Ca 0.00 0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.36 1ulj h ARG 390 Cb 0.06 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.72 1ulj h ARG 390 CO 0.00 0.03 0.52 0.20 2.80 0.00 0.00 179.97 183.52 1ulj s GLY 391 N -4.10 2.82 -0.02 2.80 0.00 -0.90 -4.99 107.32 102.93 1ulj s GLY 391 Ca -0.05 1.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.49 1ulj s GLY 391 CO 0.64 1.52 1.12 0.84 0.00 0.00 0.00 173.10 177.22 1ulj h HIS 392 N 2.00 0.39 -0.47 1.90 2.76 -1.90 -3.00 115.15 116.84 1ulj h HIS 392 Ca -0.50 -0.19 -0.12 0.00 -2.20 0.00 0.00 60.37 57.37 1ulj h HIS 392 Cb 1.26 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1ulj h HIS 392 CO 0.52 0.96 -0.17 0.87 -1.30 0.00 0.00 177.93 178.81 1ulj h LYS 393 N -0.28 0.90 -0.50 5.26 1.79 -1.97 -2.92 116.57 118.85 1ulj h LYS 393 Ca -0.03 -0.35 0.15 0.00 -2.18 0.00 0.00 60.65 58.24 1ulj h LYS 393 Cb 1.02 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 1ulj h LYS 393 CO 0.07 1.00 0.45 0.00 -1.08 0.00 0.00 179.45 179.88 1ulj h ALA 394 N 1.01 2.30 -0.11 3.86 0.00 -1.86 -0.59 119.26 123.87 1ulj h ALA 394 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ulj h ALA 394 Cb 0.71 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ulj h ALA 394 CO 0.05 -0.71 0.00 0.54 0.00 0.00 0.00 179.25 179.14 1ulj n ARG 395 N -3.95 2.16 -0.13 0.00 1.74 -1.12 -4.60 116.66 110.76 1ulj n ARG 395 Ca 0.09 -1.92 0.12 0.00 -0.77 0.00 0.00 57.85 55.37 1ulj n ARG 395 Cb 0.66 -1.44 0.25 0.00 -1.02 0.00 0.00 32.46 30.90 1ulj n ARG 395 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ulj n SER 396 N 1.28 2.93 -3.79 0.55 3.41 -0.23 -4.50 113.62 113.27 1ulj n SER 396 Ca 0.14 -1.92 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 1ulj n SER 396 Cb 0.56 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 1ulj n SER 396 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ulj s ARG 397 N -1.65 0.34 0.55 4.33 0.52 -1.26 -5.09 118.95 116.70 1ulj s ARG 397 Ca 0.36 0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 55.64 1ulj s ARG 397 Cb 0.21 0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.80 1ulj s ARG 397 CO 0.30 -0.05 1.24 -1.25 0.02 0.00 0.00 175.30 175.56 1ulj s PRO 398 N -0.05 3.18 0.61 3.54 0.04 -1.26 -4.50 135.00 136.55 1ulj s PRO 398 Ca -0.02 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1ulj s PRO 398 Cb -0.02 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ulj s PRO 398 CO 0.01 -1.06 1.04 -0.06 0.04 0.00 0.00 177.00 176.97 1ulj s PHE 399 N -1.51 3.18 -0.45 0.56 2.99 0.60 -4.84 117.98 118.51 1ulj s PHE 399 Ca 0.73 1.45 -0.24 0.00 0.00 0.00 0.00 56.93 58.87 1ulj s PHE 399 Cb -0.33 -2.90 0.03 0.00 0.00 0.00 0.00 43.02 39.82 1ulj s PHE 399 CO 0.37 -0.96 0.86 1.21 -0.00 0.00 0.00 175.22 176.69 1ulj s ASN 400 N -3.28 6.46 -0.46 1.36 3.84 -1.26 -2.38 114.94 119.21 1ulj s ASN 400 Ca 0.60 0.01 0.05 0.00 0.21 0.00 0.00 52.86 53.73 1ulj s ASN 400 Cb -0.14 -2.42 0.41 0.00 -0.55 0.00 0.00 41.25 38.55 1ulj s ASN 400 CO 0.43 -0.98 1.09 0.00 -2.79 0.00 0.00 177.10 174.85 1ulj n ALA 401 N 6.94 5.02 0.42 1.71 0.00 -0.49 -4.82 120.51 129.29 1ulj n ALA 401 Ca 0.04 -4.39 0.08 0.00 0.00 0.00 0.00 53.44 49.17 1ulj n ALA 401 Cb 0.48 -0.57 0.10 0.00 0.00 0.00 0.00 19.45 19.46 1ulj n ALA 401 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ulj n GLU 402 N -0.44 1.58 -1.69 0.00 0.28 -1.24 -4.35 120.64 114.78 1ulj n GLU 402 Ca 0.38 -1.64 -0.44 0.00 -0.16 0.00 0.00 57.16 55.30 1ulj n GLU 402 Cb 0.62 -1.32 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 1ulj n GLU 402 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1ulj n MET 403 N 0.88 2.53 -1.36 3.44 1.56 -1.26 -2.07 117.12 120.84 1ulj n MET 403 Ca 0.11 0.92 -0.10 0.00 -0.27 0.00 0.00 57.70 58.36 1ulj n MET 403 Cb 0.42 -2.77 -0.04 0.00 2.15 0.00 0.00 33.22 32.98 1ulj n MET 403 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ulj n GLY 404 N 4.03 1.05 3.69 -5.12 0.00 -1.26 -2.19 105.19 105.38 1ulj n GLY 404 Ca 0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ulj n GLY 404 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ulj s LEU 405 N -2.29 4.40 0.00 0.99 1.43 -0.88 -2.04 118.68 120.28 1ulj s LEU 405 Ca 0.00 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1ulj s LEU 405 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1ulj s LEU 405 CO 0.00 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.19 1ulj n GLY 406 N 4.26 0.37 2.76 -3.19 0.00 -1.26 -4.91 105.19 103.22 1ulj n GLY 406 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ulj n GLY 406 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ulj n GLN 407 N -1.61 4.80 -4.44 1.61 6.02 -0.87 -4.99 117.38 117.91 1ulj n GLN 407 Ca 0.00 -4.66 -0.21 0.00 -0.01 0.00 0.00 57.00 52.11 1ulj n GLN 407 Cb 0.15 -2.44 -0.10 0.00 1.02 0.00 0.00 30.24 28.86 1ulj n GLN 407 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1ulj s THR 408 N -3.84 1.42 -0.29 5.09 -4.23 -1.26 -4.47 115.64 108.05 1ulj s THR 408 Ca 0.38 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1ulj s THR 408 Cb 0.16 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 71.57 1ulj s THR 408 CO -0.06 -0.16 0.57 -0.62 -0.54 0.00 0.00 174.62 173.81 1ulj s ASP 409 N -3.47 -1.32 0.00 3.99 2.15 -0.58 -4.99 116.67 112.46 1ulj s ASP 409 Ca 0.33 0.28 0.22 0.00 0.43 0.00 0.00 52.55 53.80 1ulj s ASP 409 Cb 0.06 1.94 0.55 0.00 -0.30 0.00 0.00 42.92 45.18 1ulj s ASP 409 CO 0.13 -0.30 1.47 -1.54 -0.17 0.00 0.00 175.17 174.76 1ulj n SER 410 N 5.41 3.72 -2.35 -0.34 3.41 -1.26 -1.49 113.62 120.72 1ulj n SER 410 Ca 0.03 -1.99 -0.27 0.00 -0.26 0.00 0.00 58.87 56.38 1ulj n SER 410 Cb 0.53 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1ulj n SER 410 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ulj n ASP 411 N 1.50 5.14 -4.68 4.04 9.92 -1.26 -4.67 116.55 126.54 1ulj n ASP 411 Ca 0.22 -3.74 -0.42 0.00 -0.53 0.00 0.00 54.79 50.32 1ulj n ASP 411 Cb 0.60 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1ulj n ASP 411 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ulj s ASN 412 N -3.29 7.12 0.32 -2.24 3.84 -1.26 -4.97 114.94 114.46 1ulj s ASN 412 Ca 0.50 1.38 0.14 0.00 0.21 0.00 0.00 52.86 55.09 1ulj s ASN 412 Cb 0.41 -2.51 0.49 0.00 -0.55 0.00 0.00 41.25 39.09 1ulj s ASN 412 CO -0.12 -0.43 1.66 1.55 -2.79 0.00 0.00 177.10 176.97 1ulj h PRO 413 N 7.19 0.00 0.00 0.43 0.13 -1.98 -3.24 132.00 134.52 1ulj h PRO 413 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1ulj h PRO 413 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ulj h PRO 413 CO 0.85 0.51 -1.41 -0.25 -0.23 0.00 0.00 178.00 177.47 1ulj n ASP 414 N -3.68 0.54 -3.79 1.44 10.43 -1.26 -4.92 116.55 115.31 1ulj n ASP 414 Ca -0.01 0.21 -0.24 0.00 2.57 0.00 0.00 54.79 57.33 1ulj n ASP 414 Cb 0.57 0.97 -0.17 0.00 1.84 0.00 0.00 41.12 44.33 1ulj n ASP 414 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1ulj s TYR 415 N -3.36 0.84 0.62 1.24 1.51 -1.22 -5.14 117.35 111.83 1ulj s TYR 415 Ca -0.04 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1ulj s TYR 415 Cb 0.11 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1ulj s TYR 415 CO 0.83 -0.38 1.05 -2.14 -1.11 0.00 0.00 175.55 173.81 1ulj s PRO 416 N 1.92 3.22 1.04 -1.71 0.02 -1.26 -4.41 135.00 133.82 1ulj s PRO 416 Ca 0.05 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1ulj s PRO 416 Cb -0.13 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1ulj s PRO 416 CO -0.06 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 1ulj n GLY 417 N -1.33 -1.71 3.37 0.52 0.00 -1.26 -4.81 105.19 99.97 1ulj n GLY 417 Ca 0.08 -1.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.02 1ulj n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulj s THR 418 N 0.00 4.89 0.06 2.61 2.01 -0.90 -4.33 115.64 119.99 1ulj s THR 418 Ca 0.00 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 1ulj s THR 418 Cb 0.00 -4.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 1ulj s THR 418 CO 0.00 -1.04 0.53 -0.63 -0.69 0.00 0.00 174.62 172.79 1ulj s ILE 419 N 2.50 4.81 0.32 1.82 1.09 -0.56 -1.96 121.20 129.22 1ulj s ILE 419 Ca 0.10 1.11 0.03 0.00 -1.10 0.00 0.00 60.65 60.80 1ulj s ILE 419 Cb -0.24 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1ulj s ILE 419 CO 0.06 0.54 0.15 -0.44 -0.10 0.00 0.00 174.94 175.15 1ulj s SER 420 N -1.14 1.80 0.63 3.58 0.01 -0.33 -1.52 113.70 116.72 1ulj s SER 420 Ca 0.28 -1.56 -0.16 0.00 1.31 0.00 0.00 55.95 55.82 1ulj s SER 420 Cb -0.19 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 1ulj s SER 420 CO 0.18 -0.87 1.10 -0.47 0.41 0.00 0.00 173.24 173.59 1ulj s TYR 421 N -3.52 2.69 0.56 2.43 6.04 -1.26 -0.87 117.35 123.42 1ulj s TYR 421 Ca 0.34 1.54 0.24 0.00 0.04 0.00 0.00 57.07 59.23 1ulj s TYR 421 Cb 0.05 -3.16 1.52 0.00 -1.04 0.00 0.00 41.96 39.33 1ulj s TYR 421 CO 0.17 -1.57 2.15 -0.24 -1.54 0.00 0.00 175.55 174.53 1ulj h VAL 422 N 0.33 0.72 -3.33 3.14 3.04 -1.72 -3.28 116.25 115.16 1ulj h VAL 422 Ca -0.47 0.00 -0.76 0.00 -1.01 0.00 0.00 66.70 64.45 1ulj h VAL 422 Cb 1.24 0.93 -0.24 0.00 -2.01 0.00 0.00 31.29 31.22 1ulj h VAL 422 CO 0.55 0.00 -0.02 -0.31 -1.01 0.00 0.00 177.57 176.79 1ulj s TYR 423 N -4.85 3.42 0.09 3.17 4.12 -1.26 -4.47 117.35 117.56 1ulj s TYR 423 Ca -0.05 -1.53 -0.26 0.00 0.02 0.00 0.00 57.07 55.25 1ulj s TYR 423 Cb 0.16 -3.85 0.08 0.00 -1.52 0.00 0.00 41.96 36.84 1ulj s TYR 423 CO 0.62 -1.06 0.75 0.45 0.02 0.00 0.00 175.55 176.33 1ulj s SER 424 N 3.05 -0.45 -0.27 2.29 0.15 -1.24 -4.75 113.70 112.48 1ulj s SER 424 Ca 0.11 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.82 1ulj s SER 424 Cb -0.21 0.50 0.46 0.00 -1.71 0.00 0.00 66.02 65.07 1ulj s SER 424 CO -0.02 -0.82 1.34 -0.62 1.20 0.00 0.00 173.24 174.32 1ulj n GLU 425 N -0.32 2.02 0.05 5.44 1.02 -0.93 -4.70 120.64 123.22 1ulj n GLU 425 Ca -0.12 -3.39 -0.13 0.00 -0.02 0.00 0.00 57.16 53.50 1ulj n GLU 425 Cb 0.63 -1.82 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 1ulj n GLU 425 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ulj h GLU 426 N 1.21 -0.06 -0.81 3.49 4.39 -1.89 -0.99 114.58 119.91 1ulj h GLU 426 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ulj h GLU 426 Cb 1.34 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.97 1ulj h GLU 426 CO 0.32 0.03 0.51 0.00 -1.16 0.00 0.00 179.01 178.72 1ulj h ALA 427 N 0.81 1.03 0.02 3.43 0.00 -1.84 0.11 119.26 122.83 1ulj h ALA 427 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ulj h ALA 427 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ulj h ALA 427 CO 0.01 0.47 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 1ulj h ALA 428 N 1.28 -0.18 -0.02 0.00 0.00 -1.83 0.18 119.26 118.69 1ulj h ALA 428 Ca 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ulj h ALA 428 Cb -0.08 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ulj h ALA 428 CO -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 179.25 178.50 1ulj h ARG 429 N -0.25 0.02 -0.28 0.00 3.08 -0.60 -1.05 114.38 115.30 1ulj h ARG 429 Ca 0.04 -0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.91 1ulj h ARG 429 Cb 0.30 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ulj h ARG 429 CO -0.12 0.08 -0.52 0.78 -1.07 0.00 0.00 179.97 179.11 1ulj h GLY 430 N 0.21 0.89 1.06 0.04 0.00 0.41 -2.31 103.07 103.36 1ulj h GLY 430 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.24 1ulj h GLY 430 CO 0.01 0.91 0.04 -2.00 0.00 0.00 0.00 176.54 175.49 1ulj h LEU 431 N 0.63 1.00 -0.61 3.11 6.46 0.21 -0.68 115.31 125.43 1ulj h LEU 431 Ca 0.02 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1ulj h LEU 431 Cb 1.11 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1ulj h LEU 431 CO 0.11 1.04 0.00 1.88 -0.62 0.00 0.00 178.44 180.85 1ulj h TYR 432 N 0.92 0.00 0.21 1.25 -1.99 -1.27 -1.06 116.97 115.03 1ulj h TYR 432 Ca 0.17 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.57 1ulj h TYR 432 Cb 0.51 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.26 1ulj h TYR 432 CO 0.04 0.00 -1.57 1.15 -0.00 0.00 0.00 178.16 177.78 1ulj h THR 433 N 0.00 1.16 -0.64 -2.88 2.02 -1.18 -1.97 112.91 109.42 1ulj h THR 433 Ca 0.00 -2.67 -0.05 0.00 0.77 0.00 0.00 66.41 64.46 1ulj h THR 433 Cb 0.75 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 70.04 1ulj h THR 433 CO 0.00 0.84 0.21 -0.61 0.37 0.00 0.00 175.52 176.33 1ulj h GLN 434 N 0.12 0.97 -0.37 6.66 5.75 -1.07 -0.33 115.11 126.83 1ulj h GLN 434 Ca -0.28 -0.18 0.08 0.00 -0.15 0.00 0.00 58.65 58.12 1ulj h GLN 434 Cb 2.12 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 30.43 1ulj h GLN 434 CO 0.22 0.82 -0.18 2.35 -2.65 0.00 0.00 178.83 179.39 1ulj h TRP 435 N 0.94 -0.46 -0.49 3.99 7.01 -1.19 -1.86 115.95 123.90 1ulj h TRP 435 Ca 0.21 0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.29 1ulj h TRP 435 Cb 0.25 0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 1ulj h TRP 435 CO 0.02 -0.26 0.25 0.28 -2.79 0.00 0.00 178.44 175.94 1ulj h VAL 436 N -0.12 0.98 -0.55 2.65 2.07 -0.54 -1.38 116.25 119.36 1ulj h VAL 436 Ca 0.18 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1ulj h VAL 436 Cb 0.40 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1ulj h VAL 436 CO -0.45 0.09 -0.10 0.03 0.02 0.00 0.00 177.57 177.16 1ulj h ARG 437 N 0.50 1.04 -0.19 1.57 3.08 -0.75 -1.03 114.38 118.60 1ulj h ARG 437 Ca 0.21 -0.39 -0.18 0.00 0.07 0.00 0.00 59.98 59.70 1ulj h ARG 437 Cb 0.10 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ulj h ARG 437 CO -0.14 1.08 -0.60 0.52 -1.07 0.00 0.00 179.97 179.77 1ulj h MET 438 N 0.92 0.63 0.00 0.04 2.86 -1.23 -2.15 114.93 116.00 1ulj h MET 438 Ca 0.14 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 1ulj h MET 438 Cb 0.68 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1ulj h MET 438 CO 0.05 1.04 -0.28 0.52 1.06 0.00 0.00 176.91 179.30 1ulj h MET 439 N 0.47 0.00 -0.07 1.72 2.86 -1.00 -3.18 114.93 115.72 1ulj h MET 439 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ulj h MET 439 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ulj h MET 439 CO 0.12 0.28 0.00 0.25 1.06 0.00 0.00 176.91 178.62 1ulj n THR 440 N -3.51 0.10 -3.60 2.22 -2.24 -0.41 -4.92 114.28 101.92 1ulj n THR 440 Ca -0.00 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 1ulj n THR 440 Cb 0.44 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 1ulj n THR 440 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ulj s SER 441 N -1.42 6.12 0.52 3.42 0.01 -0.82 -4.98 113.70 116.55 1ulj s SER 441 Ca 0.22 0.11 0.24 0.00 1.31 0.00 0.00 55.95 57.84 1ulj s SER 441 Cb 0.15 -2.12 1.41 0.00 0.21 0.00 0.00 66.02 65.66 1ulj s SER 441 CO 0.22 0.01 2.09 -0.65 0.41 0.00 0.00 173.24 175.32 1ulj h PRO 442 N 7.80 0.00 0.00 12.44 0.11 -1.91 -3.47 132.00 146.97 1ulj h PRO 442 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 1ulj h PRO 442 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ulj h PRO 442 CO 0.63 0.11 0.18 -0.40 -0.21 0.00 0.00 178.00 178.30 1ulj n ASP 443 N -3.88 -2.03 0.21 -2.05 3.85 -1.26 -5.04 116.55 106.34 1ulj n ASP 443 Ca -0.02 -2.61 0.06 0.00 -0.71 0.00 0.00 54.79 51.51 1ulj n ASP 443 Cb 0.20 3.44 0.44 0.00 -1.35 0.00 0.00 41.12 43.85 1ulj n ASP 443 CO 0.00 0.00 0.00 -0.50 -1.01 0.00 0.00 177.20 175.69 1ulj h TRP 444 N 1.96 0.00 0.01 2.11 4.06 -1.90 -2.61 115.95 119.58 1ulj h TRP 444 Ca -0.31 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.64 1ulj h TRP 444 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1ulj h TRP 444 CO 0.00 0.31 -0.00 0.00 -3.56 0.00 0.00 178.44 175.19 1ulj h ALA 445 N 1.69 -0.01 -0.45 1.49 0.00 -1.96 0.61 119.26 120.63 1ulj h ALA 445 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ulj h ALA 445 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ulj h ALA 445 CO 0.04 -0.48 0.30 0.00 0.00 0.00 0.00 179.25 179.11 1ulj h ALA 446 N 0.93 1.81 -0.11 0.00 0.00 -1.93 -2.67 119.26 117.28 1ulj h ALA 446 Ca -0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1ulj h ALA 446 Cb 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ulj h ALA 446 CO 0.00 0.14 -0.80 1.25 0.00 0.00 0.00 179.25 179.84 1ulj h LEU 447 N 0.49 0.81 -1.68 0.00 5.85 -1.06 -3.05 115.31 116.66 1ulj h LEU 447 Ca 0.18 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1ulj h LEU 447 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1ulj h LEU 447 CO -0.04 1.33 -0.01 0.44 -0.34 0.00 0.00 178.44 179.82 1ulj h ASP 448 N 0.45 0.17 0.00 1.25 3.32 -0.57 -2.38 116.42 118.65 1ulj h ASP 448 Ca -0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ulj h ASP 448 Cb 1.42 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1ulj h ASP 448 CO 0.16 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1ulj n ALA 449 N -2.51 2.41 1.02 3.45 0.00 -1.04 -2.30 120.51 121.54 1ulj n ALA 449 Ca -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1ulj n ALA 449 Cb 0.16 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1ulj n ALA 449 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ulj n THR 450 N -0.80 0.00 -1.59 0.00 -2.24 -0.90 -4.98 114.28 103.77 1ulj n THR 450 Ca 0.12 -0.33 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 1ulj n THR 450 Cb 0.05 1.29 0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1ulj n THR 450 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ulj s ARG 451 N -2.33 2.37 0.47 -0.78 0.52 -0.97 -5.03 118.95 113.20 1ulj s ARG 451 Ca 0.22 1.81 -0.18 0.00 -0.52 0.00 0.00 55.73 57.06 1ulj s ARG 451 Cb 0.19 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.71 1ulj s ARG 451 CO 0.49 -1.67 0.95 -1.25 0.02 0.00 0.00 175.30 173.84 1ulj s PRO 452 N -3.73 4.05 0.00 3.54 0.04 -1.26 -5.12 135.00 132.51 1ulj s PRO 452 Ca 0.76 0.98 0.11 0.00 0.04 0.00 0.00 61.00 62.90 1ulj s PRO 452 Cb -0.30 -2.18 0.67 0.00 0.04 0.00 0.00 34.50 32.73 1ulj s PRO 452 CO 0.42 -0.15 1.11 0.00 0.04 0.00 0.00 177.00 178.42