#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 3.71 0.24 6.99 0.00 -1.26 -4.97 121.76 126.47 1ulj s ALA 18 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1ulj s ALA 18 Cb 0.00 -2.17 0.44 0.00 0.00 0.00 0.00 23.12 21.39 1ulj s ALA 18 CO 0.00 0.33 1.72 -0.44 0.00 0.00 0.00 175.76 177.36 1ulj h ASP 19 N 1.83 0.19 -0.30 0.00 5.19 -1.94 -1.98 116.42 119.40 1ulj h ASP 19 Ca -0.48 0.12 -0.17 0.00 -0.62 0.00 0.00 57.03 55.88 1ulj h ASP 19 Cb 1.19 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1ulj h ASP 19 CO 0.67 0.06 -0.45 0.00 -3.12 0.00 0.00 179.24 176.40 1ulj h ALA 20 N 1.56 0.57 -0.81 3.45 0.00 -1.99 -2.50 119.26 119.54 1ulj h ALA 20 Ca 0.41 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ulj h ALA 20 Cb 0.63 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ulj h ALA 20 CO -0.43 0.68 0.54 -0.44 0.00 0.00 0.00 179.25 179.60 1ulj h ASP 21 N 0.69 0.89 -0.15 0.00 3.32 -1.84 -2.73 116.42 116.61 1ulj h ASP 21 Ca 0.04 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1ulj h ASP 21 Cb 1.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1ulj h ASP 21 CO 0.10 0.62 -0.50 0.40 -1.72 0.00 0.00 179.24 178.14 1ulj h ILE 22 N 1.04 1.29 0.00 0.35 2.04 -1.15 -3.19 117.51 117.90 1ulj h ILE 22 Ca 0.31 -1.71 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 1ulj h ILE 22 Cb -0.02 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1ulj h ILE 22 CO -0.08 0.55 -0.32 0.00 0.00 0.00 0.00 178.15 178.29 1ulj h ALA 23 N 0.87 1.36 0.00 1.87 0.00 -1.17 -2.22 119.26 119.97 1ulj h ALA 23 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ulj h ALA 23 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ulj h ALA 23 CO 0.10 0.40 0.00 0.93 0.00 0.00 0.00 179.25 180.68 1ulj h GLU 24 N 0.00 0.00 0.00 0.00 5.08 -1.48 -3.13 114.58 115.05 1ulj h GLU 24 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ulj h GLU 24 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ulj h GLU 24 CO 0.04 0.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.85 1ulj h LEU 25 N 0.00 0.00 -8.21 1.33 3.38 -1.44 -3.43 115.31 106.94 1ulj h LEU 25 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1ulj h LEU 25 Cb 0.58 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.03 1ulj h LEU 25 CO 0.00 0.13 -0.82 -0.69 0.09 0.00 0.00 178.44 177.15 1ulj s VAL 26 N -4.69 1.17 -0.35 1.22 1.01 -1.18 -1.43 120.40 116.15 1ulj s VAL 26 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1ulj s VAL 26 Cb 0.16 -0.99 0.14 0.00 0.00 0.00 0.00 36.38 35.69 1ulj s VAL 26 CO 0.67 0.34 0.28 -0.62 0.00 0.00 0.00 175.10 175.77 1ulj s ASP 27 N -0.23 2.21 0.11 3.32 2.15 -0.58 -4.93 116.67 118.72 1ulj s ASP 27 Ca 0.03 -1.83 0.25 0.00 0.43 0.00 0.00 52.55 51.43 1ulj s ASP 27 Cb -0.07 0.03 0.95 0.00 -0.30 0.00 0.00 42.92 43.54 1ulj s ASP 27 CO -0.00 -0.30 1.76 -1.84 -0.17 0.00 0.00 175.17 174.62 1ulj n GLU 28 N 4.24 0.11 -0.01 4.34 0.28 -1.26 -0.42 120.64 127.92 1ulj n GLU 28 Ca 0.10 0.18 -0.13 0.00 -0.16 0.00 0.00 57.16 57.15 1ulj n GLU 28 Cb 0.41 -1.66 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 1ulj n GLU 28 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1ulj h ARG 29 N 0.00 -0.02 -0.01 3.44 1.12 -1.97 -3.32 114.38 113.62 1ulj h ARG 29 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1ulj h ARG 29 Cb 0.51 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1ulj h ARG 29 CO 0.00 0.50 -0.55 0.25 -3.11 0.00 0.00 179.97 177.06 1ulj n THR 30 N -4.85 0.00 -2.17 0.20 -2.24 -1.24 -5.05 114.28 98.93 1ulj n THR 30 Ca -0.09 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 1ulj n THR 30 Cb 0.27 1.16 0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1ulj n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ulj n GLY 31 N 1.34 -0.56 2.84 3.38 0.00 0.43 -4.68 105.19 107.94 1ulj n GLY 31 Ca 0.07 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.11 0.17 -0.10 1.61 1.81 -0.17 -1.06 118.95 118.11 1ulj s ARG 32 Ca 0.04 0.04 0.03 0.00 -1.72 0.00 0.00 55.73 54.11 1ulj s ARG 32 Cb -0.00 -0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.21 1ulj s ARG 32 CO 0.31 -0.07 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.18 1ulj s LEU 33 N 0.60 1.82 -0.14 2.53 1.43 -0.95 -1.52 118.68 122.44 1ulj s LEU 33 Ca -0.06 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1ulj s LEU 33 Cb -0.08 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 1ulj s LEU 33 CO -0.01 0.06 1.04 -0.62 0.23 0.00 0.00 176.35 177.05 1ulj s ASP 34 N 0.71 7.17 0.30 2.29 3.68 -0.51 0.08 116.67 130.40 1ulj s ASP 34 Ca -0.12 1.51 0.21 0.00 2.13 0.00 0.00 52.55 56.28 1ulj s ASP 34 Cb -0.16 -2.55 1.10 0.00 -1.45 0.00 0.00 42.92 39.86 1ulj s ASP 34 CO 0.03 -0.54 1.65 -2.65 0.13 0.00 0.00 175.17 173.78 1ulj n PRO 35 N 5.50 0.14 0.16 4.34 -0.02 -1.26 -2.34 135.00 141.51 1ulj n PRO 35 Ca 0.10 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1ulj n PRO 35 Cb 0.47 -1.93 0.55 0.00 -0.02 0.00 0.00 33.50 32.58 1ulj n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ulj h ARG 36 N 0.00 0.00 0.00 -0.52 3.08 -1.93 -2.19 114.38 112.82 1ulj h ARG 36 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ulj h ARG 36 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ulj h ARG 36 CO 0.00 0.00 -0.03 -0.84 -1.07 0.00 0.00 179.97 178.03 1ulj h ILE 37 N 0.00 0.22 -0.00 2.04 3.07 -1.86 -2.02 117.51 118.97 1ulj h ILE 37 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1ulj h ILE 37 Cb 0.27 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 1ulj h ILE 37 CO 0.00 0.03 -0.71 -1.22 -1.05 0.00 0.00 178.15 175.20 1ulj n TYR 38 N -3.34 0.00 0.00 0.16 4.01 -0.82 -4.67 117.16 112.50 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 0.16 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.37 0.00 -2.16 -0.72 -2.24 -0.93 -4.52 114.28 102.33 1ulj n THR 39 Ca 0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1ulj n THR 39 Cb 0.34 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1ulj n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulj s ASP 40 N -3.07 6.81 0.28 3.42 -1.08 -0.80 -4.79 116.67 117.43 1ulj s ASP 40 Ca 0.00 2.28 0.05 0.00 -0.52 0.00 0.00 52.55 54.36 1ulj s ASP 40 Cb 0.00 -2.58 0.39 0.00 -1.46 0.00 0.00 42.92 39.27 1ulj s ASP 40 CO 0.00 -0.70 1.66 -0.33 0.52 0.00 0.00 175.17 176.32 1ulj h GLU 41 N 7.30 0.27 -0.15 4.34 4.39 -1.98 -2.59 114.58 126.16 1ulj h GLU 41 Ca -0.41 -0.14 -0.21 0.00 0.34 0.00 0.00 59.36 58.95 1ulj h GLU 41 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1ulj h GLU 41 CO 0.88 0.67 -0.73 0.00 -1.16 0.00 0.00 179.01 178.68 1ulj h ALA 42 N 1.31 0.43 -0.06 3.43 0.00 -1.99 -1.95 119.26 120.43 1ulj h ALA 42 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1ulj h ALA 42 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ulj h ALA 42 CO 0.07 0.71 -0.29 -0.07 0.00 0.00 0.00 179.25 179.67 1ulj h LEU 43 N 0.48 0.11 -0.06 0.00 3.38 -1.94 -2.68 115.31 114.60 1ulj h LEU 43 Ca -0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ulj h LEU 43 Cb 1.34 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ulj h LEU 43 CO 0.14 0.40 -0.01 0.22 0.09 0.00 0.00 178.44 179.28 1ulj h TYR 44 N 0.10 0.12 -1.00 1.13 3.20 -1.12 0.12 116.97 119.51 1ulj h TYR 44 Ca 0.02 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1ulj h TYR 44 Cb 0.56 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 1ulj h TYR 44 CO 0.00 0.45 0.64 0.93 -1.64 0.00 0.00 178.16 178.53 1ulj h GLU 45 N -0.24 1.01 -0.14 1.82 5.08 -1.30 -1.27 114.58 119.54 1ulj h GLU 45 Ca 0.01 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1ulj h GLU 45 Cb 0.41 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ulj h GLU 45 CO 0.01 0.67 -0.56 0.37 -1.00 0.00 0.00 179.01 178.49 1ulj h GLN 46 N 1.04 0.43 -0.62 2.33 4.15 -1.31 -2.89 115.11 118.23 1ulj h GLN 46 Ca 0.48 -0.27 0.06 0.00 0.77 0.00 0.00 58.65 59.69 1ulj h GLN 46 Cb 0.41 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.08 1ulj h GLN 46 CO -0.24 0.87 0.33 0.93 -1.93 0.00 0.00 178.83 178.79 1ulj h GLU 47 N 0.33 0.59 -0.86 1.69 5.08 0.36 0.16 114.58 121.91 1ulj h GLU 47 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1ulj h GLU 47 Cb 1.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1ulj h GLU 47 CO 0.10 0.39 0.50 -0.07 -1.00 0.00 0.00 179.01 178.92 1ulj h LEU 48 N 0.60 1.05 0.17 1.33 3.38 -1.16 0.62 115.31 121.31 1ulj h LEU 48 Ca 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ulj h LEU 48 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ulj h LEU 48 CO -0.20 0.83 -0.08 -0.08 0.09 0.00 0.00 178.44 179.00 1ulj h GLU 49 N 1.20 -0.22 0.00 1.13 4.81 -1.32 0.59 114.58 120.77 1ulj h GLU 49 Ca 0.31 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1ulj h GLU 49 Cb -0.01 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ulj h GLU 49 CO -0.05 0.18 -0.52 0.54 -0.73 0.00 0.00 179.01 178.42 1ulj n ARG 50 N -4.92 0.01 0.01 1.92 1.74 0.53 -3.27 116.66 112.68 1ulj n ARG 50 Ca -0.07 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1ulj n ARG 50 Cb 0.25 -1.51 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.53 0.29 0.23 0.55 5.41 0.14 -4.57 119.36 119.88 1ulj n ILE 51 Ca 0.05 0.14 0.10 0.00 1.00 0.00 0.00 62.75 64.04 1ulj n ILE 51 Cb 0.34 -1.22 0.52 0.00 -0.71 0.00 0.00 39.64 38.57 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 -0.04 0.00 -0.00 1.39 -1.00 -1.40 -0.54 116.94 115.35 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 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1ulj h PHE 52 CO -0.02 0.23 -0.06 0.41 -1.61 0.00 0.00 178.31 177.26 1ulj n GLY 53 N -0.15 -1.26 0.67 -1.45 0.00 0.20 -4.16 105.19 99.04 1ulj n GLY 53 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.28 0.00 -3.82 1.61 1.85 -1.02 -3.96 116.66 110.04 1ulj n ARG 54 Ca 0.12 -0.70 -0.21 0.00 -1.00 0.00 0.00 57.85 56.06 1ulj n ARG 54 Cb 0.28 -0.11 -0.04 0.00 -1.05 0.00 0.00 32.46 31.54 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 -0.70 5.20 -0.02 2.89 0.01 -0.24 -4.83 113.70 116.02 1ulj s SER 55 Ca 0.04 -0.55 -0.22 0.00 1.31 0.00 0.00 55.95 56.53 1ulj s SER 55 Cb 0.04 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1ulj s SER 55 CO -0.02 -0.38 0.65 0.26 0.41 0.00 0.00 173.24 174.16 1ulj s TRP 56 N -2.33 3.66 -0.01 2.43 0.52 -1.26 -4.25 118.94 117.70 1ulj s TRP 56 Ca 0.41 1.24 0.01 0.00 0.02 0.00 0.00 56.10 57.79 1ulj s TRP 56 Cb -0.05 -2.69 0.00 0.00 -1.15 0.00 0.00 33.47 29.58 1ulj s TRP 56 CO 0.26 0.26 -0.03 -0.51 0.02 0.00 0.00 176.95 176.95 1ulj s LEU 57 N 0.13 1.85 0.10 2.99 1.43 -0.35 -4.54 118.68 120.29 1ulj s LEU 57 Ca 0.34 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1ulj s LEU 57 Cb -0.18 -0.21 -0.10 0.00 0.03 0.00 0.00 46.19 45.72 1ulj s LEU 57 CO 0.18 0.02 1.85 -0.22 0.23 0.00 0.00 176.35 178.41 1ulj s LEU 58 N 0.13 4.41 -0.01 1.79 2.96 -1.26 -1.51 118.68 125.18 1ulj s LEU 58 Ca -0.01 2.73 0.22 0.00 -0.22 0.00 0.00 54.13 56.85 1ulj s LEU 58 Cb -0.04 -3.56 -0.29 0.00 0.50 0.00 0.00 46.19 42.80 1ulj s LEU 58 CO -0.00 -1.01 0.60 0.23 -1.32 0.00 0.00 176.35 174.85 1ulj n MET 59 N 6.09 0.50 0.00 1.98 2.81 -0.33 -4.90 117.12 123.27 1ulj n MET 59 Ca 0.18 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1ulj n MET 59 Cb 0.39 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.31 0.49 3.14 3.03 0.00 -1.22 -4.94 105.19 107.01 1ulj n GLY 60 Ca -0.02 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.01 1.17 0.27 1.61 2.46 -1.26 -0.67 115.29 115.87 1ulj s HIS 61 Ca 0.00 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1ulj s HIS 61 Cb 0.00 -0.68 0.54 0.00 -0.13 0.00 0.00 32.58 32.31 1ulj s HIS 61 CO 0.00 0.03 1.81 0.93 -2.47 0.00 0.00 174.74 175.04 1ulj h GLU 62 N 4.70 0.82 0.00 2.88 5.08 -0.96 -2.15 114.58 124.95 1ulj h GLU 62 Ca -0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1ulj h GLU 62 Cb 1.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ulj h GLU 62 CO 0.42 0.54 0.00 0.25 -1.00 0.00 0.00 179.01 179.22 1ulj n THR 63 N -4.72 0.17 0.14 1.13 -2.24 -1.26 -2.55 114.28 104.96 1ulj n THR 63 Ca 0.18 0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 62.00 1ulj n THR 63 Cb 0.39 -0.59 0.23 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.05 -2.16 -0.78 4.20 -1.73 -3.34 115.11 111.34 1ulj h GLN 64 Ca 0.00 -0.03 -0.59 0.00 0.06 0.00 0.00 58.65 58.10 1ulj h GLN 64 Cb 0.41 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.77 1ulj h GLN 64 CO 0.00 0.56 -0.72 0.44 -0.67 0.00 0.00 178.83 178.44 1ulj n ILE 65 N -3.92 1.84 0.09 2.54 -5.35 -1.05 -4.95 119.36 108.56 1ulj n ILE 65 Ca -0.02 -5.05 -0.15 0.00 -0.27 0.00 0.00 62.75 57.27 1ulj n ILE 65 Cb 0.54 -1.88 -0.10 0.00 -1.74 0.00 0.00 39.64 36.46 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 3.90 0.31 -6.32 6.28 0.13 -1.69 -3.43 132.00 131.17 1ulj h PRO 66 Ca 0.16 -0.44 -0.48 0.00 -0.87 0.00 0.00 66.00 64.37 1ulj h PRO 66 Cb 0.69 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ulj h PRO 66 CO 0.76 1.16 -0.32 0.15 -0.23 0.00 0.00 178.00 179.52 1ulj s LYS 67 N -2.88 3.47 0.21 0.86 1.02 -1.26 -5.04 119.74 116.11 1ulj s LYS 67 Ca -0.04 -0.51 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 1ulj s LYS 67 Cb 0.08 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 1ulj s LYS 67 CO 0.87 0.31 1.54 0.00 -0.92 0.00 0.00 175.35 177.16 1ulj s ALA 68 N -2.09 3.74 0.00 5.17 0.00 -1.26 -1.75 121.76 125.57 1ulj s ALA 68 Ca 0.37 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1ulj s ALA 68 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ulj s ALA 68 CO 0.32 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1ulj n GLY 69 N 3.14 1.14 3.69 0.00 0.00 -0.22 -4.86 105.19 108.08 1ulj n GLY 69 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.21 6.99 0.15 1.61 -0.00 -0.72 -1.87 116.67 120.62 1ulj s ASP 70 Ca 0.00 1.92 0.08 0.00 -0.00 0.00 0.00 52.55 54.54 1ulj s ASP 70 Cb 0.00 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1ulj s ASP 70 CO 0.00 -0.62 -0.17 0.72 -0.00 0.00 0.00 175.17 175.09 1ulj s PHE 71 N 2.24 1.72 0.04 4.23 -0.71 -0.67 -1.13 117.98 123.69 1ulj s PHE 71 Ca 0.58 -0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 55.96 1ulj s PHE 71 Cb -0.27 -0.87 -0.03 0.00 -1.21 0.00 0.00 43.02 40.65 1ulj s PHE 71 CO 0.24 0.28 0.01 0.00 -1.34 0.00 0.00 175.22 174.41 1ulj s MET 72 N -2.75 0.55 0.36 1.99 0.23 -0.55 -2.27 119.30 116.86 1ulj s MET 72 Ca 0.14 -0.96 0.01 0.00 -1.03 0.00 0.00 55.69 53.85 1ulj s MET 72 Cb -0.06 0.20 -0.03 0.00 -1.53 0.00 0.00 34.83 33.42 1ulj s MET 72 CO 0.06 -0.12 0.55 0.95 -2.03 0.00 0.00 175.02 174.43 1ulj s THR 73 N -3.06 4.91 0.10 3.16 -4.23 -0.51 -1.21 115.64 114.80 1ulj s THR 73 Ca -0.01 -0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1ulj s THR 73 Cb 0.02 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1ulj s THR 73 CO -0.07 -0.50 0.20 -3.20 -0.54 0.00 0.00 174.62 170.51 1ulj n ASN 74 N -1.80 -0.57 -4.16 3.99 2.85 -0.94 -4.90 115.26 109.73 1ulj n ASN 74 Ca -0.04 -1.41 -0.19 0.00 -0.11 0.00 0.00 54.58 52.82 1ulj n ASN 74 Cb 0.57 0.96 -0.13 0.00 1.24 0.00 0.00 39.78 42.41 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 -7.05 1.23 -0.37 1.20 2.02 -1.26 -1.15 117.35 111.97 1ulj s TYR 75 Ca 0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1ulj s TYR 75 Cb -0.01 -0.71 0.10 0.00 -0.40 0.00 0.00 41.96 40.94 1ulj s TYR 75 CO 0.03 0.05 0.11 -1.64 -1.57 0.00 0.00 175.55 172.53 1ulj s MET 76 N -1.42 1.71 7.68 -0.62 -1.94 -0.14 -4.95 119.30 119.62 1ulj s MET 76 Ca -0.00 -1.84 0.00 0.00 -1.71 0.00 0.00 55.69 52.14 1ulj s MET 76 Cb -0.09 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.39 1ulj s MET 76 CO 0.02 -0.99 0.00 0.41 -0.01 0.00 0.00 175.02 174.45 1ulj n GLY 77 N 4.40 3.13 1.30 -0.03 0.00 -1.26 -1.97 105.19 110.75 1ulj n GLY 77 Ca 0.01 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 13.35 3.67 -3.27 1.61 1.02 -1.26 -4.43 120.64 131.32 1ulj n GLU 78 Ca 0.00 -2.87 -0.41 0.00 -0.02 0.00 0.00 57.16 53.86 1ulj n GLU 78 Cb 0.00 -1.92 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 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 -1.30 6.29 0.28 1.62 1.11 -0.83 -5.07 116.67 118.78 1ulj s ASP 79 Ca 0.46 -0.05 -0.28 0.00 0.18 0.00 0.00 52.55 52.85 1ulj s ASP 79 Cb 0.34 -2.25 -0.09 0.00 1.07 0.00 0.00 42.92 41.98 1ulj s ASP 79 CO 0.15 -0.44 1.00 -2.16 1.18 0.00 0.00 175.17 174.89 1ulj s PRO 80 N 2.31 4.67 0.10 8.23 0.04 -1.26 -0.97 135.00 148.12 1ulj s PRO 80 Ca 0.17 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1ulj s PRO 80 Cb -0.16 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1ulj s PRO 80 CO 0.13 0.31 -0.08 0.14 0.04 0.00 0.00 177.00 177.54 1ulj s VAL 81 N -1.31 0.83 -0.17 -0.36 -7.23 -0.30 -1.29 120.40 110.55 1ulj s VAL 81 Ca 0.46 -1.77 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1ulj s VAL 81 Cb -0.26 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1ulj s VAL 81 CO 0.32 -0.70 0.02 -0.04 -0.31 0.00 0.00 175.10 174.39 1ulj s MET 82 N -3.24 3.85 -0.33 4.82 -1.94 0.61 -2.22 119.30 120.85 1ulj s MET 82 Ca 0.08 -0.42 -0.07 0.00 -1.71 0.00 0.00 55.69 53.57 1ulj s MET 82 Cb 0.01 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.78 1ulj s MET 82 CO -0.02 0.26 0.11 0.08 -0.01 0.00 0.00 175.02 175.44 1ulj s VAL 83 N 0.36 4.00 -0.06 -6.03 1.01 -0.35 -1.72 120.40 117.61 1ulj s VAL 83 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1ulj s VAL 83 Cb -0.13 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1ulj s VAL 83 CO 0.01 -0.08 -0.01 -0.69 0.00 0.00 0.00 175.10 174.33 1ulj s VAL 84 N 1.47 0.40 0.02 2.92 1.01 -0.40 -1.48 120.40 124.34 1ulj s VAL 84 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1ulj s VAL 84 Cb -0.18 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ulj s VAL 84 CO 0.03 0.25 1.23 -0.60 0.00 0.00 0.00 175.10 176.01 1ulj s ARG 85 N 1.72 4.39 0.65 2.72 6.06 -0.29 -1.83 118.95 132.37 1ulj s ARG 85 Ca 0.01 1.77 -0.02 0.00 -2.50 0.00 0.00 55.73 54.99 1ulj s ARG 85 Cb -0.13 -3.43 0.07 0.00 0.06 0.00 0.00 34.95 31.52 1ulj s ARG 85 CO -0.04 -0.36 0.92 -0.65 -2.50 0.00 0.00 175.30 172.67 1ulj s GLN 86 N 1.56 2.16 0.47 5.12 -1.52 0.83 -1.06 119.66 127.22 1ulj s GLN 86 Ca 0.59 -0.70 0.22 0.00 -1.95 0.00 0.00 55.36 53.51 1ulj s GLN 86 Cb -0.28 -2.34 1.15 0.00 -0.22 0.00 0.00 33.01 31.32 1ulj s GLN 86 CO 0.27 -1.11 1.97 0.87 -0.25 0.00 0.00 175.29 177.04 1ulj h LYS 87 N -0.33 0.00 -0.28 2.91 1.57 -1.95 -2.70 116.57 115.79 1ulj h LYS 87 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1ulj h LYS 87 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1ulj h LYS 87 CO 0.51 0.20 0.00 0.27 -0.57 0.00 0.00 179.45 179.86 1ulj n ASN 88 N -3.80 2.26 0.00 0.86 0.23 -1.26 -4.93 115.26 108.61 1ulj n ASN 88 Ca -0.02 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 1ulj n ASN 88 Cb 0.30 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1ulj n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ulj n GLY 89 N 1.24 2.31 3.61 4.83 0.00 -1.02 -5.04 105.19 111.11 1ulj n GLY 89 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 1.30 -3.70 1.61 2.13 -1.26 -4.66 120.64 114.06 1ulj n GLU 90 Ca 0.00 0.47 -0.37 0.00 0.66 0.00 0.00 57.16 57.92 1ulj n GLU 90 Cb 0.00 -2.05 -0.12 0.00 0.27 0.00 0.00 31.44 29.54 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 -1.30 4.60 -0.01 6.31 1.01 -1.26 -0.12 121.20 130.41 1ulj s ILE 91 Ca 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1ulj s ILE 91 Cb -0.54 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ulj s ILE 91 CO 0.56 0.27 0.11 -0.13 0.00 0.00 0.00 174.94 175.75 1ulj s ARG 92 N 1.65 3.18 -0.13 2.79 1.81 -0.76 -4.74 118.95 122.75 1ulj s ARG 92 Ca 0.06 -0.42 0.01 0.00 -1.72 0.00 0.00 55.73 53.65 1ulj s ARG 92 Cb -0.16 -2.93 0.02 0.00 -0.45 0.00 0.00 34.95 31.43 1ulj s ARG 92 CO 0.06 0.66 -0.13 0.08 -0.68 0.00 0.00 175.30 175.29 1ulj s VAL 93 N -1.21 1.46 0.02 3.52 1.01 -1.25 -1.28 120.40 122.67 1ulj s VAL 93 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ulj s VAL 93 Cb -0.12 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1ulj s VAL 93 CO 0.14 0.44 -0.03 0.72 0.00 0.00 0.00 175.10 176.37 1ulj s PHE 94 N 1.36 0.27 0.18 5.22 -0.12 -0.70 -0.69 117.98 123.49 1ulj s PHE 94 Ca 0.01 -0.42 -0.33 0.00 -0.05 0.00 0.00 56.93 56.14 1ulj s PHE 94 Cb -0.13 -0.18 -0.15 0.00 -0.63 0.00 0.00 43.02 41.92 1ulj s PHE 94 CO -0.07 -0.14 1.19 -0.11 -0.05 0.00 0.00 175.22 176.04 1ulj n LEU 95 N 1.88 1.70 -2.93 -1.99 7.94 -0.47 -0.28 117.00 122.84 1ulj n LEU 95 Ca -0.22 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.51 1ulj n LEU 95 Cb 0.56 -1.24 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 1ulj n LEU 95 CO 0.21 -1.21 2.39 -3.20 -1.11 0.00 0.00 177.39 174.47 1ulj n ASN 96 N 2.05 7.38 -3.63 1.96 4.05 -0.41 -4.72 115.26 121.93 1ulj n ASN 96 Ca 0.15 -2.84 -0.19 0.00 0.45 0.00 0.00 54.58 52.15 1ulj n ASN 96 Cb 0.25 -1.41 -0.16 0.00 1.23 0.00 0.00 39.78 39.70 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 0.19 0.05 0.32 1.20 0.74 -1.26 -3.54 119.66 117.35 1ulj s GLN 97 Ca 0.63 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 56.13 1ulj s GLN 97 Cb 0.25 -0.68 -0.10 0.00 1.10 0.00 0.00 33.01 33.57 1ulj s GLN 97 CO -0.09 -0.42 1.33 0.00 -0.55 0.00 0.00 175.29 175.56 1ulj n ARG 99 N 1.02 0.04 0.00 0.00 1.74 -1.26 -1.98 116.66 116.22 1ulj n ARG 99 Ca 0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1ulj n ARG 99 Cb 0.41 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1ulj n ARG 99 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1ulj n HIS 100 N -1.59 0.00 -2.29 -1.55 -0.00 -1.26 -4.64 115.22 103.88 1ulj n HIS 100 Ca 0.06 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.26 1ulj n HIS 100 Cb 0.35 -0.47 0.01 0.00 -0.12 0.00 0.00 29.99 29.76 1ulj n HIS 100 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1ulj n ARG 101 N -1.91 0.00 -0.36 1.57 3.00 -1.26 -5.04 116.66 112.67 1ulj n ARG 101 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 57.85 56.27 1ulj n ARG 101 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.28 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 0.29 0.70 3.74 5.14 0.00 -0.84 -5.03 105.19 109.18 1ulj n GLY 102 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.63 2.44 -0.23 1.61 1.75 -1.26 -4.42 119.30 118.56 1ulj s MET 103 Ca 0.00 1.75 -0.29 0.00 -1.25 0.00 0.00 55.69 55.90 1ulj s MET 103 Cb 0.00 -1.87 0.00 0.00 2.84 0.00 0.00 34.83 35.80 1ulj s MET 103 CO 0.00 -1.60 1.15 0.50 -0.65 0.00 0.00 175.02 174.42 1ulj s ARG 104 N -3.76 4.18 0.40 4.11 3.52 -1.26 -0.46 118.95 125.68 1ulj s ARG 104 Ca 0.75 1.41 0.08 0.00 -0.13 0.00 0.00 55.73 57.84 1ulj s ARG 104 Cb -0.29 -3.73 0.85 0.00 -1.56 0.00 0.00 34.95 30.23 1ulj s ARG 104 CO 0.42 -0.75 2.00 0.82 -0.81 0.00 0.00 175.30 176.98 1ulj h ILE 105 N 5.56 1.03 -2.95 4.11 2.04 -1.90 -3.42 117.51 121.97 1ulj h ILE 105 Ca -0.23 -0.21 -0.18 0.00 1.00 0.00 0.00 64.86 65.25 1ulj h ILE 105 Cb 1.08 0.37 -0.29 0.00 -0.74 0.00 0.00 36.82 37.24 1ulj h ILE 105 CO 0.99 0.11 -0.45 0.00 0.00 0.00 0.00 178.15 178.80 1ulj n ARG 107 N 4.20 1.77 -2.52 0.00 3.00 -1.26 -4.95 116.66 116.90 1ulj n ARG 107 Ca -0.25 -0.77 -0.32 0.00 -0.01 0.00 0.00 57.85 56.51 1ulj n ARG 107 Cb 0.54 -1.22 -0.03 0.00 0.00 0.00 0.00 32.46 31.74 1ulj n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ulj s ALA 108 N -1.73 3.14 0.23 7.54 0.00 -1.26 -4.99 121.76 124.69 1ulj s ALA 108 Ca 0.12 0.08 0.13 0.00 0.00 0.00 0.00 51.96 52.29 1ulj s ALA 108 Cb 0.12 -3.01 0.42 0.00 0.00 0.00 0.00 23.12 20.64 1ulj s ALA 108 CO 0.36 -0.17 1.63 -0.44 0.00 0.00 0.00 175.76 177.13 1ulj h ASP 109 N 1.01 0.00 -5.93 0.00 3.45 -1.96 -3.43 116.42 109.56 1ulj h ASP 109 Ca -0.47 0.00 0.38 0.00 0.43 0.00 0.00 57.03 57.37 1ulj h ASP 109 Cb 1.19 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.84 1ulj h ASP 109 CO 0.62 0.57 0.96 -0.83 -1.57 0.00 0.00 179.24 178.98 1ulj s GLY 110 N -4.44 -0.36 0.00 2.75 0.00 -1.26 -1.42 107.32 102.58 1ulj s GLY 110 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1ulj s GLY 110 CO 0.74 2.65 0.00 0.61 0.00 0.00 0.00 173.10 177.10 1ulj n GLY 111 N -0.68 -0.22 2.91 0.20 0.00 -0.96 -4.99 105.19 101.45 1ulj n GLY 111 Ca -0.04 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 1.51 0.04 1.61 3.84 -1.26 -1.67 114.94 115.00 1ulj s ASN 112 Ca 0.00 -0.20 0.03 0.00 0.21 0.00 0.00 52.86 52.90 1ulj s ASN 112 Cb 0.00 -0.62 -0.02 0.00 -0.55 0.00 0.00 41.25 40.06 1ulj s ASN 112 CO 0.00 -0.07 -0.10 0.00 -2.79 0.00 0.00 177.10 174.15 1ulj s ALA 113 N 1.18 0.75 -0.26 1.71 0.00 -0.78 -4.98 121.76 119.37 1ulj s ALA 113 Ca -0.06 -0.72 0.23 0.00 0.00 0.00 0.00 51.96 51.40 1ulj s ALA 113 Cb -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1ulj s ALA 113 CO -0.02 0.07 0.98 1.63 0.00 0.00 0.00 175.76 178.42 1ulj n LYS 114 N 1.76 0.56 -3.74 0.00 4.01 -1.26 -4.47 118.16 115.02 1ulj n LYS 114 Ca -0.20 0.06 -0.02 0.00 -0.51 0.00 0.00 58.31 57.64 1ulj n LYS 114 Cb 0.55 -1.75 -0.01 0.00 -0.51 0.00 0.00 35.03 33.31 1ulj n LYS 114 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1ulj s SER 115 N -5.03 -0.12 -0.03 4.39 1.04 -1.26 -4.30 113.70 108.38 1ulj s SER 115 Ca -0.01 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1ulj s SER 115 Cb 0.11 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ulj s SER 115 CO 0.80 -0.76 -0.15 -0.36 0.98 0.00 0.00 173.24 173.75 1ulj s PHE 116 N -2.93 1.48 -0.08 5.02 0.40 -0.97 -4.98 117.98 115.94 1ulj s PHE 116 Ca 0.14 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1ulj s PHE 116 Cb -0.00 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 1ulj s PHE 116 CO 0.01 -0.12 -0.23 0.99 0.70 0.00 0.00 175.22 176.57 1ulj s THR 117 N 0.00 2.21 0.10 0.64 2.01 -1.26 -1.36 115.64 117.98 1ulj s THR 117 Ca -0.02 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.68 1ulj s THR 117 Cb -0.10 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1ulj s THR 117 CO 0.01 0.56 1.54 0.00 -0.69 0.00 0.00 174.62 176.04 1ulj n SER 119 N 4.72 0.00 -0.05 0.00 3.41 -1.26 -1.89 113.62 118.55 1ulj n SER 119 Ca 0.14 0.49 -0.01 0.00 -0.26 0.00 0.00 58.87 59.23 1ulj n SER 119 Cb 0.41 -0.50 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.00 0.00 0.00 7.33 -0.00 -1.96 -3.43 116.97 118.91 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 1ulj h TYR 120 CO 0.00 0.00 -0.04 0.72 -0.00 0.00 0.00 178.16 178.84 1ulj n HIS 121 N -4.45 0.00 -1.16 -3.82 8.25 -1.26 -5.05 115.22 107.73 1ulj n HIS 121 Ca -0.02 -0.44 -0.05 0.00 -0.26 0.00 0.00 57.72 56.95 1ulj n HIS 121 Cb 0.08 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.53 0.71 3.71 -1.41 0.00 -0.79 -4.64 105.19 102.24 1ulj n GLY 122 Ca 0.03 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.17 2.98 0.06 1.61 0.52 -1.26 -4.46 118.94 116.22 1ulj s TRP 123 Ca 0.00 0.68 0.04 0.00 0.02 0.00 0.00 56.10 56.83 1ulj s TRP 123 Cb 0.00 -3.84 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 1ulj s TRP 123 CO 0.00 -3.14 0.00 0.00 0.02 0.00 0.00 176.95 173.84 1ulj s ALA 124 N 1.51 3.29 0.05 0.98 0.00 -0.32 -1.85 121.76 125.43 1ulj s ALA 124 Ca 0.69 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1ulj s ALA 124 Cb -0.40 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1ulj s ALA 124 CO 0.31 0.68 -0.11 0.71 0.00 0.00 0.00 175.76 177.35 1ulj s TYR 125 N -1.23 0.97 1.01 0.00 1.51 -0.46 -1.37 117.35 117.77 1ulj s TYR 125 Ca 0.24 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 1ulj s TYR 125 Cb -0.12 -0.56 0.22 0.00 -0.11 0.00 0.00 41.96 41.39 1ulj s TYR 125 CO 0.15 -0.00 1.31 0.16 -1.11 0.00 0.00 175.55 176.06 1ulj s ASP 126 N -1.54 2.69 0.00 2.29 3.84 -0.49 -2.28 116.67 121.19 1ulj s ASP 126 Ca -0.05 0.27 0.10 0.00 -0.00 0.00 0.00 52.55 52.88 1ulj s ASP 126 Cb -0.09 -0.31 0.50 0.00 -1.38 0.00 0.00 42.92 41.64 1ulj s ASP 126 CO 0.01 -3.00 1.17 0.35 -0.00 0.00 0.00 175.17 173.71 1ulj n THR 127 N -3.94 0.67 0.44 2.11 -2.24 -1.26 -1.72 114.28 108.33 1ulj n THR 127 Ca 0.16 0.17 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 1ulj n THR 127 Cb 0.59 -1.01 0.13 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.45 1.11 2.07 3.38 0.00 -1.26 -4.80 105.19 105.24 1ulj n GLY 128 Ca 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 1.09 0.42 3.76 -0.02 0.00 -0.70 -4.92 105.19 104.81 1ulj n GLY 129 Ca 0.13 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.91 7.04 -0.34 1.61 0.01 -1.26 -3.88 114.94 115.19 1ulj s ASN 130 Ca 0.00 1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 53.10 1ulj s ASN 130 Cb 0.00 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 1ulj s ASN 130 CO 0.00 0.07 1.48 -0.22 -1.51 0.00 0.00 177.10 176.92 1ulj s LEU 131 N -0.11 3.69 -0.06 0.60 2.96 -1.26 -1.40 118.68 123.11 1ulj s LEU 131 Ca 0.33 1.11 0.16 0.00 -0.22 0.00 0.00 54.13 55.51 1ulj s LEU 131 Cb -0.19 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.73 1ulj s LEU 131 CO 0.19 -1.37 0.28 1.33 -1.32 0.00 0.00 176.35 175.46 1ulj n VAL 132 N 6.83 0.27 -3.55 1.68 0.24 -0.47 -4.57 118.33 118.77 1ulj n VAL 132 Ca 0.17 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1ulj n VAL 132 Cb 0.47 -0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 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 -4.16 -0.48 -0.07 -1.34 1.04 -1.17 -5.01 113.70 102.51 1ulj s SER 133 Ca -0.06 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1ulj s SER 133 Cb 0.09 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.76 1ulj s SER 133 CO 0.67 -0.76 0.02 -0.69 0.98 0.00 0.00 173.24 173.47 1ulj s VAL 134 N -2.59 0.24 0.24 5.02 1.01 -1.26 -1.17 120.40 121.89 1ulj s VAL 134 Ca -0.04 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 1ulj s VAL 134 Cb -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 36.38 35.78 1ulj s VAL 134 CO -0.03 0.19 1.31 -2.65 0.00 0.00 0.00 175.10 173.92 1ulj n PRO 135 N 5.19 1.81 -3.73 2.72 -0.02 -1.26 -2.34 135.00 137.36 1ulj n PRO 135 Ca -0.06 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 1ulj n PRO 135 Cb 0.50 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.47 -1.87 -0.11 6.00 3.72 -1.26 -4.90 117.46 120.51 1ulj n PHE 136 Ca 0.11 0.80 -0.06 0.00 -0.05 0.00 0.00 57.45 58.25 1ulj n PHE 136 Cb 0.31 -4.22 0.12 0.00 -0.94 0.00 0.00 39.48 34.75 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 -1.84 0.80 0.47 -1.08 4.81 -1.80 -2.67 114.58 113.27 1ulj h GLU 137 Ca -0.62 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.33 1ulj h GLU 137 Cb 1.36 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1ulj h GLU 137 CO 0.57 0.86 -0.23 0.93 -0.73 0.00 0.00 179.01 180.41 1ulj h GLU 138 N 0.73 -0.61 0.05 1.92 5.08 -1.88 -0.78 114.58 119.08 1ulj h GLU 138 Ca 0.13 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1ulj h GLU 138 Cb 0.57 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1ulj h GLU 138 CO 0.03 -0.34 -0.43 -0.56 -1.00 0.00 0.00 179.01 176.72 1ulj h GLN 139 N -0.79 0.20 0.22 2.33 3.07 -1.98 -3.33 115.11 114.82 1ulj h GLN 139 Ca -0.06 -0.29 -0.31 0.00 0.09 0.00 0.00 58.65 58.08 1ulj h GLN 139 Cb 0.56 0.10 0.04 0.00 0.08 0.00 0.00 27.48 28.25 1ulj h GLN 139 CO 0.11 1.07 -1.35 0.00 0.09 0.00 0.00 178.83 178.76 1ulj h ALA 140 N 0.14 -0.13 -2.15 0.06 0.00 -1.56 -3.40 119.26 112.23 1ulj h ALA 140 Ca -0.07 -0.82 -0.58 0.00 0.00 0.00 0.00 54.91 53.44 1ulj h ALA 140 Cb 1.27 0.16 -0.41 0.00 0.00 0.00 0.00 17.79 18.80 1ulj h ALA 140 CO 0.08 0.64 -0.75 1.19 0.00 0.00 0.00 179.25 180.42 1ulj n PHE 141 N -3.79 2.59 0.05 0.00 3.01 -0.31 -4.97 117.46 114.05 1ulj n PHE 141 Ca -0.16 -3.98 -0.13 0.00 1.01 0.00 0.00 57.45 54.19 1ulj n PHE 141 Cb 1.04 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 39.94 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 3.96 -0.10 0.00 -1.08 0.13 -1.66 -3.22 132.00 130.03 1ulj h PRO 142 Ca 0.16 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1ulj h PRO 142 Cb 0.71 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1ulj h PRO 142 CO 0.73 0.12 -0.19 0.78 -0.23 0.00 0.00 178.00 179.22 1ulj h GLY 143 N -0.31 0.00 -6.72 1.56 0.00 -1.92 -3.48 103.07 92.21 1ulj h GLY 143 Ca -0.01 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.58 1ulj h GLY 143 CO 0.02 0.00 1.11 -0.10 0.00 0.00 0.00 176.54 177.57 1ulj n LEU 144 N -3.44 1.87 -4.44 3.11 7.94 -1.22 -4.92 117.00 115.90 1ulj n LEU 144 Ca -0.00 0.82 -0.44 0.00 -1.11 0.00 0.00 56.01 55.28 1ulj n LEU 144 Cb 0.37 -1.10 -0.02 0.00 0.53 0.00 0.00 43.42 43.20 1ulj n LEU 144 CO 0.32 -0.62 0.99 -0.13 -1.11 0.00 0.00 177.39 176.84 1ulj s ARG 145 N 4.74 3.69 0.58 1.96 0.52 -1.26 -4.90 118.95 124.28 1ulj s ARG 145 Ca 1.07 -1.97 0.29 0.00 -0.52 0.00 0.00 55.73 54.59 1ulj s ARG 145 Cb -1.14 -4.89 1.47 0.00 0.52 0.00 0.00 34.95 30.91 1ulj s ARG 145 CO 0.63 -1.72 1.89 0.87 0.02 0.00 0.00 175.30 176.99 1ulj h LYS 146 N 8.45 0.00 -0.00 3.54 1.57 -1.91 -0.63 116.57 127.59 1ulj h LYS 146 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1ulj h LYS 146 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1ulj h LYS 146 CO 1.10 0.00 -0.01 -0.85 -0.57 0.00 0.00 179.45 179.12 1ulj n GLU 147 N -3.76 0.82 0.00 3.15 0.00 -1.26 -2.77 120.64 116.82 1ulj n GLU 147 Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 57.16 57.29 1ulj n GLU 147 Cb 0.69 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.04 2.10 -0.09 -1.84 8.00 -0.24 -4.66 116.55 118.77 1ulj n ASP 148 Ca 0.20 -1.55 0.07 0.00 0.71 0.00 0.00 54.79 54.22 1ulj n ASP 148 Cb 0.18 0.34 0.10 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.29 0.00 -2.73 1.24 7.02 -1.11 -5.02 117.44 117.13 1ulj n TRP 149 Ca 0.09 -0.82 -0.29 0.00 -1.02 0.00 0.00 57.50 55.46 1ulj n TRP 149 Cb 0.44 -0.12 -0.02 0.00 -2.42 0.00 0.00 31.31 29.19 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 -2.39 1.77 0.62 6.99 0.00 -1.25 -4.52 107.32 108.55 1ulj s GLY 150 Ca 0.24 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 1ulj s GLY 150 CO 0.02 -0.12 1.28 2.56 0.00 0.00 0.00 173.10 176.84 1ulj s PRO 151 N -4.22 2.72 0.20 2.90 0.04 -1.25 -4.91 135.00 130.48 1ulj s PRO 151 Ca 0.50 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 1ulj s PRO 151 Cb -0.10 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 1ulj s PRO 151 CO 0.37 -1.45 1.21 -0.11 0.04 0.00 0.00 177.00 177.06 1ulj n LEU 152 N -1.74 1.96 -4.61 -3.56 7.94 -1.26 -4.69 117.00 111.04 1ulj n LEU 152 Ca 0.15 1.15 -0.34 0.00 -1.11 0.00 0.00 56.01 55.85 1ulj n LEU 152 Cb 0.48 -1.28 -0.11 0.00 0.53 0.00 0.00 43.42 43.05 1ulj n LEU 152 CO 0.47 -1.11 -0.34 -1.10 -1.11 0.00 0.00 177.39 174.20 1ulj s GLN 153 N -0.52 3.11 0.24 1.96 -1.52 -1.26 -1.37 119.66 120.29 1ulj s GLN 153 Ca 0.70 -0.47 0.01 0.00 -1.95 0.00 0.00 55.36 53.65 1ulj s GLN 153 Cb -0.78 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 1ulj s GLN 153 CO 0.52 0.57 0.42 0.00 -0.25 0.00 0.00 175.29 176.56 1ulj s ALA 154 N -0.54 3.83 0.20 6.09 0.00 0.13 -4.88 121.76 126.59 1ulj s ALA 154 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1ulj s ALA 154 Cb -0.12 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 20.97 1ulj s ALA 154 CO 0.02 0.29 1.08 1.03 0.00 0.00 0.00 175.76 178.18 1ulj s ARG 155 N -3.70 4.62 -0.03 0.00 0.52 -0.70 -4.43 118.95 115.23 1ulj s ARG 155 Ca 0.38 1.70 0.07 0.00 -0.52 0.00 0.00 55.73 57.37 1ulj s ARG 155 Cb -0.10 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1ulj s ARG 155 CO 0.31 0.13 -0.25 0.08 0.02 0.00 0.00 175.30 175.59 1ulj s VAL 156 N -0.45 2.13 -0.16 3.52 1.01 -1.26 -2.19 120.40 123.01 1ulj s VAL 156 Ca 0.48 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1ulj s VAL 156 Cb -0.29 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1ulj s VAL 156 CO 0.35 0.58 0.49 -1.61 0.00 0.00 0.00 175.10 174.92 1ulj s GLU 157 N -0.57 0.62 0.31 2.72 2.02 -1.00 -5.02 118.70 117.78 1ulj s GLU 157 Ca 0.09 0.59 0.07 0.00 0.02 0.00 0.00 54.97 55.74 1ulj s GLU 157 Cb -0.10 0.30 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 1ulj s GLU 157 CO -0.00 -0.09 0.24 0.95 0.02 0.00 0.00 175.26 176.37 1ulj s THR 158 N 0.04 3.72 -0.27 3.63 -4.23 -1.26 -1.20 115.64 116.07 1ulj s THR 158 Ca -0.02 -1.43 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1ulj s THR 158 Cb -0.03 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 70.71 1ulj s THR 158 CO 0.02 -0.23 0.23 -0.47 -0.54 0.00 0.00 174.62 173.63 1ulj s TYR 159 N -2.27 -0.21 -1.33 3.99 5.04 -0.48 -4.95 117.35 117.15 1ulj s TYR 159 Ca 0.38 -0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 1ulj s TYR 159 Cb -0.06 -0.57 0.02 0.00 0.35 0.00 0.00 41.96 41.70 1ulj s TYR 159 CO 0.26 -0.83 0.95 1.63 -1.34 0.00 0.00 175.55 176.21 1ulj n LYS 160 N 5.30 -6.24 0.00 4.97 4.76 -1.26 -2.01 118.16 123.67 1ulj n LYS 160 Ca -0.04 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 1ulj n LYS 160 Cb 0.46 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 28.04 1ulj n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ulj n GLY 161 N -1.56 2.97 3.74 0.72 0.00 -1.26 -4.62 105.19 105.18 1ulj n GLY 161 Ca -0.17 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 4.47 -0.11 0.99 1.43 -0.85 -0.26 118.68 124.34 1ulj s LEU 162 Ca 0.00 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1ulj s LEU 162 Cb 0.00 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 1ulj s LEU 162 CO 0.00 -0.32 0.24 -0.63 0.23 0.00 0.00 176.35 175.87 1ulj s ILE 163 N -0.21 5.34 0.11 -0.59 1.01 0.16 -1.38 121.20 125.63 1ulj s ILE 163 Ca 0.51 0.43 0.05 0.00 0.00 0.00 0.00 60.65 61.64 1ulj s ILE 163 Cb -0.32 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ulj s ILE 163 CO 0.37 0.54 -0.13 -0.36 0.00 0.00 0.00 174.94 175.36 1ulj s PHE 164 N -0.55 1.28 0.08 3.97 0.40 -0.34 -1.19 117.98 121.62 1ulj s PHE 164 Ca 0.17 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1ulj s PHE 164 Cb -0.13 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.68 1ulj s PHE 164 CO 0.05 0.09 -0.08 0.00 0.70 0.00 0.00 175.22 175.99 1ulj s ALA 165 N -2.06 0.85 -0.30 5.36 0.00 -0.57 -2.37 121.76 122.67 1ulj s ALA 165 Ca 0.06 -1.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 1ulj s ALA 165 Cb -0.05 0.09 0.14 0.00 0.00 0.00 0.00 23.12 23.29 1ulj s ALA 165 CO 0.02 -0.11 0.64 1.21 0.00 0.00 0.00 175.76 177.52 1ulj s ASN 166 N -2.36 -1.16 0.35 0.00 3.84 -0.93 -1.20 114.94 113.47 1ulj s ASN 166 Ca 0.02 1.48 0.03 0.00 0.21 0.00 0.00 52.86 54.59 1ulj s ASN 166 Cb -0.02 2.27 0.65 0.00 -0.55 0.00 0.00 41.25 43.60 1ulj s ASN 166 CO -0.02 -0.23 2.01 -0.50 -2.79 0.00 0.00 177.10 175.57 1ulj h TRP 167 N 8.00 0.79 -3.06 0.43 4.06 -1.81 -1.85 115.95 122.51 1ulj h TRP 167 Ca -0.19 0.02 -0.57 0.00 2.06 0.00 0.00 58.89 60.21 1ulj h TRP 167 Cb 1.11 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.95 1ulj h TRP 167 CO 0.15 0.49 0.91 0.34 -3.56 0.00 0.00 178.44 176.77 1ulj s ASP 168 N -6.45 6.86 0.44 -3.49 -1.08 -1.25 -4.69 116.67 107.01 1ulj s ASP 168 Ca -0.10 1.40 0.14 0.00 -0.52 0.00 0.00 52.55 53.47 1ulj s ASP 168 Cb 0.18 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 40.06 1ulj s ASP 168 CO 0.76 -0.88 1.97 0.00 0.52 0.00 0.00 175.17 177.55 1ulj h ALA 169 N 8.49 1.66 0.00 3.66 0.00 -1.96 -2.96 119.26 128.15 1ulj h ALA 169 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ulj h ALA 169 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ulj h ALA 169 CO 1.00 0.26 -0.10 -0.25 0.00 0.00 0.00 179.25 180.16 1ulj n ASP 170 N -4.30 0.30 -4.75 0.00 10.43 -1.26 -4.89 116.55 112.09 1ulj n ASP 170 Ca -0.02 0.41 -0.33 0.00 2.57 0.00 0.00 54.79 57.42 1ulj n ASP 170 Cb 0.26 -0.44 0.08 0.00 1.84 0.00 0.00 41.12 42.86 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 -3.04 2.21 1.11 2.24 0.00 -1.12 -4.86 121.76 118.32 1ulj s ALA 171 Ca 0.12 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 1ulj s ALA 171 Cb 0.17 -3.36 0.25 0.00 0.00 0.00 0.00 23.12 20.18 1ulj s ALA 171 CO 0.58 -1.72 1.06 -1.25 0.00 0.00 0.00 175.76 174.43 1ulj s PRO 172 N -4.32 -0.51 0.82 0.00 0.04 -1.26 -5.01 135.00 124.76 1ulj s PRO 172 Ca 0.67 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 1ulj s PRO 172 Cb -0.22 -1.63 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1ulj s PRO 172 CO 0.48 -3.36 1.10 0.16 0.04 0.00 0.00 177.00 175.42 1ulj s ASP 173 N -3.17 4.32 0.33 6.66 3.84 -1.26 -4.78 116.67 122.61 1ulj s ASP 173 Ca 0.67 1.24 0.01 0.00 -0.00 0.00 0.00 52.55 54.47 1ulj s ASP 173 Cb -0.20 -1.94 0.59 0.00 -1.38 0.00 0.00 42.92 39.99 1ulj s ASP 173 CO 0.60 -2.07 1.99 0.25 -0.00 0.00 0.00 175.17 175.94 1ulj h LEU 174 N -1.16 0.79 -0.44 2.11 5.85 -1.96 -1.50 115.31 119.00 1ulj h LEU 174 Ca -0.48 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.30 1ulj h LEU 174 Cb 1.28 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1ulj h LEU 174 CO 0.60 0.56 0.06 -0.78 -0.34 0.00 0.00 178.44 178.54 1ulj h ASP 175 N 0.93 -0.06 0.01 1.25 3.58 -1.92 -0.81 116.42 119.40 1ulj h ASP 175 Ca 0.27 0.09 -0.25 0.00 0.42 0.00 0.00 57.03 57.56 1ulj h ASP 175 Cb -0.05 0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.14 1ulj h ASP 175 CO -0.06 0.00 -0.95 0.74 -2.88 0.00 0.00 179.24 176.09 1ulj h THR 176 N 0.18 1.30 -0.62 2.25 2.02 -1.83 0.25 112.91 116.46 1ulj h THR 176 Ca 0.22 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.18 1ulj h THR 176 Cb 0.29 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1ulj h THR 176 CO -0.31 0.68 0.29 0.22 0.37 0.00 0.00 175.52 176.77 1ulj h TYR 177 N 0.41 0.90 -0.19 3.16 3.20 -1.18 -2.34 116.97 120.94 1ulj h TYR 177 Ca -0.10 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1ulj h TYR 177 Cb 1.59 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1ulj h TYR 177 CO 0.09 0.69 0.02 -0.07 -1.64 0.00 0.00 178.16 177.25 1ulj h LEU 178 N 0.85 0.31 0.00 2.82 3.38 -1.14 -3.48 115.31 118.05 1ulj h LEU 178 Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ulj h LEU 178 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ulj h LEU 178 CO -0.03 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1ulj n GLY 179 N -0.41 3.66 0.12 0.83 0.00 0.89 -2.02 105.19 108.25 1ulj n GLY 179 Ca -0.04 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 0.92 0.24 1.61 -0.00 -1.26 -2.67 120.64 133.48 1ulj n GLU 180 Ca 0.00 -0.25 0.16 0.00 -0.00 0.00 0.00 57.16 57.08 1ulj n GLU 180 Cb 0.00 -1.49 0.70 0.00 -0.00 0.00 0.00 31.44 30.65 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 3.84 1.00 -0.77 -1.84 0.00 -1.79 -2.95 119.26 116.75 1ulj h ALA 181 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ulj h ALA 181 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1ulj h ALA 181 CO 0.00 0.00 0.36 0.87 0.00 0.00 0.00 179.25 180.48 1ulj h LYS 182 N 0.00 0.54 -0.47 0.00 1.57 -1.67 -1.92 116.57 114.62 1ulj h LYS 182 Ca 0.00 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1ulj h LYS 182 Cb 0.37 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.46 1ulj h LYS 182 CO 0.00 0.35 -0.21 0.35 -0.57 0.00 0.00 179.45 179.37 1ulj h PHE 183 N 0.55 -0.54 0.00 -1.35 3.04 -1.77 -1.79 116.94 115.08 1ulj h PHE 183 Ca 0.41 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.33 1ulj h PHE 183 Cb 0.56 0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1ulj h PHE 183 CO -0.12 -0.30 -0.37 1.88 -2.02 0.00 0.00 178.31 177.38 1ulj h TYR 184 N -0.12 0.00 -0.01 0.41 0.05 -1.62 -2.92 116.97 112.77 1ulj h TYR 184 Ca 0.22 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.90 1ulj h TYR 184 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1ulj h TYR 184 CO -0.48 0.37 -0.45 0.52 -1.05 0.00 0.00 178.16 177.07 1ulj h MET 185 N 0.00 0.01 0.00 4.88 2.86 -0.98 -3.15 114.93 118.55 1ulj h MET 185 Ca -0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1ulj h MET 185 Cb 1.24 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1ulj h MET 185 CO 0.05 0.46 -0.17 -0.44 1.06 0.00 0.00 176.91 177.87 1ulj h ASP 186 N 0.01 0.00 0.00 1.22 3.45 -1.13 -1.95 116.42 118.02 1ulj h ASP 186 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ulj h ASP 186 Cb 0.80 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1ulj h ASP 186 CO 0.06 0.17 0.07 0.45 -1.57 0.00 0.00 179.24 178.42 1ulj h HIS 187 N 0.00 0.00 0.00 4.55 3.86 -1.66 -2.67 115.15 119.23 1ulj h HIS 187 Ca -0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1ulj h HIS 187 Cb 0.56 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 1ulj h HIS 187 CO 0.00 0.00 -1.74 -0.12 0.86 0.00 0.00 177.93 176.93 1ulj n MET 188 N -2.78 0.32 0.08 2.45 0.00 -0.80 -4.80 117.12 111.60 1ulj n MET 188 Ca -0.02 0.08 0.11 0.00 -0.00 0.00 0.00 57.70 57.87 1ulj n MET 188 Cb 0.13 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 32.11 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 -2.98 0.70 -1.67 -0.89 4.77 -0.82 -4.43 117.00 111.69 1ulj n LEU 189 Ca -0.23 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1ulj n LEU 189 Cb 0.74 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.85 1ulj n LEU 189 CO 0.11 -0.15 0.17 -0.67 -1.33 0.00 0.00 177.39 175.52 1ulj n ASP 190 N -2.57 2.43 0.01 -1.43 4.64 -1.02 -4.29 116.55 114.33 1ulj n ASP 190 Ca -0.00 -3.05 0.14 0.00 -1.38 0.00 0.00 54.79 50.50 1ulj n ASP 190 Cb 0.55 -0.42 0.59 0.00 -1.04 0.00 0.00 41.12 40.80 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 -0.54 0.03 -3.65 -0.67 1.74 -1.26 -4.84 116.66 107.47 1ulj n ARG 191 Ca 0.21 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1ulj n ARG 191 Cb 0.89 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.74 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 -3.01 0.06 0.48 0.55 -1.32 -1.26 -3.62 115.64 107.52 1ulj s THR 192 Ca 0.14 -0.45 0.25 0.00 -1.21 0.00 0.00 61.69 60.41 1ulj s THR 192 Cb 0.18 -0.98 0.29 0.00 -1.51 0.00 0.00 72.50 70.49 1ulj s THR 192 CO 0.54 -0.25 2.12 1.05 -2.21 0.00 0.00 174.62 175.87 1ulj h GLU 193 N 2.93 0.00 0.00 7.08 9.09 -1.98 -2.62 114.58 129.08 1ulj h GLU 193 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 1ulj h GLU 193 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1ulj h GLU 193 CO 0.44 0.09 0.00 0.00 0.05 0.00 0.00 179.01 179.58 1ulj h ALA 194 N 1.91 1.00 0.00 1.06 0.00 -1.99 -3.49 119.26 117.75 1ulj h ALA 194 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ulj h ALA 194 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ulj h ALA 194 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1ulj n GLY 195 N 0.21 -2.17 3.96 0.00 0.00 -0.99 -4.77 105.19 101.44 1ulj n GLY 195 Ca 0.01 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.32 4.01 0.18 2.61 -4.23 -1.26 -1.45 115.64 115.17 1ulj s THR 196 Ca 0.00 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1ulj s THR 196 Cb 0.00 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 1ulj s THR 196 CO 0.00 -0.17 -0.07 -1.83 -0.54 0.00 0.00 174.62 172.01 1ulj s GLU 197 N -4.13 1.16 0.03 3.99 -1.05 0.29 -4.72 118.70 114.28 1ulj s GLU 197 Ca 0.44 -1.53 -0.22 0.00 -0.15 0.00 0.00 54.97 53.51 1ulj s GLU 197 Cb -0.09 -0.64 -0.06 0.00 -0.44 0.00 0.00 34.13 32.91 1ulj s GLU 197 CO 0.30 0.02 0.65 0.00 0.95 0.00 0.00 175.26 177.19 1ulj s ALA 198 N -3.35 3.46 0.25 -0.84 0.00 -1.26 -0.90 121.76 119.12 1ulj s ALA 198 Ca 0.21 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 1ulj s ALA 198 Cb 0.03 -2.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 1ulj s ALA 198 CO 0.03 0.18 1.46 0.42 0.00 0.00 0.00 175.76 177.86 1ulj s ILE 199 N -0.35 2.61 0.58 0.00 1.01 0.11 -4.89 121.20 120.27 1ulj s ILE 199 Ca 0.33 0.51 -0.20 0.00 0.00 0.00 0.00 60.65 61.29 1ulj s ILE 199 Cb -0.19 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1ulj s ILE 199 CO 0.20 0.08 1.26 -2.84 0.00 0.00 0.00 174.94 173.64 1ulj s PRO 200 N -0.27 2.98 0.00 2.79 0.02 -1.26 -4.58 135.00 134.68 1ulj s PRO 200 Ca 0.60 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1ulj s PRO 200 Cb -0.42 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1ulj s PRO 200 CO 0.43 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1ulj n GLY 201 N 0.66 2.55 2.95 0.52 0.00 -1.26 -5.00 105.19 105.61 1ulj n GLY 201 Ca 0.13 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 1.31 0.02 -0.61 1.01 -1.26 -4.64 121.20 117.03 1ulj s ILE 202 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 1ulj s ILE 202 Cb 0.00 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1ulj s ILE 202 CO 0.00 0.31 0.80 -1.58 0.00 0.00 0.00 174.94 174.47 1ulj s GLN 203 N 1.58 4.51 -0.07 2.79 0.74 -0.55 -4.87 119.66 123.79 1ulj s GLN 203 Ca 0.03 1.11 0.03 0.00 0.05 0.00 0.00 55.36 56.58 1ulj s GLN 203 Cb -0.14 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.58 1ulj s GLN 203 CO -0.09 0.18 -0.16 0.15 -0.55 0.00 0.00 175.29 174.82 1ulj s LYS 204 N 0.31 1.96 0.20 1.67 1.02 -1.26 -0.57 119.74 123.07 1ulj s LYS 204 Ca 0.41 -0.55 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 1ulj s LYS 204 Cb -0.20 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1ulj s LYS 204 CO 0.23 0.11 0.31 1.67 -0.92 0.00 0.00 175.35 176.76 1ulj s TRP 205 N 0.44 0.56 -0.22 3.18 -2.14 -0.91 -4.98 118.94 114.87 1ulj s TRP 205 Ca -0.13 -0.89 -0.04 0.00 2.66 0.00 0.00 56.10 57.70 1ulj s TRP 205 Cb -0.15 -0.09 -0.01 0.00 -3.10 0.00 0.00 33.47 30.12 1ulj s TRP 205 CO 0.04 -0.79 -0.04 0.08 -2.66 0.00 0.00 176.95 173.57 1ulj s VAL 206 N -4.03 3.34 -0.24 -0.66 1.01 -1.26 -1.58 120.40 116.98 1ulj s VAL 206 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1ulj s VAL 206 Cb 0.03 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.93 1ulj s VAL 206 CO 0.06 0.42 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1ulj s ILE 207 N 1.47 2.25 -0.83 2.22 1.01 -0.50 -5.02 121.20 121.80 1ulj s ILE 207 Ca 0.06 -1.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.02 1ulj s ILE 207 Cb -0.14 -2.23 -0.22 0.00 0.01 0.00 0.00 42.46 39.88 1ulj s ILE 207 CO -0.03 0.11 1.92 -2.65 0.00 0.00 0.00 174.94 174.29 1ulj n PRO 208 N 4.50 0.69 -3.78 2.79 -0.02 -1.26 -1.06 135.00 136.86 1ulj n PRO 208 Ca -0.16 -1.78 -0.10 0.00 -2.02 0.00 0.00 63.50 59.45 1ulj n PRO 208 Cb 0.44 -3.42 -0.04 0.00 -0.02 0.00 0.00 33.50 30.46 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 -2.89 6.32 0.40 0.00 3.84 -1.19 -2.44 114.94 118.98 1ulj s ASN 210 Ca 0.11 2.32 0.11 0.00 0.21 0.00 0.00 52.86 55.60 1ulj s ASN 210 Cb -0.00 -2.61 0.83 0.00 -0.55 0.00 0.00 41.25 38.92 1ulj s ASN 210 CO -0.02 -0.81 1.93 4.11 -2.79 0.00 0.00 177.10 179.52 1ulj h TRP 211 N 2.29 0.20 0.00 0.43 5.08 -1.82 -2.78 115.95 119.35 1ulj h TRP 211 Ca -0.49 -0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.45 1ulj h TRP 211 Cb 1.24 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1ulj h TRP 211 CO 0.54 0.33 -0.06 0.87 -1.28 0.00 0.00 178.44 178.84 1ulj h LYS 212 N 0.18 0.00 -0.22 0.12 1.57 -1.95 -0.38 116.57 115.90 1ulj h LYS 212 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1ulj h LYS 212 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1ulj h LYS 212 CO 0.02 0.06 -0.21 0.74 -0.57 0.00 0.00 179.45 179.49 1ulj h PHE 213 N 0.00 0.63 0.02 -1.35 -1.00 -1.89 -1.24 116.94 112.12 1ulj h PHE 213 Ca -0.00 -0.19 -0.00 0.00 2.81 0.00 0.00 57.97 60.59 1ulj h PHE 213 Cb 0.29 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1ulj h PHE 213 CO 0.00 0.87 -0.01 0.00 -1.61 0.00 0.00 178.31 177.56 1ulj h ALA 214 N 0.66 -0.03 -0.81 2.45 0.00 -1.59 -1.04 119.26 118.90 1ulj h ALA 214 Ca 0.04 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ulj h ALA 214 Cb 0.76 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1ulj h ALA 214 CO 0.05 -0.28 0.46 0.00 0.00 0.00 0.00 179.25 179.48 1ulj h ALA 215 N 0.46 1.15 -0.40 0.00 0.00 -1.13 -2.13 119.26 117.20 1ulj h ALA 215 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1ulj h ALA 215 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ulj h ALA 215 CO 0.00 0.09 -0.27 1.49 0.00 0.00 0.00 179.25 180.57 1ulj h GLU 216 N 0.78 0.84 -0.21 0.00 4.81 -1.23 -2.46 114.58 117.12 1ulj h GLU 216 Ca 0.39 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ulj h GLU 216 Cb 0.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ulj h GLU 216 CO -0.24 1.01 0.12 0.37 -0.73 0.00 0.00 179.01 179.54 1ulj h GLN 217 N 0.72 0.28 0.00 1.92 4.15 -0.53 -2.00 115.11 119.65 1ulj h GLN 217 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1ulj h GLN 217 Cb 0.81 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1ulj h GLN 217 CO 0.07 0.23 0.00 0.74 -1.93 0.00 0.00 178.83 177.93 1ulj h PHE 218 N 0.25 0.00 -0.07 3.99 -1.00 -1.46 -0.98 116.94 117.68 1ulj h PHE 218 Ca 0.07 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.70 1ulj h PHE 218 Cb 0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1ulj h PHE 218 CO -0.05 0.00 -0.56 0.00 -1.61 0.00 0.00 178.31 176.09 1ulj n SER 220 N -4.21 0.00 -3.35 0.00 2.88 -0.79 -3.05 113.62 105.10 1ulj n SER 220 Ca -0.09 -0.78 -0.34 0.00 -1.33 0.00 0.00 58.87 56.33 1ulj n SER 220 Cb 0.64 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 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 5.79 0.18 -3.46 -0.08 -0.38 -4.58 116.55 114.03 1ulj n ASP 221 Ca 0.00 -3.65 0.03 0.00 -1.51 0.00 0.00 54.79 49.66 1ulj n ASP 221 Cb 0.20 -0.88 0.35 0.00 2.34 0.00 0.00 41.12 43.13 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 3.76 0.00 -0.81 -0.67 1.85 -1.81 -3.28 114.93 113.97 1ulj h MET 222 Ca 0.31 0.00 0.20 0.00 -0.61 0.00 0.00 59.70 59.60 1ulj h MET 222 Cb 0.44 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 32.34 1ulj h MET 222 CO 1.01 0.39 0.14 -0.92 -0.40 0.00 0.00 176.91 177.13 1ulj h TYR 223 N 0.00 0.18 -0.32 1.39 3.20 -1.81 0.14 116.97 119.75 1ulj h TYR 223 Ca -0.00 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1ulj h TYR 223 Cb 0.73 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1ulj h TYR 223 CO 0.00 -0.20 -0.04 1.12 -1.64 0.00 0.00 178.16 177.40 1ulj h HIS 224 N 0.18 0.54 -0.33 -3.82 2.07 -1.95 -2.85 115.15 108.99 1ulj h HIS 224 Ca 0.48 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.78 1ulj h HIS 224 Cb 0.90 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.72 1ulj h HIS 224 CO -0.33 0.56 -0.39 0.00 -3.07 0.00 0.00 177.93 174.70 1ulj h ALA 225 N 1.47 0.49 -0.14 6.11 0.00 -0.95 -3.08 119.26 123.16 1ulj h ALA 225 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ulj h ALA 225 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ulj h ALA 225 CO 0.02 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1ulj n GLY 226 N 0.21 0.26 0.00 0.00 0.00 -0.30 -4.65 105.19 100.70 1ulj n GLY 226 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 0.00 -0.03 2.61 -2.24 -1.09 -5.01 114.28 108.50 1ulj n THR 227 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ulj n THR 227 Cb 0.21 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.42 -0.26 4.28 -2.24 -1.25 -4.50 114.28 110.72 1ulj n THR 228 Ca 0.00 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1ulj n THR 228 Cb 0.00 -0.24 0.13 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.59 -0.24 3.42 0.02 -1.85 -2.89 113.55 112.60 1ulj h SER 229 Ca -0.17 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 1ulj h SER 229 Cb 1.18 -0.07 -0.11 0.00 0.14 0.00 0.00 62.40 63.54 1ulj h SER 229 CO 0.01 0.35 -0.43 1.41 -1.14 0.00 0.00 176.83 177.04 1ulj n HIS 230 N -4.78 0.82 -0.26 3.45 8.25 -1.26 -4.73 115.22 116.71 1ulj n HIS 230 Ca 0.11 -1.69 0.01 0.00 -0.26 0.00 0.00 57.72 55.89 1ulj n HIS 230 Cb 0.23 -0.35 0.13 0.00 1.12 0.00 0.00 29.99 31.12 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 1.23 0.60 -1.02 2.41 3.38 -1.74 -2.39 115.31 117.78 1ulj h LEU 231 Ca 0.13 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ulj h LEU 231 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ulj h LEU 231 CO 0.26 0.36 -0.42 0.77 0.09 0.00 0.00 178.44 179.50 1ulj h SER 232 N 0.73 0.14 0.20 -0.43 4.64 -1.85 -2.59 113.55 114.40 1ulj h SER 232 Ca 0.35 -0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.40 1ulj h SER 232 Cb 0.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ulj h SER 232 CO -0.22 0.55 -0.86 1.23 -0.87 0.00 0.00 176.83 176.66 1ulj h GLY 233 N 1.27 0.55 0.86 -0.77 0.00 -1.58 -2.25 103.07 101.15 1ulj h GLY 233 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1ulj h GLY 233 CO 0.06 0.77 0.06 -2.22 0.00 0.00 0.00 176.54 175.21 1ulj h ILE 234 N 0.31 1.18 -0.92 2.60 2.04 -1.46 -3.03 117.51 118.23 1ulj h ILE 234 Ca -0.06 -0.55 0.19 0.00 1.00 0.00 0.00 64.86 65.43 1ulj h ILE 234 Cb 1.48 1.23 -0.11 0.00 -0.74 0.00 0.00 36.82 38.68 1ulj h ILE 234 CO 0.15 0.17 0.49 0.25 0.00 0.00 0.00 178.15 179.21 1ulj h LEU 235 N 0.10 0.56 -1.22 1.44 5.85 -1.41 -2.43 115.31 118.20 1ulj h LEU 235 Ca 0.05 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1ulj h LEU 235 Cb 0.21 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ulj h LEU 235 CO -0.00 0.17 -0.11 0.00 -0.34 0.00 0.00 178.44 178.16 1ulj h ALA 236 N 1.64 1.36 -0.01 1.25 0.00 -1.28 -2.52 119.26 119.70 1ulj h ALA 236 Ca 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ulj h ALA 236 Cb 0.88 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ulj h ALA 236 CO -0.42 0.44 -0.15 0.41 0.00 0.00 0.00 179.25 179.53 1ulj n GLY 237 N -0.76 -0.46 3.89 0.00 0.00 -0.94 -4.90 105.19 102.02 1ulj n GLY 237 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.32 3.06 0.67 0.99 1.43 -0.95 -4.69 118.68 116.86 1ulj s LEU 238 Ca 0.30 1.10 0.44 0.00 -1.03 0.00 0.00 54.13 54.94 1ulj s LEU 238 Cb 0.20 -3.96 2.42 0.00 0.03 0.00 0.00 46.19 44.88 1ulj s LEU 238 CO 0.45 -1.16 2.37 -0.65 0.23 0.00 0.00 176.35 177.59 1ulj h PRO 239 N -0.46 0.00 0.00 1.29 0.11 -1.90 -3.50 132.00 127.54 1ulj h PRO 239 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ulj h PRO 239 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ulj h PRO 239 CO 0.63 0.00 0.00 -0.35 -0.21 0.00 0.00 178.00 178.07 1ulj n PRO 250 N -3.12 0.00 0.00 1.05 -0.04 -1.26 -5.16 135.00 126.47 1ulj n PRO 250 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1ulj n PRO 250 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1ulj n PRO 250 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ulj n THR 251 N -0.32 0.00 -3.56 0.52 5.66 -1.26 -5.07 114.28 110.25 1ulj n THR 251 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1ulj n THR 251 Cb 0.00 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 68.51 1ulj n THR 251 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1ulj s GLU 252 N -1.31 3.76 0.00 1.09 2.12 -1.26 -4.98 118.70 118.11 1ulj s GLU 252 Ca 0.00 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1ulj s GLU 252 Cb 0.00 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1ulj s GLU 252 CO 0.00 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1ulj n GLY 253 N 0.62 2.64 3.40 -1.50 0.00 -1.26 -1.94 105.19 107.14 1ulj n GLY 253 Ca -0.06 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 1.08 -0.00 -0.61 -4.36 -0.79 -2.31 121.20 112.21 1ulj s ILE 254 Ca 0.00 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 1ulj s ILE 254 Cb 0.00 -2.64 -0.00 0.00 1.25 0.00 0.00 42.46 41.06 1ulj s ILE 254 CO 0.00 -0.10 -0.04 -1.58 0.24 0.00 0.00 174.94 173.46 1ulj s GLN 255 N -3.90 0.34 -0.20 0.37 0.74 0.06 -1.89 119.66 115.17 1ulj s GLN 255 Ca 0.34 -0.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.52 1ulj s GLN 255 Cb 0.08 -0.31 -0.02 0.00 1.10 0.00 0.00 33.01 33.86 1ulj s GLN 255 CO 0.13 0.08 -0.01 -0.47 -0.55 0.00 0.00 175.29 174.48 1ulj s TYR 256 N -0.18 3.02 -0.14 1.67 6.14 0.28 -1.02 117.35 127.11 1ulj s TYR 256 Ca 0.01 -0.54 -0.05 0.00 0.64 0.00 0.00 57.07 57.13 1ulj s TYR 256 Cb -0.02 -2.09 -0.03 0.00 0.42 0.00 0.00 41.96 40.23 1ulj s TYR 256 CO -0.00 -0.30 0.02 0.50 0.64 0.00 0.00 175.55 176.41 1ulj s ARG 257 N 1.10 3.57 0.28 4.97 3.52 0.76 -1.55 118.95 131.60 1ulj s ARG 257 Ca 0.02 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 1ulj s ARG 257 Cb -0.14 -3.00 -0.10 0.00 -1.56 0.00 0.00 34.95 30.15 1ulj s ARG 257 CO 0.01 0.41 1.45 0.00 -0.81 0.00 0.00 175.30 176.36 1ulj s ALA 258 N -0.06 3.62 0.33 6.12 0.00 -0.88 -1.34 121.76 129.56 1ulj s ALA 258 Ca 0.04 1.38 0.10 0.00 0.00 0.00 0.00 51.96 53.49 1ulj s ALA 258 Cb -0.13 -3.57 0.89 0.00 0.00 0.00 0.00 23.12 20.32 1ulj s ALA 258 CO 0.02 -0.80 1.76 1.15 0.00 0.00 0.00 175.76 177.88 1ulj h THR 259 N 3.38 0.59 -3.03 0.00 2.02 -1.92 -3.43 112.91 110.52 1ulj h THR 259 Ca -0.47 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 1ulj h THR 259 Cb 1.22 -0.06 -0.18 0.00 -1.74 0.00 0.00 68.15 67.40 1ulj h THR 259 CO 0.75 0.11 -0.17 0.86 0.37 0.00 0.00 175.52 177.44 1ulj s TRP 260 N -5.73 -0.23 0.00 3.16 -0.00 -1.26 -5.01 118.94 109.87 1ulj s TRP 260 Ca -0.10 0.23 0.00 0.00 -0.00 0.00 0.00 56.10 56.23 1ulj s TRP 260 Cb 0.26 0.17 0.00 0.00 -0.00 0.00 0.00 33.47 33.90 1ulj s TRP 260 CO 0.80 -0.51 0.00 0.41 -0.00 0.00 0.00 176.95 177.65 1ulj n GLY 261 N 0.75 0.59 1.31 5.86 0.00 -1.26 -4.61 105.19 107.83 1ulj n GLY 261 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.32 0.67 3.88 -0.02 0.00 -1.26 -4.61 105.19 102.54 1ulj n GLY 262 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 3.53 0.09 1.61 3.76 -1.26 -4.19 115.29 116.82 1ulj s HIS 263 Ca 0.00 1.01 -0.24 0.00 -0.15 0.00 0.00 55.06 55.68 1ulj s HIS 263 Cb 0.00 -2.44 0.06 0.00 1.11 0.00 0.00 32.58 31.31 1ulj s HIS 263 CO 0.00 -0.26 0.57 0.20 -0.85 0.00 0.00 174.74 174.40 1ulj s GLY 264 N -3.65 -0.53 -0.19 -2.22 0.00 -0.89 -2.07 107.32 97.77 1ulj s GLY 264 Ca 0.51 0.62 -0.18 0.00 0.00 0.00 0.00 44.72 45.67 1ulj s GLY 264 CO 0.39 0.30 0.51 -0.45 0.00 0.00 0.00 173.10 173.86 1ulj s SER 265 N -2.26 -0.54 0.21 1.64 0.15 -0.60 -1.79 113.70 110.51 1ulj s SER 265 Ca -0.03 1.04 0.10 0.00 0.70 0.00 0.00 55.95 57.76 1ulj s SER 265 Cb -0.00 1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 65.31 1ulj s SER 265 CO -0.06 -0.18 -0.19 -0.83 1.20 0.00 0.00 173.24 173.18 1ulj s GLY 266 N 0.33 1.60 -0.07 9.45 0.00 -0.86 0.99 107.32 118.76 1ulj s GLY 266 Ca -0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 1ulj s GLY 266 CO 0.00 -1.73 0.79 -0.11 0.00 0.00 0.00 173.10 172.05 1ulj s PHE 267 N -2.30 -0.54 0.38 1.90 -0.71 -0.79 -1.65 117.98 114.26 1ulj s PHE 267 Ca 0.22 0.86 -0.21 0.00 -1.04 0.00 0.00 56.93 56.76 1ulj s PHE 267 Cb -0.05 0.44 -0.10 0.00 -1.21 0.00 0.00 43.02 42.10 1ulj s PHE 267 CO 0.10 -0.54 0.91 0.71 -1.34 0.00 0.00 175.22 175.06 1ulj s TYR 268 N -1.45 3.41 -0.12 3.49 4.12 -0.83 -1.89 117.35 124.09 1ulj s TYR 268 Ca -0.06 1.58 0.03 0.00 0.02 0.00 0.00 57.07 58.64 1ulj s TYR 268 Cb -0.00 -2.81 0.01 0.00 -1.52 0.00 0.00 41.96 37.64 1ulj s TYR 268 CO 0.05 0.01 -0.22 0.42 0.02 0.00 0.00 175.55 175.82 1ulj s ILE 269 N -2.00 1.97 0.00 2.71 1.01 -0.82 -1.12 121.20 122.95 1ulj s ILE 269 Ca 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1ulj s ILE 269 Cb -0.11 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1ulj s ILE 269 CO 0.16 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1ulj n GLY 270 N 3.82 3.10 3.25 6.18 0.00 -0.89 -4.50 105.19 116.14 1ulj n GLY 270 Ca -0.20 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 5.98 0.00 1.61 2.15 -1.26 -4.94 116.67 120.20 1ulj s ASP 271 Ca 0.00 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 50.86 1ulj s ASP 271 Cb 0.00 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1ulj s ASP 271 CO 0.00 -0.68 0.46 -0.81 -0.17 0.00 0.00 175.17 173.96 1ulj n PRO 272 N 4.69 0.91 0.14 4.34 -0.04 -1.26 -4.08 135.00 139.71 1ulj n PRO 272 Ca -0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1ulj n PRO 272 Cb 0.41 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1ulj n PRO 272 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ulj h ASN 273 N 0.09 -0.36 -0.46 3.54 4.21 -2.00 -2.83 115.58 117.78 1ulj h ASN 273 Ca 0.00 -0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.32 1ulj h ASN 273 Cb 0.46 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 1ulj h ASN 273 CO 0.00 0.09 0.23 0.25 -1.29 0.00 0.00 177.43 176.71 1ulj h LEU 274 N -0.92 0.59 -1.22 1.61 5.85 -2.01 -1.84 115.31 117.37 1ulj h LEU 274 Ca -0.04 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.65 1ulj h LEU 274 Cb 0.52 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1ulj h LEU 274 CO 0.07 0.54 0.57 0.25 -0.34 0.00 0.00 178.44 179.53 1ulj h LEU 275 N 0.59 0.79 -0.44 2.25 5.85 -1.82 -2.35 115.31 120.19 1ulj h LEU 275 Ca 0.16 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1ulj h LEU 275 Cb 0.10 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1ulj h LEU 275 CO -0.02 0.48 0.23 0.25 -0.34 0.00 0.00 178.44 179.04 1ulj h LEU 276 N 0.88 0.35 -0.05 2.25 7.12 -1.07 -1.21 115.31 123.58 1ulj h LEU 276 Ca 0.40 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.43 1ulj h LEU 276 Cb 0.37 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1ulj h LEU 276 CO -0.16 0.25 0.00 0.00 -0.13 0.00 0.00 178.44 178.39 1ulj n ALA 277 N -2.29 2.23 -0.09 1.25 0.00 -0.91 -0.35 120.51 120.35 1ulj n ALA 277 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 1ulj n ALA 277 Cb 0.10 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 1ulj n ALA 277 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ulj n ILE 278 N -1.97 1.49 0.31 0.00 5.41 -1.02 -3.86 119.36 119.72 1ulj n ILE 278 Ca 0.06 0.05 0.04 0.00 1.00 0.00 0.00 62.75 63.90 1ulj n ILE 278 Cb 0.38 -2.18 0.04 0.00 -0.71 0.00 0.00 39.64 37.17 1ulj n ILE 278 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1ulj n MET 279 N -4.49 0.21 -0.40 0.38 2.81 -0.48 -4.88 117.12 110.26 1ulj n MET 279 Ca -0.23 -1.01 0.05 0.00 -1.81 0.00 0.00 57.70 54.70 1ulj n MET 279 Cb 0.53 -1.15 -0.01 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.44 -1.61 0.17 3.03 0.00 0.53 -4.29 105.19 103.46 1ulj n GLY 280 Ca 0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.37 0.39 -0.27 1.61 0.13 -1.92 -2.74 132.00 128.83 1ulj h PRO 281 Ca 0.00 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1ulj h PRO 281 Cb 0.37 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1ulj h PRO 281 CO 0.01 1.00 0.08 0.87 -0.23 0.00 0.00 178.00 179.72 1ulj h LYS 282 N 0.25 0.42 -0.42 0.86 1.57 -1.97 -0.52 116.57 116.76 1ulj h LYS 282 Ca -0.04 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1ulj h LYS 282 Cb 1.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1ulj h LYS 282 CO 0.13 0.50 -0.25 0.28 -0.57 0.00 0.00 179.45 179.54 1ulj h VAL 283 N 0.26 1.28 -0.49 0.50 2.07 -1.75 -0.64 116.25 117.48 1ulj h VAL 283 Ca 0.08 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.26 1ulj h VAL 283 Cb 0.26 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1ulj h VAL 283 CO -0.00 0.48 0.17 0.74 0.02 0.00 0.00 177.57 178.98 1ulj h THR 284 N 0.74 0.83 0.17 2.57 2.02 -1.39 -0.84 112.91 117.01 1ulj h THR 284 Ca 0.09 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ulj h THR 284 Cb 0.83 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ulj h THR 284 CO 0.07 0.06 -0.08 -0.08 0.37 0.00 0.00 175.52 175.86 1ulj h GLU 285 N 0.34 -0.22 -0.83 6.66 4.81 -0.86 -2.41 114.58 122.07 1ulj h GLU 285 Ca 0.23 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.65 1ulj h GLU 285 Cb 0.25 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1ulj h GLU 285 CO -0.24 -0.03 0.55 -0.92 -0.73 0.00 0.00 179.01 177.65 1ulj h TYR 286 N -0.38 0.55 0.00 0.92 5.03 -0.91 -1.13 116.97 121.05 1ulj h TYR 286 Ca -0.02 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.18 1ulj h TYR 286 Cb 0.29 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1ulj h TYR 286 CO -0.02 0.18 -0.57 2.35 -1.32 0.00 0.00 178.16 178.78 1ulj h TRP 287 N 0.45 0.00 0.00 -3.82 2.91 -0.85 -3.32 115.95 111.32 1ulj h TRP 287 Ca 0.42 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.44 1ulj h TRP 287 Cb 0.97 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1ulj h TRP 287 CO -0.00 0.57 -0.74 0.25 -1.03 0.00 0.00 178.44 177.49 1ulj n THR 288 N -3.27 0.00 -4.30 2.65 -2.24 -0.91 -4.45 114.28 101.76 1ulj n THR 288 Ca 0.02 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 1ulj n THR 288 Cb 0.75 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.64 1.21 0.02 -0.78 -0.21 -0.48 -4.80 119.66 112.98 1ulj s GLN 289 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.91 1ulj s GLN 289 Cb 0.00 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 33.01 1ulj s GLN 289 CO 0.00 0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1ulj n GLY 290 N -0.08 -3.72 0.29 3.09 0.00 -1.26 -4.32 105.19 99.19 1ulj n GLY 290 Ca -0.11 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 1ulj n GLY 290 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ulj h PRO 291 N 0.00 0.99 -0.54 1.61 0.11 -1.97 -2.12 132.00 130.08 1ulj h PRO 291 Ca 0.00 -0.17 -0.10 0.00 0.11 0.00 0.00 66.00 65.84 1ulj h PRO 291 Cb 0.00 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 1ulj h PRO 291 CO 0.00 0.82 -0.05 0.00 -0.21 0.00 0.00 178.00 178.56 1ulj h ALA 292 N 1.12 0.73 -0.42 -0.75 0.00 -1.86 -0.87 119.26 117.20 1ulj h ALA 292 Ca 0.22 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1ulj h ALA 292 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ulj h ALA 292 CO -0.02 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.50 1ulj h ALA 293 N 0.94 0.61 -0.68 0.00 0.00 -1.65 -2.40 119.26 116.07 1ulj h ALA 293 Ca 0.15 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ulj h ALA 293 Cb 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ulj h ALA 293 CO 0.04 0.68 0.45 0.93 0.00 0.00 0.00 179.25 181.34 1ulj h GLU 294 N 0.81 0.68 -0.11 0.00 5.08 -1.18 -1.60 114.58 118.25 1ulj h GLU 294 Ca 0.08 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1ulj h GLU 294 Cb 0.92 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ulj h GLU 294 CO 0.09 0.45 -0.75 -0.22 -1.00 0.00 0.00 179.01 177.57 1ulj h LYS 295 N 0.70 0.58 -0.26 2.33 3.64 -1.00 -2.85 116.57 119.71 1ulj h LYS 295 Ca 0.29 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1ulj h LYS 295 Cb 0.26 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ulj h LYS 295 CO -0.09 1.10 0.12 0.00 -2.27 0.00 0.00 179.45 178.30 1ulj h ALA 296 N 0.77 0.31 -0.77 5.00 0.00 -0.92 -1.65 119.26 122.00 1ulj h ALA 296 Ca -0.04 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ulj h ALA 296 Cb 1.35 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1ulj h ALA 296 CO 0.14 -0.28 0.51 0.77 0.00 0.00 0.00 179.25 180.39 1ulj h SER 297 N 0.26 0.63 -0.03 0.00 0.02 -1.27 -1.80 113.55 111.36 1ulj h SER 297 Ca 0.11 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1ulj h SER 297 Cb 0.04 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1ulj h SER 297 CO -0.08 0.38 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.90 1ulj h GLU 298 N 0.70 0.06 0.00 3.45 4.81 -1.20 -0.97 114.58 121.43 1ulj h GLU 298 Ca 0.36 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1ulj h GLU 298 Cb 0.45 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1ulj h GLU 298 CO -0.13 0.44 -0.19 0.00 -0.73 0.00 0.00 179.01 178.40 1ulj h ARG 299 N -0.31 0.00 -0.03 1.92 3.08 -1.06 -3.00 114.38 114.98 1ulj h ARG 299 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ulj h ARG 299 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1ulj h ARG 299 CO 0.00 0.19 -0.06 1.28 -1.07 0.00 0.00 179.97 180.32 1ulj n LEU 300 N -3.56 2.74 -2.61 3.04 4.77 -0.70 -4.99 117.00 115.70 1ulj n LEU 300 Ca -0.01 -0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 54.79 1ulj n LEU 300 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ulj n LEU 300 CO 0.32 0.47 -0.17 0.61 -1.33 0.00 0.00 177.39 177.28 1ulj n GLY 301 N 1.27 -0.51 3.64 -0.72 0.00 -0.48 -4.97 105.19 103.42 1ulj n GLY 301 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.26 -0.83 0.30 1.61 0.15 -0.58 -5.01 113.70 107.09 1ulj s SER 302 Ca 0.10 1.38 0.09 0.00 0.70 0.00 0.00 55.95 58.21 1ulj s SER 302 Cb -0.05 1.35 0.47 0.00 -1.71 0.00 0.00 66.02 66.09 1ulj s SER 302 CO 0.12 -0.22 1.69 0.74 1.20 0.00 0.00 173.24 176.77 1ulj h THR 303 N 4.75 1.35 0.04 6.45 2.02 -1.94 -2.89 112.91 122.68 1ulj h THR 303 Ca -0.29 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.20 1ulj h THR 303 Cb 1.21 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1ulj h THR 303 CO 0.14 0.49 -0.02 -0.08 0.37 0.00 0.00 175.52 176.42 1ulj h GLU 304 N 0.09 -0.05 -0.91 6.66 4.81 -1.95 -1.79 114.58 121.45 1ulj h GLU 304 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1ulj h GLU 304 Cb 0.89 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 1ulj h GLU 304 CO 0.07 0.10 0.60 0.00 -0.73 0.00 0.00 179.01 179.05 1ulj h ARG 305 N -0.19 1.15 0.00 1.92 3.08 -1.92 -1.98 114.38 116.44 1ulj h ARG 305 Ca -0.01 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 1ulj h ARG 305 Cb 0.17 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1ulj h ARG 305 CO 0.01 0.76 -1.67 0.41 -1.07 0.00 0.00 179.97 178.41 1ulj n GLY 306 N -1.40 -1.12 0.00 0.04 0.00 -1.10 -4.50 105.19 97.11 1ulj n GLY 306 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ulj n GLY 306 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ulj n GLN 307 N -2.82 3.15 -0.09 1.61 6.02 -0.67 -4.66 117.38 119.91 1ulj n GLN 307 Ca -0.14 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1ulj n GLN 307 Cb 0.89 -0.34 0.08 0.00 1.02 0.00 0.00 30.24 31.90 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 -0.49 2.59 -3.54 -1.09 6.02 -0.75 -4.55 117.38 115.57 1ulj n GLN 308 Ca 0.00 -1.96 -0.37 0.00 -0.01 0.00 0.00 57.00 54.66 1ulj n GLN 308 Cb 0.00 -1.24 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 1ulj n GLN 308 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ulj s LEU 309 N -1.57 4.12 -0.16 1.08 1.43 -1.20 -2.10 118.68 120.28 1ulj s LEU 309 Ca 0.15 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1ulj s LEU 309 Cb 0.11 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1ulj s LEU 309 CO 0.04 -0.01 -0.20 -0.04 0.23 0.00 0.00 176.35 176.38 1ulj s MET 310 N 1.25 2.87 -1.11 1.70 -1.94 -0.28 -4.85 119.30 116.95 1ulj s MET 310 Ca 0.12 -0.79 -0.14 0.00 -1.71 0.00 0.00 55.69 53.17 1ulj s MET 310 Cb -0.14 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 1ulj s MET 310 CO 0.06 -0.15 0.85 0.00 -0.01 0.00 0.00 175.02 175.77 1ulj n ALA 311 N 4.47 -2.51 -1.78 3.03 0.00 -1.26 -1.96 120.51 120.50 1ulj n ALA 311 Ca -0.20 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1ulj n ALA 311 Cb 0.50 -4.78 -0.05 0.00 0.00 0.00 0.00 19.45 15.12 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 -5.30 4.71 0.08 0.00 0.74 -1.21 -4.51 119.66 114.17 1ulj s GLN 312 Ca 0.45 1.69 0.10 0.00 0.05 0.00 0.00 55.36 57.65 1ulj s GLN 312 Cb -0.12 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 1ulj s GLN 312 CO 0.81 0.31 -0.26 -3.38 -0.55 0.00 0.00 175.29 172.22 1ulj s HIS 313 N -1.11 2.34 -0.16 1.67 -3.43 -0.66 -2.92 115.29 111.03 1ulj s HIS 313 Ca 0.44 -0.39 -0.18 0.00 -0.80 0.00 0.00 55.06 54.13 1ulj s HIS 313 Cb -0.30 -1.34 0.05 0.00 -1.43 0.00 0.00 32.58 29.56 1ulj s HIS 313 CO 0.38 0.22 0.50 1.41 -2.00 0.00 0.00 174.74 175.25 1ulj s MET 314 N -1.59 0.64 -0.13 -0.38 0.00 0.11 -2.02 119.30 115.93 1ulj s MET 314 Ca 0.13 0.59 0.01 0.00 0.00 0.00 0.00 55.69 56.42 1ulj s MET 314 Cb -0.10 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.05 1ulj s MET 314 CO 0.04 -0.10 -0.16 0.99 0.00 0.00 0.00 175.02 175.79 1ulj s THR 315 N 0.00 1.59 -0.45 10.11 2.01 -0.74 -1.16 115.64 127.01 1ulj s THR 315 Ca -0.02 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1ulj s THR 315 Cb -0.03 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1ulj s THR 315 CO 0.02 0.46 0.88 -0.63 -0.69 0.00 0.00 174.62 174.66 1ulj s ILE 316 N 1.17 4.54 0.36 1.82 -1.09 0.82 -2.08 121.20 126.74 1ulj s ILE 316 Ca -0.02 0.70 -0.26 0.00 -2.23 0.00 0.00 60.65 58.84 1ulj s ILE 316 Cb -0.14 -4.39 -0.12 0.00 -1.58 0.00 0.00 42.46 36.23 1ulj s ILE 316 CO -0.05 -0.76 0.98 0.33 -1.23 0.00 0.00 174.94 174.20 1ulj n PHE 317 N 6.99 1.12 0.01 3.97 -0.00 -1.26 -2.24 117.46 126.05 1ulj n PHE 317 Ca 0.05 0.63 -0.13 0.00 -0.00 0.00 0.00 57.45 58.00 1ulj n PHE 317 Cb 0.48 -2.23 -0.14 0.00 -0.00 0.00 0.00 39.48 37.60 1ulj n PHE 317 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ulj h PRO 318 N 1.72 0.11 0.00 -7.13 0.13 -1.91 -3.45 132.00 121.47 1ulj h PRO 318 Ca -0.42 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 64.49 1ulj h PRO 318 Cb 1.34 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.45 1ulj h PRO 318 CO 0.58 0.83 -0.50 0.25 -0.23 0.00 0.00 178.00 178.93 1ulj n THR 319 N -3.26 0.87 -3.73 1.56 -2.24 -1.21 -4.74 114.28 101.53 1ulj n THR 319 Ca -0.17 -1.39 -0.37 0.00 -2.27 0.00 0.00 64.05 59.84 1ulj n THR 319 Cb 1.04 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.60 1.24 0.11 0.00 0.01 -0.42 -0.12 113.70 116.11 1ulj s SER 321 Ca 0.05 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.62 1ulj s SER 321 Cb -0.16 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.10 1ulj s SER 321 CO 0.04 -0.05 0.76 0.72 0.41 0.00 0.00 173.24 175.12 1ulj s PHE 322 N -0.95 -0.38 -0.53 2.43 -0.12 -0.30 -0.63 117.98 117.49 1ulj s PHE 322 Ca -0.02 0.15 0.04 0.00 -0.05 0.00 0.00 56.93 57.05 1ulj s PHE 322 Cb -0.08 0.58 0.14 0.00 -0.63 0.00 0.00 43.02 43.03 1ulj s PHE 322 CO 0.01 -0.78 0.31 -0.51 -0.05 0.00 0.00 175.22 174.19 1ulj s LEU 323 N -2.70 3.86 -0.06 -1.99 1.43 -0.55 -0.71 118.68 117.96 1ulj s LEU 323 Ca 0.05 -3.10 -0.36 0.00 -1.03 0.00 0.00 54.13 49.69 1ulj s LEU 323 Cb -0.02 -1.42 -0.13 0.00 0.03 0.00 0.00 46.19 44.65 1ulj s LEU 323 CO -0.07 -0.21 1.74 -2.65 0.23 0.00 0.00 176.35 175.39 1ulj n PRO 324 N 2.96 1.86 0.00 1.29 -0.02 -1.15 0.17 135.00 140.11 1ulj n PRO 324 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1ulj n PRO 324 Cb 0.34 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.99 2.89 0.35 -1.23 0.00 -1.26 -3.29 105.19 106.64 1ulj n GLY 325 Ca 0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 1.25 -0.70 -0.61 5.03 -1.74 -3.48 117.51 117.26 1ulj h ILE 326 Ca 0.00 -0.71 -0.17 0.00 -0.12 0.00 0.00 64.86 63.86 1ulj h ILE 326 Cb 0.00 0.22 -0.05 0.00 -3.03 0.00 0.00 36.82 33.96 1ulj h ILE 326 CO 0.00 0.30 -0.18 0.59 -0.68 0.00 0.00 178.15 178.18 1ulj n ASN 327 N -4.31 -3.65 -4.79 1.72 4.13 0.13 -4.85 115.26 103.63 1ulj n ASN 327 Ca 0.08 0.13 -0.39 0.00 1.68 0.00 0.00 54.58 56.08 1ulj n ASN 327 Cb 0.14 -2.29 -0.06 0.00 -1.54 0.00 0.00 39.78 36.04 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 -2.36 4.60 0.07 3.41 -1.32 -1.26 -2.22 115.64 116.57 1ulj s THR 328 Ca 0.00 1.44 0.04 0.00 -1.21 0.00 0.00 61.69 61.97 1ulj s THR 328 Cb 0.00 -4.01 -0.03 0.00 -1.51 0.00 0.00 72.50 66.95 1ulj s THR 328 CO 0.00 0.52 -0.12 -0.51 -2.21 0.00 0.00 174.62 172.30 1ulj s ILE 329 N -0.98 0.94 0.06 5.08 2.07 -0.25 -1.48 121.20 126.65 1ulj s ILE 329 Ca 0.32 -1.31 -0.27 0.00 -1.41 0.00 0.00 60.65 57.98 1ulj s ILE 329 Cb -0.21 -1.01 0.07 0.00 0.13 0.00 0.00 42.46 41.44 1ulj s ILE 329 CO 0.22 -0.33 0.67 0.00 -1.91 0.00 0.00 174.94 173.59 1ulj s ARG 330 N -1.90 1.14 -0.11 3.50 3.03 0.20 -1.42 118.95 123.38 1ulj s ARG 330 Ca -0.03 -0.16 -0.01 0.00 2.03 0.00 0.00 55.73 57.56 1ulj s ARG 330 Cb -0.09 0.53 -0.03 0.00 -1.03 0.00 0.00 34.95 34.34 1ulj s ARG 330 CO 0.01 -0.45 -0.07 0.00 -1.13 0.00 0.00 175.30 173.67 1ulj s ALA 331 N -2.65 2.92 -0.05 7.88 0.00 -0.97 -1.30 121.76 127.58 1ulj s ALA 331 Ca -0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1ulj s ALA 331 Cb -0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 1ulj s ALA 331 CO -0.04 0.37 0.36 -1.58 0.00 0.00 0.00 175.76 174.87 1ulj s TRP 332 N -0.12 3.66 -0.17 0.00 0.52 -0.80 -1.76 118.94 120.27 1ulj s TRP 332 Ca 0.01 0.86 -0.01 0.00 0.02 0.00 0.00 56.10 56.98 1ulj s TRP 332 Cb -0.13 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1ulj s TRP 332 CO 0.03 0.57 -0.11 -1.01 0.02 0.00 0.00 176.95 176.45 1ulj s HIS 333 N -0.75 2.85 0.49 -1.98 3.76 0.12 -4.87 115.29 114.92 1ulj s HIS 333 Ca 0.22 -0.93 -0.22 0.00 -0.15 0.00 0.00 55.06 53.98 1ulj s HIS 333 Cb -0.15 -1.95 -0.07 0.00 1.11 0.00 0.00 32.58 31.52 1ulj s HIS 333 CO 0.10 -0.44 1.15 -1.25 -0.85 0.00 0.00 174.74 173.46 1ulj s PRO 334 N 0.92 3.62 -0.36 8.40 0.04 -1.26 -1.45 135.00 144.90 1ulj s PRO 334 Ca -0.02 1.71 0.13 0.00 0.04 0.00 0.00 61.00 62.86 1ulj s PRO 334 Cb -0.15 -2.26 0.37 0.00 0.04 0.00 0.00 34.50 32.50 1ulj s PRO 334 CO -0.01 -0.65 0.80 0.54 0.04 0.00 0.00 177.00 177.72 1ulj n ARG 335 N -0.77 1.01 -0.14 4.56 5.12 -0.62 -4.41 116.66 121.41 1ulj n ARG 335 Ca 0.09 -3.27 0.02 0.00 -1.93 0.00 0.00 57.85 52.75 1ulj n ARG 335 Cb 0.49 -1.57 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.21 -1.65 0.28 -0.13 0.00 -1.26 -4.01 105.19 98.62 1ulj n GLY 336 Ca 0.21 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.92 1ulj n GLY 336 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ulj h PRO 337 N -0.13 0.00 -0.64 1.61 0.13 -1.86 -3.17 132.00 127.94 1ulj h PRO 337 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ulj h PRO 337 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1ulj h PRO 337 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1ulj n ASN 338 N -3.07 4.14 -3.63 1.44 3.02 -1.26 -3.17 115.26 112.73 1ulj n ASN 338 Ca 0.01 -2.19 -0.15 0.00 -0.03 0.00 0.00 54.58 52.21 1ulj n ASN 338 Cb 0.30 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.36 0.84 0.18 3.52 2.12 -1.11 -2.27 118.70 120.61 1ulj s GLU 339 Ca 0.47 0.37 0.02 0.00 0.36 0.00 0.00 54.97 56.19 1ulj s GLU 339 Cb 0.27 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 35.01 1ulj s GLU 339 CO 0.27 -0.21 -0.01 0.96 -0.54 0.00 0.00 175.26 175.74 1ulj s ILE 340 N -0.66 0.76 -0.04 -3.70 -4.36 -0.23 -1.59 121.20 111.38 1ulj s ILE 340 Ca -0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1ulj s ILE 340 Cb -0.03 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1ulj s ILE 340 CO 0.05 -0.48 0.00 -1.61 0.24 0.00 0.00 174.94 173.15 1ulj s GLU 341 N -3.89 2.88 -0.17 0.37 2.02 -0.53 -1.41 118.70 117.96 1ulj s GLU 341 Ca 0.24 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 1ulj s GLU 341 Cb 0.06 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1ulj s GLU 341 CO 0.04 0.66 -0.03 0.08 0.02 0.00 0.00 175.26 176.04 1ulj s VAL 342 N -1.00 3.88 -0.27 2.63 1.01 -0.61 -0.70 120.40 125.35 1ulj s VAL 342 Ca 0.17 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ulj s VAL 342 Cb -0.11 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.60 1ulj s VAL 342 CO 0.07 0.47 -0.09 0.26 0.00 0.00 0.00 175.10 175.81 1ulj s TRP 343 N 0.62 3.27 0.02 5.22 0.52 -0.72 -2.14 118.94 125.71 1ulj s TRP 343 Ca -0.02 -2.25 0.07 0.00 0.02 0.00 0.00 56.10 53.93 1ulj s TRP 343 Cb -0.14 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 1ulj s TRP 343 CO 0.02 -0.87 -0.21 0.00 0.02 0.00 0.00 176.95 175.91 1ulj s ALA 344 N 1.13 1.80 0.24 0.98 0.00 0.26 -2.29 121.76 123.87 1ulj s ALA 344 Ca -0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1ulj s ALA 344 Cb -0.20 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ulj s ALA 344 CO -0.04 0.42 0.52 -0.59 0.00 0.00 0.00 175.76 176.07 1ulj s PHE 345 N -0.67 0.15 -0.09 0.00 -0.12 -0.51 -1.48 117.98 115.26 1ulj s PHE 345 Ca 0.08 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1ulj s PHE 345 Cb -0.09 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1ulj s PHE 345 CO 0.01 -1.01 -0.12 0.99 -0.05 0.00 0.00 175.22 175.04 1ulj s THR 346 N -3.96 3.22 -0.06 -4.49 2.01 -1.26 -1.09 115.64 110.01 1ulj s THR 346 Ca 0.17 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1ulj s THR 346 Cb -0.02 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1ulj s THR 346 CO 0.05 0.56 -0.07 0.68 -0.69 0.00 0.00 174.62 175.16 1ulj s VAL 347 N -0.32 3.67 0.20 3.82 -7.23 -0.94 -0.71 120.40 118.88 1ulj s VAL 347 Ca 0.03 -0.51 0.10 0.00 -1.81 0.00 0.00 61.98 59.79 1ulj s VAL 347 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1ulj s VAL 347 CO 0.02 0.59 -0.19 0.68 -0.31 0.00 0.00 175.10 175.90 1ulj s VAL 348 N -0.81 2.03 0.26 1.32 -7.23 -0.08 -4.81 120.40 111.08 1ulj s VAL 348 Ca 0.13 -2.10 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 1ulj s VAL 348 Cb -0.11 -2.03 -0.12 0.00 0.56 0.00 0.00 36.38 34.69 1ulj s VAL 348 CO 0.02 -0.35 1.61 0.47 -0.31 0.00 0.00 175.10 176.54 1ulj n ASP 349 N -0.03 3.77 0.16 4.85 8.00 -1.26 -0.54 116.55 131.50 1ulj n ASP 349 Ca -0.10 1.12 0.02 0.00 0.71 0.00 0.00 54.79 56.54 1ulj n ASP 349 Cb 0.58 -1.57 0.27 0.00 -0.02 0.00 0.00 41.12 40.38 1ulj n ASP 349 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ulj h ALA 350 N 5.29 1.08 -0.36 2.24 0.00 -1.53 -2.83 119.26 123.15 1ulj h ALA 350 Ca -0.46 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1ulj h ALA 350 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ulj h ALA 350 CO 0.84 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 180.29 1ulj n ASP 351 N -3.79 2.47 -4.78 0.00 5.68 -1.26 -4.94 116.55 109.93 1ulj n ASP 351 Ca -0.01 -1.90 -0.35 0.00 -0.50 0.00 0.00 54.79 52.02 1ulj n ASP 351 Cb 0.53 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.26 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 -1.53 2.85 0.60 2.12 0.00 -1.07 -4.99 121.76 119.74 1ulj s ALA 352 Ca 0.34 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1ulj s ALA 352 Cb 0.18 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1ulj s ALA 352 CO 0.25 -0.54 0.94 -2.30 0.00 0.00 0.00 175.76 174.12 1ulj n PRO 353 N -0.90 0.88 0.29 0.00 -0.02 -1.26 -4.72 135.00 129.27 1ulj n PRO 353 Ca 0.09 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1ulj n PRO 353 Cb 0.51 -2.14 0.86 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.49 0.00 -0.17 -0.52 4.39 -1.98 -1.37 114.58 115.42 1ulj h GLU 354 Ca -0.48 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 1ulj h GLU 354 Cb 1.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1ulj h GLU 354 CO 0.51 0.05 -0.49 1.49 -1.16 0.00 0.00 179.01 179.40 1ulj h GLU 355 N 0.00 0.46 -0.00 2.33 4.81 -1.99 -2.10 114.58 118.08 1ulj h GLU 355 Ca -0.00 -0.26 -0.26 0.00 -0.13 0.00 0.00 59.36 58.71 1ulj h GLU 355 Cb 0.15 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ulj h GLU 355 CO 0.01 0.85 -1.00 1.98 -0.73 0.00 0.00 179.01 180.11 1ulj h MET 356 N 0.36 0.69 -0.75 1.92 4.05 -1.63 -2.00 114.93 117.57 1ulj h MET 356 Ca 0.02 -0.74 0.06 0.00 -0.28 0.00 0.00 59.70 58.76 1ulj h MET 356 Cb 1.00 0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 31.96 1ulj h MET 356 CO 0.09 1.31 0.49 0.87 0.23 0.00 0.00 176.91 179.90 1ulj h LYS 357 N 0.36 0.77 -0.17 0.39 1.57 -1.35 -0.90 116.57 117.25 1ulj h LYS 357 Ca -0.12 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.42 1ulj h LYS 357 Cb 1.66 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1ulj h LYS 357 CO 0.20 0.51 -0.67 1.49 -0.57 0.00 0.00 179.45 180.41 1ulj h GLU 358 N 0.80 0.68 -0.28 3.15 4.57 -1.37 -2.75 114.58 119.38 1ulj h GLU 358 Ca 0.32 -0.50 -0.19 0.00 -1.18 0.00 0.00 59.36 57.81 1ulj h GLU 358 Cb 0.24 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1ulj h GLU 358 CO -0.11 1.12 -0.57 1.49 -1.18 0.00 0.00 179.01 179.76 1ulj h GLU 359 N 0.49 0.86 -0.55 1.92 4.57 -0.98 -2.20 114.58 118.69 1ulj h GLU 359 Ca -0.02 -0.56 0.02 0.00 -1.18 0.00 0.00 59.36 57.62 1ulj h GLU 359 Cb 1.27 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 1ulj h GLU 359 CO 0.13 1.19 0.36 1.88 -1.18 0.00 0.00 179.01 181.40 1ulj h TYR 360 N 0.66 0.65 -0.14 0.92 -1.99 -1.23 -1.90 116.97 113.93 1ulj h TYR 360 Ca 0.01 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1ulj h TYR 360 Cb 1.18 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 1ulj h TYR 360 CO 0.07 0.40 -0.02 -0.09 -0.00 0.00 0.00 178.16 178.52 1ulj h ARG 361 N 0.69 0.27 -0.23 4.88 2.43 -1.12 -2.76 114.38 118.54 1ulj h ARG 361 Ca 0.21 -0.10 -0.20 0.00 -0.81 0.00 0.00 59.98 59.08 1ulj h ARG 361 Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1ulj h ARG 361 CO -0.05 0.53 -0.64 1.96 -1.51 0.00 0.00 179.97 180.26 1ulj h GLN 362 N -0.02 0.83 0.00 0.20 4.20 -1.31 -3.03 115.11 115.98 1ulj h GLN 362 Ca 0.04 -0.59 -0.18 0.00 0.06 0.00 0.00 58.65 57.99 1ulj h GLN 362 Cb 0.42 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1ulj h GLN 362 CO 0.01 1.21 -0.84 1.96 -0.67 0.00 0.00 178.83 180.50 1ulj h GLN 363 N 0.61 0.00 0.02 1.46 1.08 -1.42 -1.89 115.11 114.97 1ulj h GLN 363 Ca -0.01 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 1ulj h GLN 363 Cb 1.26 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.71 1ulj h GLN 363 CO 0.14 0.84 -0.95 0.00 -0.95 0.00 0.00 178.83 177.91 1ulj h THR 364 N 0.00 1.32 0.00 -0.54 1.03 -1.58 -2.34 112.91 110.81 1ulj h THR 364 Ca -0.01 -2.24 -0.01 0.00 -0.01 0.00 0.00 66.41 64.15 1ulj h THR 364 Cb 1.52 2.50 -0.00 0.00 -1.07 0.00 0.00 68.15 71.10 1ulj h THR 364 CO 0.11 0.68 -0.04 0.17 -0.01 0.00 0.00 175.52 176.43 1ulj h LEU 365 N 0.23 0.00 -0.58 0.00 8.10 -1.53 -0.59 115.31 120.93 1ulj h LEU 365 Ca -0.12 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.80 1ulj h LEU 365 Cb 1.63 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.84 1ulj h LEU 365 CO 0.19 0.04 -0.32 -0.09 -4.11 0.00 0.00 178.44 174.14 1ulj h ARG 366 N 0.00 0.00 0.00 0.17 2.43 -1.28 -3.36 114.38 112.35 1ulj h ARG 366 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ulj h ARG 366 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1ulj h ARG 366 CO 0.00 0.32 -0.25 0.25 -1.51 0.00 0.00 179.97 178.78 1ulj n THR 367 N -3.31 1.12 -3.11 0.20 -2.24 -0.89 0.20 114.28 106.24 1ulj n THR 367 Ca 0.01 0.30 -0.36 0.00 -2.27 0.00 0.00 64.05 61.74 1ulj n THR 367 Cb 0.56 -1.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.59 2.94 -4.01 4.78 3.72 -0.25 -1.67 117.46 119.38 1ulj n PHE 368 Ca -0.04 -3.25 -0.11 0.00 -0.05 0.00 0.00 57.45 54.00 1ulj n PHE 368 Cb 0.13 -0.94 -0.04 0.00 -0.94 0.00 0.00 39.48 37.70 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 -2.14 0.28 0.29 4.37 1.04 -1.26 -4.80 113.70 111.47 1ulj s SER 369 Ca 0.36 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.67 1ulj s SER 369 Cb 0.12 0.65 0.66 0.00 0.10 0.00 0.00 66.02 67.55 1ulj s SER 369 CO 0.02 -1.27 1.76 0.00 0.98 0.00 0.00 173.24 174.74 1ulj h ALA 370 N 2.17 1.50 -0.02 5.32 0.00 -1.91 -0.97 119.26 125.36 1ulj h ALA 370 Ca -0.28 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ulj h ALA 370 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ulj h ALA 370 CO 0.37 -0.09 -0.28 0.41 0.00 0.00 0.00 179.25 179.67 1ulj n GLY 371 N -1.33 0.34 3.77 0.00 0.00 -1.26 -4.14 105.19 102.56 1ulj n GLY 371 Ca 0.21 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.29 2.02 0.26 -0.02 0.00 -0.37 -4.83 107.32 102.09 1ulj s GLY 372 Ca 0.23 0.48 0.25 0.00 0.00 0.00 0.00 44.72 45.68 1ulj s GLY 372 CO 0.46 0.84 1.74 -0.39 0.00 0.00 0.00 173.10 175.75 1ulj h VAL 373 N -0.36 0.00 0.00 1.40 -1.51 -0.25 -2.13 116.25 113.40 1ulj h VAL 373 Ca -0.46 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1ulj h VAL 373 Cb 1.24 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1ulj h VAL 373 CO 0.53 0.00 -0.61 0.49 -1.23 0.00 0.00 177.57 176.75 1ulj n PHE 374 N -2.30 0.46 0.26 5.19 3.01 -0.86 -4.04 117.46 119.19 1ulj n PHE 374 Ca 0.03 0.20 0.15 0.00 1.01 0.00 0.00 57.45 58.84 1ulj n PHE 374 Cb 0.29 -0.58 0.63 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.85 0.00 -0.96 -1.08 4.81 -1.30 -2.30 114.58 112.90 1ulj h GLU 375 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1ulj h GLU 375 Cb 0.61 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.81 1ulj h GLU 375 CO 0.00 0.06 -0.19 1.96 -0.73 0.00 0.00 179.01 180.11 1ulj h GLN 376 N 0.00 0.00 0.01 1.92 4.20 -1.48 -2.21 115.11 117.56 1ulj h GLN 376 Ca -0.00 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1ulj h GLN 376 Cb 0.57 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1ulj h GLN 376 CO 0.01 0.00 -0.92 -0.44 -0.67 0.00 0.00 178.83 176.81 1ulj h ASP 377 N 0.00 0.20 -0.40 1.46 3.32 -1.68 -2.99 116.42 116.33 1ulj h ASP 377 Ca 0.48 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1ulj h ASP 377 Cb 0.79 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1ulj h ASP 377 CO -0.97 1.01 0.12 0.44 -1.72 0.00 0.00 179.24 178.12 1ulj h ASP 378 N 0.07 0.65 -0.59 6.45 5.19 -1.55 -2.27 116.42 124.37 1ulj h ASP 378 Ca -0.04 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.18 1ulj h ASP 378 Cb 1.57 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 1ulj h ASP 378 CO 0.14 0.64 0.03 1.23 -3.12 0.00 0.00 179.24 178.15 1ulj h GLY 379 N 0.88 1.10 1.04 2.75 0.00 -1.30 -1.83 103.07 105.71 1ulj h GLY 379 Ca 0.16 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 1ulj h GLY 379 CO -0.00 0.73 -0.15 -2.09 0.00 0.00 0.00 176.54 175.02 1ulj h GLU 380 N 0.92 0.88 0.17 4.80 4.57 -1.44 -2.83 114.58 121.64 1ulj h GLU 380 Ca 0.17 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1ulj h GLU 380 Cb 0.51 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1ulj h GLU 380 CO 0.02 1.00 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.87 1ulj h ASN 381 N 0.71 -0.19 -0.85 1.04 -0.26 -1.27 -3.00 115.58 111.76 1ulj h ASN 381 Ca 0.11 -0.28 0.13 0.00 -0.56 0.00 0.00 56.30 55.70 1ulj h ASN 381 Cb 0.70 0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.92 1ulj h ASN 381 CO 0.05 0.20 0.46 -0.50 -1.06 0.00 0.00 177.43 176.58 1ulj h TRP 382 N -0.61 0.82 -0.31 1.19 6.55 -1.43 -1.96 115.95 120.20 1ulj h TRP 382 Ca -0.02 0.03 -0.09 0.00 0.95 0.00 0.00 58.89 59.76 1ulj h TRP 382 Cb 0.45 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.50 1ulj h TRP 382 CO 0.04 0.25 -0.18 0.28 -1.05 0.00 0.00 178.44 177.79 1ulj h VAL 383 N 0.70 1.25 0.02 1.49 2.07 -1.50 -2.65 116.25 117.64 1ulj h VAL 383 Ca 0.44 -1.17 -0.23 0.00 0.82 0.00 0.00 66.70 66.56 1ulj h VAL 383 Cb 0.55 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1ulj h VAL 383 CO -0.32 0.38 -0.99 -0.33 0.02 0.00 0.00 177.57 176.34 1ulj h GLU 384 N 0.51 0.37 -0.54 1.57 4.39 -1.31 -2.83 114.58 116.73 1ulj h GLU 384 Ca 0.08 -0.43 0.08 0.00 0.34 0.00 0.00 59.36 59.43 1ulj h GLU 384 Cb 0.60 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 1ulj h GLU 384 CO 0.04 1.11 0.19 0.82 -1.16 0.00 0.00 179.01 180.01 1ulj h ILE 385 N 0.19 0.80 -0.16 3.13 2.04 -1.08 -2.25 117.51 120.17 1ulj h ILE 385 Ca -0.09 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1ulj h ILE 385 Cb 1.64 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1ulj h ILE 385 CO 0.17 0.07 -0.20 -0.61 0.00 0.00 0.00 178.15 177.57 1ulj h GLN 386 N 0.37 0.42 -0.97 2.37 5.75 -1.45 -2.94 115.11 118.65 1ulj h GLN 386 Ca 0.27 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1ulj h GLN 386 Cb 0.31 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1ulj h GLN 386 CO -0.28 0.81 0.64 1.96 -2.65 0.00 0.00 178.83 179.32 1ulj h GLN 387 N 0.05 1.23 -0.53 1.69 1.08 -1.45 -2.29 115.11 114.89 1ulj h GLN 387 Ca 0.02 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ulj h GLN 387 Cb 0.75 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1ulj h GLN 387 CO 0.05 0.81 0.35 0.28 -0.95 0.00 0.00 178.83 179.37 1ulj h VAL 388 N 1.26 1.14 0.00 -0.54 2.07 -1.35 -2.20 116.25 116.64 1ulj h VAL 388 Ca 0.38 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1ulj h VAL 388 Cb -0.05 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1ulj h VAL 388 CO -0.11 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1ulj n LEU 389 N -4.45 0.00 0.25 2.57 4.77 -0.86 -1.99 117.00 117.29 1ulj n LEU 389 Ca 0.05 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1ulj n LEU 389 Cb 0.05 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.76 1ulj n LEU 389 CO 0.36 0.00 0.91 0.03 -1.33 0.00 0.00 177.39 177.36 1ulj h ARG 390 N 0.00 0.00 -7.21 3.23 2.47 -1.43 -3.45 114.38 108.00 1ulj h ARG 390 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1ulj h ARG 390 Cb 0.00 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.36 1ulj h ARG 390 CO 0.00 0.12 0.38 0.20 0.56 0.00 0.00 179.97 181.23 1ulj s GLY 391 N -4.23 2.05 -0.12 0.04 0.00 -0.84 -5.01 107.32 99.21 1ulj s GLY 391 Ca -0.00 0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.69 1ulj s GLY 391 CO 0.59 0.55 0.80 0.84 0.00 0.00 0.00 173.10 175.88 1ulj h HIS 392 N 0.54 0.08 0.00 1.90 2.76 -1.89 -3.02 115.15 115.53 1ulj h HIS 392 Ca -0.46 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 57.60 1ulj h HIS 392 Cb 1.20 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1ulj h HIS 392 CO 0.61 1.04 -0.24 0.87 -1.30 0.00 0.00 177.93 178.91 1ulj h LYS 393 N -0.89 0.00 -0.01 5.26 1.79 -1.97 -2.50 116.57 118.25 1ulj h LYS 393 Ca -0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1ulj h LYS 393 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1ulj h LYS 393 CO 0.02 0.24 -0.23 0.00 -1.08 0.00 0.00 179.45 178.40 1ulj h ALA 394 N 1.76 1.61 -0.30 3.86 0.00 -1.86 -2.42 119.26 121.92 1ulj h ALA 394 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ulj h ALA 394 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ulj h ALA 394 CO 0.03 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.12 1ulj n ARG 395 N -4.26 2.32 -0.10 0.00 1.74 -0.97 -4.51 116.66 110.88 1ulj n ARG 395 Ca -0.02 -1.98 0.10 0.00 -0.77 0.00 0.00 57.85 55.17 1ulj n ARG 395 Cb 0.29 -1.48 0.14 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.22 2.94 -3.90 0.55 3.41 -0.91 -4.50 113.62 112.43 1ulj n SER 396 Ca 0.18 -1.87 -0.13 0.00 -0.26 0.00 0.00 58.87 56.80 1ulj n SER 396 Cb 0.55 -0.14 -0.14 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 -1.39 0.12 0.43 4.33 0.52 -1.25 -5.07 118.95 116.64 1ulj s ARG 397 Ca 0.28 -0.06 -0.24 0.00 -0.52 0.00 0.00 55.73 55.19 1ulj s ARG 397 Cb 0.18 -0.10 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 1ulj s ARG 397 CO 0.25 0.03 1.18 -1.25 0.02 0.00 0.00 175.30 175.53 1ulj s PRO 398 N -0.07 3.92 0.60 3.54 0.04 -1.26 -4.52 135.00 137.24 1ulj s PRO 398 Ca 0.00 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 1ulj s PRO 398 Cb -0.01 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1ulj s PRO 398 CO -0.00 -0.44 1.07 -0.06 0.04 0.00 0.00 177.00 177.61 1ulj s PHE 399 N -1.46 2.93 -0.57 0.56 2.99 0.11 -4.85 117.98 117.70 1ulj s PHE 399 Ca 0.60 1.52 -0.24 0.00 0.00 0.00 0.00 56.93 58.81 1ulj s PHE 399 Cb -0.30 -3.04 0.05 0.00 0.00 0.00 0.00 43.02 39.72 1ulj s PHE 399 CO 0.38 -1.19 0.94 1.21 -0.00 0.00 0.00 175.22 176.55 1ulj s ASN 400 N -2.68 6.31 -0.62 1.36 3.84 -1.26 -2.24 114.94 119.65 1ulj s ASN 400 Ca 0.65 -0.45 0.02 0.00 0.21 0.00 0.00 52.86 53.28 1ulj s ASN 400 Cb -0.17 -2.43 0.39 0.00 -0.55 0.00 0.00 41.25 38.49 1ulj s ASN 400 CO 0.36 -1.25 1.55 0.00 -2.79 0.00 0.00 177.10 174.97 1ulj n ALA 401 N 7.49 5.75 0.60 1.71 0.00 -0.22 -4.77 120.51 131.07 1ulj n ALA 401 Ca 0.01 -4.16 0.06 0.00 0.00 0.00 0.00 53.44 49.35 1ulj n ALA 401 Cb 0.47 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.54 2.31 -1.67 0.00 0.28 -1.21 -4.30 120.64 115.50 1ulj n GLU 402 Ca 0.47 -0.37 -0.46 0.00 -0.16 0.00 0.00 57.16 56.64 1ulj n GLU 402 Cb 0.50 -1.15 -0.04 0.00 1.43 0.00 0.00 31.44 32.18 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 -0.73 2.21 -1.03 3.44 1.56 -1.26 -2.05 117.12 119.25 1ulj n MET 403 Ca 0.04 0.80 -0.01 0.00 -0.27 0.00 0.00 57.70 58.26 1ulj n MET 403 Cb 0.24 -2.60 -0.00 0.00 2.15 0.00 0.00 33.22 33.00 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 3.79 0.49 3.68 -5.12 0.00 -1.26 -1.98 105.19 104.79 1ulj n GLY 404 Ca 0.19 -0.36 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 1ulj n GLY 404 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ulj n LEU 405 N -0.12 3.45 0.00 0.99 4.77 -0.87 -2.32 117.00 122.90 1ulj n LEU 405 Ca -0.01 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 1ulj n LEU 405 Cb 0.08 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1ulj n LEU 405 CO 0.02 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1ulj n GLY 406 N 4.09 2.83 2.55 -0.72 0.00 -1.26 -4.92 105.19 107.77 1ulj n GLY 406 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.20 -4.47 1.61 6.02 -0.98 -4.92 117.38 116.83 1ulj n GLN 407 Ca 0.00 -3.28 -0.29 0.00 -0.01 0.00 0.00 57.00 53.42 1ulj n GLN 407 Cb 0.00 -2.74 -0.06 0.00 1.02 0.00 0.00 30.24 28.45 1ulj n GLN 407 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ulj n THR 408 N 2.45 0.00 -3.15 5.09 -2.24 -1.26 -4.37 114.28 110.80 1ulj n THR 408 Ca 0.59 -2.26 0.04 0.00 -2.27 0.00 0.00 64.05 60.15 1ulj n THR 408 Cb 0.28 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 69.04 1ulj n THR 408 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulj s ASP 409 N -3.58 -1.17 0.00 3.42 2.15 -0.68 -4.96 116.67 111.85 1ulj s ASP 409 Ca 0.05 0.50 0.27 0.00 0.43 0.00 0.00 52.55 53.79 1ulj s ASP 409 Cb 0.00 1.89 0.89 0.00 -0.30 0.00 0.00 42.92 45.40 1ulj s ASP 409 CO 0.03 -0.22 1.65 -1.20 -0.17 0.00 0.00 175.17 175.26 1ulj n SER 410 N 5.40 1.41 -2.46 -0.34 7.64 -1.26 -1.56 113.62 122.46 1ulj n SER 410 Ca 0.00 -1.31 -0.20 0.00 1.01 0.00 0.00 58.87 58.37 1ulj n SER 410 Cb 0.53 0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 1ulj n SER 410 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ulj n ASP 411 N -0.06 3.78 -4.71 6.43 2.03 -1.26 -4.67 116.55 118.09 1ulj n ASP 411 Ca 0.16 -3.36 -0.42 0.00 0.52 0.00 0.00 54.79 51.69 1ulj n ASP 411 Cb 0.37 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 1ulj n ASP 411 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ulj s ASN 412 N -3.48 6.77 0.30 1.67 3.84 -1.26 -4.96 114.94 117.82 1ulj s ASN 412 Ca 0.42 2.36 0.06 0.00 0.21 0.00 0.00 52.86 55.92 1ulj s ASN 412 Cb 0.41 -2.58 0.49 0.00 -0.55 0.00 0.00 41.25 39.01 1ulj s ASN 412 CO -0.08 -0.70 1.73 1.55 -2.79 0.00 0.00 177.10 176.80 1ulj h PRO 413 N 7.01 0.26 0.00 0.43 0.13 -1.98 -3.32 132.00 134.53 1ulj h PRO 413 Ca -0.42 -0.11 -0.16 0.00 -0.87 0.00 0.00 66.00 64.44 1ulj h PRO 413 Cb 1.20 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1ulj h PRO 413 CO 0.88 0.60 -1.65 -0.25 -0.23 0.00 0.00 178.00 177.34 1ulj n ASP 414 N -4.06 0.56 -3.89 1.44 10.43 -1.26 -4.90 116.55 114.87 1ulj n ASP 414 Ca -0.01 0.24 -0.27 0.00 2.57 0.00 0.00 54.79 57.32 1ulj n ASP 414 Cb 0.45 0.65 -0.17 0.00 1.84 0.00 0.00 41.12 43.89 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 -2.99 1.43 0.65 1.24 1.51 -1.25 -5.13 117.35 112.81 1ulj s TYR 415 Ca -0.05 -0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 55.15 1ulj s TYR 415 Cb 0.09 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1ulj s TYR 415 CO 0.83 -0.51 1.06 -1.25 -1.11 0.00 0.00 175.55 174.57 1ulj s PRO 416 N 1.73 3.09 0.28 -1.71 0.04 -1.26 -4.46 135.00 132.70 1ulj s PRO 416 Ca 0.04 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1ulj s PRO 416 Cb -0.13 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ulj s PRO 416 CO -0.08 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1ulj n GLY 417 N -1.55 -1.80 3.62 0.56 0.00 -1.26 -4.85 105.19 99.90 1ulj n GLY 417 Ca 0.08 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 5.10 -0.09 2.61 2.01 -0.45 -4.38 115.64 120.44 1ulj s THR 418 Ca 0.00 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1ulj s THR 418 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1ulj s THR 418 CO 0.00 0.12 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.33 1ulj s ILE 419 N 2.17 3.54 0.35 1.82 1.09 -0.60 -0.17 121.20 129.40 1ulj s ILE 419 Ca 0.20 -0.52 0.04 0.00 -1.10 0.00 0.00 60.65 59.26 1ulj s ILE 419 Cb -0.16 -2.46 -0.03 0.00 -1.06 0.00 0.00 42.46 38.75 1ulj s ILE 419 CO 0.09 0.57 0.15 -0.44 -0.10 0.00 0.00 174.94 175.21 1ulj s SER 420 N -0.43 2.07 0.77 3.58 0.01 -0.19 -1.69 113.70 117.82 1ulj s SER 420 Ca 0.06 -1.61 -0.14 0.00 1.31 0.00 0.00 55.95 55.57 1ulj s SER 420 Cb -0.12 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.58 1ulj s SER 420 CO 0.02 -0.90 1.21 -0.47 0.41 0.00 0.00 173.24 173.52 1ulj s TYR 421 N -3.42 1.91 0.45 2.43 6.04 -1.26 -0.76 117.35 122.73 1ulj s TYR 421 Ca 0.32 1.63 0.12 0.00 0.04 0.00 0.00 57.07 59.18 1ulj s TYR 421 Cb 0.04 -3.50 1.00 0.00 -1.04 0.00 0.00 41.96 38.47 1ulj s TYR 421 CO 0.17 -2.78 2.03 -0.24 -1.54 0.00 0.00 175.55 173.19 1ulj h VAL 422 N -0.58 1.10 -3.32 3.14 3.04 -1.65 -3.33 116.25 114.65 1ulj h VAL 422 Ca -0.47 -0.41 -0.67 0.00 -1.01 0.00 0.00 66.70 64.14 1ulj h VAL 422 Cb 1.30 1.07 -0.17 0.00 -2.01 0.00 0.00 31.29 31.48 1ulj h VAL 422 CO 0.48 0.13 0.11 -0.31 -1.01 0.00 0.00 177.57 176.97 1ulj s TYR 423 N -4.92 3.03 -0.24 3.17 4.12 -1.26 -4.47 117.35 116.77 1ulj s TYR 423 Ca -0.05 -0.38 -0.30 0.00 0.02 0.00 0.00 57.07 56.36 1ulj s TYR 423 Cb 0.16 -3.54 0.17 0.00 -1.52 0.00 0.00 41.96 37.23 1ulj s TYR 423 CO 0.70 -1.03 1.22 0.45 0.02 0.00 0.00 175.55 176.92 1ulj s SER 424 N 2.55 -0.16 -0.32 2.29 0.15 -1.25 -4.75 113.70 112.20 1ulj s SER 424 Ca 0.18 0.18 0.09 0.00 0.70 0.00 0.00 55.95 57.09 1ulj s SER 424 Cb -0.17 0.13 0.58 0.00 -1.71 0.00 0.00 66.02 64.84 1ulj s SER 424 CO 0.14 -0.15 1.61 -0.62 1.20 0.00 0.00 173.24 175.42 1ulj n GLU 425 N 0.60 2.28 0.03 5.44 1.02 -0.84 -4.66 120.64 124.51 1ulj n GLU 425 Ca -0.04 -3.09 -0.13 0.00 -0.02 0.00 0.00 57.16 53.88 1ulj n GLU 425 Cb 0.59 -1.95 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1ulj n GLU 425 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ulj h GLU 426 N 1.28 -0.09 -0.98 3.49 4.57 -1.90 -1.25 114.58 119.70 1ulj h GLU 426 Ca 0.30 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.63 1ulj h GLU 426 Cb 2.00 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 30.53 1ulj h GLU 426 CO 0.58 0.27 0.62 0.00 -1.18 0.00 0.00 179.01 179.30 1ulj h ALA 427 N 0.42 1.63 -0.29 2.92 0.00 -1.84 -1.62 119.26 120.48 1ulj h ALA 427 Ca -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ulj h ALA 427 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ulj h ALA 427 CO 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.30 1ulj h ALA 428 N 1.58 0.39 -0.99 0.00 0.00 -1.81 -1.38 119.26 117.05 1ulj h ALA 428 Ca 0.51 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.25 1ulj h ALA 428 Cb 0.64 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1ulj h ALA 428 CO -0.28 0.20 0.63 0.00 0.00 0.00 0.00 179.25 179.80 1ulj h ARG 429 N 0.31 1.00 -0.56 0.00 3.08 -0.65 -0.78 114.38 116.78 1ulj h ARG 429 Ca 0.07 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1ulj h ARG 429 Cb 0.54 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1ulj h ARG 429 CO 0.03 0.66 0.05 0.78 -1.07 0.00 0.00 179.97 180.42 1ulj h GLY 430 N 1.03 1.00 0.92 0.04 0.00 -0.90 0.20 103.07 105.35 1ulj h GLY 430 Ca 0.47 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ulj h GLY 430 CO -0.24 0.61 0.11 -2.00 0.00 0.00 0.00 176.54 175.03 1ulj h LEU 431 N 0.87 0.35 -0.53 3.11 6.46 -0.08 -1.19 115.31 124.30 1ulj h LEU 431 Ca 0.17 -0.15 -0.15 0.00 -0.12 0.00 0.00 57.88 57.63 1ulj h LEU 431 Cb 0.44 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1ulj h LEU 431 CO 0.02 0.40 -0.73 1.88 -0.62 0.00 0.00 178.44 179.38 1ulj h TYR 432 N 0.28 0.01 -0.18 1.25 -1.99 -0.94 -0.62 116.97 114.78 1ulj h TYR 432 Ca 0.09 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 1ulj h TYR 432 Cb 0.15 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1ulj h TYR 432 CO -0.01 0.74 -0.29 1.15 -0.00 0.00 0.00 178.16 179.74 1ulj h THR 433 N 0.00 1.27 -0.08 -2.88 2.02 -0.53 -0.73 112.91 111.98 1ulj h THR 433 Ca -0.01 -1.27 -0.20 0.00 0.77 0.00 0.00 66.41 65.70 1ulj h THR 433 Cb 1.30 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1ulj h THR 433 CO 0.10 0.39 -0.77 -0.61 0.37 0.00 0.00 175.52 174.99 1ulj h GLN 434 N 0.30 0.48 -0.26 6.66 5.75 -0.93 -2.26 115.11 124.86 1ulj h GLN 434 Ca 0.04 -0.41 0.06 0.00 -0.15 0.00 0.00 58.65 58.19 1ulj h GLN 434 Cb 0.67 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.25 1ulj h GLN 434 CO 0.05 1.05 -0.12 2.35 -2.65 0.00 0.00 178.83 179.51 1ulj h TRP 435 N 0.32 -0.27 -0.69 3.99 7.01 -0.76 -1.37 115.95 124.17 1ulj h TRP 435 Ca -0.04 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.06 1ulj h TRP 435 Cb 1.37 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 28.53 1ulj h TRP 435 CO 0.06 -0.18 0.36 0.28 -2.79 0.00 0.00 178.44 176.17 1ulj h VAL 436 N -0.08 0.91 -0.11 2.65 2.07 -1.02 -1.09 116.25 119.59 1ulj h VAL 436 Ca 0.14 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ulj h VAL 436 Cb 0.28 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ulj h VAL 436 CO -0.31 0.12 -0.00 0.03 0.02 0.00 0.00 177.57 177.42 1ulj h ARG 437 N 0.65 0.19 -0.51 1.57 3.08 -0.96 -1.49 114.38 116.91 1ulj h ARG 437 Ca 0.32 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1ulj h ARG 437 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1ulj h ARG 437 CO -0.22 0.45 0.04 0.52 -1.07 0.00 0.00 179.97 179.69 1ulj h MET 438 N -0.09 0.82 0.00 0.04 2.86 -1.14 -2.30 114.93 115.12 1ulj h MET 438 Ca 0.03 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1ulj h MET 438 Cb 0.37 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1ulj h MET 438 CO 0.01 0.80 -0.13 0.52 1.06 0.00 0.00 176.91 179.17 1ulj h MET 439 N 0.77 0.00 -0.25 1.72 2.86 -0.99 -3.07 114.93 115.97 1ulj h MET 439 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1ulj h MET 439 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1ulj h MET 439 CO 0.01 0.13 0.00 0.25 1.06 0.00 0.00 176.91 178.36 1ulj n THR 440 N -3.20 1.24 -3.95 2.22 -2.24 -0.58 -4.94 114.28 102.84 1ulj n THR 440 Ca 0.02 -1.19 -0.35 0.00 -2.27 0.00 0.00 64.05 60.25 1ulj n THR 440 Cb 0.45 0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.23 4.07 0.53 3.42 0.01 -0.88 -5.01 113.70 114.61 1ulj s SER 441 Ca 0.22 -0.46 0.29 0.00 1.31 0.00 0.00 55.95 57.31 1ulj s SER 441 Cb 0.14 -1.69 1.49 0.00 0.21 0.00 0.00 66.02 66.17 1ulj s SER 441 CO 0.11 -0.02 2.07 -0.65 0.41 0.00 0.00 173.24 175.17 1ulj h PRO 442 N 8.08 0.00 -3.37 12.44 0.11 -1.91 -3.46 132.00 143.88 1ulj h PRO 442 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1ulj h PRO 442 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1ulj h PRO 442 CO 0.61 0.10 0.13 0.16 -0.21 0.00 0.00 178.00 178.80 1ulj s ASP 443 N -6.04 0.38 0.42 -2.05 3.84 -1.26 -5.05 116.67 106.91 1ulj s ASP 443 Ca -0.02 -1.33 0.21 0.00 -0.00 0.00 0.00 52.55 51.41 1ulj s ASP 443 Cb 0.13 0.81 0.90 0.00 -1.38 0.00 0.00 42.92 43.37 1ulj s ASP 443 CO 0.57 -1.61 1.83 -0.50 -0.00 0.00 0.00 175.17 175.46 1ulj h TRP 444 N 2.02 0.00 -0.42 2.11 4.06 -1.89 -2.64 115.95 119.19 1ulj h TRP 444 Ca -0.32 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.65 1ulj h TRP 444 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 1ulj h TRP 444 CO 1.56 0.29 0.24 0.00 -3.56 0.00 0.00 178.44 176.96 1ulj h ALA 445 N 1.71 0.53 0.00 1.49 0.00 -1.97 0.17 119.26 121.19 1ulj h ALA 445 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ulj h ALA 445 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ulj h ALA 445 CO 0.04 -0.09 -0.27 0.00 0.00 0.00 0.00 179.25 178.93 1ulj h ALA 446 N 1.19 0.94 -0.12 0.00 0.00 -1.91 -2.45 119.26 116.92 1ulj h ALA 446 Ca 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1ulj h ALA 446 Cb 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ulj h ALA 446 CO -0.09 0.33 -0.55 1.25 0.00 0.00 0.00 179.25 180.20 1ulj h LEU 447 N 0.00 0.69 -2.20 0.00 5.85 -1.06 -3.01 115.31 115.58 1ulj h LEU 447 Ca -0.00 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 1ulj h LEU 447 Cb 0.90 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1ulj h LEU 447 CO 0.03 1.21 -0.05 0.44 -0.34 0.00 0.00 178.44 179.74 1ulj h ASP 448 N 0.21 0.00 0.60 1.25 3.32 -0.55 -2.58 116.42 118.67 1ulj h ASP 448 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ulj h ASP 448 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ulj h ASP 448 CO 0.11 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1ulj n ALA 449 N -2.36 1.65 0.65 3.45 0.00 -0.94 -2.47 120.51 120.50 1ulj n ALA 449 Ca -0.03 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1ulj n ALA 449 Cb 0.13 -1.30 0.26 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.83 0.39 1.17 0.00 -2.24 -0.97 -5.10 114.28 105.69 1ulj n THR 450 Ca 0.03 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.30 1ulj n THR 450 Cb 0.19 0.77 0.55 0.00 -2.10 0.00 0.00 70.33 69.75 1ulj n THR 450 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04