#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjj n ALA 0 N 0.00 2.08 0.00 5.41 0.00 -1.26 -5.12 120.51 121.62 3hjj n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hjj n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hjj n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hjj n LYS 2 N 0.68 0.00 -3.86 0.00 4.81 -1.26 -5.23 118.16 113.31 3hjj n LYS 2 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3hjj n LYS 2 Cb 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.32 3hjj n LYS 2 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3hjj s THR 3 N -0.20 1.96 0.37 3.15 -4.23 -1.26 -5.00 115.64 110.43 3hjj s THR 3 Ca 0.00 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 3hjj s THR 3 Cb 0.00 -2.45 0.23 0.00 1.34 0.00 0.00 72.50 71.62 3hjj s THR 3 CO 0.00 0.00 1.99 -0.33 -0.54 0.00 0.00 174.62 175.74 3hjj h GLU 4 N 0.91 0.58 -0.63 3.99 4.39 -2.00 -2.27 114.58 119.56 3hjj h GLU 4 Ca -0.39 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3hjj h GLU 4 Cb 1.29 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3hjj h GLU 4 CO 0.59 0.46 0.38 -0.22 -1.16 0.00 0.00 179.01 179.06 3hjj h LYS 5 N 0.59 0.85 -0.65 2.33 3.64 -1.95 -2.14 116.57 119.24 3hjj h LYS 5 Ca 0.15 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3hjj h LYS 5 Cb 0.07 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 3hjj h LYS 5 CO -0.02 0.61 0.37 -0.44 -2.27 0.00 0.00 179.45 177.70 3hjj h ASP 6 N 0.85 0.58 0.00 4.20 3.32 -1.81 -1.50 116.42 122.06 3hjj h ASP 6 Ca 0.23 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hjj h ASP 6 Cb -0.03 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3hjj h ASP 6 CO -0.04 0.39 0.00 0.29 -1.72 0.00 0.00 179.24 178.15 3hjj n LYS 7 N -4.76 0.32 0.00 3.56 5.02 -0.81 -2.17 118.16 119.32 3hjj n LYS 7 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hjj n LYS 7 Cb 0.14 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3hjj n LYS 7 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hjj n LEU 9 N 0.74 0.00 -0.38 -0.35 4.77 -0.57 -1.09 117.00 120.12 3hjj n LEU 9 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3hjj n LEU 9 Cb 0.15 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.83 3hjj n LEU 9 CO 0.00 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 176.96 3hjj n ALA 10 N 0.00 2.62 -1.01 -1.18 0.00 -0.92 -4.79 120.51 115.23 3hjj n ALA 10 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hjj n ALA 10 Cb 0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 3hjj n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjj n GLY 11 N 1.15 0.40 0.00 0.00 0.00 -1.03 -5.08 105.19 100.64 3hjj n GLY 11 Ca 0.20 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3hjj n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hjj n GLU 12 N -2.99 0.00 0.00 1.61 1.02 -0.25 -4.49 120.64 115.54 3hjj n GLU 12 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hjj n GLU 12 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3hjj n GLU 12 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 3hjj n TYR 14 N 0.00 0.00 -2.65 -0.32 4.11 0.04 -4.60 117.16 113.74 3hjj n TYR 14 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 3hjj n TYR 14 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 3hjj n TYR 14 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3hjj s ILE 15 N -2.00 4.26 0.45 -3.48 1.01 -1.26 -1.63 121.20 118.55 3hjj s ILE 15 Ca 0.00 1.11 0.13 0.00 0.00 0.00 0.00 60.65 61.89 3hjj s ILE 15 Cb 0.00 -4.57 0.21 0.00 0.01 0.00 0.00 42.46 38.11 3hjj s ILE 15 CO 0.00 -0.98 2.02 0.00 0.00 0.00 0.00 174.94 175.98 3hjj h ALA 16 N 9.20 1.73 -0.47 9.38 0.00 -1.85 -2.25 119.26 135.00 3hjj h ALA 16 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hjj h ALA 16 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hjj h ALA 16 CO 1.11 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 180.31 3hjj n ASP 17 N -4.38 3.45 -4.60 0.00 8.00 -1.26 -4.25 116.55 113.51 3hjj n ASP 17 Ca -0.02 -2.28 -0.46 0.00 0.71 0.00 0.00 54.79 52.75 3hjj n ASP 17 Cb 0.19 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 3hjj n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hjj n ASP 18 N 0.77 1.47 -0.05 -2.24 -0.08 -0.85 -4.75 116.55 110.81 3hjj n ASP 18 Ca 0.18 1.17 -0.02 0.00 -1.51 0.00 0.00 54.79 54.61 3hjj n ASP 18 Cb 0.64 -1.28 0.22 0.00 2.34 0.00 0.00 41.12 43.04 3hjj n ASP 18 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3hjj h GLU 19 N 2.59 0.65 -0.55 -0.67 5.08 -1.91 -1.35 114.58 118.43 3hjj h GLU 19 Ca -0.41 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3hjj h GLU 19 Cb 1.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3hjj h GLU 19 CO 0.65 0.68 0.19 1.49 -1.00 0.00 0.00 179.01 181.02 3hjj h GLU 20 N 0.62 0.83 -0.22 2.33 4.81 -1.97 -1.21 114.58 119.76 3hjj h GLU 20 Ca 0.12 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3hjj h GLU 20 Cb 0.41 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3hjj h GLU 20 CO 0.02 0.74 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.93 3hjj h LEU 21 N 0.75 0.42 -0.44 1.64 3.38 -1.74 -0.78 115.31 118.55 3hjj h LEU 21 Ca 0.18 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3hjj h LEU 21 Cb 0.24 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3hjj h LEU 21 CO -0.01 0.67 0.08 0.58 0.09 0.00 0.00 178.44 179.85 3hjj h VAL 22 N 0.16 0.75 -0.61 1.22 2.07 -1.23 -0.92 116.25 117.70 3hjj h VAL 22 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hjj h VAL 22 Cb 0.48 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3hjj h VAL 22 CO 0.02 0.04 0.29 0.00 0.02 0.00 0.00 177.57 177.93 3hjj h ALA 23 N 1.34 1.37 -0.55 1.67 0.00 -1.07 -0.78 119.26 121.24 3hjj h ALA 23 Ca 0.21 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hjj h ALA 23 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hjj h ALA 23 CO -0.29 0.49 -0.09 -0.44 0.00 0.00 0.00 179.25 178.92 3hjj h ASP 24 N 0.85 1.03 -0.44 0.00 3.45 -0.43 -1.37 116.42 119.52 3hjj h ASP 24 Ca 0.21 -0.35 -0.14 0.00 0.43 0.00 0.00 57.03 57.19 3hjj h ASP 24 Cb 0.09 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 3hjj h ASP 24 CO -0.03 1.14 -0.26 0.03 -1.57 0.00 0.00 179.24 178.54 3hjj h ARG 25 N 0.91 0.97 -0.37 3.56 3.08 -0.80 -0.69 114.38 121.04 3hjj h ARG 25 Ca 0.14 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3hjj h ARG 25 Cb 0.66 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hjj h ARG 25 CO 0.05 1.11 0.19 0.28 -1.07 0.00 0.00 179.97 180.53 3hjj h VAL 26 N 0.81 1.15 -0.65 2.04 2.07 -1.07 -1.32 116.25 119.28 3hjj h VAL 26 Ca 0.09 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3hjj h VAL 26 Cb 0.85 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3hjj h VAL 26 CO 0.07 0.16 0.36 -0.08 0.02 0.00 0.00 177.57 178.10 3hjj h GLU 27 N 0.47 0.90 -0.64 1.57 4.81 -1.12 -2.05 114.58 118.52 3hjj h GLU 27 Ca 0.13 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3hjj h GLU 27 Cb 0.08 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3hjj h GLU 27 CO -0.02 0.68 0.41 0.00 -0.73 0.00 0.00 179.01 179.35 3hjj h ALA 28 N 1.18 0.82 -0.73 2.92 0.00 -0.74 -1.24 119.26 121.47 3hjj h ALA 28 Ca 0.23 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hjj h ALA 28 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hjj h ALA 28 CO -0.04 0.20 0.25 0.87 0.00 0.00 0.00 179.25 180.54 3hjj h LYS 29 N 0.83 1.11 -0.36 0.00 1.57 -1.05 0.32 116.57 118.99 3hjj h LYS 29 Ca 0.24 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3hjj h LYS 29 Cb -0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3hjj h LYS 29 CO -0.07 0.93 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.56 3hjj h ARG 30 N 1.07 0.70 -0.20 3.15 2.43 -0.99 -1.41 114.38 119.13 3hjj h ARG 30 Ca 0.24 -0.27 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 3hjj h ARG 30 Cb 0.26 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3hjj h ARG 30 CO -0.01 0.85 -0.60 1.25 -1.51 0.00 0.00 179.97 179.95 3hjj h LEU 31 N 0.49 0.75 -0.89 3.80 5.85 -1.08 -3.02 115.31 121.21 3hjj h LEU 31 Ca 0.09 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3hjj h LEU 31 Cb 0.59 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3hjj h LEU 31 CO 0.04 1.17 0.56 0.74 -0.34 0.00 0.00 178.44 180.61 3hjj h THR 32 N 0.49 1.09 -0.41 1.05 2.02 -0.24 0.17 112.91 117.09 3hjj h THR 32 Ca -0.00 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3hjj h THR 32 Cb 1.18 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3hjj h THR 32 CO 0.12 0.19 0.25 -0.09 0.37 0.00 0.00 175.52 176.36 3hjj h ARG 33 N 1.05 0.55 -0.53 6.66 2.43 -1.18 0.72 114.38 124.08 3hjj h ARG 33 Ca 0.37 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3hjj h ARG 33 Cb 0.11 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3hjj h ARG 33 CO -0.15 0.41 0.30 -0.07 -1.51 0.00 0.00 179.97 178.95 3hjj h LEU 34 N 0.53 0.65 0.15 3.80 3.38 -1.34 -1.86 115.31 120.63 3hjj h LEU 34 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hjj h LEU 34 Cb -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hjj h LEU 34 CO -0.03 0.54 -0.15 0.22 0.09 0.00 0.00 178.44 179.12 3hjj h TYR 35 N 0.71 -0.38 -0.93 1.13 5.03 -0.53 -0.63 116.97 121.37 3hjj h TYR 35 Ca 0.19 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.57 3hjj h TYR 35 Cb 0.02 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 3hjj h TYR 35 CO -0.02 -0.22 0.59 -0.91 -1.32 0.00 0.00 178.16 176.27 3hjj h ASN 36 N -0.32 0.93 -0.39 -2.11 2.35 -0.79 -0.57 115.58 114.67 3hjj h ASN 36 Ca 0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3hjj h ASN 36 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3hjj h ASN 36 CO -0.04 0.59 0.26 -0.33 -1.65 0.00 0.00 177.43 176.25 3hjj h GLU 37 N 1.06 0.51 -0.41 0.81 5.08 -1.08 -0.64 114.58 119.90 3hjj h GLU 37 Ca 0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3hjj h GLU 37 Cb 0.18 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hjj h GLU 37 CO -0.18 0.34 0.27 0.00 -1.00 0.00 0.00 179.01 178.44 3hjj h ALA 38 N 1.15 0.52 -0.09 3.43 0.00 -0.07 -0.83 119.26 123.37 3hjj h ALA 38 Ca 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3hjj h ALA 38 Cb -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hjj h ALA 38 CO -0.04 -0.02 -0.75 -0.24 0.00 0.00 0.00 179.25 178.20 3hjj h VAL 39 N 0.56 1.36 -0.85 0.00 3.04 -1.05 -0.44 116.25 118.87 3hjj h VAL 39 Ca 0.15 -2.13 -0.00 0.00 -1.01 0.00 0.00 66.70 63.71 3hjj h VAL 39 Cb -0.06 2.11 -0.04 0.00 -2.01 0.00 0.00 31.29 31.28 3hjj h VAL 39 CO -0.03 0.65 0.52 -0.33 -1.01 0.00 0.00 177.57 177.36 3hjj h GLU 40 N 0.32 1.15 -0.01 4.17 5.08 -0.90 -2.53 114.58 121.86 3hjj h GLU 40 Ca -0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hjj h GLU 40 Cb 1.34 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hjj h GLU 40 CO 0.13 0.80 -0.11 0.25 -1.00 0.00 0.00 179.01 179.08 3hjj n THR 41 N -4.37 0.00 -2.44 1.13 -2.24 -0.34 -4.94 114.28 101.08 3hjj n THR 41 Ca 0.09 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3hjj n THR 41 Cb 0.06 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3hjj n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjj n GLY 42 N 1.25 0.12 3.77 3.38 0.00 -0.61 -5.01 105.19 108.08 3hjj n GLY 42 Ca 0.16 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3hjj n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hjj s ASP 43 N -2.78 7.15 0.51 1.61 2.15 -0.27 -4.96 116.67 120.07 3hjj s ASP 43 Ca 0.08 1.36 0.21 0.00 0.43 0.00 0.00 52.55 54.64 3hjj s ASP 43 Cb -0.04 -2.42 1.31 0.00 -0.30 0.00 0.00 42.92 41.47 3hjj s ASP 43 CO 0.10 0.12 2.04 -0.08 -0.17 0.00 0.00 175.17 177.18 3hjj h GLU 44 N 5.21 0.06 0.00 4.34 4.57 -1.95 -1.75 114.58 125.06 3hjj h GLU 44 Ca -0.46 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3hjj h GLU 44 Cb 1.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3hjj h GLU 44 CO 0.68 0.04 0.00 0.54 -1.18 0.00 0.00 179.01 179.09 3hjj n ARG 45 N -4.44 0.35 -0.22 1.92 3.00 -1.26 -2.71 116.66 113.30 3hjj n ARG 45 Ca 0.06 0.06 0.12 0.00 -0.01 0.00 0.00 57.85 58.09 3hjj n ARG 45 Cb 0.43 -1.50 0.42 0.00 0.00 0.00 0.00 32.46 31.81 3hjj n ARG 45 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 3hjj h ARG 46 N 0.00 0.59 -0.29 5.56 0.11 -1.61 -1.62 114.38 117.12 3hjj h ARG 46 Ca 0.00 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 59.92 3hjj h ARG 46 Cb 0.05 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.00 3hjj h ARG 46 CO 0.00 0.39 -0.31 0.74 0.10 0.00 0.00 179.97 180.89 3hjj h PHE 47 N 0.61 0.87 -0.41 4.08 -1.00 -1.78 -0.47 116.94 118.85 3hjj h PHE 47 Ca 0.40 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.99 3hjj h PHE 47 Cb 0.70 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 40.02 3hjj h PHE 47 CO -0.00 1.03 0.03 1.15 -1.61 0.00 0.00 178.31 178.90 3hjj h THR 48 N 0.47 0.72 -0.39 -1.55 2.02 -1.59 0.30 112.91 112.89 3hjj h THR 48 Ca 0.04 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 3hjj h THR 48 Cb 0.89 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hjj h THR 48 CO 0.08 0.03 -0.06 -0.07 0.37 0.00 0.00 175.52 175.86 3hjj h LEU 49 N 0.14 0.73 -1.13 2.58 3.38 -1.19 -2.84 115.31 116.97 3hjj h LEU 49 Ca 0.20 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3hjj h LEU 49 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hjj h LEU 49 CO -0.31 0.90 0.22 0.25 0.09 0.00 0.00 178.44 179.59 3hjj h LEU 50 N 0.54 0.76 -0.53 1.67 5.85 -0.71 -1.61 115.31 121.28 3hjj h LEU 50 Ca 0.10 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hjj h LEU 50 Cb 0.56 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3hjj h LEU 50 CO 0.03 0.69 0.00 0.59 -0.34 0.00 0.00 178.44 179.41 3hjj n ASN 51 N -4.32 0.67 0.12 1.25 3.02 0.06 -1.34 115.26 114.71 3hjj n ASN 51 Ca 0.05 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 3hjj n ASN 51 Cb 0.17 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 3hjj n ASN 51 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3hjj h GLN 52 N 0.00 0.00 0.00 3.52 1.08 -1.08 -3.41 115.11 115.22 3hjj h GLN 52 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 3hjj h GLN 52 Cb 0.43 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3hjj h GLN 52 CO 0.00 0.01 -0.93 1.25 -0.95 0.00 0.00 178.83 178.21 3hjj h LEU 53 N 0.00 0.00-10.10 1.46 5.85 -0.60 -3.47 115.31 108.45 3hjj h LEU 53 Ca -0.01 -0.41 -0.50 0.00 0.84 0.00 0.00 57.88 57.80 3hjj h LEU 53 Cb 1.02 0.00 0.08 0.00 0.37 0.00 0.00 40.66 42.13 3hjj h LEU 53 CO 0.00 1.24 0.43 -0.76 -0.34 0.00 0.00 178.44 179.01 3hjj s LEU 54 N -8.01 3.72 0.19 2.25 1.43 -0.45 -2.78 118.68 115.02 3hjj s LEU 54 Ca -0.24 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 3hjj s LEU 54 Cb 0.04 -4.58 0.11 0.00 0.03 0.00 0.00 46.19 41.79 3hjj s LEU 54 CO 0.49 -1.26 1.86 1.23 0.23 0.00 0.00 176.35 178.89 3hjj h GLY 55 N 1.09 0.90 -3.74 -3.19 0.00 0.08 -3.44 103.07 94.77 3hjj h GLY 55 Ca -0.50 -0.34 0.13 0.00 0.00 0.00 0.00 47.33 46.63 3hjj h GLY 55 CO 0.57 0.33 0.57 -1.35 0.00 0.00 0.00 176.54 176.66 3hjj s SER 56 N -5.78 -0.32 0.02 0.19 1.04 -0.98 -4.99 113.70 102.87 3hjj s SER 56 Ca -0.13 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.41 3hjj s SER 56 Cb 0.14 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 3hjj s SER 56 CO 0.76 -0.47 -0.03 -0.94 0.98 0.00 0.00 173.24 173.54 3hjj s SER 57 N -2.04 0.31 0.34 7.02 1.04 -1.26 -1.14 113.70 117.97 3hjj s SER 57 Ca 0.04 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.21 3hjj s SER 57 Cb -0.01 0.05 0.63 0.00 0.10 0.00 0.00 66.02 66.79 3hjj s SER 57 CO -0.05 -0.17 1.82 0.00 0.98 0.00 0.00 173.24 175.81 3hjj h ALA 58 N 5.15 1.32 0.00 5.32 0.00 -1.34 -3.27 119.26 126.45 3hjj h ALA 58 Ca -0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hjj h ALA 58 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hjj h ALA 58 CO 0.44 0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 3hjj n ASP 59 N -4.16 1.14 -0.91 0.00 5.68 -1.26 -4.93 116.55 112.12 3hjj n ASP 59 Ca -0.01 -1.17 -0.12 0.00 -0.50 0.00 0.00 54.79 52.99 3hjj n ASP 59 Cb 0.36 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.29 3hjj n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hjj n GLY 60 N -0.09 1.23 1.68 6.12 0.00 -1.24 -4.84 105.19 108.05 3hjj n GLY 60 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3hjj n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hjj n LYS 61 N -1.86 0.99 -1.72 1.61 4.76 -1.26 -4.89 118.16 115.79 3hjj n LYS 61 Ca -0.12 -2.77 -0.42 0.00 -2.87 0.00 0.00 58.31 52.13 3hjj n LYS 61 Cb 0.49 -0.86 -0.01 0.00 -1.84 0.00 0.00 35.03 32.81 3hjj n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hjj n ALA 62 N -0.15 1.64 -3.58 7.82 0.00 -1.26 -4.76 120.51 120.21 3hjj n ALA 62 Ca 0.12 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 3hjj n ALA 62 Cb 0.97 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.01 3hjj n ALA 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3hjj s GLN 63 N -1.66 2.38 -0.18 0.00 0.74 0.12 -4.98 119.66 116.09 3hjj s GLN 63 Ca 0.57 -1.75 0.01 0.00 0.05 0.00 0.00 55.36 54.23 3hjj s GLN 63 Cb -0.55 -3.83 0.03 0.00 1.10 0.00 0.00 33.01 29.76 3hjj s GLN 63 CO 0.60 -1.15 -0.15 0.42 -0.55 0.00 0.00 175.29 174.47 3hjj s ILE 64 N 1.32 1.76 0.63 -2.34 1.01 -1.26 -0.85 121.20 121.46 3hjj s ILE 64 Ca 0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 3hjj s ILE 64 Cb -0.25 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3hjj s ILE 64 CO -0.01 0.38 1.04 0.20 0.00 0.00 0.00 174.94 176.55 3hjj s ASN 65 N 1.39 5.89 0.71 3.58 0.01 -0.08 -4.94 114.94 121.49 3hjj s ASN 65 Ca 0.03 1.59 -0.11 0.00 -0.71 0.00 0.00 52.86 53.65 3hjj s ASN 65 Cb -0.14 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3hjj s ASN 65 CO -0.10 -1.09 1.07 -2.16 -1.51 0.00 0.00 177.10 173.30 3hjj s PRO 66 N -4.76 2.84 -0.33 -0.60 0.04 -1.26 -3.44 135.00 127.49 3hjj s PRO 66 Ca 0.58 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 3hjj s PRO 66 Cb -0.13 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 3hjj s PRO 66 CO 0.48 -1.11 0.59 -0.51 0.04 0.00 0.00 177.00 176.49 3hjj s ASP 67 N -4.02 6.42 0.34 6.66 1.01 -1.26 -1.67 116.67 124.15 3hjj s ASP 67 Ca 0.58 0.21 -0.26 0.00 0.71 0.00 0.00 52.55 53.78 3hjj s ASP 67 Cb -0.13 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3hjj s ASP 67 CO 0.54 -0.51 1.05 0.12 0.21 0.00 0.00 175.17 176.59 3hjj s PHE 68 N 2.57 3.45 -0.01 4.23 2.19 -1.22 -3.89 117.98 125.30 3hjj s PHE 68 Ca 0.23 1.69 0.04 0.00 0.33 0.00 0.00 56.93 59.22 3hjj s PHE 68 Cb -0.15 -3.16 -0.01 0.00 -1.31 0.00 0.00 43.02 38.39 3hjj s PHE 68 CO 0.13 -0.47 -0.13 1.03 1.83 0.00 0.00 175.22 177.61 3hjj s ARG 69 N -2.01 1.07 0.10 10.12 1.81 -0.67 -4.94 118.95 124.43 3hjj s ARG 69 Ca 0.51 -0.47 -0.08 0.00 -1.72 0.00 0.00 55.73 53.97 3hjj s ARG 69 Cb -0.26 -1.04 -0.01 0.00 -0.45 0.00 0.00 34.95 33.20 3hjj s ARG 69 CO 0.32 0.28 0.19 0.00 -0.68 0.00 0.00 175.30 175.42 3hjj h ASP 71 N 2.74 -0.10 0.00 0.00 3.32 -1.89 -3.44 116.42 117.06 3hjj h ASP 71 Ca -0.34 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.22 3hjj h ASP 71 Cb 1.20 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3hjj h ASP 71 CO 0.56 0.53 -0.86 -1.22 -1.72 0.00 0.00 179.24 176.53 3hjj n TYR 72 N -4.84 0.00 0.00 4.55 4.02 -1.26 -4.29 117.16 115.34 3hjj n TYR 72 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3hjj n TYR 72 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3hjj n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hjj n GLY 73 N 2.81 1.67 0.04 2.72 0.00 -1.26 -4.72 105.19 106.45 3hjj n GLY 73 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3hjj n GLY 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hjj n TYR 74 N 0.00 0.28 0.93 1.61 0.18 -1.12 -1.57 117.16 117.47 3hjj n TYR 74 Ca 0.00 0.10 0.09 0.00 1.88 0.00 0.00 57.90 59.97 3hjj n TYR 74 Cb 0.00 -0.66 0.28 0.00 -0.38 0.00 0.00 39.34 38.58 3hjj n TYR 74 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3hjj n ASN 75 N -1.75 2.05 -4.63 9.48 3.02 -1.26 -3.69 115.26 118.48 3hjj n ASN 75 Ca 0.04 -1.85 -0.35 0.00 -0.03 0.00 0.00 54.58 52.38 3hjj n ASN 75 Cb 0.23 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 3hjj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hjj s ILE 76 N -1.63 4.96 -0.09 2.41 1.01 -0.72 -0.19 121.20 126.95 3hjj s ILE 76 Ca 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 3hjj s ILE 76 Cb 0.17 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.39 3hjj s ILE 76 CO 0.24 0.41 -0.04 -1.00 0.00 0.00 0.00 174.94 174.55 3hjj s HIS 77 N 0.75 1.05 0.16 3.97 3.76 -0.26 -0.77 115.29 123.95 3hjj s HIS 77 Ca 0.05 -0.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.64 3hjj s HIS 77 Cb -0.13 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.52 3hjj s HIS 77 CO 0.02 -0.41 -0.25 0.14 -0.85 0.00 0.00 174.74 173.38 3hjj s VAL 78 N 1.82 2.31 0.00 -0.90 -7.23 -0.30 -0.60 120.40 115.51 3hjj s VAL 78 Ca 0.05 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3hjj s VAL 78 Cb -0.12 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3hjj s VAL 78 CO -0.06 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3hjj n GLY 79 N 0.57 -0.27 3.78 2.32 0.00 -0.26 -1.58 105.19 109.76 3hjj n GLY 79 Ca -0.15 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 3hjj n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjj s LYS 80 N 0.18 3.38 -1.53 1.61 1.02 -1.26 -3.54 119.74 119.60 3hjj s LYS 80 Ca 0.00 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.31 3hjj s LYS 80 Cb 0.00 -2.03 0.08 0.00 -0.52 0.00 0.00 37.83 35.37 3hjj s LYS 80 CO 0.00 -0.79 0.84 0.43 -0.92 0.00 0.00 175.35 174.90 3hjj n SER 81 N -1.52 -3.44 -4.76 2.83 7.64 -1.26 -0.45 113.62 112.66 3hjj n SER 81 Ca 0.10 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.71 3hjj n SER 81 Cb 0.52 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 60.13 3hjj n SER 81 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3hjj s PHE 82 N -3.43 3.38 -0.04 1.43 5.36 -1.26 -4.17 117.98 119.26 3hjj s PHE 82 Ca 0.51 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 58.05 3hjj s PHE 82 Cb -0.26 -3.44 0.02 0.00 -0.34 0.00 0.00 43.02 39.00 3hjj s PHE 82 CO 0.86 -1.10 -0.04 0.12 -1.46 0.00 0.00 175.22 173.60 3hjj s PHE 83 N -0.95 0.67 -0.06 10.12 5.36 -0.69 -0.70 117.98 131.74 3hjj s PHE 83 Ca 0.47 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.29 3hjj s PHE 83 Cb -0.35 -0.61 0.02 0.00 -0.34 0.00 0.00 43.02 41.74 3hjj s PHE 83 CO 0.44 -0.17 -0.09 0.00 -1.46 0.00 0.00 175.22 173.94 3hjj s ALA 84 N 0.87 1.02 0.80 11.12 0.00 -0.03 -0.09 121.76 135.45 3hjj s ALA 84 Ca -0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 3hjj s ALA 84 Cb -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3hjj s ALA 84 CO 0.00 0.05 0.01 -1.71 0.00 0.00 0.00 175.76 174.11 3hjj n ASN 85 N 3.94 0.00 -4.61 0.00 2.85 0.26 -0.90 115.26 116.79 3hjj n ASN 85 Ca -0.23 -1.00 -0.43 0.00 -0.11 0.00 0.00 54.58 52.80 3hjj n ASN 85 Cb 0.51 -0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.52 3hjj n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hjj n PHE 86 N -1.81 1.38 -3.49 1.20 3.01 -1.26 -3.81 117.46 112.69 3hjj n PHE 86 Ca 0.00 0.64 -0.21 0.00 1.01 0.00 0.00 57.45 58.90 3hjj n PHE 86 Cb 0.00 -2.27 0.08 0.00 -0.01 0.00 0.00 39.48 37.29 3hjj n PHE 86 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hjj n ASN 87 N 0.98 -4.77 -4.79 4.37 5.03 -0.67 -0.56 115.26 114.86 3hjj n ASN 87 Ca 0.09 -0.54 -0.36 0.00 0.87 0.00 0.00 54.58 54.63 3hjj n ASN 87 Cb 0.34 -4.88 -0.06 0.00 -1.02 0.00 0.00 39.78 34.17 3hjj n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hjj s VAL 89 N -1.75 0.99 -0.23 0.00 1.01 -0.56 -1.67 120.40 118.18 3hjj s VAL 89 Ca 0.54 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3hjj s VAL 89 Cb -0.17 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 35.32 3hjj s VAL 89 CO 0.22 0.34 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 3hjj s ILE 90 N 1.04 1.81 -0.78 2.22 1.01 -0.46 -0.90 121.20 125.14 3hjj s ILE 90 Ca -0.08 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 3hjj s ILE 90 Cb -0.15 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.45 3hjj s ILE 90 CO -0.01 0.01 1.05 -0.76 0.00 0.00 0.00 174.94 175.23 3hjj s LEU 91 N 1.28 4.58 -0.89 2.97 1.43 0.26 -2.97 118.68 125.34 3hjj s LEU 91 Ca -0.06 -1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 51.63 3hjj s LEU 91 Cb -0.19 -2.42 0.34 0.00 0.03 0.00 0.00 46.19 43.95 3hjj s LEU 91 CO -0.06 -1.31 1.80 -0.90 0.23 0.00 0.00 176.35 176.11 3hjj n ASP 92 N 7.35 7.08 -0.08 2.29 3.85 -1.26 -1.31 116.55 134.47 3hjj n ASP 92 Ca 0.09 -3.75 -0.02 0.00 -0.71 0.00 0.00 54.79 50.40 3hjj n ASP 92 Cb 0.47 -1.05 0.24 0.00 -1.35 0.00 0.00 41.12 39.43 3hjj n ASP 92 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3hjj h VAL 93 N 2.20 1.21 -1.10 2.12 -1.51 -1.92 -3.41 116.25 113.84 3hjj h VAL 93 Ca 0.51 -0.79 -0.55 0.00 -1.23 0.00 0.00 66.70 64.64 3hjj h VAL 93 Cb 0.25 0.77 -0.05 0.00 -2.13 0.00 0.00 31.29 30.13 3hjj h VAL 93 CO 1.24 0.29 -0.36 0.00 -1.23 0.00 0.00 177.57 177.50 3hjj n GLU 95 N -1.59 2.41 -3.96 0.00 2.13 -1.26 -4.83 120.64 113.53 3hjj n GLU 95 Ca 0.00 0.86 -0.34 0.00 0.66 0.00 0.00 57.16 58.35 3hjj n GLU 95 Cb 0.63 -2.62 -0.14 0.00 0.27 0.00 0.00 31.44 29.59 3hjj n GLU 95 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hjj s VAL 96 N 0.38 2.65 -0.22 6.31 1.01 0.74 -1.56 120.40 129.71 3hjj s VAL 96 Ca 0.70 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3hjj s VAL 96 Cb -0.58 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3hjj s VAL 96 CO 0.44 -0.20 -0.02 -0.60 0.00 0.00 0.00 175.10 174.72 3hjj s ARG 97 N 1.14 3.48 -0.05 2.72 6.06 -0.33 -1.11 118.95 130.88 3hjj s ARG 97 Ca -0.03 -0.58 0.05 0.00 -2.50 0.00 0.00 55.73 52.67 3hjj s ARG 97 Cb -0.20 -3.07 -0.01 0.00 0.06 0.00 0.00 34.95 31.73 3hjj s ARG 97 CO -0.04 -0.14 -0.20 0.42 -2.50 0.00 0.00 175.30 172.84 3hjj s ILE 98 N 1.37 1.64 0.00 4.11 1.01 0.23 0.17 121.20 129.73 3hjj s ILE 98 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3hjj s ILE 98 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3hjj s ILE 98 CO -0.01 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3hjj n GLY 99 N 3.03 -0.15 3.86 6.18 0.00 -0.40 -1.10 105.19 116.61 3hjj n GLY 99 Ca -0.18 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 3hjj n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hjj s ASP 100 N -1.00 6.65 -1.57 1.61 1.01 -1.26 -2.08 116.67 120.03 3hjj s ASP 100 Ca 0.00 1.22 -0.14 0.00 0.71 0.00 0.00 52.55 54.34 3hjj s ASP 100 Cb 0.00 -2.36 0.10 0.00 1.01 0.00 0.00 42.92 41.67 3hjj s ASP 100 CO 0.00 -0.31 0.94 1.41 0.21 0.00 0.00 175.17 177.41 3hjj n HIS 101 N -0.85 -2.18 -2.24 4.23 8.25 0.40 -0.65 115.22 122.18 3hjj n HIS 101 Ca 0.03 0.88 -0.00 0.00 -0.26 0.00 0.00 57.72 58.37 3hjj n HIS 101 Cb 0.54 -3.77 0.00 0.00 1.12 0.00 0.00 29.99 27.87 3hjj n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hjj s PHE 104 N 0.19 -1.11 0.95 0.00 0.40 0.88 -1.70 117.98 117.57 3hjj s PHE 104 Ca 0.01 2.17 -0.16 0.00 -0.60 0.00 0.00 56.93 58.35 3hjj s PHE 104 Cb -0.00 0.67 0.23 0.00 0.51 0.00 0.00 43.02 44.42 3hjj s PHE 104 CO 0.01 -0.55 0.99 0.00 0.70 0.00 0.00 175.22 176.36 3hjj n ALA 105 N 4.50 -2.26 -1.76 5.36 0.00 0.05 -0.58 120.51 125.82 3hjj n ALA 105 Ca -0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 53.44 51.49 3hjj n ALA 105 Cb 0.57 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.95 3hjj n ALA 105 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hjj s PRO 106 N -5.20 3.49 -0.55 0.00 0.02 -1.26 -3.49 135.00 128.01 3hjj s PRO 106 Ca 0.61 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3hjj s PRO 106 Cb -0.04 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3hjj s PRO 106 CO 0.45 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 3hjj n GLY 107 N 0.55 0.76 3.72 0.52 0.00 0.28 -0.72 105.19 110.29 3hjj n GLY 107 Ca 0.09 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3hjj n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hjj s VAL 108 N -2.08 3.43 -0.13 1.61 1.01 -1.23 -3.68 120.40 119.34 3hjj s VAL 108 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3hjj s VAL 108 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hjj s VAL 108 CO 0.00 0.09 -0.14 -1.00 0.00 0.00 0.00 175.10 174.05 3hjj s HIS 109 N 0.99 2.78 -0.19 5.22 3.76 -0.68 -1.50 115.29 125.66 3hjj s HIS 109 Ca 0.63 -0.70 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 3hjj s HIS 109 Cb -0.35 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.52 3hjj s HIS 109 CO 0.31 -0.24 -0.15 0.42 -0.85 0.00 0.00 174.74 174.22 3hjj s ILE 110 N 0.36 2.41 -0.17 0.60 1.01 -0.08 -0.98 121.20 124.34 3hjj s ILE 110 Ca -0.12 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 3hjj s ILE 110 Cb -0.16 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3hjj s ILE 110 CO 0.06 0.48 -0.05 -0.31 0.00 0.00 0.00 174.94 175.12 3hjj s TYR 111 N 1.33 2.96 -0.11 3.97 2.02 -0.28 -0.57 117.35 126.67 3hjj s TYR 111 Ca 0.05 -0.53 0.15 0.00 -0.37 0.00 0.00 57.07 56.37 3hjj s TYR 111 Cb -0.14 -1.98 -0.22 0.00 -0.40 0.00 0.00 41.96 39.23 3hjj s TYR 111 CO -0.10 -0.21 0.36 0.25 -1.57 0.00 0.00 175.55 174.28 3hjj n THR 112 N 3.89 0.00 -2.58 -0.71 -2.24 -0.43 -1.67 114.28 110.55 3hjj n THR 112 Ca -0.18 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3hjj n THR 112 Cb 0.52 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 3hjj n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hjj s ALA 113 N -2.91 3.35 0.29 6.98 0.00 -1.25 -1.09 121.76 127.12 3hjj s ALA 113 Ca -0.04 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 3hjj s ALA 113 Cb 0.09 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3hjj s ALA 113 CO 0.60 -0.10 0.39 -2.37 0.00 0.00 0.00 175.76 174.28 3hjj n THR 114 N 2.09 0.00 -3.89 0.00 5.66 -0.13 -4.85 114.28 113.16 3hjj n THR 114 Ca 0.01 -1.50 -0.10 0.00 -3.05 0.00 0.00 64.05 59.42 3hjj n THR 114 Cb 0.47 0.91 -0.09 0.00 -1.55 0.00 0.00 70.33 70.07 3hjj n THR 114 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3hjj s HIS 115 N -3.27 0.15 0.60 1.09 3.76 -1.26 -2.96 115.29 113.39 3hjj s HIS 115 Ca 0.24 -0.44 -0.19 0.00 -0.15 0.00 0.00 55.06 54.52 3hjj s HIS 115 Cb -0.01 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.55 3hjj s HIS 115 CO 0.17 -0.41 1.19 -2.30 -0.85 0.00 0.00 174.74 172.54 3hjj n PRO 116 N 0.61 1.19 0.12 8.40 -0.02 -1.26 -4.93 135.00 139.11 3hjj n PRO 116 Ca -0.18 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.74 3hjj n PRO 116 Cb 0.59 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3hjj n PRO 116 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hjj h LEU 117 N 0.77 0.00 -9.66 2.45 5.85 -2.01 -3.41 115.31 109.30 3hjj h LEU 117 Ca -0.50 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.63 3hjj h LEU 117 Cb 1.34 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3hjj h LEU 117 CO 0.53 0.68 -0.11 -1.00 -0.34 0.00 0.00 178.44 178.21 3hjj s HIS 118 N -3.08 3.75 0.18 1.25 3.76 -1.26 -5.00 115.29 114.89 3hjj s HIS 118 Ca 0.01 1.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.92 3hjj s HIS 118 Cb 0.10 -2.42 0.08 0.00 1.11 0.00 0.00 32.58 31.44 3hjj s HIS 118 CO 0.76 0.57 1.84 -1.00 -0.85 0.00 0.00 174.74 176.07 3hjj h PRO 119 N 4.79 0.74 -0.09 8.40 0.13 -1.98 -1.56 132.00 142.43 3hjj h PRO 119 Ca -0.50 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3hjj h PRO 119 Cb 1.21 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3hjj h PRO 119 CO 0.64 0.49 0.04 0.28 -0.23 0.00 0.00 178.00 179.22 3hjj h VAL 120 N 0.76 1.10 -0.70 1.56 2.07 -1.97 0.83 116.25 119.91 3hjj h VAL 120 Ca 0.21 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 3hjj h VAL 120 Cb -0.09 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3hjj h VAL 120 CO -0.04 0.09 0.15 -0.08 0.02 0.00 0.00 177.57 177.71 3hjj h GLU 121 N 0.02 1.13 -0.14 1.57 4.81 -1.94 -2.70 114.58 117.34 3hjj h GLU 121 Ca 0.03 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 3hjj h GLU 121 Cb 0.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3hjj h GLU 121 CO -0.00 1.01 -0.15 -0.09 -0.73 0.00 0.00 179.01 179.04 3hjj h ARG 122 N 1.07 0.22 -0.17 1.92 2.43 -0.85 -2.59 114.38 116.41 3hjj h ARG 122 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hjj h ARG 122 Cb 0.39 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3hjj h ARG 122 CO 0.01 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.94 3hjj n ASN 123 N -4.26 1.62 0.00 -3.80 3.02 0.25 -4.34 115.26 107.74 3hjj n ASN 123 Ca -0.01 -1.71 0.15 0.00 -0.03 0.00 0.00 54.58 52.98 3hjj n ASN 123 Cb 0.28 -0.11 0.81 0.00 -0.61 0.00 0.00 39.78 40.15 3hjj n ASN 123 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hjj n SER 124 N 0.29 0.00 0.00 6.41 3.41 -0.98 -4.86 113.62 117.90 3hjj n SER 124 Ca 0.16 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3hjj n SER 124 Cb 0.32 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hjj n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hjj n GLY 125 N 1.16 0.86 3.55 5.00 0.00 -1.26 -5.05 105.19 109.45 3hjj n GLY 125 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hjj n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjj s LYS 126 N -0.49 2.47 0.06 1.61 1.02 -1.26 -2.47 119.74 120.67 3hjj s LYS 126 Ca 0.00 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.25 3hjj s LYS 126 Cb 0.00 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3hjj s LYS 126 CO 0.00 0.60 0.06 -0.85 -0.92 0.00 0.00 175.35 174.24 3hjj n GLU 127 N 1.74 0.08 -3.93 1.68 0.28 -0.65 -4.77 120.64 115.08 3hjj n GLU 127 Ca -0.16 -0.55 -0.11 0.00 -0.16 0.00 0.00 57.16 56.18 3hjj n GLU 127 Cb 0.52 0.47 -0.01 0.00 1.43 0.00 0.00 31.44 33.86 3hjj n GLU 127 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3hjj s TYR 128 N -2.88 0.52 0.16 -1.84 -0.85 -1.15 -0.78 117.35 110.53 3hjj s TYR 128 Ca 0.06 -1.00 -0.01 0.00 -0.52 0.00 0.00 57.07 55.60 3hjj s TYR 128 Cb 0.00 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3hjj s TYR 128 CO 0.05 -1.38 0.09 0.20 -1.52 0.00 0.00 175.55 172.99 3hjj s GLY 129 N -3.14 1.19 -0.04 5.49 0.00 -1.26 -0.96 107.32 108.61 3hjj s GLY 129 Ca 0.22 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.37 3hjj s GLY 129 CO 0.15 -1.38 -0.02 0.54 0.00 0.00 0.00 173.10 172.39 3hjj s LYS 130 N -4.10 0.58 0.84 2.90 1.02 -0.25 -4.43 119.74 116.30 3hjj s LYS 130 Ca 0.31 -0.03 -0.11 0.00 0.02 0.00 0.00 55.97 56.17 3hjj s LYS 130 Cb 0.07 -0.66 0.10 0.00 -0.52 0.00 0.00 37.83 36.83 3hjj s LYS 130 CO 0.06 -0.10 1.10 -1.25 -0.92 0.00 0.00 175.35 174.25 3hjj s PRO 131 N 0.92 1.66 -0.04 -1.68 0.04 -1.26 -2.37 135.00 132.26 3hjj s PRO 131 Ca -0.11 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.20 3hjj s PRO 131 Cb -0.14 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3hjj s PRO 131 CO -0.01 -2.08 -0.23 0.08 0.04 0.00 0.00 177.00 174.80 3hjj s VAL 132 N -2.82 1.89 -0.07 -0.36 1.01 -0.60 -1.99 120.40 117.44 3hjj s VAL 132 Ca 0.63 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hjj s VAL 132 Cb -0.19 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.61 3hjj s VAL 132 CO 0.57 0.53 -0.15 -0.75 0.00 0.00 0.00 175.10 175.30 3hjj s LYS 133 N -0.30 2.00 -0.09 2.72 2.20 -0.80 -1.18 119.74 124.29 3hjj s LYS 133 Ca 0.02 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 3hjj s LYS 133 Cb -0.11 -1.62 0.01 0.00 -1.51 0.00 0.00 37.83 34.60 3hjj s LYS 133 CO 0.01 0.09 -0.17 0.42 -0.36 0.00 0.00 175.35 175.35 3hjj s ILE 134 N 0.50 1.51 0.00 5.43 1.01 0.13 -0.26 121.20 129.52 3hjj s ILE 134 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3hjj s ILE 134 Cb -0.16 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.97 3hjj s ILE 134 CO 0.05 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3hjj n GLY 135 N 3.80 -1.56 3.84 6.18 0.00 0.77 -1.28 105.19 116.93 3hjj n GLY 135 Ca -0.21 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3hjj n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjj s ASN 136 N -1.27 6.81 -1.53 1.61 0.01 -1.26 -2.89 114.94 116.42 3hjj s ASN 136 Ca 0.00 1.46 -0.04 0.00 -0.71 0.00 0.00 52.86 53.57 3hjj s ASN 136 Cb 0.00 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3hjj s ASN 136 CO 0.00 -0.31 0.57 0.59 -1.51 0.00 0.00 177.10 176.44 3hjj n ASN 137 N -0.64 -6.02 -4.73 -1.22 3.02 0.17 -0.36 115.26 105.49 3hjj n ASN 137 Ca 0.05 -0.27 -0.38 0.00 -0.03 0.00 0.00 54.58 53.96 3hjj n ASN 137 Cb 0.54 -4.84 -0.06 0.00 -0.61 0.00 0.00 39.78 34.80 3hjj n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hjj s VAL 138 N -3.16 5.18 -0.28 2.41 1.01 -1.25 -3.65 120.40 120.65 3hjj s VAL 138 Ca 0.28 0.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 3hjj s VAL 138 Cb -0.12 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3hjj s VAL 138 CO 0.35 0.35 0.03 0.86 0.00 0.00 0.00 175.10 176.69 3hjj s TRP 139 N 0.49 3.14 -0.26 5.22 -0.00 -1.05 -4.37 118.94 122.11 3hjj s TRP 139 Ca 0.25 -1.28 -0.09 0.00 -0.00 0.00 0.00 56.10 54.98 3hjj s TRP 139 Cb -0.15 -2.18 -0.04 0.00 -0.00 0.00 0.00 33.47 31.10 3hjj s TRP 139 CO 0.10 -0.66 0.13 0.08 -0.00 0.00 0.00 176.95 176.60 3hjj s VAL 140 N 1.41 4.85 0.83 5.86 1.01 -1.26 -0.88 120.40 132.22 3hjj s VAL 140 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3hjj s VAL 140 Cb -0.17 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.01 3hjj s VAL 140 CO -0.00 0.30 1.11 -0.83 0.00 0.00 0.00 175.10 175.68 3hjj s GLY 141 N 1.62 1.61 0.19 4.51 0.00 0.54 -0.77 107.32 115.02 3hjj s GLY 141 Ca 0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 44.72 44.14 3hjj s GLY 141 CO 0.07 0.15 1.51 0.61 0.00 0.00 0.00 173.10 175.44 3hjj n GLY 142 N -2.20 0.99 2.53 0.20 0.00 -1.26 -2.23 105.19 103.22 3hjj n GLY 142 Ca 0.07 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3hjj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjj n GLY 143 N 2.90 0.38 3.76 -0.02 0.00 0.10 -0.34 105.19 111.98 3hjj n GLY 143 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3hjj n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjj s ALA 144 N -1.88 2.59 -0.15 4.61 0.00 -0.95 -4.38 121.76 121.60 3hjj s ALA 144 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3hjj s ALA 144 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3hjj s ALA 144 CO 0.00 -1.02 -0.11 0.42 0.00 0.00 0.00 175.76 175.04 3hjj s ILE 145 N -1.71 3.10 -0.31 0.00 1.01 -0.22 -1.68 121.20 121.38 3hjj s ILE 145 Ca 0.75 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 3hjj s ILE 145 Cb -0.27 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 39.90 3hjj s ILE 145 CO 0.31 0.51 0.07 -0.63 0.00 0.00 0.00 174.94 175.20 3hjj s ILE 146 N 0.58 3.71 0.77 2.92 1.01 -0.16 -0.22 121.20 129.82 3hjj s ILE 146 Ca -0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 3hjj s ILE 146 Cb -0.15 -3.01 0.06 0.00 0.01 0.00 0.00 42.46 39.36 3hjj s ILE 146 CO 0.03 -0.04 1.14 0.20 0.00 0.00 0.00 174.94 176.27 3hjj s ASN 147 N 1.42 4.83 0.46 3.58 0.01 -0.87 -1.12 114.94 123.25 3hjj s ASN 147 Ca -0.00 0.88 -0.24 0.00 -0.71 0.00 0.00 52.86 52.79 3hjj s ASN 147 Cb -0.18 -1.48 -0.07 0.00 0.41 0.00 0.00 41.25 39.92 3hjj s ASN 147 CO 0.02 -1.70 1.32 -2.84 -1.51 0.00 0.00 177.10 172.38 3hjj s PRO 148 N -5.49 3.64 0.00 -0.60 0.02 -0.67 -3.13 135.00 128.78 3hjj s PRO 148 Ca 0.61 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3hjj s PRO 148 Cb -0.11 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3hjj s PRO 148 CO 0.50 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3hjj n GLY 149 N 0.63 0.83 3.78 0.52 0.00 -0.84 -4.93 105.19 105.18 3hjj n GLY 149 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hjj n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hjj s VAL 150 N -3.22 4.54 -0.03 1.61 1.01 -1.18 -4.88 120.40 118.24 3hjj s VAL 150 Ca 0.00 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3hjj s VAL 150 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3hjj s VAL 150 CO 0.00 0.52 -0.10 -0.44 0.00 0.00 0.00 175.10 175.07 3hjj s SER 151 N -1.01 4.35 -0.13 3.32 0.01 -1.26 -1.91 113.70 117.08 3hjj s SER 151 Ca 0.34 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.47 3hjj s SER 151 Cb -0.22 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.04 3hjj s SER 151 CO 0.23 0.33 -0.20 -0.63 0.41 0.00 0.00 173.24 173.38 3hjj s ILE 152 N -0.84 1.89 0.86 1.44 1.01 0.65 -0.83 121.20 125.37 3hjj s ILE 152 Ca 0.13 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3hjj s ILE 152 Cb -0.11 -1.68 0.10 0.00 0.01 0.00 0.00 42.46 40.79 3hjj s ILE 152 CO 0.03 0.52 1.10 -0.83 0.00 0.00 0.00 174.94 175.75 3hjj s GLY 153 N 0.85 1.62 0.40 6.18 0.00 0.64 -0.17 107.32 116.84 3hjj s GLY 153 Ca -0.07 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.25 3hjj s GLY 153 CO -0.01 0.33 1.07 1.22 0.00 0.00 0.00 173.10 175.70 3hjj n ASP 154 N -3.69 1.55 0.00 1.64 10.43 -1.26 -2.78 116.55 122.44 3hjj n ASP 154 Ca 0.07 1.08 0.00 0.00 2.57 0.00 0.00 54.79 58.51 3hjj n ASP 154 Cb 0.56 -1.37 0.00 0.00 1.84 0.00 0.00 41.12 42.14 3hjj n ASP 154 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3hjj n ASN 155 N 0.59 -3.44 -4.77 -2.24 3.02 0.52 -1.00 115.26 107.93 3hjj n ASN 155 Ca 0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.26 3hjj n ASN 155 Cb 0.38 -2.15 -0.03 0.00 -0.61 0.00 0.00 39.78 37.37 3hjj n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjj s ALA 156 N -1.59 3.08 -0.05 5.41 0.00 -1.12 -4.22 121.76 123.27 3hjj s ALA 156 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3hjj s ALA 156 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3hjj s ALA 156 CO 0.00 -0.42 -0.23 0.14 0.00 0.00 0.00 175.76 175.26 3hjj s VAL 157 N -1.56 1.86 -0.22 0.00 -7.23 -0.17 -2.54 120.40 110.53 3hjj s VAL 157 Ca 0.59 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 3hjj s VAL 157 Cb -0.26 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3hjj s VAL 157 CO 0.33 0.52 0.06 -0.63 -0.31 0.00 0.00 175.10 175.06 3hjj s ILE 158 N -0.16 4.37 0.66 -0.62 -1.09 -0.06 -1.08 121.20 123.23 3hjj s ILE 158 Ca -0.02 -0.16 -0.16 0.00 -2.23 0.00 0.00 60.65 58.08 3hjj s ILE 158 Cb -0.13 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3hjj s ILE 158 CO 0.03 0.38 1.14 0.00 -1.23 0.00 0.00 174.94 175.26 3hjj s ALA 159 N 1.19 2.41 0.40 9.38 0.00 0.41 -0.34 121.76 135.22 3hjj s ALA 159 Ca 0.04 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 3hjj s ALA 159 Cb -0.14 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3hjj s ALA 159 CO 0.03 -1.36 1.25 -1.13 0.00 0.00 0.00 175.76 174.55 3hjj n SER 160 N -2.34 2.48 0.00 0.00 3.41 -1.26 -2.09 113.62 113.82 3hjj n SER 160 Ca 0.11 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 3hjj n SER 160 Cb 0.51 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3hjj n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hjj n GLY 161 N 0.84 0.77 3.77 5.00 0.00 0.54 -4.80 105.19 111.30 3hjj n GLY 161 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3hjj n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjj s ALA 162 N -3.22 2.95 -0.29 4.61 0.00 -0.89 -4.71 121.76 120.21 3hjj s ALA 162 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3hjj s ALA 162 Cb 0.00 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.82 3hjj s ALA 162 CO 0.00 -0.62 -0.06 0.08 0.00 0.00 0.00 175.76 175.16 3hjj s VAL 163 N -1.59 2.28 -0.39 0.00 1.01 -0.63 -1.05 120.40 120.02 3hjj s VAL 163 Ca 0.64 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3hjj s VAL 163 Cb -0.27 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3hjj s VAL 163 CO 0.33 -0.19 0.46 -0.69 0.00 0.00 0.00 175.10 175.01 3hjj s VAL 164 N 1.06 5.06 -0.07 2.92 1.01 0.69 -1.08 120.40 130.00 3hjj s VAL 164 Ca -0.04 -0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.00 3hjj s VAL 164 Cb -0.20 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 31.96 3hjj s VAL 164 CO -0.05 -0.34 0.34 0.35 0.00 0.00 0.00 175.10 175.40 3hjj n THR 165 N 5.45 0.00 -4.29 3.92 -2.24 -1.26 -2.05 114.28 113.80 3hjj n THR 165 Ca -0.07 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 3hjj n THR 165 Cb 0.48 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 3hjj n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hjj s LYS 166 N -2.97 1.20 0.29 -0.78 1.02 -1.26 -4.90 119.74 112.34 3hjj s LYS 166 Ca -0.05 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.08 3hjj s LYS 166 Cb 0.10 -0.56 -0.13 0.00 -0.52 0.00 0.00 37.83 36.71 3hjj s LYS 166 CO 0.61 -0.04 1.23 -0.25 -0.92 0.00 0.00 175.35 175.98 3hjj n ASP 167 N -0.31 2.26 -4.50 2.83 8.00 -1.26 -4.79 116.55 118.78 3hjj n ASP 167 Ca -0.07 1.18 -0.35 0.00 0.71 0.00 0.00 54.79 56.26 3hjj n ASP 167 Cb 0.63 -1.40 -0.12 0.00 -0.02 0.00 0.00 41.12 40.21 3hjj n ASP 167 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hjj s VAL 168 N -0.80 4.32 0.93 2.53 1.01 -0.01 -4.97 120.40 123.41 3hjj s VAL 168 Ca 0.60 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 3hjj s VAL 168 Cb -0.64 -2.97 0.15 0.00 0.00 0.00 0.00 36.38 32.92 3hjj s VAL 168 CO 0.58 0.41 1.10 -2.16 0.00 0.00 0.00 175.10 175.03 3hjj s PRO 169 N 1.02 0.99 0.73 2.72 0.04 -1.26 -0.26 135.00 138.97 3hjj s PRO 169 Ca 0.03 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.46 3hjj s PRO 169 Cb -0.14 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3hjj s PRO 169 CO 0.02 -2.36 1.20 0.09 0.04 0.00 0.00 177.00 175.99 3hjj n ASN 170 N -3.92 1.34 -3.28 6.66 3.02 -1.26 -4.01 115.26 113.81 3hjj n ASN 170 Ca 0.06 0.70 -0.24 0.00 -0.03 0.00 0.00 54.58 55.07 3hjj n ASN 170 Cb 0.57 -1.51 0.04 0.00 -0.61 0.00 0.00 39.78 38.27 3hjj n ASN 170 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hjj n ASN 171 N -2.45 -5.76 -4.26 6.41 3.02 -0.17 -4.89 115.26 107.14 3hjj n ASN 171 Ca 0.14 -0.40 -0.20 0.00 -0.03 0.00 0.00 54.58 54.09 3hjj n ASN 171 Cb 0.49 -4.63 -0.12 0.00 -0.61 0.00 0.00 39.78 34.92 3hjj n ASN 171 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hjj s VAL 172 N -3.19 1.50 -0.22 2.41 -7.23 -1.26 -0.89 120.40 111.52 3hjj s VAL 172 Ca 0.42 -1.66 -0.13 0.00 -1.81 0.00 0.00 61.98 58.80 3hjj s VAL 172 Cb -0.19 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 3hjj s VAL 172 CO 0.51 -0.28 0.25 -0.69 -0.31 0.00 0.00 175.10 174.58 3hjj s VAL 173 N -1.77 5.30 0.20 1.32 1.01 0.02 -1.00 120.40 125.48 3hjj s VAL 173 Ca 0.08 0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.56 3hjj s VAL 173 Cb -0.07 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3hjj s VAL 173 CO 0.04 0.32 -0.23 0.68 0.00 0.00 0.00 175.10 175.91 3hjj s VAL 174 N 1.06 2.39 0.21 2.92 -7.23 -0.24 0.82 120.40 120.32 3hjj s VAL 174 Ca 0.12 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 3hjj s VAL 174 Cb -0.14 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.70 3hjj s VAL 174 CO 0.05 -0.13 0.67 -0.83 -0.31 0.00 0.00 175.10 174.55 3hjj s GLY 175 N -2.72 -0.37 0.00 2.32 0.00 -0.44 -0.45 107.32 105.66 3hjj s GLY 175 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3hjj s GLY 175 CO 0.10 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.86 3hjj n GLY 176 N -0.41 0.21 2.81 0.20 0.00 -1.26 -0.77 105.19 105.97 3hjj n GLY 176 Ca -0.11 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 3hjj n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hjj s ASN 177 N -0.70 3.76 0.68 1.61 3.04 -1.26 -1.60 114.94 120.47 3hjj s ASN 177 Ca 0.00 -1.36 -0.11 0.00 0.04 0.00 0.00 52.86 51.43 3hjj s ASN 177 Cb 0.00 -0.94 -0.00 0.00 -1.54 0.00 0.00 41.25 38.77 3hjj s ASN 177 CO 0.00 -0.34 1.05 -2.16 -3.04 0.00 0.00 177.10 172.61 3hjj s PRO 178 N 1.57 3.08 0.18 0.43 0.05 -1.26 -5.02 135.00 134.02 3hjj s PRO 178 Ca 0.03 0.92 -0.31 0.00 0.05 0.00 0.00 61.00 61.69 3hjj s PRO 178 Cb -0.18 -2.01 -0.10 0.00 0.05 0.00 0.00 34.50 32.27 3hjj s PRO 178 CO -0.15 -0.98 1.49 0.00 0.05 0.00 0.00 177.00 177.41 3hjj s ALA 179 N -3.06 3.70 0.15 8.56 0.00 -0.24 -4.88 121.76 125.99 3hjj s ALA 179 Ca 0.58 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.90 3hjj s ALA 179 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3hjj s ALA 179 CO 0.54 -0.73 -0.14 0.15 0.00 0.00 0.00 175.76 175.59 3hjj s LYS 180 N 0.74 1.11 0.17 0.00 1.02 0.05 -4.85 119.74 117.98 3hjj s LYS 180 Ca 0.66 -1.37 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 3hjj s LYS 180 Cb -0.42 -0.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.87 3hjj s LYS 180 CO 0.34 0.16 1.51 0.08 -0.92 0.00 0.00 175.35 176.52 3hjj s VAL 181 N -2.54 2.78 -0.23 3.17 1.01 -1.26 -1.33 120.40 122.00 3hjj s VAL 181 Ca 0.14 0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 3hjj s VAL 181 Cb -0.03 -3.37 -0.18 0.00 0.00 0.00 0.00 36.38 32.81 3hjj s VAL 181 CO 0.04 0.05 -0.07 -0.38 0.00 0.00 0.00 175.10 174.74 3hjj n ILE 182 N 3.73 1.57 -3.81 2.22 2.08 0.24 -4.91 119.36 120.48 3hjj n ILE 182 Ca 0.12 -0.45 -0.02 0.00 0.56 0.00 0.00 62.75 62.96 3hjj n ILE 182 Cb 0.40 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 3hjj n ILE 182 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3hjj s LYS 183 N -2.50 1.03 0.29 0.38 -2.85 -1.19 -5.01 119.74 109.89 3hjj s LYS 183 Ca -0.32 -0.63 0.07 0.00 -1.00 0.00 0.00 55.97 54.09 3hjj s LYS 183 Cb 0.10 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3hjj s LYS 183 CO 0.61 -0.48 0.31 0.95 0.10 0.00 0.00 175.35 176.84 3hjj s THR 184 N -2.53 4.26 -0.05 3.79 -4.23 -1.26 -0.80 115.64 114.81 3hjj s THR 184 Ca 0.18 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3hjj s THR 184 Cb -0.01 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3hjj s THR 184 CO 0.02 -0.25 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.16 3hjj s ILE 185 N -2.16 0.67 0.06 2.99 -1.09 -0.07 -4.85 121.20 116.74 3hjj s ILE 185 Ca 0.38 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.67 3hjj s ILE 185 Cb -0.08 -0.68 -0.03 0.00 -1.58 0.00 0.00 42.46 40.10 3hjj s ILE 185 CO 0.27 0.26 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.48 3hjj s GLU 186 N 0.98 0.92 0.00 2.79 0.41 -1.26 -4.72 118.70 117.81 3hjj s GLU 186 Ca -0.10 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 3hjj s GLU 186 Cb -0.14 -0.96 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 3hjj s GLU 186 CO 0.00 0.23 0.00 -1.91 -0.49 0.00 0.00 175.26 173.09