#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjj s THR 3 N 0.00 3.46 0.29 -0.18 -4.23 -1.26 -4.87 115.64 108.85 3hjj s THR 3 Ca 0.00 0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 61.01 3hjj s THR 3 Cb 0.00 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3hjj s THR 3 CO 0.00 -0.59 1.91 -0.33 -0.54 0.00 0.00 174.62 175.07 3hjj h GLU 4 N -0.87 1.05 -0.83 3.99 4.39 -2.00 -1.45 114.58 118.86 3hjj h GLU 4 Ca -0.44 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 3hjj h GLU 4 Cb 1.23 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 3hjj h GLU 4 CO 0.53 0.70 0.41 -0.22 -1.16 0.00 0.00 179.01 179.26 3hjj h LYS 5 N 1.08 1.19 -0.42 2.33 3.64 -1.92 -2.52 116.57 119.95 3hjj h LYS 5 Ca 0.39 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3hjj h LYS 5 Cb 0.14 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3hjj h LYS 5 CO -0.14 0.90 0.20 -0.44 -2.27 0.00 0.00 179.45 177.70 3hjj h ASP 6 N 1.18 0.28 0.00 4.20 3.32 -1.67 -1.79 116.42 121.93 3hjj h ASP 6 Ca 0.29 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hjj h ASP 6 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hjj h ASP 6 CO -0.04 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 177.97 3hjj n LYS 7 N -4.93 0.17 0.00 3.56 5.02 -0.64 -2.37 118.16 118.97 3hjj n LYS 7 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3hjj n LYS 7 Cb 0.12 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.77 0.00 -0.42 -0.35 4.77 -0.67 -1.67 117.00 119.42 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 0.07 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.69 3hjj n LEU 9 CO 0.00 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 176.92 3hjj n ALA 10 N 0.00 2.65 -0.66 -1.18 0.00 -1.00 -4.79 120.51 115.53 3hjj n ALA 10 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3hjj n ALA 10 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.19 0.63 0.00 0.00 0.00 -0.95 -5.07 105.19 100.98 3hjj n GLY 11 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.66 0.00 0.00 1.61 1.02 -0.67 -4.46 120.64 115.48 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.73 -0.32 4.11 -0.08 -4.53 117.16 113.60 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 -0.03 0.00 -0.00 0.00 0.00 39.34 39.31 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 4.42 0.40 -3.48 1.01 -1.26 -1.71 121.20 118.58 3hjj s ILE 15 Ca 0.00 1.11 0.11 0.00 0.00 0.00 0.00 60.65 61.87 3hjj s ILE 15 Cb 0.00 -4.46 0.14 0.00 0.01 0.00 0.00 42.46 38.16 3hjj s ILE 15 CO 0.00 -0.77 1.91 0.00 0.00 0.00 0.00 174.94 176.07 3hjj h ALA 16 N 8.87 1.52 -0.33 9.38 0.00 -1.86 -1.81 119.26 135.02 3hjj h ALA 16 Ca -0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hjj h ALA 16 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hjj h ALA 16 CO 1.05 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 180.40 3hjj n ASP 17 N -4.24 3.52 -4.65 0.00 8.00 -1.26 -4.30 116.55 113.62 3hjj n ASP 17 Ca -0.02 -2.47 -0.44 0.00 0.71 0.00 0.00 54.79 52.57 3hjj n ASP 17 Cb 0.30 -0.58 -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 0.38 2.34 -0.27 -2.24 -0.08 -0.68 -4.74 116.55 111.26 3hjj n ASP 18 Ca 0.15 1.17 0.07 0.00 -1.51 0.00 0.00 54.79 54.67 3hjj n ASP 18 Cb 0.74 -1.40 0.19 0.00 2.34 0.00 0.00 41.12 43.00 3hjj n ASP 18 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3hjj h GLU 19 N 3.22 0.14 -0.37 -0.67 4.11 -1.91 0.09 114.58 119.19 3hjj h GLU 19 Ca -0.44 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 58.92 3hjj h GLU 19 Cb 1.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3hjj h GLU 19 CO 0.68 0.09 -0.02 1.49 0.07 0.00 0.00 179.01 181.33 3hjj h GLU 20 N 0.15 0.67 -0.43 1.06 4.81 -1.97 -2.25 114.58 116.62 3hjj h GLU 20 Ca 0.45 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3hjj h GLU 20 Cb 0.82 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3hjj h GLU 20 CO -0.65 0.79 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.17 3hjj h LEU 21 N 0.48 0.90 -0.49 1.64 3.38 -1.61 -1.45 115.31 118.16 3hjj h LEU 21 Ca 0.10 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3hjj h LEU 21 Cb 0.50 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3hjj h LEU 21 CO 0.02 1.10 0.26 0.58 0.09 0.00 0.00 178.44 180.49 3hjj h VAL 22 N 0.71 0.99 -0.65 1.22 2.07 -1.00 -1.18 116.25 118.39 3hjj h VAL 22 Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hjj h VAL 22 Cb 0.74 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3hjj h VAL 22 CO 0.06 0.09 0.35 0.00 0.02 0.00 0.00 177.57 178.09 3hjj h ALA 23 N 1.25 0.84 -0.73 1.67 0.00 -1.26 -0.76 119.26 120.27 3hjj h ALA 23 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hjj h ALA 23 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hjj h ALA 23 CO -0.13 0.36 0.44 -0.44 0.00 0.00 0.00 179.25 179.48 3hjj h ASP 24 N 0.89 0.88 -0.32 0.00 3.45 -0.87 -0.67 116.42 119.78 3hjj h ASP 24 Ca 0.23 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.46 3hjj h ASP 24 Cb 0.05 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 3hjj h ASP 24 CO -0.04 0.68 -0.46 0.03 -1.57 0.00 0.00 179.24 177.89 3hjj h ARG 25 N 1.00 0.88 -0.66 3.56 3.08 -0.88 0.06 114.38 121.41 3hjj h ARG 25 Ca 0.26 -0.51 0.02 0.00 0.07 0.00 0.00 59.98 59.82 3hjj h ARG 25 Cb -0.04 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3hjj h ARG 25 CO -0.05 1.16 0.42 0.28 -1.07 0.00 0.00 179.97 180.71 3hjj h VAL 26 N 0.67 1.12 -0.56 2.04 2.07 -1.05 -1.22 116.25 119.32 3hjj h VAL 26 Ca 0.03 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 3hjj h VAL 26 Cb 1.06 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3hjj h VAL 26 CO 0.11 0.15 -0.08 -0.08 0.02 0.00 0.00 177.57 177.69 3hjj h GLU 27 N 0.84 1.05 -0.64 1.57 4.81 -0.80 -2.30 114.58 119.11 3hjj h GLU 27 Ca 0.26 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3hjj h GLU 27 Cb -0.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3hjj h GLU 27 CO -0.09 1.07 0.24 0.00 -0.73 0.00 0.00 179.01 179.51 3hjj h ALA 28 N 0.94 0.84 -0.68 2.92 0.00 -0.70 -1.28 119.26 121.29 3hjj h ALA 28 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hjj h ALA 28 Cb 0.65 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hjj h ALA 28 CO 0.04 0.47 0.28 0.87 0.00 0.00 0.00 179.25 180.92 3hjj h LYS 29 N 0.91 1.01 -0.40 0.00 1.57 -1.11 0.14 116.57 118.69 3hjj h LYS 29 Ca 0.21 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3hjj h LYS 29 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hjj h LYS 29 CO -0.01 0.84 0.06 -0.09 -0.57 0.00 0.00 179.45 179.67 3hjj h ARG 30 N 0.97 0.67 -0.29 3.15 2.43 -1.10 -1.79 114.38 118.42 3hjj h ARG 30 Ca 0.23 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3hjj h ARG 30 Cb 0.19 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hjj h ARG 30 CO -0.02 0.72 -0.46 1.25 -1.51 0.00 0.00 179.97 179.95 3hjj h LEU 31 N 0.52 0.82 -1.06 3.80 5.85 -1.12 -3.03 115.31 121.09 3hjj h LEU 31 Ca 0.12 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3hjj h LEU 31 Cb 0.37 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3hjj h LEU 31 CO 0.01 1.15 0.64 0.74 -0.34 0.00 0.00 178.44 180.63 3hjj h THR 32 N 0.60 1.22 -0.53 1.05 2.02 -0.57 -0.57 112.91 116.13 3hjj h THR 32 Ca 0.04 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3hjj h THR 32 Cb 1.02 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hjj h THR 32 CO 0.10 0.23 0.26 -0.09 0.37 0.00 0.00 175.52 176.39 3hjj h ARG 33 N 1.28 0.76 -0.53 6.66 2.43 -1.22 0.65 114.38 124.41 3hjj h ARG 33 Ca 0.36 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3hjj h ARG 33 Cb -0.10 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3hjj h ARG 33 CO -0.09 0.63 0.18 -0.07 -1.51 0.00 0.00 179.97 179.10 3hjj h LEU 34 N 0.71 0.77 0.11 3.80 3.38 -1.35 -1.74 115.31 120.98 3hjj h LEU 34 Ca 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hjj h LEU 34 Cb 0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hjj h LEU 34 CO -0.02 0.76 -0.08 0.22 0.09 0.00 0.00 178.44 179.41 3hjj h TYR 35 N 0.73 -0.20 -0.81 1.13 5.03 -0.77 -0.08 116.97 122.01 3hjj h TYR 35 Ca 0.17 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.55 3hjj h TYR 35 Cb 0.26 0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.55 3hjj h TYR 35 CO 0.01 -0.12 0.48 -0.91 -1.32 0.00 0.00 178.16 176.30 3hjj h ASN 36 N -0.19 0.72 -0.49 -2.11 2.35 -0.81 0.71 115.58 115.76 3hjj h ASN 36 Ca -0.01 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3hjj h ASN 36 Cb 0.17 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3hjj h ASN 36 CO 0.00 0.45 0.32 -0.08 -1.65 0.00 0.00 177.43 176.47 3hjj h GLU 37 N 0.85 0.63 -0.31 0.81 4.22 -1.08 0.64 114.58 120.33 3hjj h GLU 37 Ca 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 3hjj h GLU 37 Cb 0.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hjj h GLU 37 CO -0.20 0.41 0.16 0.00 -2.18 0.00 0.00 179.01 177.21 3hjj h ALA 38 N 1.19 0.39 -0.26 2.92 0.00 0.20 -1.33 119.26 122.37 3hjj h ALA 38 Ca 0.19 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3hjj h ALA 38 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hjj h ALA 38 CO -0.05 -0.07 -0.47 -0.24 0.00 0.00 0.00 179.25 178.42 3hjj h VAL 39 N 0.37 1.30 -0.80 0.00 3.04 -0.74 -0.71 116.25 118.71 3hjj h VAL 39 Ca 0.11 -1.66 -0.00 0.00 -1.01 0.00 0.00 66.70 64.13 3hjj h VAL 39 Cb 0.07 1.59 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 3hjj h VAL 39 CO -0.02 0.53 0.49 -0.33 -1.01 0.00 0.00 177.57 177.23 3hjj h GLU 40 N 0.55 1.08 -0.01 4.17 5.08 -0.73 -2.56 114.58 122.16 3hjj h GLU 40 Ca 0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hjj h GLU 40 Cb 1.02 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3hjj h GLU 40 CO 0.10 0.76 -0.23 0.25 -1.00 0.00 0.00 179.01 178.88 3hjj n THR 41 N -4.38 0.00 -2.86 1.13 -2.24 -0.51 -4.96 114.28 100.46 3hjj n THR 41 Ca 0.09 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3hjj n THR 41 Cb 0.06 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.32 0.25 3.79 3.38 0.00 -0.41 -5.03 105.19 108.50 3hjj n GLY 42 Ca 0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.06 7.01 0.60 1.61 2.15 -0.42 -4.96 116.67 119.60 3hjj s ASP 43 Ca 0.22 1.20 0.33 0.00 0.43 0.00 0.00 52.55 54.73 3hjj s ASP 43 Cb -0.10 -2.36 1.92 0.00 -0.30 0.00 0.00 42.92 42.09 3hjj s ASP 43 CO 0.27 0.19 2.26 -0.08 -0.17 0.00 0.00 175.17 177.64 3hjj h GLU 44 N 5.13 0.00 0.00 4.34 4.57 -1.96 -1.26 114.58 125.40 3hjj h GLU 44 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3hjj h GLU 44 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3hjj h GLU 44 CO 0.67 0.01 0.00 0.54 -1.18 0.00 0.00 179.01 179.05 3hjj n ARG 45 N -3.64 0.31 -0.23 1.92 3.00 -1.26 -3.05 116.66 113.70 3hjj n ARG 45 Ca -0.03 0.10 0.10 0.00 -0.01 0.00 0.00 57.85 58.01 3hjj n ARG 45 Cb 0.10 -1.50 0.38 0.00 0.00 0.00 0.00 32.46 31.44 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 0.66 -0.23 5.56 0.11 -1.52 -1.47 114.38 117.49 3hjj h ARG 46 Ca 0.00 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 3hjj h ARG 46 Cb 0.09 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 3hjj h ARG 46 CO 0.00 0.44 -0.24 0.74 0.10 0.00 0.00 179.97 181.01 3hjj h PHE 47 N 0.68 0.69 -0.39 4.08 0.04 -1.80 0.02 116.94 120.26 3hjj h PHE 47 Ca 0.39 -0.21 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 3hjj h PHE 47 Cb 0.58 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3hjj h PHE 47 CO -0.00 0.91 -0.06 0.00 -0.60 0.00 0.00 178.31 178.56 3hjj h THR 48 N 0.27 1.23 -0.32 -1.55 1.03 -1.68 0.86 112.91 112.76 3hjj h THR 48 Ca 0.04 -1.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.39 3hjj h THR 48 Cb 0.80 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.86 3hjj h THR 48 CO 0.06 0.34 0.02 -0.07 -0.01 0.00 0.00 175.52 175.86 3hjj h LEU 49 N 0.60 0.54 -0.90 0.00 3.38 -1.10 -2.87 115.31 114.96 3hjj h LEU 49 Ca 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hjj h LEU 49 Cb 0.46 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3hjj h LEU 49 CO 0.02 0.69 0.54 0.25 0.09 0.00 0.00 178.44 180.04 3hjj h LEU 50 N 0.36 1.08 -1.63 1.67 5.85 -0.51 -1.47 115.31 120.66 3hjj h LEU 50 Ca 0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hjj h LEU 50 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3hjj h LEU 50 CO 0.01 0.83 0.00 0.78 -0.34 0.00 0.00 178.44 179.73 3hjj h ASN 51 N 1.24 0.00 1.23 1.25 2.35 -0.77 0.64 115.58 121.52 3hjj h ASN 51 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3hjj h ASN 51 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3hjj h ASN 51 CO -0.06 0.00 -0.51 1.56 -1.65 0.00 0.00 177.43 176.77 3hjj h GLN 52 N 0.00 0.00 0.00 0.81 1.08 -1.06 -3.39 115.11 112.55 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 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3hjj h GLN 52 CO 0.00 0.00 -1.05 -0.11 -0.95 0.00 0.00 178.83 176.72 3hjj n LEU 53 N -2.50 1.85 -4.77 1.46 7.94 0.06 -4.97 117.00 116.07 3hjj n LEU 53 Ca 0.03 0.49 -0.31 0.00 -1.11 0.00 0.00 56.01 55.11 3hjj n LEU 53 Cb 0.49 -0.92 0.09 0.00 0.53 0.00 0.00 43.42 43.61 3hjj n LEU 53 CO 0.36 -0.00 0.70 -0.76 -1.11 0.00 0.00 177.39 176.58 3hjj s LEU 54 N -7.98 3.05 0.07 -1.96 1.43 -0.26 -3.06 118.68 109.97 3hjj s LEU 54 Ca -0.24 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 54.50 3hjj s LEU 54 Cb 0.05 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 3hjj s LEU 54 CO 0.44 -2.02 1.47 1.23 0.23 0.00 0.00 176.35 177.70 3hjj h GLY 55 N -1.07 0.45 -3.92 -3.19 0.00 0.28 -3.43 103.07 92.19 3hjj h GLY 55 Ca -0.44 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 46.64 3hjj h GLY 55 CO 0.51 0.34 0.56 -1.35 0.00 0.00 0.00 176.54 176.60 3hjj s SER 56 N -6.00 -0.34 -0.01 0.19 1.04 -1.03 -4.99 113.70 102.56 3hjj s SER 56 Ca -0.14 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 3hjj s SER 56 Cb 0.07 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3hjj s SER 56 CO 0.75 -0.44 0.06 -0.94 0.98 0.00 0.00 173.24 173.65 3hjj s SER 57 N -1.79 0.02 0.48 7.02 1.04 -1.26 -1.22 113.70 117.98 3hjj s SER 57 Ca 0.02 -0.08 0.22 0.00 0.48 0.00 0.00 55.95 56.59 3hjj s SER 57 Cb -0.01 0.15 1.20 0.00 0.10 0.00 0.00 66.02 67.46 3hjj s SER 57 CO -0.04 -0.16 2.00 0.00 0.98 0.00 0.00 173.24 176.03 3hjj h ALA 58 N 5.36 1.37 0.00 5.32 0.00 -1.28 -3.22 119.26 126.81 3hjj h ALA 58 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hjj h ALA 58 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hjj h ALA 58 CO 0.44 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 3hjj n ASP 59 N -3.85 0.92 -1.10 0.00 5.68 -1.26 -4.91 116.55 112.03 3hjj n ASP 59 Ca -0.02 -1.31 -0.14 0.00 -0.50 0.00 0.00 54.79 52.82 3hjj n ASP 59 Cb 0.28 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 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 -0.15 1.37 1.31 6.12 0.00 -1.22 -4.82 105.19 107.79 3hjj n GLY 60 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.39 1.18 -1.64 1.61 4.01 -1.26 -4.89 118.16 115.78 3hjj n LYS 61 Ca -0.14 -2.90 -0.46 0.00 -0.51 0.00 0.00 58.31 54.30 3hjj n LYS 61 Cb 0.62 -1.05 -0.03 0.00 -0.51 0.00 0.00 35.03 34.06 3hjj n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hjj n ALA 62 N -0.39 0.54 -3.39 7.82 0.00 -1.26 -4.76 120.51 119.06 3hjj n ALA 62 Ca 0.15 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.62 3hjj n ALA 62 Cb 0.91 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.53 2.51 -0.19 0.00 2.00 -0.15 -4.98 119.66 118.32 3hjj s GLN 63 Ca 0.68 -1.53 0.01 0.00 -2.00 0.00 0.00 55.36 52.52 3hjj s GLN 63 Cb -0.70 -3.75 0.04 0.00 0.80 0.00 0.00 33.01 29.40 3hjj s GLN 63 CO 0.51 -0.98 -0.13 0.42 -0.50 0.00 0.00 175.29 174.61 3hjj s ILE 64 N 1.38 1.75 0.73 -2.34 1.01 -1.26 -1.12 121.20 121.35 3hjj s ILE 64 Ca 0.04 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3hjj s ILE 64 Cb -0.23 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.51 3hjj s ILE 64 CO 0.01 0.26 1.07 0.20 0.00 0.00 0.00 174.94 176.48 3hjj s ASN 65 N 1.36 4.98 0.69 3.58 0.01 -0.00 -4.93 114.94 120.63 3hjj s ASN 65 Ca 0.00 1.67 -0.11 0.00 -0.71 0.00 0.00 52.86 53.71 3hjj s ASN 65 Cb -0.15 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3hjj s ASN 65 CO -0.09 -1.71 1.06 -2.16 -1.51 0.00 0.00 177.10 172.69 3hjj s PRO 66 N -5.00 3.03 -0.31 -0.60 0.04 -1.26 -3.52 135.00 127.37 3hjj s PRO 66 Ca 0.59 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 3hjj s PRO 66 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 3hjj s PRO 66 CO 0.55 -1.00 0.53 -0.51 0.04 0.00 0.00 177.00 176.61 3hjj s ASP 67 N -3.97 6.38 0.40 6.66 1.01 -1.26 -1.62 116.67 124.26 3hjj s ASP 67 Ca 0.57 0.24 -0.23 0.00 0.71 0.00 0.00 52.55 53.85 3hjj s ASP 67 Cb -0.13 -2.28 -0.10 0.00 1.01 0.00 0.00 42.92 41.42 3hjj s ASP 67 CO 0.54 -0.40 0.99 0.12 0.21 0.00 0.00 175.17 176.64 3hjj s PHE 68 N 2.39 3.35 -0.01 4.23 2.19 -1.23 -3.91 117.98 124.99 3hjj s PHE 68 Ca 0.20 1.66 0.01 0.00 0.33 0.00 0.00 56.93 59.13 3hjj s PHE 68 Cb -0.15 -2.99 0.00 0.00 -1.31 0.00 0.00 43.02 38.57 3hjj s PHE 68 CO 0.12 -0.30 -0.02 1.03 1.83 0.00 0.00 175.22 177.87 3hjj s ARG 69 N -2.66 0.28 0.16 10.12 1.81 -0.68 -4.94 118.95 123.03 3hjj s ARG 69 Ca 0.58 -0.07 -0.10 0.00 -1.72 0.00 0.00 55.73 54.42 3hjj s ARG 69 Cb -0.17 -0.31 -0.00 0.00 -0.45 0.00 0.00 34.95 34.02 3hjj s ARG 69 CO 0.22 0.02 0.31 0.00 -0.68 0.00 0.00 175.30 175.17 3hjj h ASP 71 N 2.52 0.00 0.00 0.00 3.45 -1.89 -3.44 116.42 117.05 3hjj h ASP 71 Ca -0.32 -0.76 0.00 0.00 0.43 0.00 0.00 57.03 56.39 3hjj h ASP 71 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3hjj h ASP 71 CO 0.48 0.92 -0.94 -1.22 -1.57 0.00 0.00 179.24 176.90 3hjj n TYR 72 N -4.64 0.00 0.00 4.55 4.02 -1.26 -4.36 117.16 115.47 3hjj n TYR 72 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3hjj n TYR 72 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 3.09 1.81 0.07 2.72 0.00 -1.26 -4.72 105.19 106.89 3hjj n GLY 73 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.41 1.45 1.61 0.18 -1.17 -1.65 117.16 117.99 3hjj n TYR 74 Ca 0.00 0.17 0.14 0.00 1.88 0.00 0.00 57.90 60.08 3hjj n TYR 74 Cb 0.00 -0.77 0.50 0.00 -0.38 0.00 0.00 39.34 38.69 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 -1.88 1.56 -4.68 9.48 3.02 -1.26 -3.75 115.26 117.75 3hjj n ASN 75 Ca 0.02 -1.54 -0.37 0.00 -0.03 0.00 0.00 54.58 52.67 3hjj n ASN 75 Cb 0.18 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.97 5.31 -0.09 2.41 1.01 -0.66 -0.66 121.20 126.55 3hjj s ILE 76 Ca 0.37 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3hjj s ILE 76 Cb 0.21 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 39.12 3hjj s ILE 76 CO 0.33 0.33 -0.06 -1.00 0.00 0.00 0.00 174.94 174.53 3hjj s HIS 77 N 1.00 1.22 0.11 3.97 3.76 -0.36 0.01 115.29 124.99 3hjj s HIS 77 Ca 0.12 -0.52 0.09 0.00 -0.15 0.00 0.00 55.06 54.60 3hjj s HIS 77 Cb -0.14 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 3hjj s HIS 77 CO 0.05 -0.39 -0.22 0.14 -0.85 0.00 0.00 174.74 173.47 3hjj s VAL 78 N 1.47 1.80 0.00 -0.90 -7.23 -0.36 -0.47 120.40 114.71 3hjj s VAL 78 Ca -0.01 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3hjj s VAL 78 Cb -0.13 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.18 3hjj s VAL 78 CO -0.04 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3hjj n GLY 79 N 1.05 -0.63 3.86 2.32 0.00 -0.01 -1.45 105.19 110.33 3hjj n GLY 79 Ca -0.19 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 3hjj n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hjj s LYS 80 N 0.00 3.82 -1.47 1.61 -2.85 -1.26 -3.47 119.74 116.12 3hjj s LYS 80 Ca 0.00 0.77 -0.12 0.00 -1.00 0.00 0.00 55.97 55.62 3hjj s LYS 80 Cb 0.00 -2.19 0.06 0.00 -2.06 0.00 0.00 37.83 33.63 3hjj s LYS 80 CO 0.00 -0.28 1.05 0.43 0.10 0.00 0.00 175.35 176.66 3hjj n SER 81 N -1.79 -5.29 -4.74 0.03 7.64 -1.26 -0.55 113.62 107.66 3hjj n SER 81 Ca 0.05 -0.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.83 3hjj n SER 81 Cb 0.54 -4.31 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 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 -3.32 3.39 -0.05 1.43 5.36 -1.26 -4.20 117.98 119.34 3hjj s PHE 82 Ca 0.62 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 58.03 3hjj s PHE 82 Cb -0.30 -3.46 0.02 0.00 -0.34 0.00 0.00 43.02 38.94 3hjj s PHE 82 CO 0.79 -1.28 -0.08 0.12 -1.46 0.00 0.00 175.22 173.31 3hjj s PHE 83 N -0.23 1.04 -0.05 10.12 5.36 -0.70 -0.98 117.98 132.54 3hjj s PHE 83 Ca 0.52 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3hjj s PHE 83 Cb -0.34 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.54 3hjj s PHE 83 CO 0.39 -0.21 -0.06 0.00 -1.46 0.00 0.00 175.22 173.87 3hjj s ALA 84 N 0.72 0.84 0.92 11.12 0.00 -0.28 -0.29 121.76 134.79 3hjj s ALA 84 Ca -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 3hjj s ALA 84 Cb -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3hjj s ALA 84 CO 0.02 -0.01 0.01 -1.71 0.00 0.00 0.00 175.76 174.07 3hjj n ASN 85 N 4.04 0.00 -4.57 0.00 2.85 0.03 -0.82 115.26 116.79 3hjj n ASN 85 Ca -0.24 -1.01 -0.43 0.00 -0.11 0.00 0.00 54.58 52.80 3hjj n ASN 85 Cb 0.51 -0.01 -0.00 0.00 1.24 0.00 0.00 39.78 41.51 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 -1.94 0.94 -3.52 1.20 3.01 -1.26 -3.86 117.46 112.03 3hjj n PHE 86 Ca 0.00 0.66 -0.22 0.00 1.01 0.00 0.00 57.45 58.90 3hjj n PHE 86 Cb 0.01 -2.20 0.08 0.00 -0.01 0.00 0.00 39.48 37.36 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 1.04 -5.64 -4.81 4.37 5.03 -0.64 -0.66 115.26 113.95 3hjj n ASN 87 Ca 0.10 -0.52 -0.37 0.00 0.87 0.00 0.00 54.58 54.66 3hjj n ASN 87 Cb 0.35 -4.83 -0.06 0.00 -1.02 0.00 0.00 39.78 34.22 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 -1.48 1.41 -0.22 0.00 1.01 -0.79 -1.68 120.40 118.66 3hjj s VAL 89 Ca 0.43 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3hjj s VAL 89 Cb -0.18 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 34.99 3hjj s VAL 89 CO 0.22 0.42 -0.06 -0.63 0.00 0.00 0.00 175.10 175.05 3hjj s ILE 90 N 0.68 1.44 -0.70 2.22 1.01 -0.21 -0.94 121.20 124.69 3hjj s ILE 90 Ca -0.14 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.21 3hjj s ILE 90 Cb -0.16 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.70 3hjj s ILE 90 CO 0.04 -0.04 1.03 -0.76 0.00 0.00 0.00 174.94 175.21 3hjj s LEU 91 N 1.45 4.27 -0.85 2.97 1.43 0.38 -3.08 118.68 125.25 3hjj s LEU 91 Ca -0.04 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3hjj s LEU 91 Cb -0.18 -2.44 0.34 0.00 0.03 0.00 0.00 46.19 43.95 3hjj s LEU 91 CO -0.07 -1.46 1.74 -0.90 0.23 0.00 0.00 176.35 175.89 3hjj n ASP 92 N 7.84 6.86 -0.03 2.29 3.85 -1.26 -1.70 116.55 134.40 3hjj n ASP 92 Ca 0.00 -3.75 -0.04 0.00 -0.71 0.00 0.00 54.79 50.30 3hjj n ASP 92 Cb 0.46 -0.99 0.19 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 2.25 1.25 -1.14 2.12 -1.51 -1.91 -3.42 116.25 113.89 3hjj h VAL 93 Ca 0.48 -1.14 -0.56 0.00 -1.23 0.00 0.00 66.70 64.25 3hjj h VAL 93 Cb 0.28 1.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.55 3hjj h VAL 93 CO 1.21 0.38 -0.40 0.00 -1.23 0.00 0.00 177.57 177.52 3hjj n GLU 95 N -1.50 1.96 -4.04 0.00 2.13 -1.26 -4.83 120.64 113.10 3hjj n GLU 95 Ca -0.01 0.69 -0.32 0.00 0.66 0.00 0.00 57.16 58.19 3hjj n GLU 95 Cb 0.64 -2.31 -0.15 0.00 0.27 0.00 0.00 31.44 29.89 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 -0.34 2.13 -0.23 6.31 1.01 0.16 -1.68 120.40 127.77 3hjj s VAL 96 Ca 0.65 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 3hjj s VAL 96 Cb -0.65 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3hjj s VAL 96 CO 0.53 -0.22 0.03 -0.60 0.00 0.00 0.00 175.10 174.84 3hjj s ARG 97 N 1.07 3.60 -0.08 2.72 3.52 -0.59 -1.23 118.95 127.97 3hjj s ARG 97 Ca -0.02 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.11 3hjj s ARG 97 Cb -0.20 -3.20 -0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3hjj s ARG 97 CO -0.06 -0.13 -0.23 0.42 -0.81 0.00 0.00 175.30 174.49 3hjj s ILE 98 N 1.41 1.92 0.00 4.11 1.01 0.38 -0.17 121.20 129.86 3hjj s ILE 98 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3hjj s ILE 98 Cb -0.15 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3hjj s ILE 98 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3hjj n GLY 99 N 3.29 -0.89 3.84 6.18 0.00 -0.37 -0.83 105.19 116.41 3hjj n GLY 99 Ca -0.19 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.13 6.81 -1.45 1.61 -0.00 -1.26 -1.96 116.67 119.29 3hjj s ASP 100 Ca 0.00 1.31 -0.11 0.00 -0.00 0.00 0.00 52.55 53.76 3hjj s ASP 100 Cb 0.00 -2.39 0.04 0.00 -0.00 0.00 0.00 42.92 40.58 3hjj s ASP 100 CO 0.00 -0.19 1.00 1.41 -0.00 0.00 0.00 175.17 177.39 3hjj n HIS 101 N -0.27 -2.48 -2.41 4.23 8.25 0.28 -0.49 115.22 122.33 3hjj n HIS 101 Ca 0.03 0.88 -0.03 0.00 -0.26 0.00 0.00 57.72 58.35 3hjj n HIS 101 Cb 0.53 -4.42 0.01 0.00 1.12 0.00 0.00 29.99 27.23 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 -0.02 -1.03 1.13 0.00 0.40 0.60 -1.72 117.98 117.34 3hjj s PHE 104 Ca 0.08 2.08 -0.18 0.00 -0.60 0.00 0.00 56.93 58.31 3hjj s PHE 104 Cb -0.00 0.61 0.26 0.00 0.51 0.00 0.00 43.02 44.40 3hjj s PHE 104 CO 0.05 -0.51 1.19 0.00 0.70 0.00 0.00 175.22 176.64 3hjj s ALA 105 N 1.57 1.15 0.53 5.36 0.00 0.22 -0.79 121.76 129.79 3hjj s ALA 105 Ca -0.10 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3hjj s ALA 105 Cb -0.05 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 3hjj s ALA 105 CO -0.19 -3.24 1.32 -2.14 0.00 0.00 0.00 175.76 171.51 3hjj s PRO 106 N -5.60 3.28 -0.33 0.00 0.02 -1.26 -3.40 135.00 127.70 3hjj s PRO 106 Ca 0.72 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3hjj s PRO 106 Cb -0.07 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3hjj s PRO 106 CO 0.55 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3hjj n GLY 107 N 0.67 0.60 3.72 0.52 0.00 0.16 -0.98 105.19 109.87 3hjj n GLY 107 Ca 0.10 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.95 3.25 -0.13 1.61 1.01 -1.22 -3.84 120.40 119.13 3hjj s VAL 108 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3hjj s VAL 108 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3hjj s VAL 108 CO 0.00 0.07 -0.14 -1.00 0.00 0.00 0.00 175.10 174.03 3hjj s HIS 109 N 1.08 2.79 -0.18 5.22 3.76 -0.61 -1.89 115.29 125.47 3hjj s HIS 109 Ca 0.65 -0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 3hjj s HIS 109 Cb -0.37 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3hjj s HIS 109 CO 0.30 -0.21 -0.13 0.42 -0.85 0.00 0.00 174.74 174.27 3hjj s ILE 110 N 0.32 2.76 -0.13 0.60 1.01 -0.11 -0.69 121.20 124.96 3hjj s ILE 110 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3hjj s ILE 110 Cb -0.16 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3hjj s ILE 110 CO 0.06 0.49 -0.14 -0.31 0.00 0.00 0.00 174.94 175.03 3hjj s TYR 111 N 1.17 2.78 -0.09 3.97 2.02 -0.06 -0.47 117.35 126.66 3hjj s TYR 111 Ca 0.01 -0.68 0.11 0.00 -0.37 0.00 0.00 57.07 56.15 3hjj s TYR 111 Cb -0.14 -1.82 -0.17 0.00 -0.40 0.00 0.00 41.96 39.42 3hjj s TYR 111 CO -0.05 -0.23 0.28 0.25 -1.57 0.00 0.00 175.55 174.24 3hjj n THR 112 N 3.50 0.00 -2.68 -0.71 -2.24 -0.69 -1.58 114.28 109.88 3hjj n THR 112 Ca -0.18 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 3hjj n THR 112 Cb 0.53 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.68 3.34 0.29 6.98 0.00 -1.26 -1.01 121.76 127.42 3hjj s ALA 113 Ca -0.03 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 3hjj s ALA 113 Cb 0.07 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3hjj s ALA 113 CO 0.47 0.09 0.45 -2.37 0.00 0.00 0.00 175.76 174.40 3hjj n THR 114 N 1.68 0.00 -3.89 0.00 5.66 0.15 -4.83 114.28 113.04 3hjj n THR 114 Ca -0.01 -1.29 -0.10 0.00 -3.05 0.00 0.00 64.05 59.60 3hjj n THR 114 Cb 0.47 0.87 -0.09 0.00 -1.55 0.00 0.00 70.33 70.03 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 -3.38 0.15 0.64 1.09 3.76 -1.26 -2.85 115.29 113.44 3hjj s HIS 115 Ca 0.21 -0.46 -0.18 0.00 -0.15 0.00 0.00 55.06 54.47 3hjj s HIS 115 Cb -0.02 -0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 3hjj s HIS 115 CO 0.15 -0.42 1.30 -2.14 -0.85 0.00 0.00 174.74 172.77 3hjj s PRO 116 N -2.91 2.62 0.30 8.40 0.02 -1.26 -4.94 135.00 137.23 3hjj s PRO 116 Ca -0.02 2.07 0.15 0.00 0.02 0.00 0.00 61.00 63.21 3hjj s PRO 116 Cb 0.01 -1.88 0.40 0.00 0.02 0.00 0.00 34.50 33.05 3hjj s PRO 116 CO -0.06 -1.55 1.61 1.25 -0.33 0.00 0.00 177.00 177.92 3hjj h LEU 117 N 0.63 0.00 -9.79 -5.54 5.85 -2.01 -3.41 115.31 101.05 3hjj h LEU 117 Ca -0.51 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.61 3hjj h LEU 117 Cb 1.33 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3hjj h LEU 117 CO 0.54 0.53 -0.28 -1.00 -0.34 0.00 0.00 178.44 177.89 3hjj s HIS 118 N -3.42 3.60 0.15 1.25 3.76 -1.26 -5.00 115.29 114.37 3hjj s HIS 118 Ca 0.00 0.76 -0.14 0.00 -0.15 0.00 0.00 55.06 55.53 3hjj s HIS 118 Cb 0.11 -2.13 0.03 0.00 1.11 0.00 0.00 32.58 31.70 3hjj s HIS 118 CO 0.73 0.56 1.69 -1.00 -0.85 0.00 0.00 174.74 175.86 3hjj h PRO 119 N 3.90 0.74 -0.05 8.40 0.13 -1.98 -1.43 132.00 141.71 3hjj h PRO 119 Ca -0.50 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3hjj h PRO 119 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hjj h PRO 119 CO 0.66 0.69 0.03 0.28 -0.23 0.00 0.00 178.00 179.43 3hjj h VAL 120 N 0.65 1.04 -0.45 1.56 2.07 -1.96 0.16 116.25 119.32 3hjj h VAL 120 Ca 0.16 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3hjj h VAL 120 Cb 0.24 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hjj h VAL 120 CO -0.01 0.03 0.10 -0.08 0.02 0.00 0.00 177.57 177.63 3hjj h GLU 121 N 0.04 0.74 -0.74 1.57 4.81 -1.95 -2.77 114.58 116.28 3hjj h GLU 121 Ca 0.02 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3hjj h GLU 121 Cb 0.02 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3hjj h GLU 121 CO -0.00 0.74 0.46 -0.09 -0.73 0.00 0.00 179.01 179.39 3hjj h ARG 122 N 0.61 1.00 -0.24 1.92 2.43 -0.92 -2.45 114.38 116.72 3hjj h ARG 122 Ca 0.14 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hjj h ARG 122 Cb 0.35 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hjj h ARG 122 CO 0.00 0.69 0.00 0.09 -1.51 0.00 0.00 179.97 179.24 3hjj n ASN 123 N -4.40 1.28 -0.20 -3.80 3.02 0.55 -4.33 115.26 107.38 3hjj n ASN 123 Ca 0.08 -2.00 0.14 0.00 -0.03 0.00 0.00 54.58 52.77 3hjj n ASN 123 Cb 0.06 -0.16 0.58 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.20 0.74 0.00 6.41 3.41 -0.92 -4.88 113.62 118.58 3hjj n SER 124 Ca 0.08 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3hjj n SER 124 Cb 0.20 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.24 0.72 3.50 5.00 0.00 -1.26 -5.05 105.19 109.34 3hjj n GLY 125 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.64 1.86 0.23 1.61 1.02 -1.26 -2.50 119.74 120.06 3hjj s LYS 126 Ca 0.00 -1.14 -0.03 0.00 0.02 0.00 0.00 55.97 54.82 3hjj s LYS 126 Cb 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3hjj s LYS 126 CO 0.00 0.49 0.36 -0.85 -0.92 0.00 0.00 175.35 174.43 3hjj n GLU 127 N 0.86 0.52 -3.27 1.68 0.28 -0.69 -4.78 120.64 115.23 3hjj n GLU 127 Ca -0.15 -1.67 -0.10 0.00 -0.16 0.00 0.00 57.16 55.08 3hjj n GLU 127 Cb 0.53 1.72 -0.01 0.00 1.43 0.00 0.00 31.44 35.11 3hjj n GLU 127 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 3hjj n TYR 128 N -0.36 -1.50 -4.09 -1.84 0.18 -1.13 -0.90 117.16 107.51 3hjj n TYR 128 Ca -0.01 -1.64 -0.11 0.00 1.88 0.00 0.00 57.90 58.02 3hjj n TYR 128 Cb 0.37 0.52 -0.07 0.00 -0.38 0.00 0.00 39.34 39.78 3hjj n TYR 128 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3hjj s GLY 129 N -2.61 1.04 -0.02 -7.48 0.00 -1.26 -0.68 107.32 96.31 3hjj s GLY 129 Ca 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3hjj s GLY 129 CO 0.13 -0.99 0.00 0.54 0.00 0.00 0.00 173.10 172.79 3hjj s LYS 130 N -3.96 0.22 0.83 2.90 3.01 -0.18 -4.41 119.74 118.15 3hjj s LYS 130 Ca 0.30 0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 55.22 3hjj s LYS 130 Cb 0.02 -0.39 0.10 0.00 -1.01 0.00 0.00 37.83 36.54 3hjj s LYS 130 CO 0.12 -0.12 1.18 -1.25 0.51 0.00 0.00 175.35 175.79 3hjj s PRO 131 N 0.90 1.54 -0.02 -1.68 0.04 -1.26 -2.39 135.00 132.12 3hjj s PRO 131 Ca -0.09 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.68 3hjj s PRO 131 Cb -0.12 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 3hjj s PRO 131 CO -0.02 -2.27 -0.22 0.08 0.04 0.00 0.00 177.00 174.61 3hjj s VAL 132 N -2.32 1.78 -0.06 -0.36 1.01 -0.67 -2.03 120.40 117.74 3hjj s VAL 132 Ca 0.71 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3hjj s VAL 132 Cb -0.26 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.65 3hjj s VAL 132 CO 0.52 0.50 -0.09 -0.75 0.00 0.00 0.00 175.10 175.28 3hjj s LYS 133 N -0.47 1.39 -0.07 2.72 2.20 -0.81 -1.54 119.74 123.15 3hjj s LYS 133 Ca 0.07 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 3hjj s LYS 133 Cb -0.09 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 3hjj s LYS 133 CO -0.00 -0.03 -0.18 0.42 -0.36 0.00 0.00 175.35 175.20 3hjj s ILE 134 N 0.82 1.55 0.00 5.43 1.01 0.76 -0.33 121.20 130.44 3hjj s ILE 134 Ca -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3hjj s ILE 134 Cb -0.15 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3hjj s ILE 134 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3hjj n GLY 135 N 3.54 -0.27 3.87 6.18 0.00 0.22 -1.24 105.19 117.50 3hjj n GLY 135 Ca -0.20 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.00 6.63 -1.56 1.61 0.01 -1.26 -2.62 114.94 116.75 3hjj s ASN 136 Ca 0.00 1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 53.18 3hjj s ASN 136 Cb 0.00 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.38 3hjj s ASN 136 CO 0.00 -0.20 0.34 0.59 -1.51 0.00 0.00 177.10 176.32 3hjj n ASN 137 N -0.54 -5.79 -4.74 -1.22 3.02 0.36 -0.46 115.26 105.89 3hjj n ASN 137 Ca 0.02 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 3hjj n ASN 137 Cb 0.53 -4.69 -0.06 0.00 -0.61 0.00 0.00 39.78 34.95 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 -3.08 5.14 -0.31 2.41 1.01 -1.25 -3.73 120.40 120.60 3hjj s VAL 138 Ca 0.17 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 3hjj s VAL 138 Cb -0.07 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3hjj s VAL 138 CO 0.21 0.36 0.07 0.86 0.00 0.00 0.00 175.10 176.60 3hjj s TRP 139 N 0.35 3.19 -0.33 5.22 -0.00 -0.97 -4.38 118.94 122.02 3hjj s TRP 139 Ca 0.26 -1.26 -0.12 0.00 -0.00 0.00 0.00 56.10 54.98 3hjj s TRP 139 Cb -0.16 -2.24 -0.02 0.00 -0.00 0.00 0.00 33.47 31.06 3hjj s TRP 139 CO 0.11 -0.67 0.22 0.08 -0.00 0.00 0.00 176.95 176.70 3hjj s VAL 140 N 1.43 5.19 0.86 5.86 1.01 -1.26 -0.72 120.40 132.77 3hjj s VAL 140 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3hjj s VAL 140 Cb -0.18 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.68 3hjj s VAL 140 CO 0.02 0.05 1.10 -0.83 0.00 0.00 0.00 175.10 175.44 3hjj s GLY 141 N 1.71 1.61 0.30 4.51 0.00 0.76 -0.61 107.32 115.61 3hjj s GLY 141 Ca 0.06 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.26 3hjj s GLY 141 CO 0.10 0.25 1.36 0.61 0.00 0.00 0.00 173.10 175.42 3hjj n GLY 142 N -1.74 0.73 2.89 0.20 0.00 -1.26 -2.39 105.19 103.61 3hjj n GLY 142 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.36 0.25 3.76 -0.02 0.00 -0.15 -0.62 105.19 109.77 3hjj n GLY 143 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.62 2.59 -0.13 4.61 0.00 -1.01 -4.34 121.76 121.86 3hjj s ALA 144 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3hjj s ALA 144 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3hjj s ALA 144 CO 0.00 -1.02 -0.19 0.42 0.00 0.00 0.00 175.76 174.97 3hjj s ILE 145 N -1.75 2.42 -0.31 0.00 1.01 -0.24 -1.57 121.20 120.75 3hjj s ILE 145 Ca 0.74 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3hjj s ILE 145 Cb -0.27 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.24 3hjj s ILE 145 CO 0.31 0.54 0.09 -0.63 0.00 0.00 0.00 174.94 175.25 3hjj s ILE 146 N 0.64 3.92 0.73 2.92 -1.09 0.13 -0.29 121.20 128.16 3hjj s ILE 146 Ca -0.10 -0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.37 3hjj s ILE 146 Cb -0.16 -3.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 3hjj s ILE 146 CO 0.02 -0.01 1.11 0.20 -1.23 0.00 0.00 174.94 175.03 3hjj s ASN 147 N 1.47 5.17 0.46 3.58 0.01 -0.83 -0.88 114.94 123.92 3hjj s ASN 147 Ca 0.01 0.99 -0.25 0.00 -0.71 0.00 0.00 52.86 52.91 3hjj s ASN 147 Cb -0.18 -1.71 -0.08 0.00 0.41 0.00 0.00 41.25 39.69 3hjj s ASN 147 CO 0.03 -1.49 1.42 -2.65 -1.51 0.00 0.00 177.10 172.89 3hjj n PRO 148 N -3.07 2.18 -0.79 -0.60 -0.02 -0.61 -2.98 135.00 129.11 3hjj n PRO 148 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3hjj n PRO 148 Cb 0.58 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3hjj n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjj n GLY 149 N 0.61 1.20 3.78 -1.23 0.00 -0.86 -4.93 105.19 103.75 3hjj n GLY 149 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.70 4.10 -0.03 1.61 1.01 -1.16 -4.90 120.40 117.34 3hjj s VAL 150 Ca 0.00 1.75 0.06 0.00 0.00 0.00 0.00 61.98 63.79 3hjj s VAL 150 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3hjj s VAL 150 CO 0.00 0.15 -0.22 -0.44 0.00 0.00 0.00 175.10 174.59 3hjj s SER 151 N -1.56 2.62 -0.13 3.32 0.01 -1.26 -1.93 113.70 114.78 3hjj s SER 151 Ca 0.51 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.38 3hjj s SER 151 Cb -0.20 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.63 3hjj s SER 151 CO 0.25 0.26 -0.20 -0.63 0.41 0.00 0.00 173.24 173.33 3hjj s ILE 152 N -0.40 1.85 0.98 1.44 1.01 0.55 -0.97 121.20 125.66 3hjj s ILE 152 Ca 0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3hjj s ILE 152 Cb -0.10 -1.65 0.18 0.00 0.01 0.00 0.00 42.46 40.90 3hjj s ILE 152 CO 0.00 0.51 1.20 -0.83 0.00 0.00 0.00 174.94 175.82 3hjj s GLY 153 N 0.84 1.65 0.46 6.18 0.00 0.89 -0.61 107.32 116.72 3hjj s GLY 153 Ca -0.08 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 3hjj s GLY 153 CO -0.01 -0.16 1.38 0.99 0.00 0.00 0.00 173.10 175.30 3hjj s ASP 154 N -4.34 5.86 -0.16 1.64 1.01 -1.26 -3.05 116.67 116.37 3hjj s ASP 154 Ca 0.68 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.76 3hjj s ASP 154 Cb -0.10 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3hjj s ASP 154 CO 0.53 -1.17 0.00 0.59 0.21 0.00 0.00 175.17 175.33 3hjj n ASN 155 N -0.29 -5.47 -4.77 0.27 3.02 0.39 -1.14 115.26 107.26 3hjj n ASN 155 Ca 0.06 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 3hjj n ASN 155 Cb 0.43 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 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 -1.29 2.80 -0.12 5.41 0.00 -1.17 -4.17 121.76 123.21 3hjj s ALA 156 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3hjj s ALA 156 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 3hjj s ALA 156 CO 0.00 -0.77 -0.18 0.08 0.00 0.00 0.00 175.76 174.89 3hjj s VAL 157 N -1.65 1.72 -0.26 0.00 1.01 0.08 -2.30 120.40 118.99 3hjj s VAL 157 Ca 0.70 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3hjj s VAL 157 Cb -0.27 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hjj s VAL 157 CO 0.31 0.48 0.12 -0.63 0.00 0.00 0.00 175.10 175.39 3hjj s ILE 158 N 0.90 4.78 0.66 2.22 -1.09 0.10 -1.45 121.20 127.31 3hjj s ILE 158 Ca -0.07 -0.01 -0.15 0.00 -2.23 0.00 0.00 60.65 58.18 3hjj s ILE 158 Cb -0.15 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3hjj s ILE 158 CO -0.01 0.30 1.11 0.00 -1.23 0.00 0.00 174.94 175.11 3hjj s ALA 159 N 1.63 2.49 0.49 9.38 0.00 -0.04 -0.17 121.76 135.54 3hjj s ALA 159 Ca 0.07 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 3hjj s ALA 159 Cb -0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3hjj s ALA 159 CO 0.07 -1.24 1.36 -1.13 0.00 0.00 0.00 175.76 174.82 3hjj n SER 160 N -2.41 2.86 0.00 0.00 3.41 -1.26 -1.82 113.62 114.40 3hjj n SER 160 Ca 0.10 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 3hjj n SER 160 Cb 0.52 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 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 0.71 1.99 3.77 5.00 0.00 0.21 -4.81 105.19 112.06 3hjj n GLY 161 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.30 3.29 -0.36 4.61 0.00 -0.76 -4.72 121.76 120.52 3hjj s ALA 162 Ca 0.00 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.39 3hjj s ALA 162 Cb 0.00 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.64 3hjj s ALA 162 CO 0.00 -1.11 0.11 0.08 0.00 0.00 0.00 175.76 174.84 3hjj s VAL 163 N -1.20 2.88 -0.48 0.00 1.01 -0.48 -1.08 120.40 121.04 3hjj s VAL 163 Ca 0.59 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.35 3hjj s VAL 163 Cb -0.43 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.04 3hjj s VAL 163 CO 0.56 -0.53 0.76 -0.69 0.00 0.00 0.00 175.10 175.20 3hjj s VAL 164 N 1.09 4.67 -0.56 2.92 1.01 0.60 -1.07 120.40 129.06 3hjj s VAL 164 Ca 0.06 0.14 0.13 0.00 0.00 0.00 0.00 61.98 62.30 3hjj s VAL 164 Cb -0.21 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.69 3hjj s VAL 164 CO -0.05 -0.80 0.52 0.35 0.00 0.00 0.00 175.10 175.12 3hjj n THR 165 N 5.98 0.00 -4.09 3.92 -2.24 -1.26 -1.96 114.28 114.63 3hjj n THR 165 Ca -0.00 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 3hjj n THR 165 Cb 0.47 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 3hjj n THR 165 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3hjj s LYS 166 N -2.23 1.51 0.49 -0.78 0.00 -1.26 -4.95 119.74 112.52 3hjj s LYS 166 Ca 0.04 -1.49 -0.22 0.00 0.00 0.00 0.00 55.97 54.31 3hjj s LYS 166 Cb 0.09 0.40 -0.08 0.00 0.00 0.00 0.00 37.83 38.24 3hjj s LYS 166 CO 0.52 -0.59 0.99 -0.25 0.00 0.00 0.00 175.35 176.02 3hjj n ASP 167 N -0.57 1.07 -4.20 0.03 8.00 -1.26 -4.77 116.55 114.85 3hjj n ASP 167 Ca 0.00 0.94 -0.33 0.00 0.71 0.00 0.00 54.79 56.12 3hjj n ASP 167 Cb 0.63 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.20 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 -1.38 2.34 0.93 2.53 1.01 -0.14 -4.97 120.40 120.72 3hjj s VAL 168 Ca 0.68 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 3hjj s VAL 168 Cb -0.49 -1.97 0.15 0.00 0.00 0.00 0.00 36.38 34.07 3hjj s VAL 168 CO 0.53 0.53 1.09 -2.16 0.00 0.00 0.00 175.10 175.09 3hjj s PRO 169 N 0.94 0.94 0.73 2.72 0.04 -1.26 -0.08 135.00 139.02 3hjj s PRO 169 Ca -0.03 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 3hjj s PRO 169 Cb -0.15 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3hjj s PRO 169 CO -0.03 -2.46 0.95 0.09 0.04 0.00 0.00 177.00 175.59 3hjj n ASN 170 N -4.03 0.40 -3.18 6.66 3.02 -1.26 -3.95 115.26 112.92 3hjj n ASN 170 Ca 0.07 0.65 -0.23 0.00 -0.03 0.00 0.00 54.58 55.04 3hjj n ASN 170 Cb 0.55 -1.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.34 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 -1.70 -5.24 -4.34 6.41 3.02 -0.29 -4.88 115.26 108.23 3hjj n ASN 171 Ca 0.13 -0.34 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 3hjj n ASN 171 Cb 0.49 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 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 -3.10 1.74 -0.20 2.41 -7.23 -1.25 -0.42 120.40 112.35 3hjj s VAL 172 Ca 0.35 -2.18 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 3hjj s VAL 172 Cb -0.17 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 3hjj s VAL 172 CO 0.44 -0.57 0.08 -0.69 -0.31 0.00 0.00 175.10 174.05 3hjj s VAL 173 N -2.88 4.86 0.17 1.32 1.01 -0.03 -0.74 120.40 124.11 3hjj s VAL 173 Ca 0.22 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3hjj s VAL 173 Cb -0.01 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3hjj s VAL 173 CO 0.07 0.43 -0.21 0.68 0.00 0.00 0.00 175.10 176.08 3hjj s VAL 174 N 0.56 2.58 0.21 2.92 -7.23 -0.53 -0.09 120.40 118.82 3hjj s VAL 174 Ca 0.04 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.17 3hjj s VAL 174 Cb -0.13 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.62 3hjj s VAL 174 CO 0.01 -0.06 0.59 -0.83 -0.31 0.00 0.00 175.10 174.51 3hjj s GLY 175 N -2.55 -0.21 0.00 2.32 0.00 -0.62 -0.87 107.32 105.40 3hjj s GLY 175 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.84 3hjj s GLY 175 CO 0.10 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.69 3hjj n GLY 176 N -0.38 -3.68 2.59 0.20 0.00 -1.26 -1.03 105.19 101.63 3hjj n GLY 176 Ca -0.10 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.77 3.21 0.57 1.61 3.04 -1.26 -1.38 114.94 119.96 3hjj s ASN 177 Ca 0.00 -1.10 -0.17 0.00 0.04 0.00 0.00 52.86 51.62 3hjj s ASN 177 Cb 0.00 -0.38 -0.05 0.00 -1.54 0.00 0.00 41.25 39.28 3hjj s ASN 177 CO 0.00 -0.40 1.07 -2.16 -3.04 0.00 0.00 177.10 172.57 3hjj s PRO 178 N 2.05 3.37 0.45 0.43 0.04 -1.26 -5.02 135.00 135.06 3hjj s PRO 178 Ca 0.06 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 3hjj s PRO 178 Cb -0.16 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3hjj s PRO 178 CO -0.26 -0.79 1.42 0.00 0.04 0.00 0.00 177.00 177.41 3hjj s ALA 179 N -2.18 3.22 0.04 8.56 0.00 -0.23 -4.91 121.76 126.26 3hjj s ALA 179 Ca 0.67 1.46 0.01 0.00 0.00 0.00 0.00 51.96 54.10 3hjj s ALA 179 Cb -0.18 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 3hjj s ALA 179 CO 0.31 -1.20 -0.05 0.15 0.00 0.00 0.00 175.76 174.97 3hjj s LYS 180 N -2.47 0.46 0.22 0.00 1.02 -0.19 -4.85 119.74 113.92 3hjj s LYS 180 Ca 0.61 -0.77 -0.32 0.00 0.02 0.00 0.00 55.97 55.52 3hjj s LYS 180 Cb -0.44 -0.07 -0.12 0.00 -0.52 0.00 0.00 37.83 36.68 3hjj s LYS 180 CO 0.56 -0.01 1.68 0.28 -0.92 0.00 0.00 175.35 176.94 3hjj n VAL 181 N 1.32 0.22 -0.04 3.17 0.31 -1.26 -1.59 118.33 120.46 3hjj n VAL 181 Ca -0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3hjj n VAL 181 Cb 0.56 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3hjj n VAL 181 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3hjj n ILE 182 N 3.51 0.00 -3.62 2.52 -5.35 0.87 -4.91 119.36 112.38 3hjj n ILE 182 Ca 0.15 -0.46 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 3hjj n ILE 182 Cb 0.34 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.22 3hjj n ILE 182 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3hjj s LYS 183 N -0.52 0.48 -0.14 6.28 2.20 -1.16 -4.99 119.74 121.89 3hjj s LYS 183 Ca 0.00 0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.92 3hjj s LYS 183 Cb 0.00 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 3hjj s LYS 183 CO 0.00 -0.10 0.12 0.99 -0.36 0.00 0.00 175.35 176.01 3hjj s THR 184 N -0.26 5.37 -0.18 3.43 2.01 -1.26 -0.85 115.64 123.91 3hjj s THR 184 Ca 0.02 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 3hjj s THR 184 Cb -0.03 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3hjj s THR 184 CO -0.04 0.56 0.21 -0.63 -0.69 0.00 0.00 174.62 174.02 3hjj s ILE 185 N -0.58 5.36 -1.96 1.82 1.01 0.44 -4.94 121.20 122.35 3hjj s ILE 185 Ca 0.12 0.36 0.16 0.00 0.00 0.00 0.00 60.65 61.29 3hjj s ILE 185 Cb -0.12 -3.54 0.12 0.00 0.01 0.00 0.00 42.46 38.93 3hjj s ILE 185 CO 0.02 0.42 1.00 -0.62 0.00 0.00 0.00 174.94 175.76