#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 3.77 0.35 -0.18 -4.23 -1.26 -4.92 115.64 109.17 3hjj s THR 3 Ca 0.00 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.10 3hjj s THR 3 Cb 0.00 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.58 3hjj s THR 3 CO 0.00 -0.75 2.01 -0.33 -0.54 0.00 0.00 174.62 175.01 3hjj h GLU 4 N -0.63 0.85 -0.47 3.99 4.39 -1.99 -1.58 114.58 119.13 3hjj h GLU 4 Ca -0.45 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 3hjj h GLU 4 Cb 1.24 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3hjj h GLU 4 CO 0.62 0.56 0.04 -0.22 -1.16 0.00 0.00 179.01 178.86 3hjj h LYS 5 N 0.88 0.76 -0.42 2.33 3.64 -1.92 -2.55 116.57 119.27 3hjj h LYS 5 Ca 0.24 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hjj h LYS 5 Cb -0.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3hjj h LYS 5 CO -0.05 0.74 0.20 -0.44 -2.27 0.00 0.00 179.45 177.63 3hjj h ASP 6 N 0.72 0.55 0.00 4.20 3.32 -1.69 -2.21 116.42 121.31 3hjj h ASP 6 Ca 0.15 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hjj h ASP 6 Cb 0.37 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hjj h ASP 6 CO 0.01 0.53 0.00 0.29 -1.72 0.00 0.00 179.24 178.35 3hjj n LYS 7 N -4.67 0.02 0.00 3.56 5.02 -0.70 -1.88 118.16 119.51 3hjj n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hjj n LYS 7 Cb 0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.66 0.00 0.00 -0.35 4.77 -0.83 -1.05 117.00 120.19 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 0.01 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 41.76 3hjj n LEU 9 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 3hjj n ALA 10 N 0.00 2.36 -0.74 -1.18 0.00 -0.79 -4.80 120.51 115.36 3hjj n ALA 10 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hjj n ALA 10 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.28 0.58 0.00 0.00 0.00 -0.91 -5.08 105.19 101.06 3hjj n GLY 11 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.74 0.00 0.00 1.61 1.02 -0.22 -4.51 120.64 115.80 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 -2.72 -0.32 4.11 -0.14 -4.58 117.16 113.51 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 4.40 0.44 -3.48 1.01 -1.26 -1.61 121.20 118.70 3hjj s ILE 15 Ca 0.00 1.10 0.18 0.00 0.00 0.00 0.00 60.65 61.93 3hjj s ILE 15 Cb 0.00 -4.48 0.22 0.00 0.01 0.00 0.00 42.46 38.21 3hjj s ILE 15 CO 0.00 -0.81 2.02 0.00 0.00 0.00 0.00 174.94 176.15 3hjj h ALA 16 N 8.93 1.58 -0.16 9.38 0.00 -1.86 -2.15 119.26 134.97 3hjj h ALA 16 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hjj h ALA 16 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hjj h ALA 16 CO 1.06 0.20 0.00 -3.47 0.00 0.00 0.00 179.25 177.04 3hjj n ASP 17 N -4.12 1.32 -4.61 0.00 2.03 -1.26 -4.39 116.55 105.51 3hjj n ASP 17 Ca -0.02 -1.71 -0.48 0.00 0.52 0.00 0.00 54.79 53.10 3hjj n ASP 17 Cb 0.24 -0.10 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 3hjj n ASP 17 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3hjj n ASP 18 N 0.12 1.87 -0.25 1.67 -0.08 -0.81 -4.72 116.55 114.34 3hjj n ASP 18 Ca 0.14 1.14 0.02 0.00 -1.51 0.00 0.00 54.79 54.58 3hjj n ASP 18 Cb 0.26 -1.29 0.09 0.00 2.34 0.00 0.00 41.12 42.52 3hjj n ASP 18 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3hjj h GLU 19 N 3.79 0.01 -0.39 -0.67 4.81 -1.91 -0.63 114.58 119.59 3hjj h GLU 19 Ca -0.44 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 3hjj h GLU 19 Cb 1.32 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3hjj h GLU 19 CO 0.73 0.01 0.04 1.49 -0.73 0.00 0.00 179.01 180.55 3hjj h GLU 20 N 0.01 0.67 -0.55 1.92 4.81 -1.98 -2.12 114.58 117.34 3hjj h GLU 20 Ca 0.36 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3hjj h GLU 20 Cb 0.56 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3hjj h GLU 20 CO -0.73 0.73 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.15 3hjj h LEU 21 N 0.51 1.00 -0.37 1.64 3.38 -1.69 -1.66 115.31 118.13 3hjj h LEU 21 Ca 0.12 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hjj h LEU 21 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hjj h LEU 21 CO 0.01 1.10 0.22 0.58 0.09 0.00 0.00 178.44 180.44 3hjj h VAL 22 N 0.89 1.06 -0.96 1.22 2.07 -1.07 0.13 116.25 119.59 3hjj h VAL 22 Ca 0.15 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hjj h VAL 22 Cb 0.62 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hjj h VAL 22 CO 0.04 0.08 0.60 0.00 0.02 0.00 0.00 177.57 178.31 3hjj h ALA 23 N 1.15 1.25 -0.70 1.67 0.00 -1.22 0.01 119.26 121.43 3hjj h ALA 23 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hjj h ALA 23 Cb -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3hjj h ALA 23 CO -0.06 0.66 0.24 -0.44 0.00 0.00 0.00 179.25 179.65 3hjj h ASP 24 N 1.31 1.01 -0.29 0.00 3.45 -0.72 -1.47 116.42 119.72 3hjj h ASP 24 Ca 0.35 -0.20 -0.09 0.00 0.43 0.00 0.00 57.03 57.52 3hjj h ASP 24 Cb -0.09 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.41 3hjj h ASP 24 CO -0.07 0.94 -0.18 0.03 -1.57 0.00 0.00 179.24 178.39 3hjj h ARG 25 N 1.03 0.63 -0.30 3.56 3.08 -0.25 -0.13 114.38 122.00 3hjj h ARG 25 Ca 0.23 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3hjj h ARG 25 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hjj h ARG 25 CO -0.01 0.88 -0.18 -0.39 -1.07 0.00 0.00 179.97 179.20 3hjj h VAL 26 N 0.37 1.25 -0.40 2.04 -1.51 -0.95 -1.77 116.25 115.28 3hjj h VAL 26 Ca 0.06 -1.15 -0.13 0.00 -1.23 0.00 0.00 66.70 64.25 3hjj h VAL 26 Cb 0.72 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3hjj h VAL 26 CO 0.05 0.37 -0.26 -0.08 -1.23 0.00 0.00 177.57 176.43 3hjj h GLU 27 N 0.48 0.88 -0.79 5.19 4.81 -1.14 -2.07 114.58 121.94 3hjj h GLU 27 Ca 0.08 -0.41 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3hjj h GLU 27 Cb 0.59 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 3hjj h GLU 27 CO 0.04 1.06 0.48 0.00 -0.73 0.00 0.00 179.01 179.87 3hjj h ALA 28 N 0.80 1.07 -0.51 2.92 0.00 -0.67 -1.31 119.26 121.55 3hjj h ALA 28 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hjj h ALA 28 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hjj h ALA 28 CO 0.07 0.23 0.09 0.87 0.00 0.00 0.00 179.25 180.52 3hjj h LYS 29 N 0.90 0.84 -0.25 0.00 1.57 -1.12 0.11 116.57 118.62 3hjj h LYS 29 Ca 0.34 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3hjj h LYS 29 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hjj h LYS 29 CO -0.16 0.83 0.14 0.00 -0.57 0.00 0.00 179.45 179.69 3hjj h ARG 30 N 0.73 0.35 -0.63 3.15 3.08 -1.04 -1.27 114.38 118.73 3hjj h ARG 30 Ca 0.16 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3hjj h ARG 30 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3hjj h ARG 30 CO 0.01 0.31 0.04 1.25 -1.07 0.00 0.00 179.97 180.51 3hjj h LEU 31 N 0.29 1.05 -0.89 3.04 5.85 -1.18 -2.80 115.31 120.67 3hjj h LEU 31 Ca 0.09 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3hjj h LEU 31 Cb 0.06 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3hjj h LEU 31 CO -0.01 1.08 0.58 0.74 -0.34 0.00 0.00 178.44 180.48 3hjj h THR 32 N 0.99 1.15 -0.47 1.05 2.02 -0.57 0.29 112.91 117.36 3hjj h THR 32 Ca 0.18 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3hjj h THR 32 Cb 0.51 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3hjj h THR 32 CO 0.02 0.20 0.31 -0.09 0.37 0.00 0.00 175.52 176.34 3hjj h ARG 33 N 1.12 0.62 -0.57 6.66 2.43 -1.05 0.17 114.38 123.76 3hjj h ARG 33 Ca 0.36 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3hjj h ARG 33 Cb 0.01 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3hjj h ARG 33 CO -0.12 0.42 0.24 -0.07 -1.51 0.00 0.00 179.97 178.93 3hjj h LEU 34 N 0.64 0.78 -0.10 3.80 4.07 -1.15 -2.00 115.31 121.34 3hjj h LEU 34 Ca 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3hjj h LEU 34 Cb -0.06 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 3hjj h LEU 34 CO -0.04 0.73 0.06 0.22 -1.08 0.00 0.00 178.44 178.33 3hjj h TYR 35 N 0.79 0.14 -0.92 1.13 5.03 -0.52 -0.66 116.97 121.95 3hjj h TYR 35 Ca 0.19 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.51 3hjj h TYR 35 Cb 0.19 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.38 3hjj h TYR 35 CO 0.01 0.16 0.61 -0.91 -1.32 0.00 0.00 178.16 176.71 3hjj h ASN 36 N 0.08 1.06 -0.61 -2.11 2.35 -0.84 -0.09 115.58 115.42 3hjj h ASN 36 Ca 0.04 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3hjj h ASN 36 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3hjj h ASN 36 CO -0.01 0.77 0.12 -0.33 -1.65 0.00 0.00 177.43 176.33 3hjj h GLU 37 N 1.25 1.00 -0.32 0.81 5.08 -1.21 0.09 114.58 121.29 3hjj h GLU 37 Ca 0.34 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3hjj h GLU 37 Cb -0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3hjj h GLU 37 CO -0.07 0.93 0.14 0.00 -1.00 0.00 0.00 179.01 179.01 3hjj h ALA 38 N 1.03 0.38 -0.36 3.43 0.00 -0.24 -0.76 119.26 122.73 3hjj h ALA 38 Ca 0.19 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3hjj h ALA 38 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hjj h ALA 38 CO 0.01 -0.24 -0.42 -0.24 0.00 0.00 0.00 179.25 178.35 3hjj h VAL 39 N 0.30 1.27 -1.01 0.00 3.04 -0.91 0.28 116.25 119.22 3hjj h VAL 39 Ca 0.13 -1.60 0.02 0.00 -1.01 0.00 0.00 66.70 64.24 3hjj h VAL 39 Cb 0.07 1.43 -0.05 0.00 -2.01 0.00 0.00 31.29 30.73 3hjj h VAL 39 CO -0.11 0.53 0.67 -0.33 -1.01 0.00 0.00 177.57 177.32 3hjj h GLU 40 N 0.74 1.30 -0.01 4.17 5.08 -0.81 -2.53 114.58 122.52 3hjj h GLU 40 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hjj h GLU 40 Cb 1.02 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3hjj h GLU 40 CO 0.10 0.86 -0.16 0.25 -1.00 0.00 0.00 179.01 179.06 3hjj n THR 41 N -4.40 0.00 -2.51 1.13 -2.24 -0.31 -4.94 114.28 101.01 3hjj n THR 41 Ca 0.12 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3hjj n THR 41 Cb 0.03 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.28 0.22 3.76 3.38 0.00 -0.39 -5.02 105.19 108.42 3hjj n GLY 42 Ca 0.15 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.88 7.36 0.53 1.61 2.15 -0.05 -4.96 116.67 120.44 3hjj s ASP 43 Ca 0.11 1.62 0.23 0.00 0.43 0.00 0.00 52.55 54.94 3hjj s ASP 43 Cb -0.05 -2.51 1.39 0.00 -0.30 0.00 0.00 42.92 41.45 3hjj s ASP 43 CO 0.13 0.11 2.04 -0.08 -0.17 0.00 0.00 175.17 177.20 3hjj h GLU 44 N 4.91 0.00 0.00 4.34 4.81 -1.95 -1.61 114.58 125.08 3hjj h GLU 44 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hjj h GLU 44 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hjj h GLU 44 CO 0.68 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 179.50 3hjj n ARG 45 N -4.36 0.52 -0.30 1.92 3.00 -1.26 -3.10 116.66 113.07 3hjj n ARG 45 Ca 0.06 0.03 0.06 0.00 -0.01 0.00 0.00 57.85 57.99 3hjj n ARG 45 Cb 0.45 -1.50 0.27 0.00 0.00 0.00 0.00 32.46 31.68 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 0.92 -0.47 5.56 0.11 -1.59 -1.83 114.38 117.08 3hjj h ARG 46 Ca 0.00 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 3hjj h ARG 46 Cb 0.05 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 30.91 3hjj h ARG 46 CO 0.00 0.61 -0.02 0.74 0.10 0.00 0.00 179.97 181.40 3hjj h PHE 47 N 0.95 0.93 -0.81 4.08 -1.00 -1.80 -0.08 116.94 119.20 3hjj h PHE 47 Ca 0.41 -0.17 -0.03 0.00 2.81 0.00 0.00 57.97 61.00 3hjj h PHE 47 Cb 0.35 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3hjj h PHE 47 CO -0.00 0.89 0.40 1.15 -1.61 0.00 0.00 178.31 179.14 3hjj h THR 48 N 0.70 1.25 -0.20 -1.55 2.02 -1.68 0.11 112.91 113.56 3hjj h THR 48 Ca 0.13 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 3hjj h THR 48 Cb 0.53 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3hjj h THR 48 CO 0.03 0.30 0.00 -0.07 0.37 0.00 0.00 175.52 176.15 3hjj h LEU 49 N 1.15 0.35 -1.24 2.58 3.38 -1.11 -2.68 115.31 117.73 3hjj h LEU 49 Ca 0.28 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hjj h LEU 49 Cb 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hjj h LEU 49 CO -0.04 0.57 0.35 0.25 0.09 0.00 0.00 178.44 179.66 3hjj h LEU 50 N 0.12 0.77 -1.31 1.67 5.85 -0.63 -1.43 115.31 120.34 3hjj h LEU 50 Ca 0.06 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hjj h LEU 50 Cb 0.39 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hjj h LEU 50 CO 0.01 0.62 0.00 0.78 -0.34 0.00 0.00 178.44 179.51 3hjj h ASN 51 N 0.88 0.00 1.39 1.25 2.35 -0.85 -0.35 115.58 120.25 3hjj h ASN 51 Ca 0.22 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3hjj h ASN 51 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hjj h ASN 51 CO -0.04 0.00 -0.63 1.56 -1.65 0.00 0.00 177.43 176.68 3hjj h GLN 52 N 0.00 0.00 0.00 0.81 1.08 -0.95 -3.40 115.11 112.66 3hjj h GLN 52 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3hjj h GLN 52 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3hjj h GLN 52 CO 0.00 0.14 -0.65 1.25 -0.95 0.00 0.00 178.83 178.62 3hjj h LEU 53 N 0.00 0.00-10.14 1.46 5.85 -0.50 -3.48 115.31 108.50 3hjj h LEU 53 Ca -0.03 -0.35 -0.52 0.00 0.84 0.00 0.00 57.88 57.83 3hjj h LEU 53 Cb 1.16 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.30 3hjj h LEU 53 CO 0.02 1.04 0.42 -0.76 -0.34 0.00 0.00 178.44 178.82 3hjj s LEU 54 N -8.13 3.52 0.13 2.25 1.43 -0.27 -2.83 118.68 114.77 3hjj s LEU 54 Ca -0.19 2.22 -0.18 0.00 -1.03 0.00 0.00 54.13 54.96 3hjj s LEU 54 Cb 0.02 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 3hjj s LEU 54 CO 0.40 -1.69 1.73 1.23 0.23 0.00 0.00 176.35 178.25 3hjj h GLY 55 N 0.41 0.47 -4.06 -3.19 0.00 0.03 -3.43 103.07 93.29 3hjj h GLY 55 Ca -0.49 -0.21 0.12 0.00 0.00 0.00 0.00 47.33 46.75 3hjj h GLY 55 CO 0.54 0.20 0.58 -1.35 0.00 0.00 0.00 176.54 176.51 3hjj s SER 56 N -5.61 -0.32 0.04 0.19 1.04 -0.92 -4.99 113.70 103.12 3hjj s SER 56 Ca -0.13 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.54 3hjj s SER 56 Cb 0.09 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3hjj s SER 56 CO 0.72 -0.40 -0.07 -0.94 0.98 0.00 0.00 173.24 173.53 3hjj s SER 57 N -1.64 0.80 0.33 7.02 1.04 -1.26 -1.15 113.70 118.84 3hjj s SER 57 Ca 0.02 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.02 3hjj s SER 57 Cb -0.01 0.03 0.59 0.00 0.10 0.00 0.00 66.02 66.73 3hjj s SER 57 CO -0.03 -0.18 1.79 0.00 0.98 0.00 0.00 173.24 175.81 3hjj h ALA 58 N 4.66 1.28 -0.00 5.32 0.00 -1.27 -3.29 119.26 125.95 3hjj h ALA 58 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hjj h ALA 58 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hjj h ALA 58 CO 0.42 0.49 -0.00 -0.40 0.00 0.00 0.00 179.25 179.75 3hjj n ASP 59 N -4.14 0.83 -0.32 0.00 5.68 -1.26 -4.91 116.55 112.42 3hjj n ASP 59 Ca -0.01 -0.91 -0.04 0.00 -0.50 0.00 0.00 54.79 53.32 3hjj n ASP 59 Cb 0.38 0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.19 0.58 1.04 6.12 0.00 -1.24 -4.85 105.19 107.03 3hjj n GLY 60 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.22 1.07 -1.66 1.61 4.01 -1.26 -4.90 118.16 115.82 3hjj n LYS 61 Ca -0.04 -2.86 -0.45 0.00 -0.51 0.00 0.00 58.31 54.45 3hjj n LYS 61 Cb 0.35 -1.04 -0.03 0.00 -0.51 0.00 0.00 35.03 33.80 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 -0.49 0.97 -3.48 7.82 0.00 -1.26 -4.75 120.51 119.32 3hjj n ALA 62 Ca 0.15 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.60 3hjj n ALA 62 Cb 0.88 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.26 2.53 -0.20 0.00 0.74 0.28 -4.98 119.66 117.77 3hjj s GLN 63 Ca 0.70 -1.70 0.02 0.00 0.05 0.00 0.00 55.36 54.43 3hjj s GLN 63 Cb -0.67 -3.92 0.03 0.00 1.10 0.00 0.00 33.01 29.55 3hjj s GLN 63 CO 0.49 -1.15 -0.17 0.42 -0.55 0.00 0.00 175.29 174.32 3hjj s ILE 64 N 1.39 2.06 0.74 -2.34 1.01 -1.26 -1.16 121.20 121.64 3hjj s ILE 64 Ca 0.05 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 3hjj s ILE 64 Cb -0.26 -1.96 0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hjj s ILE 64 CO 0.00 0.38 1.07 0.20 0.00 0.00 0.00 174.94 176.59 3hjj s ASN 65 N 1.25 4.93 0.65 3.58 0.01 0.01 -4.96 114.94 120.41 3hjj s ASN 65 Ca 0.01 1.62 -0.10 0.00 -0.71 0.00 0.00 52.86 53.68 3hjj s ASN 65 Cb -0.15 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.09 3hjj s ASN 65 CO -0.11 -1.74 1.02 -2.16 -1.51 0.00 0.00 177.10 172.61 3hjj s PRO 66 N -5.02 3.01 -0.32 -0.60 0.04 -1.26 -3.67 135.00 127.17 3hjj s PRO 66 Ca 0.59 0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 3hjj s PRO 66 Cb -0.15 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3hjj s PRO 66 CO 0.55 -0.84 0.56 -0.51 0.04 0.00 0.00 177.00 176.80 3hjj s ASP 67 N -4.31 6.39 0.36 6.66 1.01 -1.26 -1.76 116.67 123.77 3hjj s ASP 67 Ca 0.56 0.20 -0.25 0.00 0.71 0.00 0.00 52.55 53.77 3hjj s ASP 67 Cb -0.11 -2.29 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 3hjj s ASP 67 CO 0.50 -0.46 0.98 0.12 0.21 0.00 0.00 175.17 176.51 3hjj s PHE 68 N 2.48 3.51 0.00 4.23 2.19 -1.24 -3.93 117.98 125.23 3hjj s PHE 68 Ca 0.21 1.72 0.01 0.00 0.33 0.00 0.00 56.93 59.21 3hjj s PHE 68 Cb -0.15 -2.97 -0.01 0.00 -1.31 0.00 0.00 43.02 38.58 3hjj s PHE 68 CO 0.13 -0.08 -0.05 1.03 1.83 0.00 0.00 175.22 178.08 3hjj s ARG 69 N -2.35 0.39 0.15 10.12 1.81 -0.82 -4.94 118.95 123.31 3hjj s ARG 69 Ca 0.54 -0.23 -0.12 0.00 -1.72 0.00 0.00 55.73 54.20 3hjj s ARG 69 Cb -0.18 -0.35 0.01 0.00 -0.45 0.00 0.00 34.95 33.98 3hjj s ARG 69 CO 0.23 0.09 0.33 0.00 -0.68 0.00 0.00 175.30 175.28 3hjj h ASP 71 N 2.49 -0.00 0.00 0.00 3.32 -1.87 -3.44 116.42 116.91 3hjj h ASP 71 Ca -0.32 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 55.90 3hjj h ASP 71 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3hjj h ASP 71 CO 0.47 0.91 -0.95 -1.22 -1.72 0.00 0.00 179.24 176.74 3hjj n TYR 72 N -4.64 0.00 0.00 4.55 4.02 -1.26 -4.40 117.16 115.43 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 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 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 2.97 1.76 0.00 2.72 0.00 -1.26 -4.73 105.19 106.65 3hjj n GLY 73 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.09 1.61 0.18 -1.13 -1.59 117.16 117.32 3hjj n TYR 74 Ca 0.00 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.88 3hjj n TYR 74 Cb 0.00 -0.48 0.34 0.00 -0.38 0.00 0.00 39.34 38.82 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 -1.48 1.93 -4.63 9.48 3.02 -1.26 -3.68 115.26 118.63 3hjj n ASN 75 Ca 0.05 -1.76 -0.36 0.00 -0.03 0.00 0.00 54.58 52.47 3hjj n ASN 75 Cb 0.20 -0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.74 5.09 -0.14 2.41 1.01 -0.62 -0.68 121.20 126.52 3hjj s ILE 76 Ca 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 3hjj s ILE 76 Cb 0.18 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.33 3hjj s ILE 76 CO 0.26 0.38 -0.04 -1.00 0.00 0.00 0.00 174.94 174.54 3hjj s HIS 77 N 0.92 1.44 0.14 3.97 3.76 -0.22 -0.52 115.29 124.77 3hjj s HIS 77 Ca 0.06 -0.86 0.10 0.00 -0.15 0.00 0.00 55.06 54.21 3hjj s HIS 77 Cb -0.13 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 3hjj s HIS 77 CO 0.03 -0.56 -0.22 0.14 -0.85 0.00 0.00 174.74 173.29 3hjj s VAL 78 N 1.72 2.56 0.00 -0.90 -7.23 -0.30 -0.03 120.40 116.22 3hjj s VAL 78 Ca 0.02 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3hjj s VAL 78 Cb -0.14 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 3hjj s VAL 78 CO -0.07 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 3hjj n GLY 79 N 0.73 -0.57 3.77 2.32 0.00 -0.09 -1.37 105.19 109.98 3hjj n GLY 79 Ca -0.16 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 0.10 3.46 -1.44 1.61 1.02 -1.26 -3.57 119.74 119.66 3hjj s LYS 80 Ca 0.00 1.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.57 3hjj s LYS 80 Cb 0.00 -2.12 0.05 0.00 -0.52 0.00 0.00 37.83 35.24 3hjj s LYS 80 CO 0.00 -0.78 0.99 0.43 -0.92 0.00 0.00 175.35 175.07 3hjj n SER 81 N -1.07 -4.52 -4.73 2.83 7.64 -1.26 -0.65 113.62 111.86 3hjj n SER 81 Ca 0.10 -0.72 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 3hjj n SER 81 Cb 0.50 -4.25 -0.03 0.00 -1.01 0.00 0.00 64.21 59.42 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 -3.36 3.36 -0.08 1.43 5.36 -1.25 -4.22 117.98 119.22 3hjj s PHE 82 Ca 0.52 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 3hjj s PHE 82 Cb -0.25 -3.50 0.02 0.00 -0.34 0.00 0.00 43.02 38.95 3hjj s PHE 82 CO 0.80 -1.50 -0.10 0.12 -1.46 0.00 0.00 175.22 173.07 3hjj s PHE 83 N 0.21 1.42 -0.09 10.12 5.36 -0.71 -0.55 117.98 133.75 3hjj s PHE 83 Ca 0.55 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.95 3hjj s PHE 83 Cb -0.34 -1.10 0.02 0.00 -0.34 0.00 0.00 43.02 41.26 3hjj s PHE 83 CO 0.36 -0.35 -0.13 0.00 -1.46 0.00 0.00 175.22 173.64 3hjj s ALA 84 N 1.03 1.41 1.00 11.12 0.00 -0.31 -0.15 121.76 135.87 3hjj s ALA 84 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3hjj s ALA 84 Cb -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3hjj s ALA 84 CO -0.01 -0.02 0.00 -1.71 0.00 0.00 0.00 175.76 174.03 3hjj n ASN 85 N 4.09 -0.05 -4.72 0.00 4.05 0.49 -0.81 115.26 118.31 3hjj n ASN 85 Ca -0.20 -0.72 -0.42 0.00 0.45 0.00 0.00 54.58 53.69 3hjj n ASN 85 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 3hjj n ASN 85 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3hjj n PHE 86 N -1.53 2.45 -3.37 1.20 3.01 -1.26 -3.92 117.46 114.04 3hjj n PHE 86 Ca 0.00 0.51 -0.18 0.00 1.01 0.00 0.00 57.45 58.79 3hjj n PHE 86 Cb 0.00 -2.44 0.07 0.00 -0.01 0.00 0.00 39.48 37.11 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 0.53 -4.15 -4.85 4.37 5.03 -0.72 -0.57 115.26 114.90 3hjj n ASN 87 Ca 0.04 -0.50 -0.35 0.00 0.87 0.00 0.00 54.58 54.64 3hjj n ASN 87 Cb 0.38 -4.50 -0.06 0.00 -1.02 0.00 0.00 39.78 34.58 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 -1.57 1.35 -0.22 0.00 1.01 -0.77 -1.94 120.40 118.24 3hjj s VAL 89 Ca 0.41 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3hjj s VAL 89 Cb -0.14 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.07 3hjj s VAL 89 CO 0.20 0.41 -0.05 -0.63 0.00 0.00 0.00 175.10 175.02 3hjj s ILE 90 N 0.77 1.44 -0.73 2.22 1.01 -0.08 -1.24 121.20 124.58 3hjj s ILE 90 Ca -0.12 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.23 3hjj s ILE 90 Cb -0.16 -1.68 0.09 0.00 0.01 0.00 0.00 42.46 40.72 3hjj s ILE 90 CO 0.02 -0.05 0.98 -0.76 0.00 0.00 0.00 174.94 175.13 3hjj s LEU 91 N 1.45 4.71 -0.93 2.97 1.43 -0.23 -2.89 118.68 125.20 3hjj s LEU 91 Ca -0.04 -1.36 -0.00 0.00 -1.03 0.00 0.00 54.13 51.70 3hjj s LEU 91 Cb -0.18 -2.40 0.33 0.00 0.03 0.00 0.00 46.19 43.97 3hjj s LEU 91 CO -0.07 -1.29 1.70 -0.90 0.23 0.00 0.00 176.35 176.02 3hjj n ASP 92 N 7.19 6.89 -0.06 2.29 3.85 -1.26 -1.63 116.55 133.82 3hjj n ASP 92 Ca 0.03 -3.71 -0.07 0.00 -0.71 0.00 0.00 54.79 50.34 3hjj n ASP 92 Cb 0.46 -1.05 0.10 0.00 -1.35 0.00 0.00 41.12 39.28 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 2.31 1.28 -1.27 2.12 -1.51 -1.91 -3.41 116.25 113.85 3hjj h VAL 93 Ca 0.48 -1.38 -0.52 0.00 -1.23 0.00 0.00 66.70 64.04 3hjj h VAL 93 Cb 0.33 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 30.75 3hjj h VAL 93 CO 1.14 0.45 -0.36 0.00 -1.23 0.00 0.00 177.57 177.57 3hjj n GLU 95 N -1.59 1.93 -4.05 0.00 2.13 -1.26 -4.83 120.64 112.97 3hjj n GLU 95 Ca 0.02 0.68 -0.32 0.00 0.66 0.00 0.00 57.16 58.21 3hjj n GLU 95 Cb 0.63 -2.31 -0.15 0.00 0.27 0.00 0.00 31.44 29.88 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 -0.20 2.15 -0.23 6.31 1.01 0.15 -1.47 120.40 128.12 3hjj s VAL 96 Ca 0.67 -1.80 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 3hjj s VAL 96 Cb -0.66 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3hjj s VAL 96 CO 0.51 -0.19 0.07 -0.60 0.00 0.00 0.00 175.10 174.89 3hjj s ARG 97 N 1.07 3.74 -0.06 2.72 6.06 -0.35 -1.06 118.95 131.08 3hjj s ARG 97 Ca -0.03 -0.44 0.04 0.00 -2.50 0.00 0.00 55.73 52.80 3hjj s ARG 97 Cb -0.20 -3.29 -0.00 0.00 0.06 0.00 0.00 34.95 31.52 3hjj s ARG 97 CO -0.06 -0.06 -0.19 0.42 -2.50 0.00 0.00 175.30 172.91 3hjj s ILE 98 N 1.27 1.62 0.00 4.11 1.01 0.96 0.03 121.20 130.19 3hjj s ILE 98 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3hjj s ILE 98 Cb -0.15 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3hjj s ILE 98 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3hjj n GLY 99 N 3.21 -0.77 3.86 6.18 0.00 -0.17 -0.91 105.19 116.58 3hjj n GLY 99 Ca -0.19 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 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 6.71 -1.46 1.61 1.01 -1.26 -1.82 116.67 120.33 3hjj s ASP 100 Ca 0.00 1.16 -0.08 0.00 0.71 0.00 0.00 52.55 54.34 3hjj s ASP 100 Cb 0.00 -2.33 0.04 0.00 1.01 0.00 0.00 42.92 41.64 3hjj s ASP 100 CO 0.00 -0.19 0.70 1.41 0.21 0.00 0.00 175.17 177.31 3hjj n HIS 101 N -0.39 -2.08 -1.99 4.23 8.25 0.18 -0.51 115.22 122.91 3hjj n HIS 101 Ca 0.03 0.62 -0.08 0.00 -0.26 0.00 0.00 57.72 58.03 3hjj n HIS 101 Cb 0.53 -4.06 0.05 0.00 1.12 0.00 0.00 29.99 27.63 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 -1.17 -0.85 0.97 0.00 0.40 0.79 -1.73 117.98 116.39 3hjj s PHE 104 Ca 0.21 1.63 -0.16 0.00 -0.60 0.00 0.00 56.93 58.01 3hjj s PHE 104 Cb -0.01 0.51 0.23 0.00 0.51 0.00 0.00 43.02 44.26 3hjj s PHE 104 CO 0.15 -0.42 1.06 0.00 0.70 0.00 0.00 175.22 176.71 3hjj n ALA 105 N 4.32 -2.18 -1.76 5.36 0.00 -0.09 -0.38 120.51 125.78 3hjj n ALA 105 Ca -0.17 -1.47 -0.38 0.00 0.00 0.00 0.00 53.44 51.42 3hjj n ALA 105 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -5.36 3.68 -0.33 0.00 0.02 -1.26 -3.50 135.00 128.24 3hjj s PRO 106 Ca 0.64 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3hjj s PRO 106 Cb -0.04 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3hjj s PRO 106 CO 0.47 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3hjj n GLY 107 N 0.59 0.61 3.73 0.52 0.00 0.26 -0.73 105.19 110.17 3hjj n GLY 107 Ca 0.07 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.98 3.09 -0.11 1.61 1.01 -1.23 -3.80 120.40 118.99 3hjj s VAL 108 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.85 3hjj s VAL 108 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hjj s VAL 108 CO 0.00 0.10 -0.20 -1.00 0.00 0.00 0.00 175.10 174.01 3hjj s HIS 109 N 0.49 2.66 -0.23 5.22 3.76 -0.58 -1.86 115.29 124.76 3hjj s HIS 109 Ca 0.61 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 3hjj s HIS 109 Cb -0.38 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3hjj s HIS 109 CO 0.36 -0.34 -0.05 0.42 -0.85 0.00 0.00 174.74 174.28 3hjj s ILE 110 N 0.34 3.21 -0.16 0.60 -1.09 -0.38 -0.87 121.20 122.85 3hjj s ILE 110 Ca -0.16 -0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 3hjj s ILE 110 Cb -0.17 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 3hjj s ILE 110 CO 0.08 0.38 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.83 3hjj s TYR 111 N 1.44 3.07 -0.18 3.97 2.02 -0.11 -1.07 117.35 126.49 3hjj s TYR 111 Ca 0.05 -0.21 0.13 0.00 -0.37 0.00 0.00 57.07 56.67 3hjj s TYR 111 Cb -0.15 -1.98 -0.19 0.00 -0.40 0.00 0.00 41.96 39.25 3hjj s TYR 111 CO -0.04 0.02 0.36 0.25 -1.57 0.00 0.00 175.55 174.57 3hjj n THR 112 N 3.49 0.00 -2.65 -0.71 -2.24 -0.65 -1.71 114.28 109.82 3hjj n THR 112 Ca -0.17 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 60.94 3hjj n THR 112 Cb 0.52 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.75 3.30 0.28 6.98 0.00 -1.26 -1.02 121.76 127.30 3hjj s ALA 113 Ca -0.02 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 3hjj s ALA 113 Cb 0.09 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3hjj s ALA 113 CO 0.55 0.04 0.44 -2.37 0.00 0.00 0.00 175.76 174.43 3hjj n THR 114 N 1.01 0.00 -3.92 0.00 5.66 0.21 -4.83 114.28 112.41 3hjj n THR 114 Ca -0.00 -1.22 -0.09 0.00 -3.05 0.00 0.00 64.05 59.68 3hjj n THR 114 Cb 0.47 0.83 -0.09 0.00 -1.55 0.00 0.00 70.33 70.00 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 -3.48 0.22 0.55 1.09 3.76 -1.26 -2.92 115.29 113.24 3hjj s HIS 115 Ca 0.20 -0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 54.31 3hjj s HIS 115 Cb -0.02 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.48 3hjj s HIS 115 CO 0.14 -0.42 1.36 -2.30 -0.85 0.00 0.00 174.74 172.67 3hjj n PRO 116 N 0.44 1.68 0.22 8.40 -0.02 -1.26 -4.94 135.00 139.52 3hjj n PRO 116 Ca -0.17 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3hjj n PRO 116 Cb 0.60 -2.57 0.38 0.00 -0.02 0.00 0.00 33.50 31.89 3hjj n PRO 116 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hjj h LEU 117 N 1.41 0.00 -9.57 2.45 3.38 -2.01 -3.41 115.31 107.56 3hjj h LEU 117 Ca -0.51 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 3hjj h LEU 117 Cb 1.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 3hjj h LEU 117 CO 0.57 0.15 -0.13 -1.00 0.09 0.00 0.00 178.44 178.12 3hjj s HIS 118 N -3.44 3.68 0.15 1.13 3.76 -1.26 -4.99 115.29 114.31 3hjj s HIS 118 Ca 0.03 1.05 -0.17 0.00 -0.15 0.00 0.00 55.06 55.82 3hjj s HIS 118 Cb 0.08 -2.44 0.01 0.00 1.11 0.00 0.00 32.58 31.34 3hjj s HIS 118 CO 0.64 0.47 1.79 -1.35 -0.85 0.00 0.00 174.74 175.44 3hjj h PRO 119 N 5.32 0.40 -0.15 8.40 0.11 -1.98 -0.54 132.00 143.54 3hjj h PRO 119 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hjj h PRO 119 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hjj h PRO 119 CO 0.67 0.26 0.09 0.28 -0.21 0.00 0.00 178.00 179.09 3hjj h VAL 120 N 0.41 1.08 -0.51 3.15 2.07 -1.96 0.12 116.25 120.60 3hjj h VAL 120 Ca 0.14 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3hjj h VAL 120 Cb 0.01 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3hjj h VAL 120 CO -0.07 0.08 0.14 -0.33 0.02 0.00 0.00 177.57 177.41 3hjj h GLU 121 N 0.16 0.81 -0.42 1.57 3.07 -1.92 -2.77 114.58 115.08 3hjj h GLU 121 Ca 0.05 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3hjj h GLU 121 Cb 0.05 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 3hjj h GLU 121 CO -0.01 0.77 0.12 -0.09 -1.40 0.00 0.00 179.01 178.40 3hjj h ARG 122 N 0.71 0.61 -0.23 2.33 2.43 -0.78 -2.57 114.38 116.89 3hjj h ARG 122 Ca 0.16 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hjj h ARG 122 Cb 0.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hjj h ARG 122 CO -0.00 0.55 0.00 0.09 -1.51 0.00 0.00 179.97 179.10 3hjj n ASN 123 N -4.33 1.50 -0.16 -3.80 3.02 0.38 -4.32 115.26 107.54 3hjj n ASN 123 Ca 0.03 -1.86 0.15 0.00 -0.03 0.00 0.00 54.58 52.88 3hjj n ASN 123 Cb 0.18 -0.15 0.81 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.27 0.49 0.00 6.41 3.41 -0.97 -4.87 113.62 118.36 3hjj n SER 124 Ca 0.12 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 3hjj n SER 124 Cb 0.26 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.06 0.77 3.44 5.00 0.00 -1.26 -5.03 105.19 109.16 3hjj n GLY 125 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.17 1.65 0.10 1.61 1.02 -1.26 -2.54 119.74 120.14 3hjj s LYS 126 Ca 0.00 -1.23 -0.00 0.00 0.02 0.00 0.00 55.97 54.75 3hjj s LYS 126 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3hjj s LYS 126 CO 0.00 0.47 0.13 -0.85 -0.92 0.00 0.00 175.35 174.18 3hjj n GLU 127 N 0.93 0.19 -3.95 1.68 0.28 -0.63 -4.79 120.64 114.34 3hjj n GLU 127 Ca -0.17 -0.78 -0.12 0.00 -0.16 0.00 0.00 57.16 55.94 3hjj n GLU 127 Cb 0.53 0.74 -0.01 0.00 1.43 0.00 0.00 31.44 34.13 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 -4.24 0.57 0.23 -1.84 -0.85 -1.15 -0.97 117.35 109.10 3hjj s TYR 128 Ca 0.08 -1.02 -0.04 0.00 -0.52 0.00 0.00 57.07 55.57 3hjj s TYR 128 Cb -0.00 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 3hjj s TYR 128 CO 0.06 -1.34 0.27 0.20 -1.52 0.00 0.00 175.55 173.21 3hjj s GLY 129 N -3.15 1.24 -0.03 5.49 0.00 -1.26 -0.62 107.32 109.00 3hjj s GLY 129 Ca 0.23 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.48 3hjj s GLY 129 CO 0.16 -1.15 -0.04 0.54 0.00 0.00 0.00 173.10 172.60 3hjj s LYS 130 N -3.99 0.65 0.79 2.90 1.02 -0.19 -4.42 119.74 116.49 3hjj s LYS 130 Ca 0.34 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 56.09 3hjj s LYS 130 Cb 0.04 -0.67 0.07 0.00 -0.52 0.00 0.00 37.83 36.75 3hjj s LYS 130 CO 0.13 -0.03 1.17 -1.25 -0.92 0.00 0.00 175.35 174.45 3hjj s PRO 131 N 0.63 1.85 -0.03 -1.68 0.04 -1.26 -2.74 135.00 131.80 3hjj s PRO 131 Ca -0.08 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.64 3hjj s PRO 131 Cb -0.11 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3hjj s PRO 131 CO -0.00 -2.03 -0.23 0.08 0.04 0.00 0.00 177.00 174.86 3hjj s VAL 132 N -2.30 1.83 -0.06 -0.36 1.01 -0.54 -2.24 120.40 117.74 3hjj s VAL 132 Ca 0.70 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3hjj s VAL 132 Cb -0.26 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3hjj s VAL 132 CO 0.50 0.52 -0.12 -0.75 0.00 0.00 0.00 175.10 175.24 3hjj s LYS 133 N -0.36 1.60 -0.06 2.72 2.20 -0.88 -1.21 119.74 123.75 3hjj s LYS 133 Ca 0.04 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 3hjj s LYS 133 Cb -0.11 -1.35 0.01 0.00 -1.51 0.00 0.00 37.83 34.87 3hjj s LYS 133 CO 0.01 0.07 -0.15 0.42 -0.36 0.00 0.00 175.35 175.34 3hjj s ILE 134 N 0.50 1.30 0.00 5.43 1.01 0.10 -0.55 121.20 129.00 3hjj s ILE 134 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3hjj s ILE 134 Cb -0.14 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3hjj s ILE 134 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3hjj n GLY 135 N 3.53 -0.05 3.88 6.18 0.00 0.23 -1.00 105.19 117.96 3hjj n GLY 135 Ca -0.21 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.02 6.58 -1.54 1.61 0.01 -1.26 -2.52 114.94 116.79 3hjj s ASN 136 Ca 0.00 0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 53.05 3hjj s ASN 136 Cb 0.00 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.44 3hjj s ASN 136 CO 0.00 -0.15 0.22 0.59 -1.51 0.00 0.00 177.10 176.25 3hjj n ASN 137 N -0.50 -5.43 -4.71 -1.22 3.02 0.33 -0.42 115.26 106.33 3hjj n ASN 137 Ca 0.00 -0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 3hjj n ASN 137 Cb 0.53 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.00 4.99 -0.34 2.41 1.01 -1.26 -3.82 120.40 120.40 3hjj s VAL 138 Ca 0.12 1.61 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 3hjj s VAL 138 Cb -0.06 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hjj s VAL 138 CO 0.15 0.21 0.10 0.86 0.00 0.00 0.00 175.10 176.42 3hjj s TRP 139 N 0.96 3.26 -0.28 5.22 -0.00 -0.97 -4.40 118.94 122.73 3hjj s TRP 139 Ca 0.41 -1.47 -0.13 0.00 -0.00 0.00 0.00 56.10 54.91 3hjj s TRP 139 Cb -0.18 -2.28 -0.04 0.00 -0.00 0.00 0.00 33.47 30.96 3hjj s TRP 139 CO 0.20 -0.74 0.29 0.08 -0.00 0.00 0.00 176.95 176.78 3hjj s VAL 140 N 1.39 5.23 0.84 5.86 1.01 -1.26 -0.73 120.40 132.74 3hjj s VAL 140 Ca -0.02 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3hjj s VAL 140 Cb -0.20 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.64 3hjj s VAL 140 CO 0.02 0.16 1.14 -0.83 0.00 0.00 0.00 175.10 175.60 3hjj s GLY 141 N 1.70 1.59 0.28 4.51 0.00 0.11 -0.91 107.32 114.60 3hjj s GLY 141 Ca 0.11 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 3hjj s GLY 141 CO 0.11 -0.00 1.60 0.61 0.00 0.00 0.00 173.10 175.41 3hjj n GLY 142 N -2.63 1.32 2.96 0.20 0.00 -1.26 -2.52 105.19 103.26 3hjj n GLY 142 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 2.40 0.59 3.75 -0.02 0.00 0.09 -0.16 105.19 111.84 3hjj n GLY 143 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.65 2.45 -0.15 4.61 0.00 -1.05 -4.37 121.76 120.60 3hjj s ALA 144 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3hjj s ALA 144 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3hjj s ALA 144 CO 0.00 -1.29 -0.21 0.42 0.00 0.00 0.00 175.76 174.68 3hjj s ILE 145 N -1.89 2.05 -0.32 0.00 1.01 -0.25 -1.53 121.20 120.27 3hjj s ILE 145 Ca 0.73 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 3hjj s ILE 145 Cb -0.27 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3hjj s ILE 145 CO 0.37 0.54 0.13 -0.63 0.00 0.00 0.00 174.94 175.35 3hjj s ILE 146 N 0.97 4.28 0.69 2.92 -1.09 -0.05 -0.02 121.20 128.91 3hjj s ILE 146 Ca -0.03 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.63 3hjj s ILE 146 Cb -0.15 -3.25 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 3hjj s ILE 146 CO -0.06 -0.00 1.05 0.20 -1.23 0.00 0.00 174.94 174.90 3hjj s ASN 147 N 1.54 5.26 0.47 3.58 0.01 -0.69 -0.94 114.94 124.17 3hjj s ASN 147 Ca 0.03 0.89 -0.25 0.00 -0.71 0.00 0.00 52.86 52.82 3hjj s ASN 147 Cb -0.18 -1.67 -0.08 0.00 0.41 0.00 0.00 41.25 39.74 3hjj s ASN 147 CO 0.05 -1.39 1.39 -2.84 -1.51 0.00 0.00 177.10 172.80 3hjj s PRO 148 N -5.29 3.60 0.00 -0.60 0.02 -0.69 -2.87 135.00 129.16 3hjj s PRO 148 Ca 0.58 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.94 3hjj s PRO 148 Cb -0.11 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3hjj s PRO 148 CO 0.49 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 3hjj n GLY 149 N 0.62 1.47 3.75 0.52 0.00 -0.95 -4.93 105.19 105.67 3hjj n GLY 149 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.16 3.94 -0.06 1.61 1.01 -1.14 -4.90 120.40 117.70 3hjj s VAL 150 Ca 0.00 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.96 3hjj s VAL 150 Cb 0.00 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 3hjj s VAL 150 CO 0.00 0.45 -0.18 -0.44 0.00 0.00 0.00 175.10 174.93 3hjj s SER 151 N -1.04 3.64 -0.14 3.32 0.01 -1.26 -2.07 113.70 116.16 3hjj s SER 151 Ca 0.42 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.36 3hjj s SER 151 Cb -0.27 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.05 3hjj s SER 151 CO 0.34 0.29 -0.17 -0.63 0.41 0.00 0.00 173.24 173.48 3hjj s ILE 152 N -0.39 2.55 0.98 1.44 1.01 0.29 -0.51 121.20 126.57 3hjj s ILE 152 Ca 0.04 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 3hjj s ILE 152 Cb -0.12 -2.06 0.19 0.00 0.01 0.00 0.00 42.46 40.48 3hjj s ILE 152 CO 0.02 0.53 1.23 -0.83 0.00 0.00 0.00 174.94 175.88 3hjj s GLY 153 N 0.70 1.68 0.47 6.18 0.00 0.76 -0.60 107.32 116.51 3hjj s GLY 153 Ca -0.08 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.45 3hjj s GLY 153 CO 0.01 -0.24 1.31 0.99 0.00 0.00 0.00 173.10 175.18 3hjj s ASP 154 N -4.50 5.87 -0.31 1.64 -0.00 -1.26 -3.04 116.67 115.07 3hjj s ASP 154 Ca 0.70 2.66 0.00 0.00 -0.00 0.00 0.00 52.55 55.91 3hjj s ASP 154 Cb -0.08 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 3hjj s ASP 154 CO 0.53 -1.15 0.00 0.59 -0.00 0.00 0.00 175.17 175.14 3hjj n ASN 155 N -0.42 -5.53 -4.78 0.27 3.02 0.44 -0.87 115.26 107.39 3hjj n ASN 155 Ca 0.07 0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 3hjj n ASN 155 Cb 0.45 -3.29 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.38 2.88 -0.13 5.41 0.00 -1.17 -4.17 121.76 123.19 3hjj s ALA 156 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.78 3hjj s ALA 156 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3hjj s ALA 156 CO 0.00 -0.56 -0.18 0.08 0.00 0.00 0.00 175.76 175.10 3hjj s VAL 157 N -1.72 1.76 -0.30 0.00 1.01 0.07 -2.28 120.40 118.95 3hjj s VAL 157 Ca 0.66 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3hjj s VAL 157 Cb -0.24 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3hjj s VAL 157 CO 0.28 0.49 0.20 -0.63 0.00 0.00 0.00 175.10 175.44 3hjj s ILE 158 N 1.00 5.21 0.70 2.22 -1.09 0.09 -1.50 121.20 127.82 3hjj s ILE 158 Ca -0.05 -0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.20 3hjj s ILE 158 Cb -0.15 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 3hjj s ILE 158 CO -0.04 0.15 1.18 0.00 -1.23 0.00 0.00 174.94 175.01 3hjj s ALA 159 N 1.73 2.24 0.38 9.38 0.00 -0.03 0.07 121.76 135.53 3hjj s ALA 159 Ca 0.07 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 3hjj s ALA 159 Cb -0.16 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 3hjj s ALA 159 CO 0.10 -1.67 1.35 -1.13 0.00 0.00 0.00 175.76 174.41 3hjj n SER 160 N -2.55 3.04 0.00 0.00 3.41 -1.26 -2.14 113.62 114.11 3hjj n SER 160 Ca 0.13 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 3hjj n SER 160 Cb 0.51 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 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 0.68 0.85 3.77 5.00 0.00 0.78 -4.83 105.19 111.43 3hjj n GLY 161 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.51 3.18 -0.35 4.61 0.00 -0.91 -4.73 121.76 120.05 3hjj s ALA 162 Ca 0.00 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 3hjj s ALA 162 Cb 0.00 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.77 3hjj s ALA 162 CO 0.00 -0.65 0.09 0.08 0.00 0.00 0.00 175.76 175.28 3hjj s VAL 163 N -1.35 3.13 -0.41 0.00 1.01 -0.60 -1.09 120.40 121.09 3hjj s VAL 163 Ca 0.57 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 3hjj s VAL 163 Cb -0.33 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3hjj s VAL 163 CO 0.42 -0.38 0.54 -0.69 0.00 0.00 0.00 175.10 175.00 3hjj s VAL 164 N 1.20 4.96 -0.26 2.92 1.01 0.98 -1.13 120.40 130.07 3hjj s VAL 164 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3hjj s VAL 164 Cb -0.21 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 3hjj s VAL 164 CO -0.02 -0.45 0.36 0.35 0.00 0.00 0.00 175.10 175.34 3hjj n THR 165 N 5.61 0.00 -4.26 3.92 -2.24 -1.26 -1.70 114.28 114.35 3hjj n THR 165 Ca -0.04 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 3hjj n THR 165 Cb 0.48 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.44 1.13 0.51 -0.78 1.02 -1.26 -4.90 119.74 113.02 3hjj s LYS 166 Ca -0.00 -1.54 -0.22 0.00 0.02 0.00 0.00 55.97 54.23 3hjj s LYS 166 Cb 0.08 -0.39 -0.08 0.00 -0.52 0.00 0.00 37.83 36.92 3hjj s LYS 166 CO 0.47 -0.09 1.03 -0.25 -0.92 0.00 0.00 175.35 175.59 3hjj n ASP 167 N -0.26 1.25 -4.32 2.83 8.00 -1.26 -4.76 116.55 118.04 3hjj n ASP 167 Ca -0.07 0.94 -0.34 0.00 0.71 0.00 0.00 54.79 56.03 3hjj n ASP 167 Cb 0.63 -1.40 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 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 3.09 0.94 2.53 1.01 0.33 -4.97 120.40 121.96 3hjj s VAL 168 Ca 0.69 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3hjj s VAL 168 Cb -0.48 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 33.70 3hjj s VAL 168 CO 0.53 0.48 1.09 -2.84 0.00 0.00 0.00 175.10 174.36 3hjj s PRO 169 N 0.96 0.89 0.61 2.72 0.02 -1.26 -0.17 135.00 138.77 3hjj s PRO 169 Ca -0.01 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.65 3hjj s PRO 169 Cb -0.15 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3hjj s PRO 169 CO -0.01 -2.49 0.85 0.09 -0.33 0.00 0.00 177.00 175.11 3hjj n ASN 170 N -4.06 0.28 -3.80 2.53 3.02 -1.26 -4.02 115.26 107.95 3hjj n ASN 170 Ca 0.07 0.77 -0.29 0.00 -0.03 0.00 0.00 54.58 55.10 3hjj n ASN 170 Cb 0.55 -1.34 0.04 0.00 -0.61 0.00 0.00 39.78 38.42 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 -0.58 -5.16 -4.32 6.41 3.02 -0.04 -4.89 115.26 109.69 3hjj n ASN 171 Ca 0.13 -0.70 -0.17 0.00 -0.03 0.00 0.00 54.58 53.81 3hjj n ASN 171 Cb 0.48 -4.11 -0.10 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.28 1.51 -0.19 2.41 -7.23 -1.26 -0.46 120.40 111.90 3hjj s VAL 172 Ca 0.63 -2.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.58 3hjj s VAL 172 Cb -0.31 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3hjj s VAL 172 CO 0.78 -0.60 0.08 -0.69 -0.31 0.00 0.00 175.10 174.36 3hjj s VAL 173 N -3.11 4.91 0.10 1.32 1.01 0.02 -0.75 120.40 123.89 3hjj s VAL 173 Ca 0.22 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.29 3hjj s VAL 173 Cb 0.01 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3hjj s VAL 173 CO 0.05 0.45 -0.19 0.68 0.00 0.00 0.00 175.10 176.10 3hjj s VAL 174 N 0.39 2.76 0.12 2.92 -7.23 -0.56 -0.33 120.40 118.47 3hjj s VAL 174 Ca 0.04 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 3hjj s VAL 174 Cb -0.12 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.61 3hjj s VAL 174 CO -0.00 0.17 0.37 -0.83 -0.31 0.00 0.00 175.10 174.50 3hjj s GLY 175 N -1.94 -0.21 0.00 2.32 0.00 -0.49 -0.85 107.32 106.16 3hjj s GLY 175 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3hjj s GLY 175 CO 0.08 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.41 3hjj n GLY 176 N -0.21 0.63 2.78 0.20 0.00 -1.26 -0.91 105.19 106.42 3hjj n GLY 176 Ca -0.16 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.13 3.92 0.56 1.61 3.04 -1.26 -1.55 114.94 121.13 3hjj s ASN 177 Ca 0.00 -1.52 -0.15 0.00 0.04 0.00 0.00 52.86 51.23 3hjj s ASN 177 Cb 0.00 -0.94 -0.06 0.00 -1.54 0.00 0.00 41.25 38.71 3hjj s ASN 177 CO 0.00 -0.38 1.01 -2.84 -3.04 0.00 0.00 177.10 171.86 3hjj s PRO 178 N 1.56 3.70 0.29 0.43 0.02 -1.26 -5.02 135.00 134.71 3hjj s PRO 178 Ca 0.07 0.99 -0.29 0.00 0.02 0.00 0.00 61.00 61.78 3hjj s PRO 178 Cb -0.18 -2.10 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 3hjj s PRO 178 CO -0.19 -0.48 1.36 0.00 -0.33 0.00 0.00 177.00 177.36 3hjj s ALA 179 N -2.67 3.55 0.08 -1.55 0.00 -0.29 -4.90 121.76 115.98 3hjj s ALA 179 Ca 0.59 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3hjj s ALA 179 Cb -0.12 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3hjj s ALA 179 CO 0.37 -0.68 -0.10 -1.59 0.00 0.00 0.00 175.76 173.76 3hjj s LYS 180 N -1.08 0.77 0.14 0.00 -2.85 -0.09 -4.85 119.74 111.79 3hjj s LYS 180 Ca 0.54 -1.06 -0.32 0.00 -1.00 0.00 0.00 55.97 54.13 3hjj s LYS 180 Cb -0.40 -0.48 -0.11 0.00 -2.06 0.00 0.00 37.83 34.78 3hjj s LYS 180 CO 0.48 0.08 1.81 0.28 0.10 0.00 0.00 175.35 178.09 3hjj n VAL 181 N 0.79 0.27 0.06 1.79 0.31 -1.26 -1.40 118.33 118.90 3hjj n VAL 181 Ca -0.18 -0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.11 3hjj n VAL 181 Cb 0.57 -2.07 0.02 0.00 -0.91 0.00 0.00 33.84 31.44 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 4.50 0.28 0.00 2.52 -5.35 0.55 -4.91 119.36 116.95 3hjj n ILE 182 Ca 0.18 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3hjj n ILE 182 Cb 0.36 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3hjj n ILE 182 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3hjj n LYS 183 N 0.02 0.00 -3.95 6.28 4.81 -1.18 -4.96 118.16 119.17 3hjj n LYS 183 Ca 0.02 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.09 3hjj n LYS 183 Cb 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.11 3hjj n LYS 183 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hjj s THR 184 N -1.41 5.33 -0.31 3.15 2.01 -1.26 -0.80 115.64 122.35 3hjj s THR 184 Ca 0.00 0.14 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3hjj s THR 184 Cb 0.00 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3hjj s THR 184 CO 0.00 0.61 0.17 -0.63 -0.69 0.00 0.00 174.62 174.08 3hjj s ILE 185 N -0.95 4.80 -0.31 1.82 1.01 0.39 -4.93 121.20 123.03 3hjj s ILE 185 Ca 0.14 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.22 3hjj s ILE 185 Cb -0.12 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.94 3hjj s ILE 185 CO 0.04 0.08 0.96 -1.61 0.00 0.00 0.00 174.94 174.41 3hjj s GLU 186 N 1.65 4.03 0.00 2.79 8.01 -1.26 -4.85 118.70 129.08 3hjj s GLU 186 Ca 0.05 0.90 0.00 0.00 0.01 0.00 0.00 54.97 55.93 3hjj s GLU 186 Cb -0.17 -3.73 0.00 0.00 -4.31 0.00 0.00 34.13 25.92 3hjj s GLU 186 CO 0.07 -0.80 0.00 0.39 0.01 0.00 0.00 175.26 174.93