#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hek n ALA -4 N 0.00 1.54 0.00 0.00 0.00 -1.26 -4.93 120.51 115.87 1hek n ALA -4 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1hek n ALA -4 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1hek n ALA -4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hek n ASP -3 N -3.55 0.00 -4.22 0.00 -0.08 -1.26 -5.16 116.55 102.27 1hek n ASP -3 Ca 0.36 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.31 1hek n ASP -3 Cb 1.66 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 44.96 1hek n ASP -3 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1hek s ILE -2 N 0.00 2.61 0.00 5.18 -1.09 -1.26 -5.00 121.20 121.65 1hek s ILE -2 Ca 0.00 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1hek s ILE -2 Cb 0.00 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1hek s ILE -2 CO 0.00 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1hek n GLY -1 N 4.48 0.63 1.85 6.18 0.00 -1.26 -4.73 105.19 112.34 1hek n GLY -1 Ca -0.20 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1hek n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hek n SER 0 N 0.00 0.55 0.00 1.61 7.64 -1.26 -5.23 113.62 116.93 1hek n SER 0 Ca 0.00 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1hek n SER 0 Cb 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1hek n SER 0 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hek n GLY 2 N 1.27 -0.45 3.21 0.23 0.00 -1.26 -5.14 105.19 103.05 1hek n GLY 2 Ca 0.08 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1hek n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hek s ASP 3 N -4.00 -0.22 0.00 1.61 1.11 -1.26 -4.86 116.67 109.05 1hek s ASP 3 Ca 0.00 0.88 0.00 0.00 0.18 0.00 0.00 52.55 53.61 1hek s ASP 3 Cb 0.00 1.04 0.00 0.00 1.07 0.00 0.00 42.92 45.03 1hek s ASP 3 CO 0.00 -0.22 0.32 -2.65 1.18 0.00 0.00 175.17 173.80 1hek n PRO 4 N 5.03 0.00 -3.07 8.23 -0.02 -1.26 -4.74 135.00 139.18 1hek n PRO 4 Ca -0.13 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1hek n PRO 4 Cb 0.51 -0.82 -0.05 0.00 -0.02 0.00 0.00 33.50 33.13 1hek n PRO 4 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hek s LEU 5 N -0.97 4.27 0.73 2.45 1.02 -1.11 -5.04 118.68 120.04 1hek s LEU 5 Ca 0.00 1.10 -0.15 0.00 0.02 0.00 0.00 54.13 55.10 1hek s LEU 5 Cb 0.00 -3.03 0.04 0.00 0.02 0.00 0.00 46.19 43.22 1hek s LEU 5 CO 0.00 -0.15 1.22 -0.89 0.02 0.00 0.00 176.35 176.54 1hek s THR 6 N 1.07 2.24 0.43 5.49 2.01 -1.26 -4.70 115.64 120.92 1hek s THR 6 Ca 0.35 0.12 0.13 0.00 0.31 0.00 0.00 61.69 62.60 1hek s THR 6 Cb -0.17 -2.71 0.32 0.00 0.01 0.00 0.00 72.50 69.95 1hek s THR 6 CO 0.16 -0.06 1.98 -0.25 -0.69 0.00 0.00 174.62 175.75 1hek h TRP 7 N -0.30 0.46 0.23 4.92 7.01 -1.87 0.11 115.95 126.51 1hek h TRP 7 Ca -0.48 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1hek h TRP 7 Cb 1.30 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.19 1hek h TRP 7 CO 0.46 0.22 -0.22 0.77 -2.79 0.00 0.00 178.44 176.89 1hek h SER 8 N 0.44 -0.57 0.26 2.65 0.02 -1.89 -1.43 113.55 113.03 1hek h SER 8 Ca 0.27 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1hek h SER 8 Cb 0.50 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1hek h SER 8 CO -0.08 -0.32 -0.18 0.11 -1.14 0.00 0.00 176.83 175.22 1hek h LYS 9 N -0.48 0.00 0.09 3.45 6.56 -1.49 -3.01 116.57 121.70 1hek h LYS 9 Ca -0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1hek h LYS 9 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 1hek h LYS 9 CO -0.04 0.18 -0.04 0.00 -2.06 0.00 0.00 179.45 177.48 1hek h ALA 10 N 1.82 -0.12 -0.33 3.86 0.00 -0.13 -3.07 119.26 121.29 1hek h ALA 10 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1hek h ALA 10 Cb 0.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1hek h ALA 10 CO 0.02 -0.31 0.19 -0.07 0.00 0.00 0.00 179.25 179.08 1hek h LEU 11 N -0.64 0.31 -1.61 0.00 3.38 -1.28 1.64 115.31 117.11 1hek h LEU 11 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1hek h LEU 11 Cb 0.51 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1hek h LEU 11 CO 0.02 0.23 0.61 0.50 0.09 0.00 0.00 178.44 179.88 1hek h LYS 12 N 0.39 0.00 0.00 1.13 3.11 -1.57 1.10 116.57 120.73 1hek h LYS 12 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1hek h LYS 12 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1hek h LYS 12 CO -0.06 0.00 -1.17 1.63 -2.81 0.00 0.00 179.45 177.04 1hek n LYS 13 N -3.26 1.36 0.18 1.90 5.02 0.16 -4.37 118.16 119.16 1hek n LYS 13 Ca 0.07 -0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1hek n LYS 13 Cb 0.75 -1.26 0.39 0.00 -0.02 0.00 0.00 35.03 34.88 1hek n LYS 13 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1hek h LEU 14 N 0.00 0.04 0.00 -0.35 3.38 1.10 -3.29 115.31 116.18 1hek h LEU 14 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hek h LEU 14 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1hek h LEU 14 CO 0.00 0.34 0.00 -0.62 0.09 0.00 0.00 178.44 178.25 1hek n GLU 15 N -4.17 0.00 0.01 1.13 4.71 -0.91 -2.27 120.64 119.14 1hek n GLU 15 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1hek n GLU 15 Cb 0.35 -0.70 0.00 0.00 -1.01 0.00 0.00 31.44 30.08 1hek n GLU 15 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1hek n LYS 16 N -0.35 0.00 -2.35 3.49 5.02 -1.24 -3.55 118.16 119.19 1hek n LYS 16 Ca 0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1hek n LYS 16 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.90 1hek n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hek s VAL 17 N -1.26 3.70 0.66 -0.18 1.01 -0.96 -4.96 120.40 118.41 1hek s VAL 17 Ca -0.00 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 1hek s VAL 17 Cb 0.00 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1hek s VAL 17 CO 0.00 -1.23 1.26 0.42 0.00 0.00 0.00 175.10 175.56 1hek s THR 18 N 6.48 2.17 0.00 3.92 -4.23 -0.06 -1.58 115.64 122.35 1hek s THR 18 Ca 0.52 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1hek s THR 18 Cb -0.11 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1hek s THR 18 CO 0.23 -0.03 0.00 0.52 -0.54 0.00 0.00 174.62 174.80 1hek n VAL 19 N -2.03 0.00 0.00 2.29 0.31 0.11 -1.05 118.33 117.97 1hek n VAL 19 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1hek n VAL 19 Cb 0.49 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1hek n VAL 19 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1hek n GLN 20 N -1.18 0.00 0.00 5.55 0.00 -1.23 -4.67 117.38 115.85 1hek n GLN 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1hek n GLN 20 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 30.24 30.00 1hek n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1hek n GLY 21 N 2.69 0.03 0.35 1.69 0.00 -1.26 -4.85 105.19 103.84 1hek n GLY 21 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1hek n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hek n SER 22 N -2.21 1.81 -4.77 1.61 2.88 -1.26 -4.99 113.62 106.69 1hek n SER 22 Ca 0.00 -1.43 -0.39 0.00 -1.33 0.00 0.00 58.87 55.72 1hek n SER 22 Cb 0.00 -0.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1hek n SER 22 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1hek s GLN 23 N -0.73 4.64 -0.04 -1.46 0.74 -1.26 -4.96 119.66 116.59 1hek s GLN 23 Ca 0.11 1.25 0.06 0.00 0.05 0.00 0.00 55.36 56.82 1hek s GLN 23 Cb 0.07 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 1hek s GLN 23 CO 0.10 0.54 -0.22 0.15 -0.55 0.00 0.00 175.29 175.32 1hek s LYS 24 N -1.22 2.37 0.28 1.67 1.02 -1.26 0.09 119.74 122.68 1hek s LYS 24 Ca 0.38 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 55.24 1hek s LYS 24 Cb -0.24 -2.19 -0.14 0.00 -0.52 0.00 0.00 37.83 34.75 1hek s LYS 24 CO 0.28 0.52 0.97 -0.11 -0.92 0.00 0.00 175.35 176.09 1hek n LEU 25 N 2.56 1.51 -4.53 3.17 7.94 -0.61 -4.86 117.00 122.18 1hek n LEU 25 Ca -0.17 1.17 -0.30 0.00 -1.11 0.00 0.00 56.01 55.61 1hek n LEU 25 Cb 0.52 -1.26 -0.11 0.00 0.53 0.00 0.00 43.42 43.10 1hek n LEU 25 CO 0.25 -1.54 -0.45 0.28 -1.11 0.00 0.00 177.39 174.81 1hek s THR 26 N -1.02 3.14 0.28 1.96 -1.32 -1.26 -4.04 115.64 113.38 1hek s THR 26 Ca 0.60 -1.27 -0.06 0.00 -1.21 0.00 0.00 61.69 59.74 1hek s THR 26 Cb -0.73 -2.42 0.42 0.00 -1.51 0.00 0.00 72.50 68.26 1hek s THR 26 CO 0.59 0.18 1.57 0.74 -2.21 0.00 0.00 174.62 175.49 1hek h THR 27 N 3.52 0.05 -0.04 5.08 2.02 -1.93 0.17 112.91 121.78 1hek h THR 27 Ca -0.49 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.70 1hek h THR 27 Cb 1.16 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1hek h THR 27 CO 0.50 0.00 -0.33 1.23 0.37 0.00 0.00 175.52 177.29 1hek h GLY 28 N 0.01 -1.26 -0.73 2.16 0.00 -1.99 -2.35 103.07 98.92 1hek h GLY 28 Ca 0.49 0.66 0.15 0.00 0.00 0.00 0.00 47.33 48.63 1hek h GLY 28 CO -0.95 -0.35 -0.16 0.70 0.00 0.00 0.00 176.54 175.78 1hek n ASN 29 N -4.30 -0.24 0.00 0.19 5.03 0.57 0.31 115.26 116.82 1hek n ASN 29 Ca -0.04 1.26 -0.13 0.00 0.87 0.00 0.00 54.58 56.54 1hek n ASN 29 Cb 0.24 -0.39 -0.09 0.00 -1.02 0.00 0.00 39.78 38.52 1hek n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1hek h ASN 31 N -0.30 0.00 0.08 0.00 2.35 0.38 0.48 115.58 118.58 1hek h ASN 31 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hek h ASN 31 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1hek h ASN 31 CO 0.00 0.00 -0.04 -0.25 -1.65 0.00 0.00 177.43 175.49 1hek h TRP 32 N 0.00 -0.10 0.03 1.19 7.01 0.01 -3.06 115.95 121.02 1hek h TRP 32 Ca 0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1hek h TRP 32 Cb 0.15 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1hek h TRP 32 CO 0.00 0.25 -0.24 0.00 -2.79 0.00 0.00 178.44 175.66 1hek h ALA 33 N -0.63 -0.34 0.00 2.65 0.00 0.15 0.48 119.26 121.56 1hek h ALA 33 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hek h ALA 33 Cb 0.40 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1hek h ALA 33 CO 0.02 -0.75 0.00 -0.11 0.00 0.00 0.00 179.25 178.41 1hek n LEU 34 N -5.36 0.00 -0.11 0.00 7.94 0.15 -2.61 117.00 117.00 1hek n LEU 34 Ca -0.05 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.63 1hek n LEU 34 Cb 0.28 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.13 1hek n LEU 34 CO 0.23 0.00 -0.84 -0.24 -1.11 0.00 0.00 177.39 175.43 1hek n SER 35 N -0.74 1.89 -0.23 1.96 2.88 0.16 -3.66 113.62 115.89 1hek n SER 35 Ca 0.05 0.41 0.14 0.00 -1.33 0.00 0.00 58.87 58.14 1hek n SER 35 Cb 0.02 -0.89 0.44 0.00 -0.75 0.00 0.00 64.21 63.03 1hek n SER 35 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1hek h LEU 36 N -1.00 0.53 -0.11 2.46 4.07 -1.23 0.88 115.31 120.91 1hek h LEU 36 Ca -0.42 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 1hek h LEU 36 Cb 1.32 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 1hek h LEU 36 CO -0.25 0.26 0.03 -0.37 -1.08 0.00 0.00 178.44 177.03 1hek h VAL 37 N 0.55 1.20 -0.76 1.22 -1.51 -1.74 0.51 116.25 115.72 1hek h VAL 37 Ca 0.42 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 1hek h VAL 37 Cb 0.82 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.34 1hek h VAL 37 CO -0.17 0.18 0.35 -0.78 -1.23 0.00 0.00 177.57 175.91 1hek h ASP 38 N -0.03 0.99 0.00 4.19 1.82 -1.31 -2.21 116.42 119.88 1hek h ASP 38 Ca 0.03 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1hek h ASP 38 Cb 0.25 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1hek h ASP 38 CO 0.00 0.85 0.00 -0.11 -1.61 0.00 0.00 179.24 178.37 1hek n LEU 39 N -4.31 0.16 0.00 2.28 0.00 0.18 -0.76 117.00 114.55 1hek n LEU 39 Ca 0.07 0.77 0.00 0.00 0.00 0.00 0.00 56.01 56.85 1hek n LEU 39 Cb 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.17 1hek n LEU 39 CO 0.39 -0.40 0.28 0.33 0.00 0.00 0.00 177.39 178.00 1hek n PHE 40 N -1.69 0.00 0.04 1.96 7.35 0.15 -1.21 117.46 124.06 1hek n PHE 40 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1hek n PHE 40 Cb 0.00 -0.07 0.09 0.00 0.35 0.00 0.00 39.48 39.85 1hek n PHE 40 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1hek n HIS 41 N -1.03 0.11 -2.68 -5.13 8.25 -0.83 -4.85 115.22 109.05 1hek n HIS 41 Ca 0.00 0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.48 1hek n HIS 41 Cb 0.00 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 1hek n HIS 41 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1hek n ASP 42 N -1.48 -3.42 0.00 0.41 -0.08 -0.35 -5.02 116.55 106.61 1hek n ASP 42 Ca -0.00 1.28 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1hek n ASP 42 Cb 0.22 -3.97 0.00 0.00 2.34 0.00 0.00 41.12 39.71 1hek n ASP 42 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1hek n THR 43 N 2.00 0.00 0.00 5.18 -2.24 0.06 -4.99 114.28 114.29 1hek n THR 43 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1hek n THR 43 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1hek n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hek n ASN 44 N 0.00 0.00 0.00 3.42 3.02 -1.26 -4.87 115.26 115.56 1hek n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1hek n ASN 44 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hek n ASN 44 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1hek n PHE 45 N -0.83 0.00 0.31 3.10 3.72 -1.26 0.27 117.46 122.77 1hek n PHE 45 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 1hek n PHE 45 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1hek n PHE 45 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1hek h VAL 46 N 0.00 0.00 0.00 -4.37 3.04 -1.95 2.94 116.25 115.91 1hek h VAL 46 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1hek h VAL 46 Cb 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 1hek h VAL 46 CO 0.00 0.00 -0.68 0.11 -1.01 0.00 0.00 177.57 175.99 1hek h LYS 47 N 0.00 0.00 -6.21 4.17 1.79 0.34 -3.46 116.57 113.19 1hek h LYS 47 Ca 0.02 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.00 1hek h LYS 47 Cb 1.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.62 1hek h LYS 47 CO -0.00 0.00 -0.39 -1.21 -1.08 0.00 0.00 179.45 176.77 1hek s GLU 48 N -3.20 3.46 0.04 3.15 2.02 0.98 -5.01 118.70 120.15 1hek s GLU 48 Ca 0.05 -0.62 0.27 0.00 0.02 0.00 0.00 54.97 54.69 1hek s GLU 48 Cb 0.13 -2.87 0.84 0.00 0.10 0.00 0.00 34.13 32.33 1hek s GLU 48 CO 0.73 0.41 1.67 1.17 0.02 0.00 0.00 175.26 179.26 1hek n LYS 49 N -1.20 0.08 -3.54 1.61 3.00 -1.26 -4.89 118.16 111.96 1hek n LYS 49 Ca -0.08 0.04 -0.09 0.00 -0.00 0.00 0.00 58.31 58.18 1hek n LYS 49 Cb 0.56 -1.57 -0.03 0.00 0.00 0.00 0.00 35.03 33.99 1hek n LYS 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1hek s ASP 50 N -3.38 -0.36 0.04 3.14 2.15 -1.26 -4.05 116.67 112.95 1hek s ASP 50 Ca 0.12 0.17 -0.00 0.00 0.43 0.00 0.00 52.55 53.26 1hek s ASP 50 Cb 0.17 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1hek s ASP 50 CO 0.62 -0.50 0.06 -2.67 -0.17 0.00 0.00 175.17 172.51 1hek n TRP 51 N 0.15 -0.51 -5.00 -5.34 4.27 -1.26 -5.02 117.44 104.73 1hek n TRP 51 Ca -0.09 -0.29 -0.29 0.00 -3.89 0.00 0.00 57.50 52.93 1hek n TRP 51 Cb 0.60 0.06 -0.17 0.00 -1.36 0.00 0.00 31.31 30.45 1hek n TRP 51 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 1hek s GLN 52 N -2.10 2.54 0.20 -2.67 1.11 -1.26 -4.79 119.66 112.68 1hek s GLN 52 Ca 0.04 -0.71 -0.20 0.00 0.01 0.00 0.00 55.36 54.49 1hek s GLN 52 Cb -0.00 -1.97 0.15 0.00 -1.01 0.00 0.00 33.01 30.18 1hek s GLN 52 CO 0.03 0.14 1.57 -0.07 0.01 0.00 0.00 175.29 176.97 1hek h LEU 53 N 6.76 -1.31 -0.79 2.90 4.07 -1.98 0.95 115.31 125.91 1hek h LEU 53 Ca -0.24 0.26 0.11 0.00 0.08 0.00 0.00 57.88 58.09 1hek h LEU 53 Cb 1.22 0.65 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 1hek h LEU 53 CO 0.47 -0.30 0.94 -0.09 -1.08 0.00 0.00 178.44 178.38 1hek h ARG 54 N -0.12 0.00 0.07 1.13 1.12 -1.95 1.37 114.38 116.00 1hek h ARG 54 Ca 0.26 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.87 1hek h ARG 54 Cb 0.56 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 1hek h ARG 54 CO -0.78 0.00 -1.37 -0.44 -3.11 0.00 0.00 179.97 174.27 1hek h ASP 55 N 0.00 0.23 0.38 -3.80 3.32 0.53 -3.40 116.42 113.68 1hek h ASP 55 Ca 0.19 -0.76 -0.31 0.00 0.02 0.00 0.00 57.03 56.16 1hek h ASP 55 Cb 2.06 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 41.49 1hek h ASP 55 CO -0.00 1.58 -1.82 0.55 -1.72 0.00 0.00 179.24 177.82 1hek n VAL 56 N -4.07 1.62 0.11 -1.35 3.14 0.16 -4.01 118.33 113.94 1hek n VAL 56 Ca -0.28 -0.77 0.18 0.00 -2.96 0.00 0.00 64.34 60.51 1hek n VAL 56 Cb 0.82 -1.13 0.60 0.00 -1.06 0.00 0.00 33.84 33.08 1hek n VAL 56 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1hek h ILE 57 N 0.01 0.15 0.02 1.55 1.08 0.13 -1.21 117.51 119.24 1hek h ILE 57 Ca -0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1hek h ILE 57 Cb 2.03 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1hek h ILE 57 CO 0.07 0.00 -0.01 -0.65 -0.69 0.00 0.00 178.15 176.88 1hek h PRO 58 N 0.00 -0.02 -0.66 2.37 0.11 -1.76 -3.35 132.00 128.69 1hek h PRO 58 Ca 0.19 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.37 1hek h PRO 58 Cb 1.50 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.53 1hek h PRO 58 CO -0.00 -0.02 -0.34 1.28 -0.21 0.00 0.00 178.00 178.71 1hek n LEU 59 N -2.09 -0.60 -0.07 2.35 4.77 -0.47 -2.37 117.00 118.51 1hek n LEU 59 Ca -0.00 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.20 1hek n LEU 59 Cb 0.01 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1hek n LEU 59 CO 0.01 -0.98 0.17 0.18 -1.33 0.00 0.00 177.39 175.44 1hek n LEU 60 N -4.87 0.03 0.43 2.23 4.32 -1.14 -1.21 117.00 116.79 1hek n LEU 60 Ca 0.03 0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 56.05 1hek n LEU 60 Cb 0.20 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 41.82 1hek n LEU 60 CO -0.10 -0.22 0.46 -0.08 -1.22 0.00 0.00 177.39 176.23 1hek h GLU 61 N 0.00 -1.06 0.00 3.23 4.57 -1.70 -2.88 114.58 116.73 1hek h GLU 61 Ca 0.13 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1hek h GLU 61 Cb 0.40 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1hek h GLU 61 CO -0.07 -0.70 0.00 -0.25 -1.18 0.00 0.00 179.01 176.81 1hek n ASP 62 N -5.51 0.00 -0.12 1.04 8.00 -0.35 -1.12 116.55 118.49 1hek n ASP 62 Ca -0.14 -1.48 -0.23 0.00 0.71 0.00 0.00 54.79 53.65 1hek n ASP 62 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 1hek n ASP 62 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1hek n VAL 63 N -0.54 1.52 0.28 2.53 0.31 -1.16 -3.85 118.33 117.42 1hek n VAL 63 Ca 0.02 -0.20 0.16 0.00 -0.01 0.00 0.00 64.34 64.30 1hek n VAL 63 Cb 0.01 -2.03 0.75 0.00 -0.91 0.00 0.00 33.84 31.65 1hek n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hek h THR 64 N -1.00 0.24 0.00 2.52 1.03 -1.46 0.10 112.91 114.34 1hek h THR 64 Ca -0.47 -0.54 -0.06 0.00 -0.01 0.00 0.00 66.41 65.33 1hek h THR 64 Cb 1.40 1.43 -0.01 0.00 -1.07 0.00 0.00 68.15 69.90 1hek h THR 64 CO -0.29 0.07 -0.28 -0.61 -0.01 0.00 0.00 175.52 174.40 1hek h GLN 65 N 0.00 0.00 0.00 0.00 5.75 -1.29 -3.14 115.11 116.43 1hek h GLN 65 Ca -0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 1hek h GLN 65 Cb 0.42 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1hek h GLN 65 CO 0.01 0.28 -0.69 1.15 -2.65 0.00 0.00 178.83 176.93 1hek h THR 66 N 0.00 1.10 -2.42 2.39 2.02 -0.93 -3.47 112.91 111.60 1hek h THR 66 Ca -0.00 -2.08 -0.44 0.00 0.77 0.00 0.00 66.41 64.66 1hek h THR 66 Cb 0.56 2.33 0.23 0.00 -1.74 0.00 0.00 68.15 69.53 1hek h THR 66 CO 0.04 0.37 -0.87 0.18 0.37 0.00 0.00 175.52 175.61 1hek n LEU 67 N -4.53 -2.21 -3.66 2.58 4.77 -0.78 -5.04 117.00 108.13 1hek n LEU 67 Ca -0.21 -0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 55.46 1hek n LEU 67 Cb 0.54 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1hek n LEU 67 CO 0.22 -3.16 0.16 -0.94 -1.33 0.00 0.00 177.39 172.34 1hek s SER 68 N -1.96 -0.30 0.79 -1.43 1.04 -1.26 -4.75 113.70 105.83 1hek s SER 68 Ca 0.58 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1hek s SER 68 Cb -0.14 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1hek s SER 68 CO 0.64 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1hek n GLY 69 N 0.60 2.57 0.33 7.32 0.00 -1.26 -2.93 105.19 111.82 1hek n GLY 69 Ca -0.19 -0.30 0.19 0.00 0.00 0.00 0.00 46.02 45.72 1hek n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1hek n GLN 70 N 14.00 -0.07 0.00 1.61 -0.06 -1.26 -0.42 117.38 131.18 1hek n GLN 70 Ca 0.00 1.43 0.00 0.00 -2.00 0.00 0.00 57.00 56.43 1hek n GLN 70 Cb 0.00 -2.34 0.00 0.00 -4.06 0.00 0.00 30.24 23.84 1hek n GLN 70 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1hek n GLU 71 N -5.39 0.00 -0.08 3.69 -0.58 -1.15 -2.33 120.64 114.80 1hek n GLU 71 Ca 0.26 0.46 -0.02 0.00 -0.42 0.00 0.00 57.16 57.45 1hek n GLU 71 Cb 0.87 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 1hek n GLU 71 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1hek n ARG 72 N -1.89 -0.09 0.00 3.49 0.63 -0.56 0.49 116.66 118.73 1hek n ARG 72 Ca 0.00 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1hek n ARG 72 Cb 0.00 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1hek n ARG 72 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1hek n GLU 73 N -3.35 0.00 0.17 -0.14 4.07 0.44 0.14 120.64 121.97 1hek n GLU 73 Ca 0.00 0.11 0.05 0.00 -0.06 0.00 0.00 57.16 57.27 1hek n GLU 73 Cb 0.05 -0.22 0.50 0.00 -0.06 0.00 0.00 31.44 31.71 1hek n GLU 73 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hek h ALA 74 N -0.42 1.74 -0.57 4.31 0.00 -0.98 -2.70 119.26 120.65 1hek h ALA 74 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1hek h ALA 74 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1hek h ALA 74 CO 0.00 0.20 0.25 0.35 0.00 0.00 0.00 179.25 180.05 1hek h PHE 75 N 0.16 0.84 0.53 0.00 3.57 0.64 0.41 116.94 123.08 1hek h PHE 75 Ca 0.04 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1hek h PHE 75 Cb 0.17 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.66 1hek h PHE 75 CO 0.00 0.66 -0.25 1.05 -2.23 0.00 0.00 178.31 177.54 1hek h GLU 76 N 0.77 -0.68 -1.37 1.11 4.11 -0.33 -2.94 114.58 115.25 1hek h GLU 76 Ca 0.19 0.05 0.42 0.00 0.07 0.00 0.00 59.36 60.09 1hek h GLU 76 Cb 0.16 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1hek h GLU 76 CO -0.02 -0.42 0.93 0.00 0.07 0.00 0.00 179.01 179.57 1hek h ARG 77 N -1.15 0.10 0.44 1.06 3.08 -1.44 0.68 114.38 117.15 1hek h ARG 77 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1hek h ARG 77 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1hek h ARG 77 CO 0.12 0.07 -0.21 1.15 -1.07 0.00 0.00 179.97 180.03 1hek h THR 78 N 0.10 0.51 -0.12 2.04 2.02 -0.13 -3.06 112.91 114.27 1hek h THR 78 Ca 0.76 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 67.57 1hek h THR 78 Cb 2.57 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 69.61 1hek h THR 78 CO -0.25 0.07 -0.22 -0.50 0.37 0.00 0.00 175.52 174.99 1hek h TRP 79 N -0.85 -0.58 -1.62 3.16 4.06 0.42 0.61 115.95 121.15 1hek h TRP 79 Ca -0.06 0.03 0.50 0.00 2.06 0.00 0.00 58.89 61.42 1hek h TRP 79 Cb 0.56 0.28 -0.10 0.00 -1.00 0.00 0.00 29.16 28.89 1hek h TRP 79 CO 0.01 -0.30 1.11 0.91 -3.56 0.00 0.00 178.44 176.61 1hek n TRP 80 N -5.35 0.32 -0.05 0.49 7.02 0.20 0.20 117.44 120.26 1hek n TRP 80 Ca -0.03 0.32 -0.02 0.00 -1.02 0.00 0.00 57.50 56.75 1hek n TRP 80 Cb 0.27 -0.77 -0.01 0.00 -2.42 0.00 0.00 31.31 28.38 1hek n TRP 80 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hek h ALA 81 N 1.22 0.00 -0.53 6.99 0.00 -0.85 -2.98 119.26 123.12 1hek h ALA 81 Ca 0.87 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.63 1hek h ALA 81 Cb 3.18 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 21.17 1hek h ALA 81 CO -0.22 0.23 0.36 0.97 0.00 0.00 0.00 179.25 180.59 1hek h ILE 82 N -0.77 0.85 0.43 0.00 2.10 0.23 0.43 117.51 120.78 1hek h ILE 82 Ca 0.00 -0.08 -0.02 0.00 1.08 0.00 0.00 64.86 65.84 1hek h ILE 82 Cb 0.23 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 1hek h ILE 82 CO 0.00 0.04 -0.21 0.77 -1.08 0.00 0.00 178.15 177.68 1hek h SER 83 N 0.24 -0.49 0.00 2.19 4.64 0.21 -2.03 113.55 118.31 1hek h SER 83 Ca 0.25 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1hek h SER 83 Cb 0.66 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1hek h SER 83 CO -0.05 -0.16 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 1hek n ALA 84 N -2.50 -0.12 -0.29 5.18 0.00 -0.24 -3.67 120.51 118.87 1hek n ALA 84 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1hek n ALA 84 Cb 0.29 0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.85 1hek n ALA 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hek n VAL 85 N -1.13 -0.39 0.00 0.00 0.31 0.13 -3.11 118.33 114.13 1hek n VAL 85 Ca 0.00 1.75 0.00 0.00 -0.01 0.00 0.00 64.34 66.08 1hek n VAL 85 Cb 0.00 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.62 1hek n VAL 85 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1hek n LYS 86 N -5.10 0.00 -0.00 5.55 4.81 -0.76 -4.05 118.16 118.61 1hek n LYS 86 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1hek n LYS 86 Cb 0.30 -1.42 -0.00 0.00 0.02 0.00 0.00 35.03 33.92 1hek n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hek n GLY 88 N 2.86 0.53 3.58 3.14 0.00 -1.19 -2.74 105.19 111.37 1hek n GLY 88 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1hek n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hek s LEU 89 N -2.46 3.43 0.48 0.99 0.20 -1.18 -4.92 118.68 115.22 1hek s LEU 89 Ca 0.00 1.41 -0.20 0.00 0.69 0.00 0.00 54.13 56.03 1hek s LEU 89 Cb 0.00 -3.18 -0.09 0.00 -0.43 0.00 0.00 46.19 42.50 1hek s LEU 89 CO 0.03 -2.17 1.02 -1.10 -0.29 0.00 0.00 176.35 173.84 1hek s GLN 90 N 6.73 3.88 0.27 1.98 -1.52 -1.26 -2.70 119.66 127.03 1hek s GLN 90 Ca 0.92 1.30 -0.11 0.00 -1.95 0.00 0.00 55.36 55.53 1hek s GLN 90 Cb -0.25 -2.11 -0.00 0.00 -0.22 0.00 0.00 33.01 30.43 1hek s GLN 90 CO 0.31 -0.36 0.48 -1.50 -0.25 0.00 0.00 175.29 173.97 1hek s ILE 91 N -2.04 0.00 0.00 1.08 2.07 -1.26 -4.96 121.20 116.09 1hek s ILE 91 Ca 0.66 -1.45 -0.01 0.00 -1.41 0.00 0.00 60.65 58.44 1hek s ILE 91 Cb -0.15 -2.33 -0.01 0.00 0.13 0.00 0.00 42.46 40.11 1hek s ILE 91 CO 0.19 0.00 -0.02 -3.20 -1.91 0.00 0.00 174.94 170.00 1hek n ASN 92 N -0.61 0.30 -4.01 4.50 5.15 -1.26 -4.84 115.26 114.50 1hek n ASN 92 Ca -0.01 0.04 -0.30 0.00 -0.60 0.00 0.00 54.58 53.70 1hek n ASN 92 Cb 0.62 -0.10 -0.16 0.00 -0.53 0.00 0.00 39.78 39.61 1hek n ASN 92 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1hek s ASN 93 N -5.30 3.23 0.00 1.20 3.84 -1.26 -0.88 114.94 115.77 1hek s ASN 93 Ca -0.02 -0.79 0.00 0.00 0.21 0.00 0.00 52.86 52.26 1hek s ASN 93 Cb 0.01 -1.23 0.00 0.00 -0.55 0.00 0.00 41.25 39.47 1hek s ASN 93 CO 0.03 -0.12 0.00 1.33 -2.79 0.00 0.00 177.10 175.55 1hek n VAL 94 N 4.70 0.00 -0.21 -5.21 0.24 -0.22 0.11 118.33 117.75 1hek n VAL 94 Ca -0.15 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.16 1hek n VAL 94 Cb 0.47 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.97 1hek n VAL 94 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1hek h VAL 95 N 0.00 0.61 -0.33 3.34 3.04 -1.86 -3.02 116.25 118.02 1hek h VAL 95 Ca 0.00 -0.09 0.07 0.00 -1.01 0.00 0.00 66.70 65.67 1hek h VAL 95 Cb 0.00 0.33 -0.06 0.00 -2.01 0.00 0.00 31.29 29.55 1hek h VAL 95 CO 0.00 0.05 -0.08 0.47 -1.01 0.00 0.00 177.57 176.99 1hek n ASP 96 N -5.14 -0.12 -0.91 3.17 8.00 0.30 -0.57 116.55 121.27 1hek n ASP 96 Ca 0.10 0.57 -0.01 0.00 0.71 0.00 0.00 54.79 56.17 1hek n ASP 96 Cb 0.35 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1hek n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hek n GLY 97 N -1.21 1.95 0.39 0.44 0.00 -1.14 -4.28 105.19 101.34 1hek n GLY 97 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1hek n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1hek h LYS 98 N 0.08 -0.95 0.00 1.61 3.64 -1.05 -2.17 116.57 117.72 1hek h LYS 98 Ca 0.02 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1hek h LYS 98 Cb 0.93 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1hek h LYS 98 CO 0.04 -0.64 0.00 0.00 -2.27 0.00 0.00 179.45 176.58 1hek n ALA 99 N -2.56 0.00 -0.08 5.00 0.00 -1.26 -0.35 120.51 121.25 1hek n ALA 99 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1hek n ALA 99 Cb 0.39 0.20 0.12 0.00 0.00 0.00 0.00 19.45 20.16 1hek n ALA 99 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hek n SER 100 N -0.84 0.04 0.00 0.00 3.41 -1.25 -1.10 113.62 113.88 1hek n SER 100 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1hek n SER 100 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1hek n SER 100 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1hek n PHE 101 N -3.78 0.00 -0.13 7.33 7.35 0.52 -0.57 117.46 128.19 1hek n PHE 101 Ca 0.08 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.90 1hek n PHE 101 Cb 0.27 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.34 1hek n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hek n GLN 102 N -0.28 -0.02 0.00 -4.13 10.64 -0.39 0.17 117.38 123.37 1hek n GLN 102 Ca 0.00 0.55 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 1hek n GLN 102 Cb 0.00 -0.99 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 1hek n GLN 102 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1hek n LEU 103 N -3.90 0.00 -0.53 2.61 -0.00 -0.26 -1.41 117.00 113.50 1hek n LEU 103 Ca 0.15 0.41 0.40 0.00 -0.00 0.00 0.00 56.01 56.97 1hek n LEU 103 Cb 0.51 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.55 1hek n LEU 103 CO 0.00 0.00 1.13 0.18 -0.00 0.00 0.00 177.39 178.70 1hek n LEU 104 N -0.41 0.00 0.02 -1.96 4.77 0.46 -0.36 117.00 119.52 1hek n LEU 104 Ca 0.00 0.75 -0.02 0.00 -0.03 0.00 0.00 56.01 56.71 1hek n LEU 104 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1hek n LEU 104 CO 0.00 -0.75 0.07 -0.09 -1.33 0.00 0.00 177.39 175.28 1hek h ARG 105 N 0.00 -0.12 -0.56 3.23 1.12 -0.94 -2.91 114.38 114.19 1hek h ARG 105 Ca 0.71 0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.75 1hek h ARG 105 Cb 2.87 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 32.84 1hek h ARG 105 CO -0.01 -0.08 0.64 0.00 -3.11 0.00 0.00 179.97 177.41 1hek h ALA 106 N -1.27 2.32 0.00 2.80 0.00 0.52 1.19 119.26 124.82 1hek h ALA 106 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1hek h ALA 106 Cb 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1hek h ALA 106 CO 0.02 -0.93 -0.39 -0.22 0.00 0.00 0.00 179.25 177.73 1hek h LYS 107 N 0.00 0.00 -2.76 0.00 3.11 -0.86 -3.28 116.57 112.78 1hek h LYS 107 Ca 0.27 0.00 -0.81 0.00 -2.81 0.00 0.00 60.65 57.30 1hek h LYS 107 Cb 1.55 0.00 -0.28 0.00 -1.00 0.00 0.00 32.23 32.50 1hek h LYS 107 CO -0.00 0.39 0.84 0.66 -2.81 0.00 0.00 179.45 178.53 1hek n TYR 108 N -3.38 2.34 -0.94 1.91 4.01 0.41 -5.06 117.16 116.46 1hek n TYR 108 Ca 0.01 -2.57 0.00 0.00 -0.16 0.00 0.00 57.90 55.18 1hek n TYR 108 Cb 0.58 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1hek n TYR 108 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79