#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hek s ALA -4 N 0.00 -2.11 0.00 0.00 0.00 -1.26 -5.27 121.76 113.12 1hek s ALA -4 Ca 0.00 2.26 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1hek s ALA -4 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1hek s ALA -4 CO 0.00 -0.35 1.41 -0.25 0.00 0.00 0.00 175.76 176.57 1hek n ASP -3 N 3.79 3.92 0.00 0.00 9.92 -1.26 -4.88 116.55 128.04 1hek n ASP -3 Ca -0.19 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1hek n ASP -3 Cb 0.58 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1hek n ASP -3 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1hek n ILE -2 N 1.07 0.00 -3.97 0.53 2.08 -1.26 -3.72 119.36 114.09 1hek n ILE -2 Ca 0.00 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.01 1hek n ILE -2 Cb 0.46 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 39.19 1hek n ILE -2 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1hek s GLY -1 N 0.00 1.12 0.00 7.39 0.00 -1.26 -5.16 107.32 109.41 1hek s GLY -1 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1hek s GLY -1 CO 0.00 0.72 0.00 1.44 0.00 0.00 0.00 173.10 175.26 1hek n SER 0 N 4.77 0.00 0.00 1.64 7.64 -1.24 -5.27 113.62 121.16 1hek n SER 0 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1hek n SER 0 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 0.00 3.57 0.23 0.00 -1.26 -5.11 105.19 102.63 1hek n GLY 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.23 0.00 1.61 1.01 -1.26 -5.07 116.67 116.19 1hek s ASP 3 Ca 0.00 -1.49 0.00 0.00 0.71 0.00 0.00 52.55 51.77 1hek s ASP 3 Cb 0.00 0.07 0.00 0.00 1.01 0.00 0.00 42.92 44.00 1hek s ASP 3 CO 0.00 -0.68 0.88 -2.65 0.21 0.00 0.00 175.17 172.93 1hek n PRO 4 N -0.93 0.00 -3.99 8.23 -0.02 -1.24 -4.79 135.00 132.26 1hek n PRO 4 Ca -0.07 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1hek n PRO 4 Cb 0.66 -1.38 -0.10 0.00 -0.02 0.00 0.00 33.50 32.67 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 -4.67 2.09 0.40 2.45 1.43 -1.22 -5.01 118.68 114.15 1hek s LEU 5 Ca 0.00 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 1hek s LEU 5 Cb 0.00 0.41 -0.14 0.00 0.03 0.00 0.00 46.19 46.50 1hek s LEU 5 CO 0.00 -0.53 0.44 0.41 0.23 0.00 0.00 176.35 176.90 1hek n THR 6 N 0.60 1.50 -0.36 5.49 -1.04 -1.26 -4.43 114.28 114.78 1hek n THR 6 Ca -0.18 -0.50 0.27 0.00 -2.04 0.00 0.00 64.05 61.60 1hek n THR 6 Cb 0.59 -0.37 0.55 0.00 -1.82 0.00 0.00 70.33 69.27 1hek n THR 6 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1hek h TRP 7 N 0.72 0.65 0.19 -1.42 7.01 -1.88 -0.19 115.95 121.04 1hek h TRP 7 Ca -0.38 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.63 1hek h TRP 7 Cb 1.41 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 28.29 1hek h TRP 7 CO 0.35 -0.05 -0.15 0.66 -2.79 0.00 0.00 178.44 176.46 1hek h SER 8 N 0.29 -0.41 -0.77 2.65 4.64 -1.87 0.45 113.55 118.54 1hek h SER 8 Ca 0.68 0.03 0.11 0.00 -0.47 0.00 0.00 61.79 62.14 1hek h SER 8 Cb 1.85 0.13 -0.13 0.00 -0.31 0.00 0.00 62.40 63.94 1hek h SER 8 CO -0.37 -0.22 -0.42 0.11 -0.87 0.00 0.00 176.83 175.06 1hek h LYS 9 N -0.33 -0.11 -0.73 4.77 1.79 -1.37 0.94 116.57 121.52 1hek h LYS 9 Ca -0.02 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.55 1hek h LYS 9 Cb 0.28 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1hek h LYS 9 CO 0.00 -0.07 0.36 0.00 -1.08 0.00 0.00 179.45 178.66 1hek h ALA 10 N 0.93 1.02 -0.51 3.86 0.00 -1.28 -1.98 119.26 121.30 1hek h ALA 10 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1hek h ALA 10 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1hek h ALA 10 CO -0.82 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 179.66 1hek n LEU 11 N -4.86 0.00 0.00 0.00 4.77 0.31 0.16 117.00 117.38 1hek n LEU 11 Ca 0.12 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1hek n LEU 11 Cb 0.29 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1hek n LEU 11 CO 0.24 -0.42 0.26 1.17 -1.33 0.00 0.00 177.39 177.31 1hek n LYS 12 N -2.22 0.00 -0.22 3.23 0.00 -0.20 0.23 118.16 118.98 1hek n LYS 12 Ca 0.00 0.51 0.24 0.00 0.00 0.00 0.00 58.31 59.06 1hek n LYS 12 Cb 0.00 -0.83 0.61 0.00 0.00 0.00 0.00 35.03 34.81 1hek n LYS 12 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1hek h LYS 13 N 0.00 0.22 -0.16 1.64 1.57 -1.27 -2.96 116.57 115.61 1hek h LYS 13 Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1hek h LYS 13 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1hek h LYS 13 CO 0.00 0.14 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.72 1hek h LEU 14 N 0.22 -0.76 -1.42 2.94 -0.00 1.27 -2.34 115.31 115.22 1hek h LEU 14 Ca 0.46 0.10 0.29 0.00 -0.00 0.00 0.00 57.88 58.73 1hek h LEU 14 Cb 1.44 0.31 -0.09 0.00 -0.00 0.00 0.00 40.66 42.32 1hek h LEU 14 CO -0.11 -0.17 0.70 1.05 -0.00 0.00 0.00 178.44 179.91 1hek h GLU 15 N -0.17 0.32 -0.12 1.13 4.11 -1.31 -0.97 114.58 117.57 1hek h GLU 15 Ca 0.03 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1hek h GLU 15 Cb 0.25 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 1hek h GLU 15 CO -0.24 0.21 -0.26 0.87 0.07 0.00 0.00 179.01 179.66 1hek h LYS 16 N 0.33 -0.33 -6.07 1.06 1.57 -1.53 -2.20 116.57 109.39 1hek h LYS 16 Ca 0.61 0.02 -0.81 0.00 -1.87 0.00 0.00 60.65 58.61 1hek h LYS 16 Cb 1.67 0.07 0.02 0.00 0.08 0.00 0.00 32.23 34.07 1hek h LYS 16 CO -0.29 -0.22 0.72 0.28 -0.57 0.00 0.00 179.45 179.38 1hek n VAL 17 N -5.38 0.12 -0.12 0.50 0.31 -0.37 -4.70 118.33 108.68 1hek n VAL 17 Ca -0.03 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 1hek n VAL 17 Cb 0.30 -0.77 0.07 0.00 -0.91 0.00 0.00 33.84 32.53 1hek n VAL 17 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1hek n THR 18 N 4.02 0.00 -3.40 2.52 -1.04 -1.26 -3.16 114.28 111.95 1hek n THR 18 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1hek n THR 18 Cb 0.03 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1hek n THR 18 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1hek n VAL 19 N -3.53 0.00 0.00 12.58 0.31 -1.17 -3.69 118.33 122.83 1hek n VAL 19 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1hek n VAL 19 Cb 0.15 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1hek n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hek n GLN 20 N 0.00 0.00 0.00 5.55 6.02 -1.26 -4.23 117.38 123.46 1hek n GLN 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1hek n GLN 20 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1hek n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hek n GLY 21 N 0.00 -2.96 2.22 1.08 0.00 -1.26 -4.65 105.19 99.62 1hek n GLY 21 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.20 -0.80 -3.88 1.61 2.88 -1.26 -5.13 113.62 105.84 1hek n SER 22 Ca 0.00 -1.54 -0.20 0.00 -1.33 0.00 0.00 58.87 55.81 1hek n SER 22 Cb 0.00 0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.04 0.75 0.15 -1.46 -0.44 -1.26 -4.99 119.66 112.46 1hek s GLN 23 Ca 0.04 -0.08 -0.03 0.00 -2.50 0.00 0.00 55.36 52.80 1hek s GLN 23 Cb 0.12 -0.79 0.04 0.00 -1.64 0.00 0.00 33.01 30.73 1hek s GLN 23 CO -0.03 -0.09 0.10 1.63 0.50 0.00 0.00 175.29 177.39 1hek n LYS 24 N 4.08 -2.15 -3.77 1.67 5.02 -1.26 -3.04 118.16 118.71 1hek n LYS 24 Ca -0.25 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.54 1hek n LYS 24 Cb 0.51 -0.20 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 1hek n LYS 24 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1hek s LEU 25 N 0.00 4.36 -0.12 -0.35 2.96 -0.83 -4.63 118.68 120.07 1hek s LEU 25 Ca 0.07 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1hek s LEU 25 Cb -0.01 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1hek s LEU 25 CO 0.06 0.23 0.09 0.42 -1.32 0.00 0.00 176.35 175.83 1hek s THR 26 N -1.35 5.11 0.13 3.68 -4.23 -1.26 -4.23 115.64 113.49 1hek s THR 26 Ca 0.29 0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.60 1hek s THR 26 Cb -0.13 -3.23 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 1hek s THR 26 CO 0.18 0.59 1.46 0.00 -0.54 0.00 0.00 174.62 176.31 1hek h THR 27 N 4.18 0.00 -1.02 3.99 1.03 -1.95 0.49 112.91 119.63 1hek h THR 27 Ca -0.51 0.00 0.24 0.00 -0.01 0.00 0.00 66.41 66.13 1hek h THR 27 Cb 1.21 0.00 -0.10 0.00 -1.07 0.00 0.00 68.15 68.18 1hek h THR 27 CO 0.60 0.00 0.63 1.23 -0.01 0.00 0.00 175.52 177.97 1hek h GLY 28 N -0.11 1.50 -0.54 2.99 0.00 -1.99 0.15 103.07 105.08 1hek h GLY 28 Ca 0.11 -0.26 0.30 0.00 0.00 0.00 0.00 47.33 47.48 1hek h GLY 28 CO -0.71 -0.15 0.46 3.43 0.00 0.00 0.00 176.54 179.57 1hek h ASN 29 N 0.52 0.33 0.00 0.19 -0.26 -0.40 0.36 115.58 116.31 1hek h ASN 29 Ca 0.60 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 56.54 1hek h ASN 29 Cb 1.30 0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.75 1hek h ASN 29 CO -0.36 -0.16 0.00 0.00 -1.06 0.00 0.00 177.43 175.85 1hek n ASN 31 N -1.73 0.00 0.33 0.00 3.02 -0.65 0.72 115.26 116.96 1hek n ASN 31 Ca 0.00 0.83 -0.13 0.00 -0.03 0.00 0.00 54.58 55.25 1hek n ASN 31 Cb 0.00 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 1hek n ASN 31 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1hek h TRP 32 N 0.00 -0.81 0.00 3.10 7.01 -0.18 0.13 115.95 125.20 1hek h TRP 32 Ca 0.65 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.62 1hek h TRP 32 Cb 3.20 0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 30.52 1hek h TRP 32 CO 0.00 -0.50 -0.05 0.00 -2.79 0.00 0.00 178.44 175.09 1hek h ALA 33 N -1.38 1.41 0.22 2.65 0.00 0.56 1.01 119.26 123.73 1hek h ALA 33 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1hek h ALA 33 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1hek h ALA 33 CO 0.15 0.07 -0.11 1.25 0.00 0.00 0.00 179.25 180.61 1hek h LEU 34 N 0.00 -0.25 -0.49 0.00 5.85 -1.05 -3.17 115.31 116.19 1hek h LEU 34 Ca -0.00 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1hek h LEU 34 Cb 0.15 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1hek h LEU 34 CO 0.01 0.26 0.13 0.28 -0.34 0.00 0.00 178.44 178.77 1hek h SER 35 N -0.91 0.07 -1.27 1.25 0.02 -0.10 0.68 113.55 113.28 1hek h SER 35 Ca -0.03 0.08 0.44 0.00 -0.84 0.00 0.00 61.79 61.44 1hek h SER 35 Cb 0.50 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 62.99 1hek h SER 35 CO 0.05 0.06 0.80 0.25 -1.14 0.00 0.00 176.83 176.85 1hek h LEU 36 N 0.28 0.26 0.00 5.07 7.12 0.10 -0.58 115.31 127.56 1hek h LEU 36 Ca 0.24 0.17 -0.34 0.00 0.13 0.00 0.00 57.88 58.08 1hek h LEU 36 Cb 0.30 0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.54 1hek h LEU 36 CO -0.29 -0.24 -1.91 0.55 -0.13 0.00 0.00 178.44 176.41 1hek n VAL 37 N -4.81 1.53 -0.58 1.05 3.14 -0.39 -3.13 118.33 115.13 1hek n VAL 37 Ca 0.38 -0.20 0.47 0.00 -2.96 0.00 0.00 64.34 62.03 1hek n VAL 37 Cb 1.43 -1.98 0.74 0.00 -1.06 0.00 0.00 33.84 32.97 1hek n VAL 37 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1hek h ASP 38 N -1.00 0.00 0.05 6.55 3.58 -0.34 1.02 116.42 126.28 1hek h ASP 38 Ca -0.51 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.63 1hek h ASP 38 Cb 1.43 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.45 1hek h ASP 38 CO -0.31 0.00 -1.71 -0.11 -2.88 0.00 0.00 179.24 174.23 1hek n LEU 39 N -3.81 2.23 0.15 2.28 0.00 -0.28 -0.23 117.00 117.35 1hek n LEU 39 Ca 0.39 0.30 0.14 0.00 0.00 0.00 0.00 56.01 56.84 1hek n LEU 39 Cb 1.87 -1.02 0.68 0.00 0.00 0.00 0.00 43.42 44.95 1hek n LEU 39 CO 0.40 0.56 1.12 0.15 0.00 0.00 0.00 177.39 179.63 1hek h PHE 40 N -0.52 0.00 -0.35 1.96 3.04 0.97 -1.09 116.94 120.94 1hek h PHE 40 Ca -0.42 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1hek h PHE 40 Cb 1.65 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.16 1hek h PHE 40 CO 0.07 0.00 0.00 0.72 -2.02 0.00 0.00 178.31 177.08 1hek n HIS 41 N -4.41 0.74 -1.53 0.41 8.25 0.57 -4.96 115.22 114.28 1hek n HIS 41 Ca 0.02 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.71 1hek n HIS 41 Cb 0.32 -0.15 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 1hek n HIS 41 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1hek n ASP 42 N 0.22 -3.64 -2.31 0.41 8.00 -0.41 -4.94 116.55 113.88 1hek n ASP 42 Ca 0.17 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1hek n ASP 42 Cb 0.64 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 1hek n ASP 42 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1hek n THR 43 N -2.10 0.00 -2.41 -3.53 -2.24 0.69 -4.97 114.28 99.73 1hek n THR 43 Ca -0.14 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1hek n THR 43 Cb 0.47 -1.70 0.03 0.00 -2.10 0.00 0.00 70.33 67.03 1hek n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1hek n ASN 44 N 0.00 -0.61 -0.15 3.42 2.85 -1.26 -4.69 115.26 114.83 1hek n ASN 44 Ca 0.00 -2.08 -0.08 0.00 -0.11 0.00 0.00 54.58 52.31 1hek n ASN 44 Cb 0.00 0.27 0.01 0.00 1.24 0.00 0.00 39.78 41.30 1hek n ASN 44 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1hek h PHE 45 N 0.80 0.61 -1.00 1.20 -1.00 -1.90 0.32 116.94 115.97 1hek h PHE 45 Ca -0.43 -0.01 0.29 0.00 2.81 0.00 0.00 57.97 60.62 1hek h PHE 45 Cb 1.42 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.74 1hek h PHE 45 CO -0.02 0.46 1.01 -0.24 -1.61 0.00 0.00 178.31 177.92 1hek h VAL 46 N 0.58 0.13 0.01 -0.55 3.04 -1.91 1.46 116.25 119.00 1hek h VAL 46 Ca 0.16 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.58 1hek h VAL 46 Cb 0.05 0.21 -0.04 0.00 -2.01 0.00 0.00 31.29 29.50 1hek h VAL 46 CO -0.03 0.00 -1.48 1.17 -1.01 0.00 0.00 177.57 176.23 1hek n LYS 47 N -3.53 0.58 -1.65 4.17 0.00 0.85 -4.95 118.16 113.65 1hek n LYS 47 Ca 0.22 0.52 -0.47 0.00 0.00 0.00 0.00 58.31 58.58 1hek n LYS 47 Cb 1.33 -1.71 -0.04 0.00 0.00 0.00 0.00 35.03 34.61 1hek n LYS 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1hek n GLU 48 N -4.34 1.82 -0.18 1.64 -0.58 0.50 -4.87 120.64 114.63 1hek n GLU 48 Ca -0.35 0.65 0.15 0.00 -0.42 0.00 0.00 57.16 57.20 1hek n GLU 48 Cb 0.74 -2.32 0.49 0.00 -0.57 0.00 0.00 31.44 29.78 1hek n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1hek h LYS 49 N 4.63 0.43 0.00 3.49 1.63 -1.93 -3.44 116.57 121.38 1hek h LYS 49 Ca -0.45 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.22 1hek h LYS 49 Cb 1.29 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1hek h LYS 49 CO 0.79 0.28 0.14 -3.47 -3.45 0.00 0.00 179.45 173.74 1hek n ASP 50 N -4.49 -1.92 0.00 4.20 2.03 -1.26 -4.54 116.55 110.57 1hek n ASP 50 Ca 0.15 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.84 1hek n ASP 50 Cb 0.54 3.28 0.00 0.00 -0.72 0.00 0.00 41.12 44.22 1hek n ASP 50 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1hek n TRP 51 N -0.53 0.00 -3.54 -0.67 4.27 -1.26 -5.01 117.44 110.70 1hek n TRP 51 Ca -0.06 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.18 1hek n TRP 51 Cb 0.57 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.46 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 -2.00 3.86 0.20 -2.67 1.11 -1.26 -4.81 119.66 114.08 1hek s GLN 52 Ca 0.00 0.34 -0.11 0.00 0.01 0.00 0.00 55.36 55.60 1hek s GLN 52 Cb 0.00 -3.19 0.23 0.00 -1.01 0.00 0.00 33.01 29.04 1hek s GLN 52 CO 0.00 0.68 1.76 -0.07 0.01 0.00 0.00 175.29 177.67 1hek h LEU 53 N 4.59 0.29 -1.15 2.90 4.07 -1.98 0.60 115.31 124.64 1hek h LEU 53 Ca -0.52 0.06 0.34 0.00 0.08 0.00 0.00 57.88 57.85 1hek h LEU 53 Cb 1.22 0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.84 1hek h LEU 53 CO 0.62 0.19 0.65 0.08 -1.08 0.00 0.00 178.44 178.89 1hek h ARG 54 N 0.45 0.26 -0.61 1.13 0.11 -1.92 3.91 114.38 117.71 1hek h ARG 54 Ca 0.28 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.33 1hek h ARG 54 Cb 0.29 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 1hek h ARG 54 CO -0.25 0.17 0.34 -0.44 0.10 0.00 0.00 179.97 179.89 1hek h ASP 55 N 0.27 0.74 0.00 0.08 3.32 -1.24 -3.35 116.42 116.23 1hek h ASP 55 Ca 0.74 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 57.53 1hek h ASP 55 Cb 1.88 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 41.20 1hek h ASP 55 CO -0.52 0.59 -1.79 1.33 -1.72 0.00 0.00 179.24 177.13 1hek n VAL 56 N -4.39 0.79 -0.45 -1.35 0.24 1.14 -4.66 118.33 109.65 1hek n VAL 56 Ca 0.06 -0.42 0.40 0.00 -2.04 0.00 0.00 64.34 62.33 1hek n VAL 56 Cb 0.09 -0.81 0.73 0.00 -1.47 0.00 0.00 33.84 32.38 1hek n VAL 56 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1hek h ILE 57 N 0.00 0.26 0.00 1.34 1.08 0.29 0.86 117.51 121.33 1hek h ILE 57 Ca -0.31 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1hek h ILE 57 Cb 1.62 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1hek h ILE 57 CO -0.01 0.01 0.00 -2.65 -0.69 0.00 0.00 178.15 174.81 1hek n PRO 58 N -4.24 0.22 0.07 2.37 -0.02 -1.26 -3.35 135.00 128.78 1hek n PRO 58 Ca 0.33 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 1hek n PRO 58 Cb 1.46 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 33.29 1hek n PRO 58 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hek h LEU 59 N 0.00 0.60 0.00 2.45 3.38 0.45 -3.39 115.31 118.80 1hek h LEU 59 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1hek h LEU 59 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1hek h LEU 59 CO 0.00 1.73 0.00 0.18 0.09 0.00 0.00 178.44 180.44 1hek n LEU 60 N -3.70 0.00 -0.07 1.67 4.32 -1.15 -1.40 117.00 116.67 1hek n LEU 60 Ca -0.23 0.83 0.01 0.00 -0.02 0.00 0.00 56.01 56.60 1hek n LEU 60 Cb 1.03 -0.41 0.03 0.00 -1.62 0.00 0.00 43.42 42.45 1hek n LEU 60 CO 0.50 -0.41 0.13 -0.62 -1.22 0.00 0.00 177.39 175.78 1hek n GLU 61 N -2.81 -0.02 0.18 3.23 -0.58 -1.26 0.32 120.64 119.70 1hek n GLU 61 Ca 0.00 0.32 0.03 0.00 -0.42 0.00 0.00 57.16 57.09 1hek n GLU 61 Cb 0.00 -0.47 0.34 0.00 -0.57 0.00 0.00 31.44 30.74 1hek n GLU 61 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1hek h ASP 62 N 0.00 0.00 0.04 1.62 5.19 -1.49 -1.61 116.42 120.17 1hek h ASP 62 Ca 0.10 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1hek h ASP 62 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1hek h ASP 62 CO -0.21 0.41 -0.02 0.58 -3.12 0.00 0.00 179.24 176.88 1hek h VAL 63 N 0.00 0.00 -1.04 -1.35 2.07 0.52 -3.00 116.25 113.45 1hek h VAL 63 Ca -0.00 -0.35 0.30 0.00 0.82 0.00 0.00 66.70 67.46 1hek h VAL 63 Cb 0.78 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1hek h VAL 63 CO 0.05 0.00 1.09 0.74 0.02 0.00 0.00 177.57 179.47 1hek h THR 64 N -0.41 0.08 0.00 2.57 2.02 -1.39 2.00 112.91 117.78 1hek h THR 64 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1hek h THR 64 Cb 0.05 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1hek h THR 64 CO 0.01 0.00 -0.19 -0.61 0.37 0.00 0.00 175.52 175.10 1hek h GLN 65 N 0.00 0.00 0.01 6.66 5.75 -1.30 -3.37 115.11 122.86 1hek h GLN 65 Ca 0.49 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.70 1hek h GLN 65 Cb 2.67 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 31.17 1hek h GLN 65 CO -0.01 0.00 -1.63 2.41 -2.65 0.00 0.00 178.83 176.96 1hek n THR 66 N -2.62 1.55 -2.20 2.39 -1.04 0.68 -4.86 114.28 108.18 1hek n THR 66 Ca 0.04 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 1hek n THR 66 Cb 0.48 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 1hek n THR 66 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hek s LEU 67 N -7.69 4.00 -0.05 -4.42 1.43 -1.09 -4.94 118.68 105.92 1hek s LEU 67 Ca -0.31 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1hek s LEU 67 Cb 0.08 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1hek s LEU 67 CO 0.59 -1.10 -0.02 -1.28 0.23 0.00 0.00 176.35 174.77 1hek h SER 68 N 9.88 0.00 -1.95 2.29 0.87 -1.89 -3.30 113.55 119.46 1hek h SER 68 Ca -0.32 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.82 1hek h SER 68 Cb 1.14 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.32 1hek h SER 68 CO 1.00 0.25 -1.32 0.61 -0.53 0.00 0.00 176.83 176.83 1hek n GLY 69 N 1.86 -2.60 0.52 5.77 0.00 -1.26 -4.06 105.19 105.42 1hek n GLY 69 Ca -0.01 -0.64 0.39 0.00 0.00 0.00 0.00 46.02 45.76 1hek n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hek n GLN 70 N -1.05 -0.00 -0.37 1.61 3.00 -1.26 0.39 117.38 119.70 1hek n GLN 70 Ca 0.01 0.78 0.33 0.00 -0.01 0.00 0.00 57.00 58.11 1hek n GLN 70 Cb 0.61 -1.81 0.57 0.00 0.00 0.00 0.00 30.24 29.60 1hek n GLN 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1hek n GLU 71 N -3.39 -0.04 0.00 -1.09 -0.58 -1.26 0.20 120.64 114.48 1hek n GLU 71 Ca 0.32 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 58.18 1hek n GLU 71 Cb 1.47 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 -4.60 0.00 -0.30 3.49 0.63 1.27 -0.36 116.66 116.80 1hek n ARG 72 Ca 0.34 0.29 0.12 0.00 -0.92 0.00 0.00 57.85 57.68 1hek n ARG 72 Cb 1.29 -1.22 0.29 0.00 0.45 0.00 0.00 32.46 33.27 1hek n ARG 72 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1hek h GLU 73 N 0.00 0.32 -0.13 -0.14 5.08 -0.52 0.92 114.58 120.11 1hek h GLU 73 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1hek h GLU 73 Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1hek h GLU 73 CO 0.00 0.21 -0.12 0.00 -1.00 0.00 0.00 179.01 178.10 1hek h ALA 74 N 1.72 -0.31 -0.03 3.43 0.00 0.23 0.27 119.26 124.56 1hek h ALA 74 Ca 0.54 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.47 1hek h ALA 74 Cb 1.05 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1hek h ALA 74 CO -0.56 -0.38 -0.09 0.35 0.00 0.00 0.00 179.25 178.57 1hek h PHE 75 N -0.06 -0.26 -0.14 0.00 3.57 0.37 -1.99 116.94 118.43 1hek h PHE 75 Ca 0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1hek h PHE 75 Cb 0.12 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1hek h PHE 75 CO -0.73 -0.09 -0.46 1.05 -2.23 0.00 0.00 178.31 175.86 1hek h GLU 76 N -0.09 -0.45 -0.97 1.11 4.11 -0.73 0.24 114.58 117.79 1hek h GLU 76 Ca 0.01 0.03 0.32 0.00 0.07 0.00 0.00 59.36 59.79 1hek h GLU 76 Cb 0.11 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.30 1hek h GLU 76 CO -0.08 -0.30 0.38 -0.09 0.07 0.00 0.00 179.01 179.00 1hek h ARG 77 N -0.47 0.14 -0.06 1.06 2.43 -0.46 2.05 114.38 119.07 1hek h ARG 77 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1hek h ARG 77 Cb 0.56 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1hek h ARG 77 CO -0.38 0.09 0.03 1.15 -1.51 0.00 0.00 179.97 179.35 1hek h THR 78 N 0.15 1.00 0.31 0.20 2.02 0.20 -2.49 112.91 114.30 1hek h THR 78 Ca 0.70 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.84 1hek h THR 78 Cb 1.63 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1hek h THR 78 CO -0.72 0.01 -0.15 -0.50 0.37 0.00 0.00 175.52 174.53 1hek h TRP 79 N 0.06 -0.39 -0.03 3.16 4.06 0.44 0.14 115.95 123.39 1hek h TRP 79 Ca 0.02 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1hek h TRP 79 Cb 0.01 0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1hek h TRP 79 CO -0.09 -0.24 -0.01 0.91 -3.56 0.00 0.00 178.44 175.46 1hek n TRP 80 N -3.18 0.01 0.00 0.49 7.02 0.13 0.17 117.44 122.08 1hek n TRP 80 Ca -0.05 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1hek n TRP 80 Cb 0.17 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.54 1hek n TRP 80 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hek n ALA 81 N -3.94 0.00 -0.16 6.99 0.00 -0.68 -0.96 120.51 121.75 1hek n ALA 81 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1hek n ALA 81 Cb 0.01 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.73 1hek n ALA 81 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1hek n ILE 82 N -0.26 -0.21 0.20 0.00 3.06 0.13 0.22 119.36 122.48 1hek n ILE 82 Ca 0.00 1.04 -0.08 0.00 -2.50 0.00 0.00 62.75 61.21 1hek n ILE 82 Cb 0.00 -1.66 -0.04 0.00 0.54 0.00 0.00 39.64 38.48 1hek n ILE 82 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1hek h SER 83 N 0.00 -0.44 -0.18 9.51 4.64 -0.95 0.59 113.55 126.72 1hek h SER 83 Ca 0.41 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1hek h SER 83 Cb 1.04 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1hek h SER 83 CO -0.41 -0.22 -0.16 0.00 -0.87 0.00 0.00 176.83 175.17 1hek h ALA 84 N -1.58 -0.31 -0.55 5.18 0.00 0.45 -1.81 119.26 120.64 1hek h ALA 84 Ca -0.05 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1hek h ALA 84 Cb 0.40 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1hek h ALA 84 CO 0.09 -0.40 -0.49 0.28 0.00 0.00 0.00 179.25 178.73 1hek h VAL 85 N -0.06 0.00 0.00 0.00 2.07 0.77 -2.42 116.25 116.61 1hek h VAL 85 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1hek h VAL 85 Cb 0.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1hek h VAL 85 CO -0.21 0.00 0.11 1.17 0.02 0.00 0.00 177.57 178.66 1hek n LYS 86 N -4.95 0.00 -0.19 1.57 4.81 0.21 -3.53 118.16 116.07 1hek n LYS 86 Ca -0.01 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.49 1hek n LYS 86 Cb 0.26 -1.00 0.14 0.00 0.02 0.00 0.00 35.03 34.46 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 1.82 3.35 3.44 3.14 0.00 -1.21 -3.40 105.19 112.34 1hek n GLY 88 Ca 0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.64 5.25 -0.34 0.99 0.20 -0.91 -4.98 118.68 117.25 1hek s LEU 89 Ca 0.24 -2.79 -0.27 0.00 0.69 0.00 0.00 54.13 51.99 1hek s LEU 89 Cb 0.17 -2.37 -0.05 0.00 -0.43 0.00 0.00 46.19 43.50 1hek s LEU 89 CO 0.09 -0.78 2.20 -1.10 -0.29 0.00 0.00 176.35 176.48 1hek s GLN 90 N 1.53 2.81 0.37 1.98 -0.21 -1.26 -3.90 119.66 120.98 1hek s GLN 90 Ca 0.38 1.68 0.08 0.00 0.02 0.00 0.00 55.36 57.51 1hek s GLN 90 Cb -0.04 -4.42 -0.04 0.00 1.00 0.00 0.00 33.01 29.51 1hek s GLN 90 CO -0.04 -2.47 0.24 -1.50 -2.12 0.00 0.00 175.29 169.40 1hek s ILE 91 N 9.38 2.92 -0.22 1.08 1.10 -1.26 -5.03 121.20 129.17 1hek s ILE 91 Ca 0.95 -1.54 0.14 0.00 -0.51 0.00 0.00 60.65 59.68 1hek s ILE 91 Cb -0.26 -3.03 0.48 0.00 0.15 0.00 0.00 42.46 39.81 1hek s ILE 91 CO 0.31 -0.11 1.39 0.59 -2.11 0.00 0.00 174.94 175.02 1hek n ASN 92 N -1.31 2.99 0.00 4.50 4.13 -1.26 -4.71 115.26 119.60 1hek n ASN 92 Ca -0.01 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 52.87 1hek n ASN 92 Cb 0.62 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1hek n ASN 92 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1hek n ASN 93 N -0.93 0.00 0.00 6.41 5.15 -1.26 -4.17 115.26 120.47 1hek n ASN 93 Ca 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1hek n ASN 93 Cb 0.91 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.16 1hek n ASN 93 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1hek n VAL 94 N -0.35 0.00 0.00 3.44 0.24 -1.24 -3.70 118.33 116.72 1hek n VAL 94 Ca 0.00 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1hek n VAL 94 Cb 0.00 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 1hek n VAL 94 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1hek n VAL 95 N 0.00 0.00 -1.66 3.34 0.31 -1.26 -2.99 118.33 116.07 1hek n VAL 95 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1hek n VAL 95 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1hek n VAL 95 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1hek s ASP 96 N -3.38 4.52 0.00 4.52 1.11 -1.24 -0.82 116.67 121.37 1hek s ASP 96 Ca 0.00 0.76 0.00 0.00 0.18 0.00 0.00 52.55 53.49 1hek s ASP 96 Cb 0.00 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.48 1hek s ASP 96 CO 0.00 -2.93 0.00 0.61 1.18 0.00 0.00 175.17 174.03 1hek n GLY 97 N 6.09 0.37 0.17 0.21 0.00 -1.16 -4.55 105.19 106.32 1hek n GLY 97 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.37 0.00 1.61 3.64 -1.20 -3.02 116.57 117.97 1hek h LYS 98 Ca 0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1hek h LYS 98 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1hek h LYS 98 CO 0.00 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.11 1hek n ALA 99 N -2.50 -0.05 -0.08 5.00 0.00 -1.26 -1.49 120.51 120.12 1hek n ALA 99 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1hek n ALA 99 Cb 0.69 0.11 0.09 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.97 -0.00 0.00 0.00 3.41 -1.22 0.13 113.62 114.97 1hek n SER 100 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1hek n SER 100 Cb 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.97 0.00 -0.13 7.33 7.35 -0.62 -0.81 117.46 126.61 1hek n PHE 101 Ca 0.07 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1hek n PHE 101 Cb 0.22 -0.31 0.02 0.00 0.35 0.00 0.00 39.48 39.76 1hek n PHE 101 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1hek n GLN 102 N -1.49 -0.07 -0.29 -4.13 6.02 0.35 0.31 117.38 118.07 1hek n GLN 102 Ca 0.00 0.52 -0.06 0.00 -0.01 0.00 0.00 57.00 57.46 1hek n GLN 102 Cb 0.00 -0.78 0.06 0.00 1.02 0.00 0.00 30.24 30.55 1hek n GLN 102 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1hek h LEU 103 N 0.00 1.10 -1.11 1.08 5.85 -1.28 -1.57 115.31 119.38 1hek h LEU 103 Ca 0.12 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1hek h LEU 103 Cb 0.21 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1hek h LEU 103 CO -0.34 0.98 -0.39 0.25 -0.34 0.00 0.00 178.44 178.60 1hek h LEU 104 N 1.16 0.00 0.00 2.25 7.12 0.69 -2.26 115.31 124.27 1hek h LEU 104 Ca 0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1hek h LEU 104 Cb 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1hek h LEU 104 CO -0.02 0.39 0.00 -1.14 -0.13 0.00 0.00 178.44 177.54 1hek n ARG 105 N -3.76 0.00 -0.32 1.25 0.63 0.38 -1.92 116.66 112.92 1hek n ARG 105 Ca -0.01 0.47 0.05 0.00 -0.92 0.00 0.00 57.85 57.44 1hek n ARG 105 Cb 0.47 -1.07 0.12 0.00 0.45 0.00 0.00 32.46 32.43 1hek n ARG 105 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hek n ALA 106 N -1.90 0.20 0.09 5.13 0.00 -0.63 0.23 120.51 123.63 1hek n ALA 106 Ca 0.00 0.97 -0.04 0.00 0.00 0.00 0.00 53.44 54.37 1hek n ALA 106 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1hek n ALA 106 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hek h LYS 107 N 0.00 -0.25 -0.04 0.00 3.64 -1.51 -3.16 116.57 115.25 1hek h LYS 107 Ca 0.42 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1hek h LYS 107 Cb 0.64 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1hek h LYS 107 CO -0.91 -0.17 0.00 0.66 -2.27 0.00 0.00 179.45 176.76 1hek n TYR 108 N -2.92 0.05 1.28 1.91 4.01 -0.57 -5.09 117.16 115.81 1hek n TYR 108 Ca -0.03 -0.02 0.13 0.00 -0.16 0.00 0.00 57.90 57.82 1hek n TYR 108 Cb 0.11 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.48 1hek n TYR 108 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49