#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ASP 2 N 0.00 4.06 0.00 3.42 2.15 -1.26 -5.00 116.67 120.05 3g6e s ASP 2 Ca 0.00 -1.46 0.23 0.00 0.43 0.00 0.00 52.55 51.75 3g6e s ASP 2 Cb 0.00 -1.21 0.55 0.00 -0.30 0.00 0.00 42.92 41.96 3g6e s ASP 2 CO 0.00 -0.30 1.48 0.18 -0.17 0.00 0.00 175.17 176.36 3g6e n LEU 3 N 4.62 3.64 0.25 -1.34 4.77 -1.26 -4.56 117.00 123.12 3g6e n LEU 3 Ca -0.07 -1.71 0.08 0.00 -0.03 0.00 0.00 56.01 54.28 3g6e n LEU 3 Cb 0.43 -0.37 0.62 0.00 -2.33 0.00 0.00 43.42 41.77 3g6e n LEU 3 CO 0.17 0.85 1.02 0.77 -1.33 0.00 0.00 177.39 178.88 3g6e h SER 4 N 4.30 0.00 -0.11 -1.43 4.64 -1.99 -1.78 113.55 117.17 3g6e h SER 4 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3g6e h SER 4 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3g6e h SER 4 CO 0.00 0.06 -0.65 0.00 -0.87 0.00 0.00 176.83 175.37 3g6e h ALA 5 N 1.94 0.47 -0.11 5.18 0.00 -2.00 -3.06 119.26 121.69 3g6e h ALA 5 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3g6e h ALA 5 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3g6e h ALA 5 CO 0.01 0.69 -0.42 1.96 0.00 0.00 0.00 179.25 181.49 3g6e h GLN 6 N 0.53 0.24 -0.42 0.00 7.50 -1.73 -2.62 115.11 118.60 3g6e h GLN 6 Ca -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 58.65 58.99 3g6e h GLN 6 Cb 1.25 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 3g6e h GLN 6 CO 0.13 0.62 0.14 0.87 -1.50 0.00 0.00 178.83 179.09 3g6e h LYS 7 N 0.20 0.61 -0.15 1.46 1.79 -1.25 0.39 116.57 119.62 3g6e h LYS 7 Ca 0.02 -0.09 -0.17 0.00 -2.18 0.00 0.00 60.65 58.22 3g6e h LYS 7 Cb 0.83 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.38 3g6e h LYS 7 CO 0.07 0.54 -0.58 -0.09 -1.08 0.00 0.00 179.45 178.30 3g6e h ARG 8 N 0.61 0.66 -0.31 3.15 2.43 -1.40 -2.62 114.38 116.89 3g6e h ARG 8 Ca 0.14 -0.51 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 3g6e h ARG 8 Cb 0.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3g6e h ARG 8 CO -0.01 1.13 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.33 3g6e h LEU 9 N 0.34 0.70 -1.38 3.80 3.38 -1.05 -2.80 115.31 118.29 3g6e h LEU 9 Ca -0.03 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3g6e h LEU 9 Cb 1.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3g6e h LEU 9 CO 0.12 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.74 3g6e h ALA 10 N 0.75 1.51 -0.11 1.53 0.00 -0.31 -0.04 119.26 122.59 3g6e h ALA 10 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3g6e h ALA 10 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3g6e h ALA 10 CO 0.05 0.37 -0.43 0.00 0.00 0.00 0.00 179.25 179.24 3g6e h ALA 11 N 1.60 1.06 0.15 0.00 0.00 -1.35 -0.64 119.26 120.08 3g6e h ALA 11 Ca 0.13 -0.43 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 3g6e h ALA 11 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g6e h ALA 11 CO -0.01 0.61 -1.44 0.22 0.00 0.00 0.00 179.25 178.63 3g6e h ASP 12 N 0.22 0.49 0.07 0.00 1.82 -1.11 -1.45 116.42 116.46 3g6e h ASP 12 Ca 0.02 -0.60 -0.00 0.00 -0.39 0.00 0.00 57.03 56.06 3g6e h ASP 12 Cb 0.86 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.71 3g6e h ASP 12 CO 0.07 1.48 -0.03 0.58 -1.61 0.00 0.00 179.24 179.73 3g6e h VAL 13 N 0.09 1.12 0.00 2.25 2.07 -0.92 -3.04 116.25 117.81 3g6e h VAL 13 Ca -0.22 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3g6e h VAL 13 Cb 2.03 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3g6e h VAL 13 CO 0.20 0.17 0.00 0.18 0.02 0.00 0.00 177.57 178.14 3g6e n LEU 14 N -4.99 0.28 -3.61 2.57 4.77 -0.26 -4.93 117.00 110.83 3g6e n LEU 14 Ca -0.08 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.17 3g6e n LEU 14 Cb 0.19 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3g6e n LEU 14 CO 0.33 -0.13 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.53 3g6e n ASP 15 N -1.77 -4.62 -4.00 -1.43 -0.08 -0.90 -5.02 116.55 98.72 3g6e n ASP 15 Ca 0.06 -0.92 -0.08 0.00 -1.51 0.00 0.00 54.79 52.34 3g6e n ASP 15 Cb 0.33 -3.86 -0.10 0.00 2.34 0.00 0.00 41.12 39.83 3g6e n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3g6e s VAL 16 N -3.51 0.17 0.47 5.18 1.01 -0.60 -5.04 120.40 118.08 3g6e s VAL 16 Ca 0.37 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 3g6e s VAL 16 Cb -0.11 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 3g6e s VAL 16 CO 0.83 -0.79 1.20 -0.83 0.00 0.00 0.00 175.10 175.51 3g6e s GLY 17 N -2.54 2.80 0.38 4.51 0.00 -1.26 -4.52 107.32 106.69 3g6e s GLY 17 Ca 0.01 1.00 0.15 0.00 0.00 0.00 0.00 44.72 45.88 3g6e s GLY 17 CO -0.08 1.47 1.78 0.50 0.00 0.00 0.00 173.10 176.77 3g6e h LYS 18 N 1.99 0.47 0.00 2.90 1.57 -1.90 -1.17 116.57 120.43 3g6e h LYS 18 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3g6e h LYS 18 Cb 1.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3g6e h LYS 18 CO 0.60 0.31 0.00 0.09 -0.57 0.00 0.00 179.45 179.88 3g6e n ASN 19 N -4.66 0.61 -0.31 0.86 3.02 -1.26 -2.84 115.26 110.69 3g6e n ASN 19 Ca 0.24 0.62 0.11 0.00 -0.03 0.00 0.00 54.58 55.52 3g6e n ASN 19 Cb 0.78 -0.76 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3g6e n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g6e n ARG 20 N -2.14 0.77 -3.01 3.52 1.74 -0.44 -4.90 116.66 112.20 3g6e n ARG 20 Ca 0.03 -0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 56.10 3g6e n ARG 20 Cb 0.28 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3g6e n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3g6e s VAL 21 N -2.65 5.01 -0.09 1.55 -7.23 -1.13 0.16 120.40 116.02 3g6e s VAL 21 Ca 0.16 1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 61.80 3g6e s VAL 21 Cb 0.18 -4.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 3g6e s VAL 21 CO 0.65 0.20 0.04 0.86 -0.31 0.00 0.00 175.10 176.54 3g6e s TRP 22 N 1.11 3.26 -0.06 2.82 -0.00 0.79 -4.95 118.94 121.92 3g6e s TRP 22 Ca 0.38 0.26 0.06 0.00 -0.00 0.00 0.00 56.10 56.80 3g6e s TRP 22 Cb -0.18 -1.81 -0.01 0.00 -0.00 0.00 0.00 33.47 31.47 3g6e s TRP 22 CO 0.17 0.53 -0.23 -0.06 -0.00 0.00 0.00 176.95 177.37 3g6e s PHE 23 N -0.94 2.25 -0.03 5.86 0.40 -1.26 -1.64 117.98 122.62 3g6e s PHE 23 Ca 0.14 -0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 55.50 3g6e s PHE 23 Cb -0.12 -1.49 -0.06 0.00 0.51 0.00 0.00 43.02 41.87 3g6e s PHE 23 CO 0.04 -0.21 1.55 1.21 0.70 0.00 0.00 175.22 178.50 3g6e s ASN 24 N -0.09 6.73 0.64 1.36 3.84 -0.78 -4.90 114.94 121.74 3g6e s ASN 24 Ca -0.04 2.20 0.41 0.00 0.21 0.00 0.00 52.86 55.63 3g6e s ASN 24 Cb -0.13 -2.55 2.23 0.00 -0.55 0.00 0.00 41.25 40.25 3g6e s ASN 24 CO 0.04 -0.85 2.31 -0.65 -2.79 0.00 0.00 177.10 175.16 3g6e h PRO 25 N 8.72 0.00 0.00 0.43 0.11 -1.99 -1.78 132.00 137.49 3g6e h PRO 25 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3g6e h PRO 25 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g6e h PRO 25 CO 0.94 0.01 -1.09 0.39 -0.21 0.00 0.00 178.00 178.03 3g6e n GLU 26 N -3.20 0.53 -0.88 1.05 1.02 -1.26 -4.18 120.64 113.72 3g6e n GLU 26 Ca -0.03 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 3g6e n GLU 26 Cb 0.10 -1.74 0.22 0.00 -0.02 0.00 0.00 31.44 30.00 3g6e n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g6e n ARG 27 N -2.46 2.35 -0.37 3.49 1.74 -0.68 -4.70 116.66 116.03 3g6e n ARG 27 Ca 0.00 -3.08 -0.00 0.00 -0.77 0.00 0.00 57.85 54.00 3g6e n ARG 27 Cb 0.52 -1.96 0.14 0.00 -1.02 0.00 0.00 32.46 30.14 3g6e n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g6e h GLN 28 N 1.35 1.26 -0.12 5.56 4.20 -1.71 -2.01 115.11 123.64 3g6e h GLN 28 Ca 0.29 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3g6e h GLN 28 Cb 2.01 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 3g6e h GLN 28 CO 0.58 0.83 -0.40 0.78 -0.67 0.00 0.00 178.83 179.95 3g6e h GLY 29 N 1.30 0.29 1.93 3.46 0.00 -1.93 -1.30 103.07 106.82 3g6e h GLY 29 Ca 0.39 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 3g6e h GLY 29 CO -0.11 0.25 -0.83 -0.55 0.00 0.00 0.00 176.54 175.29 3g6e h ASP 30 N 0.22 0.08 1.82 0.19 3.32 -1.80 -3.01 116.42 117.24 3g6e h ASP 30 Ca 0.02 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3g6e h ASP 30 Cb 0.81 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3g6e h ASP 30 CO 0.06 0.87 -0.15 0.40 -1.72 0.00 0.00 179.24 178.71 3g6e h ILE 31 N 0.03 0.26 -0.05 0.35 2.04 -1.20 -3.19 117.51 115.76 3g6e h ILE 31 Ca -0.02 -1.36 -0.15 0.00 1.00 0.00 0.00 64.86 64.34 3g6e h ILE 31 Cb 1.46 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 3g6e h ILE 31 CO 0.11 0.15 -0.63 0.00 0.00 0.00 0.00 178.15 177.78 3g6e h ALA 32 N 1.85 0.85 -0.00 1.87 0.00 -1.11 -2.76 119.26 119.95 3g6e h ALA 32 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3g6e h ALA 32 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3g6e h ALA 32 CO 0.02 0.76 -0.09 -0.25 0.00 0.00 0.00 179.25 179.69 3g6e n ASP 33 N -3.84 0.18 -4.55 0.00 8.00 -1.18 -4.72 116.55 110.44 3g6e n ASP 33 Ca -0.02 -0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.04 3g6e n ASP 33 Cb 0.63 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3g6e n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6e s ALA 34 N -2.75 2.48 -0.19 2.24 0.00 -1.04 -4.82 121.76 117.67 3g6e s ALA 34 Ca 0.22 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 3g6e s ALA 34 Cb 0.19 -4.29 -0.11 0.00 0.00 0.00 0.00 23.12 18.91 3g6e s ALA 34 CO 0.52 -3.59 -0.04 -0.89 0.00 0.00 0.00 175.76 171.76 3g6e n ILE 35 N 6.78 1.49 -2.42 0.00 2.08 -1.26 -4.85 119.36 121.17 3g6e n ILE 35 Ca 0.12 0.04 -0.24 0.00 0.56 0.00 0.00 62.75 63.23 3g6e n ILE 35 Cb 0.50 -2.18 0.05 0.00 -0.75 0.00 0.00 39.64 37.26 3g6e n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3g6e s THR 36 N -2.37 2.57 0.19 1.39 -4.23 -1.26 -5.00 115.64 106.92 3g6e s THR 36 Ca -0.25 -0.43 0.24 0.00 -1.18 0.00 0.00 61.69 60.07 3g6e s THR 36 Cb 0.05 -3.04 0.23 0.00 1.34 0.00 0.00 72.50 71.08 3g6e s THR 36 CO 0.43 -0.04 1.86 0.03 -0.54 0.00 0.00 174.62 176.36 3g6e h ARG 37 N -0.26 0.00 -0.00 3.99 3.08 -1.98 -2.47 114.38 116.74 3g6e h ARG 37 Ca -0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.44 3g6e h ARG 37 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3g6e h ARG 37 CO 0.57 0.23 -0.82 1.49 -1.07 0.00 0.00 179.97 180.36 3g6e h GLU 38 N 0.00 0.11 -0.16 0.04 4.57 -1.99 -2.11 114.58 115.04 3g6e h GLU 38 Ca -0.00 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 3g6e h GLU 38 Cb 0.69 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3g6e h GLU 38 CO 0.03 0.87 -0.44 -0.44 -1.18 0.00 0.00 179.01 177.85 3g6e h ASP 39 N 0.06 0.40 -0.16 1.04 3.32 -1.84 -2.25 116.42 116.99 3g6e h ASP 39 Ca -0.03 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 3g6e h ASP 39 Cb 1.43 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3g6e h ASP 39 CO 0.12 0.79 -0.45 0.58 -1.72 0.00 0.00 179.24 178.55 3g6e h VAL 40 N 0.31 1.34 -0.32 -1.35 2.07 -1.38 -2.60 116.25 114.30 3g6e h VAL 40 Ca 0.02 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.79 3g6e h VAL 40 Cb 0.89 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3g6e h VAL 40 CO 0.07 0.53 0.02 0.03 0.02 0.00 0.00 177.57 178.24 3g6e h ARG 41 N 0.25 0.49 -0.55 1.57 3.08 -1.29 0.18 114.38 118.11 3g6e h ARG 41 Ca -0.01 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 3g6e h ARG 41 Cb 1.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 3g6e h ARG 41 CO 0.10 0.51 -0.10 1.49 -1.07 0.00 0.00 179.97 180.89 3g6e h GLU 42 N 0.47 1.04 0.00 0.04 4.81 -1.39 -2.28 114.58 117.28 3g6e h GLU 42 Ca 0.11 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 3g6e h GLU 42 Cb 0.29 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3g6e h GLU 42 CO 0.01 1.08 -0.16 -0.07 -0.73 0.00 0.00 179.01 179.13 3g6e h LEU 43 N 0.93 0.00 -0.17 1.64 3.38 -0.96 -2.22 115.31 117.91 3g6e h LEU 43 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3g6e h LEU 43 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3g6e h LEU 43 CO 0.05 0.16 -0.47 0.58 0.09 0.00 0.00 178.44 178.85 3g6e h VAL 44 N 0.00 1.33 0.00 1.22 2.07 -0.71 -1.98 116.25 118.18 3g6e h VAL 44 Ca -0.00 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 3g6e h VAL 44 Cb 0.99 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3g6e h VAL 44 CO 0.02 0.53 -0.39 0.44 0.02 0.00 0.00 177.57 178.19 3g6e h ASP 45 N 0.29 0.00 1.10 0.57 3.32 -1.30 -1.97 116.42 118.43 3g6e h ASP 45 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3g6e h ASP 45 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3g6e h ASP 45 CO 0.10 0.39 0.00 -0.62 -1.72 0.00 0.00 179.24 177.39 3g6e n GLU 46 N -3.93 0.13 -0.53 3.56 1.02 -0.85 -4.90 120.64 115.14 3g6e n GLU 46 Ca -0.02 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3g6e n GLU 46 Cb 0.44 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3g6e n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g6e n GLY 47 N 1.03 0.94 0.27 0.62 0.00 -0.74 -4.94 105.19 102.37 3g6e n GLY 47 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3g6e n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e h ALA 48 N 0.00 0.82 -3.14 4.61 0.00 -1.59 -3.40 119.26 116.56 3g6e h ALA 48 Ca 0.00 -0.38 -0.67 0.00 0.00 0.00 0.00 54.91 53.86 3g6e h ALA 48 Cb 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 17.35 3g6e h ALA 48 CO 0.00 0.64 -0.69 0.42 0.00 0.00 0.00 179.25 179.62 3g6e s ILE 49 N -4.60 3.39 0.33 0.00 1.01 -0.94 -1.87 121.20 118.52 3g6e s ILE 49 Ca -0.10 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3g6e s ILE 49 Cb 0.13 -2.72 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 3g6e s ILE 49 CO 0.84 0.17 0.01 -1.10 0.00 0.00 0.00 174.94 174.87 3g6e s GLN 50 N 1.42 1.68 -0.12 2.79 -0.21 -0.65 -4.35 119.66 120.21 3g6e s GLN 50 Ca 0.02 -1.91 0.02 0.00 0.02 0.00 0.00 55.36 53.51 3g6e s GLN 50 Cb -0.17 -1.09 -0.00 0.00 1.00 0.00 0.00 33.01 32.75 3g6e s GLN 50 CO -0.01 -0.10 -0.21 0.00 -2.12 0.00 0.00 175.29 172.86 3g6e s ALA 51 N -3.10 2.30 0.65 6.09 0.00 -1.26 -0.15 121.76 126.30 3g6e s ALA 51 Ca 0.34 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3g6e s ALA 51 Cb 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3g6e s ALA 51 CO 0.15 0.16 1.07 0.21 0.00 0.00 0.00 175.76 177.35 3g6e s LYS 52 N 0.53 3.01 0.20 0.00 2.47 0.12 -4.96 119.74 121.12 3g6e s LYS 52 Ca -0.13 1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 3g6e s LYS 52 Cb -0.17 -1.99 -0.08 0.00 -1.46 0.00 0.00 37.83 34.13 3g6e s LYS 52 CO 0.05 -1.05 0.93 -0.51 0.16 0.00 0.00 175.35 174.93 3g6e s ASP 53 N -3.12 7.59 0.15 1.43 1.01 -1.26 -4.96 116.67 117.51 3g6e s ASP 53 Ca 0.62 1.89 -0.29 0.00 0.71 0.00 0.00 52.55 55.48 3g6e s ASP 53 Cb -0.16 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 3g6e s ASP 53 CO 0.45 0.11 0.92 -1.59 0.21 0.00 0.00 175.17 175.27 3g6e s LYS 54 N -0.91 4.73 0.54 8.23 -2.85 -1.26 -5.04 119.74 123.18 3g6e s LYS 54 Ca 0.42 1.41 -0.19 0.00 -1.00 0.00 0.00 55.97 56.60 3g6e s LYS 54 Cb -0.25 -3.33 -0.06 0.00 -2.06 0.00 0.00 37.83 32.12 3g6e s LYS 54 CO 0.31 0.35 1.10 0.21 0.10 0.00 0.00 175.35 177.42 3g6e s LYS 55 N -0.50 3.44 -0.03 1.78 2.20 -1.26 -5.06 119.74 120.31 3g6e s LYS 55 Ca 0.43 1.52 0.01 0.00 -0.36 0.00 0.00 55.97 57.57 3g6e s LYS 55 Cb -0.24 -2.03 0.02 0.00 -1.51 0.00 0.00 37.83 34.07 3g6e s LYS 55 CO 0.30 -0.76 -0.03 0.20 -0.36 0.00 0.00 175.35 174.69 3g6e s GLY 56 N -1.92 0.33 0.19 5.54 0.00 -1.26 -5.13 107.32 105.07 3g6e s GLY 56 Ca 0.71 -0.03 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 3g6e s GLY 56 CO 0.26 0.31 1.38 -1.31 0.00 0.00 0.00 173.10 173.74 3g6e s ASN 57 N 0.65 6.80 -0.00 1.64 -0.87 -1.26 -4.97 114.94 116.93 3g6e s ASN 57 Ca -0.08 2.47 -0.30 0.00 -1.57 0.00 0.00 52.86 53.38 3g6e s ASN 57 Cb -0.11 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.46 3g6e s ASN 57 CO -0.00 -0.62 1.40 -0.44 -2.57 0.00 0.00 177.10 174.86 3g6e s SER 58 N 0.57 6.86 0.00 -1.22 0.01 -1.26 -4.91 113.70 113.74 3g6e s SER 58 Ca 0.60 2.11 0.23 0.00 1.31 0.00 0.00 55.95 60.20 3g6e s SER 58 Cb -0.38 -2.56 0.60 0.00 0.21 0.00 0.00 66.02 63.89 3g6e s SER 58 CO 0.37 -0.72 1.51 0.54 0.41 0.00 0.00 173.24 175.36 3g6e n ARG 59 N 5.35 2.66 -0.07 12.44 1.74 -1.26 -4.59 116.66 132.94 3g6e n ARG 59 Ca 0.13 -2.56 -0.09 0.00 -0.77 0.00 0.00 57.85 54.55 3g6e n ARG 59 Cb 0.44 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 3g6e n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3g6e h GLY 60 N 4.43 0.36 1.95 -0.13 0.00 -1.99 0.12 103.07 107.81 3g6e h GLY 60 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3g6e h GLY 60 CO 0.00 0.13 -0.34 3.21 0.00 0.00 0.00 176.54 179.54 3g6e h ARG 61 N 0.34 0.06 -0.11 4.80 3.08 -2.01 -2.39 114.38 118.15 3g6e h ARG 61 Ca 0.10 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.89 3g6e h ARG 61 Cb -0.03 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3g6e h ARG 61 CO -0.03 0.39 -0.84 0.00 -1.07 0.00 0.00 179.97 178.43 3g6e h ALA 62 N 1.61 0.25 -0.74 0.04 0.00 -1.75 -2.99 119.26 115.68 3g6e h ALA 62 Ca 0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3g6e h ALA 62 Cb 0.62 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3g6e h ALA 62 CO 0.05 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.28 3g6e h ARG 63 N 0.48 1.08 -0.46 0.00 3.08 -0.47 0.36 114.38 118.44 3g6e h ARG 63 Ca -0.07 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 3g6e h ARG 63 Cb 1.48 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3g6e h ARG 63 CO 0.17 0.86 -0.08 0.93 -1.07 0.00 0.00 179.97 180.78 3g6e h GLU 64 N 1.06 0.81 -0.19 0.04 5.08 -1.47 -2.31 114.58 117.61 3g6e h GLU 64 Ca 0.25 -0.26 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 3g6e h GLU 64 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3g6e h GLU 64 CO -0.03 0.87 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.18 3g6e h ARG 65 N 0.74 0.62 -0.05 2.33 2.43 -1.27 -2.78 114.38 116.40 3g6e h ARG 65 Ca 0.13 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.82 3g6e h ARG 65 Cb 0.56 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3g6e h ARG 65 CO 0.03 1.03 -0.27 1.96 -1.51 0.00 0.00 179.97 181.21 3g6e h GLN 66 N 0.47 0.09 -0.13 0.20 4.20 -0.72 -1.82 115.11 117.40 3g6e h GLN 66 Ca 0.00 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 3g6e h GLN 66 Cb 1.15 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.93 3g6e h GLN 66 CO 0.11 0.36 -0.66 0.87 -0.67 0.00 0.00 178.83 178.84 3g6e h LYS 67 N 0.08 0.67 -0.52 1.46 1.57 -1.24 -1.87 116.57 116.71 3g6e h LYS 67 Ca 0.01 -0.55 -0.12 0.00 -1.87 0.00 0.00 60.65 58.12 3g6e h LYS 67 Cb 0.53 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3g6e h LYS 67 CO 0.04 1.17 -0.13 0.87 -0.57 0.00 0.00 179.45 180.82 3g6e h LYS 68 N 0.34 1.00 0.00 3.15 1.79 -1.31 -2.21 116.57 119.33 3g6e h LYS 68 Ca -0.05 -0.38 -0.12 0.00 -2.18 0.00 0.00 60.65 57.92 3g6e h LYS 68 Cb 1.30 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 3g6e h LYS 68 CO 0.14 1.06 -0.57 0.00 -1.08 0.00 0.00 179.45 178.99 3g6e h ARG 69 N 0.89 0.00 0.00 3.15 3.08 -1.37 0.20 114.38 120.32 3g6e h ARG 69 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 3g6e h ARG 69 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3g6e h ARG 69 CO 0.05 0.57 -0.65 0.00 -1.07 0.00 0.00 179.97 178.88 3g6e h ALA 70 N 1.43 0.80 -0.00 0.04 0.00 -1.19 -2.70 119.26 117.64 3g6e h ALA 70 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3g6e h ALA 70 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3g6e h ALA 70 CO 0.07 0.81 -0.15 0.98 0.00 0.00 0.00 179.25 180.97 3g6e n TYR 71 N -3.58 0.00 0.00 0.00 9.36 -0.85 -4.93 117.16 117.17 3g6e n TYR 71 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3g6e n TYR 71 Cb 0.68 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 3g6e n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3g6e n GLY 72 N 1.39 0.51 3.97 2.98 0.00 -0.91 -5.08 105.19 108.06 3g6e n GLY 72 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3g6e n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g6e s HIS 73 N -2.00 2.40 -1.46 1.61 3.76 0.64 -4.50 115.29 115.73 3g6e s HIS 73 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 3g6e s HIS 73 Cb 0.00 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.74 3g6e s HIS 73 CO 0.00 -1.30 0.00 1.04 -0.85 0.00 0.00 174.74 173.63 3g6e n GLN 74 N -2.65 -1.79 -0.84 1.40 6.02 -1.26 -3.68 117.38 114.58 3g6e n GLN 74 Ca 0.11 0.82 0.05 0.00 -0.01 0.00 0.00 57.00 57.97 3g6e n GLN 74 Cb 0.60 -5.34 0.13 0.00 1.02 0.00 0.00 30.24 26.65 3g6e n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3g6e n LYS 75 N -2.61 0.96 -1.51 -1.09 5.02 -1.26 -4.88 118.16 112.78 3g6e n LYS 75 Ca -0.18 -2.69 -0.30 0.00 -2.02 0.00 0.00 58.31 53.13 3g6e n LYS 75 Cb 0.60 -1.02 0.20 0.00 -0.02 0.00 0.00 35.03 34.79 3g6e n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3g6e s GLY 76 N -2.68 1.66 0.58 0.72 0.00 -1.26 -4.80 107.32 101.54 3g6e s GLY 76 Ca 0.34 -0.96 0.28 0.00 0.00 0.00 0.00 44.72 44.38 3g6e s GLY 76 CO -0.09 -0.19 1.99 0.00 0.00 0.00 0.00 173.10 174.82 3g6e h ALA 77 N -1.98 2.10 -0.01 3.20 0.00 -1.98 -0.39 119.26 120.21 3g6e h ALA 77 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3g6e h ALA 77 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3g6e h ALA 77 CO 0.42 -0.54 -0.05 0.41 0.00 0.00 0.00 179.25 179.48 3g6e n GLY 78 N -1.50 -0.66 0.00 0.00 0.00 -1.26 -3.65 105.19 98.13 3g6e n GLY 78 Ca 0.06 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3g6e n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g6e n SER 79 N -0.62 1.04 -4.73 1.61 7.64 -0.17 -4.99 113.62 113.41 3g6e n SER 79 Ca 0.18 -0.54 -0.41 0.00 1.01 0.00 0.00 58.87 59.12 3g6e n SER 79 Cb 0.26 1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 64.53 3g6e n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3g6e s ARG 80 N -2.08 4.52 -0.03 1.43 0.52 -1.16 -4.94 118.95 117.22 3g6e s ARG 80 Ca 0.02 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 56.39 3g6e s ARG 80 Cb 0.07 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 3g6e s ARG 80 CO 0.39 0.12 -0.01 1.17 0.02 0.00 0.00 175.30 176.99 3g6e n LYS 81 N 3.37 1.57 -2.31 3.54 3.00 -1.26 -5.03 118.16 121.04 3g6e n LYS 81 Ca 0.01 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.05 3g6e n LYS 81 Cb 0.51 -1.06 0.02 0.00 0.00 0.00 0.00 35.03 34.50 3g6e n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3g6e s GLY 82 N -3.86 1.59 0.90 3.14 0.00 -1.26 -5.07 107.32 102.75 3g6e s GLY 82 Ca -0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 44.72 44.04 3g6e s GLY 82 CO 0.08 -0.27 1.10 1.25 0.00 0.00 0.00 173.10 175.26 3g6e s LYS 83 N -5.01 1.26 0.12 2.90 2.47 -1.26 -4.81 119.74 115.40 3g6e s LYS 83 Ca 0.53 0.62 -0.28 0.00 -1.56 0.00 0.00 55.97 55.29 3g6e s LYS 83 Cb -0.11 -1.82 -0.06 0.00 -1.46 0.00 0.00 37.83 34.38 3g6e s LYS 83 CO 0.47 -2.19 1.61 0.00 0.16 0.00 0.00 175.35 175.40 3g6e h ALA 84 N -1.51 -0.50 0.00 3.13 0.00 -1.97 -2.08 119.26 116.33 3g6e h ALA 84 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3g6e h ALA 84 Cb 1.30 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3g6e h ALA 84 CO 0.58 -0.85 0.00 0.41 0.00 0.00 0.00 179.25 179.39 3g6e n GLY 85 N -1.42 -0.78 0.11 0.00 0.00 -1.26 -1.72 105.19 100.13 3g6e n GLY 85 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 3g6e n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e h ALA 86 N 2.52 0.51 -0.01 4.61 0.00 -1.75 -3.26 119.26 121.88 3g6e h ALA 86 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 54.91 53.38 3g6e h ALA 86 Cb 0.15 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3g6e h ALA 86 CO 0.00 1.37 -0.75 0.00 0.00 0.00 0.00 179.25 179.87 3g6e h ARG 87 N 0.05 0.11 -2.37 0.00 3.08 -0.79 -3.43 114.38 111.03 3g6e h ARG 87 Ca -0.34 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.41 3g6e h ARG 87 Cb 2.03 0.03 -0.31 0.00 0.08 0.00 0.00 29.97 31.79 3g6e h ARG 87 CO 0.10 0.81 -0.51 -1.14 -1.07 0.00 0.00 179.97 178.16 3g6e s GLN 88 N -3.38 0.26 -0.13 0.04 0.74 -0.92 -5.13 119.66 111.14 3g6e s GLN 88 Ca -0.02 0.59 -0.29 0.00 0.05 0.00 0.00 55.36 55.68 3g6e s GLN 88 Cb 0.11 -0.42 -0.04 0.00 1.10 0.00 0.00 33.01 33.76 3g6e s GLN 88 CO 0.80 -0.50 1.63 1.21 -0.55 0.00 0.00 175.29 177.88 3g6e s ASN 89 N 2.47 6.53 0.45 6.67 3.04 -1.23 -4.24 114.94 128.64 3g6e s ASN 89 Ca 0.06 1.94 0.11 0.00 0.04 0.00 0.00 52.86 55.01 3g6e s ASN 89 Cb -0.14 -2.53 1.02 0.00 -1.54 0.00 0.00 41.25 38.06 3g6e s ASN 89 CO -0.13 -1.08 2.08 0.77 -3.04 0.00 0.00 177.10 175.70 3g6e h SER 90 N 10.10 0.30 -0.22 -4.21 4.64 -1.94 -1.29 113.55 120.93 3g6e h SER 90 Ca -0.36 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 60.75 3g6e h SER 90 Cb 1.16 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3g6e h SER 90 CO 0.97 0.21 -0.67 0.50 -0.87 0.00 0.00 176.83 176.97 3g6e h LYS 91 N 0.35 0.84 0.00 4.77 3.11 -1.97 -2.17 116.57 121.50 3g6e h LYS 91 Ca 0.12 -0.61 -0.09 0.00 -2.81 0.00 0.00 60.65 57.25 3g6e h LYS 91 Cb 0.04 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 3g6e h LYS 91 CO -0.03 1.23 -0.44 0.93 -2.81 0.00 0.00 179.45 178.34 3g6e h GLU 92 N 0.61 0.00 -0.00 1.90 5.08 -1.83 -1.67 114.58 118.67 3g6e h GLU 92 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3g6e h GLU 92 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3g6e h GLU 92 CO 0.14 0.44 -0.85 0.22 -1.00 0.00 0.00 179.01 177.96 3g6e h ASP 93 N 0.00 0.22 0.43 1.42 3.58 -1.16 -1.94 116.42 118.97 3g6e h ASP 93 Ca -0.00 -0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.10 3g6e h ASP 93 Cb 0.79 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 3g6e h ASP 93 CO 0.06 0.97 -0.71 -0.25 -2.88 0.00 0.00 179.24 176.42 3g6e h TRP 94 N 0.10 0.33 -0.34 0.28 2.91 -1.10 -0.95 115.95 117.17 3g6e h TRP 94 Ca -0.04 -0.15 -0.13 0.00 1.13 0.00 0.00 58.89 59.71 3g6e h TRP 94 Cb 1.46 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 30.05 3g6e h TRP 94 CO 0.02 0.87 -0.32 0.93 -1.03 0.00 0.00 178.44 178.91 3g6e h GLU 95 N 0.16 0.74 -0.04 2.65 5.08 -1.19 -0.66 114.58 121.32 3g6e h GLU 95 Ca -0.02 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3g6e h GLU 95 Cb 1.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3g6e h GLU 95 CO 0.11 0.96 -0.02 1.03 -1.00 0.00 0.00 179.01 180.09 3g6e h SER 96 N 0.62 0.08 -0.28 1.42 0.87 -1.23 -2.69 113.55 112.35 3g6e h SER 96 Ca 0.07 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 3g6e h SER 96 Cb 0.85 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 3g6e h SER 96 CO 0.07 0.50 0.07 0.03 -0.53 0.00 0.00 176.83 176.98 3g6e h ARG 97 N -0.34 0.45 0.00 2.24 3.08 -1.15 -2.80 114.38 115.86 3g6e h ARG 97 Ca 0.01 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3g6e h ARG 97 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3g6e h ARG 97 CO 0.01 0.54 -0.53 0.97 -1.07 0.00 0.00 179.97 179.88 3g6e h ILE 98 N 0.29 1.02 -0.11 2.04 -0.00 -1.20 -2.40 117.51 117.15 3g6e h ILE 98 Ca 0.09 -2.10 -0.19 0.00 -0.00 0.00 0.00 64.86 62.66 3g6e h ILE 98 Cb 0.29 2.27 -0.00 0.00 -0.00 0.00 0.00 36.82 39.37 3g6e h ILE 98 CO 0.00 0.52 -0.70 0.03 -0.00 0.00 0.00 178.15 178.00 3g6e h ARG 99 N 0.00 0.50 -0.31 2.19 3.08 -1.50 -1.71 114.38 116.64 3g6e h ARG 99 Ca -0.01 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 3g6e h ARG 99 Cb 1.23 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3g6e h ARG 99 CO 0.07 1.02 -0.31 0.00 -1.07 0.00 0.00 179.97 179.68 3g6e h ALA 100 N 0.88 0.89 -0.00 0.04 0.00 -1.43 -1.35 119.26 118.29 3g6e h ALA 100 Ca -0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 3g6e h ALA 100 Cb 1.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3g6e h ALA 100 CO 0.13 0.63 -0.77 1.96 0.00 0.00 0.00 179.25 181.19 3g6e h GLN 101 N 0.55 0.06 0.00 0.00 4.20 -1.36 -2.45 115.11 116.12 3g6e h GLN 101 Ca 0.07 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3g6e h GLN 101 Cb 0.80 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3g6e h GLN 101 CO 0.07 0.80 -0.42 0.00 -0.67 0.00 0.00 178.83 178.61 3g6e h ARG 102 N 0.04 0.00 0.19 1.46 3.08 -1.09 -2.88 114.38 115.19 3g6e h ARG 102 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.73 3g6e h ARG 102 Cb 1.36 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.44 3g6e h ARG 102 CO 0.11 0.42 -1.37 1.15 -1.07 0.00 0.00 179.97 179.20 3g6e h THR 103 N 0.00 1.38 -0.53 2.04 2.02 -1.20 -2.80 112.91 113.82 3g6e h THR 103 Ca -0.00 -2.88 -0.05 0.00 0.77 0.00 0.00 66.41 64.25 3g6e h THR 103 Cb 1.30 3.00 -0.02 0.00 -1.74 0.00 0.00 68.15 70.68 3g6e h THR 103 CO 0.05 0.85 0.13 0.50 0.37 0.00 0.00 175.52 177.43 3g6e h LYS 104 N 0.11 0.85 0.00 6.66 1.63 -1.47 -1.34 116.57 123.02 3g6e h LYS 104 Ca -0.20 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.33 3g6e h LYS 104 Cb 2.08 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.59 3g6e h LYS 104 CO 0.24 0.81 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.67 3g6e h LEU 105 N 0.75 0.00 0.00 5.20 3.38 -1.59 -2.11 115.31 120.94 3g6e h LEU 105 Ca 0.17 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 3g6e h LEU 105 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3g6e h LEU 105 CO 0.00 0.31 -0.86 0.03 0.09 0.00 0.00 178.44 178.02 3g6e h ARG 106 N 0.00 0.00 -0.00 1.13 3.08 -1.17 -2.92 114.38 114.49 3g6e h ARG 106 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3g6e h ARG 106 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3g6e h ARG 106 CO 0.04 0.84 -0.95 0.93 -1.07 0.00 0.00 179.97 179.76 3g6e h GLU 107 N 0.00 0.45 0.00 0.04 5.08 -0.97 -2.64 114.58 116.54 3g6e h GLU 107 Ca -0.01 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3g6e h GLU 107 Cb 1.66 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.04 3g6e h GLU 107 CO 0.11 1.13 0.00 1.28 -1.00 0.00 0.00 179.01 180.53 3g6e n LEU 108 N -3.76 0.53 0.01 1.33 4.77 -0.82 -1.92 117.00 117.14 3g6e n LEU 108 Ca -0.07 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.30 3g6e n LEU 108 Cb 0.84 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 3g6e n LEU 108 CO 0.52 -0.29 -0.72 -0.09 -1.33 0.00 0.00 177.39 175.48 3g6e h ARG 109 N 0.00 0.23 0.00 3.23 2.43 -1.46 -1.62 114.38 117.19 3g6e h ARG 109 Ca 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3g6e h ARG 109 Cb 0.51 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3g6e h ARG 109 CO 0.00 1.10 0.00 -0.25 -1.51 0.00 0.00 179.97 179.31 3g6e n ASP 110 N -3.42 0.11 -0.00 -3.80 9.92 -1.00 -2.51 116.55 115.85 3g6e n ASP 110 Ca -0.28 0.52 0.03 0.00 -0.53 0.00 0.00 54.79 54.53 3g6e n ASP 110 Cb 1.05 -0.55 -0.12 0.00 -0.64 0.00 0.00 41.12 40.86 3g6e n ASP 110 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3g6e n GLU 111 N -1.61 0.65 -0.31 -1.24 2.13 -0.81 -4.99 120.64 114.46 3g6e n GLU 111 Ca 0.05 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3g6e n GLU 111 Cb 0.28 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3g6e n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g6e n GLY 112 N 1.40 0.68 0.30 8.31 0.00 -1.04 -4.96 105.19 109.88 3g6e n GLY 112 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3g6e n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g6e h THR 113 N 0.00 1.25 -4.20 2.61 2.02 -1.66 -3.43 112.91 109.50 3g6e h THR 113 Ca 0.00 -0.81 -0.69 0.00 0.77 0.00 0.00 66.41 65.67 3g6e h THR 113 Cb 0.00 0.50 -0.25 0.00 -1.74 0.00 0.00 68.15 66.66 3g6e h THR 113 CO 0.00 0.32 -0.81 -0.76 0.37 0.00 0.00 175.52 174.64 3g6e s LEU 114 N -9.69 2.50 0.56 2.58 1.43 -0.67 -5.05 118.68 110.34 3g6e s LEU 114 Ca -0.13 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3g6e s LEU 114 Cb 0.14 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3g6e s LEU 114 CO 0.82 0.32 0.87 -0.94 0.23 0.00 0.00 176.35 177.66 3g6e s SER 115 N -0.82 5.86 0.27 2.29 1.04 -1.26 -4.50 113.70 116.58 3g6e s SER 115 Ca 0.12 0.84 0.19 0.00 0.48 0.00 0.00 55.95 57.58 3g6e s SER 115 Cb -0.10 -1.94 1.01 0.00 0.10 0.00 0.00 66.02 65.08 3g6e s SER 115 CO 0.01 -0.89 1.58 -1.54 0.98 0.00 0.00 173.24 173.38 3g6e n SER 116 N -2.49 0.49 0.01 7.02 3.41 -1.26 -0.85 113.62 119.95 3g6e n SER 116 Ca 0.03 0.72 -0.19 0.00 -0.26 0.00 0.00 58.87 59.18 3g6e n SER 116 Cb 0.56 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 3g6e n SER 116 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3g6e h SER 117 N 0.00 0.35 0.21 4.04 4.64 -2.00 -3.23 113.55 117.57 3g6e h SER 117 Ca 0.00 -0.77 -0.22 0.00 -0.47 0.00 0.00 61.79 60.33 3g6e h SER 117 Cb 0.03 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3g6e h SER 117 CO 0.00 1.69 -0.89 1.56 -0.87 0.00 0.00 176.83 178.32 3g6e h GLN 118 N 0.06 0.50 -0.04 4.77 4.20 -1.62 -3.04 115.11 119.94 3g6e h GLN 118 Ca -0.39 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 57.83 3g6e h GLN 118 Cb 2.04 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.94 3g6e h GLN 118 CO 0.09 1.13 0.03 -0.92 -0.67 0.00 0.00 178.83 178.49 3g6e h TYR 119 N 0.30 0.06 -0.75 2.96 3.20 -1.16 -2.21 116.97 119.36 3g6e h TYR 119 Ca -0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.82 3g6e h TYR 119 Cb 1.52 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 3g6e h TYR 119 CO 0.07 0.10 0.50 -0.09 -1.64 0.00 0.00 178.16 177.09 3g6e h ARG 120 N 0.00 0.92 -0.35 1.82 9.65 -1.60 0.25 114.38 125.07 3g6e h ARG 120 Ca 0.02 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 58.69 3g6e h ARG 120 Cb 0.06 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 3g6e h ARG 120 CO -0.00 0.61 -0.36 0.22 2.80 0.00 0.00 179.97 183.23 3g6e h ASP 121 N 0.94 0.85 0.70 -3.80 1.82 -1.39 -2.47 116.42 113.09 3g6e h ASP 121 Ca 0.29 -0.38 -0.24 0.00 -0.39 0.00 0.00 57.03 56.31 3g6e h ASP 121 Cb 0.00 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 3g6e h ASP 121 CO -0.08 1.13 -1.11 -0.07 -1.61 0.00 0.00 179.24 177.50 3g6e h LEU 122 N 0.67 0.30 -0.15 2.28 3.38 -0.77 -3.05 115.31 117.96 3g6e h LEU 122 Ca 0.06 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3g6e h LEU 122 Cb 0.92 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3g6e h LEU 122 CO 0.08 1.21 0.00 0.22 0.09 0.00 0.00 178.44 180.05 3g6e h TYR 123 N 0.07 0.29 -0.00 1.13 3.20 -0.53 -1.33 116.97 119.80 3g6e h TYR 123 Ca -0.09 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 3g6e h TYR 123 Cb 1.83 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.02 3g6e h TYR 123 CO 0.04 0.48 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.35 3g6e h ASP 124 N 0.01 0.01 0.58 -2.11 3.32 -1.54 -0.89 116.42 115.79 3g6e h ASP 124 Ca 0.04 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 3g6e h ASP 124 Cb 0.36 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3g6e h ASP 124 CO 0.01 0.25 -0.97 0.11 -1.72 0.00 0.00 179.24 176.92 3g6e h LYS 125 N 0.01 0.23 -0.23 3.56 1.57 -1.41 -2.48 116.57 117.82 3g6e h LYS 125 Ca -0.00 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.34 3g6e h LYS 125 Cb 0.44 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3g6e h LYS 125 CO 0.03 1.03 -0.46 0.00 -0.57 0.00 0.00 179.45 179.49 3g6e h ALA 126 N 0.86 0.76 0.00 3.86 0.00 -0.78 -1.47 119.26 122.49 3g6e h ALA 126 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3g6e h ALA 126 Cb 1.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3g6e h ALA 126 CO 0.15 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.48 3g6e n GLY 127 N 0.10 -1.27 0.57 0.00 0.00 -0.38 -1.84 105.19 102.37 3g6e n GLY 127 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.01 3g6e n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 128 N 0.86 0.22 1.92 -0.02 0.00 -0.85 -5.00 105.19 102.32 3g6e n GLY 128 Ca 0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 3g6e n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 129 N 1.28 0.35 0.11 -0.02 0.00 -0.77 -4.98 105.19 101.16 3g6e n GLY 129 Ca 0.09 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.84 3g6e n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g6e h GLU 130 N -0.69 0.00 -5.22 1.61 4.39 -1.50 -3.46 114.58 109.71 3g6e h GLU 130 Ca -0.17 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.87 3g6e h GLU 130 Cb 1.11 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.48 3g6e h GLU 130 CO 0.16 0.09 -0.77 -0.06 -1.16 0.00 0.00 179.01 177.27 3g6e s PHE 131 N -3.23 2.83 0.03 4.33 0.40 -1.26 -5.03 117.98 116.05 3g6e s PHE 131 Ca -0.01 -0.82 -0.21 0.00 -0.60 0.00 0.00 56.93 55.29 3g6e s PHE 131 Cb 0.09 -1.90 -0.16 0.00 0.51 0.00 0.00 43.02 41.56 3g6e s PHE 131 CO 0.79 -0.35 1.31 -0.44 0.70 0.00 0.00 175.22 177.23 3g6e h ASP 132 N 7.13 0.35 -2.62 1.36 3.32 -1.90 -3.48 116.42 120.59 3g6e h ASP 132 Ca -0.31 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.15 3g6e h ASP 132 Cb 1.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3g6e h ASP 132 CO 0.57 0.79 -0.08 -1.54 -1.72 0.00 0.00 179.24 177.26 3g6e n SER 133 N -4.56 0.29 0.06 6.45 3.41 -1.26 -5.02 113.62 112.98 3g6e n SER 133 Ca -0.07 -1.36 -0.16 0.00 -0.26 0.00 0.00 58.87 57.03 3g6e n SER 133 Cb 0.37 0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 3g6e n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3g6e h VAL 134 N 1.15 1.36 -0.18 -3.33 2.07 -1.92 -3.04 116.25 112.36 3g6e h VAL 134 Ca -0.04 -2.37 -0.05 0.00 0.82 0.00 0.00 66.70 65.05 3g6e h VAL 134 Cb 0.20 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3g6e h VAL 134 CO 0.07 0.72 -0.12 0.00 0.02 0.00 0.00 177.57 178.25 3g6e h ALA 135 N 0.62 1.45 0.00 1.67 0.00 -1.99 -1.23 119.26 119.79 3g6e h ALA 135 Ca -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3g6e h ALA 135 Cb 1.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3g6e h ALA 135 CO 0.18 0.38 -0.19 0.22 0.00 0.00 0.00 179.25 179.85 3g6e h ASP 136 N 0.28 0.00 0.04 0.00 3.58 -1.95 -2.14 116.42 116.24 3g6e h ASP 136 Ca 0.06 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 3g6e h ASP 136 Cb 0.40 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.45 3g6e h ASP 136 CO 0.02 0.19 -0.37 0.25 -2.88 0.00 0.00 179.24 176.45 3g6e h LEU 137 N 0.00 0.25 -1.61 2.28 5.85 -1.18 -3.15 115.31 117.75 3g6e h LEU 137 Ca -0.00 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.80 3g6e h LEU 137 Cb 0.95 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3g6e h LEU 137 CO 0.02 1.13 0.10 -0.33 -0.34 0.00 0.00 178.44 179.02 3g6e h GLU 138 N -0.59 0.35 0.00 1.25 5.08 -1.22 -0.88 114.58 118.56 3g6e h GLU 138 Ca -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3g6e h GLU 138 Cb 1.22 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3g6e h GLU 138 CO 0.07 0.30 -0.13 0.00 -1.00 0.00 0.00 179.01 178.24 3g6e h ARG 139 N 0.35 0.00 0.09 2.33 3.08 -1.45 -2.26 114.38 116.53 3g6e h ARG 139 Ca 0.09 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.82 3g6e h ARG 139 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3g6e h ARG 139 CO -0.01 0.13 -1.70 -0.92 -1.07 0.00 0.00 179.97 176.41 3g6e h TYR 140 N 0.00 0.36 -0.44 3.04 3.20 -1.15 -3.36 116.97 118.62 3g6e h TYR 140 Ca -0.00 -0.26 -0.08 0.00 3.14 0.00 0.00 58.73 61.53 3g6e h TYR 140 Cb 0.69 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3g6e h TYR 140 CO 0.00 1.41 -0.03 0.82 -1.64 0.00 0.00 178.16 178.72 3g6e h ILE 141 N 0.05 1.27 -0.35 1.81 2.04 -1.20 -3.17 117.51 117.96 3g6e h ILE 141 Ca -0.30 -1.09 -0.47 0.00 1.00 0.00 0.00 64.86 63.99 3g6e h ILE 141 Cb 2.02 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.12 3g6e h ILE 141 CO 0.12 0.37 1.49 0.47 0.00 0.00 0.00 178.15 180.61 3g6e n ASP 142 N -4.36 6.98 0.00 1.72 8.00 -0.86 -5.12 116.55 122.90 3g6e n ASP 142 Ca -0.00 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.77 3g6e n ASP 142 Cb 0.32 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 3g6e n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81