#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael n PHE 2 N 0.00 1.00 -4.09 0.00 1.16 -1.26 -4.89 117.46 109.37 1ael n PHE 2 Ca 0.00 0.32 -0.08 0.00 -1.87 0.00 0.00 57.45 55.82 1ael n PHE 2 Cb 0.00 -2.47 -0.10 0.00 -1.61 0.00 0.00 39.48 35.30 1ael n PHE 2 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1ael s ASP 3 N 9.48 0.55 0.19 5.98 -4.77 -1.22 -4.55 116.67 122.33 1ael s ASP 3 Ca 1.20 -0.96 0.00 0.00 -3.30 0.00 0.00 52.55 49.49 1ael s ASP 3 Cb -0.91 0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.10 1ael s ASP 3 CO 0.44 -0.56 0.00 0.61 0.70 0.00 0.00 175.17 176.36 1ael n GLY 4 N 0.22 -2.03 3.43 2.12 0.00 0.16 -4.68 105.19 104.41 1ael n GLY 4 Ca -0.15 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1ael n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 5 N -1.32 1.68 0.00 2.61 -4.23 -1.26 0.84 115.64 113.96 1ael s THR 5 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ael s THR 5 Cb 0.00 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1ael s THR 5 CO 0.00 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 174.87 1ael n TRP 6 N -5.16 0.00 0.00 3.99 5.03 -1.26 -3.79 117.44 116.25 1ael n TRP 6 Ca 0.07 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.60 1ael n TRP 6 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.85 1ael n TRP 6 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ael n LYS 7 N -0.11 0.00 -2.83 -0.99 5.02 -1.26 -1.89 118.16 116.09 1ael n LYS 7 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1ael n LYS 7 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1ael n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ael n VAL 8 N 0.00 0.01 -0.26 -0.18 0.31 -1.11 -3.53 118.33 113.56 1ael n VAL 8 Ca 0.00 -2.33 0.14 0.00 -0.01 0.00 0.00 64.34 62.15 1ael n VAL 8 Cb 0.00 0.97 0.28 0.00 -0.91 0.00 0.00 33.84 34.18 1ael n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 9 N 0.21 -0.01 -4.04 4.52 -0.08 0.27 -4.55 116.55 112.87 1ael n ASP 9 Ca 0.10 1.30 -0.24 0.00 -1.51 0.00 0.00 54.79 54.45 1ael n ASP 9 Cb 0.71 -0.51 -0.08 0.00 2.34 0.00 0.00 41.12 43.58 1ael n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ael s ARG 10 N -5.58 1.84 -0.25 -0.67 3.03 -0.91 -5.00 118.95 111.42 1ael s ARG 10 Ca -0.09 -2.10 -0.04 0.00 2.03 0.00 0.00 55.73 55.53 1ael s ARG 10 Cb 0.23 -0.45 0.14 0.00 -1.03 0.00 0.00 34.95 33.84 1ael s ARG 10 CO 0.60 -0.47 0.44 0.54 -1.13 0.00 0.00 175.30 175.28 1ael s ASN 11 N -3.54 -0.25 -0.16 -2.89 2.20 -1.26 -4.27 114.94 104.77 1ael s ASN 11 Ca 0.28 0.57 -0.07 0.00 -0.94 0.00 0.00 52.86 52.71 1ael s ASN 11 Cb 0.03 1.43 -0.04 0.00 -2.00 0.00 0.00 41.25 40.67 1ael s ASN 11 CO 0.16 -0.27 0.07 -0.70 -2.94 0.00 0.00 177.10 173.42 1ael s GLU 12 N 2.64 3.75 0.00 3.55 -6.30 0.58 -4.37 118.70 118.55 1ael s GLU 12 Ca 0.11 -0.30 0.00 0.00 -2.50 0.00 0.00 54.97 52.28 1ael s GLU 12 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 34.13 30.82 1ael s GLU 12 CO -0.16 0.44 0.00 0.09 0.02 0.00 0.00 175.26 175.64 1ael n ASN 13 N 3.03 -4.32 0.41 -1.70 3.02 -1.26 -1.86 115.26 112.58 1ael n ASN 13 Ca -0.17 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.21 1ael n ASN 13 Cb 0.53 -2.79 -0.08 0.00 -0.61 0.00 0.00 39.78 36.84 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ael h TYR 14 N 0.00 -0.97 -0.91 3.10 5.03 -1.89 -2.03 116.97 119.31 1ael h TYR 14 Ca 0.00 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.37 1ael h TYR 14 Cb 0.72 0.32 -0.06 0.00 1.55 0.00 0.00 36.73 39.26 1ael h TYR 14 CO 0.45 -0.61 0.59 0.93 -1.32 0.00 0.00 178.16 178.20 1ael h GLU 15 N -1.14 0.94 0.00 1.82 4.39 -1.91 -2.50 114.58 116.19 1ael h GLU 15 Ca -0.11 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.34 1ael h GLU 15 Cb 0.80 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1ael h GLU 15 CO 0.18 0.62 -0.93 -0.22 -1.16 0.00 0.00 179.01 177.50 1ael h LYS 16 N 0.97 0.00 -0.16 2.33 3.11 -1.98 -2.84 116.57 118.01 1ael h LYS 16 Ca 0.41 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.27 1ael h LYS 16 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1ael h LYS 16 CO -0.17 0.92 0.11 0.35 -2.81 0.00 0.00 179.45 177.86 1ael h PHE 17 N 0.00 0.10 0.00 1.91 3.57 -0.90 -1.13 116.94 120.48 1ael h PHE 17 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ael h PHE 17 Cb 1.72 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.42 1ael h PHE 17 CO 0.00 0.06 -0.00 0.52 -2.23 0.00 0.00 178.31 176.66 1ael h MET 18 N 0.11 0.00 -0.89 1.11 2.86 -1.59 -3.38 114.93 113.15 1ael h MET 18 Ca 0.07 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.94 1ael h MET 18 Cb 0.14 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.65 1ael h MET 18 CO -0.01 0.13 0.09 1.49 1.06 0.00 0.00 176.91 179.67 1ael h GLU 19 N -1.00 0.09 0.00 1.72 4.57 -1.20 -1.49 114.58 117.27 1ael h GLU 19 Ca -0.00 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1ael h GLU 19 Cb 0.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1ael h GLU 19 CO -0.00 0.06 -0.24 0.87 -1.18 0.00 0.00 179.01 178.52 1ael h LYS 20 N 0.10 0.00 -0.00 1.92 1.57 -1.40 -2.62 116.57 116.13 1ael h LYS 20 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ael h LYS 20 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1ael h LYS 20 CO -0.77 0.24 -0.04 0.00 -0.57 0.00 0.00 179.45 178.32 1ael n MET 21 N -3.53 0.86 0.00 3.15 0.00 -0.59 -4.83 117.12 112.18 1ael n MET 21 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.51 1ael n MET 21 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1ael n MET 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ael n GLY 22 N 1.17 0.29 3.62 3.17 0.00 -1.00 -4.46 105.19 107.98 1ael n GLY 22 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1ael n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ael n ILE 23 N 0.00 0.52 -0.88 -0.61 -0.00 -1.06 -4.46 119.36 112.87 1ael n ILE 23 Ca 0.00 -0.30 -0.34 0.00 -0.00 0.00 0.00 62.75 62.11 1ael n ILE 23 Cb 0.00 -2.35 0.09 0.00 -0.00 0.00 0.00 39.64 37.38 1ael n ILE 23 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1ael n ASN 24 N 9.57 -3.69 0.32 4.38 5.03 -1.21 -4.48 115.26 125.19 1ael n ASN 24 Ca 0.26 0.27 0.22 0.00 0.87 0.00 0.00 54.58 56.20 1ael n ASN 24 Cb 0.40 -1.02 1.10 0.00 -1.02 0.00 0.00 39.78 39.24 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ael h VAL 25 N -1.34 0.00 0.00 2.41 -1.51 -1.94 -3.00 116.25 110.86 1ael h VAL 25 Ca -0.44 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1ael h VAL 25 Cb 1.29 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1ael h VAL 25 CO 0.30 0.00 -0.01 -0.37 -1.23 0.00 0.00 177.57 176.25 1ael h VAL 26 N 0.00 0.56 0.00 7.19 -1.51 -1.98 0.59 116.25 121.11 1ael h VAL 26 Ca 0.00 -0.06 -0.05 0.00 -1.23 0.00 0.00 66.70 65.36 1ael h VAL 26 Cb 0.12 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1ael h VAL 26 CO 0.00 0.01 -0.22 0.11 -1.23 0.00 0.00 177.57 176.25 1ael h LYS 27 N 0.00 0.00 -0.40 5.19 1.57 -1.86 -3.28 116.57 117.78 1ael h LYS 27 Ca -0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1ael h LYS 27 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1ael h LYS 27 CO 0.00 0.22 0.42 -0.09 -0.57 0.00 0.00 179.45 179.43 1ael h ARG 28 N 0.00 0.00 0.00 3.15 9.65 0.06 -2.29 114.38 124.94 1ael h ARG 28 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 1ael h ARG 28 Cb 1.16 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 1ael h ARG 28 CO 0.03 0.00 -1.00 1.57 2.80 0.00 0.00 179.97 183.37 1ael h LYS 29 N 0.00 0.00 -6.46 0.20 -0.00 -1.64 -3.46 116.57 105.21 1ael h LYS 29 Ca 0.19 0.00 -0.53 0.00 -0.00 0.00 0.00 60.65 60.31 1ael h LYS 29 Cb 1.03 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 33.29 1ael h LYS 29 CO -0.00 0.64 1.08 -1.17 -0.00 0.00 0.00 179.45 180.00 1ael s LEU 30 N -8.00 4.39 0.00 7.07 1.98 -0.86 -4.99 118.68 118.27 1ael s LEU 30 Ca -0.24 2.63 0.00 0.00 -2.89 0.00 0.00 54.13 53.63 1ael s LEU 30 Cb 0.05 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.34 1ael s LEU 30 CO 0.46 -0.96 0.00 0.61 -1.89 0.00 0.00 176.35 174.56 1ael n GLY 31 N 4.17 -0.41 2.13 7.98 0.00 -1.26 -4.88 105.19 112.91 1ael n GLY 31 Ca 0.17 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael n ALA 32 N -3.00 6.62 -0.69 4.61 0.00 -1.26 -4.54 120.51 122.25 1ael n ALA 32 Ca 0.00 -2.36 -0.12 0.00 0.00 0.00 0.00 53.44 50.95 1ael n ALA 32 Cb 0.00 -2.69 0.19 0.00 0.00 0.00 0.00 19.45 16.95 1ael n ALA 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ael n HIS 33 N 2.92 2.22 -2.95 0.00 -0.00 -1.26 -4.97 115.22 111.18 1ael n HIS 33 Ca 0.54 -1.30 -0.29 0.00 -0.00 0.00 0.00 57.72 56.67 1ael n HIS 33 Cb 0.65 -0.70 -0.02 0.00 -0.00 0.00 0.00 29.99 29.91 1ael n HIS 33 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ael s ASP 34 N -0.76 6.44 -0.34 0.26 1.11 -1.26 -4.97 116.67 117.15 1ael s ASP 34 Ca 0.45 0.97 0.04 0.00 0.18 0.00 0.00 52.55 54.18 1ael s ASP 34 Cb 0.37 -2.25 0.17 0.00 1.07 0.00 0.00 42.92 42.27 1ael s ASP 34 CO 0.10 -0.38 0.47 0.21 1.18 0.00 0.00 175.17 176.75 1ael s ASN 35 N -3.37 -0.07 -0.15 0.27 3.84 -1.26 -4.90 114.94 109.30 1ael s ASN 35 Ca 0.48 -0.78 0.01 0.00 0.21 0.00 0.00 52.86 52.79 1ael s ASN 35 Cb -0.10 1.26 0.00 0.00 -0.55 0.00 0.00 41.25 41.85 1ael s ASN 35 CO 0.34 -0.28 -0.18 -0.22 -2.79 0.00 0.00 177.10 173.97 1ael s LEU 36 N 2.08 2.34 -0.98 3.21 0.20 -1.26 -3.88 118.68 120.38 1ael s LEU 36 Ca 0.13 -0.52 -0.24 0.00 0.69 0.00 0.00 54.13 54.20 1ael s LEU 36 Cb -0.11 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.13 1ael s LEU 36 CO -0.16 0.09 1.74 -0.75 -0.29 0.00 0.00 176.35 176.98 1ael s LYS 37 N 0.78 3.01 0.21 1.98 2.20 -1.21 -2.76 119.74 123.96 1ael s LYS 37 Ca -0.07 -0.72 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 1ael s LYS 37 Cb -0.15 -5.21 0.19 0.00 -1.51 0.00 0.00 37.83 31.15 1ael s LYS 37 CO -0.00 -2.91 1.58 1.25 -0.36 0.00 0.00 175.35 174.90 1ael h LEU 38 N 15.68 -1.20 -1.20 5.43 7.12 -1.64 0.18 115.31 139.67 1ael h LEU 38 Ca 0.16 0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.42 1ael h LEU 38 Cb 1.00 0.63 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 1ael h LEU 38 CO 1.31 -0.29 -0.95 0.41 -0.13 0.00 0.00 178.44 178.79 1ael n THR 39 N -5.46 -5.68 -3.76 1.05 -1.04 -0.79 0.12 114.28 98.73 1ael n THR 39 Ca 0.07 2.61 -0.27 0.00 -2.04 0.00 0.00 64.05 64.42 1ael n THR 39 Cb 0.38 -3.43 -0.17 0.00 -1.82 0.00 0.00 70.33 65.29 1ael n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ael s ILE 40 N -2.15 0.54 -0.28 12.58 1.01 0.25 -2.24 121.20 130.91 1ael s ILE 40 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1ael s ILE 40 Cb 0.00 -0.95 0.05 0.00 0.01 0.00 0.00 42.46 41.58 1ael s ILE 40 CO 0.00 -0.08 -0.06 -0.89 0.00 0.00 0.00 174.94 173.91 1ael s THR 41 N 1.86 2.56 0.53 2.92 2.01 -1.20 0.35 115.64 124.68 1ael s THR 41 Ca 0.00 -1.49 -0.16 0.00 0.31 0.00 0.00 61.69 60.36 1ael s THR 41 Cb -0.16 -2.47 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 1ael s THR 41 CO -0.07 -0.04 0.99 -1.10 -0.69 0.00 0.00 174.62 173.71 1ael s GLN 42 N 1.18 3.87 0.23 4.92 1.11 -1.26 -1.51 119.66 128.20 1ael s GLN 42 Ca -0.07 0.95 0.03 0.00 0.01 0.00 0.00 55.36 56.28 1ael s GLN 42 Cb -0.20 -2.12 -0.05 0.00 -1.01 0.00 0.00 33.01 29.63 1ael s GLN 42 CO -0.03 -0.34 0.02 -2.00 0.01 0.00 0.00 175.29 172.95 1ael s GLU 43 N -4.17 1.33 0.18 2.91 -6.30 0.27 -4.88 118.70 108.04 1ael s GLU 43 Ca 0.59 -1.68 0.07 0.00 -2.50 0.00 0.00 54.97 51.44 1ael s GLU 43 Cb -0.10 -0.49 0.57 0.00 0.00 0.00 0.00 34.13 34.10 1ael s GLU 43 CO 0.34 -0.15 0.81 0.41 0.02 0.00 0.00 175.26 176.68 1ael n GLY 44 N -0.41 -0.51 1.98 -1.50 0.00 -1.26 -3.76 105.19 99.73 1ael n GLY 44 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ael n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 45 N -4.34 -0.12 -4.72 1.61 3.02 -1.26 -5.11 115.26 104.34 1ael n ASN 45 Ca 0.16 0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 54.80 1ael n ASN 45 Cb 0.55 0.31 0.15 0.00 -0.61 0.00 0.00 39.78 40.18 1ael n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ael s LYS 46 N -2.00 0.97 -0.17 3.52 2.20 -1.25 -3.50 119.74 119.51 1ael s LYS 46 Ca 0.00 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1ael s LYS 46 Cb 0.00 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.60 1ael s LYS 46 CO 0.00 -2.38 0.16 -0.06 -0.36 0.00 0.00 175.35 172.71 1ael s PHE 47 N -3.03 -0.07 -0.98 4.03 0.40 -1.17 0.95 117.98 118.12 1ael s PHE 47 Ca 0.64 0.06 -0.24 0.00 -0.60 0.00 0.00 56.93 56.79 1ael s PHE 47 Cb -0.17 -0.49 -0.07 0.00 0.51 0.00 0.00 43.02 42.80 1ael s PHE 47 CO 0.56 -0.51 1.98 0.99 0.70 0.00 0.00 175.22 178.94 1ael s THR 48 N 2.24 3.43 0.32 0.64 2.01 -0.57 -4.05 115.64 119.67 1ael s THR 48 Ca 0.04 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1ael s THR 48 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1ael s THR 48 CO -0.10 -0.87 0.57 0.68 -0.69 0.00 0.00 174.62 174.22 1ael s VAL 49 N 10.87 5.04 0.00 3.82 -7.23 -0.92 -3.21 120.40 128.76 1ael s VAL 49 Ca 0.71 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1ael s VAL 49 Cb -0.05 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1ael s VAL 49 CO 0.04 -0.45 0.00 0.29 -0.31 0.00 0.00 175.10 174.68 1ael n LYS 50 N -1.32 0.00 0.00 4.82 5.02 0.33 0.12 118.16 127.13 1ael n LYS 50 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ael n LYS 50 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ael n GLU 51 N 0.00 0.00 -3.72 1.97 2.13 0.05 -1.18 120.64 119.89 1ael n GLU 51 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1ael n GLU 51 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1ael n GLU 51 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ael s SER 52 N -1.48 3.63 0.50 4.31 1.04 -1.21 -2.44 113.70 118.05 1ael s SER 52 Ca 0.00 -2.75 0.00 0.00 0.48 0.00 0.00 55.95 53.68 1ael s SER 52 Cb 0.00 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.05 1ael s SER 52 CO 0.00 -0.25 0.00 -1.54 0.98 0.00 0.00 173.24 172.43 1ael n SER 53 N 3.38 0.00 -2.09 7.02 3.41 -1.26 -3.35 113.62 120.73 1ael n SER 53 Ca 0.10 -0.52 -0.23 0.00 -0.26 0.00 0.00 58.87 57.97 1ael n SER 53 Cb 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1ael n SER 53 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ael n ASN 54 N -1.56 6.80 0.00 4.04 2.85 -1.25 -3.68 115.26 122.46 1ael n ASN 54 Ca 0.00 -3.27 0.00 0.00 -0.11 0.00 0.00 54.58 51.20 1ael n ASN 54 Cb 0.00 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 39.96 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ael n PHE 55 N 0.08 -0.87 -0.06 1.20 3.01 -1.26 -4.99 117.46 114.57 1ael n PHE 55 Ca 0.41 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.83 1ael n PHE 55 Cb 0.58 0.46 -0.01 0.00 -0.01 0.00 0.00 39.48 40.50 1ael n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ael h ARG 56 N 0.00 0.00 -4.78 -1.08 2.47 -1.92 -3.51 114.38 105.56 1ael h ARG 56 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ael h ARG 56 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1ael h ARG 56 CO 0.00 0.00 -1.04 -1.71 0.56 0.00 0.00 179.97 177.78 1ael n ASN 57 N -4.46 -4.91 -3.45 7.04 2.85 -1.24 -4.93 115.26 106.15 1ael n ASN 57 Ca -0.06 1.21 -0.03 0.00 -0.11 0.00 0.00 54.58 55.59 1ael n ASN 57 Cb 0.23 -4.71 0.01 0.00 1.24 0.00 0.00 39.78 36.55 1ael n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1ael s ILE 58 N -1.12 0.00 0.33 -1.44 1.10 -1.02 -4.93 121.20 114.11 1ael s ILE 58 Ca -0.09 -0.56 0.09 0.00 -0.51 0.00 0.00 60.65 59.59 1ael s ILE 58 Cb 0.01 -2.72 -0.05 0.00 0.15 0.00 0.00 42.46 39.84 1ael s ILE 58 CO 0.68 0.00 -0.01 1.51 -2.11 0.00 0.00 174.94 175.00 1ael s ASP 59 N -3.34 4.13 0.17 4.50 -4.77 -1.25 -2.65 116.67 113.46 1ael s ASP 59 Ca 0.20 -0.98 0.00 0.00 -3.30 0.00 0.00 52.55 48.48 1ael s ASP 59 Cb -0.02 -0.53 -0.04 0.00 -1.09 0.00 0.00 42.92 41.24 1ael s ASP 59 CO 0.04 -0.19 0.04 -0.69 0.70 0.00 0.00 175.17 175.07 1ael s VAL 60 N -2.51 0.40 -0.29 2.11 1.01 0.12 -4.90 120.40 116.35 1ael s VAL 60 Ca 0.34 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 1ael s VAL 60 Cb -0.01 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1ael s VAL 60 CO 0.19 -0.38 0.78 0.54 0.00 0.00 0.00 175.10 176.22 1ael s VAL 61 N -3.85 -0.27 -0.17 2.92 0.11 -1.26 -2.18 120.40 115.71 1ael s VAL 61 Ca 0.27 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1ael s VAL 61 Cb 0.07 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1ael s VAL 61 CO 0.05 0.00 0.33 0.72 -3.33 0.00 0.00 175.10 172.86 1ael s PHE 62 N 1.92 -0.58 -0.05 1.54 -0.71 -1.26 -4.98 117.98 113.86 1ael s PHE 62 Ca -0.08 1.11 -0.30 0.00 -1.04 0.00 0.00 56.93 56.63 1ael s PHE 62 Cb -0.06 0.07 -0.36 0.00 -1.21 0.00 0.00 43.02 41.46 1ael s PHE 62 CO -0.18 -0.44 1.60 0.39 -1.34 0.00 0.00 175.22 175.24 1ael n GLU 63 N 5.36 0.10 -2.14 1.99 1.02 -1.26 -3.06 120.64 122.65 1ael n GLU 63 Ca -0.07 -1.04 -0.06 0.00 -0.02 0.00 0.00 57.16 55.97 1ael n GLU 63 Cb 0.50 -2.51 0.01 0.00 -0.02 0.00 0.00 31.44 29.41 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 64 N 8.80 -1.85 -0.28 -4.62 4.77 -1.23 -4.22 117.00 118.37 1ael n LEU 64 Ca 0.46 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1ael n LEU 64 Cb 0.41 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1ael n LEU 64 CO 1.17 -0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1ael n GLY 65 N 0.65 0.54 3.47 -0.72 0.00 0.49 -4.84 105.19 104.78 1ael n GLY 65 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1ael n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ael s VAL 66 N -1.66 2.73 1.01 1.61 0.11 -1.26 -4.84 120.40 118.09 1ael s VAL 66 Ca 0.00 -1.50 -0.17 0.00 -2.93 0.00 0.00 61.98 57.38 1ael s VAL 66 Cb 0.00 -2.23 0.22 0.00 -1.53 0.00 0.00 36.38 32.84 1ael s VAL 66 CO 0.00 0.14 1.30 -1.81 -3.33 0.00 0.00 175.10 171.40 1ael s ASP 67 N -2.02 2.72 0.00 3.54 1.01 -1.26 -4.07 116.67 116.59 1ael s ASP 67 Ca 0.17 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1ael s ASP 67 Cb -0.10 -0.32 0.00 0.00 1.01 0.00 0.00 42.92 43.50 1ael s ASP 67 CO 0.09 -2.98 0.00 0.49 0.21 0.00 0.00 175.17 172.97 1ael n PHE 68 N -3.94 -0.76 -1.95 4.23 3.72 -1.26 -4.95 117.46 112.56 1ael n PHE 68 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1ael n PHE 68 Cb 0.59 0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ael n ALA 69 N -1.68 0.00 -3.97 4.37 0.00 -1.14 -4.88 120.51 113.21 1ael n ALA 69 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ael n ALA 69 Cb 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 1ael n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ael s TYR 70 N -2.82 2.02 -0.19 0.00 5.04 -1.25 -4.66 117.35 115.49 1ael s TYR 70 Ca 0.00 -1.19 -0.41 0.00 -2.44 0.00 0.00 57.07 53.03 1ael s TYR 70 Cb 0.00 -1.49 -0.18 0.00 0.35 0.00 0.00 41.96 40.65 1ael s TYR 70 CO 0.00 -0.65 1.51 -1.13 -1.34 0.00 0.00 175.55 173.94 1ael n SER 71 N 4.80 1.58 -0.28 4.32 3.41 -1.26 -3.15 113.62 123.04 1ael n SER 71 Ca -0.15 1.12 0.22 0.00 -0.26 0.00 0.00 58.87 59.81 1ael n SER 71 Cb 0.49 -1.06 0.42 0.00 -0.26 0.00 0.00 64.21 63.79 1ael n SER 71 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ael n LEU 72 N 3.76 0.17 -3.08 1.04 -0.00 -1.19 -4.19 117.00 113.52 1ael n LEU 72 Ca 0.24 1.42 0.05 0.00 -0.00 0.00 0.00 56.01 57.72 1ael n LEU 72 Cb 0.10 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1ael n LEU 72 CO 0.75 -1.54 0.55 0.00 -0.00 0.00 0.00 177.39 177.15 1ael s ALA 73 N -5.46 -4.30 -1.21 1.96 0.00 -1.26 -5.04 121.76 106.45 1ael s ALA 73 Ca -0.09 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1ael s ALA 73 Cb 0.28 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1ael s ALA 73 CO 0.66 -2.20 0.71 -0.25 0.00 0.00 0.00 175.76 174.69 1ael n ASP 74 N 4.82 -3.88 0.00 0.00 9.92 -1.26 -4.87 116.55 121.28 1ael n ASP 74 Ca 0.09 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1ael n ASP 74 Cb 0.59 -3.46 0.00 0.00 -0.64 0.00 0.00 41.12 37.61 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ael n GLY 75 N -1.71 0.37 0.00 0.44 0.00 -1.26 -3.33 105.19 99.69 1ael n GLY 75 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ael n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 76 N 0.00 0.00 -1.36 2.61 5.66 -1.26 -4.80 114.28 115.13 1ael n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ael n THR 76 Cb 0.00 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ael n GLU 77 N -0.99 -2.76 0.00 1.09 1.02 -1.26 -4.36 120.64 113.39 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 77 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 78 N 0.00 0.00 -2.81 -4.62 4.77 -1.19 -3.15 117.00 110.01 1ael n LEU 78 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1ael n LEU 78 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ael n LEU 78 CO 0.00 0.00 1.78 1.07 -1.33 0.00 0.00 177.39 178.91 1ael n THR 79 N 0.00 3.92 -3.42 -5.08 5.66 -1.26 -2.87 114.28 111.24 1ael n THR 79 Ca 0.00 -3.52 -0.19 0.00 -3.05 0.00 0.00 64.05 57.29 1ael n THR 79 Cb 0.00 -1.69 -0.01 0.00 -1.55 0.00 0.00 70.33 67.08 1ael n THR 79 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ael s GLY 80 N 0.20 1.91 -0.63 1.09 0.00 -1.21 -4.53 107.32 104.14 1ael s GLY 80 Ca 0.57 -1.69 0.05 0.00 0.00 0.00 0.00 44.72 43.64 1ael s GLY 80 CO -0.20 -1.55 0.55 -1.30 0.00 0.00 0.00 173.10 170.60 1ael n THR 81 N -1.63 1.36 -1.67 0.90 -2.24 -1.26 -4.07 114.28 105.68 1ael n THR 81 Ca 0.03 -4.75 -0.44 0.00 -2.27 0.00 0.00 64.05 56.63 1ael n THR 81 Cb 0.60 -2.08 -0.02 0.00 -2.10 0.00 0.00 70.33 66.72 1ael n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1ael n TRP 82 N 1.70 2.10 -4.06 4.78 7.02 -1.26 -4.06 117.44 123.67 1ael n TRP 82 Ca 0.24 0.50 -0.12 0.00 -1.02 0.00 0.00 57.50 57.10 1ael n TRP 82 Cb 0.39 -2.42 -0.05 0.00 -2.42 0.00 0.00 31.31 26.81 1ael n TRP 82 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1ael s THR 83 N -0.50 0.00 0.00 -0.99 -4.23 -0.12 0.19 115.64 109.99 1ael s THR 83 Ca 0.63 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1ael s THR 83 Cb -0.63 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1ael s THR 83 CO 0.55 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.78 1ael n MET 84 N -0.47 2.27 -1.23 3.99 0.00 -1.26 0.25 117.12 120.67 1ael n MET 84 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.64 1ael n MET 84 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.80 1ael n MET 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ael n GLU 85 N 0.00 0.16 -2.95 3.17 2.13 0.38 -4.76 120.64 118.76 1ael n GLU 85 Ca 0.00 -1.13 -0.21 0.00 0.66 0.00 0.00 57.16 56.48 1ael n GLU 85 Cb 0.00 0.43 0.02 0.00 0.27 0.00 0.00 31.44 32.16 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ael n GLY 86 N -0.12 -0.51 0.00 8.31 0.00 -1.26 -4.36 105.19 107.24 1ael n GLY 86 Ca -0.24 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ael n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 87 N -2.34 0.00 -3.69 1.61 5.15 -1.26 -4.96 115.26 109.77 1ael n ASN 87 Ca -0.11 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.76 1ael n ASN 87 Cb 0.61 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.77 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1ael s LYS 88 N -0.75 0.53 0.00 1.20 -2.85 -1.23 -4.39 119.74 112.24 1ael s LYS 88 Ca 0.00 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1ael s LYS 88 Cb 0.00 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1ael s LYS 88 CO 0.00 -0.12 0.00 -0.11 0.10 0.00 0.00 175.35 175.22 1ael n LEU 89 N 3.73 0.00 -3.15 2.77 0.00 -1.26 0.14 117.00 119.24 1ael n LEU 89 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 56.01 55.87 1ael n LEU 89 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.97 1ael n LEU 89 CO 0.07 -1.24 0.42 -0.69 0.00 0.00 0.00 177.39 175.95 1ael s VAL 90 N -0.97 -0.54 0.26 1.96 1.01 0.70 -4.49 120.40 118.33 1ael s VAL 90 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 61.98 62.26 1ael s VAL 90 Cb 0.00 -0.86 0.30 0.00 0.00 0.00 0.00 36.38 35.81 1ael s VAL 90 CO 0.00 0.00 1.98 1.23 0.00 0.00 0.00 175.10 178.31 1ael h GLY 91 N 7.86 0.00 0.00 4.51 0.00 0.99 -0.28 103.07 116.15 1ael h GLY 91 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ael h GLY 91 CO 0.01 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.72 1ael n LYS 92 N -3.41 0.00 -2.91 4.80 3.00 -1.19 -4.17 118.16 114.28 1ael n LYS 92 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1ael n LYS 92 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 1ael n LYS 92 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1ael n PHE 93 N 4.79 0.00 0.00 5.64 1.16 -1.26 0.10 117.46 127.89 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 93 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.24 -3.36 118.16 122.54 1ael n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ael n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ael n LYS 94 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1ael n ARG 95 N 0.00 0.00 0.00 1.97 0.00 -1.26 -4.00 116.66 113.37 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ael n VAL 96 N 0.00 0.00 -0.55 8.89 0.31 -1.26 -4.40 118.33 121.32 1ael n VAL 96 Ca 0.00 0.00 0.44 0.00 -0.01 0.00 0.00 64.34 64.77 1ael n VAL 96 Cb 0.00 -0.15 0.76 0.00 -0.91 0.00 0.00 33.84 33.54 1ael n VAL 96 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 97 N 0.00 0.07 0.00 4.52 3.58 -1.91 -3.37 116.42 119.31 1ael h ASP 97 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ael h ASP 97 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1ael h ASP 97 CO 0.00 -0.04 0.00 -3.20 -2.88 0.00 0.00 179.24 173.12 1ael n ASN 98 N -4.20 0.00 -1.86 2.28 4.05 -1.26 -5.04 115.26 109.23 1ael n ASN 98 Ca 0.38 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.38 1ael n ASN 98 Cb 1.67 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 42.67 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ael n GLY 99 N 0.00 -0.02 1.07 8.20 0.00 -1.26 -4.85 105.19 108.33 1ael n GLY 99 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1ael n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 100 N -0.81 0.62 -2.86 1.61 4.01 -1.26 -4.62 118.16 114.85 1ael n LYS 100 Ca 0.00 -0.15 -0.12 0.00 -0.51 0.00 0.00 58.31 57.54 1ael n LYS 100 Cb 0.03 -0.47 0.04 0.00 -0.51 0.00 0.00 35.03 34.12 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ael n GLU 101 N -0.12 1.07 -0.24 1.97 1.02 -1.26 -3.73 120.64 119.34 1ael n GLU 101 Ca 0.01 -2.74 -0.07 0.00 -0.02 0.00 0.00 57.16 54.35 1ael n GLU 101 Cb 0.06 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ael h LEU 102 N 2.82 -1.48 0.00 -4.62 4.07 -1.73 -0.99 115.31 113.37 1ael h LEU 102 Ca -0.07 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1ael h LEU 102 Cb 1.11 0.69 0.00 0.00 1.08 0.00 0.00 40.66 43.55 1ael h LEU 102 CO 0.31 -0.32 0.00 -0.38 -1.08 0.00 0.00 178.44 176.98 1ael n ILE 103 N -5.41 0.00 0.00 1.22 2.08 0.28 0.27 119.36 117.80 1ael n ILE 103 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1ael n ILE 103 Cb 0.35 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.73 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N 1.00 0.00 -2.69 -1.39 0.00 -1.26 0.14 120.51 116.31 1ael n ALA 104 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ael n ALA 104 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1ael n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ael s VAL 105 N 0.00 5.28 -0.39 0.00 0.11 -1.08 0.14 120.40 124.45 1ael s VAL 105 Ca 0.00 0.52 0.23 0.00 -2.93 0.00 0.00 61.98 59.80 1ael s VAL 105 Cb 0.00 -3.64 0.23 0.00 -1.53 0.00 0.00 36.38 31.44 1ael s VAL 105 CO 0.00 0.33 1.44 -0.09 -3.33 0.00 0.00 175.10 173.45 1ael h ARG 106 N 7.14 0.00 0.00 1.54 9.65 -1.81 -1.61 114.38 129.29 1ael h ARG 106 Ca -0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1ael h ARG 106 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1ael h ARG 106 CO 0.72 0.00 0.00 0.39 2.80 0.00 0.00 179.97 183.88 1ael n GLU 107 N -2.93 0.00 -0.08 0.20 1.02 -1.26 -2.15 120.64 115.44 1ael n GLU 107 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1ael n GLU 107 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ael n ILE 108 N 0.00 -1.21 -3.18 -3.67 3.06 -1.26 -3.51 119.36 109.59 1ael n ILE 108 Ca 0.00 0.12 0.02 0.00 -2.50 0.00 0.00 62.75 60.39 1ael n ILE 108 Cb 0.00 -0.41 -0.01 0.00 0.54 0.00 0.00 39.64 39.75 1ael n ILE 108 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ael s SER 109 N -1.80 -1.25 0.38 9.51 0.15 -1.26 -4.84 113.70 114.59 1ael s SER 109 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1ael s SER 109 Cb 0.00 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1ael s SER 109 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1ael n GLY 110 N 5.41 0.79 2.82 9.45 0.00 -1.26 -2.41 105.19 119.99 1ael n GLY 110 Ca 0.02 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1ael n GLY 110 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 111 N 5.90 4.69 -0.78 1.61 5.15 -1.26 -5.02 115.26 125.55 1ael n ASN 111 Ca 0.00 -3.64 0.00 0.00 -0.60 0.00 0.00 54.58 50.34 1ael n ASN 111 Cb 0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ael n GLU 112 N 0.00 0.31 0.00 1.20 4.71 -1.01 -4.99 120.64 120.85 1ael n GLU 112 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1ael n GLU 112 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.81 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 113 N 0.00 0.00 0.00 -4.62 4.77 -1.25 -4.36 117.00 111.53 1ael n LEU 113 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ael n LEU 113 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ael n LEU 113 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 1ael n ILE 114 N 0.00 0.00 0.00 -0.08 2.08 -0.92 -4.40 119.36 116.04 1ael n ILE 114 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 114 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n GLN 115 N 0.00 0.00 -0.36 0.38 6.02 -1.15 -1.10 117.38 121.17 1ael n GLN 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ael n GLN 115 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1ael n THR 116 N -0.83 0.00 -3.51 5.09 -1.04 -0.62 -2.65 114.28 110.72 1ael n THR 116 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1ael n THR 116 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1ael n THR 116 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ael s TYR 117 N -0.32 3.28 -0.99 -1.42 1.51 -1.18 -2.67 117.35 115.55 1ael s TYR 117 Ca 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 54.91 1ael s TYR 117 Cb 0.00 -2.91 0.24 0.00 -0.11 0.00 0.00 41.96 39.18 1ael s TYR 117 CO 0.00 -0.77 2.15 2.41 -1.11 0.00 0.00 175.55 178.23 1ael n THR 118 N 5.06 5.02 -1.58 -0.71 -1.04 0.75 -0.97 114.28 120.81 1ael n THR 118 Ca -0.11 -4.80 -0.42 0.00 -2.04 0.00 0.00 64.05 56.67 1ael n THR 118 Cb 0.44 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.28 1ael n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ael n TYR 119 N 0.46 1.85 -4.06 -1.42 4.11 -0.38 -2.49 117.16 115.23 1ael n TYR 119 Ca 0.53 -0.07 -0.32 0.00 -0.00 0.00 0.00 57.90 58.04 1ael n TYR 119 Cb 0.29 -2.71 -0.00 0.00 -0.00 0.00 0.00 39.34 36.92 1ael n TYR 119 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1ael n GLU 120 N 8.79 -4.10 -1.11 -3.48 1.02 -1.26 -2.62 120.64 117.88 1ael n GLU 120 Ca 0.32 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1ael n GLU 120 Cb 0.46 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ael n GLY 121 N -1.59 1.10 2.39 0.62 0.00 -1.04 -5.03 105.19 101.64 1ael n GLY 121 Ca -0.01 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 1ael n GLY 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ael n VAL 122 N -2.05 -0.44 -1.59 1.61 0.31 -1.08 -5.06 118.33 110.04 1ael n VAL 122 Ca 0.00 -3.12 -0.42 0.00 -0.01 0.00 0.00 64.34 60.79 1ael n VAL 122 Cb 0.25 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1ael n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ael n GLU 123 N 1.46 1.28 -3.68 5.55 2.13 -1.13 -4.00 120.64 122.24 1ael n GLU 123 Ca 0.17 0.46 -0.24 0.00 0.66 0.00 0.00 57.16 58.20 1ael n GLU 123 Cb 0.57 -1.93 -0.17 0.00 0.27 0.00 0.00 31.44 30.18 1ael n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ael s ALA 124 N -1.22 0.53 0.00 4.31 0.00 -0.14 -4.62 121.76 120.61 1ael s ALA 124 Ca 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1ael s ALA 124 Cb -0.61 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1ael s ALA 124 CO 0.58 -0.84 0.00 1.63 0.00 0.00 0.00 175.76 177.13 1ael n LYS 125 N 5.22 0.00 0.00 0.00 4.01 -0.78 -3.13 118.16 123.48 1ael n LYS 125 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1ael n LYS 125 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1ael n LYS 125 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ael n ARG 126 N 0.00 0.00 0.00 1.97 5.12 -0.26 0.21 116.66 123.71 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ael n ILE 127 N 0.00 0.00 -0.82 0.55 -0.00 -0.86 -4.57 119.36 113.66 1ael n ILE 127 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 1ael n ILE 127 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 39.64 39.75 1ael n ILE 127 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1ael n PHE 128 N 1.69 -2.10 0.36 1.39 1.16 -1.23 0.96 117.46 119.69 1ael n PHE 128 Ca 0.00 0.19 0.08 0.00 -1.87 0.00 0.00 57.45 55.86 1ael n PHE 128 Cb 0.00 -1.64 -0.11 0.00 -1.61 0.00 0.00 39.48 36.12 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N -0.76 1.01 -0.58 3.97 5.02 -1.26 -3.63 118.16 121.94 1ael n LYS 129 Ca 0.03 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1ael n LYS 129 Cb 0.58 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N -1.76 0.00 0.00 1.97 0.00 -1.26 -4.76 118.16 112.35 1ael n LYS 130 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ael n LYS 130 Cb 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49