#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael s PHE 2 N 0.00 2.34 0.11 0.00 -0.12 -1.26 -4.96 117.98 114.09 1ael s PHE 2 Ca 0.00 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 1ael s PHE 2 Cb 0.00 -4.59 -0.04 0.00 -0.63 0.00 0.00 43.02 37.76 1ael s PHE 2 CO 0.00 -2.01 -0.02 -0.51 -0.05 0.00 0.00 175.22 172.63 1ael s ASP 3 N 3.67 0.92 0.00 1.98 1.01 -1.23 -4.26 116.67 118.77 1ael s ASP 3 Ca 0.35 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.53 1ael s ASP 3 Cb -0.09 0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.99 1ael s ASP 3 CO 0.15 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1ael n GLY 4 N -0.07 -0.12 3.98 0.21 0.00 0.23 -4.61 105.19 104.82 1ael n GLY 4 Ca -0.10 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 4.24 -0.12 2.61 -4.23 -1.26 0.17 115.64 117.05 1ael s THR 5 Ca 0.00 -1.01 -0.34 0.00 -1.18 0.00 0.00 61.69 59.17 1ael s THR 5 Cb 0.00 -3.47 0.14 0.00 1.34 0.00 0.00 72.50 70.51 1ael s THR 5 CO 0.00 -0.18 1.34 0.26 -0.54 0.00 0.00 174.62 175.50 1ael s TRP 6 N -2.15 -0.04 0.00 3.99 0.23 -1.26 -4.03 118.94 115.69 1ael s TRP 6 Ca 0.43 -0.01 0.00 0.00 -2.03 0.00 0.00 56.10 54.50 1ael s TRP 6 Cb -0.09 0.52 0.00 0.00 0.03 0.00 0.00 33.47 33.92 1ael s TRP 6 CO 0.31 -0.13 0.00 1.63 0.96 0.00 0.00 176.95 179.72 1ael n LYS 7 N -0.34 0.00 -3.00 4.98 5.02 -1.26 -1.31 118.16 122.25 1ael n LYS 7 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.07 1ael n LYS 7 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.60 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 -0.39 -0.26 -0.18 0.31 -1.22 -3.37 118.33 113.22 1ael n VAL 8 Ca 0.00 -2.96 0.16 0.00 -0.01 0.00 0.00 64.34 61.53 1ael n VAL 8 Cb 0.00 -0.46 0.44 0.00 -0.91 0.00 0.00 33.84 32.91 1ael n VAL 8 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 9 N 3.97 0.54 0.00 4.52 1.82 0.11 -3.44 116.42 123.94 1ael h ASP 9 Ca -0.02 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1ael h ASP 9 Cb 0.95 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.90 1ael h ASP 9 CO 0.40 0.24 0.00 -2.11 -1.61 0.00 0.00 179.24 176.16 1ael n ARG 10 N -4.56 0.02 -3.42 0.28 1.85 -0.96 -4.95 116.66 104.92 1ael n ARG 10 Ca 0.19 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 57.05 1ael n ARG 10 Cb 0.59 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.95 1ael n ARG 10 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1ael s ASN 11 N 1.00 -0.38 0.00 2.89 4.22 -1.26 -4.71 114.94 116.71 1ael s ASN 11 Ca 0.00 0.54 0.00 0.00 -2.14 0.00 0.00 52.86 51.26 1ael s ASN 11 Cb 0.00 1.36 0.00 0.00 1.28 0.00 0.00 41.25 43.89 1ael s ASN 11 CO 0.00 -0.08 0.00 -0.62 -2.04 0.00 0.00 177.10 174.36 1ael n GLU 12 N 4.43 0.00 0.00 3.55 -0.58 0.28 -4.85 120.64 123.47 1ael n GLU 12 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1ael n GLU 12 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1ael n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ael n ASN 13 N 0.00 0.00 0.00 1.62 3.02 -1.25 -4.90 115.26 113.74 1ael n ASN 13 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1ael n ASN 13 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ael n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ael n TYR 14 N -0.51 0.00 0.03 3.10 0.18 -1.25 -4.91 117.16 113.80 1ael n TYR 14 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 1ael n TYR 14 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 1ael n TYR 14 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1ael h GLU 15 N 0.00 0.63 -0.01 -3.48 4.81 -1.93 -3.20 114.58 111.40 1ael h GLU 15 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1ael h GLU 15 Cb 0.00 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ael h GLU 15 CO 0.00 1.26 0.99 -0.22 -0.73 0.00 0.00 179.01 180.31 1ael h LYS 16 N 0.26 0.00 0.00 1.92 3.11 -2.00 0.49 116.57 120.35 1ael h LYS 16 Ca -0.11 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1ael h LYS 16 Cb 1.57 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.79 1ael h LYS 16 CO 0.18 0.00 -0.22 0.27 -2.81 0.00 0.00 179.45 176.87 1ael h PHE 17 N 0.00 0.00 0.21 1.91 -5.15 -1.94 -1.28 116.94 110.69 1ael h PHE 17 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1ael h PHE 17 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.16 1ael h PHE 17 CO 0.00 0.22 -0.10 0.52 -2.00 0.00 0.00 178.31 176.95 1ael h MET 18 N 0.00 -0.27 -0.95 6.09 2.86 -0.26 -3.25 114.93 119.15 1ael h MET 18 Ca -0.00 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 1ael h MET 18 Cb 0.46 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 1ael h MET 18 CO 0.03 0.02 0.61 1.49 1.06 0.00 0.00 176.91 180.12 1ael h GLU 19 N -0.99 0.66 0.00 1.72 4.57 -1.52 0.06 114.58 119.07 1ael h GLU 19 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ael h GLU 19 Cb 0.42 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1ael h GLU 19 CO 0.05 0.43 -0.00 0.87 -1.18 0.00 0.00 179.01 179.18 1ael h LYS 20 N 0.68 0.00 0.00 1.92 1.79 -1.33 -1.31 116.57 118.32 1ael h LYS 20 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1ael h LYS 20 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1ael h LYS 20 CO -0.27 0.00 0.00 0.52 -1.08 0.00 0.00 179.45 178.62 1ael h MET 21 N 0.00 0.00 0.00 3.15 2.86 -1.02 -3.46 114.93 116.46 1ael h MET 21 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ael h MET 21 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1ael h MET 21 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1ael n GLY 22 N 0.65 1.94 3.65 8.32 0.00 -0.51 -4.99 105.19 114.26 1ael n GLY 22 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ael n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ael s ILE 23 N -2.00 3.08 0.84 -0.61 1.09 -1.08 -4.77 121.20 117.75 1ael s ILE 23 Ca 0.00 0.10 -0.16 0.00 -1.10 0.00 0.00 60.65 59.49 1ael s ILE 23 Cb 0.00 -3.07 -0.10 0.00 -1.06 0.00 0.00 42.46 38.23 1ael s ILE 23 CO 0.00 -0.01 -0.26 0.59 -0.10 0.00 0.00 174.94 175.15 1ael n ASN 24 N 8.01 -4.15 0.26 3.58 3.02 -1.26 -4.51 115.26 120.21 1ael n ASN 24 Ca 0.21 0.37 0.16 0.00 -0.03 0.00 0.00 54.58 55.29 1ael n ASN 24 Cb 0.42 -0.92 0.56 0.00 -0.61 0.00 0.00 39.78 39.23 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ael h VAL 25 N -0.77 0.01 -0.05 2.41 -1.51 -1.98 -3.28 116.25 111.07 1ael h VAL 25 Ca -0.44 -0.64 0.01 0.00 -1.23 0.00 0.00 66.70 64.41 1ael h VAL 25 Cb 1.34 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1ael h VAL 25 CO 0.32 0.00 0.18 -0.37 -1.23 0.00 0.00 177.57 176.47 1ael h VAL 26 N 0.00 0.11 0.05 7.19 -1.51 -2.03 1.14 116.25 121.21 1ael h VAL 26 Ca -0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.23 1ael h VAL 26 Cb 0.63 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1ael h VAL 26 CO 0.00 0.00 -1.10 0.50 -1.23 0.00 0.00 177.57 175.74 1ael h LYS 27 N 0.00 0.11 0.00 5.19 3.64 -1.93 -3.26 116.57 120.31 1ael h LYS 27 Ca 0.02 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1ael h LYS 27 Cb 0.39 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1ael h LYS 27 CO -0.00 1.09 -0.03 0.00 -2.27 0.00 0.00 179.45 178.24 1ael h ARG 28 N 0.03 0.00 -0.78 1.90 2.47 0.12 0.48 114.38 118.59 1ael h ARG 28 Ca -0.06 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.79 1ael h ARG 28 Cb 1.85 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 30.04 1ael h ARG 28 CO 0.16 0.03 -0.34 0.87 0.56 0.00 0.00 179.97 181.26 1ael h LYS 29 N 0.00 -0.07 0.00 0.04 1.79 -1.58 -3.30 116.57 113.45 1ael h LYS 29 Ca -0.00 0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 1ael h LYS 29 Cb 0.07 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1ael h LYS 29 CO 0.00 -0.05 -1.56 1.28 -1.08 0.00 0.00 179.45 178.05 1ael n LEU 30 N -5.47 0.89 0.00 2.94 7.99 -1.15 -5.07 117.00 117.13 1ael n LEU 30 Ca 0.08 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1ael n LEU 30 Cb 0.38 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1ael n LEU 30 CO -0.06 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.68 1ael n GLY 31 N 2.43 3.06 2.49 -0.72 0.00 0.17 -4.53 105.19 108.08 1ael n GLY 31 Ca -0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 9.39 0.70 0.00 4.61 0.00 -1.26 -3.34 120.51 130.61 1ael n ALA 32 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1ael n ALA 32 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 3.86 0.00 -1.11 0.00 -0.00 -1.26 -5.12 115.22 111.59 1ael n HIS 33 Ca 0.35 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.66 1ael n HIS 33 Cb 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.13 1ael n HIS 33 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ael n ASP 34 N -0.00 -0.51 -3.82 0.26 5.68 -1.21 -4.96 116.55 111.99 1ael n ASP 34 Ca 0.00 0.88 -0.28 0.00 -0.50 0.00 0.00 54.79 54.89 1ael n ASP 34 Cb 0.00 -0.72 -0.12 0.00 -1.14 0.00 0.00 41.12 39.14 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1ael s ASN 35 N -0.41 4.17 -0.08 -1.12 2.47 -1.26 -4.70 114.94 114.00 1ael s ASN 35 Ca 0.59 -3.51 0.02 0.00 0.42 0.00 0.00 52.86 50.38 1ael s ASN 35 Cb -0.84 -1.41 0.01 0.00 -1.45 0.00 0.00 41.25 37.56 1ael s ASN 35 CO 0.43 -0.13 -0.13 -1.48 -3.72 0.00 0.00 177.10 172.07 1ael s LEU 36 N -0.91 1.64 -0.71 3.21 2.34 -1.26 -3.83 118.68 119.16 1ael s LEU 36 Ca 0.24 -0.34 -0.26 0.00 0.06 0.00 0.00 54.13 53.83 1ael s LEU 36 Cb -0.08 -0.92 -0.03 0.00 -0.56 0.00 0.00 46.19 44.60 1ael s LEU 36 CO -0.13 0.02 1.89 -0.75 -1.06 0.00 0.00 176.35 176.32 1ael s LYS 37 N 0.82 2.60 0.21 1.48 2.20 -1.23 -3.42 119.74 122.41 1ael s LYS 37 Ca -0.11 0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 55.72 1ael s LYS 37 Cb -0.15 -4.61 0.31 0.00 -1.51 0.00 0.00 37.83 31.86 1ael s LYS 37 CO 0.02 -2.95 1.69 1.25 -0.36 0.00 0.00 175.35 175.00 1ael h LEU 38 N 16.91 -0.09 -0.72 5.43 7.12 -1.40 -0.65 115.31 141.91 1ael h LEU 38 Ca -0.14 0.13 0.04 0.00 0.13 0.00 0.00 57.88 58.04 1ael h LEU 38 Cb 1.11 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.41 1ael h LEU 38 CO 1.22 -0.04 -0.92 0.41 -0.13 0.00 0.00 178.44 178.98 1ael n THR 39 N -5.18 -2.39 -3.66 1.05 -1.04 -0.70 0.16 114.28 102.53 1ael n THR 39 Ca 0.09 1.26 -0.15 0.00 -2.04 0.00 0.00 64.05 63.21 1ael n THR 39 Cb 0.34 -2.07 -0.14 0.00 -1.82 0.00 0.00 70.33 66.64 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 -5.14 -0.34 -0.56 12.58 1.01 0.46 -3.38 121.20 125.82 1ael s ILE 40 Ca 0.00 0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1ael s ILE 40 Cb 0.00 -0.38 0.15 0.00 0.01 0.00 0.00 42.46 42.24 1ael s ILE 40 CO 0.00 0.12 0.36 -0.89 0.00 0.00 0.00 174.94 174.53 1ael s THR 41 N 2.36 2.18 0.18 2.92 2.01 -1.06 0.77 115.64 125.00 1ael s THR 41 Ca 0.02 -3.46 -0.33 0.00 0.31 0.00 0.00 61.69 58.24 1ael s THR 41 Cb -0.12 -2.47 -0.14 0.00 0.01 0.00 0.00 72.50 69.77 1ael s THR 41 CO -0.07 -0.96 1.49 0.00 -0.69 0.00 0.00 174.62 174.40 1ael n GLN 42 N 2.72 2.02 -4.15 4.92 -0.00 -1.26 -1.58 117.38 120.05 1ael n GLN 42 Ca 0.15 0.73 -0.20 0.00 -0.00 0.00 0.00 57.00 57.68 1ael n GLN 42 Cb 0.36 -2.44 -0.07 0.00 -0.00 0.00 0.00 30.24 28.08 1ael n GLN 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ael n GLU 43 N 2.84 0.43 -1.44 2.61 1.02 0.33 -4.90 120.64 121.52 1ael n GLU 43 Ca 0.15 -3.19 -0.18 0.00 -0.02 0.00 0.00 57.16 53.92 1ael n GLU 43 Cb 0.29 2.45 -0.18 0.00 -0.02 0.00 0.00 31.44 33.98 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ael n GLY 44 N -0.62 -0.39 5.00 0.62 0.00 -1.26 -3.19 105.19 105.35 1ael n GLY 44 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 7.28 0.00 -2.89 1.61 4.13 -1.26 -4.83 115.26 119.30 1ael n ASN 45 Ca 0.56 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.79 1ael n ASN 45 Cb 0.23 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.50 1ael n ASN 45 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1ael n LYS 46 N 0.00 -1.94 -3.65 3.52 0.00 -1.19 -4.30 118.16 110.60 1ael n LYS 46 Ca 0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.31 58.07 1ael n LYS 46 Cb 0.00 -0.17 -0.07 0.00 -0.00 0.00 0.00 35.03 34.79 1ael n LYS 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1ael s PHE 47 N -1.13 -0.93 -1.21 5.58 0.08 -1.26 -0.52 117.98 118.60 1ael s PHE 47 Ca 0.06 1.97 -0.21 0.00 0.12 0.00 0.00 56.93 58.88 1ael s PHE 47 Cb -0.01 0.48 0.01 0.00 -0.57 0.00 0.00 43.02 42.93 1ael s PHE 47 CO 0.05 -0.46 1.79 0.99 -0.10 0.00 0.00 175.22 177.49 1ael s THR 48 N 1.19 3.86 0.14 0.64 2.01 -0.61 -2.00 115.64 120.86 1ael s THR 48 Ca -0.07 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.52 1ael s THR 48 Cb -0.05 -4.90 -0.06 0.00 0.01 0.00 0.00 72.50 67.51 1ael s THR 48 CO -0.12 -1.60 0.38 0.68 -0.69 0.00 0.00 174.62 173.27 1ael s VAL 49 N 6.99 5.15 0.00 3.82 -7.23 -1.26 -2.55 120.40 125.33 1ael s VAL 49 Ca 0.59 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 1ael s VAL 49 Cb 0.01 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.33 1ael s VAL 49 CO 0.07 0.06 0.00 0.29 -0.31 0.00 0.00 175.10 175.21 1ael n LYS 50 N 0.17 0.00 0.00 4.82 5.02 0.43 0.82 118.16 129.42 1ael n LYS 50 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1ael n LYS 50 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 -3.91 1.97 2.13 -0.25 -3.03 120.64 117.55 1ael n GLU 51 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1ael n GLU 51 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 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 -0.89 4.21 0.00 4.31 1.04 -1.23 -2.98 113.70 118.16 1ael s SER 52 Ca 0.00 -2.88 0.00 0.00 0.48 0.00 0.00 55.95 53.55 1ael s SER 52 Cb 0.00 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.61 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 3.27 0.00 -1.33 7.02 3.41 -1.24 -3.49 113.62 121.26 1ael n SER 53 Ca 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 1ael n SER 53 Cb 0.33 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.00 3.19 0.05 4.04 2.85 -1.25 -4.20 115.26 119.94 1ael n ASN 54 Ca 0.00 -2.44 0.00 0.00 -0.11 0.00 0.00 54.58 52.03 1ael n ASN 54 Cb 0.00 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.43 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 0.04 -0.93 -3.75 1.20 3.72 -1.26 -5.04 117.46 111.44 1ael n PHE 55 Ca 0.17 0.16 -0.29 0.00 -0.05 0.00 0.00 57.45 57.44 1ael n PHE 55 Cb 0.82 0.54 -0.16 0.00 -0.94 0.00 0.00 39.48 39.75 1ael n PHE 55 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1ael s ARG 56 N -2.00 0.78 -0.31 -1.08 6.06 -1.26 -5.08 118.95 116.07 1ael s ARG 56 Ca 0.00 -0.83 -0.29 0.00 -2.50 0.00 0.00 55.73 52.11 1ael s ARG 56 Cb 0.00 -2.08 0.01 0.00 0.06 0.00 0.00 34.95 32.94 1ael s ARG 56 CO 0.00 -0.83 1.11 1.21 -2.50 0.00 0.00 175.30 174.30 1ael s ASN 57 N 1.68 6.91 0.34 -2.12 3.84 -1.26 -3.63 114.94 120.70 1ael s ASN 57 Ca 0.04 1.11 -0.17 0.00 0.21 0.00 0.00 52.86 54.05 1ael s ASN 57 Cb -0.17 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.02 1ael s ASN 57 CO -0.17 -0.89 0.75 -0.51 -2.79 0.00 0.00 177.10 173.48 1ael s ILE 58 N 3.72 0.00 0.38 -5.21 1.10 -1.16 -4.97 121.20 115.06 1ael s ILE 58 Ca 0.47 -1.03 0.05 0.00 -0.51 0.00 0.00 60.65 59.63 1ael s ILE 58 Cb -0.13 -2.54 -0.03 0.00 0.15 0.00 0.00 42.46 39.92 1ael s ILE 58 CO 0.16 0.00 0.17 -0.62 -2.11 0.00 0.00 174.94 172.54 1ael s ASP 59 N -3.02 2.43 0.00 4.50 -1.08 -1.24 -2.72 116.67 115.54 1ael s ASP 59 Ca 0.15 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1ael s ASP 59 Cb -0.05 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1ael s ASP 59 CO 0.10 -0.97 0.00 0.52 0.52 0.00 0.00 175.17 175.34 1ael n VAL 60 N -0.82 0.00 -1.30 1.11 0.31 0.24 -4.91 118.33 112.96 1ael n VAL 60 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ael n VAL 60 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1ael n VAL 60 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ael n VAL 61 N 0.00 -0.90 0.00 2.52 0.31 -0.85 -4.82 118.33 114.59 1ael n VAL 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 61 Cb 0.00 -3.05 0.00 0.00 -0.91 0.00 0.00 33.84 29.88 1ael n VAL 61 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1ael n PHE 62 N -0.85 0.00 0.00 3.52 1.16 -1.22 -4.87 117.46 115.21 1ael n PHE 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 62 Cb 0.41 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 1ael n PHE 62 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1ael n GLU 63 N 0.00 0.00 0.00 3.97 2.13 -1.26 -4.73 120.64 120.75 1ael n GLU 63 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ael n GLU 63 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ael n LEU 64 N 0.00 0.00 0.00 4.31 4.77 -1.26 -4.44 117.00 120.38 1ael n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ael n LEU 64 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ael n LEU 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1ael n GLY 65 N 0.00 0.24 0.98 -0.72 0.00 -1.05 -4.35 105.19 100.29 1ael n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ael n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ael n VAL 66 N -0.97 -3.54 -2.54 1.61 3.14 -1.26 -4.25 118.33 110.52 1ael n VAL 66 Ca 0.00 1.45 -0.42 0.00 -2.96 0.00 0.00 64.34 62.41 1ael n VAL 66 Cb 0.00 -2.01 -0.03 0.00 -1.06 0.00 0.00 33.84 30.73 1ael n VAL 66 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1ael s ASP 67 N -3.00 7.23 0.00 6.55 -4.77 -1.26 -4.14 116.67 117.27 1ael s ASP 67 Ca 0.00 1.94 0.00 0.00 -3.30 0.00 0.00 52.55 51.19 1ael s ASP 67 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1ael s ASP 67 CO 0.00 -0.33 0.00 0.49 0.70 0.00 0.00 175.17 176.03 1ael n PHE 68 N 3.43 0.00 -0.91 2.11 3.72 -1.25 -4.99 117.46 119.57 1ael n PHE 68 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1ael n PHE 68 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.54 0.00 -2.68 4.37 0.00 0.38 -4.79 120.51 116.24 1ael n ALA 69 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ael n ALA 69 Cb 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 1ael n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ael s TYR 70 N -2.27 2.57 0.06 0.00 1.13 -1.21 -4.37 117.35 113.27 1ael s TYR 70 Ca 0.00 -0.52 -0.38 0.00 -1.41 0.00 0.00 57.07 54.77 1ael s TYR 70 Cb 0.00 -1.64 -0.17 0.00 -1.10 0.00 0.00 41.96 39.04 1ael s TYR 70 CO 0.00 -0.08 1.28 -1.13 -2.51 0.00 0.00 175.55 173.11 1ael n SER 71 N 2.82 1.26 -0.32 -0.18 3.41 -1.24 -2.23 113.62 117.14 1ael n SER 71 Ca -0.17 1.13 0.31 0.00 -0.26 0.00 0.00 58.87 59.87 1ael n SER 71 Cb 0.52 -1.13 0.57 0.00 -0.26 0.00 0.00 64.21 63.92 1ael n SER 71 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ael h LEU 72 N 4.20 0.32 0.00 1.04 7.12 -1.86 -3.35 115.31 122.78 1ael h LEU 72 Ca -0.48 0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1ael h LEU 72 Cb 1.36 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1ael h LEU 72 CO 0.75 -0.41 0.00 0.00 -0.13 0.00 0.00 178.44 178.65 1ael n ALA 73 N -2.28 0.00 0.17 1.25 0.00 -1.26 -5.10 120.51 113.28 1ael n ALA 73 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ael n ALA 73 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.70 1ael n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ael n ASP 74 N 0.00 -3.08 -0.00 0.00 5.75 -1.26 -5.09 116.55 112.87 1ael n ASP 74 Ca 0.00 0.69 -0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1ael n ASP 74 Cb 0.00 2.99 -0.00 0.00 -1.03 0.00 0.00 41.12 43.07 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ael n GLY 75 N -1.47 -0.00 0.00 6.12 0.00 -1.26 -4.87 105.19 103.71 1ael n GLY 75 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ael n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ael n THR 76 N -1.94 0.00 -3.67 2.61 -1.04 -1.26 -4.83 114.28 104.16 1ael n THR 76 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ael n THR 76 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ael n GLU 77 N 0.00 0.00 0.00 -2.82 1.02 -1.26 -3.59 120.64 113.99 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -1.99 -4.62 4.77 -0.11 -3.12 117.00 111.92 1ael n LEU 78 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1ael n LEU 78 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1ael n LEU 78 CO 0.00 0.00 1.24 1.07 -1.33 0.00 0.00 177.39 178.37 1ael n THR 79 N 0.00 2.94 -3.25 -5.08 5.66 -0.69 -0.47 114.28 113.39 1ael n THR 79 Ca 0.00 -1.91 -0.04 0.00 -3.05 0.00 0.00 64.05 59.05 1ael n THR 79 Cb 0.00 -1.15 0.01 0.00 -1.55 0.00 0.00 70.33 67.64 1ael n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ael n GLY 80 N -0.18 2.41 2.64 1.09 0.00 -1.13 -4.44 105.19 105.58 1ael n GLY 80 Ca 0.41 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1ael n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ael s THR 81 N 0.03 1.27 -0.96 2.61 -1.32 -1.26 -3.76 115.64 112.24 1ael s THR 81 Ca 0.08 -2.78 -0.25 0.00 -1.21 0.00 0.00 61.69 57.52 1ael s THR 81 Cb -0.01 -1.87 -0.13 0.00 -1.51 0.00 0.00 72.50 68.98 1ael s THR 81 CO 0.05 -1.01 2.14 0.26 -2.21 0.00 0.00 174.62 173.86 1ael s TRP 82 N 0.05 1.45 0.18 9.09 0.52 -1.26 -4.37 118.94 124.61 1ael s TRP 82 Ca 0.23 1.51 0.01 0.00 0.02 0.00 0.00 56.10 57.87 1ael s TRP 82 Cb -0.14 -3.64 0.03 0.00 -1.15 0.00 0.00 33.47 28.57 1ael s TRP 82 CO -0.07 -1.30 0.25 0.25 0.02 0.00 0.00 176.95 176.10 1ael n THR 83 N 8.49 0.00 -0.28 2.01 -2.24 -0.95 -2.52 114.28 118.78 1ael n THR 83 Ca 0.43 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ael n THR 83 Cb 0.46 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1ael n THR 83 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1ael n MET 84 N -1.43 1.56 0.00 -0.78 0.00 -1.26 0.16 117.12 115.37 1ael n MET 84 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1ael n MET 84 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.39 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 0.00 0.07 3.17 2.13 0.52 -4.64 120.64 121.89 1ael n GLU 85 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1ael n GLU 85 Cb 0.00 0.00 0.35 0.00 0.27 0.00 0.00 31.44 32.06 1ael n GLU 85 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1ael h GLY 86 N 0.00 0.37 -0.04 8.31 0.00 -2.01 -3.38 103.07 106.33 1ael h GLY 86 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ael h GLY 86 CO 0.00 0.22 -0.00 1.16 0.00 0.00 0.00 176.54 177.91 1ael n ASN 87 N -4.26 0.00 -3.88 0.19 0.23 -1.26 -5.01 115.26 101.26 1ael n ASN 87 Ca 0.00 -1.01 -0.18 0.00 -0.53 0.00 0.00 54.58 52.86 1ael n ASN 87 Cb 0.27 -0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.81 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ael s LYS 88 N 0.00 0.53 0.00 -3.83 -2.85 -1.23 -4.53 119.74 107.83 1ael s LYS 88 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.91 1ael s LYS 88 Cb 0.00 -0.59 0.00 0.00 -2.06 0.00 0.00 37.83 35.18 1ael s LYS 88 CO 0.00 -0.05 0.00 -0.11 0.10 0.00 0.00 175.35 175.29 1ael n LEU 89 N 3.77 0.00 -3.32 2.77 0.00 -1.26 0.19 117.00 119.16 1ael n LEU 89 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 56.01 55.81 1ael n LEU 89 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.92 1ael n LEU 89 CO 0.24 -1.19 0.29 -0.69 0.00 0.00 0.00 177.39 176.03 1ael s VAL 90 N -0.74 -0.87 -1.60 1.96 1.01 0.43 -4.44 120.40 116.16 1ael s VAL 90 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 61.98 62.28 1ael s VAL 90 Cb 0.00 -1.00 0.63 0.00 0.00 0.00 0.00 36.38 36.01 1ael s VAL 90 CO 0.00 0.00 2.09 0.61 0.00 0.00 0.00 175.10 177.80 1ael n GLY 91 N 5.39 -1.19 6.40 4.51 0.00 0.85 -2.24 105.19 118.91 1ael n GLY 91 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ael n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 92 N -1.20 0.00 -3.25 1.61 4.76 -1.26 -4.06 118.16 114.76 1ael n LYS 92 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1ael n LYS 92 Cb 0.20 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 1ael n LYS 92 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1ael n PHE 93 N 0.00 0.00 0.00 2.13 1.16 -1.26 -0.16 117.46 119.33 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 -1.21 -2.84 118.16 123.10 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 0.54 -0.52 0.00 0.00 177.40 177.42 1ael n ARG 95 N 0.00 0.00 0.00 1.97 5.12 -1.26 -2.63 116.66 119.85 1ael n ARG 95 Ca 0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1ael n ARG 95 Cb 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ael n VAL 96 N -0.49 0.00 0.15 1.55 0.31 -1.26 -0.93 118.33 117.66 1ael n VAL 96 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1ael n VAL 96 Cb 0.00 0.00 0.78 0.00 -0.91 0.00 0.00 33.84 33.71 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 1.61 0.00 0.00 4.52 3.58 -1.92 -3.41 116.42 120.80 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ael h ASP 97 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ael h ASP 97 CO 0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16 1ael n ASN 98 N -3.85 0.00 0.00 2.28 2.85 -1.26 -5.12 115.26 110.16 1ael n ASN 98 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1ael n ASN 98 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ael n GLY 99 N -0.47 1.97 0.00 8.20 0.00 -1.26 -4.92 105.19 108.72 1ael n GLY 99 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.65 2.25 -3.04 1.61 4.01 -1.26 -4.81 118.16 117.57 1ael n LYS 100 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 1ael n LYS 100 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 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 -0.30 1.01 -0.04 1.97 1.02 -1.07 -3.31 120.64 119.92 1ael n GLU 101 Ca 0.00 -3.22 -0.01 0.00 -0.02 0.00 0.00 57.16 53.91 1ael n GLU 101 Cb 0.00 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.88 1ael n GLU 101 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 102 N 0.20 -0.11 -0.55 -4.62 4.77 -1.24 -1.11 117.00 114.34 1ael n LEU 102 Ca 0.20 0.93 -0.07 0.00 -0.03 0.00 0.00 56.01 57.03 1ael n LEU 102 Cb 0.70 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1ael n LEU 102 CO 0.20 -0.52 -0.07 -0.38 -1.33 0.00 0.00 177.39 175.30 1ael n ILE 103 N -3.11 0.00 -1.00 -0.08 2.08 0.77 0.23 119.36 118.26 1ael n ILE 103 Ca 0.00 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 103 Cb 0.03 -0.99 -0.00 0.00 -0.75 0.00 0.00 39.64 37.92 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 1.13 0.16 -2.44 -1.39 0.00 -1.23 -0.81 120.51 115.93 1ael n ALA 104 Ca -0.07 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 1ael n ALA 104 Cb 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 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 2.11 4.93 -0.06 0.00 0.11 -0.59 -0.11 120.40 126.79 1ael s VAL 105 Ca 0.01 1.02 0.14 0.00 -2.93 0.00 0.00 61.98 60.22 1ael s VAL 105 Cb 0.00 -3.81 -0.16 0.00 -1.53 0.00 0.00 36.38 30.88 1ael s VAL 105 CO 0.00 0.53 0.88 -0.09 -3.33 0.00 0.00 175.10 173.09 1ael h ARG 106 N 4.95 0.00 0.00 1.54 9.65 -1.82 2.20 114.38 130.91 1ael h ARG 106 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1ael h ARG 106 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1ael h ARG 106 CO 0.64 0.48 0.00 0.39 2.80 0.00 0.00 179.97 184.28 1ael n GLU 107 N -3.04 0.00 -0.48 0.20 1.02 -1.26 -2.06 120.64 115.02 1ael n GLU 107 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1ael n GLU 107 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.34 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 -1.80 -3.15 -3.67 3.06 -1.26 -3.57 119.36 108.97 1ael n ILE 108 Ca 0.00 0.63 0.04 0.00 -2.50 0.00 0.00 62.75 60.92 1ael n ILE 108 Cb 0.00 -0.91 -0.00 0.00 0.54 0.00 0.00 39.64 39.27 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 -2.89 -1.50 0.10 9.51 0.15 -1.26 -4.88 113.70 112.93 1ael s SER 109 Ca 0.00 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1ael s SER 109 Cb 0.00 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 1ael s SER 109 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ael n GLY 110 N 5.40 0.39 2.75 9.45 0.00 -1.26 -2.30 105.19 119.63 1ael n GLY 110 Ca 0.04 0.63 -0.32 0.00 0.00 0.00 0.00 46.02 46.38 1ael n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ael n ASN 111 N 3.83 5.12 -0.96 1.61 6.94 -1.26 -5.01 115.26 125.54 1ael n ASN 111 Ca 0.00 -3.60 0.00 0.00 -0.02 0.00 0.00 54.58 50.96 1ael n ASN 111 Cb 0.00 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 36.63 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ael n GLU 112 N 0.25 0.00 -0.72 -3.83 4.71 -0.97 -4.99 120.64 115.09 1ael n GLU 112 Ca 0.33 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.48 1ael n GLU 112 Cb 0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.79 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 -0.04 0.00 -4.62 4.77 -1.26 -4.24 117.00 111.61 1ael n LEU 113 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1ael n LEU 113 Cb 0.00 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ael n LEU 113 CO 0.00 0.64 0.00 -0.38 -1.33 0.00 0.00 177.39 176.32 1ael n ILE 114 N -0.01 0.00 -1.05 -0.08 2.08 -0.88 -4.41 119.36 115.01 1ael n ILE 114 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1ael n ILE 114 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 -1.80 0.38 1.13 -1.04 -1.02 117.38 115.03 1ael n GLN 115 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 1ael n GLN 115 Cb 0.00 -1.30 -0.07 0.00 0.11 0.00 0.00 30.24 28.98 1ael n GLN 115 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1ael s THR 116 N -2.07 3.22 -0.43 5.09 2.01 0.74 -2.44 115.64 121.77 1ael s THR 116 Ca 0.00 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1ael s THR 116 Cb 0.00 -3.72 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1ael s THR 116 CO 0.00 -0.45 0.26 -0.31 -0.69 0.00 0.00 174.62 173.43 1ael s TYR 117 N 13.24 3.43 -1.07 4.92 1.51 -0.83 -1.54 117.35 137.00 1ael s TYR 117 Ca 0.80 -1.91 -0.05 0.00 -1.01 0.00 0.00 57.07 54.91 1ael s TYR 117 Cb -0.08 -3.17 0.30 0.00 -0.11 0.00 0.00 41.96 38.90 1ael s TYR 117 CO 0.08 -0.93 1.38 2.41 -1.11 0.00 0.00 175.55 177.37 1ael n THR 118 N 4.81 5.06 0.30 -0.71 -1.04 0.62 0.90 114.28 124.22 1ael n THR 118 Ca -0.07 -5.79 0.17 0.00 -2.04 0.00 0.00 64.05 56.31 1ael n THR 118 Cb 0.42 -2.19 0.73 0.00 -1.82 0.00 0.00 70.33 67.46 1ael n THR 118 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 1ael h TYR 119 N 5.66 0.00 0.00 -1.42 -0.00 -1.03 -3.39 116.97 116.80 1ael h TYR 119 Ca 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.89 1ael h TYR 119 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.37 1ael h TYR 119 CO 0.95 0.00 -0.08 -1.91 -0.00 0.00 0.00 178.16 177.12 1ael n GLU 120 N -2.93 0.00 0.00 0.10 4.07 -1.26 -2.58 120.64 118.03 1ael n GLU 120 Ca 0.00 -0.28 0.00 0.00 -0.06 0.00 0.00 57.16 56.82 1ael n GLU 120 Cb 0.25 0.43 0.00 0.00 -0.06 0.00 0.00 31.44 32.06 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ael n GLY 121 N 0.00 1.10 2.72 8.31 0.00 -1.26 -5.02 105.19 111.04 1ael n GLY 121 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.74 2.15 -1.54 1.61 0.31 -1.26 -5.05 118.33 112.82 1ael n VAL 122 Ca 0.00 -5.30 -0.30 0.00 -0.01 0.00 0.00 64.34 58.73 1ael n VAL 122 Cb 0.00 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 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 -0.09 0.58 -3.31 5.55 2.13 -1.15 -4.27 120.64 120.09 1ael n GLU 123 Ca 0.29 -0.20 -0.41 0.00 0.66 0.00 0.00 57.16 57.50 1ael n GLU 123 Cb 0.47 -2.80 -0.08 0.00 0.27 0.00 0.00 31.44 29.30 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 10.73 3.48 0.00 4.31 0.00 0.26 -4.05 121.76 136.49 1ael s ALA 124 Ca 1.09 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1ael s ALA 124 Cb -0.48 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1ael s ALA 124 CO 0.31 -1.19 0.00 1.63 0.00 0.00 0.00 175.76 176.51 1ael n LYS 125 N 5.60 0.75 0.15 0.00 4.01 -1.02 -1.97 118.16 125.67 1ael n LYS 125 Ca -0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 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 3.00 -0.19 -0.56 116.66 120.88 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ael n ILE 127 N -3.19 0.00 -1.55 0.55 -0.00 -0.76 -4.01 119.36 110.41 1ael n ILE 127 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 1ael n ILE 127 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 39.67 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 0.90 0.26 0.02 1.39 1.16 -1.22 0.13 117.46 120.11 1ael n PHE 128 Ca 0.00 0.48 0.07 0.00 -1.87 0.00 0.00 57.45 56.13 1ael n PHE 128 Cb 0.00 -2.08 0.15 0.00 -1.61 0.00 0.00 39.48 35.94 1ael n PHE 128 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1ael n LYS 129 N -0.30 2.26 0.00 3.97 0.00 -1.25 -3.43 118.16 119.41 1ael n LYS 129 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 58.31 56.50 1ael n LYS 129 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.16 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ael n LYS 130 N 0.77 0.00 0.00 1.64 0.00 -1.26 -4.67 118.16 114.64 1ael n LYS 130 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1ael n LYS 130 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49