#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 2.41 0.02 0.00 -0.12 -1.26 -4.95 117.98 114.08 1ael s PHE 2 Ca 0.00 0.01 -0.06 0.00 -0.05 0.00 0.00 56.93 56.83 1ael s PHE 2 Cb 0.00 -4.55 -0.01 0.00 -0.63 0.00 0.00 43.02 37.83 1ael s PHE 2 CO 0.00 -1.90 0.10 0.16 -0.05 0.00 0.00 175.22 173.52 1ael s ASP 3 N 3.52 0.13 0.00 1.98 -4.77 -1.26 -4.33 116.67 111.95 1ael s ASP 3 Ca 0.35 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 49.19 1ael s ASP 3 Cb -0.09 0.20 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 1ael s ASP 3 CO 0.17 -0.44 0.00 0.61 0.70 0.00 0.00 175.17 176.21 1ael n GLY 4 N 1.10 -1.84 3.88 2.12 0.00 0.11 -4.82 105.19 105.73 1ael n GLY 4 Ca -0.21 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 4.76 0.00 2.61 -4.23 -1.26 0.47 115.64 117.99 1ael s THR 5 Ca 0.00 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1ael s THR 5 Cb 0.00 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1ael s THR 5 CO 0.00 -0.96 0.00 0.79 -0.54 0.00 0.00 174.62 173.91 1ael n TRP 6 N -2.36 0.00 0.00 3.99 5.03 -1.26 -4.15 117.44 118.69 1ael n TRP 6 Ca 0.04 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.57 1ael n TRP 6 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.82 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 -0.05 0.00 -2.89 -0.99 5.02 -1.26 -1.20 118.16 116.78 1ael n LYS 7 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1ael n LYS 7 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 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 -0.07 -0.33 -0.18 0.31 -1.19 -3.53 118.33 113.34 1ael n VAL 8 Ca 0.00 -2.59 0.18 0.00 -0.01 0.00 0.00 64.34 61.92 1ael n VAL 8 Cb 0.00 0.84 0.34 0.00 -0.91 0.00 0.00 33.84 34.12 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 0.39 -0.02 -4.36 4.52 -0.08 0.30 -4.40 116.55 112.91 1ael n ASP 9 Ca 0.13 1.64 -0.19 0.00 -1.51 0.00 0.00 54.79 54.85 1ael n ASP 9 Cb 0.68 -0.64 -0.10 0.00 2.34 0.00 0.00 41.12 43.40 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 -5.86 1.36 -0.29 -0.67 3.03 -0.85 -4.96 118.95 110.72 1ael s ARG 10 Ca -0.12 -1.61 0.00 0.00 2.03 0.00 0.00 55.73 56.04 1ael s ARG 10 Cb 0.29 -1.17 0.14 0.00 -1.03 0.00 0.00 34.95 33.18 1ael s ARG 10 CO 0.75 0.19 0.34 0.54 -1.13 0.00 0.00 175.30 176.00 1ael s ASN 11 N -3.34 1.13 -0.04 -2.89 2.20 -1.26 -3.86 114.94 106.89 1ael s ASN 11 Ca 0.23 -0.57 -0.10 0.00 -0.94 0.00 0.00 52.86 51.48 1ael s ASN 11 Cb -0.01 0.75 -0.05 0.00 -2.00 0.00 0.00 41.25 39.95 1ael s ASN 11 CO 0.08 -0.37 0.28 -1.83 -2.94 0.00 0.00 177.10 172.31 1ael s GLU 12 N 2.44 3.66 -0.01 3.55 4.04 0.17 -4.03 118.70 128.52 1ael s GLU 12 Ca 0.10 0.10 0.00 0.00 0.04 0.00 0.00 54.97 55.20 1ael s GLU 12 Cb -0.13 -3.17 0.00 0.00 0.02 0.00 0.00 34.13 30.84 1ael s GLU 12 CO -0.31 0.71 0.00 0.09 -1.84 0.00 0.00 175.26 173.91 1ael n ASN 13 N 1.72 -5.67 0.02 0.83 3.02 -1.26 -2.22 115.26 111.71 1ael n ASN 13 Ca -0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 1ael n ASN 13 Cb 0.53 -3.17 -0.12 0.00 -0.61 0.00 0.00 39.78 36.41 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 0.57 -0.64 3.10 5.03 -1.88 -2.45 116.97 120.70 1ael h TYR 14 Ca -0.00 -0.35 0.04 0.00 2.58 0.00 0.00 58.73 61.00 1ael h TYR 14 Cb 0.89 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 39.07 1ael h TYR 14 CO 0.56 1.20 0.37 1.49 -1.32 0.00 0.00 178.16 180.46 1ael h GLU 15 N -0.22 0.69 0.00 1.82 4.22 -1.89 -1.98 114.58 117.21 1ael h GLU 15 Ca -0.10 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.24 1ael h GLU 15 Cb 1.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ael h GLU 15 CO 0.13 0.45 -0.27 -0.22 -2.18 0.00 0.00 179.01 176.92 1ael h LYS 16 N 0.71 0.00 -0.42 1.92 3.64 -1.99 -3.03 116.57 117.40 1ael h LYS 16 Ca 0.27 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1ael h LYS 16 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1ael h LYS 16 CO -0.14 0.27 0.13 0.35 -2.27 0.00 0.00 179.45 177.78 1ael h PHE 17 N 0.00 0.68 -0.01 1.91 3.57 -0.85 -2.57 116.94 119.66 1ael h PHE 17 Ca -0.00 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 1ael h PHE 17 Cb 1.21 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.76 1ael h PHE 17 CO 0.00 0.63 -0.39 0.52 -2.23 0.00 0.00 178.31 176.83 1ael h MET 18 N 0.54 0.29 -0.66 1.11 2.86 -1.58 -3.35 114.93 114.13 1ael h MET 18 Ca 0.13 -0.29 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1ael h MET 18 Cb 0.27 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.88 1ael h MET 18 CO -0.00 0.99 -0.25 1.49 1.06 0.00 0.00 176.91 180.19 1ael h GLU 19 N -0.29 -0.07 0.00 1.72 4.57 -1.47 -2.25 114.58 116.79 1ael h GLU 19 Ca -0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ael h GLU 19 Cb 1.11 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1ael h GLU 19 CO 0.08 -0.05 -0.01 0.87 -1.18 0.00 0.00 179.01 178.72 1ael h LYS 20 N -0.07 0.00 -0.01 1.92 1.79 -1.59 -0.35 116.57 118.26 1ael h LYS 20 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1ael h LYS 20 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1ael h LYS 20 CO -0.71 0.01 -0.09 -1.33 -1.08 0.00 0.00 179.45 176.25 1ael n MET 21 N -3.34 0.99 0.00 3.15 2.81 -0.85 -4.84 117.12 115.04 1ael n MET 21 Ca -0.03 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.45 1ael n MET 21 Cb 0.09 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1ael n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ael n GLY 22 N 1.22 1.96 0.14 3.03 0.00 -0.29 -4.53 105.19 106.72 1ael n GLY 22 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1ael n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ael h ILE 23 N 0.00 1.19 -2.30 -0.61 5.03 -1.06 -3.44 117.51 116.32 1ael h ILE 23 Ca 0.00 -2.70 0.27 0.00 -0.12 0.00 0.00 64.86 62.32 1ael h ILE 23 Cb 0.00 2.93 -0.08 0.00 -3.03 0.00 0.00 36.82 36.64 1ael h ILE 23 CO 0.00 0.83 -0.45 0.59 -0.68 0.00 0.00 178.15 178.45 1ael n ASN 24 N -3.64 -6.08 0.26 1.72 4.13 -1.20 -4.49 115.26 105.96 1ael n ASN 24 Ca -0.18 0.50 0.16 0.00 1.68 0.00 0.00 54.58 56.73 1ael n ASN 24 Cb 1.08 -3.15 0.54 0.00 -1.54 0.00 0.00 39.78 36.71 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1ael h VAL 25 N -0.96 0.01 -0.99 2.41 -1.51 -1.95 -3.31 116.25 109.95 1ael h VAL 25 Ca -0.00 -0.66 0.26 0.00 -1.23 0.00 0.00 66.70 65.06 1ael h VAL 25 Cb 0.94 1.66 -0.06 0.00 -2.13 0.00 0.00 31.29 31.69 1ael h VAL 25 CO 0.01 0.00 0.67 -0.37 -1.23 0.00 0.00 177.57 176.66 1ael h VAL 26 N 0.00 0.55 0.05 7.19 -1.51 -2.02 1.00 116.25 121.51 1ael h VAL 26 Ca -0.00 -0.07 -0.23 0.00 -1.23 0.00 0.00 66.70 65.16 1ael h VAL 26 Cb 0.66 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.12 1ael h VAL 26 CO 0.00 0.04 -1.08 0.11 -1.23 0.00 0.00 177.57 175.40 1ael h LYS 27 N 0.21 0.11 -0.37 5.19 1.79 -1.79 -3.29 116.57 118.43 1ael h LYS 27 Ca 0.51 -0.19 0.11 0.00 -2.18 0.00 0.00 60.65 58.90 1ael h LYS 27 Cb 1.61 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.31 1ael h LYS 27 CO -0.13 1.08 0.35 -0.09 -1.08 0.00 0.00 179.45 179.58 1ael h ARG 28 N 0.03 0.00 -1.37 3.15 2.43 0.90 -2.68 114.38 116.84 1ael h ARG 28 Ca -0.06 0.00 0.40 0.00 -0.81 0.00 0.00 59.98 59.51 1ael h ARG 28 Cb 1.83 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.33 1ael h ARG 28 CO 0.16 0.00 1.19 0.87 -1.51 0.00 0.00 179.97 180.68 1ael h LYS 29 N 0.00 0.00 -2.48 0.20 6.56 -1.60 -1.18 116.57 118.07 1ael h LYS 29 Ca 0.18 0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 59.08 1ael h LYS 29 Cb 0.88 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.18 1ael h LYS 29 CO -0.00 0.00 -0.01 1.28 -2.06 0.00 0.00 179.45 178.66 1ael n LEU 30 N -3.67 4.94 0.00 2.94 4.77 -1.01 -5.03 117.00 119.95 1ael n LEU 30 Ca 0.31 -5.37 0.00 0.00 -0.03 0.00 0.00 56.01 50.92 1ael n LEU 30 Cb 1.61 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1ael n LEU 30 CO 0.34 1.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.94 1ael n GLY 31 N 0.96 0.00 3.63 -0.72 0.00 -0.45 -3.90 105.19 104.71 1ael n GLY 31 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael s ALA 32 N 0.00 3.26 -0.36 4.61 0.00 -1.26 -4.90 121.76 123.11 1ael s ALA 32 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.43 1ael s ALA 32 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 1ael s ALA 32 CO 0.00 -2.00 1.68 -1.01 0.00 0.00 0.00 175.76 174.44 1ael s HIS 33 N 5.58 1.98 0.51 0.00 0.09 -1.25 -4.81 115.29 117.39 1ael s HIS 33 Ca 0.81 0.64 0.00 0.00 -0.00 0.00 0.00 55.06 56.51 1ael s HIS 33 Cb -0.31 -4.19 0.00 0.00 -0.00 0.00 0.00 32.58 28.08 1ael s HIS 33 CO 0.33 -2.65 0.00 -0.25 -0.00 0.00 0.00 174.74 172.17 1ael n ASP 34 N 9.90 -6.58 -3.18 1.40 8.00 -1.26 -4.99 116.55 119.85 1ael n ASP 34 Ca 0.21 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.77 1ael n ASP 34 Cb 0.47 -4.40 -0.05 0.00 -0.02 0.00 0.00 41.12 37.12 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ael s ASN 35 N -6.86 0.06 -0.00 -2.24 2.47 -1.26 -4.98 114.94 102.14 1ael s ASN 35 Ca 0.00 -1.82 0.07 0.00 0.42 0.00 0.00 52.86 51.54 1ael s ASN 35 Cb 0.00 0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 40.73 1ael s ASN 35 CO 0.00 -0.17 -0.23 -1.48 -3.72 0.00 0.00 177.10 171.50 1ael s LEU 36 N 1.05 2.27 -0.87 3.21 2.34 -1.26 -3.91 118.68 121.52 1ael s LEU 36 Ca 0.24 -0.45 -0.25 0.00 0.06 0.00 0.00 54.13 53.74 1ael s LEU 36 Cb -0.05 -1.39 0.05 0.00 -0.56 0.00 0.00 46.19 44.23 1ael s LEU 36 CO -0.07 0.30 1.33 -0.75 -1.06 0.00 0.00 176.35 176.09 1ael s LYS 37 N -0.90 3.38 0.53 1.48 2.20 -1.25 -3.17 119.74 122.02 1ael s LYS 37 Ca 0.11 -0.74 0.29 0.00 -0.36 0.00 0.00 55.97 55.27 1ael s LYS 37 Cb -0.10 -4.73 1.44 0.00 -1.51 0.00 0.00 37.83 32.93 1ael s LYS 37 CO 0.01 -2.14 1.93 1.25 -0.36 0.00 0.00 175.35 176.04 1ael h LEU 38 N 12.69 0.01 0.00 5.43 7.12 -1.38 0.26 115.31 139.43 1ael h LEU 38 Ca -0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1ael h LEU 38 Cb 1.03 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1ael h LEU 38 CO 1.33 0.00 0.00 0.41 -0.13 0.00 0.00 178.44 180.05 1ael n THR 39 N -4.31 0.00 0.00 1.05 -1.04 -0.51 -1.57 114.28 107.89 1ael n THR 39 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1ael n THR 39 Cb 0.82 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 1ael n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ael n ILE 40 N 0.00 0.00 -3.37 12.58 5.41 0.18 -4.23 119.36 129.93 1ael n ILE 40 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1ael n ILE 40 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1ael n ILE 40 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ael s THR 41 N -0.15 -0.54 0.47 1.39 2.01 -1.12 0.06 115.64 117.77 1ael s THR 41 Ca 0.00 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 1ael s THR 41 Cb 0.00 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.54 1ael s THR 41 CO 0.00 -0.25 1.04 0.00 -0.69 0.00 0.00 174.62 174.73 1ael n GLN 42 N 5.35 1.35 -0.00 4.92 3.00 -1.26 -1.00 117.38 129.73 1ael n GLN 42 Ca -0.02 0.49 -0.01 0.00 -0.01 0.00 0.00 57.00 57.44 1ael n GLN 42 Cb 0.49 -2.14 -0.00 0.00 0.00 0.00 0.00 30.24 28.59 1ael n GLN 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1ael n GLU 43 N -0.16 0.03 0.00 -1.09 0.00 0.15 -4.76 120.64 114.82 1ael n GLU 43 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1ael n GLU 43 Cb 0.41 -0.55 0.00 0.00 0.00 0.00 0.00 31.44 31.30 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 44 N 2.95 -1.29 0.00 8.31 0.00 -1.26 -4.96 105.19 108.95 1ael n GLY 44 Ca -0.03 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.00 -4.61 1.61 3.02 -1.26 -4.97 115.26 109.05 1ael n ASN 45 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1ael n ASN 45 Cb 0.00 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 1ael n ASN 45 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ael s LYS 46 N 0.00 0.07 -0.08 3.52 -2.85 -1.26 -3.00 119.74 116.13 1ael s LYS 46 Ca 0.00 0.74 -0.03 0.00 -1.00 0.00 0.00 55.97 55.68 1ael s LYS 46 Cb 0.00 -1.68 0.04 0.00 -2.06 0.00 0.00 37.83 34.14 1ael s LYS 46 CO 0.00 -3.03 0.16 -0.06 0.10 0.00 0.00 175.35 172.52 1ael s PHE 47 N -2.75 -0.18 -0.94 1.78 0.40 -1.26 -0.67 117.98 114.35 1ael s PHE 47 Ca 0.66 0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 57.33 1ael s PHE 47 Cb -0.21 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.15 1ael s PHE 47 CO 0.60 -0.23 1.69 0.99 0.70 0.00 0.00 175.22 178.97 1ael s THR 48 N 1.79 3.67 0.16 0.64 2.01 -0.17 -4.03 115.64 119.71 1ael s THR 48 Ca -0.03 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1ael s THR 48 Cb -0.12 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 1ael s THR 48 CO -0.06 -1.44 0.30 0.68 -0.69 0.00 0.00 174.62 173.41 1ael s VAL 49 N 7.53 5.31 0.00 3.82 -7.23 0.20 -2.79 120.40 127.25 1ael s VAL 49 Ca 0.58 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1ael s VAL 49 Cb -0.04 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1ael s VAL 49 CO -0.04 -0.11 0.00 1.17 -0.31 0.00 0.00 175.10 175.81 1ael n LYS 50 N -0.62 1.64 0.00 4.82 4.81 -0.61 0.69 118.16 128.90 1ael n LYS 50 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1ael n LYS 50 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ael n GLU 51 N 0.00 0.00 -3.30 1.64 2.13 0.90 -1.91 120.64 120.10 1ael n GLU 51 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1ael n GLU 51 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1ael n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ael n SER 52 N 0.00 5.36 -0.68 4.31 2.88 -1.21 -3.78 113.62 120.50 1ael n SER 52 Ca 0.00 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1ael n SER 52 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ael n SER 53 N 1.94 1.26 0.00 -3.46 3.41 -1.25 -3.78 113.62 111.73 1ael n SER 53 Ca 0.25 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1ael n SER 53 Cb 0.37 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.31 0.00 -0.08 4.04 5.15 -1.25 -4.00 115.26 119.43 1ael n ASN 54 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 1ael n ASN 54 Cb 0.25 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.07 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ael n PHE 55 N -2.00 0.00 -0.01 1.20 3.72 -1.26 -4.93 117.46 114.18 1ael n PHE 55 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1ael n PHE 55 Cb 0.00 -0.59 -0.01 0.00 -0.94 0.00 0.00 39.48 37.94 1ael n PHE 55 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ael n ARG 56 N -4.04 0.16 -2.03 -1.08 0.63 -1.26 -5.12 116.66 103.92 1ael n ARG 56 Ca -0.29 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1ael n ARG 56 Cb 0.63 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 32.85 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1ael n ASN 57 N -3.44 -7.97 0.19 6.15 5.15 -1.26 -5.01 115.26 109.07 1ael n ASN 57 Ca -0.04 1.44 0.00 0.00 -0.60 0.00 0.00 54.58 55.37 1ael n ASN 57 Cb 0.16 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ael n ILE 58 N 1.46 0.00 0.00 -1.44 0.13 -1.25 -5.01 119.36 113.26 1ael n ILE 58 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ael n ILE 58 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 39.64 38.58 1ael n ILE 58 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1ael n ASP 59 N -3.44 0.00 -4.16 9.51 5.68 -1.26 -4.90 116.55 117.98 1ael n ASP 59 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 1ael n ASP 59 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1ael n ASP 59 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ael s VAL 60 N -2.14 1.23 -0.25 2.12 1.01 0.22 -4.90 120.40 117.69 1ael s VAL 60 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1ael s VAL 60 Cb 0.00 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1ael s VAL 60 CO 0.00 0.12 0.64 0.54 0.00 0.00 0.00 175.10 176.40 1ael s VAL 61 N -0.72 -0.00 -0.30 2.92 0.11 -1.26 0.59 120.40 121.74 1ael s VAL 61 Ca 0.04 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 58.92 1ael s VAL 61 Cb -0.08 -0.91 0.19 0.00 -1.53 0.00 0.00 36.38 34.05 1ael s VAL 61 CO 0.01 0.01 1.23 0.72 -3.33 0.00 0.00 175.10 173.73 1ael s PHE 62 N 1.11 -0.19 -0.65 1.54 -0.71 -1.26 -4.95 117.98 112.87 1ael s PHE 62 Ca -0.06 0.31 -0.10 0.00 -1.04 0.00 0.00 56.93 56.04 1ael s PHE 62 Cb -0.05 0.11 -0.20 0.00 -1.21 0.00 0.00 43.02 41.67 1ael s PHE 62 CO -0.11 -0.10 1.51 0.39 -1.34 0.00 0.00 175.22 175.57 1ael n GLU 63 N 4.76 0.00 0.00 1.99 1.02 -1.26 -3.94 120.64 123.21 1ael n GLU 63 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1ael n GLU 63 Cb 0.55 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 4.59 0.00 0.00 -4.62 4.77 -1.16 -3.87 117.00 116.70 1ael n LEU 64 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1ael n LEU 64 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ael n LEU 64 CO 0.68 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1ael n GLY 65 N 0.00 0.25 0.63 -0.72 0.00 -1.15 -4.44 105.19 99.75 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 -0.62 0.00 0.00 0.00 173.32 172.70 1ael n VAL 66 N 0.00 -2.64 -1.76 1.61 0.31 -1.25 -4.61 118.33 109.98 1ael n VAL 66 Ca 0.00 0.91 -0.42 0.00 -0.01 0.00 0.00 64.34 64.82 1ael n VAL 66 Cb 0.00 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1ael n VAL 66 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1ael s ASP 67 N -1.87 6.41 0.00 4.52 1.47 -1.26 -4.33 116.67 121.61 1ael s ASP 67 Ca 0.00 2.84 0.00 0.00 1.18 0.00 0.00 52.55 56.57 1ael s ASP 67 Cb 0.00 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 1ael s ASP 67 CO 0.00 -0.95 0.00 0.33 0.68 0.00 0.00 175.17 175.23 1ael n PHE 68 N 3.86 0.00 -1.58 2.11 -0.00 -1.23 -4.98 117.46 115.64 1ael n PHE 68 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1ael n PHE 68 Cb 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.81 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ael n ALA 69 N -1.63 -0.37 -3.59 3.13 0.00 -0.06 -4.93 120.51 113.06 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 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.97 1.09 0.18 0.00 5.04 0.59 -4.92 117.35 116.36 1ael s TYR 70 Ca 0.00 -1.65 -0.32 0.00 -2.44 0.00 0.00 57.07 52.67 1ael s TYR 70 Cb 0.00 -1.28 -0.16 0.00 0.35 0.00 0.00 41.96 40.87 1ael s TYR 70 CO 0.00 -0.83 0.98 -1.13 -1.34 0.00 0.00 175.55 173.23 1ael n SER 71 N 4.37 0.62 -3.90 4.32 3.41 0.10 -4.25 113.62 118.29 1ael n SER 71 Ca 0.04 1.15 -0.26 0.00 -0.26 0.00 0.00 58.87 59.55 1ael n SER 71 Cb 0.39 -1.14 -0.09 0.00 -0.26 0.00 0.00 64.21 63.11 1ael n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ael n LEU 72 N 1.79 0.48 0.00 1.04 -0.00 -1.26 -3.42 117.00 115.63 1ael n LEU 72 Ca 0.15 -1.58 0.00 0.00 -0.00 0.00 0.00 56.01 54.59 1ael n LEU 72 Cb 0.24 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1ael n LEU 72 CO 0.60 -2.23 0.00 0.00 -0.00 0.00 0.00 177.39 175.76 1ael n ALA 73 N 10.51 0.00 0.00 1.47 0.00 -1.26 -3.79 120.51 127.44 1ael n ALA 73 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1ael n ALA 73 Cb 0.41 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 5.68 -1.22 -5.11 116.55 115.90 1ael n ASP 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ael n ASP 74 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ael n GLY 75 N -0.92 0.00 0.00 6.12 0.00 -1.25 -4.85 105.19 104.29 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 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 76 N 0.00 0.00 0.04 2.61 5.66 -1.26 -4.87 114.28 116.46 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 0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 0.00 0.00 -2.97 1.09 4.71 -1.25 -4.58 120.64 117.64 1ael n GLU 77 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1ael n GLU 77 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 78 N -2.46 -6.20 0.00 -4.62 4.77 -1.23 0.22 117.00 107.48 1ael n LEU 78 Ca 0.00 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1ael n LEU 78 Cb 0.00 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 1ael n LEU 78 CO 0.00 -2.16 0.12 1.07 -1.33 0.00 0.00 177.39 175.10 1ael n THR 79 N 0.48 0.00 0.86 -5.08 5.66 -1.25 -0.88 114.28 114.06 1ael n THR 79 Ca 0.02 -0.38 0.13 0.00 -3.05 0.00 0.00 64.05 60.77 1ael n THR 79 Cb 0.32 1.16 0.54 0.00 -1.55 0.00 0.00 70.33 70.80 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 0.27 -1.51 0.00 1.09 0.00 -1.24 -3.48 105.19 100.33 1ael n GLY 80 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ael n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ael n THR 81 N -1.71 0.00 -3.66 2.61 -2.24 -1.26 -4.63 114.28 103.39 1ael n THR 81 Ca 0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1ael n THR 81 Cb 0.35 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 1ael n THR 81 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ael s TRP 82 N 0.00 -0.92 0.00 4.78 0.52 -1.24 -1.02 118.94 121.06 1ael s TRP 82 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.87 1ael s TRP 82 Cb 0.00 0.46 0.00 0.00 -1.15 0.00 0.00 33.47 32.78 1ael s TRP 82 CO 0.00 -0.51 0.00 0.25 0.02 0.00 0.00 176.95 176.71 1ael n THR 83 N 5.07 0.00 0.00 2.01 -2.24 0.54 -2.94 114.28 116.72 1ael n THR 83 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ael n THR 83 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.00 0.00 0.00 -0.78 0.00 -1.26 0.18 117.12 115.26 1ael n MET 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ael n MET 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.22 3.17 2.13 0.32 -4.47 120.64 122.01 1ael n GLU 85 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1ael n GLU 85 Cb 0.00 0.00 0.52 0.00 0.27 0.00 0.00 31.44 32.23 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 0.00 -0.90 8.31 0.00 -2.02 -3.36 103.07 105.10 1ael h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ael h GLY 86 CO 0.00 0.00 -0.16 1.16 0.00 0.00 0.00 176.54 177.54 1ael n ASN 87 N -3.66 0.00 -3.64 0.19 6.94 -1.26 -5.12 115.26 108.71 1ael n ASN 87 Ca -0.01 -1.32 -0.09 0.00 -0.02 0.00 0.00 54.58 53.14 1ael n ASN 87 Cb 0.36 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.65 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ael s LYS 88 N 0.00 0.53 1.25 -3.83 -2.85 -1.26 -4.58 119.74 109.00 1ael s LYS 88 Ca 0.00 0.64 -0.15 0.00 -1.00 0.00 0.00 55.97 55.46 1ael s LYS 88 Cb 0.00 0.25 0.32 0.00 -2.06 0.00 0.00 37.83 36.34 1ael s LYS 88 CO 0.00 -0.07 0.98 -0.11 0.10 0.00 0.00 175.35 176.25 1ael n LEU 89 N 2.35 -1.69 -3.17 2.77 7.94 -1.26 0.12 117.00 124.05 1ael n LEU 89 Ca -0.13 -0.33 0.02 0.00 -1.11 0.00 0.00 56.01 54.46 1ael n LEU 89 Cb 0.56 -1.20 -0.01 0.00 0.53 0.00 0.00 43.42 43.30 1ael n LEU 89 CO 0.02 -3.61 0.12 -0.69 -1.11 0.00 0.00 177.39 172.12 1ael s VAL 90 N -2.34 -0.95 0.53 1.96 1.01 0.47 -4.36 120.40 116.73 1ael s VAL 90 Ca 0.69 0.00 0.17 0.00 0.00 0.00 0.00 61.98 62.84 1ael s VAL 90 Cb -0.24 -0.26 0.17 0.00 0.00 0.00 0.00 36.38 36.05 1ael s VAL 90 CO 0.65 0.00 1.50 1.23 0.00 0.00 0.00 175.10 178.47 1ael h GLY 91 N 7.19 0.00 0.00 4.51 0.00 0.49 1.58 103.07 116.83 1ael h GLY 91 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ael h GLY 91 CO 0.10 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.81 1ael n LYS 92 N -2.56 0.00 -1.95 4.80 3.00 -1.22 -3.60 118.16 116.63 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 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 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 0.96 0.00 0.00 5.64 -1.74 -0.19 -0.27 117.46 121.86 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ael n PHE 93 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.26 -3.64 118.16 122.25 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 -3.87 116.66 118.62 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 95 Cb 0.00 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 -0.34 0.00 0.15 1.55 0.31 -1.26 -3.51 118.33 115.23 1ael n VAL 96 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.52 1ael n VAL 96 Cb 0.00 0.00 0.79 0.00 -0.91 0.00 0.00 33.84 33.72 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 0.00 0.00 4.52 3.58 -1.89 -3.42 116.42 119.22 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 -3.69 0.00 0.00 2.28 2.85 -1.26 -5.12 115.26 110.31 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 0.49 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.92 2.60 0.00 8.20 0.00 -1.26 -4.86 105.19 108.95 1ael n GLY 99 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 0.00 1.61 4.01 -1.26 -4.85 118.16 117.66 1ael n LYS 100 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ael n LYS 100 Cb 0.00 -0.02 0.00 0.00 -0.51 0.00 0.00 35.03 34.50 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 -1.51 0.00 -0.25 1.97 1.02 -1.26 -2.50 120.64 118.12 1ael n GLU 101 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1ael n GLU 101 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 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 0.00 -1.26 0.00 -4.62 3.38 -1.78 0.31 115.31 111.35 1ael h LEU 102 Ca 0.00 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ael h LEU 102 Cb 0.00 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ael h LEU 102 CO 0.00 -0.30 0.00 -0.38 0.09 0.00 0.00 178.44 177.85 1ael n ILE 103 N -5.44 0.00 -0.06 1.22 2.08 0.63 0.81 119.36 118.60 1ael n ILE 103 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1ael n ILE 103 Cb 0.36 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.63 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 0.02 -1.00 -1.39 0.00 -1.26 0.19 120.51 118.07 1ael n ALA 104 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ael n ALA 104 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1ael n ALA 104 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ael n VAL 105 N 0.23 0.00 0.00 0.00 0.24 -1.23 -0.43 118.33 117.14 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ael n VAL 105 Cb 0.02 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ael n ARG 106 N 0.00 0.00 0.00 7.34 3.00 -1.23 -4.57 116.66 121.20 1ael n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ael n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ael n GLU 107 N 0.00 0.00 -1.60 -0.14 -0.58 -1.25 -4.02 120.64 113.05 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ael n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1ael n ILE 108 N 0.00 -8.02 -3.57 -3.67 3.06 -1.25 -4.12 119.36 101.79 1ael n ILE 108 Ca 0.00 1.70 -0.02 0.00 -2.50 0.00 0.00 62.75 61.93 1ael n ILE 108 Cb 0.00 -4.42 -0.05 0.00 0.54 0.00 0.00 39.64 35.71 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 -0.30 -0.81 -0.09 9.51 0.15 -1.26 -4.90 113.70 116.00 1ael s SER 109 Ca 0.00 1.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.81 1ael s SER 109 Cb 0.00 1.73 0.01 0.00 -1.71 0.00 0.00 66.02 66.04 1ael s SER 109 CO 0.00 -0.17 0.04 0.61 1.20 0.00 0.00 173.24 174.92 1ael n GLY 110 N 4.76 -1.71 2.74 9.45 0.00 -1.26 -4.37 105.19 114.80 1ael n GLY 110 Ca -0.14 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1ael n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 111 N 1.59 -5.33 -0.94 1.61 4.13 -1.26 -4.99 115.26 110.08 1ael n ASN 111 Ca -0.07 1.30 0.00 0.00 1.68 0.00 0.00 54.58 57.49 1ael n ASN 111 Cb 0.29 -4.78 0.00 0.00 -1.54 0.00 0.00 39.78 33.75 1ael n ASN 111 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1ael n GLU 112 N 1.20 0.00 0.00 3.52 0.00 -1.26 -4.93 120.64 119.17 1ael n GLU 112 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 1ael n GLU 112 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.71 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ael n LEU 113 N 0.00 0.00 0.00 -1.84 4.77 -1.26 -4.52 117.00 114.16 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 -0.18 -0.08 2.08 -1.26 -3.57 119.36 116.35 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 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 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 -0.14 -0.22 -1.05 0.38 1.13 -1.26 -4.62 117.38 111.61 1ael n GLN 115 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1ael n GLN 115 Cb 0.05 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.38 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1ael n THR 116 N -0.04 0.00 -3.21 5.09 -1.04 -1.25 -4.27 114.28 109.56 1ael n THR 116 Ca 0.00 -0.49 -0.45 0.00 -2.04 0.00 0.00 64.05 61.06 1ael n THR 116 Cb 0.00 -0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.25 3.12 -1.08 -1.42 1.51 -1.12 -3.50 117.35 115.10 1ael s TYR 117 Ca 0.11 -1.09 -0.04 0.00 -1.01 0.00 0.00 57.07 55.05 1ael s TYR 117 Cb -0.07 -3.86 0.31 0.00 -0.11 0.00 0.00 41.96 38.24 1ael s TYR 117 CO 0.05 -1.14 1.52 2.41 -1.11 0.00 0.00 175.55 177.28 1ael n THR 118 N 5.40 5.39 -2.19 -0.71 -1.04 0.24 -1.08 114.28 120.28 1ael n THR 118 Ca -0.12 -5.92 -0.31 0.00 -2.04 0.00 0.00 64.05 55.66 1ael n THR 118 Cb 0.42 -2.04 -0.05 0.00 -1.82 0.00 0.00 70.33 66.84 1ael n THR 118 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ael s TYR 119 N -2.85 2.10 -0.94 -1.42 1.13 0.11 -4.00 117.35 111.48 1ael s TYR 119 Ca 0.32 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1ael s TYR 119 Cb 0.06 -4.20 0.00 0.00 -1.10 0.00 0.00 41.96 36.72 1ael s TYR 119 CO 0.09 -1.53 0.00 0.39 -2.51 0.00 0.00 175.55 172.00 1ael n GLU 120 N 8.53 -1.73 0.00 -3.49 -0.58 -1.04 -3.66 120.64 118.67 1ael n GLU 120 Ca 0.43 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.93 1ael n GLU 120 Cb 0.47 -5.09 0.00 0.00 -0.57 0.00 0.00 31.44 26.25 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ael n GLY 121 N 0.32 0.00 2.79 0.62 0.00 -1.26 -5.11 105.19 102.56 1ael n GLY 121 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1ael n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ael s VAL 122 N 0.00 -0.42 0.14 1.61 1.01 -1.24 -5.08 120.40 116.42 1ael s VAL 122 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1ael s VAL 122 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1ael s VAL 122 CO 0.00 -0.30 1.18 -0.70 0.00 0.00 0.00 175.10 175.28 1ael s GLU 123 N 2.39 4.49 -0.12 2.72 2.12 -1.10 -3.28 118.70 125.92 1ael s GLU 123 Ca 0.09 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.23 1ael s GLU 123 Cb -0.15 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1ael s GLU 123 CO -0.22 -0.12 -0.11 0.00 -0.54 0.00 0.00 175.26 174.27 1ael s ALA 124 N 0.33 1.53 0.00 6.30 0.00 -0.24 -4.64 121.76 125.04 1ael s ALA 124 Ca 0.54 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1ael s ALA 124 Cb -0.31 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1ael s ALA 124 CO 0.33 -0.30 0.00 1.63 0.00 0.00 0.00 175.76 177.43 1ael n LYS 125 N 4.66 0.00 0.00 0.00 4.01 -0.94 -2.81 118.16 123.08 1ael n LYS 125 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1ael n LYS 125 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 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 -1.26 0.45 116.66 122.94 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 -1.22 0.55 -0.00 -1.25 -4.75 119.36 112.69 1ael n ILE 127 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.37 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 -0.59 -2.87 0.56 1.39 1.16 -1.23 0.11 117.46 115.99 1ael n PHE 128 Ca 0.00 0.35 0.06 0.00 -1.87 0.00 0.00 57.45 55.99 1ael n PHE 128 Cb 0.00 -1.69 0.02 0.00 -1.61 0.00 0.00 39.48 36.20 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 1.26 1.46 -0.14 3.97 0.00 -1.25 -3.56 118.16 119.90 1ael n LYS 129 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 58.31 57.42 1ael n LYS 129 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.31 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 0.21 0.00 0.00 1.64 0.00 -1.26 -4.71 118.16 114.04 1ael n LYS 130 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1ael n LYS 130 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.26 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49