#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 0.00 -1.68 0.00 3.01 -1.26 -4.91 117.46 112.62 1ael n PHE 2 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 1ael n PHE 2 Cb 0.00 -0.57 -0.04 0.00 -0.01 0.00 0.00 39.48 38.86 1ael n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ael n ASP 3 N 0.00 3.41 0.00 4.37 5.68 -1.25 -4.25 116.55 124.51 1ael n ASP 3 Ca 0.00 1.00 0.00 0.00 -0.50 0.00 0.00 54.79 55.29 1ael n ASP 3 Cb 0.00 -1.40 0.00 0.00 -1.14 0.00 0.00 41.12 38.58 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ael n GLY 4 N 4.14 0.98 3.53 6.12 0.00 0.53 -4.95 105.19 115.55 1ael n GLY 4 Ca 0.21 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 1ael n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ael n THR 5 N -0.70 0.00 -3.58 2.61 -2.24 -1.26 0.22 114.28 109.33 1ael n THR 5 Ca 0.00 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1ael n THR 5 Cb 0.00 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1ael n THR 5 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ael s TRP 6 N -2.49 -0.02 0.00 4.78 0.23 -1.26 -4.05 118.94 116.12 1ael s TRP 6 Ca 0.65 -0.02 0.00 0.00 -2.03 0.00 0.00 56.10 54.70 1ael s TRP 6 Cb -0.22 0.52 0.00 0.00 0.03 0.00 0.00 33.47 33.79 1ael s TRP 6 CO 0.62 -0.11 0.00 1.63 0.96 0.00 0.00 176.95 180.06 1ael n LYS 7 N -0.50 0.00 -2.86 4.98 5.02 -1.26 -1.71 118.16 121.83 1ael n LYS 7 Ca -0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1ael n LYS 7 Cb 0.64 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.70 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 -0.06 -0.34 -0.18 0.31 -1.26 -3.56 118.33 113.24 1ael n VAL 8 Ca 0.00 -2.35 0.32 0.00 -0.01 0.00 0.00 64.34 62.30 1ael n VAL 8 Cb 0.00 0.97 0.58 0.00 -0.91 0.00 0.00 33.84 34.49 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 0.42 0.29 -3.76 4.52 -0.08 0.23 -4.54 116.55 113.64 1ael n ASP 9 Ca 0.11 1.49 -0.22 0.00 -1.51 0.00 0.00 54.79 54.67 1ael n ASP 9 Cb 0.68 -0.73 -0.08 0.00 2.34 0.00 0.00 41.12 43.33 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 -5.36 1.80 -0.23 -0.67 3.03 -0.96 -4.99 118.95 111.58 1ael s ARG 10 Ca -0.08 -2.07 -0.08 0.00 2.03 0.00 0.00 55.73 55.53 1ael s ARG 10 Cb 0.31 -0.11 0.10 0.00 -1.03 0.00 0.00 34.95 34.22 1ael s ARG 10 CO 0.75 -0.56 0.49 0.54 -1.13 0.00 0.00 175.30 175.39 1ael s ASN 11 N -3.47 -0.53 -0.09 -2.89 2.20 -1.26 -4.24 114.94 104.66 1ael s ASN 11 Ca 0.33 1.16 0.05 0.00 -0.94 0.00 0.00 52.86 53.46 1ael s ASN 11 Cb 0.03 1.57 -0.00 0.00 -2.00 0.00 0.00 41.25 40.85 1ael s ASN 11 CO 0.21 -0.23 -0.24 -0.70 -2.94 0.00 0.00 177.10 173.20 1ael s GLU 12 N 2.58 2.91 0.00 3.55 -6.30 -1.04 -4.60 118.70 115.80 1ael s GLU 12 Ca -0.04 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.55 1ael s GLU 12 Cb -0.12 -2.27 0.00 0.00 0.00 0.00 0.00 34.13 31.75 1ael s GLU 12 CO -0.15 0.24 0.00 0.09 0.02 0.00 0.00 175.26 175.46 1ael n ASN 13 N 3.35 -3.84 -0.09 -1.70 5.03 -1.26 -1.39 115.26 115.36 1ael n ASN 13 Ca -0.19 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.18 1ael n ASN 13 Cb 0.53 -2.88 0.08 0.00 -1.02 0.00 0.00 39.78 36.48 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1ael h TYR 14 N 0.00 0.91 0.05 3.10 5.03 -1.89 -1.28 116.97 122.88 1ael h TYR 14 Ca 0.00 -0.21 -0.06 0.00 2.58 0.00 0.00 58.73 61.03 1ael h TYR 14 Cb 0.61 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 38.68 1ael h TYR 14 CO 0.38 0.95 -0.28 1.49 -1.32 0.00 0.00 178.16 179.38 1ael h GLU 15 N 0.69 0.10 -0.00 1.82 4.81 -1.90 -3.31 114.58 116.78 1ael h GLU 15 Ca 0.09 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1ael h GLU 15 Cb 0.76 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1ael h GLU 15 CO 0.06 1.08 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.95 1ael h LYS 16 N -0.78 0.00 0.00 1.92 3.64 -1.97 -0.31 116.57 119.08 1ael h LYS 16 Ca -0.05 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1ael h LYS 16 Cb 1.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1ael h LYS 16 CO 0.05 0.26 -0.27 0.27 -2.27 0.00 0.00 179.45 177.49 1ael h PHE 17 N 0.00 0.00 0.02 1.91 -0.00 -1.36 -2.88 116.94 114.63 1ael h PHE 17 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 1ael h PHE 17 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.40 1ael h PHE 17 CO 0.00 0.27 -0.09 0.52 -0.00 0.00 0.00 178.31 179.01 1ael h MET 18 N 0.00 0.04 -0.79 6.09 2.86 -1.58 -3.32 114.93 118.22 1ael h MET 18 Ca -0.00 -0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.76 1ael h MET 18 Cb 1.04 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.60 1ael h MET 18 CO 0.04 1.03 0.21 1.05 1.06 0.00 0.00 176.91 180.29 1ael h GLU 19 N -0.93 0.27 0.00 1.72 4.11 -0.99 -1.50 114.58 117.26 1ael h GLU 19 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ael h GLU 19 Cb 1.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1ael h GLU 19 CO 0.02 0.18 0.00 0.87 0.07 0.00 0.00 179.01 180.14 1ael h LYS 20 N 0.27 0.00 -0.32 1.06 1.57 -1.66 -2.83 116.57 114.67 1ael h LYS 20 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1ael h LYS 20 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ael h LYS 20 CO -0.55 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.33 1ael n MET 21 N -3.08 1.57 0.00 3.15 0.00 -0.57 -4.80 117.12 113.37 1ael n MET 21 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 57.70 56.99 1ael n MET 21 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.44 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 0.71 1.70 3.59 3.17 0.00 -1.19 -4.64 105.19 108.53 1ael n GLY 22 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 5.27 0.66 -0.61 1.09 -1.07 -4.79 121.20 119.75 1ael s ILE 23 Ca 0.00 0.25 0.02 0.00 -1.10 0.00 0.00 60.65 59.82 1ael s ILE 23 Cb 0.00 -3.59 0.10 0.00 -1.06 0.00 0.00 42.46 37.92 1ael s ILE 23 CO 0.00 0.21 0.91 0.20 -0.10 0.00 0.00 174.94 176.16 1ael s ASN 24 N 1.73 4.66 0.55 3.58 0.01 -1.26 -4.26 114.94 119.94 1ael s ASN 24 Ca 0.09 -0.43 0.34 0.00 -0.71 0.00 0.00 52.86 52.15 1ael s ASN 24 Cb -0.16 -0.07 1.38 0.00 0.41 0.00 0.00 41.25 42.81 1ael s ASN 24 CO 0.11 -1.63 1.99 -0.37 -1.51 0.00 0.00 177.10 175.69 1ael h VAL 25 N -0.27 0.02 -0.07 1.60 -1.51 -1.98 -3.21 116.25 110.83 1ael h VAL 25 Ca -0.36 -0.52 0.02 0.00 -1.23 0.00 0.00 66.70 64.62 1ael h VAL 25 Cb 1.28 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.94 1ael h VAL 25 CO 0.42 0.01 0.23 0.58 -1.23 0.00 0.00 177.57 177.57 1ael h VAL 26 N 0.00 0.12 0.00 7.19 2.07 -2.03 1.10 116.25 124.70 1ael h VAL 26 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1ael h VAL 26 Cb 0.51 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1ael h VAL 26 CO 0.00 0.00 -0.76 0.11 0.02 0.00 0.00 177.57 176.94 1ael h LYS 27 N 0.00 0.00 -0.14 1.57 1.79 -1.94 -3.26 116.57 114.59 1ael h LYS 27 Ca 0.03 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1ael h LYS 27 Cb 0.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1ael h LYS 27 CO -0.00 0.76 0.16 -0.09 -1.08 0.00 0.00 179.45 179.19 1ael h ARG 28 N 0.00 0.00 0.00 3.15 9.65 0.11 1.14 114.38 128.43 1ael h ARG 28 Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1ael h ARG 28 Cb 1.59 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.16 1ael h ARG 28 CO 0.10 0.00 -0.11 0.87 2.80 0.00 0.00 179.97 183.63 1ael h LYS 29 N 0.00 0.00 0.00 0.20 1.79 -1.62 -3.33 116.57 113.62 1ael h LYS 29 Ca 0.06 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.32 1ael h LYS 29 Cb 0.37 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.88 1ael h LYS 29 CO -0.00 0.11 -0.33 1.47 -1.08 0.00 0.00 179.45 179.62 1ael n LEU 30 N -4.32 -2.03 -4.12 2.94 -0.00 -0.46 -5.14 117.00 103.87 1ael n LEU 30 Ca -0.03 -3.36 -0.16 0.00 -0.00 0.00 0.00 56.01 52.47 1ael n LEU 30 Cb 0.18 0.61 -0.04 0.00 -0.00 0.00 0.00 43.42 44.17 1ael n LEU 30 CO 0.35 1.92 0.12 -0.83 -0.00 0.00 0.00 177.39 178.95 1ael s GLY 31 N -1.09 1.68 -1.47 1.47 0.00 0.38 -4.89 107.32 103.39 1ael s GLY 31 Ca 0.21 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 1ael s GLY 31 CO -0.07 -1.07 0.64 0.00 0.00 0.00 0.00 173.10 172.59 1ael n ALA 32 N -0.60 -1.04 -1.04 3.20 0.00 -1.26 -4.73 120.51 115.03 1ael n ALA 32 Ca 0.02 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1ael n ALA 32 Cb 0.61 -3.77 0.05 0.00 0.00 0.00 0.00 19.45 16.34 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 -4.42 0.00 -1.43 0.00 -0.00 -1.26 -4.90 115.22 103.22 1ael n HIS 33 Ca -0.07 -0.47 -0.50 0.00 -0.00 0.00 0.00 57.72 56.68 1ael n HIS 33 Cb 0.59 -0.08 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 1ael n HIS 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ael n ASP 34 N -0.63 1.73 -3.27 0.26 9.92 -1.26 -4.50 116.55 118.81 1ael n ASP 34 Ca 0.06 0.35 -0.04 0.00 -0.53 0.00 0.00 54.79 54.63 1ael n ASP 34 Cb 0.54 -1.20 -0.05 0.00 -0.64 0.00 0.00 41.12 39.78 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ael s ASN 35 N 7.68 -0.38 0.15 -2.24 3.84 -1.26 -4.67 114.94 118.07 1ael s ASN 35 Ca 1.13 0.37 0.00 0.00 0.21 0.00 0.00 52.86 54.57 1ael s ASN 35 Cb -0.95 1.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.26 1ael s ASN 35 CO 0.50 -0.29 0.00 0.00 -2.79 0.00 0.00 177.10 174.52 1ael n LEU 36 N 5.39 -1.33 -2.67 3.21 -0.00 -1.26 -4.58 117.00 115.76 1ael n LEU 36 Ca -0.02 0.61 0.01 0.00 -0.00 0.00 0.00 56.01 56.61 1ael n LEU 36 Cb 0.51 1.56 0.01 0.00 -0.00 0.00 0.00 43.42 45.50 1ael n LEU 36 CO 0.03 0.09 0.55 -0.75 -0.00 0.00 0.00 177.39 177.32 1ael s LYS 37 N -1.94 0.03 0.21 1.47 2.20 -1.21 -4.72 119.74 115.78 1ael s LYS 37 Ca 0.00 -0.01 -0.09 0.00 -0.36 0.00 0.00 55.97 55.51 1ael s LYS 37 Cb 0.00 0.00 0.28 0.00 -1.51 0.00 0.00 37.83 36.61 1ael s LYS 37 CO 0.00 -0.04 1.76 1.25 -0.36 0.00 0.00 175.35 177.96 1ael h LEU 38 N 4.95 0.33 -0.71 5.43 7.12 -1.49 -2.48 115.31 128.46 1ael h LEU 38 Ca -0.05 0.07 0.19 0.00 0.13 0.00 0.00 57.88 58.21 1ael h LEU 38 Cb 1.24 0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 41.28 1ael h LEU 38 CO -0.12 0.20 -1.14 0.41 -0.13 0.00 0.00 178.44 177.66 1ael n THR 39 N -4.93 -1.88 -3.43 1.05 -1.04 -0.96 0.14 114.28 103.24 1ael n THR 39 Ca 0.09 1.20 -0.07 0.00 -2.04 0.00 0.00 64.05 63.22 1ael n THR 39 Cb 0.26 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.78 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 -4.87 -0.66 -0.23 12.58 1.01 0.59 -2.62 121.20 127.00 1ael s ILE 40 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1ael s ILE 40 Cb 0.00 -0.79 0.05 0.00 0.01 0.00 0.00 42.46 41.73 1ael s ILE 40 CO 0.00 -0.05 -0.07 -0.89 0.00 0.00 0.00 174.94 173.93 1ael s THR 41 N 2.60 1.61 0.24 2.92 2.01 -1.03 0.20 115.64 124.19 1ael s THR 41 Ca 0.09 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 1ael s THR 41 Cb -0.14 -1.80 -0.10 0.00 0.01 0.00 0.00 72.50 70.46 1ael s THR 41 CO -0.15 -0.02 1.43 -1.58 -0.69 0.00 0.00 174.62 173.61 1ael s GLN 42 N 1.37 4.28 0.00 4.92 2.00 -1.26 0.12 119.66 131.09 1ael s GLN 42 Ca -0.05 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 55.58 1ael s GLN 42 Cb -0.18 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.51 1ael s GLN 42 CO -0.07 -0.41 0.00 -1.91 -0.50 0.00 0.00 175.29 172.41 1ael n GLU 43 N 2.44 0.00 0.04 1.67 0.00 -0.46 -4.80 120.64 119.52 1ael n GLU 43 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1ael n GLU 43 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 31.70 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 2.41 -0.24 0.31 8.31 0.00 -1.26 -4.99 105.19 109.73 1ael n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.75 0.00 -3.29 1.61 3.02 -1.26 -5.04 115.26 107.55 1ael n ASN 45 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1ael n ASN 45 Cb 0.00 -0.25 0.29 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.81 -3.20 -0.22 3.52 -2.85 -1.26 -4.39 119.74 110.52 1ael s LYS 46 Ca 0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 55.97 54.88 1ael s LYS 46 Cb 0.00 -1.35 0.07 0.00 -2.06 0.00 0.00 37.83 34.48 1ael s LYS 46 CO 0.00 -5.03 0.54 -0.59 0.10 0.00 0.00 175.35 170.37 1ael s PHE 47 N -2.26 -0.78 -0.93 1.78 -0.12 -1.26 -1.36 117.98 113.04 1ael s PHE 47 Ca 0.69 1.64 -0.21 0.00 -0.05 0.00 0.00 56.93 59.00 1ael s PHE 47 Cb -0.11 0.40 -0.12 0.00 -0.63 0.00 0.00 43.02 42.56 1ael s PHE 47 CO 0.57 -0.41 1.96 2.41 -0.05 0.00 0.00 175.22 179.70 1ael n THR 48 N 4.09 2.12 -3.07 -4.49 -1.04 0.32 -4.05 114.28 108.17 1ael n THR 48 Ca -0.21 -1.92 -0.32 0.00 -2.04 0.00 0.00 64.05 59.56 1ael n THR 48 Cb 0.57 -2.34 -0.05 0.00 -1.82 0.00 0.00 70.33 66.68 1ael n THR 48 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ael s VAL 49 N 5.55 4.71 0.00 12.58 1.01 -1.26 -2.47 120.40 140.52 1ael s VAL 49 Ca 0.57 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ael s VAL 49 Cb 0.12 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1ael s VAL 49 CO 0.09 -0.27 0.00 0.29 0.00 0.00 0.00 175.10 175.21 1ael n LYS 50 N -0.61 0.00 0.00 2.72 5.02 0.96 -1.96 118.16 124.30 1ael n LYS 50 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ael n LYS 50 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -4.16 1.97 2.13 0.38 -1.97 120.64 118.98 1ael n GLU 51 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1ael n GLU 51 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1ael n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ael s SER 52 N -1.85 5.08 0.00 4.31 0.01 -1.07 -3.70 113.70 116.48 1ael s SER 52 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ael s SER 52 Cb 0.00 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1ael s SER 52 CO 0.00 0.06 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 1ael n SER 53 N -0.40 0.00 -1.69 2.44 3.41 -1.26 -3.34 113.62 112.77 1ael n SER 53 Ca -0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.47 1ael n SER 53 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 5.47 0.00 4.04 2.85 -1.26 -4.49 115.26 121.86 1ael n ASN 54 Ca 0.00 -2.51 0.00 0.00 -0.11 0.00 0.00 54.58 51.96 1ael n ASN 54 Cb 0.00 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 39.82 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 1.61 0.00 -0.02 1.20 3.72 -1.26 -4.94 117.46 117.77 1ael n PHE 55 Ca 0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 1ael n PHE 55 Cb 0.61 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.47 0.68 -1.95 -1.08 0.63 -1.26 -5.06 116.66 108.15 1ael n ARG 56 Ca 0.00 0.26 -0.01 0.00 -0.92 0.00 0.00 57.85 57.18 1ael n ARG 56 Cb 0.00 -1.74 -0.01 0.00 0.45 0.00 0.00 32.46 31.16 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 -3.19 -4.50 -3.64 6.15 5.15 -1.26 -4.99 115.26 108.98 1ael n ASN 57 Ca -0.24 1.02 -0.00 0.00 -0.60 0.00 0.00 54.58 54.76 1ael n ASN 57 Cb 1.06 -3.58 -0.00 0.00 -0.53 0.00 0.00 39.78 36.73 1ael n ASN 57 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ael s ILE 58 N -0.38 0.00 0.05 -1.44 2.07 -1.24 -4.95 121.20 115.30 1ael s ILE 58 Ca -0.07 -0.40 0.09 0.00 -1.41 0.00 0.00 60.65 58.86 1ael s ILE 58 Cb 0.00 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.27 1ael s ILE 58 CO 0.18 0.00 -0.26 1.51 -1.91 0.00 0.00 174.94 174.47 1ael s ASP 59 N -3.17 3.06 -0.21 4.50 -4.77 -1.26 -2.67 116.67 112.15 1ael s ASP 59 Ca 0.17 -0.58 -0.03 0.00 -3.30 0.00 0.00 52.55 48.81 1ael s ASP 59 Cb 0.01 -0.27 0.07 0.00 -1.09 0.00 0.00 42.92 41.64 1ael s ASP 59 CO -0.00 0.24 0.06 -0.69 0.70 0.00 0.00 175.17 175.48 1ael s VAL 60 N -0.81 0.45 -0.24 2.11 1.01 -0.83 -4.97 120.40 117.12 1ael s VAL 60 Ca 0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1ael s VAL 60 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1ael s VAL 60 CO 0.02 -0.31 0.26 -0.69 0.00 0.00 0.00 175.10 174.38 1ael s VAL 61 N 1.88 5.28 -0.21 2.92 1.01 -1.26 -4.07 120.40 125.95 1ael s VAL 61 Ca 0.01 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1ael s VAL 61 Cb -0.17 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1ael s VAL 61 CO -0.12 0.28 0.49 0.72 0.00 0.00 0.00 175.10 176.47 1ael s PHE 62 N 1.37 -0.78 0.00 5.22 -0.71 -1.26 -4.95 117.98 116.88 1ael s PHE 62 Ca 0.12 1.57 -0.04 0.00 -1.04 0.00 0.00 56.93 57.55 1ael s PHE 62 Cb -0.14 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1ael s PHE 62 CO 0.07 -0.42 0.60 0.39 -1.34 0.00 0.00 175.22 174.52 1ael n GLU 63 N 4.47 0.00 0.00 1.99 1.02 -1.26 -4.09 120.64 122.77 1ael n GLU 63 Ca -0.20 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1ael n GLU 63 Cb 0.55 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 4.09 0.00 -3.77 -4.62 4.32 -1.26 -4.43 117.00 111.33 1ael n LEU 64 Ca 0.05 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.77 1ael n LEU 64 Cb 0.26 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 41.89 1ael n LEU 64 CO 0.35 0.00 -0.38 -0.83 -1.22 0.00 0.00 177.39 175.31 1ael s GLY 65 N 0.00 0.73 -0.02 -0.72 0.00 -1.15 -2.82 107.32 103.34 1ael s GLY 65 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 1ael s GLY 65 CO 0.00 1.29 0.04 0.14 0.00 0.00 0.00 173.10 174.57 1ael s VAL 66 N 1.82 -0.06 0.66 1.40 1.01 -1.26 -4.90 120.40 119.08 1ael s VAL 66 Ca -0.00 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1ael s VAL 66 Cb -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1ael s VAL 66 CO -0.07 0.09 0.52 -0.90 0.00 0.00 0.00 175.10 174.73 1ael n ASP 67 N 4.16 -1.14 0.00 3.32 5.68 -1.23 -4.66 116.55 122.68 1ael n ASP 67 Ca -0.27 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 1ael n ASP 67 Cb 0.50 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.29 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1ael n PHE 68 N -2.10 0.00 -1.38 2.11 3.72 -1.26 -4.98 117.46 113.56 1ael n PHE 68 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1ael n PHE 68 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.38 0.00 -3.82 4.37 0.00 -1.10 -4.89 120.51 112.69 1ael n ALA 69 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ael n ALA 69 Cb 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.39 3.15 0.83 0.00 5.04 -1.26 -4.39 117.35 118.34 1ael s TYR 70 Ca 0.00 -1.86 -0.16 0.00 -2.44 0.00 0.00 57.07 52.62 1ael s TYR 70 Cb 0.00 -2.03 -0.13 0.00 0.35 0.00 0.00 41.96 40.15 1ael s TYR 70 CO 0.00 -0.80 -0.77 -1.13 -1.34 0.00 0.00 175.55 171.51 1ael n SER 71 N 4.59 -4.62 -4.52 4.32 3.41 -1.26 -2.63 113.62 112.91 1ael n SER 71 Ca -0.15 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1ael n SER 71 Cb 0.45 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1ael n SER 71 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ael s LEU 72 N 6.64 3.76 0.00 1.04 1.98 -1.26 -4.53 118.68 126.31 1ael s LEU 72 Ca 0.33 -1.01 0.00 0.00 -2.89 0.00 0.00 54.13 50.56 1ael s LEU 72 Cb -0.11 -2.51 0.00 0.00 0.66 0.00 0.00 46.19 44.23 1ael s LEU 72 CO 0.67 -1.57 0.00 0.00 -1.89 0.00 0.00 176.35 173.55 1ael n ALA 73 N 8.53 -0.70 0.00 5.97 0.00 -1.26 -1.11 120.51 131.93 1ael n ALA 73 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ael n ALA 73 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ael n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ael n ASP 74 N 0.35 0.00 0.00 0.00 9.92 -1.26 -5.13 116.55 120.43 1ael n ASP 74 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ael n ASP 74 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.00 0.23 0.00 0.44 0.00 -0.27 -4.74 105.19 100.85 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 0.00 2.61 5.66 -1.26 -4.92 114.28 116.37 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 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.89 0.00 -3.15 1.09 4.71 -1.26 -4.27 120.64 116.87 1ael n GLU 77 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1ael n GLU 77 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 1ael n GLU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ael n LEU 78 N 0.00 -1.20 -4.91 -4.62 7.94 -1.08 -4.04 117.00 109.09 1ael n LEU 78 Ca 0.00 -4.04 -0.27 0.00 -1.11 0.00 0.00 56.01 50.59 1ael n LEU 78 Cb 0.00 0.64 0.01 0.00 0.53 0.00 0.00 43.42 44.60 1ael n LEU 78 CO 0.00 1.94 0.47 -0.89 -1.11 0.00 0.00 177.39 177.80 1ael s THR 79 N 0.01 4.62 0.00 1.96 2.01 -1.04 -2.69 115.64 120.50 1ael s THR 79 Ca 0.33 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1ael s THR 79 Cb 0.08 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1ael s THR 79 CO -0.15 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.61 1ael n GLY 80 N -2.35 0.37 0.00 4.40 0.00 -1.26 -0.94 105.19 105.41 1ael n GLY 80 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ael n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 81 N 0.00 0.00 -0.38 2.61 5.66 -1.21 -3.48 114.28 117.48 1ael n THR 81 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1ael n THR 81 Cb 0.00 0.00 0.29 0.00 -1.55 0.00 0.00 70.33 69.07 1ael n THR 81 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ael s TRP 82 N 0.00 -0.80 0.00 1.09 0.52 -1.01 -4.65 118.94 114.09 1ael s TRP 82 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.64 1ael s TRP 82 Cb 0.00 -2.90 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 1ael s TRP 82 CO 0.00 -5.07 0.00 0.25 0.02 0.00 0.00 176.95 172.15 1ael n THR 83 N -5.69 0.00 -2.51 2.01 -2.24 0.46 -2.92 114.28 103.39 1ael n THR 83 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1ael n THR 83 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.62 0.54 0.00 -0.78 0.00 -1.26 0.27 117.12 115.26 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 0.00 3.17 0.00 0.19 -4.85 120.64 119.15 1ael n GLU 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ael n GLU 85 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.33 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 86 N -0.28 1.12 0.82 8.31 0.00 -1.26 -4.90 105.19 109.00 1ael n GLY 86 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.03 1ael n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 87 N 0.00 2.88 -3.65 1.61 4.13 -1.26 -4.77 115.26 114.20 1ael n ASN 87 Ca 0.00 -1.84 -0.02 0.00 1.68 0.00 0.00 54.58 54.40 1ael n ASN 87 Cb 0.00 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.02 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1ael s LYS 88 N -1.24 0.01 0.00 3.52 -2.85 -1.15 -4.27 119.74 113.76 1ael s LYS 88 Ca 0.27 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.25 1ael s LYS 88 Cb 0.16 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 1ael s LYS 88 CO 0.23 -0.00 0.00 -0.11 0.10 0.00 0.00 175.35 175.56 1ael n LEU 89 N 1.00 0.00 -3.00 2.77 0.00 -1.26 0.55 117.00 117.06 1ael n LEU 89 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.00 1ael n LEU 89 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.00 1ael n LEU 89 CO 0.04 -0.44 0.41 -0.69 0.00 0.00 0.00 177.39 176.71 1ael s VAL 90 N -0.75 -0.40 0.46 1.96 1.01 0.75 -4.57 120.40 118.86 1ael s VAL 90 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 61.98 62.27 1ael s VAL 90 Cb 0.00 -0.19 0.49 0.00 0.00 0.00 0.00 36.38 36.68 1ael s VAL 90 CO 0.00 0.00 1.74 1.23 0.00 0.00 0.00 175.10 178.07 1ael h GLY 91 N 6.55 0.77 -3.34 4.51 0.00 0.73 0.13 103.07 112.41 1ael h GLY 91 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ael h GLY 91 CO -0.04 -0.14 0.00 1.17 0.00 0.00 0.00 176.54 177.53 1ael n LYS 92 N -4.45 -0.45 -4.12 4.80 0.00 -1.11 -3.37 118.16 109.45 1ael n LYS 92 Ca 0.29 0.43 -0.12 0.00 0.00 0.00 0.00 58.31 58.92 1ael n LYS 92 Cb 1.19 -0.43 -0.07 0.00 0.00 0.00 0.00 35.03 35.72 1ael n LYS 92 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1ael s PHE 93 N 0.00 0.91 -0.33 5.64 0.40 -1.26 -2.40 117.98 120.94 1ael s PHE 93 Ca 0.00 -1.16 -0.00 0.00 -0.60 0.00 0.00 56.93 55.17 1ael s PHE 93 Cb 0.00 -0.24 0.19 0.00 0.51 0.00 0.00 43.02 43.48 1ael s PHE 93 CO 0.00 -0.86 0.78 0.15 0.70 0.00 0.00 175.22 176.00 1ael s LYS 94 N -3.89 0.46 0.00 0.44 1.02 -0.12 -4.03 119.74 113.63 1ael s LYS 94 Ca 0.32 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1ael s LYS 94 Cb 0.03 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1ael s LYS 94 CO 0.13 -0.77 0.00 0.54 -0.92 0.00 0.00 175.35 174.34 1ael n ARG 95 N 4.83 1.42 0.00 1.68 5.12 -1.26 -2.50 116.66 125.95 1ael n ARG 95 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1ael n ARG 95 Cb 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.87 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 -1.16 0.00 0.32 1.55 0.31 -1.26 -3.99 118.33 114.10 1ael n VAL 96 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 1ael n VAL 96 Cb 0.00 0.21 1.05 0.00 -0.91 0.00 0.00 33.84 34.20 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 -1.90 -3.40 116.42 119.22 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 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 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 -3.16 0.00 0.00 2.28 2.85 -1.26 -5.10 115.26 110.87 1ael n ASN 98 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1ael n ASN 98 Cb 0.18 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.20 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 -0.64 1.51 1.57 8.20 0.00 -1.26 -4.97 105.19 109.60 1ael n GLY 99 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 0.14 0.61 -2.77 1.61 4.76 -1.26 -4.77 118.16 116.48 1ael n LYS 100 Ca 0.00 -1.18 -0.11 0.00 -2.87 0.00 0.00 58.31 54.15 1ael n LYS 100 Cb 0.00 -0.17 0.03 0.00 -1.84 0.00 0.00 35.03 33.05 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ael n GLU 101 N -1.61 1.11 -0.27 1.97 1.02 -1.26 -3.46 120.64 118.15 1ael n GLU 101 Ca 0.07 -3.09 -0.07 0.00 -0.02 0.00 0.00 57.16 54.04 1ael n GLU 101 Cb 0.24 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.04 -0.68 0.00 -4.62 4.77 -1.26 -1.84 117.00 113.34 1ael n LEU 102 Ca 0.11 1.32 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1ael n LEU 102 Cb 0.79 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1ael n LEU 102 CO 0.22 -1.02 0.00 -0.38 -1.33 0.00 0.00 177.39 174.88 1ael n ILE 103 N -4.53 0.00 0.00 -0.08 2.08 -1.26 0.17 119.36 115.74 1ael n ILE 103 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ael n ILE 103 Cb 0.17 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 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 -1.00 -1.39 0.00 -1.26 0.23 120.51 118.09 1ael n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ael n ALA 104 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1ael n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ael n VAL 105 N 0.00 0.00 0.00 0.00 0.31 -0.14 0.23 118.33 118.74 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 105 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ael n ARG 106 N 0.00 0.00 0.00 5.55 3.00 0.19 -4.42 116.66 120.98 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 -1.45 -0.14 -0.58 -1.12 -0.48 120.64 116.87 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 -5.24 -3.59 -3.67 3.06 -1.26 -2.95 119.36 105.71 1ael n ILE 108 Ca 0.00 0.85 -0.01 0.00 -2.50 0.00 0.00 62.75 61.09 1ael n ILE 108 Cb 0.00 -3.94 -0.04 0.00 0.54 0.00 0.00 39.64 36.19 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 -0.17 -0.96 -0.09 9.51 0.15 -1.26 -4.76 113.70 116.12 1ael s SER 109 Ca -0.02 1.34 -0.07 0.00 0.70 0.00 0.00 55.95 57.91 1ael s SER 109 Cb 0.00 2.01 0.03 0.00 -1.71 0.00 0.00 66.02 66.35 1ael s SER 109 CO 0.04 -0.19 0.13 0.61 1.20 0.00 0.00 173.24 175.03 1ael n GLY 110 N 5.15 -5.43 3.26 9.45 0.00 -1.26 -4.47 105.19 111.89 1ael n GLY 110 Ca -0.12 1.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 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 1.81 -5.88 -1.03 1.61 3.02 -1.26 -4.90 115.26 108.63 1ael n ASN 111 Ca -0.23 0.14 -0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1ael n ASN 111 Cb 0.35 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1ael n ASN 111 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1ael n GLU 112 N 0.62 0.01 0.00 3.52 0.00 -1.26 -4.97 120.64 118.56 1ael n GLU 112 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1ael n GLU 112 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 31.44 32.04 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 -2.39 -1.84 4.77 -1.25 -4.76 117.00 111.53 1ael n LEU 113 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1ael n LEU 113 Cb 0.01 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1ael n LEU 113 CO 0.00 0.00 0.90 2.30 -1.33 0.00 0.00 177.39 179.26 1ael n ILE 114 N 0.00 0.00 0.31 -0.08 -0.00 0.37 -4.31 119.36 115.65 1ael n ILE 114 Ca 0.00 -0.28 0.14 0.00 -0.00 0.00 0.00 62.75 62.61 1ael n ILE 114 Cb 0.00 0.00 0.72 0.00 -0.00 0.00 0.00 39.64 40.36 1ael n ILE 114 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ael h GLN 115 N 5.65 0.00 -4.33 6.28 1.08 -1.81 0.54 115.11 122.53 1ael h GLN 115 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ael h GLN 115 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1ael h GLN 115 CO 0.76 0.00 0.00 2.41 -0.95 0.00 0.00 178.83 181.05 1ael n THR 116 N -2.76 0.00 -3.29 -0.54 -1.04 -1.24 -0.96 114.28 104.46 1ael n THR 116 Ca -0.02 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.56 1ael n THR 116 Cb 0.40 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.83 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 -2.47 3.15 -0.99 -1.42 1.51 -1.20 -3.36 117.35 112.58 1ael s TYR 117 Ca 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1ael s TYR 117 Cb 0.00 -3.21 0.30 0.00 -0.11 0.00 0.00 41.96 38.94 1ael s TYR 117 CO 0.00 -0.85 1.38 2.41 -1.11 0.00 0.00 175.55 177.38 1ael n THR 118 N 5.42 4.86 -2.02 -0.71 -1.04 0.46 0.12 114.28 121.37 1ael n THR 118 Ca -0.09 -5.82 -0.43 0.00 -2.04 0.00 0.00 64.05 55.67 1ael n THR 118 Cb 0.45 -2.03 -0.03 0.00 -1.82 0.00 0.00 70.33 66.91 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 -2.88 1.84 -1.40 -1.42 1.13 -0.77 -3.39 117.35 110.47 1ael s TYR 119 Ca 0.33 0.62 -0.10 0.00 -1.41 0.00 0.00 57.07 56.51 1ael s TYR 119 Cb 0.08 -4.14 0.07 0.00 -1.10 0.00 0.00 41.96 36.87 1ael s TYR 119 CO 0.07 -2.91 0.63 0.39 -2.51 0.00 0.00 175.55 171.22 1ael n GLU 120 N 8.40 -4.13 -0.80 -3.49 1.02 -1.26 -2.58 120.64 117.80 1ael n GLU 120 Ca 0.22 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1ael n GLU 120 Cb 0.47 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.53 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 -1.36 1.14 2.57 0.62 0.00 -1.22 -5.05 105.19 101.89 1ael n GLY 121 Ca -0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.27 -0.47 -1.85 1.61 0.31 -1.07 -5.08 118.33 110.50 1ael n VAL 122 Ca 0.00 -2.24 -0.41 0.00 -0.01 0.00 0.00 64.34 61.68 1ael n VAL 122 Cb 0.17 -0.13 -0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1ael n VAL 122 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ael s GLU 123 N 0.31 4.10 -0.18 5.55 2.12 -1.18 -3.41 118.70 126.00 1ael s GLU 123 Ca 0.32 2.50 -0.01 0.00 0.36 0.00 0.00 54.97 58.14 1ael s GLU 123 Cb 0.08 -2.95 0.05 0.00 0.26 0.00 0.00 34.13 31.57 1ael s GLU 123 CO -0.14 -0.51 -0.02 0.00 -0.54 0.00 0.00 175.26 174.05 1ael s ALA 124 N -1.14 1.37 0.22 6.30 0.00 0.12 -4.66 121.76 123.97 1ael s ALA 124 Ca 0.53 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 1ael s ALA 124 Cb -0.45 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1ael s ALA 124 CO 0.61 -0.95 0.67 -1.59 0.00 0.00 0.00 175.76 174.50 1ael s LYS 125 N 1.68 1.54 0.00 0.00 0.00 -0.48 -3.23 119.74 119.25 1ael s LYS 125 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.22 1ael s LYS 125 Cb -0.16 0.59 0.00 0.00 0.00 0.00 0.00 37.83 38.26 1ael s LYS 125 CO -0.07 -0.69 0.00 0.54 0.00 0.00 0.00 175.35 175.12 1ael n ARG 126 N -0.42 0.00 0.00 1.78 5.12 -1.26 -2.50 116.66 119.38 1ael n ARG 126 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1ael n ARG 126 Cb 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.92 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 -2.30 0.00 -1.03 0.55 -0.00 -1.26 -4.80 119.36 110.52 1ael n ILE 127 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.39 1ael n ILE 127 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 39.64 39.68 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 -1.15 -4.54 0.46 1.39 1.16 -1.23 0.76 117.46 114.31 1ael n PHE 128 Ca 0.00 0.06 0.05 0.00 -1.87 0.00 0.00 57.45 55.69 1ael n PHE 128 Cb 0.00 -1.50 -0.06 0.00 -1.61 0.00 0.00 39.48 36.31 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 1.98 3.37 -0.88 3.97 0.00 -1.26 -3.60 118.16 121.75 1ael n LYS 129 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ael n LYS 129 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.57 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 -1.28 0.00 0.00 1.64 0.00 -1.26 -4.74 118.16 112.52 1ael n LYS 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1ael n LYS 130 Cb 0.17 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 34.74 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49