#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 -1.63 0.00 3.72 -1.26 -4.91 117.46 113.38 1ael n PHE 2 Ca 0.00 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 56.90 1ael n PHE 2 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1ael n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ael n ASP 3 N 0.00 2.26 0.00 4.37 5.75 -1.24 -4.26 116.55 123.43 1ael n ASP 3 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.88 1ael n ASP 3 Cb 0.00 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 38.81 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ael n GLY 4 N 2.95 0.50 3.93 6.12 0.00 0.47 -4.94 105.19 114.22 1ael n GLY 4 Ca 0.18 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.28 4.20 0.00 2.61 -4.23 -1.26 0.19 115.64 116.88 1ael s THR 5 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1ael s THR 5 Cb 0.00 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ael s THR 5 CO 0.00 -0.54 0.00 0.79 -0.54 0.00 0.00 174.62 174.33 1ael n TRP 6 N -2.29 0.00 0.00 3.99 5.03 -1.26 -4.12 117.44 118.78 1ael n TRP 6 Ca 0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1ael n TRP 6 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.85 1ael n TRP 6 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ael n LYS 7 N -0.08 0.00 -2.81 -0.99 5.02 -1.26 -1.48 118.16 116.56 1ael n LYS 7 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1ael n LYS 7 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 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 0.05 -0.27 -0.18 0.31 -1.21 -3.54 118.33 113.49 1ael n VAL 8 Ca 0.00 -2.29 0.13 0.00 -0.01 0.00 0.00 64.34 62.17 1ael n VAL 8 Cb 0.00 0.95 0.26 0.00 -0.91 0.00 0.00 33.84 34.14 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 0.11 -0.05 -4.47 4.52 -0.08 0.32 -4.53 116.55 112.37 1ael n ASP 9 Ca 0.08 1.34 -0.27 0.00 -1.51 0.00 0.00 54.79 54.43 1ael n ASP 9 Cb 0.73 -0.50 -0.09 0.00 2.34 0.00 0.00 41.12 43.60 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 -5.67 1.93 -0.26 -0.67 3.03 -0.85 -4.96 118.95 111.52 1ael s ARG 10 Ca -0.10 -2.16 -0.02 0.00 2.03 0.00 0.00 55.73 55.49 1ael s ARG 10 Cb 0.24 -1.12 0.13 0.00 -1.03 0.00 0.00 34.95 33.16 1ael s ARG 10 CO 0.61 -0.29 0.30 0.54 -1.13 0.00 0.00 175.30 175.34 1ael s ASN 11 N -3.67 1.22 -0.04 -2.89 4.22 -1.26 -4.24 114.94 108.28 1ael s ASN 11 Ca 0.24 -0.40 0.05 0.00 -2.14 0.00 0.00 52.86 50.61 1ael s ASN 11 Cb 0.05 0.64 -0.02 0.00 1.28 0.00 0.00 41.25 43.20 1ael s ASN 11 CO 0.12 -0.35 -0.18 -0.70 -2.04 0.00 0.00 177.10 173.95 1ael s GLU 12 N 2.40 2.40 -1.51 3.55 2.56 0.16 -4.51 118.70 123.75 1ael s GLU 12 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.30 1ael s GLU 12 Cb -0.15 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 33.70 1ael s GLU 12 CO -0.24 0.60 0.00 0.09 -0.56 0.00 0.00 175.26 175.15 1ael n ASN 13 N 2.36 -5.49 -0.04 -1.70 3.02 -1.26 -1.77 115.26 110.38 1ael n ASN 13 Ca -0.17 0.35 -0.16 0.00 -0.03 0.00 0.00 54.58 54.57 1ael n ASN 13 Cb 0.52 -4.25 -0.14 0.00 -0.61 0.00 0.00 39.78 35.30 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 -2.33 0.84 -0.05 3.10 4.19 -1.26 -3.74 117.16 117.92 1ael n TYR 14 Ca -0.14 0.22 -0.14 0.00 3.31 0.00 0.00 57.90 61.15 1ael n TYR 14 Cb 0.60 -1.12 -0.12 0.00 0.49 0.00 0.00 39.34 39.19 1ael n TYR 14 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1ael h GLU 15 N 0.03 0.01 0.00 2.98 3.07 -1.89 -3.30 114.58 115.49 1ael h GLU 15 Ca -0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 1ael h GLU 15 Cb 2.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.94 1ael h GLU 15 CO 0.05 0.81 -0.10 -0.22 -1.40 0.00 0.00 179.01 178.15 1ael h LYS 16 N -0.78 0.00 0.00 2.33 3.64 -1.99 -2.83 116.57 116.93 1ael h LYS 16 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ael h LYS 16 Cb 0.82 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1ael h LYS 16 CO 0.00 0.10 -0.25 0.35 -2.27 0.00 0.00 179.45 177.39 1ael h PHE 17 N 0.00 0.00 0.00 1.91 3.57 -1.65 -2.40 116.94 118.38 1ael h PHE 17 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ael h PHE 17 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1ael h PHE 17 CO 0.00 0.25 -0.00 0.52 -2.23 0.00 0.00 178.31 176.84 1ael h MET 18 N 0.00 -0.01 -0.74 1.11 2.86 -1.60 -3.36 114.93 113.20 1ael h MET 18 Ca -0.00 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 1ael h MET 18 Cb 0.62 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1ael h MET 18 CO 0.03 0.82 0.14 1.49 1.06 0.00 0.00 176.91 180.45 1ael h GLU 19 N -0.98 0.22 0.00 1.72 4.81 -1.34 -2.32 114.58 116.68 1ael h GLU 19 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ael h GLU 19 Cb 0.83 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1ael h GLU 19 CO 0.00 0.15 0.00 0.87 -0.73 0.00 0.00 179.01 179.30 1ael h LYS 20 N 0.23 0.00 -0.00 1.92 1.57 -1.57 -0.63 116.57 118.08 1ael h LYS 20 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1ael h LYS 20 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1ael h LYS 20 CO -0.54 0.00 -0.03 -1.33 -0.57 0.00 0.00 179.45 176.98 1ael n MET 21 N -3.08 0.90 0.00 3.15 2.81 -0.88 -4.83 117.12 115.18 1ael n MET 21 Ca -0.01 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1ael n MET 21 Cb 0.23 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.15 1.50 3.55 3.03 0.00 -0.29 -4.79 105.19 109.34 1ael n GLY 22 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 3.18 0.92 -0.61 1.09 -0.89 -4.90 121.20 118.00 1ael s ILE 23 Ca 0.00 0.11 -0.16 0.00 -1.10 0.00 0.00 60.65 59.50 1ael s ILE 23 Cb 0.00 -3.45 -0.10 0.00 -1.06 0.00 0.00 42.46 37.84 1ael s ILE 23 CO 0.00 -0.43 -0.41 0.59 -0.10 0.00 0.00 174.94 174.59 1ael n ASN 24 N 14.11 -4.71 0.29 3.58 5.03 -1.26 -4.42 115.26 127.88 1ael n ASN 24 Ca 0.29 0.28 0.18 0.00 0.87 0.00 0.00 54.58 56.20 1ael n ASN 24 Cb 0.53 -0.89 0.79 0.00 -1.02 0.00 0.00 39.78 39.19 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ael h VAL 25 N -0.98 0.01 -0.23 2.41 -1.51 -1.97 -3.13 116.25 110.84 1ael h VAL 25 Ca -0.44 -0.42 0.07 0.00 -1.23 0.00 0.00 66.70 64.68 1ael h VAL 25 Cb 1.31 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1ael h VAL 25 CO 0.28 0.00 0.19 0.58 -1.23 0.00 0.00 177.57 177.40 1ael h VAL 26 N 0.00 0.72 0.00 7.19 2.07 -2.02 0.53 116.25 124.74 1ael h VAL 26 Ca -0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1ael h VAL 26 Cb 0.41 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1ael h VAL 26 CO 0.00 0.00 -0.79 0.11 0.02 0.00 0.00 177.57 176.91 1ael h LYS 27 N 0.00 0.00 -0.61 1.57 1.79 -1.89 -3.32 116.57 114.11 1ael h LYS 27 Ca 0.11 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.76 1ael h LYS 27 Cb 0.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1ael h LYS 27 CO -0.00 0.79 0.45 -0.09 -1.08 0.00 0.00 179.45 179.52 1ael h ARG 28 N 0.00 0.00 0.00 3.15 1.12 -0.02 0.18 114.38 118.81 1ael h ARG 28 Ca -0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1ael h ARG 28 Cb 1.61 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.57 1ael h ARG 28 CO 0.10 0.00 -0.39 1.57 -3.11 0.00 0.00 179.97 178.14 1ael h LYS 29 N 0.00 0.00 0.32 0.20 -0.00 -1.65 -3.33 116.57 112.10 1ael h LYS 29 Ca 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.92 1ael h LYS 29 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1ael h LYS 29 CO -0.00 0.05 -0.15 1.25 -0.00 0.00 0.00 179.45 180.59 1ael h LEU 30 N 0.00 -0.36 0.00 7.07 6.46 -0.82 -3.49 115.31 124.17 1ael h LEU 30 Ca -0.01 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1ael h LEU 30 Cb 1.05 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1ael h LEU 30 CO 0.01 -0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.19 1ael n GLY 31 N -1.01 -0.17 0.00 3.75 0.00 -1.20 -4.80 105.19 101.76 1ael n GLY 31 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.47 1.48 0.27 4.61 0.00 -1.26 -4.67 120.51 120.47 1ael n ALA 32 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.19 1ael n ALA 32 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.22 1ael n ALA 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ael h HIS 33 N 0.00 0.00 -1.72 0.00 6.17 -1.95 -3.43 115.15 114.22 1ael h HIS 33 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 1ael h HIS 33 Cb 0.29 0.00 0.07 0.00 2.52 0.00 0.00 27.41 30.28 1ael h HIS 33 CO 0.00 0.05 -0.03 -0.25 0.71 0.00 0.00 177.93 178.41 1ael n ASP 34 N -3.99 -2.39 -0.86 3.26 8.00 -1.26 -4.96 116.55 114.35 1ael n ASP 34 Ca -0.03 -0.37 0.10 0.00 0.71 0.00 0.00 54.79 55.20 1ael n ASP 34 Cb 0.14 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1ael n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ael n ASN 35 N -3.83 -4.71 0.00 -2.24 5.15 -1.26 -4.84 115.26 103.53 1ael n ASN 35 Ca 0.04 0.87 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 1ael n ASN 35 Cb 0.19 -2.97 0.00 0.00 -0.53 0.00 0.00 39.78 36.47 1ael n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ael n LEU 36 N -3.41 0.00 -4.57 1.20 -0.00 -1.26 -4.39 117.00 104.56 1ael n LEU 36 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.82 1ael n LEU 36 Cb 0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.72 1ael n LEU 36 CO 0.02 0.00 1.10 1.17 -0.00 0.00 0.00 177.39 179.68 1ael n LYS 37 N 0.00 0.20 -0.31 1.47 4.81 -1.25 -3.30 118.16 119.77 1ael n LYS 37 Ca 0.00 -1.50 0.10 0.00 -0.87 0.00 0.00 58.31 56.03 1ael n LYS 37 Cb 0.00 -3.89 0.26 0.00 0.02 0.00 0.00 35.03 31.42 1ael n LYS 37 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ael h LEU 38 N 22.66 0.59 -0.66 3.14 7.12 -1.61 -0.41 115.31 146.14 1ael h LEU 38 Ca 0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1ael h LEU 38 Cb 1.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1ael h LEU 38 CO 1.00 0.21 -0.64 0.41 -0.13 0.00 0.00 178.44 179.29 1ael n THR 39 N -4.86 -3.32 -3.69 1.05 -1.04 -0.55 -1.17 114.28 100.71 1ael n THR 39 Ca 0.20 1.54 -0.22 0.00 -2.04 0.00 0.00 64.05 63.53 1ael n THR 39 Cb 0.50 -2.18 -0.18 0.00 -1.82 0.00 0.00 70.33 66.65 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 -3.71 0.04 -0.24 12.58 1.01 0.51 -2.85 121.20 128.55 1ael s ILE 40 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1ael s ILE 40 Cb 0.00 -0.33 0.04 0.00 0.01 0.00 0.00 42.46 42.18 1ael s ILE 40 CO 0.00 0.14 -0.09 -0.89 0.00 0.00 0.00 174.94 174.09 1ael s THR 41 N 2.10 2.53 0.07 2.92 2.01 0.00 0.18 115.64 125.46 1ael s THR 41 Ca 0.04 -1.22 -0.24 0.00 0.31 0.00 0.00 61.69 60.58 1ael s THR 41 Cb -0.13 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 1ael s THR 41 CO -0.04 0.16 0.73 -1.58 -0.69 0.00 0.00 174.62 173.20 1ael s GLN 42 N 1.25 4.47 0.42 4.92 0.74 -1.26 0.31 119.66 130.50 1ael s GLN 42 Ca -0.02 1.03 0.07 0.00 0.05 0.00 0.00 55.36 56.48 1ael s GLN 42 Cb -0.17 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1ael s GLN 42 CO -0.06 0.40 0.16 -2.00 -0.55 0.00 0.00 175.29 173.23 1ael s GLU 43 N -0.44 2.19 0.30 1.67 -6.30 0.32 -4.89 118.70 111.54 1ael s GLU 43 Ca 0.36 -1.92 0.19 0.00 -2.50 0.00 0.00 54.97 51.10 1ael s GLU 43 Cb -0.21 -1.92 1.06 0.00 0.00 0.00 0.00 34.13 33.06 1ael s GLU 43 CO 0.23 -0.14 1.19 0.41 0.02 0.00 0.00 175.26 176.97 1ael n GLY 44 N -1.22 -0.59 0.25 -1.50 0.00 -1.26 -4.09 105.19 96.78 1ael n GLY 44 Ca -0.02 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1ael n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 45 N -4.56 0.00 -4.11 1.61 3.02 -1.26 -5.13 115.26 104.83 1ael n ASN 45 Ca 0.29 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.54 1ael n ASN 45 Cb 1.04 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 40.36 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ael n LYS 46 N -1.19 -1.53 -3.67 3.52 4.81 -1.26 -4.37 118.16 114.47 1ael n LYS 46 Ca 0.00 -0.44 -0.14 0.00 -0.87 0.00 0.00 58.31 56.86 1ael n LYS 46 Cb 0.00 -1.56 -0.14 0.00 0.02 0.00 0.00 35.03 33.36 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1ael s PHE 47 N -2.17 -0.37 -0.87 5.64 -0.71 -1.23 0.12 117.98 118.40 1ael s PHE 47 Ca 0.50 0.88 -0.25 0.00 -1.04 0.00 0.00 56.93 57.02 1ael s PHE 47 Cb -0.07 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1ael s PHE 47 CO 0.60 -0.32 1.93 0.99 -1.34 0.00 0.00 175.22 177.08 1ael s THR 48 N 2.24 3.44 -0.13 -4.49 2.01 0.15 -3.72 115.64 115.14 1ael s THR 48 Ca 0.00 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1ael s THR 48 Cb -0.12 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1ael s THR 48 CO -0.08 -0.96 0.03 -0.69 -0.69 0.00 0.00 174.62 172.23 1ael s VAL 49 N 9.88 4.55 0.00 3.82 1.01 -0.94 -0.82 120.40 137.89 1ael s VAL 49 Ca 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1ael s VAL 49 Cb -0.07 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ael s VAL 49 CO 0.02 0.55 0.00 1.17 0.00 0.00 0.00 175.10 176.83 1ael n LYS 50 N 2.76 0.00 0.00 2.72 4.81 -0.32 0.58 118.16 128.71 1ael n LYS 50 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1ael n LYS 50 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 -2.18 1.64 2.13 -0.18 -2.82 120.64 119.23 1ael n GLU 51 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1ael n GLU 51 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 7.42 -3.26 4.31 2.88 -1.09 -3.57 113.62 120.31 1ael n SER 52 Ca 0.00 -3.22 -0.15 0.00 -1.33 0.00 0.00 58.87 54.17 1ael n SER 52 Cb 0.00 -1.35 0.14 0.00 -0.75 0.00 0.00 64.21 62.25 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 1.81 -2.89 0.00 -3.46 3.41 -1.26 -4.35 113.62 106.88 1ael n SER 53 Ca 0.55 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ael n SER 53 Cb 0.27 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -2.87 0.00 0.08 4.04 2.85 -1.26 -4.20 115.26 113.89 1ael n ASN 54 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1ael n ASN 54 Cb 0.29 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.31 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 -0.50 -3.06 -2.88 1.20 3.01 -1.26 -4.93 117.46 109.03 1ael n PHE 55 Ca 0.00 0.53 -0.44 0.00 1.01 0.00 0.00 57.45 58.56 1ael n PHE 55 Cb 0.00 1.62 -0.02 0.00 -0.01 0.00 0.00 39.48 41.07 1ael n PHE 55 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1ael s ARG 56 N -2.00 3.67 -0.33 -1.08 3.52 -1.26 -4.94 118.95 116.53 1ael s ARG 56 Ca 0.00 -1.80 -0.28 0.00 -0.13 0.00 0.00 55.73 53.51 1ael s ARG 56 Cb 0.00 -5.00 -0.02 0.00 -1.56 0.00 0.00 34.95 28.37 1ael s ARG 56 CO 0.00 -1.83 1.75 1.21 -0.81 0.00 0.00 175.30 175.62 1ael s ASN 57 N 3.69 5.96 0.38 -2.12 2.47 -1.26 -3.98 114.94 120.08 1ael s ASN 57 Ca 0.36 1.27 -0.12 0.00 0.42 0.00 0.00 52.86 54.79 1ael s ASN 57 Cb -0.04 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.28 1ael s ASN 57 CO -0.08 -1.66 0.71 -0.51 -3.72 0.00 0.00 177.10 171.84 1ael s ILE 58 N 6.67 0.00 -0.17 -5.21 2.07 -1.23 -5.00 121.20 118.33 1ael s ILE 58 Ca 0.78 -1.16 -0.09 0.00 -1.41 0.00 0.00 60.65 58.77 1ael s ILE 58 Cb -0.22 -2.87 0.06 0.00 0.13 0.00 0.00 42.46 39.56 1ael s ILE 58 CO 0.34 0.00 0.40 1.51 -1.91 0.00 0.00 174.94 175.28 1ael s ASP 59 N -3.13 -0.47 -0.24 4.50 -4.77 -1.26 -2.58 116.67 108.72 1ael s ASP 59 Ca 0.20 0.89 -0.00 0.00 -3.30 0.00 0.00 52.55 50.33 1ael s ASP 59 Cb -0.04 0.82 0.03 0.00 -1.09 0.00 0.00 42.92 42.64 1ael s ASP 59 CO 0.14 -0.20 -0.09 -0.69 0.70 0.00 0.00 175.17 175.04 1ael s VAL 60 N 1.53 2.60 -0.15 2.11 1.01 0.20 -4.93 120.40 122.77 1ael s VAL 60 Ca -0.09 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1ael s VAL 60 Cb -0.09 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1ael s VAL 60 CO -0.13 0.18 -0.10 -0.69 0.00 0.00 0.00 175.10 174.36 1ael s VAL 61 N 1.27 3.19 -0.28 2.92 1.01 -1.26 -2.21 120.40 125.04 1ael s VAL 61 Ca -0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1ael s VAL 61 Cb -0.17 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 33.92 1ael s VAL 61 CO -0.06 0.50 0.69 0.72 0.00 0.00 0.00 175.10 176.96 1ael s PHE 62 N 0.58 -1.05 -0.76 5.22 -0.71 -1.24 -4.93 117.98 115.09 1ael s PHE 62 Ca -0.07 2.12 -0.27 0.00 -1.04 0.00 0.00 56.93 57.68 1ael s PHE 62 Cb -0.15 0.62 -0.16 0.00 -1.21 0.00 0.00 43.02 42.12 1ael s PHE 62 CO 0.03 -0.52 2.51 0.39 -1.34 0.00 0.00 175.22 176.29 1ael n GLU 63 N 4.24 0.50 -0.39 1.99 1.02 -1.26 -3.53 120.64 123.21 1ael n GLU 63 Ca -0.20 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.71 1ael n GLU 63 Cb 0.59 -2.51 -0.02 0.00 -0.02 0.00 0.00 31.44 29.47 1ael n GLU 63 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1ael n LEU 64 N 13.25 0.25 -0.20 -4.62 -0.00 -1.26 -4.00 117.00 120.41 1ael n LEU 64 Ca 0.52 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1ael n LEU 64 Cb 0.30 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1ael n LEU 64 CO 0.82 -0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.61 1ael n GLY 65 N 0.84 0.58 3.24 1.47 0.00 0.48 -4.87 105.19 106.94 1ael n GLY 65 Ca 0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1ael n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ael s VAL 66 N -1.59 2.00 0.07 1.61 -7.23 -1.26 -4.90 120.40 109.11 1ael s VAL 66 Ca 0.00 -1.02 -0.35 0.00 -1.81 0.00 0.00 61.98 58.79 1ael s VAL 66 Cb 0.00 -1.71 -0.15 0.00 0.56 0.00 0.00 36.38 35.09 1ael s VAL 66 CO 0.00 0.55 1.56 -0.67 -0.31 0.00 0.00 175.10 176.24 1ael n ASP 67 N 3.12 2.67 -0.05 4.85 2.03 -1.26 -4.52 116.55 123.39 1ael n ASP 67 Ca -0.18 1.08 -0.04 0.00 0.52 0.00 0.00 54.79 56.17 1ael n ASP 67 Cb 0.52 -1.33 -0.01 0.00 -0.72 0.00 0.00 41.12 39.58 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ael n PHE 68 N 3.73 0.10 -3.07 -0.67 3.72 -1.03 -5.02 117.46 115.22 1ael n PHE 68 Ca 0.19 0.04 -0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1ael n PHE 68 Cb 0.25 -0.32 0.06 0.00 -0.94 0.00 0.00 39.48 38.53 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 -3.43 -1.34 -4.01 4.37 0.00 -1.18 -4.87 120.51 110.06 1ael n ALA 69 Ca -0.07 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1ael n ALA 69 Cb 0.25 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.22 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 -3.25 2.76 0.24 0.00 5.04 -1.26 -4.72 117.35 116.15 1ael s TYR 70 Ca 0.09 -1.95 -0.30 0.00 -2.44 0.00 0.00 57.07 52.46 1ael s TYR 70 Cb -0.04 -1.74 -0.15 0.00 0.35 0.00 0.00 41.96 40.39 1ael s TYR 70 CO 0.52 -0.81 1.02 -1.13 -1.34 0.00 0.00 175.55 173.81 1ael n SER 71 N 4.58 1.09 -3.65 4.32 3.41 -1.26 -3.45 113.62 118.66 1ael n SER 71 Ca -0.13 1.16 -0.29 0.00 -0.26 0.00 0.00 58.87 59.35 1ael n SER 71 Cb 0.44 -1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.08 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 1.59 0.33 -3.18 1.04 -0.00 -0.98 -3.45 117.00 112.35 1ael n LEU 72 Ca 0.12 -1.16 -0.05 0.00 -0.00 0.00 0.00 56.01 54.93 1ael n LEU 72 Cb 0.29 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1ael n LEU 72 CO 0.60 -1.65 0.22 0.00 -0.00 0.00 0.00 177.39 176.57 1ael n ALA 73 N 7.07 -2.58 -2.06 1.47 0.00 -1.26 -4.60 120.51 118.55 1ael n ALA 73 Ca 0.30 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 1ael n ALA 73 Cb 0.35 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.81 -1.36 0.00 0.00 9.92 -1.22 -5.08 116.55 117.00 1ael n ASP 74 Ca -0.05 0.69 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1ael n ASP 74 Cb 0.53 -3.19 0.00 0.00 -0.64 0.00 0.00 41.12 37.82 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 0.84 -0.99 0.00 0.44 0.00 -1.26 -4.76 105.19 99.46 1ael n GLY 75 Ca -0.21 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.00 -3.04 2.61 -1.04 -1.26 -4.94 114.28 106.61 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 0.00 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.13 -0.86 0.00 -2.82 1.02 -1.21 -4.35 120.64 110.29 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 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 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 0.32 -4.62 4.77 -1.22 -2.32 117.00 113.93 1ael n LEU 78 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1ael n LEU 78 Cb 0.00 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 1ael n LEU 78 CO 0.00 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.12 1ael h THR 79 N 0.00 0.00 -1.47 -5.08 1.03 -1.81 -3.13 112.91 102.45 1ael h THR 79 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 66.41 65.93 1ael h THR 79 Cb 0.00 0.37 0.25 0.00 -1.07 0.00 0.00 68.15 67.70 1ael h THR 79 CO 0.00 0.00 -2.14 0.61 -0.01 0.00 0.00 175.52 173.98 1ael n GLY 80 N -1.34 -2.81 2.81 2.99 0.00 -0.66 -2.47 105.19 103.71 1ael n GLY 80 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1ael n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 81 N -2.08 1.78 0.41 2.61 -4.23 -1.26 -2.64 115.64 110.23 1ael s THR 81 Ca 0.43 -2.66 -0.26 0.00 -1.18 0.00 0.00 61.69 58.02 1ael s THR 81 Cb 0.03 -2.26 -0.10 0.00 1.34 0.00 0.00 72.50 71.51 1ael s THR 81 CO 0.66 -0.82 1.37 0.79 -0.54 0.00 0.00 174.62 176.07 1ael n TRP 82 N 3.60 2.50 -3.57 3.99 7.02 -0.67 -4.50 117.44 125.80 1ael n TRP 82 Ca 0.06 0.48 -0.11 0.00 -1.02 0.00 0.00 57.50 56.91 1ael n TRP 82 Cb 0.35 -2.44 -0.04 0.00 -2.42 0.00 0.00 31.31 26.76 1ael n TRP 82 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1ael s THR 83 N -1.16 0.05 0.00 -0.99 -4.23 -1.26 0.18 115.64 108.22 1ael s THR 83 Ca 0.58 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1ael s THR 83 Cb -0.49 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1ael s THR 83 CO 0.60 -0.21 0.00 1.15 -0.54 0.00 0.00 174.62 175.62 1ael n MET 84 N -0.28 3.05 0.00 3.99 0.00 -1.26 0.17 117.12 122.79 1ael n MET 84 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1ael n MET 84 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.86 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 0.08 3.17 0.00 0.24 -4.78 120.64 119.35 1ael n GLU 85 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 1ael n GLU 85 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 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 0.00 -1.38 0.00 8.31 0.00 -1.26 -4.30 105.19 106.56 1ael n GLY 86 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ael n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ael n ASN 87 N -2.71 0.73 0.00 1.61 0.23 -1.26 -5.05 115.26 108.81 1ael n ASN 87 Ca -0.03 -1.38 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 1ael n ASN 87 Cb 0.62 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ael n LYS 88 N -0.19 0.00 -0.22 -3.83 2.85 -1.23 -4.42 118.16 111.12 1ael n LYS 88 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 1ael n LYS 88 Cb 0.41 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.86 1ael n LYS 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ael n LEU 89 N 0.00 0.00 -0.68 -5.58 0.00 -1.26 0.80 117.00 110.29 1ael n LEU 89 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 56.01 55.71 1ael n LEU 89 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 43.42 43.15 1ael n LEU 89 CO 0.00 -1.38 0.27 0.52 0.00 0.00 0.00 177.39 176.81 1ael n VAL 90 N -3.18 0.00 0.00 1.96 0.31 0.45 -4.46 118.33 113.41 1ael n VAL 90 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1ael n VAL 90 Cb 0.14 0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1ael n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ael n GLY 91 N 0.00 0.00 5.91 2.92 0.00 0.25 -4.11 105.19 110.16 1ael n GLY 91 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -3.10 1.61 4.76 -1.17 -1.66 118.16 118.59 1ael n LYS 92 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ael n LYS 92 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -1.83 117.46 117.66 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 93 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.24 -1.65 118.16 124.26 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 3.00 -1.26 -3.82 116.66 116.55 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ael n ARG 95 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ael n VAL 96 N -0.56 0.00 0.12 1.55 0.31 -1.26 -3.36 118.33 115.13 1ael n VAL 96 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1ael n VAL 96 Cb 0.05 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 33.46 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 -1.88 -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 -3.07 0.00 0.00 2.28 2.85 -1.26 -5.05 115.26 111.01 1ael n ASN 98 Ca 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1ael n ASN 98 Cb 0.94 0.08 0.00 0.00 1.24 0.00 0.00 39.78 42.04 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 -1.00 0.00 3.97 8.20 0.00 -1.26 -5.00 105.19 110.10 1ael n GLY 99 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ael n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ael s LYS 100 N 0.00 0.97 -0.38 1.61 3.01 -1.26 -4.96 119.74 118.72 1ael s LYS 100 Ca 0.00 -0.86 0.11 0.00 -1.01 0.00 0.00 55.97 54.22 1ael s LYS 100 Cb 0.00 -2.07 0.35 0.00 -1.01 0.00 0.00 37.83 35.10 1ael s LYS 100 CO 0.00 -2.06 0.81 0.39 0.51 0.00 0.00 175.35 174.99 1ael n GLU 101 N -3.38 0.99 -0.33 1.68 1.02 -1.17 -3.64 120.64 115.81 1ael n GLU 101 Ca 0.16 -3.13 -0.05 0.00 -0.02 0.00 0.00 57.16 54.13 1ael n GLU 101 Cb 0.60 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.27 -0.71 0.00 -4.62 4.32 -1.26 -1.86 117.00 113.14 1ael n LEU 102 Ca 0.21 1.46 0.00 0.00 -0.02 0.00 0.00 56.01 57.66 1ael n LEU 102 Cb 0.68 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1ael n LEU 102 CO 0.18 -1.25 0.00 -0.38 -1.22 0.00 0.00 177.39 174.72 1ael n ILE 103 N -5.13 0.00 0.00 -0.08 2.08 -0.76 0.25 119.36 115.72 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 0.27 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.75 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N 1.00 0.00 -2.25 -1.39 0.00 -1.26 -0.59 120.51 116.03 1ael n ALA 104 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ael n ALA 104 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1ael n ALA 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ael s VAL 105 N 0.00 4.76 -0.08 0.00 -7.23 -0.34 0.87 120.40 118.37 1ael s VAL 105 Ca 0.00 0.86 0.12 0.00 -1.81 0.00 0.00 61.98 61.15 1ael s VAL 105 Cb 0.00 -3.68 0.19 0.00 0.56 0.00 0.00 36.38 33.44 1ael s VAL 105 CO 0.00 0.01 1.08 -1.14 -0.31 0.00 0.00 175.10 174.74 1ael n ARG 106 N 0.14 1.56 0.00 4.82 3.00 -1.25 0.17 116.66 125.10 1ael n ARG 106 Ca -0.00 -2.12 0.00 0.00 -0.00 0.00 0.00 57.85 55.73 1ael n ARG 106 Cb 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.72 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 -1.04 0.00 -2.03 -0.14 1.02 -1.13 -4.29 120.64 113.03 1ael n GLU 107 Ca 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1ael n GLU 107 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.95 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ael n ILE 108 N 0.00 -9.97 -3.20 -3.67 3.06 -1.14 -3.56 119.36 100.88 1ael n ILE 108 Ca 0.00 2.14 0.01 0.00 -2.50 0.00 0.00 62.75 62.39 1ael n ILE 108 Cb 0.00 -5.30 -0.03 0.00 0.54 0.00 0.00 39.64 34.85 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 -0.43 -0.96 -0.20 9.51 0.15 -1.26 -4.72 113.70 115.78 1ael s SER 109 Ca -0.06 0.67 -0.04 0.00 0.70 0.00 0.00 55.95 57.23 1ael s SER 109 Cb 0.00 1.89 0.02 0.00 -1.71 0.00 0.00 66.02 66.21 1ael s SER 109 CO 0.16 -0.27 0.08 0.61 1.20 0.00 0.00 173.24 175.01 1ael n GLY 110 N 5.41 -4.32 2.74 9.45 0.00 -1.26 -4.67 105.19 112.54 1ael n GLY 110 Ca -0.01 0.73 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 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 0.86 -3.35 0.00 1.61 3.02 -1.26 -4.98 115.26 111.16 1ael n ASN 111 Ca -0.14 1.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1ael n ASN 111 Cb 0.21 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 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 1.65 -1.21 0.00 3.52 0.00 -1.26 -4.95 120.64 118.39 1ael n GLU 112 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.91 1ael n GLU 112 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.86 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 -4.66 117.00 114.01 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 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ael n LEU 113 CO 0.00 -0.06 0.00 -0.38 -1.33 0.00 0.00 177.39 175.62 1ael n ILE 114 N -1.48 0.00 -0.65 -0.08 2.08 -1.26 -2.84 119.36 115.13 1ael n ILE 114 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 114 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n GLN 115 N -1.75 -1.10 -1.45 0.38 6.02 -1.07 -4.53 117.38 113.87 1ael n GLN 115 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ael n GLN 115 Cb 0.00 -0.46 -0.11 0.00 1.02 0.00 0.00 30.24 30.69 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1ael n THR 116 N -0.24 0.00 -3.64 5.09 -1.04 0.44 -4.24 114.28 110.66 1ael n THR 116 Ca 0.00 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 1ael n THR 116 Cb 0.05 -1.11 -0.10 0.00 -1.82 0.00 0.00 70.33 67.34 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 8.87 3.43 -1.03 -1.42 1.51 -1.25 -1.20 117.35 126.26 1ael s TYR 117 Ca 0.86 -1.90 -0.03 0.00 -1.01 0.00 0.00 57.07 54.99 1ael s TYR 117 Cb -0.29 -3.21 0.30 0.00 -0.11 0.00 0.00 41.96 38.65 1ael s TYR 117 CO 0.23 -0.94 1.36 2.41 -1.11 0.00 0.00 175.55 177.50 1ael n THR 118 N 4.82 4.91 0.46 -0.71 -1.04 0.71 -1.37 114.28 122.06 1ael n THR 118 Ca -0.07 -5.81 0.10 0.00 -2.04 0.00 0.00 64.05 56.23 1ael n THR 118 Cb 0.42 -2.12 0.42 0.00 -1.82 0.00 0.00 70.33 67.23 1ael n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ael n TYR 119 N 1.37 0.49 -0.75 -1.42 4.11 -0.78 -4.25 117.16 115.94 1ael n TYR 119 Ca 0.26 0.19 0.00 0.00 -0.00 0.00 0.00 57.90 58.35 1ael n TYR 119 Cb 0.34 -0.81 0.00 0.00 -0.00 0.00 0.00 39.34 38.88 1ael n TYR 119 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1ael n GLU 120 N -1.95 0.00 0.00 -3.48 4.07 -1.26 -3.03 120.64 114.99 1ael n GLU 120 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1ael n GLU 120 Cb 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.60 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 1.68 2.15 8.31 0.00 -1.26 -5.01 105.19 111.05 1ael n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.80 0.90 -0.96 1.61 0.31 -1.26 -5.10 118.33 113.03 1ael n VAL 122 Ca 0.00 -2.27 -0.37 0.00 -0.01 0.00 0.00 64.34 61.69 1ael n VAL 122 Cb 0.00 0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 33.83 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 -0.20 0.00 -3.58 5.55 2.13 -1.17 -4.78 120.64 118.59 1ael n GLU 123 Ca 0.10 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.51 1ael n GLU 123 Cb 0.94 -0.84 -0.10 0.00 0.27 0.00 0.00 31.44 31.71 1ael n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ael s ALA 124 N 1.40 3.31 0.07 4.31 0.00 -0.47 -4.66 121.76 125.73 1ael s ALA 124 Ca 0.57 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1ael s ALA 124 Cb -0.82 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ael s ALA 124 CO 0.44 -1.50 0.11 1.63 0.00 0.00 0.00 175.76 176.44 1ael n LYS 125 N 5.00 0.16 0.00 0.00 4.01 -0.73 -3.74 118.16 122.86 1ael n LYS 125 Ca -0.11 -0.53 0.00 0.00 -0.51 0.00 0.00 58.31 57.16 1ael n LYS 125 Cb 0.45 0.54 0.00 0.00 -0.51 0.00 0.00 35.03 35.51 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 -0.11 0.00 0.00 1.97 5.12 -1.26 0.40 116.66 122.77 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 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 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 -1.26 0.55 -0.00 -1.26 -4.77 119.36 112.63 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 0.02 0.00 -0.00 0.00 0.00 39.64 39.66 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 -1.01 -2.71 0.06 1.39 1.16 -1.23 0.12 117.46 115.24 1ael n PHE 128 Ca 0.00 0.41 0.05 0.00 -1.87 0.00 0.00 57.45 56.04 1ael n PHE 128 Cb 0.00 -1.71 0.11 0.00 -1.61 0.00 0.00 39.48 36.26 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 1.29 1.96 0.00 3.97 0.00 -1.25 -3.64 118.16 120.48 1ael n LYS 129 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 58.31 56.71 1ael n LYS 129 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.28 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 0.50 0.00 0.00 1.64 0.00 -1.26 -4.67 118.16 114.37 1ael n LYS 130 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1ael n LYS 130 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49