#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 1.93 0.06 0.00 0.40 -1.26 -4.95 117.98 114.16 1ael s PHE 2 Ca 0.00 0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.75 1ael s PHE 2 Cb 0.00 -4.22 -0.03 0.00 0.51 0.00 0.00 43.02 39.28 1ael s PHE 2 CO 0.00 -1.98 -0.13 -0.51 0.70 0.00 0.00 175.22 173.30 1ael s ASP 3 N 7.11 1.54 0.00 1.36 1.01 -1.09 -4.27 116.67 122.33 1ael s ASP 3 Ca 0.62 -0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.32 1ael s ASP 3 Cb -0.07 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.80 1ael s ASP 3 CO 0.06 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1ael n GLY 4 N 1.49 -0.28 3.95 0.21 0.00 0.45 -4.68 105.19 106.34 1ael n GLY 4 Ca -0.20 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1ael n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 5 N 0.00 2.43 0.00 2.61 -4.23 -1.26 0.23 115.64 115.42 1ael s THR 5 Ca 0.00 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1ael s THR 5 Cb 0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1ael s THR 5 CO 0.00 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 174.87 1ael n TRP 6 N -2.67 0.00 0.00 3.99 5.03 -1.26 -4.20 117.44 118.33 1ael n TRP 6 Ca 0.09 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.62 1ael n TRP 6 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.88 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 -0.37 0.00 -2.83 -0.99 5.02 -1.26 -1.85 118.16 115.89 1ael n LYS 7 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1ael n LYS 7 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1ael n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ael n VAL 8 N 0.00 0.00 -0.34 -0.18 0.31 -1.23 -3.62 118.33 113.28 1ael n VAL 8 Ca 0.00 -2.27 0.14 0.00 -0.01 0.00 0.00 64.34 62.20 1ael n VAL 8 Cb 0.00 1.01 0.28 0.00 -0.91 0.00 0.00 33.84 34.21 1ael n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 9 N 0.21 -0.13 -4.25 4.52 -0.08 0.25 -4.66 116.55 112.41 1ael n ASP 9 Ca 0.09 1.65 -0.29 0.00 -1.51 0.00 0.00 54.79 54.73 1ael n ASP 9 Cb 0.71 -0.59 -0.07 0.00 2.34 0.00 0.00 41.12 43.51 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 -5.98 2.07 -0.28 -0.67 3.03 -0.80 -5.00 118.95 111.32 1ael s ARG 10 Ca -0.13 -2.30 -0.01 0.00 2.03 0.00 0.00 55.73 55.32 1ael s ARG 10 Cb 0.28 -0.84 0.17 0.00 -1.03 0.00 0.00 34.95 33.54 1ael s ARG 10 CO 0.75 -0.50 0.54 0.54 -1.13 0.00 0.00 175.30 175.50 1ael s ASN 11 N -3.71 -0.92 -0.02 -2.89 2.20 -1.26 -4.25 114.94 104.09 1ael s ASN 11 Ca 0.16 0.66 -0.01 0.00 -0.94 0.00 0.00 52.86 52.72 1ael s ASN 11 Cb 0.01 1.86 -0.04 0.00 -2.00 0.00 0.00 41.25 41.08 1ael s ASN 11 CO 0.11 -0.27 0.10 -1.61 -2.94 0.00 0.00 177.10 172.48 1ael s GLU 12 N 2.77 3.15 -1.01 3.55 0.41 0.37 -4.39 118.70 123.55 1ael s GLU 12 Ca 0.18 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1ael s GLU 12 Cb -0.15 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1ael s GLU 12 CO -0.20 0.67 0.00 0.09 -0.49 0.00 0.00 175.26 175.33 1ael n ASN 13 N 1.28 -2.60 0.02 -0.19 3.02 -1.26 -2.06 115.26 113.47 1ael n ASN 13 Ca -0.14 0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.47 1ael n ASN 13 Cb 0.53 -2.54 -0.10 0.00 -0.61 0.00 0.00 39.78 37.06 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 0.88 -0.25 3.10 5.03 -1.88 -2.88 116.97 120.96 1ael h TYR 14 Ca -0.20 -0.46 -0.07 0.00 2.58 0.00 0.00 58.73 60.57 1ael h TYR 14 Cb 0.67 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1ael h TYR 14 CO 0.31 1.29 -0.13 0.93 -1.32 0.00 0.00 178.16 179.24 1ael h GLU 15 N 0.22 0.54 0.00 1.82 5.08 -1.88 -3.19 114.58 117.17 1ael h GLU 15 Ca -0.10 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 57.91 1ael h GLU 15 Cb 1.50 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 1ael h GLU 15 CO 0.16 0.80 -0.53 -0.22 -1.00 0.00 0.00 179.01 178.22 1ael h LYS 16 N 0.26 0.00 -0.97 2.33 3.64 -1.99 -3.03 116.57 116.82 1ael h LYS 16 Ca 0.06 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1ael h LYS 16 Cb 0.64 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 1ael h LYS 16 CO 0.04 0.53 0.62 0.35 -2.27 0.00 0.00 179.45 178.72 1ael h PHE 17 N 0.00 1.11 0.03 1.91 3.57 -1.49 -0.76 116.94 121.31 1ael h PHE 17 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1ael h PHE 17 Cb 1.14 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1ael h PHE 17 CO 0.00 0.53 -0.18 0.52 -2.23 0.00 0.00 178.31 176.95 1ael h MET 18 N 1.04 0.07 -0.45 1.11 2.86 -1.60 -3.37 114.93 114.59 1ael h MET 18 Ca 0.44 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 58.06 1ael h MET 18 Cb 0.31 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.92 1ael h MET 18 CO -0.20 1.05 -0.28 1.49 1.06 0.00 0.00 176.91 180.03 1ael h GLU 19 N -0.85 -0.18 -0.18 1.72 4.57 -1.33 -2.61 114.58 115.72 1ael h GLU 19 Ca -0.03 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1ael h GLU 19 Cb 1.13 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1ael h GLU 19 CO 0.03 -0.12 -0.08 0.87 -1.18 0.00 0.00 179.01 178.53 1ael h LYS 20 N -0.19 0.27 0.00 1.92 1.57 -1.32 -0.96 116.57 117.86 1ael h LYS 20 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1ael h LYS 20 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ael h LYS 20 CO -0.56 0.37 -0.03 0.00 -0.57 0.00 0.00 179.45 178.66 1ael h MET 21 N 0.26 0.00 0.00 3.15 -0.00 -1.66 -3.44 114.93 113.24 1ael h MET 21 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1ael h MET 21 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1ael h MET 21 CO 0.02 0.03 0.00 0.41 -0.00 0.00 0.00 176.91 177.36 1ael n GLY 22 N -0.92 -1.00 3.73 -3.00 0.00 -0.60 -4.82 105.19 98.58 1ael n GLY 22 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.13 0.52 -0.61 1.09 -0.47 -4.91 121.20 118.95 1ael s ILE 23 Ca 0.00 0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.64 1ael s ILE 23 Cb 0.00 -2.87 -0.00 0.00 -1.06 0.00 0.00 42.46 38.52 1ael s ILE 23 CO 0.00 -0.02 0.06 0.20 -0.10 0.00 0.00 174.94 175.07 1ael s ASN 24 N -1.64 4.21 0.47 3.58 0.01 -1.26 -4.35 114.94 115.95 1ael s ASN 24 Ca 0.79 -1.61 0.26 0.00 -0.71 0.00 0.00 52.86 51.59 1ael s ASN 24 Cb -0.34 0.54 0.63 0.00 0.41 0.00 0.00 41.25 42.49 1ael s ASN 24 CO 0.42 -0.90 1.71 -0.37 -1.51 0.00 0.00 177.10 176.45 1ael h VAL 25 N 1.25 0.02 0.00 1.60 -1.51 -1.99 -3.26 116.25 112.37 1ael h VAL 25 Ca -0.43 -0.88 -0.02 0.00 -1.23 0.00 0.00 66.70 64.14 1ael h VAL 25 Cb 1.32 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1ael h VAL 25 CO 0.72 0.01 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.61 1ael h VAL 26 N 0.00 0.66 0.00 7.19 -1.51 -2.00 0.26 116.25 120.85 1ael h VAL 26 Ca -0.00 -0.35 -0.15 0.00 -1.23 0.00 0.00 66.70 64.97 1ael h VAL 26 Cb 0.87 1.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 1ael h VAL 26 CO 0.00 0.08 -0.74 0.50 -1.23 0.00 0.00 177.57 176.19 1ael h LYS 27 N 0.00 0.00 -0.52 5.19 3.11 -1.99 -3.30 116.57 119.06 1ael h LYS 27 Ca -0.00 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.99 1ael h LYS 27 Cb 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 1ael h LYS 27 CO 0.01 0.73 0.71 -0.09 -2.81 0.00 0.00 179.45 178.00 1ael h ARG 28 N 0.00 0.00 -5.61 1.90 2.43 -0.57 -3.36 114.38 109.17 1ael h ARG 28 Ca -0.01 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.67 1ael h ARG 28 Cb 1.57 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1ael h ARG 28 CO 0.10 0.00 1.62 1.63 -1.51 0.00 0.00 179.97 181.81 1ael n LYS 29 N -3.37 1.04 -2.47 0.20 4.76 -1.24 0.47 118.16 117.55 1ael n LYS 29 Ca 0.11 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.55 1ael n LYS 29 Cb 0.90 -3.15 0.04 0.00 -1.84 0.00 0.00 35.03 30.98 1ael n LYS 29 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ael n LEU 30 N 14.46 -3.18 -1.15 -0.35 4.77 -1.26 -4.96 117.00 125.32 1ael n LEU 30 Ca 0.40 -0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1ael n LEU 30 Cb 0.46 -1.65 0.20 0.00 -2.33 0.00 0.00 43.42 40.09 1ael n LEU 30 CO 0.73 0.11 0.68 0.61 -1.33 0.00 0.00 177.39 178.19 1ael n GLY 31 N -1.19 4.93 3.64 -0.72 0.00 0.18 -4.85 105.19 107.17 1ael n GLY 31 Ca -0.09 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.26 -2.00 0.00 4.61 0.00 -1.26 -4.82 121.76 115.02 1ael s ALA 32 Ca 0.44 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.59 1ael s ALA 32 Cb 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1ael s ALA 32 CO -0.01 -0.34 0.00 -2.39 0.00 0.00 0.00 175.76 173.03 1ael n HIS 33 N 3.46 0.00 -1.70 0.00 1.44 -1.26 -5.06 115.22 112.11 1ael n HIS 33 Ca -0.17 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.24 1ael n HIS 33 Cb 0.57 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.87 1ael n HIS 33 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ael s ASP 34 N -2.53 2.73 0.60 4.39 1.01 -1.26 -4.98 116.67 116.63 1ael s ASP 34 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1ael s ASP 34 Cb 0.00 -0.61 0.00 0.00 1.01 0.00 0.00 42.92 43.32 1ael s ASP 34 CO 0.00 -2.99 0.00 -3.20 0.21 0.00 0.00 175.17 169.19 1ael n ASN 35 N -3.97 -7.52 0.00 0.27 5.15 -1.26 -4.84 115.26 103.09 1ael n ASN 35 Ca 0.13 1.44 0.00 0.00 -0.60 0.00 0.00 54.58 55.55 1ael n ASN 35 Cb 0.60 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 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 -4.08 0.00 -4.42 1.20 -0.00 -1.26 -4.44 117.00 103.99 1ael n LEU 36 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.82 1ael n LEU 36 Cb 0.64 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.97 1ael n LEU 36 CO 0.03 0.00 1.11 1.17 -0.00 0.00 0.00 177.39 179.70 1ael n LYS 37 N 0.00 0.11 -0.28 1.47 4.81 -1.25 -3.55 118.16 119.48 1ael n LYS 37 Ca 0.00 -1.09 0.11 0.00 -0.87 0.00 0.00 58.31 56.46 1ael n LYS 37 Cb 0.00 -3.02 0.35 0.00 0.02 0.00 0.00 35.03 32.38 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 18.57 0.70 -1.16 3.14 7.12 -1.60 0.17 115.31 142.26 1ael h LEU 38 Ca 0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1ael h LEU 38 Cb 1.01 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1ael h LEU 38 CO 1.03 0.36 -0.30 0.41 -0.13 0.00 0.00 178.44 179.81 1ael n THR 39 N -4.56 -4.25 -4.54 1.05 -1.04 -0.86 -1.41 114.28 98.66 1ael n THR 39 Ca 0.17 1.08 -0.29 0.00 -2.04 0.00 0.00 64.05 62.98 1ael n THR 39 Cb 0.43 -2.08 -0.17 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.16 1.54 -0.04 12.58 1.01 0.63 -1.69 121.20 135.07 1ael s ILE 40 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1ael s ILE 40 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1ael s ILE 40 CO 0.00 0.45 -0.05 0.35 0.00 0.00 0.00 174.94 175.68 1ael n THR 41 N 4.11 0.34 0.00 2.92 -2.24 -1.01 0.17 114.28 118.57 1ael n THR 41 Ca -0.19 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1ael n THR 41 Cb 0.51 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1ael n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ael n GLN 42 N -2.86 0.00 -3.33 -0.78 -0.06 -1.26 -4.03 117.38 105.06 1ael n GLN 42 Ca -0.02 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.86 1ael n GLN 42 Cb 0.08 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.19 1ael n GLN 42 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1ael s GLU 43 N -5.10 0.49 0.16 3.69 0.41 0.39 -4.80 118.70 113.94 1ael s GLU 43 Ca 0.00 -0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.35 1ael s GLU 43 Cb 0.00 -0.44 0.00 0.00 -1.78 0.00 0.00 34.13 31.91 1ael s GLU 43 CO 0.00 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.09 1ael n GLY 44 N 4.98 0.32 0.47 -1.39 0.00 -1.26 -1.77 105.19 106.53 1ael n GLY 44 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 1.19 0.00 -4.26 1.61 5.03 -1.26 -5.06 115.26 112.50 1ael n ASN 45 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1ael n ASN 45 Cb 0.00 -0.08 0.15 0.00 -1.02 0.00 0.00 39.78 38.83 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1ael n LYS 46 N -1.99 -1.29 -3.43 3.52 0.00 -0.73 -4.35 118.16 109.90 1ael n LYS 46 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 58.31 57.88 1ael n LYS 46 Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 35.03 33.31 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1ael s PHE 47 N -2.23 -0.89 -0.68 5.64 -0.71 -1.22 0.15 117.98 118.04 1ael s PHE 47 Ca 0.54 1.14 -0.25 0.00 -1.04 0.00 0.00 56.93 57.31 1ael s PHE 47 Cb -0.11 0.16 -0.12 0.00 -1.21 0.00 0.00 43.02 41.74 1ael s PHE 47 CO 0.67 -0.66 2.42 2.41 -1.34 0.00 0.00 175.22 178.72 1ael n THR 48 N 5.38 -0.04 -4.62 -4.49 -1.04 -1.26 -4.29 114.28 103.92 1ael n THR 48 Ca -0.05 -0.61 -0.34 0.00 -2.04 0.00 0.00 64.05 61.01 1ael n THR 48 Cb 0.50 -2.17 -0.11 0.00 -1.82 0.00 0.00 70.33 66.72 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 12.48 3.69 0.00 12.58 1.01 -1.05 -2.42 120.40 146.69 1ael s VAL 49 Ca 1.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1ael s VAL 49 Cb -0.26 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1ael s VAL 49 CO 0.22 0.59 0.00 1.17 0.00 0.00 0.00 175.10 177.08 1ael n LYS 50 N 2.32 0.00 0.00 2.72 4.81 -0.50 0.13 118.16 127.64 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 -2.01 1.64 4.07 0.59 -2.98 120.64 121.95 1ael n GLU 51 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1ael n GLU 51 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ael n GLU 51 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ael n SER 52 N 0.00 6.40 -3.46 4.31 7.64 -1.07 -3.94 113.62 123.50 1ael n SER 52 Ca 0.00 -3.02 -0.18 0.00 1.01 0.00 0.00 58.87 56.68 1ael n SER 52 Cb 0.00 -1.47 0.17 0.00 -1.01 0.00 0.00 64.21 61.90 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ael n SER 53 N 3.38 -3.28 0.00 6.43 3.41 -1.25 -4.40 113.62 117.91 1ael n SER 53 Ca 0.54 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ael n SER 53 Cb 0.31 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.13 0.00 0.00 4.04 5.15 -1.26 -3.89 115.26 117.17 1ael n ASN 54 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1ael n ASN 54 Cb 0.36 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.45 -0.78 -3.14 1.20 3.01 -1.26 -4.92 117.46 111.11 1ael n PHE 55 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 1ael n PHE 55 Cb 0.00 0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.34 4.09 -0.26 -1.08 3.52 -1.25 -4.96 118.95 117.66 1ael s ARG 56 Ca 0.00 -2.81 -0.28 0.00 -0.13 0.00 0.00 55.73 52.51 1ael s ARG 56 Cb 0.00 -4.80 -0.04 0.00 -1.56 0.00 0.00 34.95 28.55 1ael s ARG 56 CO 0.00 -1.51 1.99 1.21 -0.81 0.00 0.00 175.30 176.17 1ael s ASN 57 N 2.18 5.73 0.00 -2.12 2.47 -1.26 -3.75 114.94 118.19 1ael s ASN 57 Ca 0.36 1.63 -0.29 0.00 0.42 0.00 0.00 52.86 54.98 1ael s ASN 57 Cb -0.06 -2.52 0.11 0.00 -1.45 0.00 0.00 41.25 37.33 1ael s ASN 57 CO -0.04 -1.78 1.26 -0.51 -3.72 0.00 0.00 177.10 172.31 1ael s ILE 58 N 7.37 0.00 0.04 -5.21 1.10 -1.25 -4.97 121.20 118.28 1ael s ILE 58 Ca 0.89 -0.24 0.03 0.00 -0.51 0.00 0.00 60.65 60.82 1ael s ILE 58 Cb -0.28 -2.30 -0.02 0.00 0.15 0.00 0.00 42.46 40.01 1ael s ILE 58 CO 0.34 0.00 -0.10 1.51 -2.11 0.00 0.00 174.94 174.58 1ael s ASP 59 N -3.22 1.18 -0.03 4.50 1.47 -1.26 -2.34 116.67 116.97 1ael s ASP 59 Ca 0.18 -0.50 0.01 0.00 1.18 0.00 0.00 52.55 53.42 1ael s ASP 59 Cb 0.03 -0.02 0.02 0.00 -0.34 0.00 0.00 42.92 42.61 1ael s ASP 59 CO -0.02 -0.10 -0.02 0.68 0.68 0.00 0.00 175.17 176.39 1ael s VAL 60 N -1.11 0.33 -0.16 2.11 -7.23 0.34 -4.93 120.40 109.75 1ael s VAL 60 Ca -0.05 -0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.10 1ael s VAL 60 Cb -0.09 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1ael s VAL 60 CO 0.01 0.17 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.17 1ael s VAL 61 N 0.88 3.03 -0.22 1.32 1.01 -1.26 -2.52 120.40 122.64 1ael s VAL 61 Ca -0.10 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1ael s VAL 61 Cb -0.13 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.01 1ael s VAL 61 CO -0.01 0.50 0.54 0.72 0.00 0.00 0.00 175.10 176.85 1ael s PHE 62 N 0.76 -0.75 -0.29 5.22 -0.71 -1.26 -4.98 117.98 115.98 1ael s PHE 62 Ca -0.05 1.61 -0.21 0.00 -1.04 0.00 0.00 56.93 57.25 1ael s PHE 62 Cb -0.15 0.36 -0.23 0.00 -1.21 0.00 0.00 43.02 41.79 1ael s PHE 62 CO 0.01 -0.38 1.46 0.39 -1.34 0.00 0.00 175.22 175.36 1ael n GLU 63 N 3.80 0.02 0.00 1.99 1.02 -1.26 -3.37 120.64 122.84 1ael n GLU 63 Ca -0.19 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1ael n GLU 63 Cb 0.57 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 10.42 0.00 -4.11 -4.62 4.32 -1.26 -4.13 117.00 117.62 1ael n LEU 64 Ca 0.31 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.96 1ael n LEU 64 Cb 0.41 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.08 1ael n LEU 64 CO 0.78 0.00 -0.29 -0.83 -1.22 0.00 0.00 177.39 175.83 1ael s GLY 65 N 0.00 1.87 -0.09 -0.72 0.00 -1.18 -3.65 107.32 103.56 1ael s GLY 65 Ca 0.00 -2.23 0.13 0.00 0.00 0.00 0.00 44.72 42.63 1ael s GLY 65 CO 0.00 0.86 1.09 1.55 0.00 0.00 0.00 173.10 176.61 1ael n VAL 66 N 4.51 1.39 -1.25 1.40 3.14 -1.23 -4.90 118.33 121.39 1ael n VAL 66 Ca -0.05 -1.66 0.14 0.00 -2.96 0.00 0.00 64.34 59.81 1ael n VAL 66 Cb 0.42 -0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.12 1ael n VAL 66 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1ael n ASP 67 N -1.04 -6.76 0.00 6.55 5.75 -1.26 -5.02 116.55 114.77 1ael n ASP 67 Ca 0.11 1.29 0.00 0.00 -0.01 0.00 0.00 54.79 56.18 1ael n ASP 67 Cb 0.62 -4.28 0.00 0.00 -1.03 0.00 0.00 41.12 36.43 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1ael n PHE 68 N -3.93 0.00 -1.61 2.11 3.72 -1.09 -4.89 117.46 111.76 1ael n PHE 68 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1ael n PHE 68 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ael n ALA 69 N -1.79 0.00 -3.70 4.37 0.00 -1.02 -4.87 120.51 113.50 1ael n ALA 69 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1ael n ALA 69 Cb 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.92 1ael n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ael s TYR 70 N -2.57 1.57 0.14 0.00 -0.85 -1.24 -4.60 117.35 109.79 1ael s TYR 70 Ca 0.00 -0.71 -0.34 0.00 -0.52 0.00 0.00 57.07 55.50 1ael s TYR 70 Cb 0.00 -1.21 -0.16 0.00 0.38 0.00 0.00 41.96 40.97 1ael s TYR 70 CO 0.00 -0.42 1.30 -1.13 -1.52 0.00 0.00 175.55 173.78 1ael n SER 71 N 4.37 1.75 -4.56 -0.18 3.41 -1.25 -3.16 113.62 114.00 1ael n SER 71 Ca -0.18 1.13 -0.22 0.00 -0.26 0.00 0.00 58.87 59.34 1ael n SER 71 Cb 0.51 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 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 0.56 2.98 -0.57 1.04 1.98 -1.25 -3.87 118.68 119.55 1ael s LEU 72 Ca 0.78 -0.61 -0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1ael s LEU 72 Cb -0.86 -2.56 0.00 0.00 0.66 0.00 0.00 46.19 43.42 1ael s LEU 72 CO 0.48 -3.33 0.42 0.00 -1.89 0.00 0.00 176.35 172.03 1ael n ALA 73 N 16.03 -2.27 0.00 5.97 0.00 -1.26 -4.69 120.51 134.29 1ael n ALA 73 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ael n ALA 73 Cb 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.66 -0.01 0.00 0.00 5.68 -1.25 -5.11 116.55 114.20 1ael n ASP 74 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 1ael n ASP 74 Cb 0.49 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 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 1.85 1.06 0.00 6.12 0.00 -1.26 -4.82 105.19 108.15 1ael n GLY 75 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.42 2.61 5.66 -1.26 -4.98 114.28 113.89 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 -1.35 -1.44 0.00 1.09 4.71 -1.26 -3.91 120.64 118.48 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ael n GLU 77 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 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 0.00 0.00 -4.62 0.00 -0.99 -3.81 117.00 107.58 1ael n LEU 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ael n LEU 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ael n LEU 78 CO 0.00 0.00 0.09 0.41 0.00 0.00 0.00 177.39 177.89 1ael n THR 79 N 0.00 0.00 0.00 1.96 -1.04 -1.18 -2.44 114.28 111.58 1ael n THR 79 Ca 0.00 0.52 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1ael n THR 79 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1ael n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ael n GLY 80 N 0.68 2.14 0.00 3.41 0.00 -0.64 -2.69 105.19 108.09 1ael n GLY 80 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.00 -0.88 2.61 -2.24 -1.26 -4.37 114.28 108.14 1ael n THR 81 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 81 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ael n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1ael n TRP 82 N 0.00 -0.88 -2.21 4.78 7.02 -1.26 -3.54 117.44 121.36 1ael n TRP 82 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ael n TRP 82 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1ael n TRP 82 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ael n THR 83 N -0.33 0.00 -2.43 -0.99 -2.24 0.41 -3.08 114.28 105.63 1ael n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.45 0.00 -1.95 -0.78 0.00 -1.26 0.24 117.12 112.92 1ael n MET 84 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 1ael n MET 84 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.27 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 0.74 0.00 3.17 0.00 0.40 -4.81 120.64 120.15 1ael n GLU 85 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 57.16 56.26 1ael n GLU 85 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 31.44 31.83 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 -0.85 1.87 0.09 8.31 0.00 -1.26 -4.31 105.19 109.04 1ael n GLY 86 Ca -0.17 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 3.95 0.33 0.00 1.61 0.23 -1.26 -4.77 115.26 115.35 1ael n ASN 87 Ca 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 1ael n ASN 87 Cb 0.00 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 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 -0.99 0.00 -0.13 -3.83 2.85 -1.13 -4.37 118.16 110.56 1ael n LYS 88 Ca 0.16 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.33 1ael n LYS 88 Cb 0.25 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.71 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 -3.15 -5.58 0.00 -1.26 -0.45 117.00 106.56 1ael n LEU 89 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 56.01 55.78 1ael n LEU 89 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 43.42 43.12 1ael n LEU 89 CO 0.00 -1.76 0.35 -0.69 0.00 0.00 0.00 177.39 175.28 1ael s VAL 90 N -1.39 -0.66 -0.59 1.96 1.01 0.65 -4.58 120.40 116.81 1ael s VAL 90 Ca 0.20 0.00 0.20 0.00 0.00 0.00 0.00 61.98 62.39 1ael s VAL 90 Cb -0.03 -0.87 0.21 0.00 0.00 0.00 0.00 36.38 35.69 1ael s VAL 90 CO 0.16 0.00 1.62 0.61 0.00 0.00 0.00 175.10 177.50 1ael n GLY 91 N 5.38 -1.14 7.00 4.51 0.00 0.33 -0.44 105.19 120.83 1ael n GLY 91 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.05 0.00 -3.61 1.61 4.76 -1.24 -4.35 118.16 113.27 1ael n LYS 92 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1ael n LYS 92 Cb 0.19 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 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 -1.33 117.46 118.16 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 93 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.21 -1.63 118.16 124.31 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 -4.23 116.66 118.26 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 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.58 0.00 -0.47 1.55 0.31 -1.26 -2.35 118.33 115.52 1ael n VAL 96 Ca 0.00 0.00 0.42 0.00 -0.01 0.00 0.00 64.34 64.75 1ael n VAL 96 Cb 0.00 0.00 0.78 0.00 -0.91 0.00 0.00 33.84 33.71 1ael n VAL 96 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 97 N 1.83 0.00 0.00 4.52 1.82 -1.87 -3.39 116.42 119.33 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ael h ASP 97 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ael h ASP 97 CO 0.00 -0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 174.43 1ael n ASN 98 N -4.09 0.00 0.00 2.28 5.15 -1.26 -5.13 115.26 112.21 1ael n ASN 98 Ca 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1ael n ASN 98 Cb 1.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ael n GLY 99 N -0.48 2.08 0.00 8.20 0.00 -1.26 -4.94 105.19 108.78 1ael n GLY 99 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.00 2.30 -3.00 1.61 4.01 -1.26 -4.87 118.16 117.94 1ael n LYS 100 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 1ael n LYS 100 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ael n GLU 101 N -0.04 1.02 -0.32 1.97 1.02 -1.26 -3.32 120.64 119.70 1ael n GLU 101 Ca 0.00 -3.06 -0.09 0.00 -0.02 0.00 0.00 57.16 53.99 1ael n GLU 101 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ael h LEU 102 N 2.96 -1.87 0.00 -4.62 3.38 -1.76 -0.39 115.31 113.00 1ael h LEU 102 Ca 0.02 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ael h LEU 102 Cb 1.04 0.84 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1ael h LEU 102 CO 0.42 -0.29 0.00 -0.38 0.09 0.00 0.00 178.44 178.27 1ael n ILE 103 N -5.34 0.00 0.00 1.22 2.08 -0.44 0.26 119.36 117.14 1ael n ILE 103 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1ael n ILE 103 Cb 0.31 -0.47 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 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 0.12 120.51 117.98 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.67 0.92 118.33 118.89 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 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.60 -4.41 116.66 121.40 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 -1.36 -0.14 1.02 -1.03 -0.73 120.64 118.40 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -6.90 -3.22 -3.67 3.06 -1.26 -2.85 119.36 104.51 1ael n ILE 108 Ca 0.00 1.98 0.04 0.00 -2.50 0.00 0.00 62.75 62.27 1ael n ILE 108 Cb 0.00 -3.48 -0.02 0.00 0.54 0.00 0.00 39.64 36.68 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 -0.97 -0.67 -0.54 9.51 0.15 -1.26 -4.77 113.70 115.14 1ael s SER 109 Ca 0.00 0.55 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 1ael s SER 109 Cb 0.00 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1ael s SER 109 CO 0.00 -0.13 0.53 0.61 1.20 0.00 0.00 173.24 175.45 1ael n GLY 110 N 5.32 -1.04 3.58 9.45 0.00 -1.26 -4.00 105.19 117.24 1ael n GLY 110 Ca -0.06 0.39 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.44 -5.74 -0.57 1.61 3.02 -1.26 -4.98 115.26 105.89 1ael n ASN 111 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1ael n ASN 111 Cb 0.48 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ael n GLU 112 N -3.46 0.00 -0.46 3.52 4.71 -1.26 -5.05 120.64 118.65 1ael n GLU 112 Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.02 1ael n GLU 112 Cb 0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.01 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 113 N 0.00 -0.20 -0.38 -4.62 4.77 -1.26 -4.54 117.00 110.77 1ael n LEU 113 Ca 0.00 -0.76 -0.01 0.00 -0.03 0.00 0.00 56.01 55.20 1ael n LEU 113 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1ael n LEU 113 CO 0.00 0.88 0.15 2.30 -1.33 0.00 0.00 177.39 179.39 1ael n ILE 114 N 0.00 0.00 0.14 -0.08 -0.00 0.09 -4.21 119.36 115.31 1ael n ILE 114 Ca -0.06 -0.04 0.07 0.00 -0.00 0.00 0.00 62.75 62.72 1ael n ILE 114 Cb 0.36 0.00 0.40 0.00 -0.00 0.00 0.00 39.64 40.40 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ael n GLN 115 N 0.46 0.10 -2.00 6.28 1.13 -1.25 -0.29 117.38 121.80 1ael n GLN 115 Ca 0.04 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 1ael n GLN 115 Cb 0.02 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.40 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 -2.04 0.00 -3.38 5.09 -1.04 -1.21 -1.67 114.28 110.04 1ael n THR 116 Ca -0.01 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.56 1ael n THR 116 Cb 0.18 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.32 3.23 -1.01 -1.42 1.51 -1.11 -3.48 117.35 112.74 1ael s TYR 117 Ca 0.00 -0.83 -0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1ael s TYR 117 Cb 0.00 -3.12 0.31 0.00 -0.11 0.00 0.00 41.96 39.04 1ael s TYR 117 CO 0.00 -0.79 1.55 2.41 -1.11 0.00 0.00 175.55 177.61 1ael n THR 118 N 5.24 5.36 -1.87 -0.71 -1.04 0.73 -0.18 114.28 121.81 1ael n THR 118 Ca -0.12 -5.91 -0.43 0.00 -2.04 0.00 0.00 64.05 55.56 1ael n THR 118 Cb 0.44 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 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 -3.39 1.64 0.00 -1.42 1.13 -0.16 -2.45 117.35 112.70 1ael s TYR 119 Ca 0.35 0.34 0.00 0.00 -1.41 0.00 0.00 57.07 56.36 1ael s TYR 119 Cb 0.12 -4.04 0.00 0.00 -1.10 0.00 0.00 41.96 36.94 1ael s TYR 119 CO 0.00 -3.81 0.00 -1.91 -2.51 0.00 0.00 175.55 167.33 1ael n GLU 120 N 8.03 -0.83 0.00 -3.49 4.07 -1.26 -2.26 120.64 124.90 1ael n GLU 120 Ca 0.23 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1ael n GLU 120 Cb 0.44 -4.33 0.00 0.00 -0.06 0.00 0.00 31.44 27.49 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 -0.87 1.58 2.73 8.31 0.00 -1.03 -5.07 105.19 110.84 1ael n GLY 121 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 1.91 0.43 1.61 1.01 -0.96 -5.01 120.40 117.39 1ael s VAL 122 Ca 0.00 -3.49 -0.25 0.00 0.00 0.00 0.00 61.98 58.24 1ael s VAL 122 Cb 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1ael s VAL 122 CO 0.00 -1.04 1.32 1.21 0.00 0.00 0.00 175.10 176.59 1ael n GLU 123 N 2.53 2.02 -3.82 2.72 2.13 -1.16 -3.71 120.64 121.35 1ael n GLU 123 Ca 0.20 0.72 -0.24 0.00 0.66 0.00 0.00 57.16 58.50 1ael n GLU 123 Cb 0.38 -2.46 -0.17 0.00 0.27 0.00 0.00 31.44 29.46 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 -1.20 0.83 0.03 4.31 0.00 0.74 -4.56 121.76 121.92 1ael s ALA 124 Ca 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 1ael s ALA 124 Cb -0.49 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1ael s ALA 124 CO 0.58 -0.43 0.07 1.63 0.00 0.00 0.00 175.76 177.61 1ael n LYS 125 N 5.04 0.09 0.00 0.00 4.01 -0.87 -2.75 118.16 123.68 1ael n LYS 125 Ca -0.09 -0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.53 1ael n LYS 125 Cb 0.50 0.22 0.00 0.00 -0.51 0.00 0.00 35.03 35.24 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 -0.05 0.00 0.00 1.97 5.12 -1.26 0.14 116.66 122.58 1ael n ARG 126 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1ael n ARG 126 Cb 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ael n ILE 127 N 0.00 0.00 -0.94 0.55 -0.00 -1.26 -4.77 119.36 112.95 1ael n ILE 127 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1ael n ILE 127 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.64 39.72 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 -1.05 -2.82 0.35 1.39 1.16 -1.24 0.87 117.46 116.12 1ael n PHE 128 Ca 0.00 0.15 0.09 0.00 -1.87 0.00 0.00 57.45 55.83 1ael n PHE 128 Cb 0.00 -1.67 -0.13 0.00 -1.61 0.00 0.00 39.48 36.07 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N 0.05 0.69 -0.73 3.97 5.02 -1.26 -3.78 118.16 122.12 1ael n LYS 129 Ca 0.04 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1ael n LYS 129 Cb 0.54 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N -1.87 0.00 0.00 1.97 0.00 -1.26 -4.76 118.16 112.23 1ael n LYS 130 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1ael n LYS 130 Cb 0.42 -0.36 0.00 0.00 0.00 0.00 0.00 35.03 35.08 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49