#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aal s LEU 2 N 0.00 3.00 -0.25 1.53 2.96 -0.10 -4.29 118.68 121.54 2aal s LEU 2 Ca 0.00 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 2aal s LEU 2 Cb 0.00 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2aal s LEU 2 CO 0.00 0.10 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.36 2aal s LEU 3 N 0.75 3.30 -0.26 -0.68 1.02 -0.37 -0.74 118.68 121.69 2aal s LEU 3 Ca -0.03 -0.68 -0.07 0.00 0.02 0.00 0.00 54.13 53.37 2aal s LEU 3 Cb -0.15 -1.75 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 2aal s LEU 3 CO 0.02 -0.12 0.05 -0.54 0.02 0.00 0.00 176.35 175.79 2aal s LYS 4 N 1.42 3.39 -0.16 1.70 1.02 0.26 -0.87 119.74 126.51 2aal s LYS 4 Ca 0.02 -0.65 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 2aal s LYS 4 Cb -0.16 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 2aal s LYS 4 CO -0.02 -0.29 0.09 -0.06 -0.92 0.00 0.00 175.35 174.15 2aal s PHE 5 N 1.55 3.36 -0.24 3.18 0.40 0.94 0.15 117.98 127.32 2aal s PHE 5 Ca 0.05 0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 2aal s PHE 5 Cb -0.16 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2aal s PHE 5 CO 0.02 0.36 -0.03 -0.51 0.70 0.00 0.00 175.22 175.76 2aal s ASP 6 N -0.11 4.40 0.18 1.36 1.01 0.62 -1.29 116.67 122.84 2aal s ASP 6 Ca 0.08 -0.56 0.04 0.00 0.71 0.00 0.00 52.55 52.82 2aal s ASP 6 Cb -0.12 -1.74 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 2aal s ASP 6 CO 0.01 -0.07 -0.05 -1.48 0.21 0.00 0.00 175.17 173.78 2aal s LEU 7 N 1.44 2.36 0.42 1.23 2.34 -0.80 -1.37 118.68 124.30 2aal s LEU 7 Ca 0.04 -1.11 -0.22 0.00 0.06 0.00 0.00 54.13 52.90 2aal s LEU 7 Cb -0.15 -0.29 -0.10 0.00 -0.56 0.00 0.00 46.19 45.09 2aal s LEU 7 CO -0.03 -0.42 0.99 -0.36 -1.06 0.00 0.00 176.35 175.46 2aal s PHE 8 N -3.39 3.31 0.66 3.48 0.08 -1.26 -0.09 117.98 120.76 2aal s PHE 8 Ca 0.22 1.64 -0.18 0.00 0.12 0.00 0.00 56.93 58.74 2aal s PHE 8 Cb 0.04 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 2aal s PHE 8 CO 0.04 -0.30 1.25 0.66 -0.10 0.00 0.00 175.22 176.77 2aal n TYR 9 N -0.38 1.75 0.00 0.36 4.01 -0.32 -4.48 117.16 118.11 2aal n TYR 9 Ca 0.06 0.42 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 2aal n TYR 9 Cb 0.52 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 2aal n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aal n GLY 10 N 0.94 0.77 3.83 2.72 0.00 -1.26 -4.96 105.19 107.22 2aal n GLY 10 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2aal n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 11 N 0.00 4.16 0.91 1.61 0.52 -1.26 -5.05 118.95 119.83 2aal s ARG 11 Ca 0.00 0.96 -0.13 0.00 -0.52 0.00 0.00 55.73 56.04 2aal s ARG 11 Cb 0.00 -2.31 0.14 0.00 0.52 0.00 0.00 34.95 33.30 2aal s ARG 11 CO 0.00 0.06 1.17 -0.08 0.02 0.00 0.00 175.30 176.46 2aal s THR 12 N -2.07 1.98 0.25 0.02 -1.32 -1.26 -4.82 115.64 108.42 2aal s THR 12 Ca 0.58 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.03 2aal s THR 12 Cb -0.10 -2.82 0.15 0.00 -1.51 0.00 0.00 72.50 68.22 2aal s THR 12 CO 0.15 0.00 1.80 0.44 -2.21 0.00 0.00 174.62 174.80 2aal h ASP 13 N -1.47 0.90 -0.36 8.08 3.32 -1.99 -0.82 116.42 124.08 2aal h ASP 13 Ca -0.48 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.33 2aal h ASP 13 Cb 1.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2aal h ASP 13 CO 0.59 0.85 -0.02 0.00 -1.72 0.00 0.00 179.24 178.94 2aal h ALA 14 N 1.27 1.12 -0.29 3.45 0.00 -1.99 -1.05 119.26 121.77 2aal h ALA 14 Ca 0.20 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2aal h ALA 14 Cb 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2aal h ALA 14 CO -0.01 0.56 -0.54 1.96 0.00 0.00 0.00 179.25 181.23 2aal h GLN 15 N 0.70 0.87 -0.38 0.00 4.20 -1.69 -0.60 115.11 118.21 2aal h GLN 15 Ca 0.14 -0.54 0.04 0.00 0.06 0.00 0.00 58.65 58.34 2aal h GLN 15 Cb 0.46 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2aal h GLN 15 CO 0.02 1.18 0.16 0.82 -0.67 0.00 0.00 178.83 180.34 2aal h ILE 16 N 0.67 0.93 -0.40 2.54 2.04 -0.98 -1.30 117.51 121.01 2aal h ILE 16 Ca 0.02 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 2aal h ILE 16 Cb 1.14 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2aal h ILE 16 CO 0.12 0.06 -0.13 0.50 0.00 0.00 0.00 178.15 178.70 2aal h LYS 17 N 0.33 0.72 -0.73 2.37 3.64 -0.88 -0.52 116.57 121.50 2aal h LYS 17 Ca 0.17 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2aal h LYS 17 Cb 0.12 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2aal h LYS 17 CO -0.15 0.82 0.24 0.77 -2.27 0.00 0.00 179.45 178.86 2aal h SER 18 N 0.66 1.04 -0.31 4.20 0.02 -0.86 0.10 113.55 118.40 2aal h SER 18 Ca 0.11 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2aal h SER 18 Cb 0.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2aal h SER 18 CO 0.04 0.96 0.13 0.25 -1.14 0.00 0.00 176.83 177.07 2aal h LEU 19 N 1.08 0.42 -0.28 5.07 5.85 -0.59 -0.59 115.31 126.27 2aal h LEU 19 Ca 0.24 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2aal h LEU 19 Cb 0.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2aal h LEU 19 CO -0.01 0.45 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.44 2aal h LEU 20 N 0.35 0.52 -0.56 2.25 3.38 -0.76 -0.72 115.31 119.77 2aal h LEU 20 Ca 0.10 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2aal h LEU 20 Cb 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2aal h LEU 20 CO -0.01 0.73 0.26 0.44 0.09 0.00 0.00 178.44 179.95 2aal h ASP 21 N 0.29 0.35 0.18 -0.43 3.32 -0.77 0.90 116.42 120.26 2aal h ASP 21 Ca 0.08 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2aal h ASP 21 Cb 0.48 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2aal h ASP 21 CO 0.02 0.23 -0.08 0.00 -1.72 0.00 0.00 179.24 177.68 2aal h ALA 22 N 1.33 -0.24 -0.64 3.45 0.00 -0.92 -1.75 119.26 120.49 2aal h ALA 22 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2aal h ALA 22 Cb 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2aal h ALA 22 CO -0.21 -0.62 0.42 0.00 0.00 0.00 0.00 179.25 178.84 2aal h ALA 23 N 0.56 0.82 -0.50 0.00 0.00 -0.86 -2.58 119.26 116.69 2aal h ALA 23 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2aal h ALA 23 Cb 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2aal h ALA 23 CO 0.04 0.26 0.21 1.25 0.00 0.00 0.00 179.25 181.00 2aal h HIS 24 N 0.87 0.37 -0.94 0.00 6.17 -0.65 -1.82 115.15 119.16 2aal h HIS 24 Ca 0.23 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.34 2aal h HIS 24 Cb -0.08 -0.09 -0.05 0.00 2.52 0.00 0.00 27.41 29.71 2aal h HIS 24 CO -0.03 0.15 0.61 0.78 0.71 0.00 0.00 177.93 180.15 2aal h GLY 25 N 0.40 1.33 1.17 5.26 0.00 -1.12 -0.10 103.07 110.01 2aal h GLY 25 Ca 0.23 -0.51 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2aal h GLY 25 CO -0.21 0.50 -0.44 0.00 0.00 0.00 0.00 176.54 176.39 2aal h ALA 26 N 1.39 0.56 0.35 3.60 0.00 -1.21 0.35 119.26 124.30 2aal h ALA 26 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2aal h ALA 26 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2aal h ALA 26 CO -0.07 0.68 -0.26 1.98 0.00 0.00 0.00 179.25 181.58 2aal h MET 27 N 0.72 -0.59 -0.89 0.00 -1.53 -0.86 -0.87 114.93 110.92 2aal h MET 27 Ca 0.05 0.04 0.05 0.00 -3.44 0.00 0.00 59.70 56.40 2aal h MET 27 Cb 1.03 0.13 -0.06 0.00 -0.55 0.00 0.00 31.60 32.16 2aal h MET 27 CO 0.10 -0.39 0.56 0.28 0.14 0.00 0.00 176.91 177.60 2aal h VAL 28 N -0.61 1.08 -0.65 -5.77 2.07 -0.86 0.70 116.25 112.21 2aal h VAL 28 Ca -0.03 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2aal h VAL 28 Cb 0.53 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2aal h VAL 28 CO -0.00 0.19 0.28 0.44 0.02 0.00 0.00 177.57 178.50 2aal h ASP 29 N 1.04 0.87 -0.39 0.57 3.32 -0.75 -0.28 116.42 120.80 2aal h ASP 29 Ca 0.38 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 2aal h ASP 29 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2aal h ASP 29 CO -0.16 0.79 -0.34 0.00 -1.72 0.00 0.00 179.24 177.81 2aal h ALA 30 N 1.12 0.57 0.00 3.45 0.00 -0.87 -3.37 119.26 120.17 2aal h ALA 30 Ca 0.22 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2aal h ALA 30 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2aal h ALA 30 CO -0.02 0.65 -1.82 1.19 0.00 0.00 0.00 179.25 179.24 2aal n PHE 31 N -4.10 0.00 -1.96 0.00 3.72 0.21 -4.82 117.46 110.52 2aal n PHE 31 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 2aal n PHE 31 Cb 0.52 -0.42 -0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2aal n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aal n GLY 32 N 1.50 0.25 3.96 1.37 0.00 -0.12 -5.04 105.19 107.11 2aal n GLY 32 Ca -0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 2aal n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aal s VAL 33 N -2.23 4.97 0.49 1.61 -7.23 -1.25 -5.06 120.40 111.70 2aal s VAL 33 Ca 0.00 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.22 2aal s VAL 33 Cb 0.00 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 33.08 2aal s VAL 33 CO 0.00 -0.42 1.33 -2.65 -0.31 0.00 0.00 175.10 173.05 2aal n PRO 34 N -1.66 1.85 0.13 4.82 -0.02 -1.26 -4.85 135.00 134.01 2aal n PRO 34 Ca -0.05 0.67 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2aal n PRO 34 Cb 0.57 -2.51 0.69 0.00 -0.02 0.00 0.00 33.50 32.23 2aal n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aal h ALA 35 N 1.78 2.22 -0.27 3.55 0.00 -1.97 -1.16 119.26 123.41 2aal h ALA 35 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2aal h ALA 35 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2aal h ALA 35 CO 0.58 -0.35 0.00 0.27 0.00 0.00 0.00 179.25 179.76 2aal n ASN 36 N -4.38 1.64 -3.74 0.00 0.23 -1.26 -4.39 115.26 103.37 2aal n ASN 36 Ca 0.04 -2.05 -0.42 0.00 -0.53 0.00 0.00 54.58 51.62 2aal n ASN 36 Cb 0.36 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2aal n ASN 36 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2aal n ASP 37 N 0.29 5.95 -4.08 0.53 2.03 -0.44 -4.92 116.55 115.91 2aal n ASP 37 Ca 0.09 -3.09 -0.32 0.00 0.52 0.00 0.00 54.79 51.99 2aal n ASP 37 Cb 0.28 -1.46 -0.15 0.00 -0.72 0.00 0.00 41.12 39.07 2aal n ASP 37 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2aal s ARG 38 N 0.12 2.50 -0.23 -0.67 3.52 -1.26 -4.75 118.95 118.18 2aal s ARG 38 Ca 0.45 -1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 2aal s ARG 38 Cb 0.12 -2.75 0.09 0.00 -1.56 0.00 0.00 34.95 30.85 2aal s ARG 38 CO -0.03 -0.43 0.14 0.71 -0.81 0.00 0.00 175.30 174.88 2aal s TYR 39 N 1.19 0.13 0.00 5.12 2.02 -1.26 -5.12 117.35 119.43 2aal s TYR 39 Ca -0.03 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2aal s TYR 39 Cb -0.17 -0.71 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2aal s TYR 39 CO -0.08 -0.68 -0.03 -0.65 -1.57 0.00 0.00 175.55 172.54 2aal s GLN 40 N 2.16 0.26 0.14 -0.62 -0.21 -1.26 -1.24 119.66 118.90 2aal s GLN 40 Ca 0.06 -0.18 0.07 0.00 0.02 0.00 0.00 55.36 55.34 2aal s GLN 40 Cb -0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 2aal s GLN 40 CO -0.22 0.06 -0.17 0.95 -2.12 0.00 0.00 175.29 173.79 2aal s THR 41 N -0.23 1.62 -0.08 -0.19 -4.23 -0.05 -4.98 115.64 107.50 2aal s THR 41 Ca -0.01 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 2aal s THR 41 Cb -0.02 -1.69 0.02 0.00 1.34 0.00 0.00 72.50 72.14 2aal s THR 41 CO -0.00 -0.33 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.94 2aal s VAL 42 N -2.00 1.16 -0.24 2.29 1.01 -1.26 -0.04 120.40 121.32 2aal s VAL 42 Ca 0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2aal s VAL 42 Cb -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2aal s VAL 42 CO 0.05 0.37 -0.06 -0.44 0.00 0.00 0.00 175.10 175.02 2aal s SER 43 N 0.90 4.26 0.06 3.32 0.01 -0.41 -4.99 113.70 116.85 2aal s SER 43 Ca -0.10 -0.69 -0.05 0.00 1.31 0.00 0.00 55.95 56.42 2aal s SER 43 Cb -0.15 -1.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 2aal s SER 43 CO 0.01 -0.09 0.29 -1.10 0.41 0.00 0.00 173.24 172.76 2aal s GLN 44 N 1.38 3.57 0.06 12.44 -0.21 -1.26 -1.90 119.66 133.75 2aal s GLN 44 Ca 0.03 -0.13 0.07 0.00 0.02 0.00 0.00 55.36 55.35 2aal s GLN 44 Cb -0.16 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 2aal s GLN 44 CO -0.04 0.59 -0.20 -1.01 -2.12 0.00 0.00 175.29 172.50 2aal s HIS 45 N -1.44 1.74 0.68 0.91 3.76 0.88 -4.80 115.29 117.02 2aal s HIS 45 Ca 0.33 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.74 2aal s HIS 45 Cb -0.13 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.55 2aal s HIS 45 CO 0.21 0.12 1.06 1.03 -0.85 0.00 0.00 174.74 176.31 2aal s ARG 46 N -1.40 2.95 0.51 1.40 0.52 -1.26 -1.17 118.95 120.49 2aal s ARG 46 Ca 0.06 1.01 -0.23 0.00 -0.52 0.00 0.00 55.73 56.06 2aal s ARG 46 Cb -0.09 -1.99 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 2aal s ARG 46 CO 0.02 -1.09 1.23 -2.30 0.02 0.00 0.00 175.30 173.18 2aal n PRO 47 N -2.98 1.60 0.00 3.54 -0.02 -1.26 -1.26 135.00 134.63 2aal n PRO 47 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2aal n PRO 47 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2aal n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aal n GLY 48 N 0.90 2.99 0.22 -1.23 0.00 -1.26 -4.88 105.19 101.93 2aal n GLY 48 Ca 0.10 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.06 2aal n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2aal n GLU 49 N 0.00 0.73 -4.27 1.61 1.02 -0.39 -4.70 120.64 114.65 2aal n GLU 49 Ca 0.00 -0.43 -0.17 0.00 -0.02 0.00 0.00 57.16 56.53 2aal n GLU 49 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 2aal n GLU 49 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2aal s MET 50 N -2.57 0.65 -0.20 3.49 -1.94 -1.26 -5.00 119.30 112.48 2aal s MET 50 Ca 0.23 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 2aal s MET 50 Cb 0.19 -0.60 0.05 0.00 2.01 0.00 0.00 34.83 36.47 2aal s MET 50 CO 0.54 0.16 -0.08 0.08 -0.01 0.00 0.00 175.02 175.72 2aal s VAL 51 N -0.43 1.45 -0.32 -6.03 1.01 -1.26 -5.08 120.40 109.75 2aal s VAL 51 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2aal s VAL 51 Cb -0.05 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.84 2aal s VAL 51 CO -0.00 0.10 0.13 -0.76 0.00 0.00 0.00 175.10 174.58 2aal s LEU 52 N 1.47 1.67 0.00 3.92 1.43 -1.26 -5.11 118.68 120.81 2aal s LEU 52 Ca -0.01 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.38 2aal s LEU 52 Cb -0.16 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2aal s LEU 52 CO -0.08 -0.40 0.00 -0.62 0.23 0.00 0.00 176.35 175.49 2aal n GLU 53 N 4.74 3.53 -0.03 1.70 1.02 -1.26 -4.96 120.64 125.37 2aal n GLU 53 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2aal n GLU 53 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2aal n GLU 53 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2aal n ASP 54 N 0.00 0.00 -2.89 1.62 5.75 -1.26 -5.01 116.55 114.76 2aal n ASP 54 Ca 0.00 -1.04 -0.19 0.00 -0.01 0.00 0.00 54.79 53.55 2aal n ASP 54 Cb 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2aal n ASP 54 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2aal n THR 55 N 0.00 -1.07 -1.02 2.12 -1.04 -1.26 -0.79 114.28 111.22 2aal n THR 55 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2aal n THR 55 Cb 0.51 -2.25 -0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2aal n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aal n GLY 56 N -1.11 0.40 0.00 3.41 0.00 -1.26 -4.91 105.19 101.72 2aal n GLY 56 Ca -0.10 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2aal n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aal n LEU 57 N -0.07 0.00 -0.16 0.99 4.77 0.03 -4.93 117.00 117.63 2aal n LEU 57 Ca -0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2aal n LEU 57 Cb 0.16 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2aal n LEU 57 CO 0.01 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2aal n GLY 58 N 1.05 0.64 3.79 -0.72 0.00 -1.26 -5.06 105.19 103.63 2aal n GLY 58 Ca 0.06 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 2aal n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aal s TYR 59 N -2.33 3.74 -0.71 1.61 2.02 -1.26 -5.05 117.35 115.37 2aal s TYR 59 Ca 0.00 1.20 -0.13 0.00 -0.37 0.00 0.00 57.07 57.77 2aal s TYR 59 Cb 0.00 -2.52 0.18 0.00 -0.40 0.00 0.00 41.96 39.23 2aal s TYR 59 CO 0.00 0.50 0.64 0.20 -1.57 0.00 0.00 175.55 175.32 2aal s GLY 60 N -0.72 2.45 0.47 0.71 0.00 -1.26 -4.91 107.32 104.07 2aal s GLY 60 Ca 0.29 -3.05 -0.05 0.00 0.00 0.00 0.00 44.72 41.91 2aal s GLY 60 CO 0.17 1.22 0.78 0.50 0.00 0.00 0.00 173.10 175.77 2aal s ARG 61 N 0.62 3.55 0.24 2.90 1.81 -1.26 -4.61 118.95 122.20 2aal s ARG 61 Ca 0.13 0.19 0.05 0.00 -1.72 0.00 0.00 55.73 54.38 2aal s ARG 61 Cb -0.17 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2aal s ARG 61 CO -0.05 -0.19 0.18 -1.13 -0.68 0.00 0.00 175.30 173.44 2aal n SER 62 N -2.21 -0.23 0.18 0.23 3.41 -1.26 -5.03 113.62 108.71 2aal n SER 62 Ca 0.00 -2.55 0.13 0.00 -0.26 0.00 0.00 58.87 56.19 2aal n SER 62 Cb 0.55 1.11 0.64 0.00 -0.26 0.00 0.00 64.21 66.25 2aal n SER 62 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2aal h SER 63 N 1.40 0.00 0.08 4.04 4.64 -2.02 -2.07 113.55 119.62 2aal h SER 63 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2aal h SER 63 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2aal h SER 63 CO 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 2aal n ALA 64 N -1.84 2.54 -1.61 5.18 0.00 -1.26 -4.40 120.51 119.12 2aal n ALA 64 Ca -0.00 -0.17 -0.48 0.00 0.00 0.00 0.00 53.44 52.79 2aal n ALA 64 Cb 0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 2aal n ALA 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2aal n VAL 65 N -1.04 0.71 -4.07 0.00 3.14 -0.78 -4.95 118.33 111.33 2aal n VAL 65 Ca 0.20 -0.18 -0.34 0.00 -2.96 0.00 0.00 64.34 61.06 2aal n VAL 65 Cb 0.12 -1.07 -0.14 0.00 -1.06 0.00 0.00 33.84 31.68 2aal n VAL 65 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2aal s VAL 66 N 0.03 3.05 -0.26 1.55 1.01 0.67 -4.31 120.40 122.14 2aal s VAL 66 Ca 0.74 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2aal s VAL 66 Cb -0.79 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2aal s VAL 66 CO 0.50 0.46 0.16 -0.22 0.00 0.00 0.00 175.10 176.00 2aal s LEU 67 N 1.28 4.00 -0.19 3.92 2.96 -0.47 -1.40 118.68 128.77 2aal s LEU 67 Ca 0.03 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2aal s LEU 67 Cb -0.14 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 2aal s LEU 67 CO -0.04 0.01 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.72 2aal s LEU 68 N 1.41 2.94 -0.18 -0.68 2.96 0.80 -0.28 118.68 125.65 2aal s LEU 68 Ca 0.07 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2aal s LEU 68 Cb -0.15 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2aal s LEU 68 CO 0.07 0.05 0.02 0.42 -1.32 0.00 0.00 176.35 175.59 2aal s THR 69 N 1.09 4.32 -0.13 3.68 -4.23 0.12 -1.37 115.64 119.13 2aal s THR 69 Ca 0.01 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 2aal s THR 69 Cb -0.15 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 2aal s THR 69 CO -0.00 0.45 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.78 2aal s VAL 70 N 0.60 3.70 -0.18 2.29 1.01 0.28 -0.57 120.40 127.53 2aal s VAL 70 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2aal s VAL 70 Cb -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2aal s VAL 70 CO 0.02 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 2aal s ILE 71 N 0.01 3.34 0.02 2.22 1.01 0.08 -0.75 121.20 127.13 2aal s ILE 71 Ca -0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 2aal s ILE 71 Cb -0.14 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.87 2aal s ILE 71 CO 0.03 0.47 0.19 -0.55 0.00 0.00 0.00 174.94 175.09 2aal s SER 72 N 0.87 0.01 0.78 3.58 0.15 -0.59 -0.92 113.70 117.58 2aal s SER 72 Ca -0.02 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 2aal s SER 72 Cb -0.15 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 2aal s SER 72 CO 0.01 -0.50 1.08 -0.13 1.20 0.00 0.00 173.24 174.91 2aal s ARG 73 N -2.12 2.23 0.18 5.44 0.52 -1.26 -0.38 118.95 123.57 2aal s ARG 73 Ca -0.09 0.95 -0.32 0.00 -0.52 0.00 0.00 55.73 55.76 2aal s ARG 73 Cb -0.03 -1.91 -0.12 0.00 0.52 0.00 0.00 34.95 33.41 2aal s ARG 73 CO -0.01 -1.60 1.77 -2.30 0.02 0.00 0.00 175.30 173.17 2aal n PRO 74 N -3.47 2.81 -4.39 3.54 -0.02 -1.25 -4.82 135.00 127.40 2aal n PRO 74 Ca 0.08 1.01 -0.24 0.00 -2.02 0.00 0.00 63.50 62.33 2aal n PRO 74 Cb 0.54 -2.88 -0.09 0.00 -0.02 0.00 0.00 33.50 31.05 2aal n PRO 74 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aal s ARG 75 N 1.69 1.93 0.74 -0.52 1.81 -1.26 -5.12 118.95 118.20 2aal s ARG 75 Ca 0.77 -1.60 -0.12 0.00 -1.72 0.00 0.00 55.73 53.06 2aal s ARG 75 Cb -0.49 -1.94 0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2aal s ARG 75 CO 0.34 0.35 1.10 -1.54 -0.68 0.00 0.00 175.30 174.87 2aal s SER 76 N -3.50 4.64 0.34 0.23 1.04 -1.26 -4.84 113.70 110.35 2aal s SER 76 Ca 0.30 1.91 0.05 0.00 0.48 0.00 0.00 55.95 58.69 2aal s SER 76 Cb -0.06 -2.53 0.69 0.00 0.10 0.00 0.00 66.02 64.22 2aal s SER 76 CO 0.17 -1.94 1.93 -0.08 0.98 0.00 0.00 173.24 174.30 2aal h GLU 77 N -0.74 0.80 -0.31 4.02 4.81 -2.00 -1.59 114.58 119.58 2aal h GLU 77 Ca -0.45 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2aal h GLU 77 Cb 1.24 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2aal h GLU 77 CO 0.52 0.53 0.16 0.93 -0.73 0.00 0.00 179.01 180.41 2aal h GLU 78 N 0.82 0.44 -0.86 1.92 5.08 -1.99 -0.29 114.58 119.70 2aal h GLU 78 Ca 0.35 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2aal h GLU 78 Cb 0.30 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2aal h GLU 78 CO -0.13 0.40 0.57 1.96 -1.00 0.00 0.00 179.01 180.81 2aal h GLN 79 N 0.37 1.12 -0.06 2.33 4.20 -1.76 -0.44 115.11 120.87 2aal h GLN 79 Ca 0.11 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2aal h GLN 79 Cb 0.10 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2aal h GLN 79 CO -0.01 0.74 0.03 0.87 -0.67 0.00 0.00 178.83 179.79 2aal h LYS 80 N 1.15 0.08 -0.64 1.46 1.57 -0.93 0.88 116.57 120.15 2aal h LYS 80 Ca 0.32 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2aal h LYS 80 Cb -0.11 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 2aal h LYS 80 CO -0.08 0.15 0.38 0.28 -0.57 0.00 0.00 179.45 179.61 2aal h VAL 81 N -0.01 1.04 -0.61 0.50 2.07 -1.02 -1.67 116.25 116.55 2aal h VAL 81 Ca 0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2aal h VAL 81 Cb 0.09 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2aal h VAL 81 CO -0.00 0.13 0.29 0.00 0.02 0.00 0.00 177.57 178.01 2aal h PHE 83 N 0.83 0.01 -0.78 0.00 3.57 -0.05 -0.51 116.94 120.00 2aal h PHE 83 Ca 0.21 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.80 2aal h PHE 83 Cb 0.12 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 2aal h PHE 83 CO 0.00 -0.00 0.43 1.88 -2.23 0.00 0.00 178.31 178.39 2aal h TYR 84 N 0.04 0.78 -0.22 0.41 0.05 -1.19 0.19 116.97 117.03 2aal h TYR 84 Ca 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2aal h TYR 84 Cb 0.04 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 2aal h TYR 84 CO -0.12 0.32 0.01 0.87 -1.05 0.00 0.00 178.16 178.19 2aal h LYS 85 N 0.73 0.37 -0.40 4.88 1.57 -1.16 -2.43 116.57 120.14 2aal h LYS 85 Ca 0.37 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2aal h LYS 85 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2aal h LYS 85 CO -0.24 0.55 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.98 2aal h LEU 86 N 0.15 0.72 -0.30 2.94 3.38 -0.73 -0.71 115.31 120.77 2aal h LEU 86 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2aal h LEU 86 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2aal h LEU 86 CO 0.01 0.87 0.15 0.25 0.09 0.00 0.00 178.44 179.81 2aal h LEU 87 N 0.66 0.38 -0.83 1.67 5.85 -0.57 -1.00 115.31 121.48 2aal h LEU 87 Ca 0.11 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2aal h LEU 87 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2aal h LEU 87 CO 0.04 0.39 -0.36 0.71 -0.34 0.00 0.00 178.44 178.88 2aal h THR 88 N 0.35 1.29 -0.19 1.05 1.35 -1.09 -0.31 112.91 115.35 2aal h THR 88 Ca 0.10 -1.47 -0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2aal h THR 88 Cb 0.10 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2aal h THR 88 CO -0.01 0.46 0.12 1.23 -0.25 0.00 0.00 175.52 177.06 2aal h GLY 89 N 1.09 0.28 1.11 5.82 0.00 -0.91 -1.24 103.07 109.22 2aal h GLY 89 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2aal h GLY 89 CO 0.07 0.11 -0.27 0.00 0.00 0.00 0.00 176.54 176.45 2aal h ALA 90 N 1.03 0.64 -0.21 3.60 0.00 -1.02 -1.20 119.26 122.10 2aal h ALA 90 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2aal h ALA 90 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2aal h ALA 90 CO -0.01 0.66 -0.26 -0.07 0.00 0.00 0.00 179.25 179.57 2aal h LEU 91 N 0.81 0.39 0.26 0.00 3.38 -0.94 0.16 115.31 119.36 2aal h LEU 91 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2aal h LEU 91 Cb 0.85 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2aal h LEU 91 CO 0.08 0.65 -0.12 -0.08 0.09 0.00 0.00 178.44 179.05 2aal h GLU 92 N 0.34 -0.33 -0.10 1.13 4.57 -1.09 -2.09 114.58 117.02 2aal h GLU 92 Ca 0.05 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2aal h GLU 92 Cb 0.65 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 2aal h GLU 92 CO 0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 179.01 177.83 2aal h ARG 93 N -0.94 -0.04 0.00 1.92 3.08 -1.21 -0.67 114.38 116.53 2aal h ARG 93 Ca -0.04 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 2aal h ARG 93 Cb 0.49 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 2aal h ARG 93 CO 0.06 -0.03 -1.16 -0.44 -1.07 0.00 0.00 179.97 177.34 2aal h ASP 94 N -0.04 0.00 0.00 7.04 5.19 -0.82 -3.39 116.42 124.39 2aal h ASP 94 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2aal h ASP 94 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2aal h ASP 94 CO -0.12 0.94 -0.15 0.00 -3.12 0.00 0.00 179.24 176.78 2aal n GLY 96 N 1.11 0.46 3.66 0.00 0.00 -0.26 -4.97 105.19 105.19 2aal n GLY 96 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2aal n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aal s ILE 97 N -2.57 5.16 0.32 -0.61 1.01 -0.85 -4.95 121.20 118.70 2aal s ILE 97 Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.14 2aal s ILE 97 Cb 0.00 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 2aal s ILE 97 CO 0.00 0.21 1.54 -0.55 0.00 0.00 0.00 174.94 176.14 2aal s SER 98 N 1.15 6.39 0.62 3.58 0.15 -1.26 -3.17 113.70 121.17 2aal s SER 98 Ca 0.20 2.96 0.28 0.00 0.70 0.00 0.00 55.95 60.09 2aal s SER 98 Cb -0.15 -2.65 1.50 0.00 -1.71 0.00 0.00 66.02 63.02 2aal s SER 98 CO 0.09 -0.87 1.89 -0.65 1.20 0.00 0.00 173.24 174.89 2aal h PRO 99 N 4.21 0.00 0.00 5.44 0.11 -1.96 0.15 132.00 139.95 2aal h PRO 99 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2aal h PRO 99 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2aal h PRO 99 CO 0.74 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 2aal n ASP 100 N -3.36 0.00 -1.27 -2.05 9.92 -1.26 -2.90 116.55 115.62 2aal n ASP 100 Ca 0.04 0.50 -0.00 0.00 -0.53 0.00 0.00 54.79 54.79 2aal n ASP 100 Cb 0.56 -0.50 0.24 0.00 -0.64 0.00 0.00 41.12 40.78 2aal n ASP 100 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2aal n ASP 101 N -1.50 3.59 -3.94 -2.24 8.00 0.52 -4.44 116.55 116.54 2aal n ASP 101 Ca 0.03 -3.35 -0.26 0.00 0.71 0.00 0.00 54.79 51.92 2aal n ASP 101 Cb 0.14 -0.63 -0.17 0.00 -0.02 0.00 0.00 41.12 40.44 2aal n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aal s VAL 102 N -3.03 1.02 -0.04 2.53 1.01 -1.14 -0.24 120.40 120.51 2aal s VAL 102 Ca 0.46 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2aal s VAL 102 Cb 0.39 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 2aal s VAL 102 CO 0.07 0.36 -0.16 -0.63 0.00 0.00 0.00 175.10 174.73 2aal s ILE 103 N 1.37 1.35 -0.03 2.22 1.01 -0.50 -5.00 121.20 121.63 2aal s ILE 103 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2aal s ILE 103 Cb -0.14 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 2aal s ILE 103 CO -0.04 0.39 -0.12 -0.69 0.00 0.00 0.00 174.94 174.48 2aal s VAL 104 N 0.11 1.03 -0.06 2.92 1.01 -1.26 -0.14 120.40 124.01 2aal s VAL 104 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2aal s VAL 104 Cb -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2aal s VAL 104 CO 0.02 0.31 -0.07 0.00 0.00 0.00 0.00 175.10 175.36 2aal s ALA 105 N 0.03 0.92 -0.09 5.51 0.00 -0.47 -4.98 121.76 122.69 2aal s ALA 105 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 2aal s ALA 105 Cb -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2aal s ALA 105 CO 0.01 -0.08 -0.04 -1.17 0.00 0.00 0.00 175.76 174.48 2aal s LEU 106 N 1.06 3.34 -0.03 0.00 0.20 -1.26 -0.56 118.68 121.43 2aal s LEU 106 Ca -0.08 0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.82 2aal s LEU 106 Cb -0.14 -1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.85 2aal s LEU 106 CO -0.01 0.34 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.52 2aal s VAL 107 N -0.66 1.47 0.09 1.68 1.01 0.07 -4.96 120.40 119.10 2aal s VAL 107 Ca 0.10 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2aal s VAL 107 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2aal s VAL 107 CO 0.02 0.42 0.13 -1.61 0.00 0.00 0.00 175.10 174.05 2aal s GLU 108 N -0.27 3.03 0.00 2.72 2.02 -1.26 -1.55 118.70 123.40 2aal s GLU 108 Ca 0.03 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2aal s GLU 108 Cb -0.09 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2aal s GLU 108 CO 0.00 0.56 0.00 0.27 0.02 0.00 0.00 175.26 176.12 2aal n ASN 109 N 0.26 0.00 -1.82 -0.19 0.23 0.49 -4.90 115.26 109.33 2aal n ASN 109 Ca -0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.90 2aal n ASN 109 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 2aal n ASN 109 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2aal n SER 110 N 0.00 -0.13 -0.21 0.53 2.88 -1.26 -3.82 113.62 111.61 2aal n SER 110 Ca 0.00 -1.76 0.13 0.00 -1.33 0.00 0.00 58.87 55.91 2aal n SER 110 Cb 0.00 0.56 0.43 0.00 -0.75 0.00 0.00 64.21 64.45 2aal n SER 110 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2aal h ASP 111 N 0.69 0.53 -0.05 -3.46 3.32 -1.99 -0.78 116.42 114.68 2aal h ASP 111 Ca -0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2aal h ASP 111 Cb 0.42 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2aal h ASP 111 CO 0.12 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 2aal n ALA 112 N -2.48 2.59 -0.97 3.45 0.00 -1.26 -3.98 120.51 117.86 2aal n ALA 112 Ca 0.15 -0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2aal n ALA 112 Cb 0.46 -1.25 0.34 0.00 0.00 0.00 0.00 19.45 19.01 2aal n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aal n ASP 113 N -0.38 4.99 -3.95 0.00 8.00 -0.30 -4.90 116.55 120.01 2aal n ASP 113 Ca 0.16 -3.03 -0.17 0.00 0.71 0.00 0.00 54.79 52.46 2aal n ASP 113 Cb 0.18 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.48 2aal n ASP 113 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2aal s TRP 114 N -2.84 0.58 -0.17 1.24 0.52 -1.26 -4.93 118.94 112.09 2aal s TRP 114 Ca 0.51 -0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.49 2aal s TRP 114 Cb 0.40 -0.42 0.05 0.00 -1.15 0.00 0.00 33.47 32.35 2aal s TRP 114 CO 0.13 -0.05 0.02 0.45 0.02 0.00 0.00 176.95 177.52 2aal s SER 115 N 0.13 2.64 0.17 2.95 0.15 -1.26 -4.07 113.70 114.41 2aal s SER 115 Ca -0.01 -0.66 0.24 0.00 0.70 0.00 0.00 55.95 56.22 2aal s SER 115 Cb -0.05 -0.59 0.34 0.00 -1.71 0.00 0.00 66.02 64.01 2aal s SER 115 CO -0.00 -0.28 1.35 -0.26 1.20 0.00 0.00 173.24 175.25 2aal h PHE 116 N 8.25 0.00 0.00 3.44 0.04 -1.99 -3.48 116.94 123.20 2aal h PHE 116 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2aal h PHE 116 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2aal h PHE 116 CO 0.33 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 2aal n GLY 117 N 1.29 1.15 2.52 -1.45 0.00 -1.26 -5.00 105.19 102.43 2aal n GLY 117 Ca 0.03 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 2aal n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aal n ARG 118 N -0.09 -1.53 -1.94 1.61 1.74 -1.26 -1.41 116.66 113.78 2aal n ARG 118 Ca 0.00 1.15 -0.21 0.00 -0.77 0.00 0.00 57.85 58.02 2aal n ARG 118 Cb 0.00 -5.61 -0.05 0.00 -1.02 0.00 0.00 32.46 25.77 2aal n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aal n GLY 119 N -0.56 0.91 3.80 -0.13 0.00 -1.26 -4.98 105.19 102.98 2aal n GLY 119 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2aal n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 120 N -4.29 4.20 -0.98 1.61 0.52 -0.50 -5.03 118.95 114.49 2aal s ARG 120 Ca 0.00 0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 55.78 2aal s ARG 120 Cb 0.00 -3.25 0.20 0.00 0.52 0.00 0.00 34.95 32.42 2aal s ARG 120 CO 0.00 0.60 1.05 0.00 0.02 0.00 0.00 175.30 176.97 2aal s ALA 121 N -0.97 4.01 0.30 2.13 0.00 -1.26 -3.82 121.76 122.15 2aal s ALA 121 Ca 0.29 -3.29 0.22 0.00 0.00 0.00 0.00 51.96 49.18 2aal s ALA 121 Cb -0.19 -3.77 1.03 0.00 0.00 0.00 0.00 23.12 20.19 2aal s ALA 121 CO 0.18 -2.54 1.90 0.93 0.00 0.00 0.00 175.76 176.24 2aal h GLU 122 N 7.74 0.00 0.00 0.00 3.07 -1.90 0.59 114.58 124.08 2aal h GLU 122 Ca 0.17 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 2aal h GLU 122 Cb 0.97 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 2aal h GLU 122 CO 0.98 0.25 -0.46 0.74 -1.40 0.00 0.00 179.01 179.12 2aal h PHE 123 N 0.00 0.00 0.13 4.33 0.04 -1.79 -1.05 116.94 118.61 2aal h PHE 123 Ca -0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 2aal h PHE 123 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2aal h PHE 123 CO 0.00 0.46 -1.36 -0.07 -0.60 0.00 0.00 178.31 176.73 2aal h LEU 124 N 0.00 0.44 0.00 1.54 3.38 -1.15 -3.31 115.31 116.21 2aal h LEU 124 Ca -0.00 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2aal h LEU 124 Cb 1.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2aal h LEU 124 CO 0.06 1.41 -0.39 0.71 0.09 0.00 0.00 178.44 180.32 2aal h THR 125 N 0.08 0.34 0.00 0.22 1.35 -1.09 -3.47 112.91 110.34 2aal h THR 125 Ca -0.18 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2aal h THR 125 Cb 2.00 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 2aal h THR 125 CO 0.19 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2aal n GLY 126 N 1.17 0.50 0.32 5.82 0.00 -0.47 -4.94 105.19 107.59 2aal n GLY 126 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2aal n GLY 126 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2aal h ASP 127 N 0.00 0.10 -4.41 1.61 3.32 -1.70 -3.41 116.42 111.93 2aal h ASP 127 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 2aal h ASP 127 Cb 0.00 -0.02 -0.22 0.00 0.22 0.00 0.00 39.33 39.30 2aal h ASP 127 CO 0.00 0.07 -0.79 -0.76 -1.72 0.00 0.00 179.24 176.04 2aal s LEU 128 N -9.05 2.25 0.00 1.55 1.43 -1.02 -5.03 118.68 108.82 2aal s LEU 128 Ca -0.06 -0.58 0.24 0.00 -1.03 0.00 0.00 54.13 52.71 2aal s LEU 128 Cb 0.18 -0.57 0.21 0.00 0.03 0.00 0.00 46.19 46.05 2aal s LEU 128 CO 0.71 -0.03 1.27 0.52 0.23 0.00 0.00 176.35 179.05