#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 2.07 -0.25 1.53 2.96 0.35 -4.23 118.68 121.11 2aal s LEU 2 Ca 0.00 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2aal s LEU 2 Cb 0.00 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.31 2aal s LEU 2 CO 0.00 0.11 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.38 2aal s LEU 3 N 0.59 3.30 -0.21 -0.68 1.02 -0.36 -1.13 118.68 121.20 2aal s LEU 3 Ca -0.13 -0.64 -0.02 0.00 0.02 0.00 0.00 54.13 53.35 2aal s LEU 3 Cb -0.17 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.29 2aal s LEU 3 CO 0.04 -0.11 -0.09 -0.54 0.02 0.00 0.00 176.35 175.67 2aal s LYS 4 N 1.44 3.20 -0.14 1.70 1.02 0.81 -1.06 119.74 126.70 2aal s LYS 4 Ca 0.03 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 2aal s LYS 4 Cb -0.16 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 2aal s LYS 4 CO -0.02 -0.23 0.05 -0.06 -0.92 0.00 0.00 175.35 174.17 2aal s PHE 5 N 1.41 3.27 -0.20 3.18 0.40 0.45 -0.84 117.98 125.64 2aal s PHE 5 Ca 0.05 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 2aal s PHE 5 Cb -0.14 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 2aal s PHE 5 CO -0.06 0.34 -0.06 -0.51 0.70 0.00 0.00 175.22 175.63 2aal s ASP 6 N -0.27 4.27 0.21 1.36 1.01 0.19 -0.59 116.67 122.86 2aal s ASP 6 Ca 0.08 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2aal s ASP 6 Cb -0.12 -1.72 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 2aal s ASP 6 CO 0.02 0.03 0.08 -1.48 0.21 0.00 0.00 175.17 174.03 2aal s LEU 7 N 1.20 1.60 0.34 1.23 2.34 -0.83 -1.31 118.68 123.25 2aal s LEU 7 Ca 0.02 -1.33 -0.11 0.00 0.06 0.00 0.00 54.13 52.78 2aal s LEU 7 Cb -0.14 0.14 -0.07 0.00 -0.56 0.00 0.00 46.19 45.56 2aal s LEU 7 CO -0.02 -0.73 0.70 -0.36 -1.06 0.00 0.00 176.35 174.88 2aal s PHE 8 N -3.88 3.44 0.77 3.48 0.08 -1.26 -0.28 117.98 120.32 2aal s PHE 8 Ca 0.34 1.01 -0.15 0.00 0.12 0.00 0.00 56.93 58.26 2aal s PHE 8 Cb 0.07 -2.40 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2aal s PHE 8 CO 0.10 0.03 1.10 0.66 -0.10 0.00 0.00 175.22 177.02 2aal n TYR 9 N -0.84 1.03 0.00 0.36 4.01 -0.53 -4.52 117.16 116.66 2aal n TYR 9 Ca 0.02 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 2aal n TYR 9 Cb 0.54 -2.10 0.00 0.00 -0.31 0.00 0.00 39.34 37.46 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 0.79 1.27 3.79 2.72 0.00 -1.26 -4.98 105.19 107.53 2aal n GLY 10 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.63 0.80 1.61 0.52 -1.26 -5.04 118.95 119.21 2aal s ARG 11 Ca 0.00 1.42 -0.12 0.00 -0.52 0.00 0.00 55.73 56.51 2aal s ARG 11 Cb 0.00 -2.06 0.07 0.00 0.52 0.00 0.00 34.95 33.48 2aal s ARG 11 CO 0.00 -0.58 1.15 0.95 0.02 0.00 0.00 175.30 176.84 2aal s THR 12 N -1.96 2.44 0.28 0.02 -4.23 -1.26 -4.80 115.64 106.14 2aal s THR 12 Ca 0.69 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2aal s THR 12 Cb -0.18 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 70.85 2aal s THR 12 CO 0.23 -0.19 1.86 0.44 -0.54 0.00 0.00 174.62 176.43 2aal h ASP 13 N -1.03 0.95 0.38 3.99 3.32 -2.00 -0.43 116.42 121.60 2aal h ASP 13 Ca -0.46 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 2aal h ASP 13 Cb 1.31 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2aal h ASP 13 CO 0.64 0.55 -0.57 0.00 -1.72 0.00 0.00 179.24 178.15 2aal h ALA 14 N 1.51 0.92 -0.44 3.45 0.00 -1.99 -1.08 119.26 121.63 2aal h ALA 14 Ca 0.46 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2aal h ALA 14 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2aal h ALA 14 CO -0.22 0.71 -0.17 1.96 0.00 0.00 0.00 179.25 181.53 2aal h GLN 15 N 0.15 0.83 -0.54 0.00 4.20 -1.58 -0.39 115.11 117.79 2aal h GLN 15 Ca -0.00 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 2aal h GLN 15 Cb 1.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 2aal h GLN 15 CO 0.09 0.94 0.25 0.82 -0.67 0.00 0.00 178.83 180.26 2aal h ILE 16 N 0.74 1.20 -0.38 2.54 2.04 -0.82 -2.60 117.51 120.24 2aal h ILE 16 Ca 0.11 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 2aal h ILE 16 Cb 0.68 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2aal h ILE 16 CO 0.05 0.23 -0.25 0.50 0.00 0.00 0.00 178.15 178.68 2aal h LYS 17 N 0.72 0.78 -0.54 2.37 1.63 -0.99 -1.54 116.57 119.00 2aal h LYS 17 Ca 0.18 -0.33 0.06 0.00 -0.85 0.00 0.00 60.65 59.72 2aal h LYS 17 Cb 0.14 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 2aal h LYS 17 CO -0.02 0.95 0.24 0.77 -3.45 0.00 0.00 179.45 177.93 2aal h SER 18 N 0.67 0.30 -0.65 4.20 0.02 -1.02 0.12 113.55 117.19 2aal h SER 18 Ca 0.09 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2aal h SER 18 Cb 0.77 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2aal h SER 18 CO 0.06 0.20 0.41 0.25 -1.14 0.00 0.00 176.83 176.61 2aal h LEU 19 N 0.45 0.67 -0.28 5.07 5.85 -1.07 0.71 115.31 126.72 2aal h LEU 19 Ca 0.25 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2aal h LEU 19 Cb 0.23 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2aal h LEU 19 CO -0.22 0.47 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.17 2aal h LEU 20 N 0.80 0.59 -0.41 2.25 3.38 -0.95 0.77 115.31 121.75 2aal h LEU 20 Ca 0.26 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2aal h LEU 20 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2aal h LEU 20 CO -0.10 0.85 0.00 0.44 0.09 0.00 0.00 178.44 179.73 2aal h ASP 21 N 0.32 0.70 -0.57 -0.43 3.32 -0.59 -0.45 116.42 118.72 2aal h ASP 21 Ca 0.07 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 2aal h ASP 21 Cb 0.62 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2aal h ASP 21 CO 0.04 0.84 0.18 0.00 -1.72 0.00 0.00 179.24 178.58 2aal h ALA 22 N 0.89 0.75 -0.37 3.45 0.00 -0.68 0.91 119.26 124.21 2aal h ALA 22 Ca 0.12 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2aal h ALA 22 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aal h ALA 22 CO 0.02 0.41 -0.37 0.00 0.00 0.00 0.00 179.25 179.32 2aal h ALA 23 N 1.05 0.65 -0.12 0.00 0.00 -0.66 -2.07 119.26 118.11 2aal h ALA 23 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2aal h ALA 23 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2aal h ALA 23 CO -0.01 0.67 0.06 1.25 0.00 0.00 0.00 179.25 181.22 2aal h HIS 24 N 0.72 0.17 -0.54 0.00 6.17 -0.76 -0.56 115.15 120.35 2aal h HIS 24 Ca 0.06 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.24 2aal h HIS 24 Cb 0.94 -0.05 -0.08 0.00 2.52 0.00 0.00 27.41 30.73 2aal h HIS 24 CO 0.06 0.23 0.07 0.78 0.71 0.00 0.00 177.93 179.77 2aal h GLY 25 N 0.06 0.63 0.91 5.26 0.00 -0.76 -0.48 103.07 108.69 2aal h GLY 25 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2aal h GLY 25 CO -0.00 -0.12 0.36 0.00 0.00 0.00 0.00 176.54 176.78 2aal h ALA 26 N 1.45 0.75 0.12 3.60 0.00 -1.04 0.03 119.26 124.19 2aal h ALA 26 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2aal h ALA 26 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2aal h ALA 26 CO -0.40 0.11 -0.06 1.98 0.00 0.00 0.00 179.25 180.88 2aal h MET 27 N 0.73 -0.16 -0.51 0.00 -1.53 -0.23 -0.51 114.93 112.72 2aal h MET 27 Ca 0.23 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.56 2aal h MET 27 Cb -0.01 0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.03 2aal h MET 27 CO -0.09 -0.02 0.23 0.28 0.14 0.00 0.00 176.91 177.45 2aal h VAL 28 N -0.26 0.90 -0.63 -5.77 2.07 -0.93 0.17 116.25 111.80 2aal h VAL 28 Ca -0.02 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.41 2aal h VAL 28 Cb 0.21 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2aal h VAL 28 CO 0.03 0.08 0.33 0.44 0.02 0.00 0.00 177.57 178.46 2aal h ASP 29 N 0.44 0.46 0.36 0.57 3.32 -0.74 0.24 116.42 121.07 2aal h ASP 29 Ca 0.23 0.04 -0.27 0.00 0.02 0.00 0.00 57.03 57.05 2aal h ASP 29 Cb 0.19 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.71 2aal h ASP 29 CO -0.20 0.30 -1.16 0.00 -1.72 0.00 0.00 179.24 176.46 2aal h ALA 30 N 1.35 0.14 0.00 3.45 0.00 -0.57 -3.38 119.26 120.24 2aal h ALA 30 Ca 0.29 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2aal h ALA 30 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2aal h ALA 30 CO -0.20 0.82 -1.81 1.19 0.00 0.00 0.00 179.25 179.25 2aal n PHE 31 N -3.69 0.00 -2.10 0.00 3.72 0.53 -4.82 117.46 111.11 2aal n PHE 31 Ca -0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.28 2aal n PHE 31 Cb 0.96 -0.45 -0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.66 0.32 3.95 1.37 0.00 0.83 -5.04 105.19 108.28 2aal n GLY 32 Ca -0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.20 3.89 0.49 1.61 -7.23 -1.26 -5.07 120.40 110.64 2aal s VAL 33 Ca 0.01 -0.51 -0.23 0.00 -1.81 0.00 0.00 61.98 59.44 2aal s VAL 33 Cb -0.00 -3.44 -0.07 0.00 0.56 0.00 0.00 36.38 33.43 2aal s VAL 33 CO 0.01 -0.31 1.32 -2.65 -0.31 0.00 0.00 175.10 173.16 2aal n PRO 34 N -2.10 1.82 0.24 4.82 -0.02 -1.26 -4.88 135.00 133.62 2aal n PRO 34 Ca 0.02 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 2aal n PRO 34 Cb 0.58 -2.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.73 1.95 -0.42 3.55 0.00 -1.99 -1.32 119.26 122.76 2aal h ALA 35 Ca -0.50 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2aal h ALA 35 Cb 1.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2aal h ALA 35 CO 0.58 0.04 0.14 0.27 0.00 0.00 0.00 179.25 180.28 2aal n ASN 36 N -4.51 3.65 -3.78 0.00 0.23 -1.26 -4.43 115.26 105.15 2aal n ASN 36 Ca -0.03 -2.68 -0.42 0.00 -0.53 0.00 0.00 54.58 50.92 2aal n ASN 36 Cb 0.10 -0.64 0.01 0.00 -2.08 0.00 0.00 39.78 37.17 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 0.07 6.74 -4.14 0.53 2.03 -0.50 -4.90 116.55 116.38 2aal n ASP 37 Ca 0.23 -3.39 -0.34 0.00 0.52 0.00 0.00 54.79 51.81 2aal n ASP 37 Cb 0.94 -1.30 -0.14 0.00 -0.72 0.00 0.00 41.12 39.90 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 -2.37 2.45 -0.16 -0.67 3.52 -1.26 -4.71 118.95 115.75 2aal s ARG 38 Ca 0.39 -1.23 -0.03 0.00 -0.13 0.00 0.00 55.73 54.73 2aal s ARG 38 Cb 0.12 -3.03 0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2aal s ARG 38 CO -0.01 -0.55 0.03 0.71 -0.81 0.00 0.00 175.30 174.66 2aal s TYR 39 N 1.21 0.87 -0.06 5.12 2.02 -1.26 -5.12 117.35 120.14 2aal s TYR 39 Ca -0.05 -0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 2aal s TYR 39 Cb -0.19 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 2aal s TYR 39 CO -0.03 -0.53 0.16 -0.65 -1.57 0.00 0.00 175.55 172.92 2aal s GLN 40 N 1.91 0.18 0.13 -0.62 -0.21 -1.26 -1.23 119.66 118.57 2aal s GLN 40 Ca 0.01 0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.67 2aal s GLN 40 Cb -0.16 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 2aal s GLN 40 CO -0.07 -0.03 -0.12 0.95 -2.12 0.00 0.00 175.29 173.90 2aal s THR 41 N 0.13 1.24 -0.07 -0.19 -4.23 -0.23 -4.98 115.64 107.31 2aal s THR 41 Ca -0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2aal s THR 41 Cb -0.02 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.19 2aal s THR 41 CO -0.00 -0.58 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.75 2aal s VAL 42 N -2.70 0.73 -0.23 2.29 1.01 -1.26 -0.41 120.40 119.84 2aal s VAL 42 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 2aal s VAL 42 Cb -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2aal s VAL 42 CO 0.02 0.29 -0.07 -0.44 0.00 0.00 0.00 175.10 174.90 2aal s SER 43 N 1.25 4.14 -0.02 3.32 0.01 0.24 -4.97 113.70 117.67 2aal s SER 43 Ca -0.05 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.52 2aal s SER 43 Cb -0.14 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 2aal s SER 43 CO -0.02 -0.06 0.25 -1.10 0.41 0.00 0.00 173.24 172.72 2aal s GLN 44 N 1.40 3.58 0.02 12.44 -0.21 -1.26 -1.97 119.66 133.66 2aal s GLN 44 Ca 0.04 -0.04 0.07 0.00 0.02 0.00 0.00 55.36 55.44 2aal s GLN 44 Cb -0.15 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.72 2aal s GLN 44 CO -0.05 0.69 -0.20 -1.01 -2.12 0.00 0.00 175.29 172.59 2aal s HIS 45 N -1.21 1.79 0.79 0.91 3.76 0.61 -4.80 115.29 117.13 2aal s HIS 45 Ca 0.24 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 2aal s HIS 45 Cb -0.13 -1.09 0.06 0.00 1.11 0.00 0.00 32.58 32.53 2aal s HIS 45 CO 0.13 0.05 1.11 1.03 -0.85 0.00 0.00 174.74 176.21 2aal s ARG 46 N -0.94 2.17 0.51 1.40 0.52 -1.26 -1.46 118.95 119.89 2aal s ARG 46 Ca 0.07 0.48 -0.23 0.00 -0.52 0.00 0.00 55.73 55.53 2aal s ARG 46 Cb -0.08 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 2aal s ARG 46 CO 0.01 -1.52 1.38 -2.14 0.02 0.00 0.00 175.30 173.05 2aal s PRO 47 N -5.28 3.37 0.00 3.54 0.02 -1.26 -1.65 135.00 133.74 2aal s PRO 47 Ca 0.61 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2aal s PRO 47 Cb -0.13 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2aal s PRO 47 CO 0.53 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2aal n GLY 48 N 0.66 3.01 0.05 0.52 0.00 -1.26 -4.86 105.19 103.31 2aal n GLY 48 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.42 0.16 -4.26 1.61 1.02 -0.66 -4.75 120.64 113.34 2aal n GLU 49 Ca 0.00 -0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 2aal n GLU 49 Cb 0.00 -1.50 -0.13 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 -2.91 0.71 -0.13 3.49 -1.94 -1.26 -5.00 119.30 112.25 2aal s MET 50 Ca 0.14 -0.55 -0.00 0.00 -1.71 0.00 0.00 55.69 53.57 2aal s MET 50 Cb 0.18 -0.65 0.03 0.00 2.01 0.00 0.00 34.83 36.40 2aal s MET 50 CO 0.67 0.16 -0.08 0.08 -0.01 0.00 0.00 175.02 175.84 2aal s VAL 51 N -0.68 1.13 -0.23 -6.03 1.01 -1.26 -5.07 120.40 109.27 2aal s VAL 51 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2aal s VAL 51 Cb -0.06 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.22 2aal s VAL 51 CO 0.00 0.33 0.06 -0.76 0.00 0.00 0.00 175.10 174.73 2aal s LEU 52 N 1.65 1.38 0.00 3.92 1.43 -1.26 -5.12 118.68 120.69 2aal s LEU 52 Ca 0.04 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 2aal s LEU 52 Cb -0.13 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2aal s LEU 52 CO -0.08 -0.35 0.00 -0.62 0.23 0.00 0.00 176.35 175.53 2aal n GLU 53 N 5.02 3.71 -0.26 1.70 1.02 -1.26 -4.95 120.64 125.62 2aal n GLU 53 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2aal n GLU 53 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.05 -1.97 1.62 5.75 -1.26 -4.99 116.55 115.75 2aal n ASP 54 Ca 0.00 -1.54 -0.11 0.00 -0.01 0.00 0.00 54.79 53.13 2aal n ASP 54 Cb 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.02 -0.29 -1.01 2.12 -1.04 -1.26 -0.81 114.28 111.97 2aal n THR 55 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2aal n THR 55 Cb 0.60 -1.31 -0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.52 0.46 0.16 3.41 0.00 -1.26 -4.91 105.19 102.53 2aal n GLY 56 Ca -0.12 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.64 2aal n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aal h LEU 57 N 0.00 0.00 0.00 0.99 3.38 -1.39 -3.47 115.31 114.81 2aal h LEU 57 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aal h LEU 57 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2aal h LEU 57 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2aal n GLY 58 N 0.74 0.67 3.59 0.83 0.00 -1.26 -5.06 105.19 104.69 2aal n GLY 58 Ca 0.04 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 3.04 -1.58 1.61 2.02 -1.26 -4.98 117.35 114.19 2aal s TYR 59 Ca 0.00 0.57 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 2aal s TYR 59 Cb 0.00 -3.68 0.00 0.00 -0.40 0.00 0.00 41.96 37.88 2aal s TYR 59 CO 0.00 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 2aal n GLY 60 N 4.61 1.53 3.88 0.71 0.00 -1.26 -4.75 105.19 109.91 2aal n GLY 60 Ca 0.06 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2aal n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aal s ARG 61 N -3.27 3.77 0.19 1.61 1.81 -1.26 -4.55 118.95 117.25 2aal s ARG 61 Ca 0.00 0.26 0.03 0.00 -1.72 0.00 0.00 55.73 54.30 2aal s ARG 61 Cb 0.00 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.90 2aal s ARG 61 CO 0.00 0.22 0.12 -1.13 -0.68 0.00 0.00 175.30 173.84 2aal n SER 62 N -0.55 0.10 0.23 0.23 3.41 -1.26 -5.01 113.62 110.76 2aal n SER 62 Ca 0.00 -2.14 0.16 0.00 -0.26 0.00 0.00 58.87 56.63 2aal n SER 62 Cb 0.53 0.77 0.77 0.00 -0.26 0.00 0.00 64.21 66.02 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 1.00 0.00 0.40 4.04 4.64 -2.01 -1.83 113.55 119.78 2aal h SER 63 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2aal h SER 63 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2aal h SER 63 CO 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 2aal n ALA 64 N -1.93 2.42 -1.53 5.18 0.00 -1.26 -4.34 120.51 119.05 2aal n ALA 64 Ca -0.01 -0.14 -0.48 0.00 0.00 0.00 0.00 53.44 52.81 2aal n ALA 64 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.22 1.37 -4.49 0.00 3.14 -0.69 -4.93 118.33 111.50 2aal n VAL 65 Ca 0.15 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.87 2aal n VAL 65 Cb 0.19 -0.60 -0.16 0.00 -1.06 0.00 0.00 33.84 32.20 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 -0.59 1.98 -0.24 1.55 1.01 0.58 -4.28 120.40 120.41 2aal s VAL 66 Ca 0.69 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2aal s VAL 66 Cb -0.87 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2aal s VAL 66 CO 0.56 0.53 0.11 -0.22 0.00 0.00 0.00 175.10 176.08 2aal s LEU 67 N 0.97 3.76 -0.13 3.92 2.96 -0.43 -1.28 118.68 128.46 2aal s LEU 67 Ca -0.04 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2aal s LEU 67 Cb -0.15 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2aal s LEU 67 CO -0.05 0.03 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.69 2aal s LEU 68 N 1.27 2.88 -0.16 -0.68 2.96 0.13 -0.63 118.68 124.44 2aal s LEU 68 Ca 0.06 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2aal s LEU 68 Cb -0.14 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 2aal s LEU 68 CO 0.05 0.18 -0.12 0.28 -1.32 0.00 0.00 176.35 175.42 2aal s THR 69 N 0.28 2.98 -0.11 3.68 -1.32 -0.02 -0.87 115.64 120.25 2aal s THR 69 Ca -0.08 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 2aal s THR 69 Cb -0.15 -2.28 -0.02 0.00 -1.51 0.00 0.00 72.50 68.54 2aal s THR 69 CO 0.05 0.50 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.14 2aal s VAL 70 N 0.80 3.15 -0.17 5.08 1.01 -0.16 -0.13 120.40 129.98 2aal s VAL 70 Ca -0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2aal s VAL 70 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2aal s VAL 70 CO 0.01 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 174.97 2aal s ILE 71 N 0.10 3.70 -0.18 2.22 1.01 -0.29 -0.52 121.20 127.25 2aal s ILE 71 Ca -0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 2aal s ILE 71 Cb -0.15 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.74 2aal s ILE 71 CO 0.04 0.47 0.52 -0.55 0.00 0.00 0.00 174.94 175.42 2aal s SER 72 N 0.68 -0.53 0.89 3.58 0.15 -0.57 -0.49 113.70 117.41 2aal s SER 72 Ca -0.02 0.97 -0.14 0.00 0.70 0.00 0.00 55.95 57.46 2aal s SER 72 Cb -0.15 0.99 0.01 0.00 -1.71 0.00 0.00 66.02 65.16 2aal s SER 72 CO 0.02 -0.22 0.39 0.54 1.20 0.00 0.00 173.24 175.17 2aal n ARG 73 N 2.59 -0.11 -1.74 5.44 1.74 -1.26 -1.24 116.66 122.09 2aal n ARG 73 Ca -0.14 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.53 2aal n ARG 73 Cb 0.56 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2aal n ARG 73 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2aal s PRO 74 N -3.33 4.14 0.30 5.56 0.02 -1.26 -4.80 135.00 135.64 2aal s PRO 74 Ca 0.59 2.58 0.08 0.00 0.02 0.00 0.00 61.00 64.26 2aal s PRO 74 Cb -0.25 -3.47 -0.04 0.00 0.02 0.00 0.00 34.50 30.77 2aal s PRO 74 CO 0.65 -0.81 0.18 1.03 -0.33 0.00 0.00 177.00 177.73 2aal s ARG 75 N 2.35 2.64 0.72 5.54 1.81 -1.26 -5.13 118.95 125.62 2aal s ARG 75 Ca 0.79 -1.29 -0.11 0.00 -1.72 0.00 0.00 55.73 53.39 2aal s ARG 75 Cb -0.46 -2.39 0.02 0.00 -0.45 0.00 0.00 34.95 31.67 2aal s ARG 75 CO 0.35 0.24 1.08 -1.54 -0.68 0.00 0.00 175.30 174.74 2aal s SER 76 N -3.86 5.02 0.21 0.23 1.04 -1.26 -4.83 113.70 110.25 2aal s SER 76 Ca 0.36 1.75 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 2aal s SER 76 Cb -0.06 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.79 2aal s SER 76 CO 0.24 -1.69 1.82 -0.08 0.98 0.00 0.00 173.24 174.51 2aal h GLU 77 N -0.74 0.71 -0.37 4.02 4.81 -2.00 -0.23 114.58 120.78 2aal h GLU 77 Ca -0.44 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.82 2aal h GLU 77 Cb 1.22 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 2aal h GLU 77 CO 0.54 0.47 -0.04 0.93 -0.73 0.00 0.00 179.01 180.19 2aal h GLU 78 N 0.73 0.06 -0.62 1.92 3.07 -1.99 0.73 114.58 118.48 2aal h GLU 78 Ca 0.30 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2aal h GLU 78 Cb 0.16 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2aal h GLU 78 CO -0.17 0.04 0.35 1.96 -1.40 0.00 0.00 179.01 179.79 2aal h GLN 79 N 0.06 0.86 -0.11 2.33 4.20 -1.69 0.25 115.11 121.01 2aal h GLN 79 Ca 0.18 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2aal h GLN 79 Cb 0.26 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2aal h GLN 79 CO -0.33 0.64 0.06 0.87 -0.67 0.00 0.00 178.83 179.40 2aal h LYS 80 N 0.84 0.15 -0.88 1.46 1.57 -0.48 0.11 116.57 119.34 2aal h LYS 80 Ca 0.22 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2aal h LYS 80 Cb 0.03 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2aal h LYS 80 CO -0.04 0.17 0.56 0.28 -0.57 0.00 0.00 179.45 179.85 2aal h VAL 81 N 0.10 1.08 -0.25 0.50 2.07 -0.61 -1.30 116.25 117.85 2aal h VAL 81 Ca 0.04 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2aal h VAL 81 Cb 0.06 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2aal h VAL 81 CO -0.01 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 2aal h PHE 83 N 0.23 -0.12 -0.70 0.00 3.57 -0.06 0.31 116.94 120.17 2aal h PHE 83 Ca 0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2aal h PHE 83 Cb 0.59 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2aal h PHE 83 CO 0.06 -0.20 0.46 1.88 -2.23 0.00 0.00 178.31 178.28 2aal h TYR 84 N 0.08 0.90 -0.27 0.41 0.05 -1.16 0.29 116.97 117.27 2aal h TYR 84 Ca 0.32 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.94 2aal h TYR 84 Cb 0.52 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2aal h TYR 84 CO -0.40 0.57 -0.52 0.87 -1.05 0.00 0.00 178.16 177.63 2aal h LYS 85 N 0.96 0.83 -0.73 4.88 1.57 -1.21 -2.09 116.57 120.78 2aal h LYS 85 Ca 0.26 -0.53 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2aal h LYS 85 Cb -0.09 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2aal h LYS 85 CO -0.05 1.16 0.32 -0.07 -0.57 0.00 0.00 179.45 180.24 2aal h LEU 86 N 0.59 0.98 0.18 2.94 4.07 0.09 -1.88 115.31 122.28 2aal h LEU 86 Ca 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2aal h LEU 86 Cb 1.13 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2aal h LEU 86 CO 0.12 0.86 -0.08 0.25 -1.08 0.00 0.00 178.44 178.50 2aal h LEU 87 N 1.03 -0.20 -0.88 1.67 5.85 -0.16 -0.97 115.31 121.65 2aal h LEU 87 Ca 0.25 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 2aal h LEU 87 Cb 0.16 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2aal h LEU 87 CO -0.03 -0.10 -0.42 0.71 -0.34 0.00 0.00 178.44 178.26 2aal h THR 88 N -0.28 1.31 -0.03 1.05 1.35 -1.39 -0.56 112.91 114.36 2aal h THR 88 Ca -0.02 -1.55 0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2aal h THR 88 Cb 0.22 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 2aal h THR 88 CO 0.04 0.47 -0.12 1.23 -0.25 0.00 0.00 175.52 176.89 2aal h GLY 89 N 1.21 -0.12 1.18 5.82 0.00 -1.26 0.13 103.07 110.03 2aal h GLY 89 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 2aal h GLY 89 CO 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 176.54 176.38 2aal h ALA 90 N 0.80 0.83 -0.16 3.60 0.00 -0.86 -1.91 119.26 121.56 2aal h ALA 90 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2aal h ALA 90 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2aal h ALA 90 CO -0.14 0.66 -0.49 -0.07 0.00 0.00 0.00 179.25 179.21 2aal h LEU 91 N 0.86 0.46 0.08 0.00 3.38 -1.01 0.11 115.31 119.18 2aal h LEU 91 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2aal h LEU 91 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2aal h LEU 91 CO 0.05 0.87 -0.04 -0.08 0.09 0.00 0.00 178.44 179.33 2aal h GLU 92 N 0.34 -0.10 -0.34 1.13 4.81 -0.86 -1.78 114.58 117.77 2aal h GLU 92 Ca 0.02 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2aal h GLU 92 Cb 0.98 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2aal h GLU 92 CO 0.09 0.15 0.04 0.00 -0.73 0.00 0.00 179.01 178.56 2aal h ARG 93 N -0.35 0.57 0.00 1.92 3.08 -1.21 -1.50 114.38 116.90 2aal h ARG 93 Ca -0.01 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 2aal h ARG 93 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2aal h ARG 93 CO 0.02 0.66 -1.40 -0.25 -1.07 0.00 0.00 179.97 177.93 2aal n ASP 94 N -4.57 0.81 0.00 7.04 8.00 0.35 -4.49 116.55 123.69 2aal n ASP 94 Ca -0.02 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2aal n ASP 94 Cb 0.23 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2aal n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aal n GLY 96 N 0.60 0.76 3.64 0.00 0.00 -0.56 -4.97 105.19 104.66 2aal n GLY 96 Ca 0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.30 5.12 0.35 -0.61 1.01 -0.78 -4.96 121.20 119.03 2aal s ILE 97 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 2aal s ILE 97 Cb 0.00 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 2aal s ILE 97 CO 0.00 0.16 1.48 -0.24 0.00 0.00 0.00 174.94 176.34 2aal n SER 98 N 5.08 3.62 0.29 3.58 2.88 -1.26 -3.03 113.62 124.78 2aal n SER 98 Ca -0.06 1.20 0.19 0.00 -1.33 0.00 0.00 58.87 58.87 2aal n SER 98 Cb 0.50 -1.59 0.97 0.00 -0.75 0.00 0.00 64.21 63.35 2aal n SER 98 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aal h PRO 99 N 3.38 0.00 0.00 -1.46 0.11 -1.97 0.18 132.00 132.25 2aal h PRO 99 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aal h PRO 99 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2aal h PRO 99 CO 0.68 0.00 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.01 2aal h ASP 100 N 0.00 0.00 -0.70 -2.05 5.19 -1.89 -2.75 116.42 114.22 2aal h ASP 100 Ca 0.03 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.29 2aal h ASP 100 Cb 0.33 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.74 2aal h ASP 100 CO -0.00 0.02 0.19 0.47 -3.12 0.00 0.00 179.24 176.80 2aal n ASP 101 N -3.82 5.15 -4.08 6.45 8.00 0.63 -4.57 116.55 124.30 2aal n ASP 101 Ca -0.03 -3.13 -0.30 0.00 0.71 0.00 0.00 54.79 52.04 2aal n ASP 101 Cb 0.10 -0.73 -0.17 0.00 -0.02 0.00 0.00 41.12 40.30 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 -2.91 1.68 -0.05 2.53 1.01 -1.04 -0.31 120.40 121.31 2aal s VAL 102 Ca 0.55 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2aal s VAL 102 Cb 0.43 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2aal s VAL 102 CO 0.14 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.95 2aal s ILE 103 N 1.02 1.21 -0.04 2.22 1.01 -0.41 -5.00 121.20 121.21 2aal s ILE 103 Ca -0.05 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2aal s ILE 103 Cb -0.15 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2aal s ILE 103 CO -0.03 0.36 -0.13 -0.69 0.00 0.00 0.00 174.94 174.45 2aal s VAL 104 N 0.40 1.14 -0.06 2.92 1.01 -1.26 0.19 120.40 124.74 2aal s VAL 104 Ca -0.10 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2aal s VAL 104 Cb -0.14 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2aal s VAL 104 CO 0.03 0.34 -0.14 0.00 0.00 0.00 0.00 175.10 175.33 2aal s ALA 105 N 0.23 1.34 -0.02 5.51 0.00 -0.05 -4.98 121.76 123.80 2aal s ALA 105 Ca -0.06 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2aal s ALA 105 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2aal s ALA 105 CO 0.02 0.18 -0.17 -0.51 0.00 0.00 0.00 175.76 175.27 2aal s LEU 106 N 0.40 2.57 0.08 0.00 1.43 -1.26 -0.98 118.68 120.91 2aal s LEU 106 Ca -0.10 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2aal s LEU 106 Cb -0.14 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2aal s LEU 106 CO 0.03 0.31 -0.18 0.68 0.23 0.00 0.00 176.35 177.43 2aal s VAL 107 N -0.77 1.45 0.21 -1.59 -7.23 0.32 -4.95 120.40 107.84 2aal s VAL 107 Ca 0.12 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.04 2aal s VAL 107 Cb -0.10 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2aal s VAL 107 CO 0.02 -0.05 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.08 2aal s GLU 108 N -1.63 2.13 0.00 4.82 2.02 -1.26 -1.51 118.70 123.27 2aal s GLU 108 Ca 0.04 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2aal s GLU 108 Cb -0.09 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.98 2aal s GLU 108 CO 0.03 0.41 0.00 0.27 0.02 0.00 0.00 175.26 175.99 2aal n ASN 109 N -0.26 0.00 -3.04 -0.19 0.23 -0.37 -4.87 115.26 106.76 2aal n ASN 109 Ca -0.09 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.78 2aal n ASN 109 Cb 0.57 0.00 -0.07 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 -0.65 0.02 0.53 2.88 -1.26 -4.05 113.62 111.09 2aal n SER 110 Ca 0.00 -3.00 0.06 0.00 -1.33 0.00 0.00 58.87 54.60 2aal n SER 110 Cb 0.00 1.53 0.47 0.00 -0.75 0.00 0.00 64.21 65.46 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 1.87 0.39 0.20 -3.46 3.32 -1.99 -2.33 116.42 114.41 2aal h ASP 111 Ca -0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2aal h ASP 111 Cb 1.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2aal h ASP 111 CO 0.31 0.27 -0.00 0.00 -1.72 0.00 0.00 179.24 178.10 2aal n ALA 112 N -2.49 2.62 -0.63 3.45 0.00 -1.26 -3.92 120.51 118.28 2aal n ALA 112 Ca 0.04 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.37 2aal n ALA 112 Cb 0.12 -1.50 0.27 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.07 4.00 -4.13 0.00 8.00 -0.87 -4.90 116.55 117.58 2aal n ASP 113 Ca 0.20 -2.52 -0.22 0.00 0.71 0.00 0.00 54.79 52.96 2aal n ASP 113 Cb 0.16 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 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 -1.96 1.29 -0.20 1.24 0.52 -1.25 -4.94 118.94 113.65 2aal s TRP 114 Ca 0.40 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.21 2aal s TRP 114 Cb 0.28 -0.81 0.07 0.00 -1.15 0.00 0.00 33.47 31.85 2aal s TRP 114 CO 0.17 -0.00 0.08 0.45 0.02 0.00 0.00 176.95 177.67 2aal s SER 115 N -0.58 2.69 0.12 2.95 0.15 -1.26 -4.10 113.70 113.66 2aal s SER 115 Ca 0.05 -0.78 0.26 0.00 0.70 0.00 0.00 55.95 56.18 2aal s SER 115 Cb -0.06 -0.37 0.76 0.00 -1.71 0.00 0.00 66.02 64.63 2aal s SER 115 CO 0.00 -0.35 1.66 0.49 1.20 0.00 0.00 173.24 176.24 2aal n PHE 116 N 5.20 0.53 -3.64 3.44 3.72 -1.26 -4.95 117.46 120.50 2aal n PHE 116 Ca -0.07 0.15 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 2aal n PHE 116 Cb 0.47 -0.70 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 2aal n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2aal s GLY 117 N -3.40 -0.11 -1.39 1.37 0.00 -1.26 -5.02 107.32 97.51 2aal s GLY 117 Ca 0.10 2.21 0.00 0.00 0.00 0.00 0.00 44.72 47.04 2aal s GLY 117 CO 0.62 0.79 0.00 0.54 0.00 0.00 0.00 173.10 175.06 2aal n ARG 118 N 0.16 -1.49 -1.15 2.90 1.74 -1.26 -1.52 116.66 116.04 2aal n ARG 118 Ca 0.03 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 57.91 2aal n ARG 118 Cb 0.57 -5.11 -0.02 0.00 -1.02 0.00 0.00 32.46 26.88 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 -0.08 0.75 3.91 -0.13 0.00 -1.26 -5.02 105.19 103.35 2aal n GLY 119 Ca -0.13 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.98 3.49 -0.86 1.61 0.52 -0.57 -5.04 118.95 116.11 2aal s ARG 120 Ca 0.00 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 2aal s ARG 120 Cb 0.00 -3.00 0.22 0.00 0.52 0.00 0.00 34.95 32.69 2aal s ARG 120 CO 0.00 0.59 0.79 0.00 0.02 0.00 0.00 175.30 176.70 2aal s ALA 121 N -1.51 4.15 0.36 2.13 0.00 -1.26 -4.06 121.76 121.57 2aal s ALA 121 Ca 0.35 -3.45 0.27 0.00 0.00 0.00 0.00 51.96 49.13 2aal s ALA 121 Cb -0.13 -3.37 1.35 0.00 0.00 0.00 0.00 23.12 20.97 2aal s ALA 121 CO 0.26 -2.24 2.02 0.93 0.00 0.00 0.00 175.76 176.73 2aal h GLU 122 N 7.36 0.00 -0.03 0.00 3.07 -1.90 0.14 114.58 123.22 2aal h GLU 122 Ca 0.11 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.84 2aal h GLU 122 Cb 0.98 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 2aal h GLU 122 CO 0.80 0.14 -0.57 0.74 -1.40 0.00 0.00 179.01 178.72 2aal h PHE 123 N 0.00 0.11 -0.12 4.33 0.04 -1.78 -1.78 116.94 117.74 2aal h PHE 123 Ca -0.00 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.57 2aal h PHE 123 Cb 0.42 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.55 2aal h PHE 123 CO 0.00 0.63 -0.56 -0.07 -0.60 0.00 0.00 178.31 177.71 2aal h LEU 124 N 0.06 0.71 -1.03 1.54 3.38 -0.97 -3.25 115.31 115.76 2aal h LEU 124 Ca -0.00 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 2aal h LEU 124 Cb 1.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2aal h LEU 124 CO 0.08 1.22 -0.02 0.71 0.09 0.00 0.00 178.44 180.52 2aal h THR 125 N 0.23 0.05 0.00 0.22 1.35 -1.26 -3.47 112.91 110.04 2aal h THR 125 Ca -0.04 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2aal h THR 125 Cb 1.20 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2aal h THR 125 CO 0.12 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 2aal n GLY 126 N 0.34 0.70 0.21 5.82 0.00 -0.89 -4.94 105.19 106.42 2aal n GLY 126 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -3.27 1.61 3.32 -1.65 -3.39 116.42 113.05 2aal h ASP 127 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2aal h ASP 127 Cb 0.00 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.20 2aal h ASP 127 CO 0.00 0.31 -0.81 -0.76 -1.72 0.00 0.00 179.24 176.26 2aal s LEU 128 N -7.65 1.40 0.00 1.55 1.43 -0.97 -5.03 118.68 109.40 2aal s LEU 128 Ca -0.02 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2aal s LEU 128 Cb 0.13 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.49 2aal s LEU 128 CO 0.68 -0.06 0.00 1.33 0.23 0.00 0.00 176.35 178.53