#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl s VAL 2 N 0.00 -0.02 -0.14 1.12 0.11 -1.26 -5.13 120.40 115.09 2akl s VAL 2 Ca 0.00 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.81 2akl s VAL 2 Cb 0.00 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2akl s VAL 2 CO 0.00 0.02 1.33 -0.44 -3.33 0.00 0.00 175.10 172.69 2akl s SER 3 N 0.68 6.90 -0.41 3.54 0.01 -1.26 -4.99 113.70 118.17 2akl s SER 3 Ca -0.04 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.90 2akl s SER 3 Cb -0.05 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.68 2akl s SER 3 CO -0.04 -0.78 0.28 0.28 0.41 0.00 0.00 173.24 173.38 2akl s THR 4 N 3.52 4.80 0.09 1.44 -1.32 -1.26 -5.08 115.64 117.83 2akl s THR 4 Ca 0.58 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 60.09 2akl s THR 4 Cb -0.24 -3.78 -0.04 0.00 -1.51 0.00 0.00 72.50 66.93 2akl s THR 4 CO 0.18 -0.39 0.21 -0.76 -2.21 0.00 0.00 174.62 171.64 2akl s LEU 5 N 1.57 4.25 0.73 9.08 1.43 -1.26 -5.10 118.68 129.39 2akl s LEU 5 Ca 0.03 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2akl s LEU 5 Cb -0.21 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.18 2akl s LEU 5 CO 0.06 0.14 1.07 -2.16 0.23 0.00 0.00 176.35 175.69 2akl s PRO 6 N -2.71 2.60 0.00 1.29 0.04 -1.26 -5.07 135.00 129.89 2akl s PRO 6 Ca 0.34 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2akl s PRO 6 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2akl s PRO 6 CO 0.27 -1.36 0.00 -2.30 0.04 0.00 0.00 177.00 173.65 2akl n PRO 7 N -3.32 -0.44 -3.53 0.56 -0.02 -1.26 -4.84 135.00 122.14 2akl n PRO 7 Ca 0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.18 2akl n PRO 7 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2akl n PRO 9 N 4.86 0.36 -0.00 0.00 -0.04 -1.26 0.09 135.00 139.01 2akl n PRO 9 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2akl n PRO 9 Cb 0.52 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2akl n PRO 9 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2akl n GLN 10 N -0.67 2.28 -0.05 0.54 7.27 -1.26 -4.89 117.38 120.60 2akl n GLN 10 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.01 2akl n GLN 10 Cb 0.01 -1.00 -0.04 0.00 2.41 0.00 0.00 30.24 31.62 2akl n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2akl n ASN 12 N -3.04 -1.17 -0.04 0.00 5.15 0.11 -4.86 115.26 111.41 2akl n ASN 12 Ca -0.19 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.77 2akl n ASN 12 Cb 0.68 -1.05 0.23 0.00 -0.53 0.00 0.00 39.78 39.11 2akl n ASN 12 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2akl h SER 13 N 0.00 0.59 0.00 1.20 4.64 -1.95 -3.44 113.55 114.59 2akl h SER 13 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2akl h SER 13 Cb 0.10 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2akl h SER 13 CO 0.00 0.69 0.00 -0.62 -0.87 0.00 0.00 176.83 176.03 2akl n GLU 14 N -4.23 0.00 0.00 4.77 1.02 -1.26 -4.93 120.64 116.02 2akl n GLU 14 Ca 0.02 0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 2akl n GLU 14 Cb 0.29 -2.66 0.40 0.00 -0.02 0.00 0.00 31.44 29.46 2akl n GLU 14 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2akl n TYR 15 N -2.95 0.00 -1.72 -0.32 4.02 -1.26 -4.85 117.16 110.08 2akl n TYR 15 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.50 2akl n TYR 15 Cb 0.20 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.55 2akl n TYR 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2akl n THR 16 N -0.89 3.49 -3.97 -0.72 -1.04 -1.26 -4.43 114.28 105.47 2akl n THR 16 Ca 0.10 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.51 2akl n THR 16 Cb 0.05 -1.58 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 2akl n THR 16 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2akl s TYR 17 N -1.29 0.48 -0.36 -1.42 1.13 -1.11 -4.98 117.35 109.79 2akl s TYR 17 Ca 0.69 -0.89 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2akl s TYR 17 Cb -0.44 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 40.74 2akl s TYR 17 CO 0.51 -1.20 0.21 -1.83 -2.51 0.00 0.00 175.55 170.73 2akl s GLU 18 N -3.29 2.96 -0.92 -3.49 -1.05 -1.26 -1.57 118.70 110.08 2akl s GLU 18 Ca 0.22 -0.99 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2akl s GLU 18 Cb -0.02 -3.73 0.26 0.00 -0.44 0.00 0.00 34.13 30.21 2akl s GLU 18 CO 0.13 -0.64 1.04 -3.47 0.95 0.00 0.00 175.26 173.27 2akl n ASP 19 N 5.01 4.97 0.00 0.83 2.03 -1.13 -4.98 116.55 123.28 2akl n ASP 19 Ca -0.12 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 51.89 2akl n ASP 19 Cb 0.47 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2akl n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 20 N 1.63 0.98 1.10 0.27 0.00 -1.26 -4.30 105.19 103.61 2akl n GLY 20 Ca 0.25 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.40 2akl n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl n ALA 21 N 2.45 2.96 -3.40 4.61 0.00 -1.26 -4.99 120.51 120.88 2akl n ALA 21 Ca 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 53.44 51.52 2akl n ALA 21 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2akl n ALA 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2akl n LEU 22 N 0.14 0.00 -4.51 0.00 -0.00 -1.26 -4.98 117.00 106.39 2akl n LEU 22 Ca 0.21 -1.22 -0.34 0.00 -0.00 0.00 0.00 56.01 54.67 2akl n LEU 22 Cb 0.84 1.54 -0.12 0.00 -0.00 0.00 0.00 43.42 45.67 2akl n LEU 22 CO 0.18 -0.36 -0.38 -0.76 -0.00 0.00 0.00 177.39 176.07 2akl s LEU 23 N 0.00 3.12 -0.09 1.47 1.43 -0.46 -2.83 118.68 121.32 2akl s LEU 23 Ca 0.09 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2akl s LEU 23 Cb -0.02 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2akl s LEU 23 CO 0.07 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 175.99 2akl s VAL 24 N -0.14 2.28 -0.41 -1.59 1.01 -0.61 -0.71 120.40 120.23 2akl s VAL 24 Ca 0.02 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2akl s VAL 24 Cb -0.13 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2akl s VAL 24 CO 0.03 0.56 0.33 0.00 0.00 0.00 0.00 175.10 176.01 2akl n PRO 26 N 5.24 0.40 -0.06 0.00 -0.04 -1.26 -2.68 135.00 136.59 2akl n PRO 26 Ca -0.10 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 2akl n PRO 26 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2akl n PRO 26 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2akl h GLU 27 N 0.00 0.00 -0.54 0.54 4.81 -1.91 -3.40 114.58 114.08 2akl h GLU 27 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2akl h GLU 27 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2akl h GLU 27 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 2akl n ALA 29 N 0.82 -0.67 -3.57 0.00 0.00 -1.09 -4.98 120.51 111.02 2akl n ALA 29 Ca 0.17 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 2akl n ALA 29 Cb 0.51 -2.58 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 2akl n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2akl s HIS 30 N -3.01 0.15 0.60 0.00 5.04 -1.22 -5.04 115.29 111.81 2akl s HIS 30 Ca 0.09 0.05 -0.00 0.00 -1.54 0.00 0.00 55.06 53.66 2akl s HIS 30 Cb -0.04 -0.27 0.05 0.00 0.04 0.00 0.00 32.58 32.36 2akl s HIS 30 CO 0.12 -0.09 0.85 -1.21 -2.34 0.00 0.00 174.74 172.07 2akl s GLU 31 N 0.83 2.36 0.01 2.88 8.01 -1.26 -2.50 118.70 129.03 2akl s GLU 31 Ca -0.08 -0.73 -0.28 0.00 0.01 0.00 0.00 54.97 53.89 2akl s GLU 31 Cb -0.11 -2.41 0.10 0.00 -4.31 0.00 0.00 34.13 27.40 2akl s GLU 31 CO -0.02 -0.91 0.91 1.67 0.01 0.00 0.00 175.26 176.92 2akl s TRP 32 N -2.90 -0.31 -0.11 1.61 1.48 0.12 -4.94 118.94 113.88 2akl s TRP 32 Ca 0.59 0.15 0.02 0.00 -1.06 0.00 0.00 56.10 55.80 2akl s TRP 32 Cb -0.10 0.55 0.01 0.00 -1.16 0.00 0.00 33.47 32.78 2akl s TRP 32 CO 0.40 -0.57 -0.16 -1.12 -4.06 0.00 0.00 176.95 171.44 2akl s SER 33 N -2.55 2.50 0.36 -2.66 0.01 -1.26 -1.36 113.70 108.74 2akl s SER 33 Ca 0.06 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 56.94 2akl s SER 33 Cb -0.01 -1.12 0.75 0.00 0.21 0.00 0.00 66.02 65.85 2akl s SER 33 CO -0.07 0.02 1.93 1.55 0.41 0.00 0.00 173.24 177.07 2akl h PRO 34 N 7.43 0.74 0.00 12.44 0.13 -1.95 -3.04 132.00 147.75 2akl h PRO 34 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2akl h PRO 34 Cb 1.17 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2akl h PRO 34 CO 0.50 0.49 -0.78 0.27 -0.23 0.00 0.00 178.00 178.25 2akl n ASN 35 N -4.50 1.65 0.29 1.44 6.94 -1.26 -4.78 115.26 115.04 2akl n ASN 35 Ca 0.13 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.83 2akl n ASN 35 Cb 0.30 0.00 0.88 0.00 -2.36 0.00 0.00 39.78 38.60 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2akl h GLU 36 N 0.00 0.00 0.00 -3.83 4.57 -1.88 -1.75 114.58 111.70 2akl h GLU 36 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2akl h GLU 36 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2akl h GLU 36 CO 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 179.01 177.84 2akl n ALA 37 N -2.33 1.11 0.20 2.92 0.00 -1.15 -0.06 120.51 121.20 2akl n ALA 37 Ca -0.03 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2akl n ALA 37 Cb 0.10 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.38 2akl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2akl h ALA 38 N 2.03 0.90 -0.23 0.00 0.00 -1.59 -3.42 119.26 116.96 2akl h ALA 38 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2akl h ALA 38 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2akl h ALA 38 CO 0.00 0.19 0.00 2.41 0.00 0.00 0.00 179.25 181.85 2akl n THR 39 N -3.14 0.00 -2.87 0.00 -1.04 0.91 -5.15 114.28 103.00 2akl n THR 39 Ca 0.03 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2akl n THR 39 Cb 0.59 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2akl n ALA 40 N -2.40 0.00 -0.69 2.41 0.00 -0.21 -5.02 120.51 114.60 2akl n ALA 40 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2akl n ALA 40 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 2akl n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2akl n SER 41 N -0.19 4.76 -1.32 0.00 7.64 -1.26 -3.84 113.62 119.42 2akl n SER 41 Ca 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2akl n SER 41 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2akl n SER 41 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2akl n ASP 42 N 0.82 -6.96 0.00 6.43 2.03 -1.26 -5.00 116.55 112.62 2akl n ASP 42 Ca 0.25 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2akl n ASP 42 Cb 0.92 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 38.11 2akl n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2akl n ASP 43 N 0.42 1.56 0.00 1.67 2.03 -1.26 -5.04 116.55 115.93 2akl n ASP 43 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2akl n ASP 43 Cb 0.00 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 44 N 1.75 0.49 0.09 0.27 0.00 -1.26 -5.01 105.19 101.51 2akl n GLY 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2akl n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2akl h LYS 45 N 0.00 0.00 -6.35 1.61 1.57 -1.92 -3.44 116.57 108.03 2akl h LYS 45 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2akl h LYS 45 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2akl h LYS 45 CO 0.00 0.87 0.06 0.08 -0.57 0.00 0.00 179.45 179.89 2akl s VAL 46 N -2.94 4.59 0.08 0.50 1.01 -1.26 -4.64 120.40 117.73 2akl s VAL 46 Ca 0.01 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 2akl s VAL 46 Cb 0.10 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2akl s VAL 46 CO 0.80 0.53 1.02 -0.63 0.00 0.00 0.00 175.10 176.82 2akl s ILE 47 N -1.07 4.46 -0.05 2.22 -1.09 -1.26 -4.95 121.20 119.47 2akl s ILE 47 Ca 0.32 1.92 0.05 0.00 -2.23 0.00 0.00 60.65 60.72 2akl s ILE 47 Cb -0.21 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 2akl s ILE 47 CO 0.22 0.24 -0.22 -0.75 -1.23 0.00 0.00 174.94 173.20 2akl s LYS 48 N 0.40 2.20 0.55 2.79 2.20 -1.26 -2.05 119.74 124.57 2akl s LYS 48 Ca 0.50 -0.79 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 2akl s LYS 48 Cb -0.24 -1.90 0.09 0.00 -1.51 0.00 0.00 37.83 34.27 2akl s LYS 48 CO 0.30 0.34 0.77 -0.25 -0.36 0.00 0.00 175.35 176.14 2akl n ASP 49 N 2.99 1.88 0.00 1.43 8.00 -0.36 -4.47 116.55 126.02 2akl n ASP 49 Ca -0.18 -2.39 0.10 0.00 0.71 0.00 0.00 54.79 53.04 2akl n ASP 49 Cb 0.52 -0.42 0.54 0.00 -0.02 0.00 0.00 41.12 41.75 2akl n ASP 49 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2akl n SER 50 N -2.44 0.00 0.12 -2.24 2.88 -0.75 -1.14 113.62 110.05 2akl n SER 50 Ca 0.15 -0.06 0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2akl n SER 50 Cb 0.56 -0.27 0.07 0.00 -0.75 0.00 0.00 64.21 63.82 2akl n SER 50 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2akl h VAL 51 N 0.00 0.00 0.00 2.46 2.07 -1.88 -3.47 116.25 115.43 2akl h VAL 51 Ca 0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2akl h VAL 51 Cb 0.19 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2akl h VAL 51 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2akl n GLY 52 N 1.20 0.31 3.81 2.17 0.00 -0.29 -5.06 105.19 107.34 2akl n GLY 52 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2akl n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2akl s ASN 53 N -2.28 7.02 -0.13 1.61 6.03 -1.26 -4.75 114.94 121.18 2akl s ASN 53 Ca 0.00 1.70 -0.06 0.00 -1.03 0.00 0.00 52.86 53.47 2akl s ASN 53 Cb 0.00 -2.54 -0.04 0.00 -3.03 0.00 0.00 41.25 35.64 2akl s ASN 53 CO 0.00 -0.28 0.08 -0.69 -2.03 0.00 0.00 177.10 174.18 2akl s VAL 54 N -2.04 4.99 0.57 3.54 1.01 -1.26 -1.22 120.40 125.99 2akl s VAL 54 Ca 0.59 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2akl s VAL 54 Cb -0.11 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.16 2akl s VAL 54 CO 0.16 0.57 0.79 -0.76 0.00 0.00 0.00 175.10 175.86 2akl s LEU 55 N -0.61 3.24 -0.02 3.92 1.02 -0.87 -5.00 118.68 120.36 2akl s LEU 55 Ca 0.11 -0.38 0.07 0.00 0.02 0.00 0.00 54.13 53.95 2akl s LEU 55 Cb -0.12 -2.31 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 2akl s LEU 55 CO 0.02 -1.30 -0.23 -1.58 0.02 0.00 0.00 176.35 173.28 2akl s GLN 56 N -4.76 1.94 -0.49 1.70 2.00 -1.26 -4.79 119.66 114.00 2akl s GLN 56 Ca 0.60 -0.82 -0.27 0.00 -2.00 0.00 0.00 55.36 52.88 2akl s GLN 56 Cb -0.08 -1.83 -0.03 0.00 0.80 0.00 0.00 33.01 31.87 2akl s GLN 56 CO 0.39 0.46 1.99 0.34 -0.50 0.00 0.00 175.29 177.98 2akl s ASP 57 N -0.45 5.23 0.00 6.67 2.15 -1.26 -0.76 116.67 128.25 2akl s ASP 57 Ca 0.06 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.88 2akl s ASP 57 Cb -0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2akl s ASP 57 CO -0.00 -2.31 0.00 0.61 -0.17 0.00 0.00 175.17 173.30 2akl n GLY 58 N 5.71 0.99 3.84 2.66 0.00 -0.49 -4.92 105.19 112.98 2akl n GLY 58 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2akl n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akl s ASP 59 N -0.91 3.00 -0.11 1.61 2.15 0.06 -2.92 116.67 119.54 2akl s ASP 59 Ca 0.00 0.55 -0.05 0.00 0.43 0.00 0.00 52.55 53.48 2akl s ASP 59 Cb 0.00 -0.79 -0.04 0.00 -0.30 0.00 0.00 42.92 41.79 2akl s ASP 59 CO 0.00 -2.83 0.07 -0.89 -0.17 0.00 0.00 175.17 171.35 2akl s THR 60 N -3.57 4.87 0.36 1.71 2.01 -1.26 -0.65 115.64 119.11 2akl s THR 60 Ca 0.70 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.75 2akl s THR 60 Cb -0.08 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 2akl s THR 60 CO 0.53 0.60 -0.05 0.27 -0.69 0.00 0.00 174.62 175.28 2akl s ILE 61 N -0.83 2.05 -0.18 1.82 -5.25 0.69 -1.00 121.20 118.51 2akl s ILE 61 Ca 0.13 -2.12 -0.05 0.00 -0.99 0.00 0.00 60.65 57.62 2akl s ILE 61 Cb -0.12 -2.74 0.09 0.00 2.95 0.00 0.00 42.46 42.64 2akl s ILE 61 CO 0.03 -0.14 0.32 -0.89 -1.79 0.00 0.00 174.94 172.47 2akl s THR 62 N -2.72 -0.51 0.09 8.37 2.01 0.15 -1.87 115.64 121.17 2akl s THR 62 Ca 0.33 0.14 -0.32 0.00 0.31 0.00 0.00 61.69 62.15 2akl s THR 62 Cb 0.05 -0.60 -0.11 0.00 0.01 0.00 0.00 72.50 71.85 2akl s THR 62 CO 0.16 0.02 1.82 0.55 -0.69 0.00 0.00 174.62 176.49 2akl n VAL 63 N 5.36 0.37 -0.19 3.82 3.14 -1.16 -0.32 118.33 129.36 2akl n VAL 63 Ca -0.06 -0.07 0.08 0.00 -2.96 0.00 0.00 64.34 61.33 2akl n VAL 63 Cb 0.50 -2.03 0.30 0.00 -1.06 0.00 0.00 33.84 31.54 2akl n VAL 63 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2akl n ILE 64 N 4.65 1.37 -4.18 1.55 -0.00 -0.31 0.09 119.36 122.53 2akl n ILE 64 Ca 0.19 -0.95 -0.12 0.00 -0.00 0.00 0.00 62.75 61.87 2akl n ILE 64 Cb 0.35 0.14 -0.10 0.00 -0.00 0.00 0.00 39.64 40.03 2akl n ILE 64 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2akl s LYS 65 N -1.66 0.87 -0.63 6.28 2.47 -1.21 -4.75 119.74 121.11 2akl s LYS 65 Ca 0.43 -1.31 -0.28 0.00 -1.56 0.00 0.00 55.97 53.25 2akl s LYS 65 Cb 0.26 -0.32 0.02 0.00 -1.46 0.00 0.00 37.83 36.33 2akl s LYS 65 CO 0.22 0.01 1.34 0.16 0.16 0.00 0.00 175.35 177.25 2akl s ASP 66 N -2.94 6.17 -0.13 1.43 -4.77 -1.26 -2.35 116.67 112.82 2akl s ASP 66 Ca 0.11 0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.38 2akl s ASP 66 Cb 0.03 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.30 2akl s ASP 66 CO -0.03 -1.73 -0.16 -0.76 0.70 0.00 0.00 175.17 173.19 2akl s LEU 67 N 5.86 2.55 0.73 2.11 2.01 0.13 -5.02 118.68 127.05 2akl s LEU 67 Ca 0.45 -0.40 -0.05 0.00 0.01 0.00 0.00 54.13 54.14 2akl s LEU 67 Cb -0.09 -1.56 0.10 0.00 0.01 0.00 0.00 46.19 44.65 2akl s LEU 67 CO 0.22 0.15 1.02 -1.59 1.01 0.00 0.00 176.35 177.15 2akl s LYS 68 N 0.46 1.81 -0.13 1.70 -2.85 -1.26 0.99 119.74 120.45 2akl s LYS 68 Ca -0.11 -0.67 0.01 0.00 -1.00 0.00 0.00 55.97 54.20 2akl s LYS 68 Cb -0.16 -2.22 0.02 0.00 -2.06 0.00 0.00 37.83 33.40 2akl s LYS 68 CO 0.05 -1.43 -0.17 0.08 0.10 0.00 0.00 175.35 173.99 2akl s VAL 69 N -3.24 1.67 -0.00 1.79 1.01 -1.15 -4.67 120.40 115.81 2akl s VAL 69 Ca 0.64 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2akl s VAL 69 Cb -0.08 -1.52 -0.33 0.00 0.00 0.00 0.00 36.38 34.45 2akl s VAL 69 CO 0.45 0.47 0.97 0.07 0.00 0.00 0.00 175.10 177.06 2akl h LYS 70 N 7.58 0.45 0.00 2.72 2.10 -1.99 -3.32 116.57 124.12 2akl h LYS 70 Ca -0.34 -0.74 -0.01 0.00 -2.00 0.00 0.00 60.65 57.56 2akl h LYS 70 Cb 1.17 0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 32.77 2akl h LYS 70 CO 0.52 1.35 -0.08 0.78 -2.00 0.00 0.00 179.45 180.02 2akl h GLY 71 N -0.06 0.00 -1.42 0.07 0.00 -1.96 -3.46 103.07 96.24 2akl h GLY 71 Ca -0.20 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.54 2akl h GLY 71 CO 0.22 0.00 -0.45 -0.56 0.00 0.00 0.00 176.54 175.75 2akl s SER 72 N -6.20 4.43 0.00 0.19 0.01 -1.25 -5.03 113.70 105.85 2akl s SER 72 Ca 0.06 -1.22 0.24 0.00 1.31 0.00 0.00 55.95 56.34 2akl s SER 72 Cb 0.05 -0.07 0.39 0.00 0.21 0.00 0.00 66.02 66.60 2akl s SER 72 CO 0.68 -0.75 1.38 -1.20 0.41 0.00 0.00 173.24 173.76 2akl n SER 73 N -1.38 2.93 -4.76 2.44 7.64 -1.26 -4.68 113.62 114.55 2akl n SER 73 Ca -0.04 -1.93 -0.39 0.00 1.01 0.00 0.00 58.87 57.51 2akl n SER 73 Cb 0.65 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2akl s LEU 74 N -1.79 4.57 -0.06 -3.43 1.02 -1.26 -5.00 118.68 112.74 2akl s LEU 74 Ca 0.33 1.93 0.01 0.00 0.02 0.00 0.00 54.13 56.42 2akl s LEU 74 Cb 0.21 -3.71 -0.03 0.00 0.02 0.00 0.00 46.19 42.68 2akl s LEU 74 CO 0.31 0.10 -0.06 -0.69 0.02 0.00 0.00 176.35 176.03 2akl s VAL 75 N -1.29 3.80 -0.28 -1.59 1.01 -1.26 -2.93 120.40 117.86 2akl s VAL 75 Ca 0.43 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2akl s VAL 75 Cb -0.24 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2akl s VAL 75 CO 0.30 0.56 0.22 -0.69 0.00 0.00 0.00 175.10 175.49 2akl s VAL 76 N -0.86 5.29 0.11 2.92 1.01 0.28 -4.97 120.40 124.18 2akl s VAL 76 Ca 0.13 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2akl s VAL 76 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2akl s VAL 76 CO 0.03 0.23 -0.15 -1.59 0.00 0.00 0.00 175.10 173.61 2akl s LYS 77 N 1.80 1.89 -0.80 2.72 0.00 -1.26 0.21 119.74 124.30 2akl s LYS 77 Ca 0.08 -1.13 -0.26 0.00 0.00 0.00 0.00 55.97 54.67 2akl s LYS 77 Cb -0.16 -2.17 -0.17 0.00 0.00 0.00 0.00 37.83 35.32 2akl s LYS 77 CO 0.11 0.49 2.49 1.55 0.00 0.00 0.00 175.35 179.99 2akl n VAL 78 N 0.77 -0.03 0.00 1.79 3.14 -0.99 -0.19 118.33 122.82 2akl n VAL 78 Ca -0.15 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 2akl n VAL 78 Cb 0.53 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 2akl n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2akl n GLY 79 N 6.23 0.01 3.58 7.55 0.00 0.11 -4.92 105.19 117.74 2akl n GLY 79 Ca 0.54 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.16 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -0.89 3.11 -0.38 2.61 2.01 0.74 -4.86 115.64 117.98 2akl s THR 80 Ca 0.00 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 2akl s THR 80 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2akl s THR 80 CO 0.00 -0.17 0.54 -0.75 -0.69 0.00 0.00 174.62 173.55 2akl s LYS 81 N 7.05 3.46 -0.15 4.92 2.20 -1.26 -2.97 119.74 132.99 2akl s LYS 81 Ca 0.93 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 2akl s LYS 81 Cb -0.23 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.24 2akl s LYS 81 CO 0.30 -0.77 -0.14 0.08 -0.36 0.00 0.00 175.35 174.46 2akl s VAL 82 N 2.48 1.58 0.24 4.02 1.01 -0.78 -4.99 120.40 123.96 2akl s VAL 82 Ca 0.19 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2akl s VAL 82 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2akl s VAL 82 CO 0.15 0.42 0.18 -1.59 0.00 0.00 0.00 175.10 174.26 2akl s LYS 83 N 1.48 2.89 -0.95 2.72 -2.85 -1.26 -0.22 119.74 121.55 2akl s LYS 83 Ca 0.04 -1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 53.92 2akl s LYS 83 Cb -0.13 -2.55 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2akl s LYS 83 CO -0.10 0.41 0.81 0.09 0.10 0.00 0.00 175.35 176.66 2akl n ASN 84 N -1.08 -3.96 -3.38 0.03 3.02 0.17 -4.86 115.26 105.21 2akl n ASN 84 Ca -0.08 -0.42 -0.30 0.00 -0.03 0.00 0.00 54.58 53.75 2akl n ASN 84 Cb 0.58 -3.84 0.27 0.00 -0.61 0.00 0.00 39.78 36.18 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2akl n ILE 85 N -3.92 0.00 -4.44 2.41 -5.35 -1.01 -4.56 119.36 102.49 2akl n ILE 85 Ca -0.08 -0.24 -0.28 0.00 -0.27 0.00 0.00 62.75 61.88 2akl n ILE 85 Cb 0.58 -1.11 -0.17 0.00 -1.74 0.00 0.00 39.64 37.20 2akl n ILE 85 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2akl s ARG 86 N -5.27 2.17 -0.28 6.28 6.06 0.15 -1.40 118.95 126.67 2akl s ARG 86 Ca 0.69 -0.54 -0.29 0.00 -2.50 0.00 0.00 55.73 53.09 2akl s ARG 86 Cb -0.09 -1.86 0.01 0.00 0.06 0.00 0.00 34.95 33.07 2akl s ARG 86 CO 0.55 -0.07 1.05 -0.51 -2.50 0.00 0.00 175.30 173.82 2akl s LEU 87 N 1.00 4.01 -0.04 -0.88 1.43 -1.26 -0.77 118.68 122.17 2akl s LEU 87 Ca -0.06 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 2akl s LEU 87 Cb -0.15 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2akl s LEU 87 CO -0.02 -0.77 1.00 -0.69 0.23 0.00 0.00 176.35 176.10 2akl s VAL 88 N 3.42 4.79 -1.06 -1.59 1.01 -1.15 -4.95 120.40 120.87 2akl s VAL 88 Ca 0.44 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 64.37 2akl s VAL 88 Cb -0.13 -4.30 0.26 0.00 0.00 0.00 0.00 36.38 32.21 2akl s VAL 88 CO 0.11 0.10 1.03 1.51 0.00 0.00 0.00 175.10 177.85 2akl s ASP 89 N 1.06 7.01 0.00 3.32 -4.77 -1.26 -4.50 116.67 117.52 2akl s ASP 89 Ca 0.51 -3.63 0.00 0.00 -3.30 0.00 0.00 52.55 46.13 2akl s ASP 89 Cb -0.20 -2.14 0.00 0.00 -1.09 0.00 0.00 42.92 39.49 2akl s ASP 89 CO 0.24 -0.26 0.00 0.61 0.70 0.00 0.00 175.17 176.46 2akl n GLY 90 N 2.61 -2.11 0.00 2.12 0.00 -1.26 -5.12 105.19 101.42 2akl n GLY 90 Ca 0.23 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2akl n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2akl n ASP 91 N -1.20 0.00 -2.61 1.61 2.03 -1.26 -4.92 116.55 110.20 2akl n ASP 91 Ca 0.00 -0.70 -0.35 0.00 0.52 0.00 0.00 54.79 54.26 2akl n ASP 91 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2akl n ASP 91 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2akl n HIS 92 N -1.13 3.10 -3.20 -0.67 8.25 -1.26 -4.82 115.22 115.49 2akl n HIS 92 Ca 0.00 -2.63 -0.20 0.00 -0.26 0.00 0.00 57.72 54.62 2akl n HIS 92 Cb 0.00 -0.97 0.01 0.00 1.12 0.00 0.00 29.99 30.15 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2akl s ASP 93 N -1.96 5.84 -0.20 0.41 1.01 -1.26 -4.07 116.67 116.43 2akl s ASP 93 Ca 0.54 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.76 2akl s ASP 93 Cb 0.45 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2akl s ASP 93 CO -0.23 -0.61 -0.11 -0.63 0.21 0.00 0.00 175.17 173.80 2akl s ILE 94 N -2.37 2.79 -0.08 0.77 1.01 -0.97 -2.95 121.20 119.40 2akl s ILE 94 Ca 0.48 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 2akl s ILE 94 Cb -0.10 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 2akl s ILE 94 CO 0.34 0.47 0.33 -0.62 0.00 0.00 0.00 174.94 175.46 2akl s ASP 95 N 1.39 6.60 0.03 3.58 -1.08 0.05 -1.62 116.67 125.63 2akl s ASP 95 Ca 0.05 0.72 -0.05 0.00 -0.52 0.00 0.00 52.55 52.75 2akl s ASP 95 Cb -0.14 -2.20 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2akl s ASP 95 CO -0.08 0.24 0.08 0.00 0.52 0.00 0.00 175.17 175.93 2akl s LYS 97 N -2.33 3.52 -0.18 0.00 -0.14 -1.26 -1.01 119.74 118.34 2akl s LYS 97 Ca -0.07 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 2akl s LYS 97 Cb -0.03 -2.95 0.04 0.00 -1.68 0.00 0.00 37.83 33.21 2akl s LYS 97 CO -0.03 0.04 -0.09 0.42 -0.76 0.00 0.00 175.35 174.92 2akl s ILE 98 N 0.89 1.43 -0.55 2.17 1.01 0.07 -4.96 121.20 121.27 2akl s ILE 98 Ca -0.01 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 2akl s ILE 98 Cb -0.15 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2akl s ILE 98 CO 0.01 0.19 1.54 -1.81 0.00 0.00 0.00 174.94 174.88 2akl s ASP 99 N 1.50 5.93 0.00 3.58 1.11 -1.26 -1.35 116.67 126.17 2akl s ASP 99 Ca 0.00 0.40 0.00 0.00 0.18 0.00 0.00 52.55 53.13 2akl s ASP 99 Cb -0.15 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2akl s ASP 99 CO -0.08 -1.85 0.00 0.61 1.18 0.00 0.00 175.17 175.03 2akl n GLY 100 N 5.37 2.42 0.00 0.21 0.00 -1.26 -4.93 105.19 107.00 2akl n GLY 100 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2akl n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2akl n ILE 101 N 0.00 0.00 0.00 -0.61 -5.35 -1.19 -5.16 119.36 107.05 2akl n ILE 101 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2akl n ILE 101 Cb 0.00 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 2akl n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2akl n GLY 102 N 2.86 0.72 3.80 3.28 0.00 -0.46 -5.05 105.19 110.34 2akl n GLY 102 Ca 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2akl n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl s ALA 103 N -1.09 3.27 0.07 4.61 0.00 -1.26 -0.75 121.76 126.62 2akl s ALA 103 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2akl s ALA 103 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2akl s ALA 103 CO 0.00 0.23 -0.07 1.41 0.00 0.00 0.00 175.76 177.34 2akl s MET 104 N -2.18 0.71 -0.17 0.00 0.00 -0.18 -4.92 119.30 112.56 2akl s MET 104 Ca 0.49 -1.13 -0.04 0.00 0.00 0.00 0.00 55.69 55.01 2akl s MET 104 Cb -0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 34.83 34.45 2akl s MET 104 CO 0.21 -0.01 -0.02 -1.59 0.00 0.00 0.00 175.02 173.62 2akl s LYS 105 N -3.08 3.67 -0.03 4.11 0.00 -1.26 -1.89 119.74 121.26 2akl s LYS 105 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 55.97 55.55 2akl s LYS 105 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 37.83 34.83 2akl s LYS 105 CO -0.04 0.18 -0.17 -0.51 0.00 0.00 0.00 175.35 174.82 2akl s LEU 106 N 0.53 2.61 -0.36 2.77 1.43 -0.64 -4.97 118.68 120.06 2akl s LEU 106 Ca -0.02 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2akl s LEU 106 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2akl s LEU 106 CO 0.02 0.32 1.17 -0.54 0.23 0.00 0.00 176.35 177.55 2akl s LYS 107 N -0.85 3.91 0.32 1.70 -0.14 -1.26 -2.29 119.74 121.13 2akl s LYS 107 Ca 0.12 0.97 0.07 0.00 -1.36 0.00 0.00 55.97 55.77 2akl s LYS 107 Cb -0.10 -3.83 0.77 0.00 -1.68 0.00 0.00 37.83 32.98 2akl s LYS 107 CO 0.01 -1.13 1.81 0.66 -0.76 0.00 0.00 175.35 175.95 2akl h SER 108 N 8.84 0.74 0.01 2.83 4.64 -1.85 0.33 113.55 129.08 2akl h SER 108 Ca -0.23 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2akl h SER 108 Cb 1.07 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2akl h SER 108 CO 1.06 0.31 0.00 -0.33 -0.87 0.00 0.00 176.83 177.01 2akl h GLU 109 N 0.75 0.00 -0.10 4.77 5.08 -1.88 -1.23 114.58 121.97 2akl h GLU 109 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2akl h GLU 109 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2akl h GLU 109 CO -0.30 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 178.90 2akl n PHE 110 N -2.31 0.12 -4.62 4.33 3.72 0.11 -4.42 117.46 114.39 2akl n PHE 110 Ca -0.02 -0.24 -0.29 0.00 -0.05 0.00 0.00 57.45 56.85 2akl n PHE 110 Cb 0.04 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 2akl n PHE 110 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2akl s VAL 111 N -0.75 0.76 -0.08 -4.37 -7.23 -0.54 -1.16 120.40 107.03 2akl s VAL 111 Ca 0.10 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2akl s VAL 111 Cb 0.06 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2akl s VAL 111 CO 0.08 0.00 0.21 -0.60 -0.31 0.00 0.00 175.10 174.48 2akl s ARG 112 N -3.76 0.23 -0.03 4.82 3.52 0.56 -2.35 118.95 121.94 2akl s ARG 112 Ca 0.15 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 2akl s ARG 112 Cb 0.01 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2akl s ARG 112 CO 0.09 -0.06 1.29 0.21 -0.81 0.00 0.00 175.30 176.03 2akl s LYS 113 N 0.36 4.32 -0.11 5.12 2.20 -1.26 0.31 119.74 130.67 2akl s LYS 113 Ca -0.02 1.80 -0.06 0.00 -0.36 0.00 0.00 55.97 57.33 2akl s LYS 113 Cb -0.03 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2akl s LYS 113 CO -0.02 -0.51 -0.12 0.28 -0.36 0.00 0.00 175.35 174.62 2akl h VAL 114 N 4.99 0.00 -0.78 4.02 2.07 -1.38 -3.47 116.25 121.70 2akl h VAL 114 Ca -0.36 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2akl h VAL 114 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2akl h VAL 114 CO 0.89 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.09 2akl n GLY 115 N 1.67 0.95 0.15 2.17 0.00 -1.23 -5.03 105.19 103.88 2akl n GLY 115 Ca -0.05 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.62 2akl n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06