#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl n VAL 2 N 0.00 0.01 -2.76 1.12 3.14 -1.26 -4.77 118.33 113.81 2akl n VAL 2 Ca 0.00 -0.25 -0.43 0.00 -2.96 0.00 0.00 64.34 60.70 2akl n VAL 2 Cb 0.00 0.48 -0.01 0.00 -1.06 0.00 0.00 33.84 33.25 2akl n VAL 2 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2akl s SER 3 N -3.78 6.84 -0.01 6.55 0.01 -1.26 -4.58 113.70 117.48 2akl s SER 3 Ca 0.00 -2.44 0.13 0.00 1.31 0.00 0.00 55.95 54.95 2akl s SER 3 Cb 0.15 -2.49 -0.16 0.00 0.21 0.00 0.00 66.02 63.73 2akl s SER 3 CO 0.89 -1.05 0.47 0.35 0.41 0.00 0.00 173.24 174.30 2akl n THR 4 N 5.70 0.00 -4.20 1.44 -2.24 -1.26 -4.99 114.28 108.73 2akl n THR 4 Ca 0.39 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.69 2akl n THR 4 Cb 0.46 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 2akl n THR 4 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2akl s LEU 5 N -3.00 3.42 0.72 3.22 1.43 -1.26 -5.12 118.68 118.09 2akl s LEU 5 Ca 0.02 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2akl s LEU 5 Cb 0.09 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.33 2akl s LEU 5 CO 0.53 0.04 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 2akl s PRO 6 N -3.31 2.55 0.21 1.29 0.04 -1.26 -5.05 135.00 129.46 2akl s PRO 6 Ca 0.30 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 2akl s PRO 6 Cb -0.08 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2akl s PRO 6 CO 0.20 -1.42 0.19 -2.30 0.04 0.00 0.00 177.00 173.71 2akl n PRO 7 N -3.08 -1.33 -3.58 0.56 -0.02 -1.26 -4.74 135.00 121.55 2akl n PRO 7 Ca 0.09 -0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 60.90 2akl n PRO 7 Cb 0.53 -0.27 -0.10 0.00 -0.02 0.00 0.00 33.50 33.63 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 4.79 0.39 -0.04 0.00 -0.04 -1.26 -0.01 135.00 138.84 2akl n PRO 9 Ca -0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.27 2akl n PRO 9 Cb 0.52 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.63 0.32 0.00 0.54 7.27 -1.26 -4.91 117.38 118.72 2akl n GLN 10 Ca 0.02 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2akl n GLN 10 Cb 0.01 -1.16 0.00 0.00 2.41 0.00 0.00 30.24 31.50 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 -1.88 -0.76 0.00 0.00 5.15 0.99 -4.93 115.26 113.84 2akl n ASN 12 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2akl n ASN 12 Cb 0.35 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 2akl n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2akl n SER 13 N -0.07 0.00 0.00 1.20 7.64 -1.26 -4.62 113.62 116.51 2akl n SER 13 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2akl n SER 13 Cb 0.03 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2akl n SER 13 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2akl n GLU 14 N -0.91 0.00 -0.40 1.43 0.28 -1.26 -5.02 120.64 114.76 2akl n GLU 14 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2akl n GLU 14 Cb 0.00 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.06 2akl n GLU 14 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2akl n TYR 15 N 0.00 0.25 -3.43 -1.84 4.01 -1.26 -4.97 117.16 109.92 2akl n TYR 15 Ca 0.00 -1.25 -0.37 0.00 -0.16 0.00 0.00 57.90 56.11 2akl n TYR 15 Cb 0.00 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 38.72 2akl n TYR 15 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2akl s THR 16 N -3.06 5.19 0.24 -0.72 -4.23 -1.26 -3.57 115.64 108.23 2akl s THR 16 Ca 0.37 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.63 2akl s THR 16 Cb 0.34 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 2akl s THR 16 CO -0.00 0.40 0.29 -0.72 -0.54 0.00 0.00 174.62 174.05 2akl s TYR 17 N 0.18 0.90 -0.31 3.99 1.13 -1.11 -4.95 117.35 117.18 2akl s TYR 17 Ca 0.22 -1.16 -0.11 0.00 -1.41 0.00 0.00 57.07 54.61 2akl s TYR 17 Cb -0.15 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2akl s TYR 17 CO 0.09 -0.82 0.20 -1.83 -2.51 0.00 0.00 175.55 170.68 2akl s GLU 18 N -3.97 3.67 -0.73 -3.49 1.03 -1.26 -1.37 118.70 112.57 2akl s GLU 18 Ca 0.32 -0.51 0.04 0.00 0.03 0.00 0.00 54.97 54.85 2akl s GLU 18 Cb 0.03 -3.70 0.26 0.00 -0.80 0.00 0.00 34.13 29.93 2akl s GLU 18 CO 0.13 -0.32 0.91 -3.47 -1.33 0.00 0.00 175.26 171.18 2akl n ASP 19 N 5.06 4.36 0.00 0.83 2.03 -1.14 -4.98 116.55 122.71 2akl n ASP 19 Ca -0.14 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.73 2akl n ASP 19 Cb 0.51 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.94 0.92 1.18 0.27 0.00 -1.26 -4.41 105.19 102.83 2akl n GLY 20 Ca 0.29 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 1.55 3.18 -3.45 4.61 0.00 -1.26 -4.98 120.51 120.16 2akl n ALA 21 Ca 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 53.44 51.32 2akl n ALA 21 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.03 0.00 -4.46 0.00 -0.00 -1.26 -4.96 117.00 106.28 2akl n LEU 22 Ca 0.23 -1.34 -0.33 0.00 -0.00 0.00 0.00 56.01 54.57 2akl n LEU 22 Cb 0.94 1.61 -0.13 0.00 -0.00 0.00 0.00 43.42 45.84 2akl n LEU 22 CO 0.20 -0.38 -0.44 -0.76 -0.00 0.00 0.00 177.39 176.01 2akl s LEU 23 N 0.00 2.81 -0.04 1.47 1.43 -0.35 -2.89 118.68 121.10 2akl s LEU 23 Ca 0.11 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2akl s LEU 23 Cb -0.02 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 2akl s LEU 23 CO 0.08 0.30 -0.24 -0.69 0.23 0.00 0.00 176.35 176.03 2akl s VAL 24 N -0.43 1.92 -0.45 -1.59 1.01 -0.47 -0.70 120.40 119.69 2akl s VAL 24 Ca 0.05 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2akl s VAL 24 Cb -0.12 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.71 2akl s VAL 24 CO 0.02 0.54 0.34 0.00 0.00 0.00 0.00 175.10 176.00 2akl h PRO 26 N 8.62 0.00 0.50 0.00 0.13 -1.85 -1.43 132.00 137.96 2akl h PRO 26 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2akl h PRO 26 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2akl h PRO 26 CO 0.83 0.04 -0.24 1.49 -0.23 0.00 0.00 178.00 179.90 2akl h GLU 27 N 0.00 -0.64 0.00 0.86 4.81 -1.92 -3.21 114.58 114.48 2akl h GLU 27 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2akl h GLU 27 Cb 0.12 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2akl h GLU 27 CO 0.01 -0.38 0.00 0.00 -0.73 0.00 0.00 179.01 177.91 2akl n ALA 29 N -1.46 -1.27 -3.37 0.00 0.00 -0.56 -5.00 120.51 108.85 2akl n ALA 29 Ca 0.07 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 2akl n ALA 29 Cb 0.25 -5.20 -0.11 0.00 0.00 0.00 0.00 19.45 14.39 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 -3.30 -0.40 0.50 0.00 5.04 -1.09 -5.04 115.29 111.00 2akl s HIS 30 Ca 0.58 0.94 0.08 0.00 -1.54 0.00 0.00 55.06 55.11 2akl s HIS 30 Cb -0.26 0.14 0.04 0.00 0.04 0.00 0.00 32.58 32.53 2akl s HIS 30 CO 0.71 -0.21 0.57 -1.83 -2.34 0.00 0.00 174.74 171.64 2akl s GLU 31 N 0.53 2.46 0.03 2.88 4.04 -1.26 -2.03 118.70 125.34 2akl s GLU 31 Ca -0.03 -1.61 -0.28 0.00 0.04 0.00 0.00 54.97 53.09 2akl s GLU 31 Cb -0.04 -2.49 0.09 0.00 0.02 0.00 0.00 34.13 31.71 2akl s GLU 31 CO -0.03 -0.53 0.90 1.67 -1.84 0.00 0.00 175.26 175.43 2akl s TRP 32 N -2.58 -0.31 -0.13 4.83 1.48 0.13 -4.93 118.94 117.43 2akl s TRP 32 Ca 0.51 0.14 -0.04 0.00 -1.06 0.00 0.00 56.10 55.66 2akl s TRP 32 Cb -0.05 0.56 -0.03 0.00 -1.16 0.00 0.00 33.47 32.78 2akl s TRP 32 CO 0.31 -0.60 0.02 0.45 -4.06 0.00 0.00 176.95 173.07 2akl s SER 33 N -2.58 5.30 0.10 -2.66 0.15 -1.26 -1.21 113.70 111.54 2akl s SER 33 Ca 0.06 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.54 2akl s SER 33 Cb -0.01 -1.70 -0.13 0.00 -1.71 0.00 0.00 66.02 62.47 2akl s SER 33 CO -0.07 0.28 1.69 1.55 1.20 0.00 0.00 173.24 177.89 2akl h PRO 34 N 5.89 -0.27 0.00 5.44 0.13 -1.93 -3.24 132.00 138.02 2akl h PRO 34 Ca -0.43 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2akl h PRO 34 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2akl h PRO 34 CO 0.61 -0.18 -0.90 0.09 -0.23 0.00 0.00 178.00 177.38 2akl n ASN 35 N -5.25 4.50 0.08 1.44 5.03 -1.26 -4.68 115.26 115.13 2akl n ASN 35 Ca -0.08 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.50 2akl n ASN 35 Cb 0.17 0.88 0.40 0.00 -1.02 0.00 0.00 39.78 40.20 2akl n ASN 35 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2akl n GLU 36 N -1.38 0.23 0.23 3.52 -0.58 -1.26 -3.94 120.64 117.45 2akl n GLU 36 Ca 0.00 0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.75 2akl n GLU 36 Cb 0.03 -1.74 -0.08 0.00 -0.57 0.00 0.00 31.44 29.07 2akl n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2akl h ALA 37 N 2.59 -0.57 0.41 0.62 0.00 -1.83 -3.20 119.26 117.27 2akl h ALA 37 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2akl h ALA 37 Cb 0.70 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2akl h ALA 37 CO 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 179.25 178.22 2akl h ALA 38 N 0.02 -0.55 -3.20 0.00 0.00 -1.86 -3.44 119.26 110.23 2akl h ALA 38 Ca -0.04 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 2akl h ALA 38 Cb 0.48 0.21 -0.37 0.00 0.00 0.00 0.00 17.79 18.11 2akl h ALA 38 CO 0.04 -0.60 -0.67 0.95 0.00 0.00 0.00 179.25 178.97 2akl s THR 39 N -4.29 -0.19 -0.10 0.00 -4.23 -1.24 -4.99 115.64 100.61 2akl s THR 39 Ca -0.13 0.36 0.23 0.00 -1.18 0.00 0.00 61.69 60.98 2akl s THR 39 Cb 0.02 -0.23 0.45 0.00 1.34 0.00 0.00 72.50 74.07 2akl s THR 39 CO 0.46 0.15 1.16 0.00 -0.54 0.00 0.00 174.62 175.85 2akl n ALA 40 N 5.19 2.64 -2.09 3.99 0.00 -1.21 -4.47 120.51 124.56 2akl n ALA 40 Ca -0.07 -2.60 -0.40 0.00 0.00 0.00 0.00 53.44 50.37 2akl n ALA 40 Cb 0.50 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 2akl n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2akl s SER 41 N -2.64 5.62 0.00 0.00 0.01 -1.26 -4.69 113.70 110.74 2akl s SER 41 Ca 0.33 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2akl s SER 41 Cb 0.37 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2akl s SER 41 CO -0.12 -2.05 0.68 -0.67 0.41 0.00 0.00 173.24 171.49 2akl n ASP 42 N 11.42 1.34 -2.39 2.44 2.03 -1.26 -5.05 116.55 125.08 2akl n ASP 42 Ca 0.20 -1.40 -0.01 0.00 0.52 0.00 0.00 54.79 54.10 2akl n ASP 42 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.20 -4.67 -0.35 1.67 -0.08 -1.26 -4.97 116.55 106.69 2akl n ASP 43 Ca 0.00 1.07 0.11 0.00 -1.51 0.00 0.00 54.79 54.46 2akl n ASP 43 Cb 0.12 -4.27 0.05 0.00 2.34 0.00 0.00 41.12 39.36 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2akl n GLY 44 N 0.78 -0.30 0.24 0.27 0.00 -1.26 -4.27 105.19 100.64 2akl n GLY 44 Ca -0.11 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.46 2akl n GLY 44 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2akl h LYS 45 N 1.72 0.00 -5.87 1.61 2.10 -1.89 -3.36 116.57 110.87 2akl h LYS 45 Ca 0.00 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 2akl h LYS 45 Cb 0.66 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.92 2akl h LYS 45 CO 0.00 0.08 0.37 0.08 -2.00 0.00 0.00 179.45 177.98 2akl s VAL 46 N -3.46 4.89 0.21 0.07 1.01 -1.26 -4.63 120.40 117.23 2akl s VAL 46 Ca 0.03 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2akl s VAL 46 Cb 0.08 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2akl s VAL 46 CO 0.62 0.01 0.89 -0.63 0.00 0.00 0.00 175.10 175.99 2akl s ILE 47 N 2.29 4.17 0.50 2.22 -1.09 -1.26 -5.00 121.20 123.03 2akl s ILE 47 Ca 0.36 1.97 0.04 0.00 -2.23 0.00 0.00 60.65 60.79 2akl s ILE 47 Cb -0.16 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.44 2akl s ILE 47 CO 0.11 0.50 0.19 -0.75 -1.23 0.00 0.00 174.94 173.76 2akl s LYS 48 N -1.14 2.22 0.45 2.79 2.20 -1.26 -2.87 119.74 122.12 2akl s LYS 48 Ca 0.39 -2.12 0.07 0.00 -0.36 0.00 0.00 55.97 53.95 2akl s LYS 48 Cb -0.25 -1.85 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 2akl s LYS 48 CO 0.30 -0.39 0.26 -0.51 -0.36 0.00 0.00 175.35 174.65 2akl s ASP 49 N -4.03 4.57 0.00 1.43 1.01 0.12 -4.64 116.67 115.14 2akl s ASP 49 Ca 0.25 -1.09 0.22 0.00 0.71 0.00 0.00 52.55 52.64 2akl s ASP 49 Cb 0.01 -0.24 0.99 0.00 1.01 0.00 0.00 42.92 44.69 2akl s ASP 49 CO 0.15 -0.71 1.70 -1.54 0.21 0.00 0.00 175.17 174.98 2akl n SER 50 N -1.41 0.00 0.01 0.27 3.41 -0.75 -2.77 113.62 112.38 2akl n SER 50 Ca -0.01 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 2akl n SER 50 Cb 0.64 -0.42 0.25 0.00 -0.26 0.00 0.00 64.21 64.42 2akl n SER 50 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2akl n VAL 51 N -1.42 0.08 -0.16 -3.33 0.31 -1.26 -4.91 118.33 107.64 2akl n VAL 51 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2akl n VAL 51 Cb 0.22 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 2akl n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 52 N 1.46 0.62 3.95 2.92 0.00 -1.11 -5.06 105.19 107.97 2akl n GLY 52 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 5.57 -0.04 1.61 4.22 -1.26 -4.87 114.94 117.32 2akl s ASN 53 Ca 0.00 0.29 0.06 0.00 -2.14 0.00 0.00 52.86 51.07 2akl s ASN 53 Cb 0.00 -1.35 -0.02 0.00 1.28 0.00 0.00 41.25 41.16 2akl s ASN 53 CO 0.00 -0.95 -0.20 -0.69 -2.04 0.00 0.00 177.10 173.22 2akl s VAL 54 N -2.73 2.56 0.57 3.54 1.01 -1.26 -0.70 120.40 123.39 2akl s VAL 54 Ca 0.53 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2akl s VAL 54 Cb -0.10 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.38 2akl s VAL 54 CO 0.40 0.58 0.80 -0.76 0.00 0.00 0.00 175.10 176.12 2akl s LEU 55 N -0.65 3.24 0.08 3.92 1.43 -1.14 -4.98 118.68 120.59 2akl s LEU 55 Ca 0.10 -0.27 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2akl s LEU 55 Cb -0.10 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2akl s LEU 55 CO -0.00 -1.28 -0.16 -1.58 0.23 0.00 0.00 176.35 173.56 2akl s GLN 56 N -4.78 0.90 -0.73 1.70 0.74 -1.26 -4.86 119.66 111.38 2akl s GLN 56 Ca 0.60 -1.03 -0.26 0.00 0.05 0.00 0.00 55.36 54.72 2akl s GLN 56 Cb -0.08 -0.95 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 2akl s GLN 56 CO 0.39 0.21 1.90 0.34 -0.55 0.00 0.00 175.29 177.58 2akl s ASP 57 N -1.85 5.21 0.00 6.67 2.15 -1.26 -1.12 116.67 126.47 2akl s ASP 57 Ca 0.01 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2akl s ASP 57 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2akl s ASP 57 CO 0.03 -2.53 0.00 0.61 -0.17 0.00 0.00 175.17 173.11 2akl n GLY 58 N 6.16 1.11 3.69 2.66 0.00 -0.22 -4.89 105.19 113.69 2akl n GLY 58 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.20 1.83 -0.12 1.61 -1.08 -0.28 -2.57 116.67 114.86 2akl s ASP 59 Ca 0.00 0.68 -0.04 0.00 -0.52 0.00 0.00 52.55 52.67 2akl s ASP 59 Cb 0.00 -0.99 -0.04 0.00 -1.46 0.00 0.00 42.92 40.44 2akl s ASP 59 CO 0.00 -3.57 0.03 -0.89 0.52 0.00 0.00 175.17 171.26 2akl s THR 60 N -3.19 4.55 0.30 1.71 2.01 -1.26 -0.09 115.64 119.67 2akl s THR 60 Ca 0.70 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.63 2akl s THR 60 Cb -0.11 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 2akl s THR 60 CO 0.55 0.57 -0.08 0.27 -0.69 0.00 0.00 174.62 175.24 2akl s ILE 61 N -0.56 1.91 -0.14 1.82 -5.25 0.49 -1.14 121.20 118.33 2akl s ILE 61 Ca 0.10 -2.17 -0.06 0.00 -0.99 0.00 0.00 60.65 57.53 2akl s ILE 61 Cb -0.12 -2.50 0.06 0.00 2.95 0.00 0.00 42.46 42.85 2akl s ILE 61 CO 0.02 -0.28 0.31 -0.89 -1.79 0.00 0.00 174.94 172.32 2akl s THR 62 N -2.84 -0.27 0.04 8.37 2.01 0.13 -1.85 115.64 121.24 2akl s THR 62 Ca 0.30 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 62 Cb 0.03 -0.49 -0.07 0.00 0.01 0.00 0.00 72.50 71.97 2akl s THR 62 CO 0.14 0.08 1.58 0.54 -0.69 0.00 0.00 174.62 176.26 2akl s VAL 63 N 1.91 3.28 -0.84 3.82 0.11 -1.16 -0.55 120.40 126.97 2akl s VAL 63 Ca -0.04 0.69 0.13 0.00 -2.93 0.00 0.00 61.98 59.82 2akl s VAL 63 Cb -0.11 -3.44 0.63 0.00 -1.53 0.00 0.00 36.38 31.93 2akl s VAL 63 CO -0.10 -0.01 1.50 2.30 -3.33 0.00 0.00 175.10 175.46 2akl n ILE 64 N 4.75 1.84 -4.04 7.04 -0.00 -0.84 -0.17 119.36 127.95 2akl n ILE 64 Ca 0.15 -1.04 -0.09 0.00 -0.00 0.00 0.00 62.75 61.77 2akl n ILE 64 Cb 0.42 -0.12 -0.09 0.00 -0.00 0.00 0.00 39.64 39.85 2akl n ILE 64 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2akl s LYS 65 N -2.09 0.94 -0.33 6.28 1.02 -1.26 -4.79 119.74 119.52 2akl s LYS 65 Ca 0.43 -1.25 -0.26 0.00 0.02 0.00 0.00 55.97 54.91 2akl s LYS 65 Cb 0.30 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.92 2akl s LYS 65 CO 0.17 -0.29 0.93 0.16 -0.92 0.00 0.00 175.35 175.39 2akl s ASP 66 N -2.97 6.75 0.02 2.83 -4.77 -1.26 -2.69 116.67 114.58 2akl s ASP 66 Ca 0.16 0.75 0.05 0.00 -3.30 0.00 0.00 52.55 50.21 2akl s ASP 66 Cb 0.06 -2.47 -0.02 0.00 -1.09 0.00 0.00 42.92 39.40 2akl s ASP 66 CO -0.02 -0.78 -0.15 -0.76 0.70 0.00 0.00 175.17 174.15 2akl s LEU 67 N 3.36 2.13 0.73 2.11 1.43 0.15 -5.02 118.68 123.56 2akl s LEU 67 Ca 0.38 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2akl s LEU 67 Cb -0.13 -0.68 0.13 0.00 0.03 0.00 0.00 46.19 45.54 2akl s LEU 67 CO 0.16 0.09 1.01 -1.59 0.23 0.00 0.00 176.35 176.24 2akl s LYS 68 N -0.90 1.62 -0.06 1.70 -2.85 -1.26 0.59 119.74 118.58 2akl s LYS 68 Ca 0.03 -1.14 0.02 0.00 -1.00 0.00 0.00 55.97 53.88 2akl s LYS 68 Cb -0.07 -2.32 0.01 0.00 -2.06 0.00 0.00 37.83 33.39 2akl s LYS 68 CO 0.01 -1.50 -0.12 0.08 0.10 0.00 0.00 175.35 173.92 2akl s VAL 69 N -3.16 1.09 -0.09 1.79 1.01 -1.25 -4.58 120.40 115.21 2akl s VAL 69 Ca 0.67 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 2akl s VAL 69 Cb -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2akl s VAL 69 CO 0.45 0.34 0.11 0.50 0.00 0.00 0.00 175.10 176.50 2akl h LYS 70 N 6.93 -0.09 -1.35 2.72 1.63 -2.00 -3.35 116.57 121.06 2akl h LYS 70 Ca -0.31 0.01 -0.34 0.00 -0.85 0.00 0.00 60.65 59.15 2akl h LYS 70 Cb 1.18 0.02 -0.16 0.00 -0.60 0.00 0.00 32.23 32.68 2akl h LYS 70 CO 0.48 -0.06 0.44 0.41 -3.45 0.00 0.00 179.45 177.27 2akl n GLY 71 N 1.54 4.08 3.30 5.01 0.00 -1.26 -4.85 105.19 113.00 2akl n GLY 71 Ca -0.01 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2akl n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2akl s SER 72 N -0.09 0.11 0.00 1.61 0.01 -1.26 -4.99 113.70 109.09 2akl s SER 72 Ca 0.34 -1.07 0.24 0.00 1.31 0.00 0.00 55.95 56.77 2akl s SER 72 Cb 0.27 0.41 0.55 0.00 0.21 0.00 0.00 66.02 67.46 2akl s SER 72 CO 0.01 -0.87 1.46 -1.54 0.41 0.00 0.00 173.24 172.71 2akl n SER 73 N -0.22 2.57 -4.35 2.44 3.41 -1.26 -4.87 113.62 111.34 2akl n SER 73 Ca -0.04 -1.84 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 2akl n SER 73 Cb 0.64 -0.11 0.16 0.00 -0.26 0.00 0.00 64.21 64.64 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2akl s LEU 74 N -1.71 2.41 -0.29 1.04 1.02 -1.26 -5.06 118.68 114.84 2akl s LEU 74 Ca 0.34 0.49 -0.07 0.00 0.02 0.00 0.00 54.13 54.92 2akl s LEU 74 Cb 0.20 -2.64 0.14 0.00 0.02 0.00 0.00 46.19 43.91 2akl s LEU 74 CO 0.30 -2.64 0.60 -0.69 0.02 0.00 0.00 176.35 173.94 2akl s VAL 75 N -3.68 -0.94 -0.71 -1.59 1.01 -1.26 -3.77 120.40 109.46 2akl s VAL 75 Ca 0.70 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2akl s VAL 75 Cb -0.07 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.43 2akl s VAL 75 CO 0.52 0.00 1.02 -0.69 0.00 0.00 0.00 175.10 175.96 2akl s VAL 76 N 2.84 4.31 -0.01 2.92 1.01 0.20 -4.98 120.40 126.69 2akl s VAL 76 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2akl s VAL 76 Cb -0.13 -4.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 2akl s VAL 76 CO -0.19 -1.51 0.05 -1.59 0.00 0.00 0.00 175.10 171.86 2akl s LYS 77 N 4.08 2.95 -0.80 2.72 0.00 -1.26 0.31 119.74 127.74 2akl s LYS 77 Ca 0.25 -0.53 -0.27 0.00 0.00 0.00 0.00 55.97 55.41 2akl s LYS 77 Cb -0.14 -2.78 -0.17 0.00 0.00 0.00 0.00 37.83 34.74 2akl s LYS 77 CO 0.08 0.64 2.54 1.55 0.00 0.00 0.00 175.35 180.16 2akl n VAL 78 N 1.29 -0.03 0.00 1.79 3.14 -1.10 -0.05 118.33 123.37 2akl n VAL 78 Ca -0.14 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 2akl n VAL 78 Cb 0.53 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 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 6.26 0.23 3.57 7.55 0.00 0.76 -4.94 105.19 118.61 2akl n GLY 79 Ca 0.54 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.08 3.11 -0.35 2.61 2.01 0.93 -4.86 115.64 118.02 2akl s THR 80 Ca 0.00 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 2akl s THR 80 Cb 0.00 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 2akl s THR 80 CO 0.00 -0.18 0.46 -0.75 -0.69 0.00 0.00 174.62 173.46 2akl s LYS 81 N 7.18 3.60 -0.12 4.92 2.36 -1.26 -2.96 119.74 133.45 2akl s LYS 81 Ca 0.92 -0.24 -0.01 0.00 -2.55 0.00 0.00 55.97 54.09 2akl s LYS 81 Cb -0.22 -3.81 0.04 0.00 -1.05 0.00 0.00 37.83 32.79 2akl s LYS 81 CO 0.29 -0.61 -0.03 0.08 1.55 0.00 0.00 175.35 176.64 2akl s VAL 82 N 2.27 0.75 0.41 4.02 1.01 -0.77 -5.00 120.40 123.09 2akl s VAL 82 Ca 0.16 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2akl s VAL 82 Cb -0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2akl s VAL 82 CO 0.13 0.19 0.34 -1.59 0.00 0.00 0.00 175.10 174.16 2akl s LYS 83 N 1.80 2.50 -0.79 2.72 -2.85 -1.26 -0.38 119.74 121.48 2akl s LYS 83 Ca 0.03 -1.57 -0.03 0.00 -1.00 0.00 0.00 55.97 53.40 2akl s LYS 83 Cb -0.14 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.31 2akl s LYS 83 CO -0.07 -0.16 0.38 -1.71 0.10 0.00 0.00 175.35 173.88 2akl n ASN 84 N -1.49 -4.01 -3.76 0.03 4.05 0.87 -4.03 115.26 106.93 2akl n ASN 84 Ca 0.03 -0.18 -0.30 0.00 0.45 0.00 0.00 54.58 54.58 2akl n ASN 84 Cb 0.62 -2.84 0.28 0.00 1.23 0.00 0.00 39.78 39.07 2akl n ASN 84 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2akl s ILE 85 N -2.93 1.44 -0.09 -1.44 -4.36 -1.04 -4.35 121.20 108.43 2akl s ILE 85 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.58 2akl s ILE 85 Cb -0.08 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.61 2akl s ILE 85 CO 0.23 0.00 -0.06 -0.60 0.24 0.00 0.00 174.94 174.75 2akl s ARG 86 N -4.84 1.28 -0.44 0.37 6.06 0.28 -1.06 118.95 120.60 2akl s ARG 86 Ca 0.69 -0.19 -0.29 0.00 -2.50 0.00 0.00 55.73 53.44 2akl s ARG 86 Cb -0.17 -1.33 0.01 0.00 0.06 0.00 0.00 34.95 33.52 2akl s ARG 86 CO 0.60 -0.20 1.41 -0.51 -2.50 0.00 0.00 175.30 174.11 2akl s LEU 87 N 1.47 3.55 0.74 -0.88 1.43 -1.26 -0.75 118.68 122.98 2akl s LEU 87 Ca -0.01 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2akl s LEU 87 Cb -0.13 -3.45 0.03 0.00 0.03 0.00 0.00 46.19 42.67 2akl s LEU 87 CO -0.04 -1.49 1.07 -0.69 0.23 0.00 0.00 176.35 175.43 2akl s VAL 88 N 5.58 3.66 0.00 -1.59 1.01 -1.23 -4.88 120.40 122.94 2akl s VAL 88 Ca 0.60 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2akl s VAL 88 Cb -0.13 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2akl s VAL 88 CO 0.31 -0.70 1.33 0.47 0.00 0.00 0.00 175.10 176.51 2akl n ASP 89 N -3.27 3.71 -3.85 3.32 9.92 -1.26 -4.67 116.55 120.45 2akl n ASP 89 Ca 0.08 -2.01 -0.16 0.00 -0.53 0.00 0.00 54.79 52.16 2akl n ASP 89 Cb 0.54 -0.72 -0.16 0.00 -0.64 0.00 0.00 41.12 40.14 2akl n ASP 89 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2akl s GLY 90 N 1.50 0.22 0.00 0.44 0.00 -1.26 -5.03 107.32 103.19 2akl s GLY 90 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 44.72 44.90 2akl s GLY 90 CO 0.00 0.39 1.23 2.09 0.00 0.00 0.00 173.10 176.81 2akl n ASP 91 N 3.80 0.00 -0.08 1.64 5.75 -1.26 -3.09 116.55 123.32 2akl n ASP 91 Ca -0.23 0.18 -0.14 0.00 -0.01 0.00 0.00 54.79 54.59 2akl n ASP 91 Cb 0.53 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 2akl n ASP 91 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2akl n HIS 92 N -1.31 0.00 -3.33 2.11 8.25 -1.26 -4.80 115.22 114.88 2akl n HIS 92 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 2akl n HIS 92 Cb 0.09 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 30.60 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 -6.01 6.50 -0.15 0.41 1.01 -1.18 -3.72 116.67 113.54 2akl s ASP 93 Ca -0.21 0.80 -0.03 0.00 0.71 0.00 0.00 52.55 53.82 2akl s ASP 93 Cb 0.07 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2akl s ASP 93 CO 0.30 -0.17 -0.06 -0.63 0.21 0.00 0.00 175.17 174.81 2akl s ILE 94 N -2.03 3.67 -0.13 0.77 1.01 -1.00 -3.51 121.20 119.98 2akl s ILE 94 Ca 0.45 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 2akl s ILE 94 Cb -0.11 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 2akl s ILE 94 CO 0.28 0.50 0.28 -0.62 0.00 0.00 0.00 174.94 175.38 2akl s ASP 95 N 0.39 6.47 0.01 3.58 -1.08 0.07 -1.39 116.67 124.72 2akl s ASP 95 Ca -0.06 0.56 0.01 0.00 -0.52 0.00 0.00 52.55 52.54 2akl s ASP 95 Cb -0.15 -2.17 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 2akl s ASP 95 CO 0.04 0.18 -0.04 0.00 0.52 0.00 0.00 175.17 175.86 2akl s LYS 97 N -0.81 3.18 0.17 0.00 1.02 -1.26 -1.32 119.74 120.72 2akl s LYS 97 Ca -0.07 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.31 2akl s LYS 97 Cb -0.06 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 2akl s LYS 97 CO -0.00 -1.10 0.17 0.42 -0.92 0.00 0.00 175.35 173.92 2akl s ILE 98 N 2.67 4.66 -0.19 2.17 1.01 0.20 -4.38 121.20 127.34 2akl s ILE 98 Ca 0.18 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 2akl s ILE 98 Cb -0.17 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 2akl s ILE 98 CO 0.15 -0.12 0.11 -0.62 0.00 0.00 0.00 174.94 174.46 2akl s ASP 99 N -3.19 6.05 0.00 3.58 -1.08 -1.26 -2.28 116.67 118.49 2akl s ASP 99 Ca 0.32 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 2akl s ASP 99 Cb -0.10 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 2akl s ASP 99 CO 0.25 0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.74 2akl n GLY 100 N 3.44 2.94 0.13 2.66 0.00 -1.26 -4.69 105.19 108.42 2akl n GLY 100 Ca -0.16 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 1.61 0.00 -0.61 -5.35 -1.26 -5.11 119.36 108.65 2akl n ILE 101 Ca 0.00 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2akl n ILE 101 Cb 0.00 -1.57 0.00 0.00 -1.74 0.00 0.00 39.64 36.33 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 2.12 0.18 3.96 3.28 0.00 -0.96 -5.05 105.19 108.72 2akl n GLY 102 Ca -0.40 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.65 3.91 0.20 4.61 0.00 -1.26 0.60 121.76 128.18 2akl s ALA 103 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 2akl s ALA 103 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2akl s ALA 103 CO 0.00 0.26 0.49 1.41 0.00 0.00 0.00 175.76 177.92 2akl s MET 104 N -3.92 1.39 -0.16 0.00 0.00 -0.44 -4.90 119.30 111.27 2akl s MET 104 Ca 0.34 -0.97 -0.01 0.00 0.00 0.00 0.00 55.69 55.05 2akl s MET 104 Cb -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 34.83 35.23 2akl s MET 104 CO 0.29 -0.58 -0.11 0.15 0.00 0.00 0.00 175.02 174.77 2akl s LYS 105 N -3.91 3.36 0.05 4.11 1.02 -1.26 -0.95 119.74 122.17 2akl s LYS 105 Ca 0.12 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 55.50 2akl s LYS 105 Cb -0.01 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2akl s LYS 105 CO -0.00 0.05 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.85 2akl s LEU 106 N 0.77 2.93 -0.07 3.17 1.43 -0.49 -4.92 118.68 121.51 2akl s LEU 106 Ca -0.04 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 2akl s LEU 106 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2akl s LEU 106 CO 0.01 0.23 1.15 -0.75 0.23 0.00 0.00 176.35 177.22 2akl s LYS 107 N -1.73 4.37 0.37 1.70 2.20 -1.26 -2.36 119.74 123.03 2akl s LYS 107 Ca 0.18 1.60 0.16 0.00 -0.36 0.00 0.00 55.97 57.54 2akl s LYS 107 Cb -0.11 -3.55 1.05 0.00 -1.51 0.00 0.00 37.83 33.71 2akl s LYS 107 CO 0.09 -0.41 1.74 1.03 -0.36 0.00 0.00 175.35 177.43 2akl h SER 108 N 7.36 0.52 0.41 1.43 0.87 -1.82 0.19 113.55 122.51 2akl h SER 108 Ca -0.33 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2akl h SER 108 Cb 1.16 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2akl h SER 108 CO 0.87 0.05 0.00 -1.84 -0.53 0.00 0.00 176.83 175.39 2akl n GLU 109 N -4.76 0.36 -0.09 2.24 0.28 -1.26 -2.13 120.64 115.28 2akl n GLU 109 Ca 0.27 0.06 0.04 0.00 -0.16 0.00 0.00 57.16 57.37 2akl n GLU 109 Cb 0.88 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 32.34 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2akl n PHE 110 N -1.27 0.23 -4.37 -1.84 3.72 0.67 -4.52 117.46 110.08 2akl n PHE 110 Ca 0.12 -0.37 -0.27 0.00 -0.05 0.00 0.00 57.45 56.87 2akl n PHE 110 Cb 0.18 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.90 1.99 -0.15 -4.37 -7.23 -1.12 -1.98 120.40 106.63 2akl s VAL 111 Ca 0.14 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 2akl s VAL 111 Cb 0.08 -2.82 0.05 0.00 0.56 0.00 0.00 36.38 34.25 2akl s VAL 111 CO 0.10 0.00 0.37 -0.60 -0.31 0.00 0.00 175.10 174.66 2akl s ARG 112 N -3.86 0.38 -0.09 4.82 3.52 0.28 -1.81 118.95 122.19 2akl s ARG 112 Ca 0.33 0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 56.28 2akl s ARG 112 Cb 0.05 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 2akl s ARG 112 CO 0.18 -0.12 1.48 0.21 -0.81 0.00 0.00 175.30 176.24 2akl s LYS 113 N 0.92 4.21 0.00 5.12 2.20 -1.26 0.20 119.74 131.13 2akl s LYS 113 Ca -0.06 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 2akl s LYS 113 Cb -0.06 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2akl s LYS 113 CO -0.07 -0.77 0.00 0.28 -0.36 0.00 0.00 175.35 174.43 2akl n VAL 114 N 5.38 0.00 0.00 4.02 0.31 -0.29 -4.91 118.33 122.84 2akl n VAL 114 Ca 0.16 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.98 2akl n VAL 114 Cb 0.44 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2akl n VAL 114 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 115 N 1.67 3.57 0.00 2.92 0.00 -1.13 -4.98 105.19 107.24 2akl n GLY 115 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76