#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 0.00 -2.25 3.17 3.14 -1.26 -5.09 118.33 116.04 2akl n VAL 2 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 2akl n VAL 2 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 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 0.00 5.66 -0.47 6.55 0.01 -1.26 -4.92 113.70 119.28 2akl s SER 3 Ca 0.00 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2akl s SER 3 Cb 0.00 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.80 2akl s SER 3 CO 0.00 -2.20 0.23 0.42 0.41 0.00 0.00 173.24 172.09 2akl s THR 4 N 7.88 2.94 0.34 1.44 -4.23 -1.26 -5.10 115.64 117.66 2akl s THR 4 Ca 0.57 -2.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2akl s THR 4 Cb -0.07 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 2akl s THR 4 CO 0.07 -0.73 0.51 -0.76 -0.54 0.00 0.00 174.62 173.17 2akl s LEU 5 N 0.46 4.00 0.78 4.79 1.43 -1.26 -5.09 118.68 123.79 2akl s LEU 5 Ca 0.13 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.32 2akl s LEU 5 Cb -0.22 -3.06 0.06 0.00 0.03 0.00 0.00 46.19 43.00 2akl s LEU 5 CO -0.04 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.12 2akl s PRO 6 N -4.26 2.18 0.31 1.29 0.04 -1.26 -5.06 135.00 128.24 2akl s PRO 6 Ca 0.41 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 2akl s PRO 6 Cb -0.10 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.64 2akl s PRO 6 CO 0.34 -1.71 0.26 -2.30 0.04 0.00 0.00 177.00 173.63 2akl n PRO 7 N -3.57 -1.73 -3.59 0.56 -0.02 -1.26 -4.90 135.00 120.49 2akl n PRO 7 Ca 0.09 -0.41 -0.37 0.00 -2.02 0.00 0.00 63.50 60.79 2akl n PRO 7 Cb 0.53 -0.41 -0.08 0.00 -0.02 0.00 0.00 33.50 33.52 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 4.04 0.53 -0.03 0.00 -0.04 -1.26 0.04 135.00 138.28 2akl n PRO 9 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 2akl n PRO 9 Cb 0.52 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 2akl n PRO 9 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2akl n GLN 10 N -0.66 0.39 -0.06 0.54 6.02 -1.26 -4.89 117.38 117.46 2akl n GLN 10 Ca 0.04 0.03 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 2akl n GLN 10 Cb 0.02 -1.12 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 2akl n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2akl n ASN 12 N -3.72 0.00 0.00 0.00 2.85 0.11 -4.94 115.26 109.56 2akl n ASN 12 Ca -0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 2akl n ASN 12 Cb 0.61 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.88 2akl n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2akl n SER 13 N 0.00 0.00 0.00 1.20 7.64 -1.26 -4.72 113.62 116.48 2akl n SER 13 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 2akl n SER 13 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.68 0.00 -0.30 1.43 0.28 -1.26 -5.01 120.64 115.10 2akl n GLU 14 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 2akl n GLU 14 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 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 0.34 -3.35 -1.84 4.01 -1.26 -4.81 117.16 110.26 2akl n TYR 15 Ca 0.00 -0.85 -0.38 0.00 -0.16 0.00 0.00 57.90 56.50 2akl n TYR 15 Cb 0.00 -0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2akl s THR 16 N -0.42 5.03 0.23 -0.72 2.01 -1.26 -3.91 115.64 116.60 2akl s THR 16 Ca 0.07 1.00 -0.07 0.00 0.31 0.00 0.00 61.69 63.00 2akl s THR 16 Cb 0.05 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2akl s THR 16 CO 0.01 0.45 0.31 -0.72 -0.69 0.00 0.00 174.62 173.98 2akl s TYR 17 N -0.27 0.76 -0.24 4.92 1.13 -1.15 -4.94 117.35 117.56 2akl s TYR 17 Ca 0.26 -1.05 -0.10 0.00 -1.41 0.00 0.00 57.07 54.77 2akl s TYR 17 Cb -0.17 -0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.47 2akl s TYR 17 CO 0.13 -0.83 0.15 -1.83 -2.51 0.00 0.00 175.55 170.67 2akl s GLU 18 N -4.07 3.99 -0.71 -3.49 -1.05 -1.26 -1.73 118.70 110.39 2akl s GLU 18 Ca 0.31 -0.31 0.05 0.00 -0.15 0.00 0.00 54.97 54.87 2akl s GLU 18 Cb 0.03 -3.51 0.17 0.00 -0.44 0.00 0.00 34.13 30.38 2akl s GLU 18 CO 0.11 0.00 0.50 -3.47 0.95 0.00 0.00 175.26 173.35 2akl n ASP 19 N 4.45 3.06 0.00 0.83 2.03 -1.15 -4.95 116.55 120.82 2akl n ASP 19 Ca -0.15 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 51.94 2akl n ASP 19 Cb 0.52 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 1.92 1.09 1.20 0.27 0.00 -1.26 -4.20 105.19 104.22 2akl n GLY 20 Ca 0.20 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 3.09 2.97 -3.49 4.61 0.00 -1.26 -4.98 120.51 121.45 2akl n ALA 21 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 53.44 51.63 2akl n ALA 21 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.40 0.00 -4.46 0.00 -0.00 -1.26 -5.00 117.00 106.68 2akl n LEU 22 Ca 0.22 -1.50 -0.34 0.00 -0.00 0.00 0.00 56.01 54.39 2akl n LEU 22 Cb 0.84 1.90 -0.13 0.00 -0.00 0.00 0.00 43.42 46.03 2akl n LEU 22 CO 0.19 -0.44 -0.37 -0.76 -0.00 0.00 0.00 177.39 176.01 2akl s LEU 23 N 0.00 3.14 -0.03 1.47 1.43 -0.59 -2.91 118.68 121.19 2akl s LEU 23 Ca 0.11 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2akl s LEU 23 Cb -0.02 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2akl s LEU 23 CO 0.08 0.15 -0.21 0.68 0.23 0.00 0.00 176.35 177.29 2akl s VAL 24 N 0.45 1.68 -0.39 -1.59 -7.23 -0.70 -0.31 120.40 112.31 2akl s VAL 24 Ca -0.05 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2akl s VAL 24 Cb -0.15 -1.41 0.08 0.00 0.56 0.00 0.00 36.38 35.47 2akl s VAL 24 CO 0.03 0.48 0.18 0.00 -0.31 0.00 0.00 175.10 175.48 2akl n PRO 26 N 4.74 0.01 -0.06 0.00 -0.04 -1.25 -0.30 135.00 138.10 2akl n PRO 26 Ca -0.08 0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 2akl n PRO 26 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.44 -0.07 0.54 4.81 -1.91 -3.30 114.58 115.10 2akl h GLU 27 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2akl h GLU 27 Cb 0.26 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2akl h GLU 27 CO 0.00 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 2akl n ALA 29 N -0.76 -1.29 -3.74 0.00 0.00 0.59 -4.98 120.51 110.34 2akl n ALA 29 Ca 0.10 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 2akl n ALA 29 Cb 0.50 -5.07 -0.16 0.00 0.00 0.00 0.00 19.45 14.72 2akl n ALA 29 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2akl s HIS 30 N -3.31 -0.07 0.34 0.00 3.76 -0.73 -5.00 115.29 110.29 2akl s HIS 30 Ca 0.62 0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 55.82 2akl s HIS 30 Cb -0.29 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.14 2akl s HIS 30 CO 0.77 -0.15 0.61 -1.21 -0.85 0.00 0.00 174.74 173.90 2akl s GLU 31 N 1.39 3.61 0.18 1.40 2.02 -1.26 -1.85 118.70 124.19 2akl s GLU 31 Ca -0.06 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.74 2akl s GLU 31 Cb -0.12 -2.58 0.06 0.00 0.10 0.00 0.00 34.13 31.58 2akl s GLU 31 CO -0.04 0.11 0.61 1.67 0.02 0.00 0.00 175.26 177.62 2akl s TRP 32 N -2.25 -0.43 -0.14 1.61 1.48 0.58 -4.94 118.94 114.84 2akl s TRP 32 Ca 0.45 0.15 -0.02 0.00 -1.06 0.00 0.00 56.10 55.62 2akl s TRP 32 Cb -0.10 0.56 -0.02 0.00 -1.16 0.00 0.00 33.47 32.74 2akl s TRP 32 CO 0.33 -0.92 -0.06 0.45 -4.06 0.00 0.00 176.95 172.69 2akl s SER 33 N -2.79 4.59 0.40 -2.66 0.15 -1.26 -1.54 113.70 110.59 2akl s SER 33 Ca 0.04 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.59 2akl s SER 33 Cb -0.02 -1.69 0.85 0.00 -1.71 0.00 0.00 66.02 63.45 2akl s SER 33 CO -0.08 0.19 2.05 1.55 1.20 0.00 0.00 173.24 178.14 2akl h PRO 34 N 6.56 0.56 0.00 5.44 0.13 -1.94 -2.94 132.00 139.82 2akl h PRO 34 Ca -0.31 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2akl h PRO 34 Cb 1.19 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2akl h PRO 34 CO 0.60 0.37 -1.04 0.09 -0.23 0.00 0.00 178.00 177.79 2akl n ASN 35 N -4.47 2.81 0.26 1.44 3.02 -1.26 -4.73 115.26 112.33 2akl n ASN 35 Ca 0.04 -0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.77 2akl n ASN 35 Cb 0.08 -0.02 0.87 0.00 -0.61 0.00 0.00 39.78 40.11 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2akl h GLU 36 N -0.01 0.00 -0.05 3.52 4.22 -1.99 -2.04 114.58 118.22 2akl h GLU 36 Ca -0.02 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.44 2akl h GLU 36 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2akl h GLU 36 CO -0.01 0.00 0.07 0.00 -2.18 0.00 0.00 179.01 176.90 2akl h ALA 37 N 2.03 1.50 -0.07 2.92 0.00 -1.80 0.11 119.26 123.95 2akl h ALA 37 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2akl h ALA 37 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2akl h ALA 37 CO 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.06 2akl h ALA 38 N 1.90 1.71 -1.92 0.00 0.00 -1.66 -3.49 119.26 115.80 2akl h ALA 38 Ca 0.02 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.00 2akl h ALA 38 Cb 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 2akl h ALA 38 CO -0.00 0.22 -0.65 2.41 0.00 0.00 0.00 179.25 181.23 2akl n THR 39 N -4.37 -0.37 -1.26 0.00 -1.04 0.37 -4.95 114.28 102.66 2akl n THR 39 Ca -0.02 0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 62.15 2akl n THR 39 Cb 0.20 -0.72 0.24 0.00 -1.82 0.00 0.00 70.33 68.23 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 -3.19 -2.99 -2.47 2.41 0.00 -1.26 -5.07 120.51 107.93 2akl n ALA 40 Ca -0.04 -1.66 -0.18 0.00 0.00 0.00 0.00 53.44 51.55 2akl n ALA 40 Cb 0.38 -0.11 0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.64 0.99 -3.73 0.00 7.64 -1.26 -5.13 113.62 107.49 2akl n SER 41 Ca 0.16 -1.86 -0.11 0.00 1.01 0.00 0.00 58.87 58.07 2akl n SER 41 Cb 0.59 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2akl n SER 41 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2akl s ASP 42 N -4.26 -0.14 0.35 6.43 2.15 -1.26 -5.05 116.67 114.89 2akl s ASP 42 Ca 0.53 -0.24 0.13 0.00 0.43 0.00 0.00 52.55 53.40 2akl s ASP 42 Cb -0.03 0.39 0.64 0.00 -0.30 0.00 0.00 42.92 43.62 2akl s ASP 42 CO 0.35 -0.69 1.77 -0.78 -0.17 0.00 0.00 175.17 175.66 2akl h ASP 43 N 2.95 0.00 0.00 -0.34 3.58 -2.02 -3.44 116.42 117.15 2akl h ASP 43 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2akl h ASP 43 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2akl h ASP 43 CO 0.47 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 2akl n GLY 44 N -0.23 -1.00 0.10 -0.78 0.00 -1.26 -1.61 105.19 100.41 2akl n GLY 44 Ca -0.02 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.70 2akl n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2akl n LYS 45 N 0.00 0.53 -3.90 1.61 4.76 -1.26 -4.01 118.16 115.89 2akl n LYS 45 Ca 0.00 0.53 -0.11 0.00 -2.87 0.00 0.00 58.31 55.86 2akl n LYS 45 Cb 0.00 -1.71 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 2akl n LYS 45 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2akl s VAL 46 N -2.35 0.07 0.11 -0.18 0.11 -1.26 -4.96 120.40 111.93 2akl s VAL 46 Ca -0.25 -0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 58.00 2akl s VAL 46 Cb 0.05 -0.28 -0.07 0.00 -1.53 0.00 0.00 36.38 34.55 2akl s VAL 46 CO 0.47 -0.31 0.71 -0.63 -3.33 0.00 0.00 175.10 172.02 2akl s ILE 47 N -0.98 4.55 0.19 7.04 -1.09 -1.26 -4.79 121.20 124.86 2akl s ILE 47 Ca -0.11 1.55 0.07 0.00 -2.23 0.00 0.00 60.65 59.93 2akl s ILE 47 Cb -0.06 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2akl s ILE 47 CO 0.00 0.50 0.04 -0.54 -1.23 0.00 0.00 174.94 173.71 2akl s LYS 48 N -0.90 2.54 0.39 2.79 3.01 -1.26 -2.20 119.74 124.12 2akl s LYS 48 Ca 0.34 -1.09 0.06 0.00 -1.01 0.00 0.00 55.97 54.27 2akl s LYS 48 Cb -0.22 -2.41 0.00 0.00 -1.01 0.00 0.00 37.83 34.20 2akl s LYS 48 CO 0.23 0.45 0.55 -0.51 0.51 0.00 0.00 175.35 176.58 2akl s ASP 49 N -3.14 5.79 0.03 2.83 1.11 0.81 -4.57 116.67 119.54 2akl s ASP 49 Ca 0.29 -0.20 0.24 0.00 0.18 0.00 0.00 52.55 53.06 2akl s ASP 49 Cb -0.09 -1.04 1.01 0.00 1.07 0.00 0.00 42.92 43.88 2akl s ASP 49 CO 0.20 -0.63 1.77 -1.54 1.18 0.00 0.00 175.17 176.15 2akl n SER 50 N -1.82 0.10 -0.27 0.27 3.41 -0.45 -2.19 113.62 112.67 2akl n SER 50 Ca 0.03 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 2akl n SER 50 Cb 0.58 -0.54 0.65 0.00 -0.26 0.00 0.00 64.21 64.65 2akl n SER 50 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2akl n VAL 51 N -1.60 0.03 -0.59 -3.33 3.14 -1.26 -4.88 118.33 109.84 2akl n VAL 51 Ca 0.06 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2akl n VAL 51 Cb 0.29 0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 2akl n VAL 51 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2akl n GLY 52 N 1.07 0.73 3.83 7.55 0.00 -0.93 -5.05 105.19 112.38 2akl n GLY 52 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.29 4.95 -0.01 1.61 6.03 -1.26 -4.92 114.94 119.06 2akl s ASN 53 Ca 0.00 -0.75 0.04 0.00 -1.03 0.00 0.00 52.86 51.12 2akl s ASN 53 Cb 0.00 -0.66 -0.03 0.00 -3.03 0.00 0.00 41.25 37.54 2akl s ASN 53 CO 0.00 -0.53 -0.13 -0.69 -2.03 0.00 0.00 177.10 173.72 2akl s VAL 54 N -2.45 3.17 0.59 3.54 1.01 -1.26 -0.13 120.40 124.86 2akl s VAL 54 Ca 0.44 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2akl s VAL 54 Cb -0.02 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.13 2akl s VAL 54 CO 0.26 0.47 0.82 -0.76 0.00 0.00 0.00 175.10 175.89 2akl s LEU 55 N -1.11 3.17 0.10 3.92 1.43 -0.93 -4.96 118.68 120.29 2akl s LEU 55 Ca 0.14 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2akl s LEU 55 Cb -0.11 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2akl s LEU 55 CO 0.04 -1.39 -0.12 -1.58 0.23 0.00 0.00 176.35 173.53 2akl s GLN 56 N -4.78 0.87 -0.69 1.70 0.74 -1.26 -4.74 119.66 111.51 2akl s GLN 56 Ca 0.62 -1.13 -0.26 0.00 0.05 0.00 0.00 55.36 54.63 2akl s GLN 56 Cb -0.07 -0.66 -0.05 0.00 1.10 0.00 0.00 33.01 33.34 2akl s GLN 56 CO 0.40 0.12 2.01 0.34 -0.55 0.00 0.00 175.29 177.61 2akl s ASP 57 N -2.32 4.99 0.00 6.67 2.15 -1.26 -0.98 116.67 125.92 2akl s ASP 57 Ca 0.05 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.18 2akl s ASP 57 Cb -0.05 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2akl s ASP 57 CO 0.01 -2.68 0.00 0.61 -0.17 0.00 0.00 175.17 172.94 2akl n GLY 58 N 6.15 0.85 3.74 2.66 0.00 -0.67 -4.92 105.19 113.00 2akl n GLY 58 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2akl n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2akl s ASP 59 N -0.87 3.69 -0.14 1.61 1.11 -0.16 -2.80 116.67 119.11 2akl s ASP 59 Ca 0.00 1.42 -0.09 0.00 0.18 0.00 0.00 52.55 54.06 2akl s ASP 59 Cb 0.00 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 2akl s ASP 59 CO 0.00 -2.49 0.16 -0.89 1.18 0.00 0.00 175.17 173.13 2akl s THR 60 N -3.00 5.44 0.35 -1.27 2.01 -1.26 -1.18 115.64 116.73 2akl s THR 60 Ca 0.63 0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.98 2akl s THR 60 Cb -0.17 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 2akl s THR 60 CO 0.56 0.54 -0.07 0.27 -0.69 0.00 0.00 174.62 175.24 2akl s ILE 61 N -0.48 2.11 -0.18 1.82 -5.25 0.68 -1.90 121.20 118.00 2akl s ILE 61 Ca 0.13 -2.15 -0.06 0.00 -0.99 0.00 0.00 60.65 57.58 2akl s ILE 61 Cb -0.12 -2.70 0.09 0.00 2.95 0.00 0.00 42.46 42.68 2akl s ILE 61 CO 0.03 -0.17 0.37 -0.89 -1.79 0.00 0.00 174.94 172.48 2akl s THR 62 N -2.69 -0.57 0.14 8.37 2.01 0.22 -1.79 115.64 121.33 2akl s THR 62 Ca 0.33 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 62.19 2akl s THR 62 Cb 0.04 -0.62 -0.11 0.00 0.01 0.00 0.00 72.50 71.83 2akl s THR 62 CO 0.16 0.06 1.79 0.54 -0.69 0.00 0.00 174.62 176.48 2akl s VAL 63 N 2.55 2.45 -0.43 3.82 0.11 -1.15 -0.96 120.40 126.79 2akl s VAL 63 Ca 0.01 0.07 0.15 0.00 -2.93 0.00 0.00 61.98 59.28 2akl s VAL 63 Cb -0.12 -3.05 0.79 0.00 -1.53 0.00 0.00 36.38 32.47 2akl s VAL 63 CO -0.12 0.00 1.71 2.30 -3.33 0.00 0.00 175.10 175.67 2akl n ILE 64 N 4.55 2.55 -4.08 7.04 -0.00 -0.65 -0.19 119.36 128.59 2akl n ILE 64 Ca 0.17 -1.34 -0.10 0.00 -0.00 0.00 0.00 62.75 61.48 2akl n ILE 64 Cb 0.38 -0.21 -0.09 0.00 -0.00 0.00 0.00 39.64 39.72 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 -2.57 1.10 -0.38 6.28 3.01 -1.26 -4.81 119.74 121.11 2akl s LYS 65 Ca 0.53 -1.36 -0.26 0.00 -1.01 0.00 0.00 55.97 53.87 2akl s LYS 65 Cb 0.39 0.31 0.02 0.00 -1.01 0.00 0.00 37.83 37.54 2akl s LYS 65 CO 0.17 -0.37 0.94 0.16 0.51 0.00 0.00 175.35 176.77 2akl s ASP 66 N -3.04 6.68 -0.00 2.83 1.47 -1.26 -2.36 116.67 120.99 2akl s ASP 66 Ca 0.24 0.57 0.06 0.00 1.18 0.00 0.00 52.55 54.59 2akl s ASP 66 Cb 0.05 -2.47 -0.02 0.00 -0.34 0.00 0.00 42.92 40.15 2akl s ASP 66 CO 0.03 -0.89 -0.18 -0.76 0.68 0.00 0.00 175.17 174.05 2akl s LEU 67 N 3.54 2.07 0.67 2.11 1.02 0.14 -5.02 118.68 123.21 2akl s LEU 67 Ca 0.39 -0.37 -0.04 0.00 0.02 0.00 0.00 54.13 54.13 2akl s LEU 67 Cb -0.12 -0.92 0.07 0.00 0.02 0.00 0.00 46.19 45.24 2akl s LEU 67 CO 0.20 0.20 0.95 -1.59 0.02 0.00 0.00 176.35 176.13 2akl s LYS 68 N -0.60 2.17 -0.07 1.70 0.00 -1.26 0.79 119.74 122.46 2akl s LYS 68 Ca 0.07 -0.54 0.05 0.00 0.00 0.00 0.00 55.97 55.55 2akl s LYS 68 Cb -0.07 -2.28 -0.01 0.00 0.00 0.00 0.00 37.83 35.47 2akl s LYS 68 CO -0.00 -1.15 -0.24 0.08 0.00 0.00 0.00 175.35 174.03 2akl s VAL 69 N -3.11 2.03 -0.10 1.79 1.01 -1.15 -4.63 120.40 116.25 2akl s VAL 69 Ca 0.61 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2akl s VAL 69 Cb -0.10 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 2akl s VAL 69 CO 0.43 0.56 0.29 0.11 0.00 0.00 0.00 175.10 176.50 2akl h LYS 70 N 6.28 -0.07 0.00 2.72 1.57 -1.99 -3.37 116.57 121.71 2akl h LYS 70 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2akl h LYS 70 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2akl h LYS 70 CO 0.47 0.19 0.00 0.78 -0.57 0.00 0.00 179.45 180.32 2akl h GLY 71 N -1.00 0.00 -3.29 3.86 0.00 -1.97 -3.44 103.07 97.23 2akl h GLY 71 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.70 2akl h GLY 71 CO 0.01 0.00 -0.73 -0.56 0.00 0.00 0.00 176.54 175.27 2akl s SER 72 N -5.29 4.18 0.00 0.19 0.01 -1.26 -5.00 113.70 106.52 2akl s SER 72 Ca 0.07 -0.63 0.31 0.00 1.31 0.00 0.00 55.95 57.01 2akl s SER 72 Cb 0.09 -0.67 1.82 0.00 0.21 0.00 0.00 66.02 67.46 2akl s SER 72 CO 0.58 0.09 2.18 -1.20 0.41 0.00 0.00 173.24 175.31 2akl n SER 73 N -0.05 0.00 -4.79 2.44 7.64 -1.26 -4.55 113.62 113.05 2akl n SER 73 Ca -0.10 -0.82 -0.36 0.00 1.01 0.00 0.00 58.87 58.60 2akl n SER 73 Cb 0.56 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.11 4.16 -0.13 -3.43 1.02 -1.26 -4.98 118.68 111.95 2akl s LEU 74 Ca 0.44 1.84 -0.03 0.00 0.02 0.00 0.00 54.13 56.39 2akl s LEU 74 Cb 0.21 -4.23 -0.03 0.00 0.02 0.00 0.00 46.19 42.16 2akl s LEU 74 CO 0.38 -0.27 -0.01 -0.69 0.02 0.00 0.00 176.35 175.78 2akl s VAL 75 N -1.81 4.13 -0.60 -1.59 1.01 -1.26 -2.91 120.40 117.37 2akl s VAL 75 Ca 0.56 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.00 2akl s VAL 75 Cb -0.16 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.48 2akl s VAL 75 CO 0.21 0.54 1.06 -0.69 0.00 0.00 0.00 175.10 176.21 2akl s VAL 76 N -0.17 4.19 0.08 2.92 1.01 0.24 -4.96 120.40 123.70 2akl s VAL 76 Ca 0.04 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2akl s VAL 76 Cb -0.13 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2akl s VAL 76 CO 0.02 -1.32 0.09 -1.59 0.00 0.00 0.00 175.10 172.29 2akl s LYS 77 N 4.47 2.92 -0.75 2.72 0.00 -1.26 0.26 119.74 128.09 2akl s LYS 77 Ca 0.33 -0.67 -0.25 0.00 0.00 0.00 0.00 55.97 55.38 2akl s LYS 77 Cb -0.11 -2.75 -0.16 0.00 0.00 0.00 0.00 37.83 34.81 2akl s LYS 77 CO 0.19 0.57 2.47 1.55 0.00 0.00 0.00 175.35 180.13 2akl n VAL 78 N 0.47 -0.04 0.00 1.79 3.14 -0.99 -0.23 118.33 122.47 2akl n VAL 78 Ca -0.08 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 2akl n VAL 78 Cb 0.52 -1.65 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 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 -0.16 3.57 7.55 0.00 0.73 -4.93 105.19 118.19 2akl n GLY 79 Ca 0.51 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.74 3.12 -0.24 2.61 2.01 0.68 -4.85 115.64 118.23 2akl s THR 80 Ca 0.00 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 2akl s THR 80 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2akl s THR 80 CO 0.00 -0.20 0.51 -0.75 -0.69 0.00 0.00 174.62 173.50 2akl s LYS 81 N 7.23 4.10 -0.12 4.92 2.36 -1.26 -2.91 119.74 134.06 2akl s LYS 81 Ca 0.92 0.34 -0.02 0.00 -2.55 0.00 0.00 55.97 54.66 2akl s LYS 81 Cb -0.21 -3.62 0.04 0.00 -1.05 0.00 0.00 37.83 32.98 2akl s LYS 81 CO 0.29 -0.29 -0.00 0.08 1.55 0.00 0.00 175.35 176.98 2akl s VAL 82 N 2.10 0.57 0.22 4.02 1.01 -0.74 -4.99 120.40 122.59 2akl s VAL 82 Ca 0.22 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2akl s VAL 82 Cb -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2akl s VAL 82 CO 0.09 0.11 0.33 -1.59 0.00 0.00 0.00 175.10 174.05 2akl s LYS 83 N 1.87 3.41 -1.03 2.72 -2.85 -1.26 -0.23 119.74 122.37 2akl s LYS 83 Ca 0.03 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 54.24 2akl s LYS 83 Cb -0.14 -2.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 2akl s LYS 83 CO -0.07 0.45 0.87 0.09 0.10 0.00 0.00 175.35 176.80 2akl n ASN 84 N -1.21 -2.95 -3.60 0.03 3.02 -0.32 -4.83 115.26 105.40 2akl n ASN 84 Ca -0.09 -0.50 -0.30 0.00 -0.03 0.00 0.00 54.58 53.66 2akl n ASN 84 Cb 0.56 -4.34 0.27 0.00 -0.61 0.00 0.00 39.78 35.66 2akl n ASN 84 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2akl s ILE 85 N -3.29 1.38 -0.09 2.41 -4.36 -1.02 -4.57 121.20 111.66 2akl s ILE 85 Ca 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 2akl s ILE 85 Cb -0.05 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.43 2akl s ILE 85 CO 0.61 0.00 -0.09 -0.60 0.24 0.00 0.00 174.94 175.10 2akl s ARG 86 N -5.21 1.48 -0.31 0.37 6.06 0.21 -1.67 118.95 119.89 2akl s ARG 86 Ca 0.70 -0.28 -0.29 0.00 -2.50 0.00 0.00 55.73 53.35 2akl s ARG 86 Cb -0.12 -1.42 0.01 0.00 0.06 0.00 0.00 34.95 33.48 2akl s ARG 86 CO 0.57 -0.14 1.13 -0.51 -2.50 0.00 0.00 175.30 173.85 2akl s LEU 87 N 1.25 3.92 0.64 -0.88 1.43 -1.26 -0.69 118.68 123.09 2akl s LEU 87 Ca -0.04 1.09 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2akl s LEU 87 Cb -0.14 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 2akl s LEU 87 CO -0.03 -0.93 1.01 -0.69 0.23 0.00 0.00 176.35 175.94 2akl s VAL 88 N 3.83 3.96 -0.98 -1.59 1.01 -1.25 -4.95 120.40 120.44 2akl s VAL 88 Ca 0.48 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.67 2akl s VAL 88 Cb -0.13 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2akl s VAL 88 CO 0.18 -0.74 1.62 -1.81 0.00 0.00 0.00 175.10 174.35 2akl s ASP 89 N -4.28 6.03 0.00 3.32 1.01 -1.26 -4.66 116.67 116.83 2akl s ASP 89 Ca 0.55 -1.19 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2akl s ASP 89 Cb -0.11 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2akl s ASP 89 CO 0.50 -1.94 0.00 0.61 0.21 0.00 0.00 175.17 174.55 2akl n GLY 90 N 6.87 3.83 0.13 0.21 0.00 -1.26 -4.97 105.19 109.99 2akl n GLY 90 Ca 0.36 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.43 -2.86 1.61 2.03 -0.63 -3.07 116.55 114.05 2akl n ASP 91 Ca 0.00 0.70 -0.36 0.00 0.52 0.00 0.00 54.79 55.65 2akl n ASP 91 Cb 0.00 -0.75 0.02 0.00 -0.72 0.00 0.00 41.12 39.68 2akl n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2akl n HIS 92 N -2.08 3.13 -3.64 -0.67 1.44 -1.26 -4.21 115.22 107.93 2akl n HIS 92 Ca -0.01 -2.64 -0.05 0.00 -2.01 0.00 0.00 57.72 53.01 2akl n HIS 92 Cb 0.04 -0.85 -0.06 0.00 0.12 0.00 0.00 29.99 29.23 2akl n HIS 92 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2akl s ASP 93 N -1.89 -0.20 -0.10 4.39 2.15 -1.18 -4.65 116.67 115.19 2akl s ASP 93 Ca 0.50 0.34 -0.04 0.00 0.43 0.00 0.00 52.55 53.78 2akl s ASP 93 Cb 0.40 0.33 0.05 0.00 -0.30 0.00 0.00 42.92 43.40 2akl s ASP 93 CO -0.32 -0.10 0.19 -0.63 -0.17 0.00 0.00 175.17 174.14 2akl s ILE 94 N -0.24 -0.29 -0.08 4.11 1.01 -0.99 -3.74 121.20 120.98 2akl s ILE 94 Ca 0.05 0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.90 2akl s ILE 94 Cb -0.04 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.05 2akl s ILE 94 CO -0.10 0.14 0.32 -0.62 0.00 0.00 0.00 174.94 174.68 2akl s ASP 95 N 2.26 6.60 0.17 3.58 2.15 0.13 -1.44 116.67 130.12 2akl s ASP 95 Ca 0.02 0.72 -0.16 0.00 0.43 0.00 0.00 52.55 53.56 2akl s ASP 95 Cb -0.12 -2.19 0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2akl s ASP 95 CO -0.06 0.26 0.46 0.00 -0.17 0.00 0.00 175.17 175.66 2akl s LYS 97 N -3.86 1.27 -0.30 0.00 2.20 -1.26 -0.11 119.74 117.68 2akl s LYS 97 Ca 0.08 -1.05 0.03 0.00 -0.36 0.00 0.00 55.97 54.68 2akl s LYS 97 Cb 0.00 -1.46 0.08 0.00 -1.51 0.00 0.00 37.83 34.94 2akl s LYS 97 CO -0.05 0.36 -0.03 0.42 -0.36 0.00 0.00 175.35 175.68 2akl s ILE 98 N -0.97 2.18 -0.39 5.43 1.09 0.13 -4.89 121.20 123.79 2akl s ILE 98 Ca 0.07 -1.95 -0.27 0.00 -1.10 0.00 0.00 60.65 57.41 2akl s ILE 98 Cb -0.09 -2.44 -0.06 0.00 -1.06 0.00 0.00 42.46 38.80 2akl s ILE 98 CO 0.03 -0.30 2.31 -1.81 -0.10 0.00 0.00 174.94 175.07 2akl s ASP 99 N 1.02 4.85 0.00 3.58 1.11 -1.26 -1.51 116.67 124.46 2akl s ASP 99 Ca 0.00 1.36 0.00 0.00 0.18 0.00 0.00 52.55 54.09 2akl s ASP 99 Cb -0.19 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.29 2akl s ASP 99 CO -0.07 -2.52 0.00 0.61 1.18 0.00 0.00 175.17 174.38 2akl n GLY 100 N 5.90 1.54 0.11 0.21 0.00 -1.26 -4.92 105.19 106.77 2akl n GLY 100 Ca 0.33 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2akl n GLY 100 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2akl h ILE 101 N 0.00 1.23 0.00 -0.61 3.07 -1.97 -3.51 117.51 115.72 2akl h ILE 101 Ca 0.00 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 64.05 2akl h ILE 101 Cb 0.00 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2akl h ILE 101 CO 0.00 0.60 0.00 0.61 -1.05 0.00 0.00 178.15 178.31 2akl n GLY 102 N 1.64 0.39 3.85 0.16 0.00 -0.57 -5.04 105.19 105.62 2akl n GLY 102 Ca -0.22 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.00 3.37 0.04 4.61 0.00 -1.26 0.22 121.76 127.73 2akl s ALA 103 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2akl s ALA 103 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2akl s ALA 103 CO 0.00 0.36 -0.02 1.41 0.00 0.00 0.00 175.76 177.51 2akl s MET 104 N -2.94 0.53 -0.06 0.00 0.00 0.84 -4.88 119.30 112.79 2akl s MET 104 Ca 0.53 -1.02 0.03 0.00 0.00 0.00 0.00 55.69 55.23 2akl s MET 104 Cb -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 34.83 34.89 2akl s MET 104 CO 0.18 -0.10 -0.14 0.15 0.00 0.00 0.00 175.02 175.12 2akl s LYS 105 N -3.15 2.61 -0.00 4.11 1.02 -1.26 -1.90 119.74 121.16 2akl s LYS 105 Ca -0.00 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.38 2akl s LYS 105 Cb 0.02 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2akl s LYS 105 CO -0.07 0.59 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.21 2akl s LEU 106 N -0.63 2.07 -0.25 3.17 1.43 -0.52 -4.97 118.68 118.98 2akl s LEU 106 Ca 0.09 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2akl s LEU 106 Cb -0.11 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2akl s LEU 106 CO 0.01 0.25 0.84 -0.54 0.23 0.00 0.00 176.35 177.14 2akl s LYS 107 N -0.68 4.16 0.33 1.70 3.01 -1.26 -2.35 119.74 124.65 2akl s LYS 107 Ca 0.09 0.92 0.11 0.00 -1.01 0.00 0.00 55.97 56.08 2akl s LYS 107 Cb -0.09 -3.66 0.94 0.00 -1.01 0.00 0.00 37.83 34.02 2akl s LYS 107 CO -0.00 -0.55 1.72 0.77 0.51 0.00 0.00 175.35 177.80 2akl h SER 108 N 7.73 0.63 0.27 2.83 0.02 -1.82 0.29 113.55 123.48 2akl h SER 108 Ca -0.23 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2akl h SER 108 Cb 1.09 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2akl h SER 108 CO 0.88 0.06 0.00 -0.62 -1.14 0.00 0.00 176.83 176.01 2akl n GLU 109 N -4.89 0.04 -0.02 3.45 1.02 -1.26 -1.84 120.64 117.13 2akl n GLU 109 Ca 0.28 0.42 0.04 0.00 -0.02 0.00 0.00 57.16 57.88 2akl n GLU 109 Cb 0.80 -1.60 0.05 0.00 -0.02 0.00 0.00 31.44 30.67 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2akl n PHE 110 N -1.68 0.06 -4.10 -0.32 3.72 1.00 -4.52 117.46 111.62 2akl n PHE 110 Ca 0.01 -0.09 -0.24 0.00 -0.05 0.00 0.00 57.45 57.08 2akl n PHE 110 Cb 0.09 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.76 2.38 -0.22 -4.37 -7.23 -0.76 -1.63 120.40 107.81 2akl s VAL 111 Ca 0.11 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2akl s VAL 111 Cb 0.07 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 34.09 2akl s VAL 111 CO 0.11 -0.02 0.53 -0.60 -0.31 0.00 0.00 175.10 174.81 2akl s ARG 112 N -3.91 0.52 0.09 4.82 3.52 -0.14 -1.34 118.95 122.52 2akl s ARG 112 Ca 0.41 0.98 -0.31 0.00 -0.13 0.00 0.00 55.73 56.69 2akl s ARG 112 Cb 0.03 0.06 -0.10 0.00 -1.56 0.00 0.00 34.95 33.38 2akl s ARG 112 CO 0.23 -0.16 1.90 1.17 -0.81 0.00 0.00 175.30 177.63 2akl n LYS 113 N 4.31 2.86 -0.17 5.12 4.81 -1.26 0.69 118.16 134.52 2akl n LYS 113 Ca -0.22 1.04 -0.07 0.00 -0.87 0.00 0.00 58.31 58.19 2akl n LYS 113 Cb 0.57 -2.97 0.02 0.00 0.02 0.00 0.00 35.03 32.67 2akl n LYS 113 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2akl h VAL 114 N 5.04 1.15 0.00 3.15 2.07 -1.65 -3.46 116.25 122.54 2akl h VAL 114 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2akl h VAL 114 Cb 1.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2akl h VAL 114 CO 0.95 0.15 0.00 0.61 0.02 0.00 0.00 177.57 179.29 2akl n GLY 115 N -1.16 1.11 0.58 2.17 0.00 -1.26 -5.09 105.19 101.52 2akl n GLY 115 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2akl n GLY 115 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06