#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 0.03 -0.70 3.17 0.11 -1.26 -4.97 120.40 116.78 2akl s VAL 2 Ca 0.00 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2akl s VAL 2 Cb 0.00 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 2akl s VAL 2 CO 0.00 -0.13 0.60 -1.20 -3.33 0.00 0.00 175.10 171.04 2akl n SER 3 N 0.64 -3.63 -3.70 3.54 7.64 -1.26 -5.03 113.62 111.82 2akl n SER 3 Ca -0.19 -0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.27 2akl n SER 3 Cb 0.59 -2.94 -0.10 0.00 -1.01 0.00 0.00 64.21 60.75 2akl n SER 3 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2akl s THR 4 N -3.18 -0.01 0.08 0.44 -1.32 -1.26 -5.17 115.64 105.23 2akl s THR 4 Ca 0.22 0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.77 2akl s THR 4 Cb -0.10 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 2akl s THR 4 CO 0.39 0.01 -0.04 -0.76 -2.21 0.00 0.00 174.62 172.01 2akl s LEU 5 N 0.64 3.28 0.77 9.08 1.43 -1.26 -5.11 118.68 127.52 2akl s LEU 5 Ca -0.03 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2akl s LEU 5 Cb -0.05 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.21 2akl s LEU 5 CO -0.04 0.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.66 2akl s PRO 6 N -2.12 2.30 0.00 1.29 0.04 -1.26 -5.07 135.00 130.18 2akl s PRO 6 Ca 0.23 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2akl s PRO 6 Cb -0.11 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2akl s PRO 6 CO 0.15 -1.52 0.00 -2.30 0.04 0.00 0.00 177.00 173.37 2akl n PRO 7 N -3.40 -0.57 -3.67 0.56 -0.02 -1.26 -4.79 135.00 121.85 2akl n PRO 7 Ca 0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2akl n PRO 7 Cb 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.95 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 3.44 0.55 0.00 0.00 -0.04 -1.26 -0.17 135.00 137.51 2akl n PRO 9 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2akl n PRO 9 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.55 0.99 -0.09 0.54 6.02 -1.26 -4.90 117.38 118.13 2akl n GLN 10 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 2akl n GLN 10 Cb 0.01 -0.92 -0.07 0.00 1.02 0.00 0.00 30.24 30.27 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 -3.48 0.00 0.00 0.00 2.85 0.76 -4.90 115.26 110.49 2akl n ASN 12 Ca -0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 2akl n ASN 12 Cb 0.78 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 -4.62 113.62 116.57 2akl n SER 13 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2akl n SER 13 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.72 0.00 -0.20 1.43 0.28 -1.26 -5.00 120.64 114.16 2akl n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2akl n GLU 14 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 -3.94 -1.84 4.02 -1.26 -4.81 117.16 109.33 2akl n TYR 15 Ca 0.00 -0.63 -0.36 0.00 -0.01 0.00 0.00 57.90 56.90 2akl n TYR 15 Cb 0.00 -0.34 -0.06 0.00 -0.02 0.00 0.00 39.34 38.92 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2akl s THR 16 N 0.20 5.35 0.34 -0.72 2.01 -1.26 -3.96 115.64 117.60 2akl s THR 16 Ca 0.00 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2akl s THR 16 Cb 0.00 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2akl s THR 16 CO 0.00 0.57 0.56 -0.72 -0.69 0.00 0.00 174.62 174.34 2akl s TYR 17 N -1.06 0.69 -0.19 4.92 1.13 -1.15 -4.98 117.35 116.71 2akl s TYR 17 Ca 0.17 -1.07 -0.04 0.00 -1.41 0.00 0.00 57.07 54.73 2akl s TYR 17 Cb -0.12 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2akl s TYR 17 CO 0.06 -1.23 -0.04 -1.83 -2.51 0.00 0.00 175.55 170.01 2akl s GLU 18 N -3.02 3.52 -0.82 -3.49 -1.05 -1.26 -1.35 118.70 111.22 2akl s GLU 18 Ca 0.25 -0.58 0.02 0.00 -0.15 0.00 0.00 54.97 54.51 2akl s GLU 18 Cb -0.02 -2.97 0.27 0.00 -0.44 0.00 0.00 34.13 30.97 2akl s GLU 18 CO 0.16 0.00 1.06 -3.47 0.95 0.00 0.00 175.26 173.96 2akl n ASP 19 N 4.23 4.89 0.00 0.83 2.03 -1.12 -4.96 116.55 122.45 2akl n ASP 19 Ca -0.18 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.70 2akl n ASP 19 Cb 0.52 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.04 0.99 1.12 0.27 0.00 -1.26 -4.44 105.19 102.92 2akl n GLY 20 Ca 0.28 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 1.32 3.06 -3.35 4.61 0.00 -1.26 -4.98 120.51 119.92 2akl n ALA 21 Ca 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 53.44 51.43 2akl n ALA 21 Cb 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 0.02 0.00 -4.48 0.00 -0.00 -1.26 -4.82 117.00 106.46 2akl n LEU 22 Ca 0.22 -1.13 -0.33 0.00 -0.00 0.00 0.00 56.01 54.77 2akl n LEU 22 Cb 0.89 1.67 -0.13 0.00 -0.00 0.00 0.00 43.42 45.85 2akl n LEU 22 CO 0.19 -0.38 -0.41 -0.76 -0.00 0.00 0.00 177.39 176.03 2akl s LEU 23 N 0.00 2.97 -0.00 1.47 1.43 -0.60 -2.80 118.68 121.15 2akl s LEU 23 Ca 0.07 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2akl s LEU 23 Cb -0.02 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2akl s LEU 23 CO 0.05 0.25 -0.20 0.68 0.23 0.00 0.00 176.35 177.37 2akl s VAL 24 N -0.15 1.56 -0.42 -1.59 -7.23 -0.46 -0.20 120.40 111.90 2akl s VAL 24 Ca 0.01 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 2akl s VAL 24 Cb -0.13 -1.31 0.07 0.00 0.56 0.00 0.00 36.38 35.57 2akl s VAL 24 CO 0.03 0.38 0.29 0.00 -0.31 0.00 0.00 175.10 175.49 2akl n PRO 26 N 5.00 0.16 0.21 0.00 -0.04 -1.25 -1.49 135.00 137.59 2akl n PRO 26 Ca -0.11 0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 63.72 2akl n PRO 26 Cb 0.44 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.57 -0.66 0.54 4.81 -1.91 -3.34 114.58 113.45 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 0.24 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2akl h GLU 27 CO 0.00 -0.33 0.00 0.00 -0.73 0.00 0.00 179.01 177.95 2akl n ALA 29 N 1.40 -1.74 -3.73 0.00 0.00 -0.56 -5.01 120.51 110.87 2akl n ALA 29 Ca 0.22 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 2akl n ALA 29 Cb 0.60 -3.58 -0.15 0.00 0.00 0.00 0.00 19.45 16.32 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 -3.36 -0.13 0.35 0.00 5.04 -1.13 -5.02 115.29 111.03 2akl s HIS 30 Ca 0.23 0.46 -0.04 0.00 -1.54 0.00 0.00 55.06 54.17 2akl s HIS 30 Cb -0.10 -0.16 -0.04 0.00 0.04 0.00 0.00 32.58 32.31 2akl s HIS 30 CO 0.74 -0.18 0.61 -1.21 -2.34 0.00 0.00 174.74 172.36 2akl s GLU 31 N 1.45 3.59 0.18 2.88 8.01 -1.26 -2.06 118.70 131.49 2akl s GLU 31 Ca -0.06 -0.01 -0.22 0.00 0.01 0.00 0.00 54.97 54.69 2akl s GLU 31 Cb -0.12 -2.58 0.05 0.00 -4.31 0.00 0.00 34.13 27.18 2akl s GLU 31 CO -0.05 0.10 0.60 1.67 0.01 0.00 0.00 175.26 177.58 2akl s TRP 32 N -2.29 -0.41 -0.14 1.61 1.48 0.72 -4.96 118.94 114.95 2akl s TRP 32 Ca 0.44 0.14 0.01 0.00 -1.06 0.00 0.00 56.10 55.63 2akl s TRP 32 Cb -0.10 0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 32.74 2akl s TRP 32 CO 0.34 -0.91 -0.16 0.45 -4.06 0.00 0.00 176.95 172.62 2akl s SER 33 N -2.79 3.72 0.12 -2.66 0.15 -1.26 -1.55 113.70 109.41 2akl s SER 33 Ca 0.04 -0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.06 2akl s SER 33 Cb -0.02 -1.56 -0.07 0.00 -1.71 0.00 0.00 66.02 62.66 2akl s SER 33 CO -0.09 0.13 1.74 1.55 1.20 0.00 0.00 173.24 177.77 2akl h PRO 34 N 7.00 0.29 0.00 5.44 0.13 -1.96 -3.24 132.00 139.65 2akl h PRO 34 Ca -0.28 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 2akl h PRO 34 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2akl h PRO 34 CO 0.55 0.23 -1.27 0.09 -0.23 0.00 0.00 178.00 177.38 2akl n ASN 35 N -4.91 3.87 0.22 1.44 3.02 -1.26 -4.65 115.26 112.99 2akl n ASN 35 Ca -0.03 -0.01 0.07 0.00 -0.03 0.00 0.00 54.58 54.58 2akl n ASN 35 Cb 0.05 0.28 0.50 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.00 0.00 -0.05 3.52 4.81 -1.75 0.21 114.58 121.33 2akl h GLU 36 Ca -0.10 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2akl h GLU 36 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2akl h GLU 36 CO -0.00 0.26 -0.30 0.00 -0.73 0.00 0.00 179.01 178.24 2akl h ALA 37 N 1.74 1.42 0.00 2.92 0.00 -1.82 -3.29 119.26 120.23 2akl h ALA 37 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2akl h ALA 37 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2akl h ALA 37 CO 0.03 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.51 2akl h ALA 38 N 1.63 0.00 -2.59 0.00 0.00 -1.54 -3.45 119.26 113.30 2akl h ALA 38 Ca 0.01 -0.22 -0.70 0.00 0.00 0.00 0.00 54.91 54.00 2akl h ALA 38 Cb 0.57 0.20 -0.20 0.00 0.00 0.00 0.00 17.79 18.36 2akl h ALA 38 CO 0.04 0.20 -0.43 0.95 0.00 0.00 0.00 179.25 180.00 2akl s THR 39 N -1.70 5.26 0.27 0.00 -4.23 0.65 -5.05 115.64 110.85 2akl s THR 39 Ca -0.06 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.06 2akl s THR 39 Cb 0.01 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 2akl s THR 39 CO 0.08 -0.17 0.22 0.00 -0.54 0.00 0.00 174.62 174.21 2akl s ALA 40 N 1.73 1.49 -0.25 3.99 0.00 -1.24 -4.10 121.76 123.38 2akl s ALA 40 Ca 0.06 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.03 2akl s ALA 40 Cb -0.18 1.43 -0.05 0.00 0.00 0.00 0.00 23.12 24.32 2akl s ALA 40 CO 0.10 -0.63 0.21 -1.12 0.00 0.00 0.00 175.76 174.32 2akl s SER 41 N -3.27 6.13 -0.18 0.00 0.01 -1.26 -5.06 113.70 110.07 2akl s SER 41 Ca 0.40 0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.61 2akl s SER 41 Cb 0.04 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2akl s SER 41 CO 0.20 -0.01 0.45 -0.62 0.41 0.00 0.00 173.24 173.67 2akl s ASP 42 N 1.35 6.54 0.00 2.44 2.15 -1.26 -4.96 116.67 122.94 2akl s ASP 42 Ca 0.09 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.72 2akl s ASP 42 Cb -0.15 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2akl s ASP 42 CO 0.08 -0.08 0.00 -0.67 -0.17 0.00 0.00 175.17 174.32 2akl n ASP 43 N 4.33 0.00 -1.69 -0.34 2.03 -1.26 -5.06 116.55 114.56 2akl n ASP 43 Ca -0.07 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.15 2akl n ASP 43 Cb 0.51 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.00 3.34 0.12 0.27 0.00 -1.26 -3.69 105.19 103.97 2akl n GLY 44 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 0.83 0.67 -4.11 1.61 4.76 -1.26 -0.90 118.16 119.75 2akl n LYS 45 Ca 0.16 0.09 -0.35 0.00 -2.87 0.00 0.00 58.31 55.34 2akl n LYS 45 Cb 0.56 -1.53 -0.12 0.00 -1.84 0.00 0.00 35.03 32.10 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2akl s VAL 46 N -2.51 4.03 -0.09 -0.18 1.01 -1.24 -4.55 120.40 116.87 2akl s VAL 46 Ca -0.25 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2akl s VAL 46 Cb 0.08 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2akl s VAL 46 CO 0.70 0.44 0.51 -0.63 0.00 0.00 0.00 175.10 176.11 2akl s ILE 47 N 0.88 5.12 0.69 2.22 -1.09 -1.26 -4.86 121.20 122.89 2akl s ILE 47 Ca 0.01 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 2akl s ILE 47 Cb -0.14 -3.84 0.11 0.00 -1.58 0.00 0.00 42.46 37.00 2akl s ILE 47 CO 0.02 0.35 0.95 -0.54 -1.23 0.00 0.00 174.94 174.49 2akl s LYS 48 N 0.39 1.85 0.52 2.79 1.02 -1.26 -1.65 119.74 123.40 2akl s LYS 48 Ca 0.27 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 55.20 2akl s LYS 48 Cb -0.16 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2akl s LYS 48 CO 0.12 -1.30 0.15 -0.51 -0.92 0.00 0.00 175.35 172.89 2akl s ASP 49 N -4.68 4.32 0.00 2.83 1.01 0.18 -4.62 116.67 115.71 2akl s ASP 49 Ca 0.65 -1.50 0.26 0.00 0.71 0.00 0.00 52.55 52.67 2akl s ASP 49 Cb -0.06 0.46 1.33 0.00 1.01 0.00 0.00 42.92 45.66 2akl s ASP 49 CO 0.43 -0.94 1.88 -0.24 0.21 0.00 0.00 175.17 176.51 2akl n SER 50 N -1.44 0.00 -0.10 0.27 2.88 -0.17 -2.48 113.62 112.58 2akl n SER 50 Ca -0.13 -0.15 0.12 0.00 -1.33 0.00 0.00 58.87 57.39 2akl n SER 50 Cb 0.66 -0.26 0.26 0.00 -0.75 0.00 0.00 64.21 64.12 2akl n SER 50 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2akl n VAL 51 N -1.26 0.00 -0.15 2.46 0.31 -1.25 -4.84 118.33 113.60 2akl n VAL 51 Ca 0.13 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2akl n VAL 51 Cb 0.20 0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 1.44 0.98 3.94 2.92 0.00 -1.03 -4.10 105.19 109.34 2akl n GLY 52 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.86 5.64 0.09 1.61 4.22 -1.26 -4.81 114.94 117.57 2akl s ASN 53 Ca 0.00 0.42 0.10 0.00 -2.14 0.00 0.00 52.86 51.24 2akl s ASN 53 Cb 0.00 -1.51 -0.04 0.00 1.28 0.00 0.00 41.25 40.99 2akl s ASN 53 CO 0.00 -0.92 -0.26 0.54 -2.04 0.00 0.00 177.10 174.41 2akl s VAL 54 N -2.77 2.24 0.64 3.54 0.11 -1.26 0.51 120.40 123.41 2akl s VAL 54 Ca 0.52 -1.59 0.05 0.00 -2.93 0.00 0.00 61.98 58.03 2akl s VAL 54 Cb -0.10 -1.95 0.10 0.00 -1.53 0.00 0.00 36.38 32.91 2akl s VAL 54 CO 0.41 0.21 0.88 -0.76 -3.33 0.00 0.00 175.10 172.50 2akl s LEU 55 N -1.72 3.06 0.07 2.54 1.43 -0.66 -4.97 118.68 118.43 2akl s LEU 55 Ca 0.13 -0.64 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2akl s LEU 55 Cb -0.10 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2akl s LEU 55 CO 0.05 -1.57 -0.17 -1.58 0.23 0.00 0.00 176.35 173.30 2akl s GLN 56 N -4.87 1.04 -0.61 1.70 0.74 -1.26 -4.68 119.66 111.72 2akl s GLN 56 Ca 0.64 -0.96 -0.26 0.00 0.05 0.00 0.00 55.36 54.82 2akl s GLN 56 Cb -0.05 -1.14 -0.02 0.00 1.10 0.00 0.00 33.01 32.89 2akl s GLN 56 CO 0.41 0.27 1.90 0.34 -0.55 0.00 0.00 175.29 177.66 2akl s ASP 57 N -1.53 5.21 0.00 6.67 -1.08 -1.26 -1.13 116.67 123.56 2akl s ASP 57 Ca 0.03 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.43 2akl s ASP 57 Cb -0.09 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2akl s ASP 57 CO 0.02 -2.42 0.00 0.61 0.52 0.00 0.00 175.17 173.91 2akl n GLY 58 N 5.74 1.16 3.74 2.66 0.00 -0.21 -4.91 105.19 113.38 2akl n GLY 58 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.19 2.27 -0.13 1.61 -1.08 -0.28 -2.89 116.67 114.98 2akl s ASP 59 Ca 0.00 0.64 -0.06 0.00 -0.52 0.00 0.00 52.55 52.62 2akl s ASP 59 Cb 0.00 -0.94 -0.04 0.00 -1.46 0.00 0.00 42.92 40.48 2akl s ASP 59 CO 0.00 -3.29 0.08 -0.89 0.52 0.00 0.00 175.17 171.59 2akl s THR 60 N -3.32 4.97 0.32 1.71 2.01 -1.26 0.05 115.64 120.11 2akl s THR 60 Ca 0.70 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.79 2akl s THR 60 Cb -0.10 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2akl s THR 60 CO 0.55 0.57 -0.09 0.27 -0.69 0.00 0.00 174.62 175.23 2akl s ILE 61 N -0.63 2.07 -0.17 1.82 -5.25 0.31 -1.45 121.20 117.89 2akl s ILE 61 Ca 0.12 -2.20 -0.05 0.00 -0.99 0.00 0.00 60.65 57.53 2akl s ILE 61 Cb -0.12 -2.55 0.08 0.00 2.95 0.00 0.00 42.46 42.83 2akl s ILE 61 CO 0.02 -0.25 0.33 -0.89 -1.79 0.00 0.00 174.94 172.36 2akl s THR 62 N -2.73 -0.52 0.16 8.37 2.01 0.19 -1.73 115.64 121.40 2akl s THR 62 Ca 0.31 0.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.16 2akl s THR 62 Cb 0.02 -0.59 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 2akl s THR 62 CO 0.15 0.05 1.61 0.54 -0.69 0.00 0.00 174.62 176.28 2akl s VAL 63 N 2.50 2.54 -0.64 3.82 0.11 -1.16 -0.65 120.40 126.92 2akl s VAL 63 Ca 0.02 0.36 0.16 0.00 -2.93 0.00 0.00 61.98 59.59 2akl s VAL 63 Cb -0.13 -3.23 0.70 0.00 -1.53 0.00 0.00 36.38 32.19 2akl s VAL 63 CO -0.11 0.02 1.62 2.30 -3.33 0.00 0.00 175.10 175.60 2akl n ILE 64 N 4.06 2.19 -4.12 7.04 -0.00 -0.05 0.36 119.36 128.84 2akl n ILE 64 Ca 0.15 -1.38 -0.09 0.00 -0.00 0.00 0.00 62.75 61.42 2akl n ILE 64 Cb 0.38 -0.06 -0.10 0.00 -0.00 0.00 0.00 39.64 39.87 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 -2.29 0.90 -0.27 6.28 3.01 -1.25 -4.74 119.74 121.37 2akl s LYS 65 Ca 0.49 -1.38 -0.26 0.00 -1.01 0.00 0.00 55.97 53.81 2akl s LYS 65 Cb 0.35 0.25 0.01 0.00 -1.01 0.00 0.00 37.83 37.42 2akl s LYS 65 CO 0.18 -0.25 0.93 0.16 0.51 0.00 0.00 175.35 176.88 2akl s ASP 66 N -3.02 6.88 0.01 2.83 -4.77 -1.26 -2.79 116.67 114.55 2akl s ASP 66 Ca 0.21 1.03 0.02 0.00 -3.30 0.00 0.00 52.55 50.51 2akl s ASP 66 Cb 0.07 -2.48 -0.01 0.00 -1.09 0.00 0.00 42.92 39.41 2akl s ASP 66 CO -0.00 -0.67 -0.07 -0.76 0.70 0.00 0.00 175.17 174.37 2akl s LEU 67 N 3.16 2.07 0.72 2.11 1.43 0.17 -5.02 118.68 123.31 2akl s LEU 67 Ca 0.39 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2akl s LEU 67 Cb -0.14 -0.28 0.13 0.00 0.03 0.00 0.00 46.19 45.92 2akl s LEU 67 CO 0.10 0.01 0.99 -1.59 0.23 0.00 0.00 176.35 176.09 2akl s LYS 68 N -0.47 1.68 -0.06 1.70 -2.85 -1.26 0.54 119.74 119.00 2akl s LYS 68 Ca -0.00 -1.18 0.03 0.00 -1.00 0.00 0.00 55.97 53.81 2akl s LYS 68 Cb -0.04 -2.35 0.01 0.00 -2.06 0.00 0.00 37.83 33.38 2akl s LYS 68 CO -0.00 -1.44 -0.15 0.08 0.10 0.00 0.00 175.35 173.93 2akl s VAL 69 N -3.12 1.35 -0.13 1.79 1.01 -1.25 -4.60 120.40 115.45 2akl s VAL 69 Ca 0.66 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2akl s VAL 69 Cb -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2akl s VAL 69 CO 0.44 0.40 0.43 -0.75 0.00 0.00 0.00 175.10 175.62 2akl s LYS 70 N 0.39 4.31 0.00 2.72 2.47 -1.26 -4.05 119.74 124.32 2akl s LYS 70 Ca -0.11 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 2akl s LYS 70 Cb -0.14 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.80 2akl s LYS 70 CO 0.04 0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.15 2akl n GLY 71 N 3.27 3.05 3.56 5.54 0.00 -1.26 -5.01 105.19 114.34 2akl n GLY 71 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 0.21 4.14 -0.06 1.61 0.01 -1.26 -5.00 113.70 113.36 2akl s SER 72 Ca 0.00 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.63 2akl s SER 72 Cb 0.00 -0.65 0.21 0.00 0.21 0.00 0.00 66.02 65.79 2akl s SER 72 CO 0.00 0.08 0.86 -1.20 0.41 0.00 0.00 173.24 173.39 2akl n SER 73 N -0.17 2.11 -4.70 2.44 7.64 -1.26 -4.71 113.62 114.96 2akl n SER 73 Ca -0.10 -2.22 -0.29 0.00 1.01 0.00 0.00 58.87 57.28 2akl n SER 73 Cb 0.57 -0.50 0.12 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.75 2.47 -0.29 -3.43 2.01 -1.26 -5.06 118.68 112.36 2akl s LEU 74 Ca 0.14 0.68 -0.08 0.00 0.01 0.00 0.00 54.13 54.88 2akl s LEU 74 Cb 0.10 -3.05 0.13 0.00 0.01 0.00 0.00 46.19 43.39 2akl s LEU 74 CO 0.05 -2.19 0.62 -0.69 1.01 0.00 0.00 176.35 175.15 2akl s VAL 75 N -3.61 -0.97 -0.76 -1.59 1.01 -1.26 -3.76 120.40 109.46 2akl s VAL 75 Ca 0.65 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.45 2akl s VAL 75 Cb -0.10 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.43 2akl s VAL 75 CO 0.50 0.00 0.92 -0.69 0.00 0.00 0.00 175.10 175.84 2akl s VAL 76 N 2.87 4.78 0.03 2.92 1.01 0.19 -4.98 120.40 127.23 2akl s VAL 76 Ca -0.02 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.74 2akl s VAL 76 Cb -0.12 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2akl s VAL 76 CO -0.19 -1.32 -0.03 -1.59 0.00 0.00 0.00 175.10 171.97 2akl s LYS 77 N 2.66 2.61 -0.86 2.72 0.00 -1.26 0.43 119.74 126.03 2akl s LYS 77 Ca 0.22 -0.74 -0.25 0.00 0.00 0.00 0.00 55.97 55.20 2akl s LYS 77 Cb -0.14 -2.56 -0.20 0.00 0.00 0.00 0.00 37.83 34.93 2akl s LYS 77 CO -0.01 0.59 2.50 1.55 0.00 0.00 0.00 175.35 179.98 2akl n VAL 78 N 1.16 -0.02 0.00 1.79 3.14 -1.12 0.18 118.33 123.46 2akl n VAL 78 Ca -0.14 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 2akl n VAL 78 Cb 0.52 -1.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 6.22 0.06 3.57 7.55 0.00 0.16 -4.94 105.19 117.81 2akl n GLY 79 Ca 0.58 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.00 3.09 -0.34 2.61 2.01 0.13 -4.83 115.64 117.31 2akl s THR 80 Ca 0.00 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 2akl s THR 80 Cb 0.00 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 2akl s THR 80 CO 0.00 -0.14 0.63 -0.75 -0.69 0.00 0.00 174.62 173.67 2akl s LYS 81 N 7.23 3.75 -0.17 4.92 2.36 -1.26 -2.98 119.74 133.59 2akl s LYS 81 Ca 0.94 0.13 -0.01 0.00 -2.55 0.00 0.00 55.97 54.47 2akl s LYS 81 Cb -0.23 -3.78 0.05 0.00 -1.05 0.00 0.00 37.83 32.82 2akl s LYS 81 CO 0.29 -0.68 -0.01 0.08 1.55 0.00 0.00 175.35 176.59 2akl s VAL 82 N 2.66 0.80 0.32 4.02 1.01 -0.71 -4.99 120.40 123.52 2akl s VAL 82 Ca 0.24 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2akl s VAL 82 Cb -0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2akl s VAL 82 CO 0.14 -0.01 0.22 -1.59 0.00 0.00 0.00 175.10 173.87 2akl s LYS 83 N 1.75 2.64 -0.65 2.72 -2.85 -1.26 -0.53 119.74 121.56 2akl s LYS 83 Ca 0.00 -1.33 -0.03 0.00 -1.00 0.00 0.00 55.97 53.61 2akl s LYS 83 Cb -0.16 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.22 2akl s LYS 83 CO -0.07 0.16 0.56 0.09 0.10 0.00 0.00 175.35 176.19 2akl n ASN 84 N -1.26 -3.71 -3.93 0.03 3.02 0.11 -4.58 115.26 104.93 2akl n ASN 84 Ca -0.03 -0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 53.95 2akl n ASN 84 Cb 0.60 -2.72 0.25 0.00 -0.61 0.00 0.00 39.78 37.30 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 -3.16 1.60 -0.10 2.41 -4.36 -1.14 -4.27 121.20 112.19 2akl s ILE 85 Ca 0.23 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.63 2akl s ILE 85 Cb -0.10 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2akl s ILE 85 CO 0.36 0.00 -0.14 -0.60 0.24 0.00 0.00 174.94 174.80 2akl s ARG 86 N -5.06 2.00 -0.29 0.37 6.06 0.25 -1.04 118.95 121.24 2akl s ARG 86 Ca 0.69 -0.49 -0.28 0.00 -2.50 0.00 0.00 55.73 53.16 2akl s ARG 86 Cb -0.15 -1.72 0.01 0.00 0.06 0.00 0.00 34.95 33.15 2akl s ARG 86 CO 0.59 -0.06 1.00 -0.51 -2.50 0.00 0.00 175.30 173.82 2akl s LEU 87 N 0.98 4.01 0.85 -0.88 1.43 -1.26 -1.30 118.68 122.51 2akl s LEU 87 Ca -0.08 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2akl s LEU 87 Cb -0.15 -3.43 0.17 0.00 0.03 0.00 0.00 46.19 42.80 2akl s LEU 87 CO -0.01 -0.77 1.17 -0.69 0.23 0.00 0.00 176.35 176.29 2akl s VAL 88 N 3.38 2.06 -1.08 -1.59 1.01 -1.08 -4.97 120.40 118.13 2akl s VAL 88 Ca 0.42 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2akl s VAL 88 Cb -0.13 -2.78 0.15 0.00 0.00 0.00 0.00 36.38 33.62 2akl s VAL 88 CO 0.12 0.00 1.29 -0.62 0.00 0.00 0.00 175.10 175.89 2akl s ASP 89 N -4.82 6.88 0.00 3.32 2.15 -1.26 -4.63 116.67 118.30 2akl s ASP 89 Ca 0.70 -2.58 0.00 0.00 0.43 0.00 0.00 52.55 51.10 2akl s ASP 89 Cb -0.04 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2akl s ASP 89 CO 0.49 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 2akl n GLY 90 N 4.70 3.94 0.25 2.66 0.00 -0.08 -5.01 105.19 111.64 2akl n GLY 90 Ca 0.31 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 46.18 2akl n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2akl h ASP 91 N 0.00 0.00 -1.88 1.61 1.82 -1.87 -3.05 116.42 113.05 2akl h ASP 91 Ca 0.00 0.00 -0.72 0.00 -0.39 0.00 0.00 57.03 55.92 2akl h ASP 91 Cb 0.00 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 39.69 2akl h ASP 91 CO 0.00 0.00 0.50 0.00 -1.61 0.00 0.00 179.24 178.13 2akl n HIS 92 N -3.03 3.12 -3.35 0.28 1.44 -1.26 -4.09 115.22 108.33 2akl n HIS 92 Ca 0.02 -2.60 -0.14 0.00 -2.01 0.00 0.00 57.72 52.98 2akl n HIS 92 Cb 0.37 -0.85 -0.07 0.00 0.12 0.00 0.00 29.99 29.56 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2akl s ASP 93 N -1.86 0.91 -0.25 4.39 1.01 -1.15 -4.67 116.67 115.04 2akl s ASP 93 Ca 0.50 -1.21 -0.02 0.00 0.71 0.00 0.00 52.55 52.53 2akl s ASP 93 Cb 0.41 0.75 0.02 0.00 1.01 0.00 0.00 42.92 45.11 2akl s ASP 93 CO -0.33 -0.29 -0.05 -0.63 0.21 0.00 0.00 175.17 174.08 2akl s ILE 94 N 1.77 2.99 -0.12 0.77 1.01 -1.15 -2.63 121.20 123.84 2akl s ILE 94 Ca 0.15 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2akl s ILE 94 Cb -0.14 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2akl s ILE 94 CO -0.12 0.21 0.28 -0.62 0.00 0.00 0.00 174.94 174.69 2akl s ASP 95 N 1.35 6.50 -0.04 3.58 -1.08 -0.42 -1.63 116.67 124.94 2akl s ASP 95 Ca 0.01 0.59 0.03 0.00 -0.52 0.00 0.00 52.55 52.66 2akl s ASP 95 Cb -0.16 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 2akl s ASP 95 CO -0.04 0.21 -0.12 0.00 0.52 0.00 0.00 175.17 175.74 2akl s LYS 97 N 0.21 3.08 -0.31 0.00 2.36 -1.26 -0.81 119.74 123.00 2akl s LYS 97 Ca -0.05 -0.93 -0.02 0.00 -2.55 0.00 0.00 55.97 52.43 2akl s LYS 97 Cb -0.10 -3.86 0.06 0.00 -1.05 0.00 0.00 37.83 32.88 2akl s LYS 97 CO 0.01 -0.65 0.02 0.42 1.55 0.00 0.00 175.35 176.71 2akl s ILE 98 N 1.66 2.99 -0.56 5.43 1.01 0.87 -4.75 121.20 127.84 2akl s ILE 98 Ca 0.05 -1.50 -0.27 0.00 0.00 0.00 0.00 60.65 58.93 2akl s ILE 98 Cb -0.19 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2akl s ILE 98 CO 0.09 -0.19 1.89 -1.81 0.00 0.00 0.00 174.94 174.93 2akl s ASP 99 N 1.30 5.29 0.00 3.58 1.01 -1.26 -0.98 116.67 125.62 2akl s ASP 99 Ca -0.03 0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.76 2akl s ASP 99 Cb -0.20 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2akl s ASP 99 CO -0.02 -2.32 0.00 0.61 0.21 0.00 0.00 175.17 173.65 2akl n GLY 100 N 5.68 3.01 0.00 0.21 0.00 -1.26 -4.94 105.19 107.89 2akl n GLY 100 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.06 -5.16 119.36 107.17 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 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 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 2.39 0.63 3.87 3.28 0.00 -0.15 -5.04 105.19 110.17 2akl n GLY 102 Ca 0.00 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.17 3.60 0.08 4.61 0.00 -1.26 -0.09 121.76 127.53 2akl s ALA 103 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2akl s ALA 103 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2akl s ALA 103 CO 0.00 0.51 -0.07 1.41 0.00 0.00 0.00 175.76 177.62 2akl s MET 104 N -2.55 0.73 -0.08 0.00 0.00 0.01 -4.93 119.30 112.46 2akl s MET 104 Ca 0.44 -1.16 -0.06 0.00 0.00 0.00 0.00 55.69 54.90 2akl s MET 104 Cb -0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.48 2akl s MET 104 CO 0.21 -0.01 0.16 -1.59 0.00 0.00 0.00 175.02 173.79 2akl s LYS 105 N -3.22 3.45 -0.02 4.11 0.00 -1.26 -1.57 119.74 121.23 2akl s LYS 105 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 55.97 55.87 2akl s LYS 105 Cb 0.01 -3.16 -0.00 0.00 0.00 0.00 0.00 37.83 34.68 2akl s LYS 105 CO -0.04 0.75 -0.09 -0.51 0.00 0.00 0.00 175.35 175.46 2akl s LEU 106 N -1.30 1.91 -0.11 2.77 1.43 -0.64 -5.01 118.68 117.73 2akl s LEU 106 Ca 0.19 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 2akl s LEU 106 Cb -0.12 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2akl s LEU 106 CO 0.09 0.09 0.92 -0.54 0.23 0.00 0.00 176.35 177.14 2akl s LYS 107 N -0.03 4.40 0.29 1.70 1.02 -1.26 -2.96 119.74 122.90 2akl s LYS 107 Ca 0.01 1.23 0.04 0.00 0.02 0.00 0.00 55.97 57.27 2akl s LYS 107 Cb -0.06 -3.53 0.73 0.00 -0.52 0.00 0.00 37.83 34.44 2akl s LYS 107 CO -0.00 -0.26 1.70 1.03 -0.92 0.00 0.00 175.35 176.90 2akl h SER 108 N 7.10 0.34 0.24 2.83 0.87 -1.83 0.44 113.55 123.54 2akl h SER 108 Ca -0.32 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2akl h SER 108 Cb 1.15 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2akl h SER 108 CO 0.83 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.51 2akl n GLU 109 N -5.04 0.07 -0.02 2.24 1.02 -1.26 -1.31 120.64 116.34 2akl n GLU 109 Ca 0.22 0.27 0.02 0.00 -0.02 0.00 0.00 57.16 57.65 2akl n GLU 109 Cb 0.65 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.39 0.05 -4.08 -0.32 3.72 0.14 -4.56 117.46 111.01 2akl n PHE 110 Ca 0.03 -0.12 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 2akl n PHE 110 Cb 0.09 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.55 2.32 -0.16 -4.37 -7.23 -0.78 -0.87 120.40 108.77 2akl s VAL 111 Ca 0.07 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 2akl s VAL 111 Cb 0.04 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 34.05 2akl s VAL 111 CO 0.06 0.00 0.39 -0.60 -0.31 0.00 0.00 175.10 174.64 2akl s ARG 112 N -3.93 0.38 -0.10 4.82 3.52 0.18 -1.00 118.95 122.82 2akl s ARG 112 Ca 0.41 0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 56.44 2akl s ARG 112 Cb 0.03 -0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.39 2akl s ARG 112 CO 0.23 -0.15 1.20 0.21 -0.81 0.00 0.00 175.30 175.98 2akl s LYS 113 N 1.23 4.32 0.05 5.12 2.20 -1.26 0.56 119.74 131.96 2akl s LYS 113 Ca -0.08 1.63 -0.16 0.00 -0.36 0.00 0.00 55.97 57.00 2akl s LYS 113 Cb -0.08 -3.61 -0.24 0.00 -1.51 0.00 0.00 37.83 32.39 2akl s LYS 113 CO -0.11 -0.51 1.15 0.28 -0.36 0.00 0.00 175.35 175.80 2akl h VAL 114 N 5.16 1.33 0.00 4.02 2.07 -1.55 -3.47 116.25 123.81 2akl h VAL 114 Ca -0.31 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 64.98 2akl h VAL 114 Cb 1.14 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2akl h VAL 114 CO 0.91 0.67 0.00 0.61 0.02 0.00 0.00 177.57 179.78 2akl n GLY 115 N 1.13 0.58 0.00 2.17 0.00 -1.25 -5.05 105.19 102.77 2akl n GLY 115 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76