#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 4.90 -4.60 3.17 0.31 -1.26 -4.91 118.33 115.94 2akl n VAL 2 Ca 0.00 -3.77 -0.23 0.00 -0.01 0.00 0.00 64.34 60.33 2akl n VAL 2 Cb 0.00 -2.26 -0.14 0.00 -0.91 0.00 0.00 33.84 30.52 2akl n VAL 2 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2akl s SER 3 N 0.99 1.85 -0.09 4.52 0.01 -1.26 -5.00 113.70 114.73 2akl s SER 3 Ca 0.58 -0.36 0.20 0.00 1.31 0.00 0.00 55.95 57.68 2akl s SER 3 Cb 0.18 -0.17 0.43 0.00 0.21 0.00 0.00 66.02 66.66 2akl s SER 3 CO -0.08 0.14 1.19 1.07 0.41 0.00 0.00 173.24 175.97 2akl n THR 4 N 2.35 0.85 -1.47 1.44 5.66 -1.26 -5.10 114.28 116.75 2akl n THR 4 Ca -0.16 -1.89 -0.31 0.00 -3.05 0.00 0.00 64.05 58.64 2akl n THR 4 Cb 0.55 0.54 0.07 0.00 -1.55 0.00 0.00 70.33 69.93 2akl n THR 4 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2akl s LEU 5 N -1.30 2.97 0.91 1.09 1.43 -1.26 -5.02 118.68 117.51 2akl s LEU 5 Ca 0.35 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 2akl s LEU 5 Cb 0.38 -4.38 0.14 0.00 0.03 0.00 0.00 46.19 42.36 2akl s LEU 5 CO -0.13 -1.74 1.11 -2.16 0.23 0.00 0.00 176.35 173.66 2akl s PRO 6 N -5.02 1.07 0.09 1.29 0.04 -1.26 -4.98 135.00 126.22 2akl s PRO 6 Ca 0.60 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2akl s PRO 6 Cb -0.15 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.66 2akl s PRO 6 CO 0.55 -2.52 0.08 -2.30 0.04 0.00 0.00 177.00 172.85 2akl n PRO 7 N -4.13 -1.10 -3.57 0.56 -0.02 -1.26 -4.79 135.00 120.68 2akl n PRO 7 Ca 0.10 -0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.08 2akl n PRO 7 Cb 0.53 -0.12 -0.09 0.00 -0.02 0.00 0.00 33.50 33.80 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 4.57 0.45 -0.00 0.00 -0.04 -1.26 0.52 135.00 139.24 2akl n PRO 9 Ca -0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2akl n PRO 9 Cb 0.52 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.49 -0.06 0.54 6.02 -1.26 -4.88 117.38 118.68 2akl n GLN 10 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.88 2akl n GLN 10 Cb 0.00 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 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 -3.36 -2.34 0.27 0.00 5.15 0.18 -4.88 115.26 110.28 2akl n ASN 12 Ca -0.24 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.85 2akl n ASN 12 Cb 0.69 -1.24 0.73 0.00 -0.53 0.00 0.00 39.78 39.43 2akl n ASN 12 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2akl h SER 13 N 0.00 0.00 -0.03 1.20 0.02 -1.95 -3.44 113.55 109.35 2akl h SER 13 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2akl h SER 13 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2akl h SER 13 CO 0.00 0.05 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.11 2akl n GLU 14 N -4.11 -0.18 -0.92 3.45 1.02 -1.26 -4.89 120.64 113.75 2akl n GLU 14 Ca -0.03 0.23 -0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2akl n GLU 14 Cb 0.14 -3.54 -0.12 0.00 -0.02 0.00 0.00 31.44 27.90 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 -2.92 0.16 -3.86 -0.32 4.01 -1.26 -4.88 117.16 108.09 2akl n TYR 15 Ca -0.01 -1.43 -0.33 0.00 -0.16 0.00 0.00 57.90 55.97 2akl n TYR 15 Cb 0.06 -1.32 -0.05 0.00 -0.31 0.00 0.00 39.34 37.72 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 0.45 5.38 0.28 -0.72 2.01 -1.26 -4.19 115.64 117.59 2akl s THR 16 Ca 0.50 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 2akl s THR 16 Cb 0.25 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2akl s THR 16 CO -0.02 0.26 0.42 -0.72 -0.69 0.00 0.00 174.62 173.88 2akl s TYR 17 N -1.39 0.82 -0.33 4.92 1.13 -1.15 -4.85 117.35 116.50 2akl s TYR 17 Ca 0.30 -1.10 -0.12 0.00 -1.41 0.00 0.00 57.07 54.74 2akl s TYR 17 Cb -0.13 -0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.65 2akl s TYR 17 CO 0.21 -1.00 0.22 -1.83 -2.51 0.00 0.00 175.55 170.64 2akl s GLU 18 N -3.59 3.54 -0.35 -3.49 1.03 -1.26 -1.62 118.70 112.96 2akl s GLU 18 Ca 0.29 -0.61 0.05 0.00 0.03 0.00 0.00 54.97 54.73 2akl s GLU 18 Cb 0.01 -3.76 0.59 0.00 -0.80 0.00 0.00 34.13 30.17 2akl s GLU 18 CO 0.15 -0.40 1.74 -3.47 -1.33 0.00 0.00 175.26 171.95 2akl n ASP 19 N 5.09 3.88 0.00 0.83 2.03 -1.15 -4.96 116.55 122.27 2akl n ASP 19 Ca -0.13 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 51.91 2akl n ASP 19 Cb 0.50 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.65 1.16 1.16 0.27 0.00 -1.26 -4.80 105.19 101.07 2akl n GLY 20 Ca 0.46 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.97 3.06 -3.54 4.61 0.00 -1.26 -4.98 120.51 117.43 2akl n ALA 21 Ca 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 53.44 51.48 2akl n ALA 21 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 0.12 0.00 -4.54 0.00 -0.00 -1.26 -5.00 117.00 106.32 2akl n LEU 22 Ca 0.22 -1.74 -0.34 0.00 -0.00 0.00 0.00 56.01 54.15 2akl n LEU 22 Cb 0.88 2.58 -0.12 0.00 -0.00 0.00 0.00 43.42 46.76 2akl n LEU 22 CO 0.19 -0.58 -0.37 -0.76 -0.00 0.00 0.00 177.39 175.87 2akl s LEU 23 N 0.00 3.19 -0.01 1.47 1.43 -0.77 -2.92 118.68 121.07 2akl s LEU 23 Ca 0.11 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2akl s LEU 23 Cb -0.03 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 2akl s LEU 23 CO 0.08 0.27 -0.19 0.68 0.23 0.00 0.00 176.35 177.42 2akl s VAL 24 N -0.24 1.47 -0.44 -1.59 -7.23 -0.64 -0.34 120.40 111.39 2akl s VAL 24 Ca 0.04 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.25 2akl s VAL 24 Cb -0.13 -1.23 0.06 0.00 0.56 0.00 0.00 36.38 35.65 2akl s VAL 24 CO 0.02 0.39 0.33 0.00 -0.31 0.00 0.00 175.10 175.53 2akl n PRO 26 N 5.10 0.17 0.11 0.00 -0.04 -1.26 -1.52 135.00 137.55 2akl n PRO 26 Ca -0.12 0.52 -0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2akl n PRO 26 Cb 0.44 -1.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.37 -0.71 0.54 4.81 -1.92 -3.35 114.58 113.59 2akl h GLU 27 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2akl h GLU 27 Cb 0.19 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2akl h GLU 27 CO 0.00 -0.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.08 2akl n ALA 29 N 1.58 -1.30 -3.73 0.00 0.00 -0.58 -5.00 120.51 111.48 2akl n ALA 29 Ca 0.24 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.90 2akl n ALA 29 Cb 0.61 -5.44 -0.17 0.00 0.00 0.00 0.00 19.45 14.46 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 -3.31 0.11 0.32 0.00 5.04 -1.16 -5.01 115.29 111.27 2akl s HIS 30 Ca 0.59 0.13 0.06 0.00 -1.54 0.00 0.00 55.06 54.31 2akl s HIS 30 Cb -0.26 -0.36 -0.01 0.00 0.04 0.00 0.00 32.58 31.99 2akl s HIS 30 CO 0.72 -0.13 0.44 -1.83 -2.34 0.00 0.00 174.74 171.61 2akl s GLU 31 N 1.42 3.12 0.10 2.88 4.04 -1.26 -2.07 118.70 126.93 2akl s GLU 31 Ca -0.05 -1.01 -0.26 0.00 0.04 0.00 0.00 54.97 53.70 2akl s GLU 31 Cb -0.13 -2.80 0.08 0.00 0.02 0.00 0.00 34.13 31.30 2akl s GLU 31 CO -0.03 0.11 0.78 1.67 -1.84 0.00 0.00 175.26 175.95 2akl s TRP 32 N -2.16 -0.37 -0.23 4.83 1.48 0.54 -4.97 118.94 118.05 2akl s TRP 32 Ca 0.44 0.17 -0.08 0.00 -1.06 0.00 0.00 56.10 55.56 2akl s TRP 32 Cb -0.09 0.57 -0.04 0.00 -1.16 0.00 0.00 33.47 32.76 2akl s TRP 32 CO 0.31 -0.74 0.08 0.45 -4.06 0.00 0.00 176.95 172.98 2akl s SER 33 N -2.67 5.39 0.36 -2.66 0.15 -1.26 -1.84 113.70 111.16 2akl s SER 33 Ca 0.05 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 56.67 2akl s SER 33 Cb -0.01 -1.96 0.75 0.00 -1.71 0.00 0.00 66.02 63.09 2akl s SER 33 CO -0.08 0.03 1.94 1.55 1.20 0.00 0.00 173.24 177.88 2akl h PRO 34 N 7.75 0.73 0.00 5.44 0.13 -1.97 -1.81 132.00 142.27 2akl h PRO 34 Ca -0.37 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.39 2akl h PRO 34 Cb 1.18 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.09 2akl h PRO 34 CO 0.61 0.48 -2.18 0.09 -0.23 0.00 0.00 178.00 176.78 2akl n ASN 35 N -4.49 2.08 0.24 1.44 4.13 -1.26 -4.46 115.26 112.93 2akl n ASN 35 Ca 0.12 0.04 0.09 0.00 1.68 0.00 0.00 54.58 56.50 2akl n ASN 35 Cb 0.28 -0.44 0.60 0.00 -1.54 0.00 0.00 39.78 38.67 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2akl h GLU 36 N -0.30 0.00 -0.58 3.52 4.81 -1.63 -0.82 114.58 119.58 2akl h GLU 36 Ca -0.49 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 2akl h GLU 36 Cb 1.62 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 2akl h GLU 36 CO -0.17 0.17 0.02 0.00 -0.73 0.00 0.00 179.01 178.30 2akl h ALA 37 N 1.83 0.93 0.09 2.92 0.00 -1.56 -3.23 119.26 120.23 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 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2akl h ALA 37 CO 0.02 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 2akl h ALA 38 N 1.08 -0.13 -2.43 0.00 0.00 -1.47 -3.47 119.26 112.85 2akl h ALA 38 Ca 0.17 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2akl h ALA 38 Cb 0.51 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.14 2akl h ALA 38 CO 0.02 -0.23 -0.14 0.99 0.00 0.00 0.00 179.25 179.89 2akl s THR 39 N -3.36 0.03 0.00 0.00 2.01 -0.43 -5.02 115.64 108.87 2akl s THR 39 Ca -0.14 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2akl s THR 39 Cb 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.80 2akl s THR 39 CO 0.54 -0.13 0.51 0.00 -0.69 0.00 0.00 174.62 174.85 2akl n ALA 40 N 1.62 1.10 0.67 7.40 0.00 -1.25 -3.69 120.51 126.37 2akl n ALA 40 Ca -0.19 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 52.86 2akl n ALA 40 Cb 0.56 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 2akl n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2akl n SER 41 N -0.09 3.18 -4.88 0.00 2.88 -1.26 -4.94 113.62 108.50 2akl n SER 41 Ca 0.00 -1.98 -0.21 0.00 -1.33 0.00 0.00 58.87 55.35 2akl n SER 41 Cb 0.38 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 2akl n SER 41 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2akl s ASP 42 N -1.74 5.37 -0.08 -3.46 -4.77 -1.26 -5.05 116.67 105.68 2akl s ASP 42 Ca 0.32 -0.47 -0.03 0.00 -3.30 0.00 0.00 52.55 49.07 2akl s ASP 42 Cb 0.21 -0.97 -0.04 0.00 -1.09 0.00 0.00 42.92 41.03 2akl s ASP 42 CO 0.30 -0.39 -0.10 -0.67 0.70 0.00 0.00 175.17 175.01 2akl n ASP 43 N -1.43 1.23 0.00 2.11 -0.08 -1.26 -5.04 116.55 112.08 2akl n ASP 43 Ca -0.01 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2akl n ASP 43 Cb 0.60 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.84 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 2.64 2.67 0.09 0.27 0.00 -1.26 -4.64 105.19 104.95 2akl n GLY 44 Ca -0.16 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 2akl n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2akl n LYS 45 N 0.00 0.73 -4.39 1.61 2.85 -1.26 -4.64 118.16 113.06 2akl n LYS 45 Ca 0.00 -0.03 -0.26 0.00 -1.05 0.00 0.00 58.31 56.97 2akl n LYS 45 Cb 0.00 -1.51 -0.12 0.00 -0.65 0.00 0.00 35.03 32.75 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2akl s VAL 46 N -2.61 2.18 -0.04 0.58 1.01 -1.26 -4.88 120.40 115.37 2akl s VAL 46 Ca -0.10 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 2akl s VAL 46 Cb 0.07 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2akl s VAL 46 CO 0.83 -0.15 0.48 -0.63 0.00 0.00 0.00 175.10 175.63 2akl s ILE 47 N -1.70 5.04 0.20 2.22 -1.09 -1.26 -4.54 121.20 120.06 2akl s ILE 47 Ca 0.18 0.98 0.11 0.00 -2.23 0.00 0.00 60.65 59.69 2akl s ILE 47 Cb -0.08 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2akl s ILE 47 CO 0.08 0.45 -0.22 -0.75 -1.23 0.00 0.00 174.94 173.27 2akl s LYS 48 N -0.27 1.48 0.68 2.79 2.20 -1.26 -2.57 119.74 122.79 2akl s LYS 48 Ca 0.26 -1.52 0.01 0.00 -0.36 0.00 0.00 55.97 54.35 2akl s LYS 48 Cb -0.17 -1.73 0.11 0.00 -1.51 0.00 0.00 37.83 34.54 2akl s LYS 48 CO 0.13 0.36 0.94 -0.51 -0.36 0.00 0.00 175.35 175.92 2akl s ASP 49 N -2.75 4.55 0.00 1.43 1.01 0.62 -4.46 116.67 117.07 2akl s ASP 49 Ca 0.21 -0.37 0.28 0.00 0.71 0.00 0.00 52.55 53.37 2akl s ASP 49 Cb -0.07 -0.09 1.35 0.00 1.01 0.00 0.00 42.92 45.11 2akl s ASP 49 CO 0.10 -1.71 1.95 -0.24 0.21 0.00 0.00 175.17 175.48 2akl n SER 50 N -2.70 0.00 0.05 0.27 2.88 -0.95 -2.46 113.62 110.71 2akl n SER 50 Ca 0.14 0.12 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 2akl n SER 50 Cb 0.61 -0.37 0.09 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.37 0.30 -0.15 2.46 0.31 -1.26 -4.94 118.33 113.68 2akl n VAL 51 Ca 0.11 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2akl n VAL 51 Cb 0.27 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.33 0.59 3.90 2.92 0.00 -1.03 -5.07 105.19 107.83 2akl n GLY 52 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2akl n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2akl s ASN 53 N -2.96 5.83 -0.10 1.61 0.01 -1.26 -4.76 114.94 113.30 2akl s ASN 53 Ca 0.00 1.02 0.03 0.00 -0.71 0.00 0.00 52.86 53.20 2akl s ASN 53 Cb 0.00 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.61 2akl s ASN 53 CO 0.00 -0.99 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.70 2akl s VAL 54 N -3.08 2.36 0.60 1.60 1.01 -1.26 -0.27 120.40 121.36 2akl s VAL 54 Ca 0.54 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2akl s VAL 54 Cb -0.11 -1.93 0.07 0.00 0.00 0.00 0.00 36.38 34.41 2akl s VAL 54 CO 0.49 0.55 0.84 -0.76 0.00 0.00 0.00 175.10 176.21 2akl s LEU 55 N 0.28 3.18 0.10 3.92 2.01 -1.06 -5.02 118.68 122.09 2akl s LEU 55 Ca -0.15 -0.22 0.08 0.00 0.01 0.00 0.00 54.13 53.85 2akl s LEU 55 Cb -0.17 -2.47 -0.03 0.00 0.01 0.00 0.00 46.19 43.53 2akl s LEU 55 CO 0.07 -1.37 -0.19 -1.58 1.01 0.00 0.00 176.35 174.29 2akl s GLN 56 N -4.85 1.08 -0.61 1.70 0.74 -1.26 -4.79 119.66 111.67 2akl s GLN 56 Ca 0.60 -1.15 -0.26 0.00 0.05 0.00 0.00 55.36 54.60 2akl s GLN 56 Cb -0.08 -1.26 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 2akl s GLN 56 CO 0.40 0.29 2.00 0.34 -0.55 0.00 0.00 175.29 177.77 2akl s ASP 57 N -1.98 5.04 0.00 6.67 -1.08 -1.26 -0.93 116.67 123.13 2akl s ASP 57 Ca 0.06 0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 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 0.04 -2.55 0.00 0.61 0.52 0.00 0.00 175.17 173.79 2akl n GLY 58 N 5.87 1.26 3.67 2.66 0.00 -0.47 -4.91 105.19 113.27 2akl n GLY 58 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.36 2.68 -0.15 1.61 2.15 -0.11 -2.43 116.67 119.05 2akl s ASP 59 Ca 0.00 1.33 -0.05 0.00 0.43 0.00 0.00 52.55 54.26 2akl s ASP 59 Cb 0.00 -2.01 -0.03 0.00 -0.30 0.00 0.00 42.92 40.58 2akl s ASP 59 CO 0.00 -3.11 0.01 -0.89 -0.17 0.00 0.00 175.17 171.01 2akl s THR 60 N -2.89 4.34 0.32 1.71 2.01 -1.26 -0.60 115.64 119.27 2akl s THR 60 Ca 0.65 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2akl s THR 60 Cb -0.19 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 2akl s THR 60 CO 0.58 0.50 0.04 0.27 -0.69 0.00 0.00 174.62 175.32 2akl s ILE 61 N 0.15 1.28 -0.17 1.82 -5.25 0.58 -1.59 121.20 118.01 2akl s ILE 61 Ca 0.02 -2.02 -0.07 0.00 -0.99 0.00 0.00 60.65 57.59 2akl s ILE 61 Cb -0.13 -2.74 0.08 0.00 2.95 0.00 0.00 42.46 42.62 2akl s ILE 61 CO 0.02 -0.06 0.37 -0.89 -1.79 0.00 0.00 174.94 172.60 2akl s THR 62 N -3.24 -0.49 0.21 8.37 2.01 0.15 -1.63 115.64 121.02 2akl s THR 62 Ca 0.35 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 2akl s THR 62 Cb 0.08 -0.60 -0.11 0.00 0.01 0.00 0.00 72.50 71.88 2akl s THR 62 CO 0.15 0.08 1.64 0.54 -0.69 0.00 0.00 174.62 176.33 2akl s VAL 63 N 2.36 2.27 -1.98 3.82 0.11 -1.15 -0.08 120.40 125.75 2akl s VAL 63 Ca -0.02 0.20 0.17 0.00 -2.93 0.00 0.00 61.98 59.40 2akl s VAL 63 Cb -0.11 -3.13 0.50 0.00 -1.53 0.00 0.00 36.38 32.10 2akl s VAL 63 CO -0.12 0.02 1.41 2.30 -3.33 0.00 0.00 175.10 175.39 2akl n ILE 64 N 3.62 0.77 -4.19 7.04 -0.00 -0.39 -0.68 119.36 125.53 2akl n ILE 64 Ca 0.14 -0.75 -0.11 0.00 -0.00 0.00 0.00 62.75 62.02 2akl n ILE 64 Cb 0.37 0.36 -0.10 0.00 -0.00 0.00 0.00 39.64 40.27 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 -1.27 1.09 -0.45 6.28 -0.14 -1.26 -4.73 119.74 119.27 2akl s LYS 65 Ca 0.37 -1.55 -0.22 0.00 -1.36 0.00 0.00 55.97 53.21 2akl s LYS 65 Cb 0.20 0.18 0.03 0.00 -1.68 0.00 0.00 37.83 36.55 2akl s LYS 65 CO 0.25 -0.31 0.75 0.16 -0.76 0.00 0.00 175.35 175.44 2akl s ASP 66 N -3.13 6.38 -0.03 2.83 -4.77 -1.26 -2.34 116.67 114.36 2akl s ASP 66 Ca 0.32 -0.19 0.06 0.00 -3.30 0.00 0.00 52.55 49.43 2akl s ASP 66 Cb 0.07 -2.37 -0.01 0.00 -1.09 0.00 0.00 42.92 39.52 2akl s ASP 66 CO 0.07 -0.89 -0.21 -0.76 0.70 0.00 0.00 175.17 174.09 2akl s LEU 67 N 3.17 2.02 0.64 2.11 1.02 0.15 -5.02 118.68 122.77 2akl s LEU 67 Ca 0.28 -0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.09 2akl s LEU 67 Cb -0.13 -1.09 0.10 0.00 0.02 0.00 0.00 46.19 45.10 2akl s LEU 67 CO 0.21 0.23 0.88 -1.59 0.02 0.00 0.00 176.35 176.11 2akl s LYS 68 N -0.35 2.03 -0.11 1.70 -2.85 -1.26 0.45 119.74 119.34 2akl s LYS 68 Ca 0.04 -1.36 -0.00 0.00 -1.00 0.00 0.00 55.97 53.65 2akl s LYS 68 Cb -0.09 -2.50 0.02 0.00 -2.06 0.00 0.00 37.83 33.20 2akl s LYS 68 CO 0.00 -1.12 -0.09 0.08 0.10 0.00 0.00 175.35 174.33 2akl s VAL 69 N -2.88 1.10 0.02 1.79 1.01 -1.23 -4.66 120.40 115.55 2akl s VAL 69 Ca 0.64 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2akl s VAL 69 Cb -0.06 -1.10 -0.25 0.00 0.00 0.00 0.00 36.38 34.98 2akl s VAL 69 CO 0.41 0.38 0.91 0.07 0.00 0.00 0.00 175.10 176.87 2akl h LYS 70 N 8.04 0.12 0.00 2.72 5.09 -1.99 -3.32 116.57 127.22 2akl h LYS 70 Ca -0.31 -0.20 -0.18 0.00 0.09 0.00 0.00 60.65 60.05 2akl h LYS 70 Cb 1.14 0.07 -0.03 0.00 0.10 0.00 0.00 32.23 33.51 2akl h LYS 70 CO 0.43 0.92 -1.19 0.78 -2.09 0.00 0.00 179.45 178.30 2akl h GLY 71 N 2.50 0.00 -2.44 0.07 0.00 -1.96 -3.47 103.07 97.77 2akl h GLY 71 Ca -0.19 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.60 2akl h GLY 71 CO 0.13 0.00 -0.54 -0.56 0.00 0.00 0.00 176.54 175.57 2akl s SER 72 N -6.11 4.84 0.00 0.19 0.01 -1.25 -4.99 113.70 106.39 2akl s SER 72 Ca -0.01 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2akl s SER 72 Cb 0.08 -0.85 0.28 0.00 0.21 0.00 0.00 66.02 65.74 2akl s SER 72 CO 0.80 -0.23 1.19 -1.20 0.41 0.00 0.00 173.24 174.21 2akl n SER 73 N -1.14 0.26 -4.60 2.44 7.64 -1.26 -4.66 113.62 112.30 2akl n SER 73 Ca -0.04 -1.87 -0.29 0.00 1.01 0.00 0.00 58.87 57.67 2akl n SER 73 Cb 0.60 -0.03 0.14 0.00 -1.01 0.00 0.00 64.21 63.92 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 -1.13 2.17 -0.29 -3.43 2.01 -1.26 -5.03 118.68 111.71 2akl s LEU 74 Ca 0.09 0.74 -0.04 0.00 0.01 0.00 0.00 54.13 54.93 2akl s LEU 74 Cb 0.04 -3.00 0.16 0.00 0.01 0.00 0.00 46.19 43.41 2akl s LEU 74 CO 0.07 -2.55 0.60 -0.69 1.01 0.00 0.00 176.35 174.79 2akl s VAL 75 N -3.46 -0.97 -0.72 -1.59 1.01 -1.26 -3.55 120.40 109.86 2akl s VAL 75 Ca 0.66 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 2akl s VAL 75 Cb -0.11 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.39 2akl s VAL 75 CO 0.52 -0.00 0.92 -0.69 0.00 0.00 0.00 175.10 175.85 2akl s VAL 76 N 2.85 4.64 0.05 2.92 1.01 0.17 -4.99 120.40 127.05 2akl s VAL 76 Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2akl s VAL 76 Cb -0.14 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 2akl s VAL 76 CO -0.20 -1.36 0.06 -1.59 0.00 0.00 0.00 175.10 172.01 2akl s LYS 77 N 3.10 2.86 -0.74 2.72 0.00 -1.26 0.35 119.74 126.77 2akl s LYS 77 Ca 0.22 -0.65 -0.25 0.00 0.00 0.00 0.00 55.97 55.28 2akl s LYS 77 Cb -0.15 -2.72 -0.15 0.00 0.00 0.00 0.00 37.83 34.80 2akl s LYS 77 CO 0.03 0.59 2.46 1.55 0.00 0.00 0.00 175.35 179.97 2akl n VAL 78 N 0.77 -0.04 0.00 1.79 3.14 -0.99 -0.07 118.33 122.94 2akl n VAL 78 Ca -0.11 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 2akl n VAL 78 Cb 0.52 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 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 6.24 -0.23 3.57 7.55 0.00 0.15 -4.94 105.19 117.52 2akl n GLY 79 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.69 3.16 -0.34 2.61 2.01 0.91 -4.85 115.64 118.44 2akl s THR 80 Ca 0.00 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.93 2akl s THR 80 Cb 0.00 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 2akl s THR 80 CO 0.00 -0.28 0.57 -0.75 -0.69 0.00 0.00 174.62 173.47 2akl s LYS 81 N 7.23 3.69 -0.18 4.92 2.20 -1.26 -2.93 119.74 133.40 2akl s LYS 81 Ca 0.89 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2akl s LYS 81 Cb -0.20 -3.79 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 2akl s LYS 81 CO 0.28 -0.66 -0.20 0.14 -0.36 0.00 0.00 175.35 174.55 2akl s VAL 82 N 2.52 2.06 0.05 4.02 -7.23 -0.65 -4.97 120.40 116.20 2akl s VAL 82 Ca 0.21 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 2akl s VAL 82 Cb -0.15 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2akl s VAL 82 CO 0.13 0.53 0.11 -1.59 -0.31 0.00 0.00 175.10 173.98 2akl s LYS 83 N 1.29 3.07 -0.55 4.82 -2.85 -1.26 -0.30 119.74 123.95 2akl s LYS 83 Ca 0.05 -0.57 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 2akl s LYS 83 Cb -0.13 -2.84 0.00 0.00 -2.06 0.00 0.00 37.83 32.80 2akl s LYS 83 CO -0.13 0.60 0.48 0.09 0.10 0.00 0.00 175.35 176.49 2akl n ASN 84 N 0.61 -3.26 -3.27 0.03 5.03 0.24 -4.78 115.26 109.85 2akl n ASN 84 Ca -0.09 -0.24 -0.25 0.00 0.87 0.00 0.00 54.58 54.87 2akl n ASN 84 Cb 0.52 -2.43 0.23 0.00 -1.02 0.00 0.00 39.78 37.08 2akl n ASN 84 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2akl n ILE 85 N -3.16 0.00 -4.19 2.41 -5.35 -1.06 -4.48 119.36 103.54 2akl n ILE 85 Ca -0.04 -0.18 -0.25 0.00 -0.27 0.00 0.00 62.75 62.01 2akl n ILE 85 Cb 0.54 -0.99 -0.17 0.00 -1.74 0.00 0.00 39.64 37.28 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 -4.89 1.52 -0.29 6.28 6.06 0.19 -1.37 118.95 126.44 2akl s ARG 86 Ca 0.58 -0.30 -0.27 0.00 -2.50 0.00 0.00 55.73 53.24 2akl s ARG 86 Cb -0.08 -1.44 0.01 0.00 0.06 0.00 0.00 34.95 33.50 2akl s ARG 86 CO 0.47 -0.14 0.95 -0.51 -2.50 0.00 0.00 175.30 173.57 2akl s LEU 87 N 1.24 4.02 0.58 -0.88 1.43 -1.26 -0.73 118.68 123.08 2akl s LEU 87 Ca -0.04 0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2akl s LEU 87 Cb -0.14 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.75 2akl s LEU 87 CO -0.03 -0.73 0.85 -0.69 0.23 0.00 0.00 176.35 175.99 2akl s VAL 88 N 3.28 3.18 -1.40 -1.59 1.01 -0.88 -4.94 120.40 119.06 2akl s VAL 88 Ca 0.40 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 2akl s VAL 88 Cb -0.14 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2akl s VAL 88 CO 0.12 -0.23 2.17 -0.67 0.00 0.00 0.00 175.10 176.50 2akl n ASP 89 N -2.51 3.84 -0.75 3.32 2.03 -1.26 -4.77 116.55 116.44 2akl n ASP 89 Ca 0.05 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.53 2akl n ASP 89 Cb 0.59 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 2akl n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 90 N 4.23 1.89 0.15 0.27 0.00 -1.26 -5.07 105.19 105.41 2akl n GLY 90 Ca 0.52 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.60 2.09 -3.16 1.61 2.03 -1.26 -4.66 116.55 112.59 2akl n ASP 91 Ca 0.00 -0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 2akl n ASP 91 Cb 0.00 -0.46 0.02 0.00 -0.72 0.00 0.00 41.12 39.96 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 -3.42 3.06 -3.50 -0.67 8.25 -1.26 -4.42 115.22 113.25 2akl n HIS 92 Ca -0.42 -2.68 -0.29 0.00 -0.26 0.00 0.00 57.72 54.07 2akl n HIS 92 Cb 0.90 -1.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.70 2.93 -0.25 0.41 1.11 -1.26 -4.51 116.67 113.40 2akl s ASP 93 Ca 0.46 -2.39 0.02 0.00 0.18 0.00 0.00 52.55 50.83 2akl s ASP 93 Cb 0.32 -0.53 0.06 0.00 1.07 0.00 0.00 42.92 43.83 2akl s ASP 93 CO -0.25 -0.28 -0.11 -0.63 1.18 0.00 0.00 175.17 175.08 2akl s ILE 94 N 0.79 2.05 -0.08 0.77 1.01 -1.19 -2.08 121.20 122.48 2akl s ILE 94 Ca 0.20 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.21 2akl s ILE 94 Cb -0.20 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 2akl s ILE 94 CO -0.02 0.02 0.36 -0.62 0.00 0.00 0.00 174.94 174.68 2akl s ASP 95 N 1.17 6.64 0.01 3.58 2.15 0.09 -1.32 116.67 128.98 2akl s ASP 95 Ca -0.07 0.76 0.02 0.00 0.43 0.00 0.00 52.55 53.69 2akl s ASP 95 Cb -0.19 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.20 2akl s ASP 95 CO -0.06 0.21 -0.08 0.00 -0.17 0.00 0.00 175.17 175.07 2akl s LYS 97 N -0.47 3.65 -0.28 0.00 1.02 -1.26 -0.02 119.74 122.37 2akl s LYS 97 Ca 0.01 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.52 2akl s LYS 97 Cb -0.04 -3.42 0.06 0.00 -0.52 0.00 0.00 37.83 33.91 2akl s LYS 97 CO -0.00 -0.22 -0.06 0.42 -0.92 0.00 0.00 175.35 174.56 2akl s ILE 98 N 1.64 2.38 0.06 2.17 1.01 0.13 -4.89 121.20 123.69 2akl s ILE 98 Ca 0.06 -1.66 -0.34 0.00 0.00 0.00 0.00 60.65 58.71 2akl s ILE 98 Cb -0.16 -2.43 -0.13 0.00 0.01 0.00 0.00 42.46 39.75 2akl s ILE 98 CO 0.05 -0.12 1.68 -0.67 0.00 0.00 0.00 174.94 175.88 2akl n ASP 99 N 4.46 3.12 0.00 3.58 2.03 -1.26 -1.30 116.55 127.18 2akl n ASP 99 Ca -0.12 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2akl n ASP 99 Cb 0.42 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2akl n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 100 N 3.74 3.39 0.05 0.27 0.00 -1.26 -4.81 105.19 106.57 2akl n GLY 100 Ca 0.19 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 0.58 0.00 -0.61 -5.35 -1.11 -5.14 119.36 107.73 2akl n ILE 101 Ca 0.00 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2akl n ILE 101 Cb 0.00 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 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 3.01 0.60 3.89 3.28 0.00 -0.42 -5.05 105.19 110.51 2akl n GLY 102 Ca -0.18 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.24 3.47 0.12 4.61 0.00 -1.26 0.19 121.76 127.66 2akl s ALA 103 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2akl s ALA 103 Cb 0.00 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 2akl s ALA 103 CO 0.00 0.09 0.23 1.41 0.00 0.00 0.00 175.76 177.48 2akl s MET 104 N -3.76 0.96 0.03 0.00 0.00 0.97 -4.90 119.30 112.60 2akl s MET 104 Ca 0.48 -1.04 0.03 0.00 0.00 0.00 0.00 55.69 55.16 2akl s MET 104 Cb -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 34.83 35.04 2akl s MET 104 CO 0.31 -0.32 0.01 0.15 0.00 0.00 0.00 175.02 175.17 2akl s LYS 105 N -3.90 2.74 0.01 4.11 3.01 -1.26 -1.03 119.74 123.41 2akl s LYS 105 Ca 0.09 -0.68 0.04 0.00 -1.01 0.00 0.00 55.97 54.42 2akl s LYS 105 Cb 0.04 -2.65 -0.01 0.00 -1.01 0.00 0.00 37.83 34.20 2akl s LYS 105 CO -0.07 0.59 -0.13 -0.51 0.51 0.00 0.00 175.35 175.74 2akl s LEU 106 N -1.88 2.08 -0.20 3.17 1.43 -0.44 -5.00 118.68 117.84 2akl s LEU 106 Ca 0.23 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2akl s LEU 106 Cb -0.12 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.47 2akl s LEU 106 CO 0.14 0.11 1.13 -0.54 0.23 0.00 0.00 176.35 177.42 2akl s LYS 107 N -0.61 4.25 0.41 1.70 1.02 -1.26 -3.16 119.74 122.09 2akl s LYS 107 Ca 0.04 1.48 0.10 0.00 0.02 0.00 0.00 55.97 57.61 2akl s LYS 107 Cb -0.06 -3.69 0.92 0.00 -0.52 0.00 0.00 37.83 34.48 2akl s LYS 107 CO 0.00 -0.66 1.98 0.66 -0.92 0.00 0.00 175.35 176.41 2akl h SER 108 N 7.76 0.48 0.37 2.83 4.64 -1.83 0.13 113.55 127.92 2akl h SER 108 Ca -0.22 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2akl h SER 108 Cb 1.08 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2akl h SER 108 CO 0.98 0.30 0.00 -1.84 -0.87 0.00 0.00 176.83 175.39 2akl n GLU 109 N -4.48 0.14 -0.05 4.77 0.00 -1.26 -2.36 120.64 117.40 2akl n GLU 109 Ca 0.09 0.18 0.04 0.00 0.00 0.00 0.00 57.16 57.47 2akl n GLU 109 Cb 0.29 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.30 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2akl n PHE 110 N -1.36 0.13 -3.98 -1.84 3.72 0.45 -4.42 117.46 110.16 2akl n PHE 110 Ca 0.06 -0.18 -0.23 0.00 -0.05 0.00 0.00 57.45 57.05 2akl n PHE 110 Cb 0.14 -0.01 -0.06 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 -0.82 2.94 -0.03 -4.37 -7.23 -1.00 -1.26 120.40 108.63 2akl s VAL 111 Ca 0.13 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2akl s VAL 111 Cb 0.08 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 34.03 2akl s VAL 111 CO 0.11 -0.13 0.06 -0.60 -0.31 0.00 0.00 175.10 174.24 2akl s ARG 112 N -3.92 0.02 0.33 4.82 3.52 0.88 -2.23 118.95 122.38 2akl s ARG 112 Ca 0.40 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.90 2akl s ARG 112 Cb -0.02 -0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.13 2akl s ARG 112 CO 0.24 -0.11 1.34 0.21 -0.81 0.00 0.00 175.30 176.17 2akl s LYS 113 N 0.73 4.32 -0.22 5.12 2.20 -1.26 0.30 119.74 130.92 2akl s LYS 113 Ca -0.06 2.27 -0.02 0.00 -0.36 0.00 0.00 55.97 57.80 2akl s LYS 113 Cb -0.08 -3.06 -0.13 0.00 -1.51 0.00 0.00 37.83 33.05 2akl s LYS 113 CO -0.03 -0.25 -0.22 0.28 -0.36 0.00 0.00 175.35 174.77 2akl n VAL 114 N 0.91 1.26 -1.97 4.02 0.31 -0.62 -4.80 118.33 117.44 2akl n VAL 114 Ca 0.01 -0.44 -0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2akl n VAL 114 Cb 0.41 -1.42 -0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 2.20 0.35 0.33 2.92 0.00 -1.14 -5.04 105.19 104.82 2akl n GLY 115 Ca -0.41 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 44.88 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76