#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f n SER 2 N 0.00 0.00 -0.75 1.61 3.41 -1.26 -5.17 113.62 111.47 1x4f n SER 2 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1x4f n SER 2 Cb 0.00 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1x4f n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x4f n SER 3 N -2.00 -4.46 0.00 4.04 2.88 -1.26 -5.09 113.62 107.73 1x4f n SER 3 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1x4f n SER 3 Cb 0.00 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.12 1x4f n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4f n GLY 4 N -3.06 -0.69 3.57 0.46 0.00 -1.26 -5.18 105.19 99.03 1x4f n GLY 4 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4f s SER 5 N -4.00 -0.33 0.25 1.61 1.04 -1.26 -5.19 113.70 105.81 1x4f s SER 5 Ca 0.00 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 1x4f s SER 5 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1x4f s SER 5 CO 0.00 -0.75 0.31 -0.55 0.98 0.00 0.00 173.24 173.23 1x4f s SER 6 N -2.65 0.30 0.00 7.02 0.15 -1.26 -5.07 113.70 112.19 1x4f s SER 6 Ca 0.07 -1.28 -0.18 0.00 0.70 0.00 0.00 55.95 55.26 1x4f s SER 6 Cb -0.01 0.51 -0.32 0.00 -1.71 0.00 0.00 66.02 64.48 1x4f s SER 6 CO -0.06 -1.03 0.99 1.23 1.20 0.00 0.00 173.24 175.58 1x4f h GLY 7 N 2.38 0.53 -1.77 9.45 0.00 -2.07 -3.50 103.07 108.09 1x4f h GLY 7 Ca -0.31 -1.25 0.18 0.00 0.00 0.00 0.00 47.33 45.95 1x4f h GLY 7 CO 0.44 1.09 -0.64 1.17 0.00 0.00 0.00 176.54 178.60 1x4f n LYS 8 N -3.93 -1.69 -3.15 4.80 4.81 -1.26 -4.97 118.16 112.77 1x4f n LYS 8 Ca -0.15 1.38 -0.17 0.00 -0.87 0.00 0.00 58.31 58.51 1x4f n LYS 8 Cb 0.94 -1.97 0.02 0.00 0.02 0.00 0.00 35.03 34.04 1x4f n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x4f n LYS 9 N -3.19 -1.95 -1.17 1.64 5.02 -1.26 -4.95 118.16 112.30 1x4f n LYS 9 Ca -0.05 1.68 -0.29 0.00 -2.02 0.00 0.00 58.31 57.64 1x4f n LYS 9 Cb 0.35 -3.29 0.17 0.00 -0.02 0.00 0.00 35.03 32.24 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x4f s PRO 10 N -2.07 0.54 0.34 1.97 0.04 -1.26 -5.09 135.00 129.47 1x4f s PRO 10 Ca 0.21 0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.86 1x4f s PRO 10 Cb -0.03 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1x4f s PRO 10 CO 0.65 -2.67 0.36 -1.91 0.04 0.00 0.00 177.00 173.48 1x4f n GLU 11 N -4.14 0.53 -0.18 4.56 0.00 -1.26 -5.16 120.64 114.98 1x4f n GLU 11 Ca 0.05 -3.14 -0.17 0.00 0.00 0.00 0.00 57.16 53.90 1x4f n GLU 11 Cb 0.57 2.74 0.17 0.00 0.00 0.00 0.00 31.44 34.91 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x4f n GLY 12 N -0.62 -3.41 3.19 8.31 0.00 -1.26 -5.04 105.19 106.37 1x4f n GLY 12 Ca 0.05 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 1x4f n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 13 N -3.97 1.55 -0.05 1.61 1.02 -1.26 -5.11 119.74 113.53 1x4f s LYS 13 Ca 0.38 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 1x4f s LYS 13 Cb -0.07 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.70 1x4f s LYS 13 CO 0.32 0.41 1.48 -1.25 -0.92 0.00 0.00 175.35 175.39 1x4f s PRO 14 N -0.46 4.23 -0.02 -1.68 0.04 -1.26 -5.01 135.00 130.84 1x4f s PRO 14 Ca 0.07 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 1x4f s PRO 14 Cb -0.07 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1x4f s PRO 14 CO -0.01 -0.71 0.34 0.34 0.04 0.00 0.00 177.00 177.00 1x4f s ASP 15 N 2.46 6.68 0.02 6.66 -1.08 -1.26 -5.09 116.67 125.05 1x4f s ASP 15 Ca 0.66 0.81 -0.03 0.00 -0.52 0.00 0.00 52.55 53.48 1x4f s ASP 15 Cb -0.31 -2.19 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1x4f s ASP 15 CO 0.26 0.33 0.03 -1.10 0.52 0.00 0.00 175.17 175.21 1x4f s GLN 16 N -1.18 0.39 -0.30 4.34 -0.21 -1.26 -5.13 119.66 116.31 1x4f s GLN 16 Ca 0.23 -0.57 -0.06 0.00 0.02 0.00 0.00 55.36 54.97 1x4f s GLN 16 Cb -0.15 0.15 0.19 0.00 1.00 0.00 0.00 33.01 34.20 1x4f s GLN 16 CO 0.12 -0.08 0.93 0.21 -2.12 0.00 0.00 175.29 174.34 1x4f s LYS 17 N -1.59 0.26 -0.12 2.91 2.20 -1.26 -5.17 119.74 116.98 1x4f s LYS 17 Ca -0.14 0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.50 1x4f s LYS 17 Cb -0.08 0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1x4f s LYS 17 CO -0.01 -0.48 0.47 -0.06 -0.36 0.00 0.00 175.35 174.91 1x4f s PHE 18 N 2.84 -0.46 -0.06 4.03 0.08 -1.26 -5.07 117.98 118.08 1x4f s PHE 18 Ca 0.23 1.02 -0.04 0.00 0.12 0.00 0.00 56.93 58.26 1x4f s PHE 18 Cb -0.04 0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.58 1x4f s PHE 18 CO -0.23 -0.34 -0.09 -0.40 -0.10 0.00 0.00 175.22 174.06 1x4f n ASP 19 N 2.18 0.66 -4.27 1.36 5.75 -1.26 -5.06 116.55 115.92 1x4f n ASP 19 Ca -0.16 0.11 -0.34 0.00 -0.01 0.00 0.00 54.79 54.39 1x4f n ASP 19 Cb 0.57 -0.26 0.10 0.00 -1.03 0.00 0.00 41.12 40.50 1x4f n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x4f n GLN 20 N -3.41 -0.42 -1.73 0.11 0.00 -1.26 -4.96 117.38 105.71 1x4f n GLN 20 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 57.00 56.75 1x4f n GLN 20 Cb 0.52 -1.57 0.01 0.00 0.00 0.00 0.00 30.24 29.20 1x4f n GLN 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1x4f n LYS 21 N -0.49 0.53 -0.13 2.61 4.81 -1.26 -4.94 118.16 119.29 1x4f n LYS 21 Ca 0.03 -1.59 -0.26 0.00 -0.87 0.00 0.00 58.31 55.62 1x4f n LYS 21 Cb 0.57 0.11 -0.10 0.00 0.02 0.00 0.00 35.03 35.63 1x4f n LYS 21 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x4f n GLN 22 N -0.32 0.57 -3.81 1.64 3.00 -1.26 -5.08 117.38 112.13 1x4f n GLN 22 Ca -0.14 0.22 -0.09 0.00 -0.01 0.00 0.00 57.00 56.99 1x4f n GLN 22 Cb 0.86 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 29.61 1x4f n GLN 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x4f s GLU 23 N -2.49 1.57 -0.11 -1.09 8.01 -1.26 -5.16 118.70 118.18 1x4f s GLU 23 Ca -0.36 -0.95 -0.02 0.00 0.01 0.00 0.00 54.97 53.65 1x4f s GLU 23 Cb 0.13 0.56 0.04 0.00 -4.31 0.00 0.00 34.13 30.54 1x4f s GLU 23 CO 0.49 -0.69 0.01 -0.51 0.01 0.00 0.00 175.26 174.57 1x4f s LEU 24 N -2.91 0.76 0.03 1.80 1.43 -1.26 -5.06 118.68 113.48 1x4f s LEU 24 Ca 0.12 -0.30 -0.33 0.00 -1.03 0.00 0.00 54.13 52.58 1x4f s LEU 24 Cb -0.03 -0.49 -0.12 0.00 0.03 0.00 0.00 46.19 45.58 1x4f s LEU 24 CO 0.02 -0.22 1.82 0.61 0.23 0.00 0.00 176.35 178.81 1x4f n GLY 25 N 5.12 1.48 2.91 -3.19 0.00 -1.26 -4.91 105.19 105.35 1x4f n GLY 25 Ca -0.08 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.42 1x4f n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 26 N 3.16 1.33 -0.19 1.61 0.52 -1.13 -4.64 118.95 119.61 1x4f s ARG 26 Ca 0.87 -1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1x4f s ARG 26 Cb -0.61 -2.64 0.06 0.00 0.52 0.00 0.00 34.95 32.28 1x4f s ARG 26 CO 0.44 -0.82 0.05 0.08 0.02 0.00 0.00 175.30 175.07 1x4f s VAL 27 N 1.28 0.40 -0.49 3.52 1.01 -1.26 -4.05 120.40 120.81 1x4f s VAL 27 Ca 0.04 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1x4f s VAL 27 Cb -0.18 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1x4f s VAL 27 CO -0.12 -0.22 1.34 -0.63 0.00 0.00 0.00 175.10 175.47 1x4f s ILE 28 N 1.91 3.94 -0.28 2.22 -1.09 -0.46 -0.70 121.20 126.73 1x4f s ILE 28 Ca -0.00 0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 59.04 1x4f s ILE 28 Cb -0.17 -4.41 0.01 0.00 -1.58 0.00 0.00 42.46 36.31 1x4f s ILE 28 CO -0.08 -1.00 0.98 -2.28 -1.23 0.00 0.00 174.94 171.33 1x4f s HIS 29 N 5.40 3.23 -0.35 3.97 5.65 0.44 -1.84 115.29 131.79 1x4f s HIS 29 Ca 0.54 1.18 -0.01 0.00 0.25 0.00 0.00 55.06 57.02 1x4f s HIS 29 Cb -0.11 -3.41 0.08 0.00 -1.18 0.00 0.00 32.58 27.96 1x4f s HIS 29 CO 0.29 -0.61 0.09 -0.51 -0.65 0.00 0.00 174.74 173.36 1x4f s LEU 30 N 3.30 4.60 0.39 8.88 1.43 -0.29 -1.09 118.68 135.90 1x4f s LEU 30 Ca 0.41 -1.73 0.08 0.00 -1.03 0.00 0.00 54.13 51.86 1x4f s LEU 30 Cb -0.14 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1x4f s LEU 30 CO 0.11 -0.40 0.40 -0.44 0.23 0.00 0.00 176.35 176.26 1x4f s SER 31 N 1.44 5.30 -1.24 2.29 0.01 -0.02 -2.17 113.70 119.31 1x4f s SER 31 Ca 0.03 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 1x4f s SER 31 Cb -0.21 -0.74 -0.01 0.00 0.21 0.00 0.00 66.02 65.27 1x4f s SER 31 CO -0.04 -0.58 0.81 -3.20 0.41 0.00 0.00 173.24 170.65 1x4f n ASN 32 N -1.57 -2.30 -4.88 2.44 5.15 -1.26 -1.25 115.26 111.59 1x4f n ASN 32 Ca 0.03 -0.77 -0.30 0.00 -0.60 0.00 0.00 54.58 52.94 1x4f n ASN 32 Cb 0.60 -4.44 -0.03 0.00 -0.53 0.00 0.00 39.78 35.38 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4f s LEU 33 N -6.43 3.92 0.00 1.20 1.43 -1.12 -4.03 118.68 113.66 1x4f s LEU 33 Ca 0.09 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1x4f s LEU 33 Cb -0.02 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1x4f s LEU 33 CO 0.78 -0.32 0.00 -0.81 0.23 0.00 0.00 176.35 176.24 1x4f n PRO 34 N -1.07 -0.83 -2.70 1.29 -0.04 -1.26 -4.90 135.00 125.49 1x4f n PRO 34 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1x4f n PRO 34 Cb 0.54 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.09 1x4f n PRO 34 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x4f n HIS 35 N -2.31 -2.17 -1.31 0.54 -0.00 -1.26 -4.99 115.22 103.71 1x4f n HIS 35 Ca 0.00 -1.73 -0.24 0.00 0.46 0.00 0.00 57.72 56.20 1x4f n HIS 35 Cb 0.00 1.52 0.15 0.00 -0.12 0.00 0.00 29.99 31.54 1x4f n HIS 35 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1x4f n SER 36 N -0.01 4.62 -3.46 0.26 2.88 -1.26 -4.89 113.62 111.77 1x4f n SER 36 Ca -0.02 -3.69 -0.22 0.00 -1.33 0.00 0.00 58.87 53.62 1x4f n SER 36 Cb 0.75 -0.83 0.08 0.00 -0.75 0.00 0.00 64.21 63.46 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4f n GLY 37 N -1.07 -0.47 3.94 0.46 0.00 -1.26 -5.00 105.19 101.80 1x4f n GLY 37 Ca 0.57 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.55 1x4f n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4f s TYR 38 N -3.31 3.14 0.02 1.61 -0.85 -1.26 -5.08 117.35 111.62 1x4f s TYR 38 Ca 0.48 0.32 -0.15 0.00 -0.52 0.00 0.00 57.07 57.19 1x4f s TYR 38 Cb -0.21 -2.58 -0.06 0.00 0.38 0.00 0.00 41.96 39.50 1x4f s TYR 38 CO 0.70 -0.66 0.44 -1.54 -1.52 0.00 0.00 175.55 172.97 1x4f s SER 39 N -4.30 6.85 0.25 -0.18 1.04 -1.26 -4.95 113.70 111.15 1x4f s SER 39 Ca 0.52 1.01 0.11 0.00 0.48 0.00 0.00 55.95 58.08 1x4f s SER 39 Cb -0.10 -2.27 0.85 0.00 0.10 0.00 0.00 66.02 64.59 1x4f s SER 39 CO 0.41 0.31 1.14 -0.90 0.98 0.00 0.00 173.24 175.17 1x4f n ASP 40 N 1.74 0.15 -0.28 7.02 5.75 -1.26 0.10 116.55 129.78 1x4f n ASP 40 Ca -0.13 1.21 0.02 0.00 -0.01 0.00 0.00 54.79 55.88 1x4f n ASP 40 Cb 0.52 -0.54 0.09 0.00 -1.03 0.00 0.00 41.12 40.16 1x4f n ASP 40 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x4f h SER 41 N 0.00 -0.75 -1.05 -1.12 0.02 -1.98 0.67 113.55 109.34 1x4f h SER 41 Ca 0.56 0.24 0.27 0.00 -0.84 0.00 0.00 61.79 62.02 1x4f h SER 41 Cb 1.40 0.49 -0.10 0.00 0.14 0.00 0.00 62.40 64.34 1x4f h SER 41 CO -0.60 -0.26 0.67 0.00 -1.14 0.00 0.00 176.83 175.50 1x4f h ALA 42 N 1.78 2.24 0.00 3.77 0.00 0.31 0.93 119.26 128.29 1x4f h ALA 42 Ca 0.38 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1x4f h ALA 42 Cb 0.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1x4f h ALA 42 CO -0.82 -0.65 -0.35 0.28 0.00 0.00 0.00 179.25 177.71 1x4f h VAL 43 N 0.39 0.71 0.00 0.00 2.07 0.23 -2.99 116.25 116.66 1x4f h VAL 43 Ca 0.60 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1x4f h VAL 43 Cb 1.54 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1x4f h VAL 43 CO -0.31 0.34 -0.60 0.18 0.02 0.00 0.00 177.57 177.20 1x4f n LEU 44 N -3.34 0.59 0.32 2.57 4.77 0.29 -3.96 117.00 118.23 1x4f n LEU 44 Ca 0.01 -0.07 0.22 0.00 -0.03 0.00 0.00 56.01 56.13 1x4f n LEU 44 Cb 0.57 -0.20 1.13 0.00 -2.33 0.00 0.00 43.42 42.58 1x4f n LEU 44 CO 0.37 0.14 1.15 0.50 -1.33 0.00 0.00 177.39 178.21 1x4f h LYS 45 N 0.00 0.00 -0.02 3.23 3.64 -0.39 0.24 116.57 123.26 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x4f h LYS 45 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1x4f h LYS 45 CO 0.00 0.00 0.00 1.47 -2.27 0.00 0.00 179.45 178.65 1x4f n LEU 46 N -3.03 1.45 0.00 5.20 -0.00 -1.25 -3.95 117.00 115.42 1x4f n LEU 46 Ca -0.02 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 1x4f n LEU 46 Cb 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1x4f n LEU 46 CO 0.20 0.25 -0.41 0.00 -0.00 0.00 0.00 177.39 177.43 1x4f n ALA 47 N 0.14 1.71 -0.11 1.47 0.00 0.54 -4.72 120.51 119.53 1x4f n ALA 47 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1x4f n ALA 47 Cb 0.34 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 1x4f n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4f h GLU 48 N 0.00 -0.37 0.00 0.00 4.39 -0.86 0.59 114.58 118.32 1x4f h GLU 48 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x4f h GLU 48 Cb 0.27 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1x4f h GLU 48 CO 0.00 -0.25 0.00 -0.35 -1.16 0.00 0.00 179.01 177.25 1x4f n PRO 49 N -5.13 0.49 -0.09 2.33 -0.04 -1.26 -2.63 135.00 128.66 1x4f n PRO 49 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1x4f n PRO 49 Cb 0.31 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1x4f n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4f n TYR 50 N -0.86 0.00 -3.59 0.54 4.01 0.16 -5.10 117.16 112.33 1x4f n TYR 50 Ca 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.84 1x4f n TYR 50 Cb 0.04 -0.75 -0.01 0.00 -0.31 0.00 0.00 39.34 38.31 1x4f n TYR 50 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x4f s GLY 51 N -5.76 -0.37 -0.07 2.72 0.00 0.12 -4.41 107.32 99.55 1x4f s GLY 51 Ca -0.24 1.40 -0.30 0.00 0.00 0.00 0.00 44.72 45.58 1x4f s GLY 51 CO 0.47 0.38 1.57 0.54 0.00 0.00 0.00 173.10 176.07 1x4f s LYS 52 N -2.01 4.19 -0.66 2.90 1.02 -1.26 -4.25 119.74 119.67 1x4f s LYS 52 Ca 0.14 2.08 -0.26 0.00 0.02 0.00 0.00 55.97 57.95 1x4f s LYS 52 Cb 0.04 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1x4f s LYS 52 CO -0.05 -0.81 1.81 0.42 -0.92 0.00 0.00 175.35 175.81 1x4f s ILE 53 N 3.85 3.40 0.14 2.17 1.01 -1.26 -0.79 121.20 129.73 1x4f s ILE 53 Ca 0.69 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.48 1x4f s ILE 53 Cb -0.31 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 37.93 1x4f s ILE 53 CO 0.27 -1.01 1.32 0.11 0.00 0.00 0.00 174.94 175.62 1x4f h LYS 54 N 14.03 0.26 -2.10 2.79 6.56 -1.77 -3.47 116.57 132.87 1x4f h LYS 54 Ca -0.21 -0.31 -0.06 0.00 -1.06 0.00 0.00 60.65 59.01 1x4f h LYS 54 Cb 1.13 0.09 -0.18 0.00 -0.57 0.00 0.00 32.23 32.70 1x4f h LYS 54 CO 1.23 1.03 0.19 1.21 -2.06 0.00 0.00 179.45 181.05 1x4f s ASN 55 N -6.99 -0.65 0.17 0.86 2.47 -1.21 -5.04 114.94 104.55 1x4f s ASN 55 Ca -0.04 0.65 -0.15 0.00 0.42 0.00 0.00 52.86 53.75 1x4f s ASN 55 Cb 0.09 0.54 0.02 0.00 -1.45 0.00 0.00 41.25 40.45 1x4f s ASN 55 CO 0.85 -0.64 0.42 -0.72 -3.72 0.00 0.00 177.10 173.29 1x4f s TYR 56 N -1.42 -0.00 -0.06 0.43 1.13 -1.26 -0.16 117.35 116.02 1x4f s TYR 56 Ca -0.10 -0.35 -0.02 0.00 -1.41 0.00 0.00 57.07 55.19 1x4f s TYR 56 Cb -0.00 0.23 0.04 0.00 -1.10 0.00 0.00 41.96 41.13 1x4f s TYR 56 CO 0.08 -0.80 0.12 0.42 -2.51 0.00 0.00 175.55 172.85 1x4f s ILE 57 N -3.88 -0.09 -0.47 -3.49 -1.09 0.46 -4.93 121.20 107.70 1x4f s ILE 57 Ca 0.09 0.24 -0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1x4f s ILE 57 Cb 0.01 -0.21 0.13 0.00 -1.58 0.00 0.00 42.46 40.81 1x4f s ILE 57 CO -0.05 0.10 0.24 -0.22 -1.23 0.00 0.00 174.94 173.79 1x4f s LEU 58 N 1.42 4.96 -0.11 2.97 1.98 -1.26 -0.54 118.68 128.10 1x4f s LEU 58 Ca -0.06 -2.47 -0.11 0.00 -2.89 0.00 0.00 54.13 48.60 1x4f s LEU 58 Cb -0.12 -1.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.93 1x4f s LEU 58 CO -0.05 -0.40 0.26 -0.04 -1.89 0.00 0.00 176.35 174.23 1x4f s MET 59 N 0.49 3.90 0.04 1.98 -1.94 0.34 -4.98 119.30 119.13 1x4f s MET 59 Ca 0.13 0.08 0.20 0.00 -1.71 0.00 0.00 55.69 54.39 1x4f s MET 59 Cb -0.22 -3.29 -0.18 0.00 2.01 0.00 0.00 34.83 33.15 1x4f s MET 59 CO -0.04 0.54 0.69 0.54 -0.01 0.00 0.00 175.02 176.74 1x4f n ARG 60 N 2.59 0.64 -0.14 2.03 1.74 -1.26 -2.35 116.66 119.91 1x4f n ARG 60 Ca -0.15 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 1x4f n ARG 60 Cb 0.53 -1.69 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1x4f n ARG 60 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1x4f h MET 61 N 0.00 -0.02 -0.97 5.56 2.86 -1.93 -2.88 114.93 117.55 1x4f h MET 61 Ca -0.11 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.97 1x4f h MET 61 Cb 1.30 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 32.54 1x4f h MET 61 CO 0.02 -0.01 -0.75 1.63 1.06 0.00 0.00 176.91 178.85 1x4f n LYS 62 N -3.78 3.55 -4.43 1.72 5.02 -1.26 -4.94 118.16 114.04 1x4f n LYS 62 Ca 0.00 -4.24 -0.41 0.00 -2.02 0.00 0.00 58.31 51.64 1x4f n LYS 62 Cb 0.10 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 32.76 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4f n SER 63 N -0.65 -1.76 -4.71 4.39 7.64 -1.09 -4.69 113.62 112.75 1x4f n SER 63 Ca 0.43 -1.19 -0.31 0.00 1.01 0.00 0.00 58.87 58.82 1x4f n SER 63 Cb 0.88 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1x4f s GLN 64 N -7.03 2.73 -0.10 1.43 -0.21 -0.99 -2.79 119.66 112.70 1x4f s GLN 64 Ca 0.80 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 55.28 1x4f s GLN 64 Cb -0.47 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 30.94 1x4f s GLN 64 CO 0.98 0.58 0.45 0.00 -2.12 0.00 0.00 175.29 175.18 1x4f s ALA 65 N -1.26 -1.14 0.21 6.09 0.00 -0.92 -0.50 121.76 124.24 1x4f s ALA 65 Ca 0.25 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.28 1x4f s ALA 65 Cb -0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1x4f s ALA 65 CO 0.17 -0.26 -0.08 -0.06 0.00 0.00 0.00 175.76 175.52 1x4f s PHE 66 N -0.54 2.62 -0.27 0.00 0.08 0.30 -1.14 117.98 119.03 1x4f s PHE 66 Ca -0.07 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1x4f s PHE 66 Cb -0.03 -1.24 0.13 0.00 -0.57 0.00 0.00 43.02 41.31 1x4f s PHE 66 CO 0.03 0.56 0.30 0.42 -0.10 0.00 0.00 175.22 176.43 1x4f s ILE 67 N -1.92 -0.43 -0.60 0.64 1.01 -0.76 -0.41 121.20 118.72 1x4f s ILE 67 Ca 0.27 -0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.31 1x4f s ILE 67 Cb -0.08 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.52 1x4f s ILE 67 CO 0.16 -0.36 1.07 -0.70 0.00 0.00 0.00 174.94 175.11 1x4f s GLU 68 N 2.39 3.34 0.87 2.79 2.12 0.78 -1.35 118.70 129.65 1x4f s GLU 68 Ca 0.09 -0.16 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 1x4f s GLU 68 Cb -0.14 -4.08 0.12 0.00 0.26 0.00 0.00 34.13 30.29 1x4f s GLU 68 CO -0.27 -1.68 1.12 -1.64 -0.54 0.00 0.00 175.26 172.25 1x4f s MET 69 N 4.52 1.39 0.37 4.30 -1.94 -1.26 -2.56 119.30 124.12 1x4f s MET 69 Ca 0.34 1.32 0.08 0.00 -1.71 0.00 0.00 55.69 55.72 1x4f s MET 69 Cb -0.11 -1.79 0.73 0.00 2.01 0.00 0.00 34.83 35.68 1x4f s MET 69 CO 0.20 -2.30 1.91 1.49 -0.01 0.00 0.00 175.02 176.31 1x4f h GLU 70 N -1.62 0.36 -3.47 2.03 4.81 -1.24 -3.43 114.58 112.02 1x4f h GLU 70 Ca -0.45 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 58.57 1x4f h GLU 70 Cb 1.26 -0.05 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 1x4f h GLU 70 CO 0.46 0.43 -0.45 0.95 -0.73 0.00 0.00 179.01 179.68 1x4f s THR 71 N -4.87 0.09 0.27 0.32 -4.23 -1.26 -5.01 115.64 100.94 1x4f s THR 71 Ca -0.06 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1x4f s THR 71 Cb 0.16 -0.54 0.26 0.00 1.34 0.00 0.00 72.50 73.71 1x4f s THR 71 CO 0.74 -0.39 1.80 -0.09 -0.54 0.00 0.00 174.62 176.14 1x4f h ARG 72 N 4.08 0.79 -0.93 3.99 2.43 -1.91 -0.90 114.38 121.93 1x4f h ARG 72 Ca -0.31 -0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.04 1x4f h ARG 72 Cb 1.19 -0.18 -0.12 0.00 -0.42 0.00 0.00 29.97 30.44 1x4f h ARG 72 CO 0.42 0.52 0.47 0.93 -1.51 0.00 0.00 179.97 180.80 1x4f h GLU 73 N 0.81 0.47 0.51 0.20 3.07 -1.97 0.11 114.58 117.78 1x4f h GLU 73 Ca 0.47 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.28 1x4f h GLU 73 Cb 0.56 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1x4f h GLU 73 CO -0.30 0.31 -0.24 -0.44 -1.40 0.00 0.00 179.01 176.93 1x4f h ASP 74 N 0.48 -0.58 -0.58 1.42 3.32 -1.38 -2.56 116.42 116.56 1x4f h ASP 74 Ca 0.59 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.76 1x4f h ASP 74 Cb 1.10 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 1x4f h ASP 74 CO -0.50 -0.19 -0.31 0.00 -1.72 0.00 0.00 179.24 176.52 1x4f h ALA 75 N -1.25 -0.00 -0.65 3.45 0.00 -1.16 0.77 119.26 120.42 1x4f h ALA 75 Ca -0.07 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1x4f h ALA 75 Cb 0.52 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1x4f h ALA 75 CO 0.11 -0.65 0.25 0.52 0.00 0.00 0.00 179.25 179.48 1x4f h MET 76 N -0.15 0.42 -0.83 0.00 2.86 -0.89 -0.34 114.93 116.00 1x4f h MET 76 Ca 0.24 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1x4f h MET 76 Cb 0.54 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1x4f h MET 76 CO -0.66 0.28 0.54 0.00 1.06 0.00 0.00 176.91 178.13 1x4f h ALA 77 N 1.45 1.53 0.37 6.32 0.00 -0.46 -0.78 119.26 127.70 1x4f h ALA 77 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1x4f h ALA 77 Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x4f h ALA 77 CO -0.33 0.36 -0.18 1.98 0.00 0.00 0.00 179.25 181.09 1x4f h MET 78 N 0.98 -0.48 -1.03 0.00 4.05 0.14 -1.53 114.93 117.06 1x4f h MET 78 Ca 0.34 0.03 0.26 0.00 -0.28 0.00 0.00 59.70 60.05 1x4f h MET 78 Cb 0.12 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 30.92 1x4f h MET 78 CO -0.11 -0.32 0.63 -0.39 0.23 0.00 0.00 176.91 176.95 1x4f h VAL 79 N -0.66 0.53 0.63 -5.77 -1.51 -1.28 -1.49 116.25 106.71 1x4f h VAL 79 Ca -0.05 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 1x4f h VAL 79 Cb 0.38 -0.00 0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1x4f h VAL 79 CO 0.08 0.09 -0.30 0.44 -1.23 0.00 0.00 177.57 176.65 1x4f h ASP 80 N 0.49 -0.72 -1.21 4.19 5.19 -1.12 -2.58 116.42 120.67 1x4f h ASP 80 Ca 0.62 -0.02 0.35 0.00 -0.62 0.00 0.00 57.03 57.36 1x4f h ASP 80 Cb 1.36 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 1x4f h ASP 80 CO -0.39 -0.40 0.99 -0.74 -3.12 0.00 0.00 179.24 175.58 1x4f h HIS 81 N -1.02 0.00 0.05 4.55 2.76 -0.21 1.32 115.15 122.60 1x4f h HIS 81 Ca -0.09 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.85 1x4f h HIS 81 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1x4f h HIS 81 CO -0.00 0.00 -1.04 0.00 -1.30 0.00 0.00 177.93 175.59 1x4f h LEU 83 N 0.09 -0.27 -0.31 0.00 3.38 0.21 -3.31 115.31 115.09 1x4f h LEU 83 Ca -0.07 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 1x4f h LEU 83 Cb 1.73 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1x4f h LEU 83 CO 0.16 0.17 -0.32 0.11 0.09 0.00 0.00 178.44 178.66 1x4f h LYS 84 N -0.78 0.77 -6.26 1.13 6.56 -1.48 -3.44 116.57 113.07 1x4f h LYS 84 Ca -0.03 -0.41 -0.61 0.00 -1.06 0.00 0.00 60.65 58.54 1x4f h LYS 84 Cb 0.51 0.02 -0.26 0.00 -0.57 0.00 0.00 32.23 31.92 1x4f h LYS 84 CO 0.05 1.03 -0.85 0.21 -2.06 0.00 0.00 179.45 177.83 1x4f s LYS 85 N -4.36 1.52 -0.13 3.15 2.20 -0.32 -5.10 119.74 116.69 1x4f s LYS 85 Ca -0.12 -0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 54.22 1x4f s LYS 85 Cb 0.09 -1.64 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 1x4f s LYS 85 CO 0.84 0.42 1.38 0.00 -0.36 0.00 0.00 175.35 177.64 1x4f s ALA 86 N -0.78 3.65 -0.16 3.13 0.00 -1.26 -3.40 121.76 122.94 1x4f s ALA 86 Ca 0.09 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 1x4f s ALA 86 Cb -0.09 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1x4f s ALA 86 CO 0.02 -1.24 0.75 -1.17 0.00 0.00 0.00 175.76 174.12 1x4f s LEU 87 N 3.64 4.19 -0.19 0.00 0.20 -1.26 -5.01 118.68 120.25 1x4f s LEU 87 Ca 0.60 1.08 -0.01 0.00 0.69 0.00 0.00 54.13 56.49 1x4f s LEU 87 Cb -0.25 -3.11 0.00 0.00 -0.43 0.00 0.00 46.19 42.40 1x4f s LEU 87 CO 0.19 -0.31 -0.13 0.26 -0.29 0.00 0.00 176.35 176.07 1x4f s TRP 88 N 1.83 2.85 -0.25 5.38 0.52 -1.26 -3.78 118.94 124.23 1x4f s TRP 88 Ca 0.35 -1.22 0.03 0.00 0.02 0.00 0.00 56.10 55.28 1x4f s TRP 88 Cb -0.17 -1.98 0.06 0.00 -1.15 0.00 0.00 33.47 30.23 1x4f s TRP 88 CO 0.13 -0.62 -0.10 0.12 0.02 0.00 0.00 176.95 176.49 1x4f s PHE 89 N 1.24 3.13 -1.49 -1.98 5.36 0.28 -4.68 117.98 119.84 1x4f s PHE 89 Ca 0.03 -2.23 -0.01 0.00 -0.96 0.00 0.00 56.93 53.75 1x4f s PHE 89 Cb -0.14 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1x4f s PHE 89 CO -0.06 -0.86 0.19 1.04 -1.46 0.00 0.00 175.22 174.06 1x4f n GLN 90 N 4.47 -2.45 -2.35 10.12 1.13 -1.26 -2.39 117.38 124.64 1x4f n GLN 90 Ca -0.14 0.86 -0.02 0.00 -1.94 0.00 0.00 57.00 55.76 1x4f n GLN 90 Cb 0.42 -5.41 0.00 0.00 0.11 0.00 0.00 30.24 25.37 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x4f n GLY 91 N -1.16 0.63 2.96 1.08 0.00 -1.26 -5.01 105.19 102.42 1x4f n GLY 91 Ca -0.18 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1x4f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 92 N -4.67 0.14 -0.08 1.61 1.81 -1.01 -5.04 118.95 111.72 1x4f s ARG 92 Ca 0.02 -0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 53.97 1x4f s ARG 92 Cb -0.01 0.06 -0.06 0.00 -0.45 0.00 0.00 34.95 34.49 1x4f s ARG 92 CO 0.03 -0.02 2.65 0.00 -0.68 0.00 0.00 175.30 177.28 1x4f n VAL 94 N 1.65 1.58 -3.23 0.00 3.14 -1.25 -4.89 118.33 115.33 1x4f n VAL 94 Ca 0.24 -0.39 -0.41 0.00 -2.96 0.00 0.00 64.34 60.81 1x4f n VAL 94 Cb 0.66 -0.08 -0.08 0.00 -1.06 0.00 0.00 33.84 33.29 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4f s LYS 95 N -0.81 3.81 -0.35 1.45 2.20 -0.38 -4.75 119.74 120.91 1x4f s LYS 95 Ca 0.69 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1x4f s LYS 95 Cb -0.98 -3.74 0.08 0.00 -1.51 0.00 0.00 37.83 31.67 1x4f s LYS 95 CO 0.56 -0.53 0.09 0.54 -0.36 0.00 0.00 175.35 175.66 1x4f s VAL 96 N 2.39 3.12 0.01 4.02 0.11 -1.26 -0.84 120.40 127.94 1x4f s VAL 96 Ca 0.20 -1.70 0.01 0.00 -2.93 0.00 0.00 61.98 57.56 1x4f s VAL 96 Cb -0.15 -2.96 -0.01 0.00 -1.53 0.00 0.00 36.38 31.72 1x4f s VAL 96 CO 0.12 -0.38 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.65 1x4f s ASP 97 N 1.48 0.46 0.14 3.54 1.01 -0.25 -4.43 116.67 118.61 1x4f s ASP 97 Ca 0.02 -0.24 -0.31 0.00 0.71 0.00 0.00 52.55 52.73 1x4f s ASP 97 Cb -0.21 -0.00 -0.10 0.00 1.01 0.00 0.00 42.92 43.62 1x4f s ASP 97 CO -0.03 -0.07 1.61 -0.76 0.21 0.00 0.00 175.17 176.13 1x4f s LEU 98 N -0.63 4.37 -0.04 1.23 1.02 -1.26 -0.42 118.68 122.95 1x4f s LEU 98 Ca -0.04 2.59 -0.17 0.00 0.02 0.00 0.00 54.13 56.53 1x4f s LEU 98 Cb -0.05 -3.58 -0.11 0.00 0.02 0.00 0.00 46.19 42.47 1x4f s LEU 98 CO -0.00 -0.85 0.71 -1.28 0.02 0.00 0.00 176.35 174.94 1x4f h SER 99 N 7.28 -0.35 -3.63 2.29 0.87 -1.27 -3.46 113.55 115.29 1x4f h SER 99 Ca -0.43 -0.11 -0.29 0.00 -1.23 0.00 0.00 61.79 59.73 1x4f h SER 99 Cb 1.20 0.09 0.06 0.00 -0.44 0.00 0.00 62.40 63.31 1x4f h SER 99 CO 0.92 0.12 -0.45 1.21 -0.53 0.00 0.00 176.83 178.10 1x4f n GLU 100 N -5.06 -4.08 0.00 2.24 2.13 -1.26 -4.85 120.64 109.77 1x4f n GLU 100 Ca -0.07 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1x4f n GLU 100 Cb 0.23 -4.99 0.00 0.00 0.27 0.00 0.00 31.44 26.95 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1x4f n LYS 101 N -3.27 0.00 0.04 5.31 4.81 -1.26 -4.90 118.16 118.89 1x4f n LYS 101 Ca -0.06 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.18 1x4f n LYS 101 Cb 0.58 -0.32 -0.14 0.00 0.02 0.00 0.00 35.03 35.17 1x4f n LYS 101 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1x4f h TYR 102 N 0.00 0.60 0.00 5.64 -1.99 -1.95 -3.47 116.97 115.80 1x4f h TYR 102 Ca 0.00 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1x4f h TYR 102 Cb 0.10 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1x4f h TYR 102 CO 0.00 1.28 0.00 1.63 -0.00 0.00 0.00 178.16 181.07 1x4f n LYS 103 N -4.12 0.00 -4.11 4.88 5.02 -1.26 -4.80 118.16 113.77 1x4f n LYS 103 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.07 1x4f n LYS 103 Cb 0.80 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.71 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1x4f s LYS 104 N 0.00 0.67 -0.64 1.97 -2.85 -1.26 -2.84 119.74 114.78 1x4f s LYS 104 Ca 0.00 -1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 53.75 1x4f s LYS 104 Cb 0.00 -0.01 0.17 0.00 -2.06 0.00 0.00 37.83 35.93 1x4f s LYS 104 CO 0.00 -0.05 0.48 -0.51 0.10 0.00 0.00 175.35 175.37 1x4f s LEU 105 N -2.73 5.54 -0.06 2.77 1.43 -1.26 -5.03 118.68 119.34 1x4f s LEU 105 Ca 0.05 -2.73 -0.02 0.00 -1.03 0.00 0.00 54.13 50.40 1x4f s LEU 105 Cb 0.04 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1x4f s LEU 105 CO -0.06 -0.43 0.13 0.54 0.23 0.00 0.00 176.35 176.75 1x4f s VAL 106 N 0.12 -0.10 0.04 -1.59 0.11 -1.26 -4.92 120.40 112.80 1x4f s VAL 106 Ca 0.16 0.23 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 1x4f s VAL 106 Cb -0.19 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1x4f s VAL 106 CO -0.04 0.10 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.28 1x4f s SER 107 N 1.44 1.14 0.93 3.54 0.01 -1.26 -5.10 113.70 114.40 1x4f s SER 107 Ca -0.06 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x4f s SER 107 Cb -0.12 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1x4f s SER 107 CO -0.05 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x4f n GLY 108 N 1.69 0.63 3.69 3.44 0.00 -1.26 -4.80 105.19 108.58 1x4f n GLY 108 Ca -0.20 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1x4f n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4f s PRO 109 N 0.00 0.77 -0.24 1.61 0.04 -1.26 -5.08 135.00 130.84 1x4f s PRO 109 Ca 0.00 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 61.40 1x4f s PRO 109 Cb 0.00 -1.77 0.14 0.00 0.04 0.00 0.00 34.50 32.92 1x4f s PRO 109 CO 0.00 -2.53 1.12 0.45 0.04 0.00 0.00 177.00 176.08 1x4f s SER 110 N -3.44 -0.31 0.00 6.66 0.15 -1.26 -4.99 113.70 110.51 1x4f s SER 110 Ca 0.65 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1x4f s SER 110 Cb -0.18 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x4f s SER 110 CO 0.57 -0.19 0.00 -0.24 1.20 0.00 0.00 173.24 174.58 1x4f n SER 111 N 1.30 0.00 0.00 5.45 2.88 -1.26 -5.24 113.62 116.76 1x4f n SER 111 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1x4f n SER 111 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1x4f n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42