#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f s SER 2 N 0.00 -0.34 0.24 1.61 1.04 -1.26 -5.19 113.70 109.80 1x4f s SER 2 Ca 0.00 0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.29 1x4f s SER 2 Cb 0.00 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1x4f s SER 2 CO 0.00 -0.53 0.69 -0.94 0.98 0.00 0.00 173.24 173.44 1x4f s SER 3 N -2.21 -0.35 0.00 7.02 1.04 -1.26 -5.18 113.70 112.76 1x4f s SER 3 Ca 0.04 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x4f s SER 3 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1x4f s SER 3 CO -0.07 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1x4f n GLY 4 N -0.44 2.66 3.06 7.32 0.00 -1.26 -5.16 105.19 111.38 1x4f n GLY 4 Ca -0.08 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1x4f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4f s SER 5 N 0.00 -0.05 0.00 1.61 0.15 -1.26 -5.01 113.70 109.14 1x4f s SER 5 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x4f s SER 5 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1x4f s SER 5 CO 0.00 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.02 1x4f n SER 6 N 2.20 0.00 -3.74 5.45 7.64 -1.26 -5.07 113.62 118.84 1x4f n SER 6 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 1x4f n SER 6 Cb 0.57 0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.93 1x4f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 7 N -1.14 -0.99 2.70 0.23 0.00 -1.26 -4.98 105.19 99.74 1x4f n GLY 7 Ca 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 1x4f n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4f s LYS 8 N -6.11 0.33 -0.52 1.61 -2.85 -1.26 -5.06 119.74 105.88 1x4f s LYS 8 Ca 0.44 -0.02 0.07 0.00 -1.00 0.00 0.00 55.97 55.46 1x4f s LYS 8 Cb -0.18 -1.39 0.19 0.00 -2.06 0.00 0.00 37.83 34.39 1x4f s LYS 8 CO 0.88 -0.49 0.73 0.21 0.10 0.00 0.00 175.35 176.78 1x4f s LYS 9 N 2.03 1.07 0.28 1.78 2.36 -1.26 -4.86 119.74 121.14 1x4f s LYS 9 Ca 0.03 -1.06 0.06 0.00 -2.55 0.00 0.00 55.97 52.45 1x4f s LYS 9 Cb -0.14 -0.05 0.40 0.00 -1.05 0.00 0.00 37.83 36.99 1x4f s LYS 9 CO -0.06 -1.32 1.66 -1.00 1.55 0.00 0.00 175.35 176.18 1x4f h PRO 10 N 5.00 0.23 -1.43 4.03 0.13 -1.99 -3.46 132.00 134.51 1x4f h PRO 10 Ca 0.06 -0.12 0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1x4f h PRO 10 Cb 1.11 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.98 1x4f h PRO 10 CO 0.01 0.65 0.61 -2.00 -0.23 0.00 0.00 178.00 177.05 1x4f s GLU 11 N -4.04 0.41 0.00 0.86 2.56 -1.26 -5.11 118.70 112.12 1x4f s GLU 11 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.22 1x4f s GLU 11 Cb 0.13 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.46 1x4f s GLU 11 CO 0.78 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.80 1x4f n GLY 12 N 1.41 -1.26 3.36 -1.50 0.00 -1.26 -5.01 105.19 100.93 1x4f n GLY 12 Ca -0.10 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 1x4f n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 13 N 0.00 -1.97 0.27 1.61 4.01 -1.26 -4.85 118.16 115.97 1x4f n LYS 13 Ca 0.00 1.52 0.16 0.00 -0.51 0.00 0.00 58.31 59.48 1x4f n LYS 13 Cb 0.00 -3.13 0.68 0.00 -0.51 0.00 0.00 35.03 32.07 1x4f n LYS 13 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1x4f h PRO 14 N 1.71 0.00 -5.67 1.97 0.13 -1.97 -3.44 132.00 124.74 1x4f h PRO 14 Ca -0.41 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.11 1x4f h PRO 14 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1x4f h PRO 14 CO 0.24 0.04 1.53 -0.40 -0.23 0.00 0.00 178.00 179.19 1x4f n ASP 15 N -3.17 1.44 -3.89 1.44 5.68 -1.26 -4.89 116.55 111.90 1x4f n ASP 15 Ca 0.00 0.24 -0.11 0.00 -0.50 0.00 0.00 54.79 54.43 1x4f n ASP 15 Cb 0.31 -1.17 -0.10 0.00 -1.14 0.00 0.00 41.12 39.03 1x4f n ASP 15 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1x4f s GLN 16 N 7.26 0.51 0.46 0.11 0.74 -1.26 -5.10 119.66 122.37 1x4f s GLN 16 Ca 1.16 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 56.06 1x4f s GLN 16 Cb -0.96 0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.36 1x4f s GLN 16 CO 0.48 -0.12 0.00 1.63 -0.55 0.00 0.00 175.29 176.73 1x4f n LYS 17 N 1.26 -0.54 -4.13 1.67 4.76 -1.26 -4.91 118.16 115.00 1x4f n LYS 17 Ca -0.22 0.36 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 1x4f n LYS 17 Cb 0.56 -0.66 -0.11 0.00 -1.84 0.00 0.00 35.03 32.98 1x4f n LYS 17 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1x4f s PHE 18 N -0.71 0.84 0.00 2.13 5.36 -1.26 -5.00 117.98 119.33 1x4f s PHE 18 Ca 0.00 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.24 1x4f s PHE 18 Cb 0.00 -0.48 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 1x4f s PHE 18 CO 0.00 -0.10 0.00 -3.47 -1.46 0.00 0.00 175.22 170.19 1x4f n ASP 19 N 0.59 0.00 -4.60 6.13 2.03 -1.26 -5.12 116.55 114.33 1x4f n ASP 19 Ca -0.17 0.00 -0.65 0.00 0.52 0.00 0.00 54.79 54.49 1x4f n ASP 19 Cb 0.58 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.88 1x4f n ASP 19 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1x4f n GLN 20 N 0.00 0.03 -3.76 -0.67 -0.06 -1.26 -4.92 117.38 106.73 1x4f n GLN 20 Ca 0.00 0.01 -0.21 0.00 -2.00 0.00 0.00 57.00 54.80 1x4f n GLN 20 Cb 0.00 -1.52 -0.03 0.00 -4.06 0.00 0.00 30.24 24.63 1x4f n GLN 20 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1x4f s LYS 21 N 3.91 2.78 0.00 3.69 -2.85 -1.26 -4.70 119.74 121.31 1x4f s LYS 21 Ca 1.09 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1x4f s LYS 21 Cb -1.49 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 31.76 1x4f s LYS 21 CO 0.77 0.09 0.00 0.94 0.10 0.00 0.00 175.35 177.25 1x4f n GLN 22 N -1.41 0.00 -2.90 1.78 -0.06 -1.26 -4.89 117.38 108.64 1x4f n GLN 22 Ca -0.02 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.60 1x4f n GLN 22 Cb 0.60 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.71 1x4f n GLN 22 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1x4f s GLU 23 N 0.00 4.61 0.03 3.69 2.56 -1.26 -5.07 118.70 123.25 1x4f s GLU 23 Ca 0.00 1.23 0.03 0.00 0.00 0.00 0.00 54.97 56.24 1x4f s GLU 23 Cb 0.00 -3.14 -0.02 0.00 2.00 0.00 0.00 34.13 32.97 1x4f s GLU 23 CO 0.00 0.49 -0.10 -0.51 -0.56 0.00 0.00 175.26 174.58 1x4f s LEU 24 N -1.42 2.15 -0.24 2.70 1.43 -1.26 -4.96 118.68 117.08 1x4f s LEU 24 Ca 0.40 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 1x4f s LEU 24 Cb -0.22 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 1x4f s LEU 24 CO 0.27 -0.02 0.58 -0.83 0.23 0.00 0.00 176.35 176.58 1x4f s GLY 25 N -0.96 1.87 -0.34 -3.19 0.00 -1.26 -4.99 107.32 98.44 1x4f s GLY 25 Ca -0.02 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1x4f s GLY 25 CO 0.01 1.33 0.07 0.50 0.00 0.00 0.00 173.10 175.00 1x4f s ARG 26 N 2.29 1.93 -0.18 2.90 3.00 -1.25 -4.43 118.95 123.20 1x4f s ARG 26 Ca 0.25 -1.67 -0.03 0.00 0.00 0.00 0.00 55.73 54.28 1x4f s ARG 26 Cb -0.16 -3.27 0.06 0.00 0.00 0.00 0.00 34.95 31.58 1x4f s ARG 26 CO 0.09 -0.87 0.04 0.08 0.00 0.00 0.00 175.30 174.64 1x4f s VAL 27 N 1.07 0.41 -0.52 3.52 1.01 -1.26 -3.92 120.40 120.71 1x4f s VAL 27 Ca 0.04 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1x4f s VAL 27 Cb -0.20 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1x4f s VAL 27 CO -0.05 -0.18 1.19 -0.63 0.00 0.00 0.00 175.10 175.43 1x4f s ILE 28 N 1.92 4.09 -0.38 2.22 -1.09 0.65 -1.85 121.20 126.76 1x4f s ILE 28 Ca 0.00 1.06 -0.24 0.00 -2.23 0.00 0.00 60.65 59.25 1x4f s ILE 28 Cb -0.16 -4.62 0.01 0.00 -1.58 0.00 0.00 42.46 36.11 1x4f s ILE 28 CO -0.08 -1.13 0.81 -2.28 -1.23 0.00 0.00 174.94 171.04 1x4f s HIS 29 N 4.79 3.08 -0.29 3.97 5.65 0.42 -0.89 115.29 132.01 1x4f s HIS 29 Ca 0.47 0.52 -0.08 0.00 0.25 0.00 0.00 55.06 56.22 1x4f s HIS 29 Cb -0.08 -3.51 -0.01 0.00 -1.18 0.00 0.00 32.58 27.81 1x4f s HIS 29 CO 0.29 -0.80 0.12 -0.51 -0.65 0.00 0.00 174.74 173.19 1x4f s LEU 30 N 3.22 3.87 0.16 8.88 1.43 -0.03 -1.35 118.68 134.87 1x4f s LEU 30 Ca 0.32 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1x4f s LEU 30 Cb -0.13 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1x4f s LEU 30 CO 0.19 -0.15 -0.19 -0.44 0.23 0.00 0.00 176.35 175.99 1x4f s SER 31 N 1.60 3.75 -0.47 2.29 0.01 0.07 -2.30 113.70 118.65 1x4f s SER 31 Ca 0.05 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 1x4f s SER 31 Cb -0.16 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1x4f s SER 31 CO 0.05 0.14 0.40 -3.20 0.41 0.00 0.00 173.24 171.04 1x4f n ASN 32 N 0.43 -3.32 -4.83 2.44 5.15 -1.23 -0.61 115.26 113.29 1x4f n ASN 32 Ca -0.14 -0.19 -0.33 0.00 -0.60 0.00 0.00 54.58 53.33 1x4f n ASN 32 Cb 0.55 -2.09 -0.06 0.00 -0.53 0.00 0.00 39.78 37.65 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 -3.25 3.93 0.00 1.20 1.43 -1.15 -4.24 118.68 116.61 1x4f s LEU 33 Ca 0.18 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1x4f s LEU 33 Cb -0.08 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1x4f s LEU 33 CO 0.25 -0.35 0.00 -0.81 0.23 0.00 0.00 176.35 175.67 1x4f n PRO 34 N -0.70 -0.50 -2.69 1.29 -0.04 -1.26 -4.85 135.00 126.23 1x4f n PRO 34 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 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 -2.39 -0.04 0.00 0.00 175.50 173.07 1x4f n HIS 35 N -2.00 -1.71 -1.28 0.54 1.44 -1.26 -4.98 115.22 105.98 1x4f n HIS 35 Ca 0.00 -1.47 -0.22 0.00 -2.01 0.00 0.00 57.72 54.02 1x4f n HIS 35 Cb 0.00 1.43 0.18 0.00 0.12 0.00 0.00 29.99 31.71 1x4f n HIS 35 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1x4f n SER 36 N 0.19 3.82 -2.61 4.39 3.41 -1.26 -4.88 113.62 116.67 1x4f n SER 36 Ca -0.03 -3.65 -0.16 0.00 -0.26 0.00 0.00 58.87 54.77 1x4f n SER 36 Cb 0.73 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4f n GLY 37 N -1.13 -0.07 3.96 5.00 0.00 -1.26 -5.02 105.19 106.67 1x4f n GLY 37 Ca 0.56 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.22 2.34 0.03 1.61 -0.85 -1.26 -5.09 117.35 110.90 1x4f s TYR 38 Ca 0.34 0.05 -0.03 0.00 -0.52 0.00 0.00 57.07 56.92 1x4f s TYR 38 Cb -0.15 -3.07 -0.04 0.00 0.38 0.00 0.00 41.96 39.07 1x4f s TYR 38 CO 0.50 -1.46 0.23 -1.12 -1.52 0.00 0.00 175.55 172.18 1x4f s SER 39 N -4.60 6.40 0.28 -0.18 0.01 -1.26 -4.99 113.70 109.37 1x4f s SER 39 Ca 0.63 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 58.25 1x4f s SER 39 Cb -0.08 -2.01 0.61 0.00 0.21 0.00 0.00 66.02 64.74 1x4f s SER 39 CO 0.43 0.21 1.49 -0.90 0.41 0.00 0.00 173.24 174.88 1x4f n ASP 40 N 0.70 -0.21 -0.33 2.44 5.75 -1.26 0.20 116.55 123.85 1x4f n ASP 40 Ca -0.08 1.62 0.02 0.00 -0.01 0.00 0.00 54.79 56.34 1x4f n ASP 40 Cb 0.52 -0.55 0.09 0.00 -1.03 0.00 0.00 41.12 40.15 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 -1.02 -1.04 -1.12 0.02 -1.97 0.77 113.55 109.19 1x4f h SER 41 Ca 0.53 0.28 0.32 0.00 -0.84 0.00 0.00 61.79 62.08 1x4f h SER 41 Cb 0.99 0.61 -0.14 0.00 0.14 0.00 0.00 62.40 64.00 1x4f h SER 41 CO -0.93 -0.30 0.61 0.00 -1.14 0.00 0.00 176.83 175.08 1x4f h ALA 42 N 1.71 2.05 0.00 3.77 0.00 -0.64 1.44 119.26 127.59 1x4f h ALA 42 Ca 0.40 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 1x4f h ALA 42 Cb 0.64 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x4f h ALA 42 CO -0.93 -0.63 -0.37 0.28 0.00 0.00 0.00 179.25 177.60 1x4f h VAL 43 N 0.33 0.70 0.00 0.00 2.07 0.47 -3.07 116.25 116.75 1x4f h VAL 43 Ca 0.72 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1x4f h VAL 43 Cb 1.71 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1x4f h VAL 43 CO -0.54 0.36 -0.58 0.18 0.02 0.00 0.00 177.57 177.01 1x4f n LEU 44 N -3.29 0.56 0.25 2.57 4.77 0.44 -3.92 117.00 118.38 1x4f n LEU 44 Ca 0.01 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.14 1x4f n LEU 44 Cb 0.61 -0.22 0.58 0.00 -2.33 0.00 0.00 43.42 42.07 1x4f n LEU 44 CO 0.38 0.06 1.00 0.11 -1.33 0.00 0.00 177.39 177.61 1x4f h LYS 45 N 0.00 0.00 -0.00 3.23 1.57 0.11 0.52 116.57 122.00 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4f h LYS 45 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1x4f h LYS 45 CO 0.00 0.08 -0.02 1.47 -0.57 0.00 0.00 179.45 180.41 1x4f n LEU 46 N -4.45 0.07 0.00 2.94 -0.00 -1.25 -3.26 117.00 111.05 1x4f n LEU 46 Ca -0.03 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1x4f n LEU 46 Cb 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1x4f n LEU 46 CO 0.35 0.01 0.26 0.00 -0.00 0.00 0.00 177.39 178.01 1x4f n ALA 47 N -1.22 1.56 0.21 1.47 0.00 0.10 -4.77 120.51 117.85 1x4f n ALA 47 Ca 0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 1x4f n ALA 47 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.57 0.00 0.00 4.39 -0.05 -2.92 114.58 115.43 1x4f h GLU 48 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1x4f h GLU 48 Cb 0.41 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1x4f h GLU 48 CO 0.00 -0.38 0.00 -0.35 -1.16 0.00 0.00 179.01 177.12 1x4f n PRO 49 N -4.92 0.49 -0.08 2.33 -0.04 -1.26 -2.50 135.00 129.02 1x4f n PRO 49 Ca -0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1x4f n PRO 49 Cb 0.24 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.36 0.00 0.54 4.02 -1.20 -5.07 117.16 114.94 1x4f n TYR 50 Ca 0.09 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1x4f n TYR 50 Cb 0.04 -1.05 0.00 0.00 -0.02 0.00 0.00 39.34 38.31 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4f n GLY 51 N 1.99 0.67 3.65 2.72 0.00 -1.04 -4.36 105.19 108.82 1x4f n GLY 51 Ca -0.36 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1x4f n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 52 N -2.00 4.10 -0.77 1.61 3.01 -1.26 -4.50 119.74 119.93 1x4f s LYS 52 Ca 0.00 2.04 -0.25 0.00 -1.01 0.00 0.00 55.97 56.74 1x4f s LYS 52 Cb 0.00 -3.98 -0.03 0.00 -1.01 0.00 0.00 37.83 32.82 1x4f s LYS 52 CO 0.00 -0.93 1.85 0.42 0.51 0.00 0.00 175.35 177.20 1x4f s ILE 53 N 4.25 3.44 0.21 2.17 1.01 -1.26 -1.37 121.20 129.65 1x4f s ILE 53 Ca 0.71 -0.10 0.18 0.00 0.00 0.00 0.00 60.65 61.44 1x4f s ILE 53 Cb -0.31 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.22 1x4f s ILE 53 CO 0.28 -1.03 1.75 0.11 0.00 0.00 0.00 174.94 176.06 1x4f h LYS 54 N 12.77 0.00 -1.60 2.79 6.56 -1.75 -3.46 116.57 131.88 1x4f h LYS 54 Ca -0.07 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.58 1x4f h LYS 54 Cb 1.08 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.50 1x4f h LYS 54 CO 1.23 0.38 0.49 -0.80 -2.06 0.00 0.00 179.45 178.69 1x4f s ASN 55 N -6.49 -0.42 0.04 0.86 -0.87 -1.21 -5.04 114.94 101.80 1x4f s ASN 55 Ca -0.00 0.58 -0.03 0.00 -1.57 0.00 0.00 52.86 51.84 1x4f s ASN 55 Cb 0.12 0.51 -0.02 0.00 -0.02 0.00 0.00 41.25 41.84 1x4f s ASN 55 CO 0.69 -0.29 0.03 -0.72 -2.57 0.00 0.00 177.10 174.24 1x4f s TYR 56 N -0.66 0.30 -0.11 2.20 1.13 -1.26 -0.56 117.35 118.39 1x4f s TYR 56 Ca -0.01 -0.66 -0.02 0.00 -1.41 0.00 0.00 57.07 54.98 1x4f s TYR 56 Cb -0.02 -0.22 0.04 0.00 -1.10 0.00 0.00 41.96 40.66 1x4f s TYR 56 CO -0.00 -0.33 0.02 0.42 -2.51 0.00 0.00 175.55 173.15 1x4f s ILE 57 N -2.66 0.35 -0.58 -3.49 -1.09 0.14 -4.95 121.20 108.91 1x4f s ILE 57 Ca -0.05 -0.04 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 1x4f s ILE 57 Cb -0.01 -0.63 0.15 0.00 -1.58 0.00 0.00 42.46 40.39 1x4f s ILE 57 CO -0.05 0.10 0.48 -0.22 -1.23 0.00 0.00 174.94 174.02 1x4f s LEU 58 N 1.97 5.96 -0.39 2.97 1.98 -1.26 -0.81 118.68 129.11 1x4f s LEU 58 Ca 0.03 -2.17 -0.16 0.00 -2.89 0.00 0.00 54.13 48.94 1x4f s LEU 58 Cb -0.14 -2.07 0.01 0.00 0.66 0.00 0.00 46.19 44.65 1x4f s LEU 58 CO -0.06 -0.66 0.37 -0.04 -1.89 0.00 0.00 176.35 174.07 1x4f s MET 59 N 0.98 3.26 0.22 1.98 -1.94 0.81 -4.92 119.30 119.69 1x4f s MET 59 Ca 0.09 -0.68 0.25 0.00 -1.71 0.00 0.00 55.69 53.65 1x4f s MET 59 Cb -0.23 -3.90 0.65 0.00 2.01 0.00 0.00 34.83 33.36 1x4f s MET 59 CO -0.02 -0.69 1.66 0.00 -0.01 0.00 0.00 175.02 175.95 1x4f h ARG 60 N 8.60 0.00 0.00 2.03 3.08 -1.97 -0.57 114.38 125.56 1x4f h ARG 60 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1x4f h ARG 60 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1x4f h ARG 60 CO 0.74 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 178.31 1x4f n MET 61 N -2.34 0.00 -1.90 0.04 2.81 -1.26 -3.17 117.12 111.30 1x4f n MET 61 Ca 0.05 0.58 -0.30 0.00 -1.81 0.00 0.00 57.70 56.23 1x4f n MET 61 Cb 0.45 -1.17 0.04 0.00 -0.71 0.00 0.00 33.22 31.82 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x4f n LYS 62 N -1.56 3.22 -3.99 0.03 5.02 -1.26 -4.93 118.16 114.69 1x4f n LYS 62 Ca 0.00 -3.90 -0.34 0.00 -2.02 0.00 0.00 58.31 52.04 1x4f n LYS 62 Cb 0.00 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 32.73 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 -0.71 -2.37 -4.29 4.39 7.64 -1.19 -4.77 113.62 112.33 1x4f n SER 63 Ca 0.50 -1.15 -0.19 0.00 1.01 0.00 0.00 58.87 59.04 1x4f n SER 63 Cb 0.74 -2.46 -0.11 0.00 -1.01 0.00 0.00 64.21 61.36 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 -6.83 1.16 -0.02 1.43 -0.21 -0.22 -2.91 119.66 112.06 1x4f s GLN 64 Ca 0.26 -1.36 -0.26 0.00 0.02 0.00 0.00 55.36 54.02 1x4f s GLN 64 Cb -0.12 -1.08 0.06 0.00 1.00 0.00 0.00 33.01 32.87 1x4f s GLN 64 CO 0.93 0.21 0.57 0.00 -2.12 0.00 0.00 175.29 174.87 1x4f s ALA 65 N -2.27 -1.46 -0.15 6.09 0.00 -0.98 -0.13 121.76 122.87 1x4f s ALA 65 Ca 0.13 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1x4f s ALA 65 Cb -0.04 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1x4f s ALA 65 CO 0.05 -0.37 -0.11 -0.06 0.00 0.00 0.00 175.76 175.27 1x4f s PHE 66 N -1.45 1.95 -0.31 0.00 0.40 0.01 -0.85 117.98 117.74 1x4f s PHE 66 Ca -0.11 -1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 55.08 1x4f s PHE 66 Cb -0.01 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1x4f s PHE 66 CO 0.07 -0.63 0.04 0.42 0.70 0.00 0.00 175.22 175.82 1x4f s ILE 67 N 1.56 3.36 -0.58 0.64 1.01 -0.07 0.24 121.20 127.35 1x4f s ILE 67 Ca 0.04 -1.18 -0.23 0.00 0.00 0.00 0.00 60.65 59.28 1x4f s ILE 67 Cb -0.13 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.52 1x4f s ILE 67 CO -0.09 -0.08 0.90 -0.70 0.00 0.00 0.00 174.94 174.97 1x4f s GLU 68 N 1.34 3.23 1.19 2.79 2.12 0.27 -0.25 118.70 129.39 1x4f s GLU 68 Ca -0.03 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.62 1x4f s GLU 68 Cb -0.19 -4.12 0.29 0.00 0.26 0.00 0.00 34.13 30.38 1x4f s GLU 68 CO 0.00 -1.55 1.02 -1.64 -0.54 0.00 0.00 175.26 172.55 1x4f s MET 69 N 3.78 -1.11 0.24 4.30 -1.94 -1.25 -2.68 119.30 120.63 1x4f s MET 69 Ca 0.25 0.70 0.07 0.00 -1.71 0.00 0.00 55.69 55.00 1x4f s MET 69 Cb -0.15 -1.54 0.24 0.00 2.01 0.00 0.00 34.83 35.39 1x4f s MET 69 CO 0.15 -3.81 1.54 1.49 -0.01 0.00 0.00 175.02 174.38 1x4f h GLU 70 N -2.68 0.12 0.00 2.03 4.81 -1.51 -3.41 114.58 113.94 1x4f h GLU 70 Ca -0.61 -0.10 -0.25 0.00 -0.13 0.00 0.00 59.36 58.27 1x4f h GLU 70 Cb 1.34 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.67 1x4f h GLU 70 CO 0.50 0.74 -0.23 0.25 -0.73 0.00 0.00 179.01 179.54 1x4f n THR 71 N -3.79 0.00 0.08 0.32 -2.24 -1.26 -5.02 114.28 102.37 1x4f n THR 71 Ca -0.02 -1.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.25 1x4f n THR 71 Cb 0.66 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 1x4f n THR 71 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1x4f h ARG 72 N 0.00 0.25 -0.24 -0.78 2.43 -1.95 -3.28 114.38 110.82 1x4f h ARG 72 Ca -0.15 -0.44 0.05 0.00 -0.81 0.00 0.00 59.98 58.63 1x4f h ARG 72 Cb 0.72 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1x4f h ARG 72 CO 0.21 1.16 -0.06 0.93 -1.51 0.00 0.00 179.97 180.70 1x4f h GLU 73 N 0.07 0.00 0.00 0.20 3.07 -1.97 -1.57 114.58 114.38 1x4f h GLU 73 Ca -0.18 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1x4f h GLU 73 Cb 1.99 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1x4f h GLU 73 CO 0.18 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.55 1x4f n ASP 74 N -5.21 0.00 -0.29 1.42 8.00 -1.25 -1.63 116.55 117.58 1x4f n ASP 74 Ca -0.02 0.91 0.03 0.00 0.71 0.00 0.00 54.79 56.43 1x4f n ASP 74 Cb 0.14 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 40.92 1x4f n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4f n ALA 75 N -1.79 0.12 -0.15 2.24 0.00 -1.22 0.15 120.51 119.85 1x4f n ALA 75 Ca 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 53.44 54.26 1x4f n ALA 75 Cb 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 19.45 19.02 1x4f n ALA 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x4f h MET 76 N 0.00 0.32 -0.10 0.00 2.86 -1.21 0.63 114.93 117.43 1x4f h MET 76 Ca 0.36 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.01 1x4f h MET 76 Cb 0.56 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1x4f h MET 76 CO -0.81 0.21 0.15 0.00 1.06 0.00 0.00 176.91 177.52 1x4f h ALA 77 N 1.33 1.54 0.23 6.32 0.00 0.23 0.08 119.26 128.99 1x4f h ALA 77 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x4f h ALA 77 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x4f h ALA 77 CO -0.25 -0.20 -0.11 1.98 0.00 0.00 0.00 179.25 180.67 1x4f h MET 78 N 0.00 -0.29 -0.74 0.00 4.05 -0.23 -1.88 114.93 115.84 1x4f h MET 78 Ca 0.05 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1x4f h MET 78 Cb 0.35 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1x4f h MET 78 CO -0.00 -0.16 0.49 -0.39 0.23 0.00 0.00 176.91 177.07 1x4f h VAL 79 N -1.07 1.15 -0.37 -5.77 -1.51 -1.14 -2.31 116.25 105.23 1x4f h VAL 79 Ca -0.03 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 65.02 1x4f h VAL 79 Cb 0.26 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 1x4f h VAL 79 CO 0.05 0.17 -0.14 0.44 -1.23 0.00 0.00 177.57 176.87 1x4f h ASP 80 N 0.95 0.76 -0.03 4.19 3.32 -1.10 -2.50 116.42 122.02 1x4f h ASP 80 Ca 0.28 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1x4f h ASP 80 Cb -0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1x4f h ASP 80 CO -0.07 0.98 0.04 -0.74 -1.72 0.00 0.00 179.24 177.73 1x4f h HIS 81 N 0.54 0.00 0.00 4.55 2.76 -0.78 -0.10 115.15 122.11 1x4f h HIS 81 Ca 0.09 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.11 1x4f h HIS 81 Cb 0.67 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1x4f h HIS 81 CO 0.05 0.00 -1.14 0.00 -1.30 0.00 0.00 177.93 175.55 1x4f h LEU 83 N 0.00 -0.21 -0.01 0.00 3.38 -0.59 -3.33 115.31 114.55 1x4f h LEU 83 Ca -0.11 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 1x4f h LEU 83 Cb 1.53 0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.35 1x4f h LEU 83 CO 0.05 0.21 -0.54 0.11 0.09 0.00 0.00 178.44 178.36 1x4f h LYS 84 N -0.67 0.38 -6.34 1.13 6.56 -1.64 -3.46 116.57 112.53 1x4f h LYS 84 Ca -0.02 -0.40 -0.60 0.00 -1.06 0.00 0.00 60.65 58.56 1x4f h LYS 84 Cb 0.48 0.11 -0.13 0.00 -0.57 0.00 0.00 32.23 32.12 1x4f h LYS 84 CO 0.04 1.07 -0.71 0.15 -2.06 0.00 0.00 179.45 177.94 1x4f s LYS 85 N -3.24 2.05 -0.43 3.15 3.01 -0.93 -5.10 119.74 118.25 1x4f s LYS 85 Ca -0.14 -1.40 -0.21 0.00 -1.01 0.00 0.00 55.97 53.21 1x4f s LYS 85 Cb 0.03 -2.09 0.02 0.00 -1.01 0.00 0.00 37.83 34.79 1x4f s LYS 85 CO 0.81 0.40 0.66 0.00 0.51 0.00 0.00 175.35 177.73 1x4f s ALA 86 N -2.01 3.35 -0.06 5.17 0.00 -1.26 -3.62 121.76 123.32 1x4f s ALA 86 Ca 0.27 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1x4f s ALA 86 Cb -0.07 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1x4f s ALA 86 CO 0.16 -1.77 1.19 -1.17 0.00 0.00 0.00 175.76 174.17 1x4f s LEU 87 N 2.88 4.27 -0.15 0.00 0.20 -1.26 -5.02 118.68 119.60 1x4f s LEU 87 Ca 0.24 1.80 -0.00 0.00 0.69 0.00 0.00 54.13 56.85 1x4f s LEU 87 Cb -0.14 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.05 1x4f s LEU 87 CO 0.19 -0.58 -0.13 0.26 -0.29 0.00 0.00 176.35 175.80 1x4f s TRP 88 N 2.23 2.82 -0.27 5.38 0.52 -1.26 -3.42 118.94 124.94 1x4f s TRP 88 Ca 0.55 -0.79 0.02 0.00 0.02 0.00 0.00 56.10 55.90 1x4f s TRP 88 Cb -0.24 -1.88 0.07 0.00 -1.15 0.00 0.00 33.47 30.27 1x4f s TRP 88 CO 0.22 -0.32 -0.04 0.12 0.02 0.00 0.00 176.95 176.94 1x4f s PHE 89 N 0.60 2.90 -1.66 -1.98 5.36 0.44 -4.70 117.98 118.94 1x4f s PHE 89 Ca -0.08 -2.20 0.00 0.00 -0.96 0.00 0.00 56.93 53.70 1x4f s PHE 89 Cb -0.16 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1x4f s PHE 89 CO 0.03 -0.85 0.00 1.04 -1.46 0.00 0.00 175.22 173.98 1x4f n GLN 90 N 4.52 -1.35 -0.61 10.12 1.13 -1.26 -1.64 117.38 128.30 1x4f n GLN 90 Ca -0.08 0.96 0.00 0.00 -1.94 0.00 0.00 57.00 55.94 1x4f n GLN 90 Cb 0.43 -5.36 0.00 0.00 0.11 0.00 0.00 30.24 25.42 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 -0.93 0.64 3.06 1.08 0.00 -1.26 -5.05 105.19 102.73 1x4f n GLY 91 Ca -0.20 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.04 2.03 -0.95 1.61 0.52 -0.65 -5.04 118.95 115.42 1x4f s ARG 92 Ca 0.00 -0.52 -0.20 0.00 -0.52 0.00 0.00 55.73 54.49 1x4f s ARG 92 Cb 0.00 -1.65 -0.11 0.00 0.52 0.00 0.00 34.95 33.72 1x4f s ARG 92 CO 0.00 0.04 2.01 0.00 0.02 0.00 0.00 175.30 177.37 1x4f s VAL 94 N 4.52 2.33 -0.21 0.00 0.11 -1.22 -4.95 120.40 120.99 1x4f s VAL 94 Ca 0.55 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.80 1x4f s VAL 94 Cb 0.14 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 1x4f s VAL 94 CO 0.06 0.08 0.28 -0.75 -3.33 0.00 0.00 175.10 171.44 1x4f s LYS 95 N -1.89 4.16 -0.30 1.54 2.20 0.22 -4.71 119.74 120.96 1x4f s LYS 95 Ca 0.52 -0.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 1x4f s LYS 95 Cb -0.44 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.45 1x4f s LYS 95 CO 0.58 0.07 -0.02 0.54 -0.36 0.00 0.00 175.35 176.17 1x4f s VAL 96 N 0.99 2.46 0.04 4.02 0.11 -1.26 -0.75 120.40 126.01 1x4f s VAL 96 Ca 0.14 -1.83 0.05 0.00 -2.93 0.00 0.00 61.98 57.42 1x4f s VAL 96 Cb -0.14 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 1x4f s VAL 96 CO 0.05 -0.26 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.60 1x4f s ASP 97 N 1.14 1.79 -0.00 3.54 1.01 -0.45 -4.13 116.67 119.56 1x4f s ASP 97 Ca -0.01 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.50 1x4f s ASP 97 Cb -0.20 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.57 1x4f s ASP 97 CO -0.05 0.06 1.10 -0.76 0.21 0.00 0.00 175.17 175.73 1x4f s LEU 98 N -1.08 4.34 -0.05 1.23 1.02 -1.26 -0.44 118.68 122.44 1x4f s LEU 98 Ca 0.03 1.79 -0.21 0.00 0.02 0.00 0.00 54.13 55.76 1x4f s LEU 98 Cb -0.08 -3.57 -0.16 0.00 0.02 0.00 0.00 46.19 42.41 1x4f s LEU 98 CO 0.01 -0.42 0.87 0.77 0.02 0.00 0.00 176.35 177.61 1x4f h SER 99 N 6.97 -0.19 -5.34 2.29 4.64 -1.74 -3.47 113.55 116.71 1x4f h SER 99 Ca -0.39 -0.34 -0.17 0.00 -0.47 0.00 0.00 61.79 60.42 1x4f h SER 99 Cb 1.20 0.05 0.14 0.00 -0.31 0.00 0.00 62.40 63.47 1x4f h SER 99 CO 0.81 0.36 -0.59 1.21 -0.87 0.00 0.00 176.83 177.74 1x4f n GLU 100 N -4.93 -1.91 0.00 4.77 2.13 -1.26 -4.83 120.64 114.61 1x4f n GLU 100 Ca -0.08 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.76 1x4f n GLU 100 Cb 0.26 -5.66 0.00 0.00 0.27 0.00 0.00 31.44 26.31 1x4f n GLU 100 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1x4f n LYS 101 N -2.76 0.00 -0.07 5.31 2.85 -1.26 -4.96 118.16 117.27 1x4f n LYS 101 Ca -0.05 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.20 1x4f n LYS 101 Cb 0.58 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 35.22 1x4f n LYS 101 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1x4f h TYR 102 N 0.00 0.70 0.00 5.58 -1.99 -1.93 -3.45 116.97 115.88 1x4f h TYR 102 Ca 0.00 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1x4f h TYR 102 Cb 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.52 1x4f h TYR 102 CO 0.00 0.59 0.00 1.17 -0.00 0.00 0.00 178.16 179.92 1x4f n LYS 103 N -4.31 0.00 -3.62 4.88 3.00 -1.26 -4.77 118.16 112.08 1x4f n LYS 103 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.27 1x4f n LYS 103 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.21 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1x4f s LYS 104 N 0.00 1.11 -0.56 1.64 0.00 -1.26 -3.89 119.74 116.78 1x4f s LYS 104 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 55.97 55.25 1x4f s LYS 104 Cb 0.00 0.44 0.08 0.00 0.00 0.00 0.00 37.83 38.35 1x4f s LYS 104 CO 0.00 -0.50 0.69 -0.51 0.00 0.00 0.00 175.35 175.03 1x4f s LEU 105 N -2.74 5.15 -0.03 2.77 1.43 -1.26 -4.66 118.68 119.34 1x4f s LEU 105 Ca 0.08 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1x4f s LEU 105 Cb -0.02 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1x4f s LEU 105 CO -0.04 -1.05 0.47 0.55 0.23 0.00 0.00 176.35 176.51 1x4f n VAL 106 N 5.60 0.00 -1.41 -1.59 3.14 -1.26 -5.05 118.33 117.76 1x4f n VAL 106 Ca -0.08 -0.09 0.18 0.00 -2.96 0.00 0.00 64.34 61.39 1x4f n VAL 106 Cb 0.44 0.39 -0.08 0.00 -1.06 0.00 0.00 33.84 33.53 1x4f n VAL 106 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1x4f n SER 107 N -0.14 -8.08 -4.88 6.55 7.64 -1.26 -4.88 113.62 108.57 1x4f n SER 107 Ca -0.03 1.22 -0.35 0.00 1.01 0.00 0.00 58.87 60.72 1x4f n SER 107 Cb 0.47 -4.71 -0.05 0.00 -1.01 0.00 0.00 64.21 58.90 1x4f n SER 107 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4f s GLY 108 N -7.19 2.25 0.71 0.23 0.00 -1.26 -5.06 107.32 97.00 1x4f s GLY 108 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 44.02 1x4f s GLY 108 CO 0.00 -0.38 1.10 2.56 0.00 0.00 0.00 173.10 176.38 1x4f s PRO 109 N -1.76 2.57 -0.02 2.90 0.04 -1.26 -4.66 135.00 132.81 1x4f s PRO 109 Ca 0.28 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1x4f s PRO 109 Cb -0.13 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1x4f s PRO 109 CO 0.16 -1.42 0.04 0.43 0.04 0.00 0.00 177.00 176.25 1x4f n SER 110 N -2.89 -6.13 -0.09 6.66 7.64 -1.26 -4.89 113.62 112.67 1x4f n SER 110 Ca 0.10 1.58 -0.12 0.00 1.01 0.00 0.00 58.87 61.43 1x4f n SER 110 Cb 0.52 -4.28 -0.05 0.00 -1.01 0.00 0.00 64.21 59.40 1x4f n SER 110 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x4f h SER 111 N 4.27 0.53 0.00 6.43 0.87 -1.99 -3.50 113.55 120.17 1x4f h SER 111 Ca -0.09 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1x4f h SER 111 Cb 0.19 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1x4f h SER 111 CO 0.00 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 177.73