#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 3.31 0.00 1.61 1.04 -1.26 -4.99 113.70 113.40 1x4f s SER 2 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1x4f s SER 2 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1x4f s SER 2 CO 0.00 -2.78 0.00 -1.54 0.98 0.00 0.00 173.24 169.90 1x4f n SER 3 N -3.99 0.48 -3.02 7.02 3.41 -1.26 -5.10 113.62 111.15 1x4f n SER 3 Ca 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.62 1x4f n SER 3 Cb 0.54 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1x4f n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4f n GLY 4 N 2.08 -1.20 0.51 5.00 0.00 -1.26 -4.99 105.19 105.33 1x4f n GLY 4 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4f n SER 5 N -1.02 1.94 -4.76 1.61 3.41 -1.26 -5.07 113.62 108.47 1x4f n SER 5 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.34 1x4f n SER 5 Cb 0.50 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.56 1x4f n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4f s SER 6 N -4.42 4.12 1.09 4.04 0.15 -1.26 -5.04 113.70 112.38 1x4f s SER 6 Ca 0.00 1.59 -0.07 0.00 0.70 0.00 0.00 55.95 58.17 1x4f s SER 6 Cb 0.00 -2.30 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 1x4f s SER 6 CO 0.00 -2.24 0.32 0.61 1.20 0.00 0.00 173.24 173.12 1x4f n GLY 7 N -1.36 -2.84 0.49 9.45 0.00 -1.26 -5.04 105.19 104.63 1x4f n GLY 7 Ca 0.08 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1x4f n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 8 N -2.68 0.00 -3.60 1.61 5.02 -1.26 -5.13 118.16 112.12 1x4f n LYS 8 Ca 0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 1x4f n LYS 8 Cb 0.18 -0.58 -0.06 0.00 -0.02 0.00 0.00 35.03 34.55 1x4f n LYS 8 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x4f s LYS 9 N -1.65 0.48 0.00 1.97 1.02 -1.26 -5.02 119.74 115.29 1x4f s LYS 9 Ca 0.00 0.24 0.14 0.00 0.02 0.00 0.00 55.97 56.37 1x4f s LYS 9 Cb 0.00 0.23 0.65 0.00 -0.52 0.00 0.00 37.83 38.19 1x4f s LYS 9 CO 0.00 -0.13 1.44 -0.35 -0.92 0.00 0.00 175.35 175.40 1x4f n PRO 10 N 1.13 0.06 0.00 -1.68 -0.04 -1.26 -4.89 135.00 128.33 1x4f n PRO 10 Ca -0.10 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1x4f n PRO 10 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1x4f n PRO 10 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4f n GLU 11 N -1.44 0.00 0.00 0.54 2.13 -1.26 -4.86 120.64 115.75 1x4f n GLU 11 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1x4f n GLU 11 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.86 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x4f n GLY 12 N 0.00 1.24 3.03 8.31 0.00 -1.26 -4.93 105.19 111.57 1x4f n GLY 12 Ca 0.00 -2.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 1x4f n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4f s LYS 13 N -1.24 2.86 0.27 1.61 2.47 -1.26 -5.08 119.74 119.37 1x4f s LYS 13 Ca 0.00 -3.18 -0.29 0.00 -1.56 0.00 0.00 55.97 50.94 1x4f s LYS 13 Cb 0.00 -3.73 -0.10 0.00 -1.46 0.00 0.00 37.83 32.55 1x4f s LYS 13 CO 0.00 -1.25 1.26 -1.25 0.16 0.00 0.00 175.35 174.26 1x4f s PRO 14 N -1.18 4.44 0.25 4.03 0.04 -1.26 -5.04 135.00 136.28 1x4f s PRO 14 Ca 0.25 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1x4f s PRO 14 Cb -0.09 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1x4f s PRO 14 CO -0.12 -0.11 0.09 0.34 0.04 0.00 0.00 177.00 177.24 1x4f s ASP 15 N -0.27 1.14 0.58 6.66 2.15 -1.26 -5.15 116.67 120.52 1x4f s ASP 15 Ca 0.51 -1.38 -0.18 0.00 0.43 0.00 0.00 52.55 51.94 1x4f s ASP 15 Cb -0.37 0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.39 1x4f s ASP 15 CO 0.45 -0.73 1.10 0.00 -0.17 0.00 0.00 175.17 175.82 1x4f s GLN 16 N -4.04 3.23 -0.14 4.34 -2.07 -1.26 -4.99 119.66 114.73 1x4f s GLN 16 Ca 0.37 1.45 -0.25 0.00 -1.82 0.00 0.00 55.36 55.11 1x4f s GLN 16 Cb 0.08 -2.00 -0.25 0.00 -1.09 0.00 0.00 33.01 29.74 1x4f s GLN 16 CO 0.13 -0.92 0.61 0.87 -1.32 0.00 0.00 175.29 174.67 1x4f h LYS 17 N 0.75 0.06 -2.42 9.60 1.79 -2.03 -3.50 116.57 120.83 1x4f h LYS 17 Ca -0.48 -0.11 0.15 0.00 -2.18 0.00 0.00 60.65 58.03 1x4f h LYS 17 Cb 1.25 0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 31.85 1x4f h LYS 17 CO 0.56 1.05 0.45 -0.59 -1.08 0.00 0.00 179.45 179.84 1x4f s PHE 18 N -2.31 -0.18 0.28 -1.35 -0.12 -1.26 -5.15 117.98 107.88 1x4f s PHE 18 Ca -0.21 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 1x4f s PHE 18 Cb 0.01 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 1x4f s PHE 18 CO 0.69 -0.83 0.00 -0.25 -0.05 0.00 0.00 175.22 174.78 1x4f n ASP 19 N -0.43 -6.95 -4.17 1.98 9.92 -1.26 -4.85 116.55 110.78 1x4f n ASP 19 Ca -0.07 0.48 -0.28 0.00 -0.53 0.00 0.00 54.79 54.40 1x4f n ASP 19 Cb 0.61 -3.66 -0.16 0.00 -0.64 0.00 0.00 41.12 37.26 1x4f n ASP 19 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1x4f s GLN 20 N -2.06 2.16 -0.15 -1.24 0.74 -1.26 -4.94 119.66 112.91 1x4f s GLN 20 Ca 0.00 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1x4f s GLN 20 Cb 0.00 -1.81 0.02 0.00 1.10 0.00 0.00 33.01 32.32 1x4f s GLN 20 CO 0.00 0.25 0.09 1.17 -0.55 0.00 0.00 175.29 176.25 1x4f n LYS 21 N 3.21 -2.58 -4.22 1.67 4.81 -1.26 -5.10 118.16 114.69 1x4f n LYS 21 Ca -0.19 2.18 -0.17 0.00 -0.87 0.00 0.00 58.31 59.26 1x4f n LYS 21 Cb 0.53 -3.64 -0.07 0.00 0.02 0.00 0.00 35.03 31.86 1x4f n LYS 21 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1x4f s GLN 22 N -0.89 1.71 0.11 1.64 0.74 -1.26 -5.11 119.66 116.59 1x4f s GLN 22 Ca -0.10 -1.89 -0.30 0.00 0.05 0.00 0.00 55.36 53.12 1x4f s GLN 22 Cb 0.01 0.35 -0.17 0.00 1.10 0.00 0.00 33.01 34.30 1x4f s GLN 22 CO 0.50 -0.65 0.68 0.39 -0.55 0.00 0.00 175.29 175.66 1x4f n GLU 23 N -0.55 0.00 -4.05 1.67 1.02 -1.26 -4.93 120.64 112.54 1x4f n GLU 23 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 1x4f n GLU 23 Cb 0.63 -1.10 -0.15 0.00 -0.02 0.00 0.00 31.44 30.79 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4f s LEU 24 N 1.62 2.89 -0.06 -4.62 1.43 -1.26 -5.09 118.68 113.59 1x4f s LEU 24 Ca 0.69 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1x4f s LEU 24 Cb -0.98 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1x4f s LEU 24 CO 0.52 -0.10 1.31 -0.83 0.23 0.00 0.00 176.35 177.48 1x4f s GLY 25 N 1.25 1.88 -0.44 -3.19 0.00 -1.26 -4.99 107.32 100.57 1x4f s GLY 25 Ca -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 1x4f s GLY 25 CO -0.08 2.43 0.30 0.50 0.00 0.00 0.00 173.10 176.26 1x4f s ARG 26 N 2.67 2.61 -0.07 2.90 0.52 -1.18 -4.83 118.95 121.57 1x4f s ARG 26 Ca 0.59 -1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1x4f s ARG 26 Cb -0.27 -3.87 0.03 0.00 0.52 0.00 0.00 34.95 31.36 1x4f s ARG 26 CO 0.22 -1.04 0.00 0.08 0.02 0.00 0.00 175.30 174.59 1x4f s VAL 27 N 1.43 0.36 -0.51 3.52 1.01 -1.26 -4.13 120.40 120.83 1x4f s VAL 27 Ca 0.04 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 1x4f s VAL 27 Cb -0.24 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.67 1x4f s VAL 27 CO 0.02 0.25 0.70 -0.63 0.00 0.00 0.00 175.10 175.44 1x4f s ILE 28 N 1.89 4.75 -0.13 2.22 -1.09 -0.36 -0.19 121.20 128.29 1x4f s ILE 28 Ca 0.04 -0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 57.96 1x4f s ILE 28 Cb -0.12 -4.34 -0.01 0.00 -1.58 0.00 0.00 42.46 36.40 1x4f s ILE 28 CO -0.05 -0.84 0.95 -2.28 -1.23 0.00 0.00 174.94 171.49 1x4f s HIS 29 N 2.97 3.48 -0.27 3.97 5.65 0.13 -1.10 115.29 130.12 1x4f s HIS 29 Ca 0.20 1.48 0.02 0.00 0.25 0.00 0.00 55.06 57.01 1x4f s HIS 29 Cb -0.17 -3.13 0.06 0.00 -1.18 0.00 0.00 32.58 28.16 1x4f s HIS 29 CO 0.15 -0.23 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.42 1x4f s LEU 30 N 2.04 3.57 0.53 8.88 1.43 0.75 -1.25 118.68 134.63 1x4f s LEU 30 Ca 0.45 -1.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1x4f s LEU 30 Cb -0.18 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1x4f s LEU 30 CO 0.16 -0.21 0.54 -0.44 0.23 0.00 0.00 176.35 176.64 1x4f s SER 31 N 1.12 4.89 -0.87 2.29 0.01 0.34 -1.66 113.70 119.82 1x4f s SER 31 Ca -0.08 -1.01 -0.04 0.00 1.31 0.00 0.00 55.95 56.13 1x4f s SER 31 Cb -0.20 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1x4f s SER 31 CO -0.04 -1.12 0.64 -3.20 0.41 0.00 0.00 173.24 169.92 1x4f n ASN 32 N -1.91 -5.26 -4.82 2.44 2.85 -1.25 -1.78 115.26 105.52 1x4f n ASN 32 Ca 0.06 -0.86 -0.26 0.00 -0.11 0.00 0.00 54.58 53.40 1x4f n ASN 32 Cb 0.63 -2.32 -0.05 0.00 1.24 0.00 0.00 39.78 39.28 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x4f s LEU 33 N -5.13 3.90 0.00 1.20 1.43 -1.14 -2.64 118.68 116.30 1x4f s LEU 33 Ca 0.07 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1x4f s LEU 33 Cb -0.03 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1x4f s LEU 33 CO 0.88 0.07 0.00 -0.81 0.23 0.00 0.00 176.35 176.72 1x4f n PRO 34 N -0.36 0.19 -2.67 1.29 -0.04 -1.26 -4.94 135.00 127.21 1x4f n PRO 34 Ca -0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1x4f n PRO 34 Cb 0.54 0.00 0.08 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 -1.31 -0.59 -1.39 0.54 -0.00 -1.26 -5.01 115.22 106.20 1x4f n HIS 35 Ca 0.00 -0.83 -0.09 0.00 0.46 0.00 0.00 57.72 57.26 1x4f n HIS 35 Cb 0.00 1.21 0.20 0.00 -0.12 0.00 0.00 29.99 31.28 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4f n SER 36 N 0.22 2.81 -2.02 0.26 7.64 -1.26 -4.91 113.62 116.36 1x4f n SER 36 Ca -0.10 -3.73 -0.11 0.00 1.01 0.00 0.00 58.87 55.94 1x4f n SER 36 Cb 0.73 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 37 N -1.11 0.21 3.94 0.23 0.00 -1.26 -5.04 105.19 102.16 1x4f n GLY 37 Ca 0.40 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.16 3.07 0.20 1.61 -0.85 -1.26 -5.08 117.35 111.88 1x4f s TYR 38 Ca 0.24 0.35 -0.12 0.00 -0.52 0.00 0.00 57.07 57.02 1x4f s TYR 38 Cb -0.10 -2.76 -0.07 0.00 0.38 0.00 0.00 41.96 39.40 1x4f s TYR 38 CO 0.35 -0.88 0.55 0.45 -1.52 0.00 0.00 175.55 174.51 1x4f s SER 39 N -4.37 6.71 0.28 -0.18 0.15 -1.26 -4.97 113.70 110.07 1x4f s SER 39 Ca 0.55 0.99 0.01 0.00 0.70 0.00 0.00 55.95 58.20 1x4f s SER 39 Cb -0.10 -2.26 0.68 0.00 -1.71 0.00 0.00 66.02 62.63 1x4f s SER 39 CO 0.42 -0.00 1.63 -2.24 1.20 0.00 0.00 173.24 174.24 1x4f h ASP 40 N 2.96 -0.16 -0.85 5.45 3.04 -2.01 0.25 116.42 125.10 1x4f h ASP 40 Ca -0.48 0.21 0.22 0.00 -3.24 0.00 0.00 57.03 53.75 1x4f h ASP 40 Cb 1.18 0.33 -0.14 0.00 -1.04 0.00 0.00 39.33 39.66 1x4f h ASP 40 CO 0.68 -0.21 0.19 0.28 -2.04 0.00 0.00 179.24 178.14 1x4f h SER 41 N 0.14 -0.07 -1.06 4.15 0.02 -1.97 0.58 113.55 115.35 1x4f h SER 41 Ca 0.54 0.19 0.28 0.00 -0.84 0.00 0.00 61.79 61.96 1x4f h SER 41 Cb 1.08 0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.82 1x4f h SER 41 CO -0.71 -0.15 0.70 0.00 -1.14 0.00 0.00 176.83 175.53 1x4f h ALA 42 N 1.76 2.43 0.00 3.77 0.00 -0.88 0.91 119.26 127.25 1x4f h ALA 42 Ca 0.52 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.40 1x4f h ALA 42 Cb 1.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1x4f h ALA 42 CO -0.65 -0.81 -0.47 0.28 0.00 0.00 0.00 179.25 177.60 1x4f h VAL 43 N 0.30 0.46 0.00 0.00 2.07 0.07 -3.22 116.25 115.92 1x4f h VAL 43 Ca 0.58 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1x4f h VAL 43 Cb 1.66 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1x4f h VAL 43 CO -0.23 0.26 -0.64 0.18 0.02 0.00 0.00 177.57 177.17 1x4f n LEU 44 N -3.10 0.59 0.32 2.57 4.77 0.26 -3.96 117.00 118.45 1x4f n LEU 44 Ca 0.01 -0.04 0.21 0.00 -0.03 0.00 0.00 56.01 56.17 1x4f n LEU 44 Cb 0.66 -0.19 1.12 0.00 -2.33 0.00 0.00 43.42 42.67 1x4f n LEU 44 CO 0.38 0.11 1.14 0.11 -1.33 0.00 0.00 177.39 177.80 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 1.57 -0.05 0.43 116.57 121.73 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x4f h LYS 45 CO 0.00 0.00 -0.06 1.47 -0.57 0.00 0.00 179.45 180.29 1x4f n LEU 46 N -2.99 1.53 0.00 2.94 -0.00 -1.25 -3.91 117.00 113.31 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 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1x4f n LEU 46 CO 0.20 0.26 0.06 0.00 -0.00 0.00 0.00 177.39 177.91 1x4f n ALA 47 N 0.09 1.14 0.41 1.47 0.00 0.65 -4.76 120.51 119.52 1x4f n ALA 47 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1x4f n ALA 47 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.01 0.00 0.00 4.39 -0.44 -1.59 114.58 115.93 1x4f h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4f h GLU 48 Cb 0.12 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1x4f h GLU 48 CO 0.00 -0.68 0.00 -0.35 -1.16 0.00 0.00 179.01 176.82 1x4f n PRO 49 N -5.20 0.39 -0.06 2.33 -0.04 -1.26 -2.60 135.00 128.55 1x4f n PRO 49 Ca -0.13 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.21 1x4f n PRO 49 Cb 0.41 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.10 0.58 -3.60 0.54 4.02 -1.08 -5.07 117.16 111.46 1x4f n TYR 50 Ca 0.10 0.14 0.01 0.00 -0.01 0.00 0.00 57.90 58.14 1x4f n TYR 50 Cb 0.08 -1.08 -0.01 0.00 -0.02 0.00 0.00 39.34 38.30 1x4f n TYR 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x4f s GLY 51 N -5.89 -0.36 -0.11 2.72 0.00 -0.62 -4.47 107.32 98.59 1x4f s GLY 51 Ca -0.24 1.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 1x4f s GLY 51 CO 0.72 0.38 1.63 0.54 0.00 0.00 0.00 173.10 176.36 1x4f s LYS 52 N -2.10 4.07 -0.81 2.90 1.02 -1.26 -4.37 119.74 119.18 1x4f s LYS 52 Ca 0.13 2.02 -0.25 0.00 0.02 0.00 0.00 55.97 57.89 1x4f s LYS 52 Cb 0.03 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1x4f s LYS 52 CO -0.05 -0.97 1.86 0.42 -0.92 0.00 0.00 175.35 175.69 1x4f s ILE 53 N 4.38 3.46 -0.03 2.17 1.01 -1.26 -0.72 121.20 130.20 1x4f s ILE 53 Ca 0.72 -0.19 0.30 0.00 0.00 0.00 0.00 60.65 61.48 1x4f s ILE 53 Cb -0.30 -4.10 0.36 0.00 0.01 0.00 0.00 42.46 38.43 1x4f s ILE 53 CO 0.28 -1.04 1.87 0.11 0.00 0.00 0.00 174.94 176.16 1x4f h LYS 54 N 12.28 0.00 -1.36 2.79 6.56 -1.74 -3.46 116.57 131.64 1x4f h LYS 54 Ca -0.02 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.71 1x4f h LYS 54 Cb 1.06 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.46 1x4f h LYS 54 CO 1.23 0.03 0.70 1.21 -2.06 0.00 0.00 179.45 180.56 1x4f s ASN 55 N -5.88 -0.24 0.15 0.86 2.47 -1.22 -5.03 114.94 106.04 1x4f s ASN 55 Ca 0.03 0.30 -0.07 0.00 0.42 0.00 0.00 52.86 53.54 1x4f s ASN 55 Cb 0.08 0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 40.11 1x4f s ASN 55 CO 0.59 -0.20 0.21 -0.72 -3.72 0.00 0.00 177.10 173.26 1x4f s TYR 56 N -0.89 0.48 -0.14 0.43 1.13 -1.26 -0.72 117.35 116.38 1x4f s TYR 56 Ca 0.03 -0.86 -0.04 0.00 -1.41 0.00 0.00 57.07 54.79 1x4f s TYR 56 Cb -0.01 -0.16 0.07 0.00 -1.10 0.00 0.00 41.96 40.76 1x4f s TYR 56 CO -0.03 -0.65 0.23 0.42 -2.51 0.00 0.00 175.55 173.01 1x4f s ILE 57 N -3.97 -0.36 -0.53 -3.49 -1.09 0.13 -4.94 121.20 106.95 1x4f s ILE 57 Ca 0.17 0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.66 1x4f s ILE 57 Cb 0.05 -0.47 0.13 0.00 -1.58 0.00 0.00 42.46 40.58 1x4f s ILE 57 CO -0.01 0.04 0.44 -0.76 -1.23 0.00 0.00 174.94 173.42 1x4f s LEU 58 N 2.37 5.96 -0.27 2.97 2.01 -1.26 -0.80 118.68 129.65 1x4f s LEU 58 Ca 0.03 -1.96 -0.14 0.00 0.01 0.00 0.00 54.13 52.07 1x4f s LEU 58 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.93 1x4f s LEU 58 CO -0.09 -0.74 0.35 -0.04 1.01 0.00 0.00 176.35 176.84 1x4f s MET 59 N 1.31 4.01 0.07 1.70 -1.94 0.62 -4.93 119.30 120.13 1x4f s MET 59 Ca 0.06 -0.01 0.23 0.00 -1.71 0.00 0.00 55.69 54.26 1x4f s MET 59 Cb -0.26 -3.65 0.07 0.00 2.01 0.00 0.00 34.83 32.99 1x4f s MET 59 CO -0.00 -0.25 1.04 0.54 -0.01 0.00 0.00 175.02 176.34 1x4f n ARG 60 N 5.26 0.32 0.36 2.03 1.74 -1.26 -1.61 116.66 123.50 1x4f n ARG 60 Ca -0.09 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1x4f n ARG 60 Cb 0.51 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 1x4f n ARG 60 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1x4f h MET 61 N 0.00 -0.88 -0.79 5.56 4.05 -1.91 -3.24 114.93 117.72 1x4f h MET 61 Ca 0.00 0.06 -0.43 0.00 -0.28 0.00 0.00 59.70 59.05 1x4f h MET 61 Cb 0.76 0.20 -0.25 0.00 -0.80 0.00 0.00 31.60 31.51 1x4f h MET 61 CO 0.00 -0.58 0.40 1.63 0.23 0.00 0.00 176.91 178.59 1x4f n LYS 62 N -4.57 2.19 -4.47 0.39 5.02 -1.26 -4.92 118.16 110.55 1x4f n LYS 62 Ca -0.11 -3.13 -0.39 0.00 -2.02 0.00 0.00 58.31 52.65 1x4f n LYS 62 Cb 0.36 -2.08 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 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 -1.11 -1.24 -4.63 4.39 7.64 -1.21 -4.82 113.62 112.63 1x4f n SER 63 Ca 0.51 -1.24 -0.27 0.00 1.01 0.00 0.00 58.87 58.89 1x4f n SER 63 Cb 1.37 -1.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 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 -7.25 1.98 -0.11 1.43 -0.21 -0.63 -2.88 119.66 111.99 1x4f s GLN 64 Ca 0.62 -2.02 -0.30 0.00 0.02 0.00 0.00 55.36 53.68 1x4f s GLN 64 Cb -0.36 -1.72 0.11 0.00 1.00 0.00 0.00 33.01 32.04 1x4f s GLN 64 CO 1.01 -0.02 0.89 0.00 -2.12 0.00 0.00 175.29 175.06 1x4f s ALA 65 N -2.67 -1.87 0.07 6.09 0.00 -0.66 -0.28 121.76 122.44 1x4f s ALA 65 Ca 0.35 1.44 0.08 0.00 0.00 0.00 0.00 51.96 53.83 1x4f s ALA 65 Cb 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1x4f s ALA 65 CO 0.18 -0.37 -0.22 -0.06 0.00 0.00 0.00 175.76 175.30 1x4f s PHE 66 N -1.37 1.89 -0.22 0.00 0.08 0.02 -0.18 117.98 118.19 1x4f s PHE 66 Ca -0.04 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 1x4f s PHE 66 Cb -0.00 -1.09 0.08 0.00 -0.57 0.00 0.00 43.02 41.44 1x4f s PHE 66 CO 0.03 0.16 0.10 0.42 -0.10 0.00 0.00 175.22 175.83 1x4f s ILE 67 N -0.95 -0.01 -0.59 0.64 1.01 -0.26 0.20 121.20 121.24 1x4f s ILE 67 Ca 0.08 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 1x4f s ILE 67 Cb -0.09 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.61 1x4f s ILE 67 CO 0.03 -0.47 1.06 -0.70 0.00 0.00 0.00 174.94 174.86 1x4f s GLU 68 N 2.09 3.37 0.95 2.79 2.12 0.10 -1.23 118.70 128.89 1x4f s GLU 68 Ca 0.05 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.14 1x4f s GLU 68 Cb -0.16 -4.06 0.16 0.00 0.26 0.00 0.00 34.13 30.33 1x4f s GLU 68 CO -0.21 -1.64 1.10 -1.64 -0.54 0.00 0.00 175.26 172.33 1x4f s MET 69 N 4.47 0.75 0.27 4.30 -1.94 -1.26 -2.43 119.30 123.46 1x4f s MET 69 Ca 0.34 1.19 0.10 0.00 -1.71 0.00 0.00 55.69 55.62 1x4f s MET 69 Cb -0.11 -1.72 0.34 0.00 2.01 0.00 0.00 34.83 35.35 1x4f s MET 69 CO 0.20 -2.70 1.60 1.49 -0.01 0.00 0.00 175.02 175.61 1x4f h GLU 70 N -1.90 0.01 -3.62 2.03 4.81 -1.21 -3.43 114.58 111.27 1x4f h GLU 70 Ca -0.49 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.54 1x4f h GLU 70 Cb 1.28 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.40 1x4f h GLU 70 CO 0.47 0.63 -0.64 0.95 -0.73 0.00 0.00 179.01 179.70 1x4f s THR 71 N -3.59 0.02 0.50 0.32 -4.23 -1.26 -5.00 115.64 102.41 1x4f s THR 71 Ca -0.01 -0.19 0.25 0.00 -1.18 0.00 0.00 61.69 60.56 1x4f s THR 71 Cb 0.13 -0.15 0.43 0.00 1.34 0.00 0.00 72.50 74.24 1x4f s THR 71 CO 0.77 -0.10 1.92 -0.09 -0.54 0.00 0.00 174.62 176.57 1x4f h ARG 72 N 5.69 0.11 -0.99 3.99 2.43 -1.94 0.34 114.38 124.00 1x4f h ARG 72 Ca -0.26 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1x4f h ARG 72 Cb 1.20 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 1x4f h ARG 72 CO 0.45 0.07 0.63 0.93 -1.51 0.00 0.00 179.97 180.55 1x4f h GLU 73 N 0.12 1.04 0.12 0.20 5.08 -1.97 -1.43 114.58 117.73 1x4f h GLU 73 Ca 0.37 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1x4f h GLU 73 Cb 1.31 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1x4f h GLU 73 CO -0.05 0.69 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.15 1x4f h ASP 74 N 1.07 -0.14 -0.91 1.42 3.32 -1.15 -2.48 116.42 117.56 1x4f h ASP 74 Ca 0.46 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.76 1x4f h ASP 74 Cb 0.33 0.04 -0.17 0.00 0.22 0.00 0.00 39.33 39.74 1x4f h ASP 74 CO -0.22 -0.02 -0.01 0.00 -1.72 0.00 0.00 179.24 177.27 1x4f n ALA 75 N -2.20 0.44 -0.21 3.45 0.00 -1.15 0.15 120.51 120.99 1x4f n ALA 75 Ca -0.02 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.33 1x4f n ALA 75 Cb 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 0.86 -0.86 0.00 2.86 -1.34 -2.36 114.93 114.09 1x4f h MET 76 Ca 0.54 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1x4f h MET 76 Cb 1.09 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1x4f h MET 76 CO -0.87 0.71 0.53 0.00 1.06 0.00 0.00 176.91 178.35 1x4f h ALA 77 N 1.11 1.33 0.47 6.32 0.00 0.19 -1.73 119.26 126.93 1x4f h ALA 77 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1x4f h ALA 77 Cb 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x4f h ALA 77 CO -0.02 0.59 -0.22 1.98 0.00 0.00 0.00 179.25 181.58 1x4f h MET 78 N 1.18 -0.60 -0.61 0.00 4.05 -0.74 -0.25 114.93 117.95 1x4f h MET 78 Ca 0.31 0.04 0.18 0.00 -0.28 0.00 0.00 59.70 59.95 1x4f h MET 78 Cb -0.08 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1x4f h MET 78 CO -0.06 -0.40 0.60 -0.39 0.23 0.00 0.00 176.91 176.89 1x4f h VAL 79 N -0.72 0.35 0.01 -5.77 -1.51 -1.42 -0.41 116.25 106.78 1x4f h VAL 79 Ca -0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1x4f h VAL 79 Cb 0.48 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1x4f h VAL 79 CO 0.11 0.00 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.66 1x4f h ASP 80 N 0.00 -0.02 0.00 4.19 3.58 -1.10 -3.13 116.42 119.94 1x4f h ASP 80 Ca 0.29 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1x4f h ASP 80 Cb 1.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1x4f h ASP 80 CO -0.00 0.76 0.21 -0.74 -2.88 0.00 0.00 179.24 176.59 1x4f h HIS 81 N -0.81 0.00 0.00 0.28 2.76 0.69 0.45 115.15 118.51 1x4f h HIS 81 Ca -0.00 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 1x4f h HIS 81 Cb 0.76 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1x4f h HIS 81 CO 0.19 0.00 -1.20 0.00 -1.30 0.00 0.00 177.93 175.63 1x4f h LEU 83 N 0.00 0.29 -0.03 0.00 3.38 -0.05 -3.31 115.31 115.59 1x4f h LEU 83 Ca -0.12 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 1x4f h LEU 83 Cb 1.56 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 42.24 1x4f h LEU 83 CO 0.05 0.69 -0.46 0.11 0.09 0.00 0.00 178.44 178.92 1x4f h LYS 84 N -0.11 0.36 -6.70 1.13 6.56 -1.68 -3.45 116.57 112.69 1x4f h LYS 84 Ca 0.02 -0.35 -0.68 0.00 -1.06 0.00 0.00 60.65 58.58 1x4f h LYS 84 Cb 0.59 0.09 -0.25 0.00 -0.57 0.00 0.00 32.23 32.10 1x4f h LYS 84 CO 0.02 1.02 -0.87 0.21 -2.06 0.00 0.00 179.45 177.78 1x4f s LYS 85 N -3.34 1.62 -0.24 3.15 2.20 -1.06 -5.10 119.74 116.96 1x4f s LYS 85 Ca -0.14 -1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 1x4f s LYS 85 Cb 0.03 -1.89 -0.00 0.00 -1.51 0.00 0.00 37.83 34.47 1x4f s LYS 85 CO 0.80 0.47 1.23 0.00 -0.36 0.00 0.00 175.35 177.49 1x4f s ALA 86 N -0.89 3.53 -0.44 3.13 0.00 -1.26 -3.78 121.76 122.06 1x4f s ALA 86 Ca 0.12 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1x4f s ALA 86 Cb -0.10 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1x4f s ALA 86 CO 0.03 -1.43 1.14 -1.17 0.00 0.00 0.00 175.76 174.33 1x4f s LEU 87 N 3.82 3.69 -0.07 0.00 0.20 -1.26 -5.02 118.68 120.04 1x4f s LEU 87 Ca 0.53 0.60 -0.03 0.00 0.69 0.00 0.00 54.13 55.92 1x4f s LEU 87 Cb -0.18 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1x4f s LEU 87 CO 0.17 -1.18 0.08 0.26 -0.29 0.00 0.00 176.35 175.38 1x4f s TRP 88 N 4.32 3.35 -0.12 5.38 0.52 -1.26 -3.86 118.94 127.28 1x4f s TRP 88 Ca 0.48 0.31 -0.04 0.00 0.02 0.00 0.00 56.10 56.87 1x4f s TRP 88 Cb -0.08 -1.82 0.05 0.00 -1.15 0.00 0.00 33.47 30.46 1x4f s TRP 88 CO 0.28 0.59 0.09 0.12 0.02 0.00 0.00 176.95 178.05 1x4f s PHE 89 N -1.04 0.10 -1.49 -1.98 5.36 -0.54 -4.86 117.98 113.54 1x4f s PHE 89 Ca 0.17 -0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 55.99 1x4f s PHE 89 Cb -0.12 -0.58 0.07 0.00 -0.34 0.00 0.00 43.02 42.06 1x4f s PHE 89 CO 0.07 -0.38 0.89 1.04 -1.46 0.00 0.00 175.22 175.37 1x4f n GLN 90 N 5.29 -5.28 -2.80 10.12 6.02 -1.26 -1.37 117.38 128.09 1x4f n GLN 90 Ca -0.05 0.62 -0.10 0.00 -0.01 0.00 0.00 57.00 57.46 1x4f n GLN 90 Cb 0.49 -5.50 0.03 0.00 1.02 0.00 0.00 30.24 26.28 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x4f n GLY 91 N -1.62 0.28 3.08 1.08 0.00 -1.26 -4.95 105.19 101.80 1x4f n GLY 91 Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.33 0.57 -0.37 1.61 1.81 -0.47 -5.04 118.95 111.72 1x4f s ARG 92 Ca 0.20 -0.82 -0.02 0.00 -1.72 0.00 0.00 55.73 53.37 1x4f s ARG 92 Cb -0.09 -0.30 0.21 0.00 -0.45 0.00 0.00 34.95 34.33 1x4f s ARG 92 CO 0.24 0.05 2.15 0.00 -0.68 0.00 0.00 175.30 177.06 1x4f n VAL 94 N 0.32 0.10 -3.08 0.00 3.14 -1.08 -4.84 118.33 112.89 1x4f n VAL 94 Ca 0.36 -0.02 -0.39 0.00 -2.96 0.00 0.00 64.34 61.32 1x4f n VAL 94 Cb 0.58 -0.75 -0.05 0.00 -1.06 0.00 0.00 33.84 32.56 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 3.40 4.42 -0.21 1.45 2.47 -0.74 -4.71 119.74 125.83 1x4f s LYS 95 Ca 1.04 0.83 -0.01 0.00 -1.56 0.00 0.00 55.97 56.26 1x4f s LYS 95 Cb -1.36 -3.44 0.01 0.00 -1.46 0.00 0.00 37.83 31.59 1x4f s LYS 95 CO 0.76 0.09 -0.11 0.54 0.16 0.00 0.00 175.35 176.79 1x4f s VAL 96 N 0.72 2.70 -0.01 4.02 0.11 -1.26 -0.51 120.40 126.17 1x4f s VAL 96 Ca 0.36 -0.84 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 1x4f s VAL 96 Cb -0.17 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1x4f s VAL 96 CO 0.17 0.39 0.09 1.51 -3.33 0.00 0.00 175.10 173.94 1x4f s ASP 97 N 1.35 0.01 -0.14 3.54 -4.77 -0.38 -4.66 116.67 111.63 1x4f s ASP 97 Ca 0.04 -0.08 -0.29 0.00 -3.30 0.00 0.00 52.55 48.92 1x4f s ASP 97 Cb -0.15 0.19 -0.02 0.00 -1.09 0.00 0.00 42.92 41.86 1x4f s ASP 97 CO -0.07 -0.21 1.24 -0.22 0.70 0.00 0.00 175.17 176.60 1x4f s LEU 98 N -0.76 4.20 0.50 2.11 2.96 -1.26 0.18 118.68 126.61 1x4f s LEU 98 Ca -0.08 1.71 -0.08 0.00 -0.22 0.00 0.00 54.13 55.46 1x4f s LEU 98 Cb -0.05 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1x4f s LEU 98 CO 0.00 -0.71 0.84 -0.55 -1.32 0.00 0.00 176.35 174.62 1x4f s SER 99 N 1.81 6.31 -0.41 3.68 0.15 0.73 -4.90 113.70 121.07 1x4f s SER 99 Ca 0.54 1.09 0.08 0.00 0.70 0.00 0.00 55.95 58.36 1x4f s SER 99 Cb -0.22 -2.32 0.26 0.00 -1.71 0.00 0.00 66.02 62.03 1x4f s SER 99 CO 0.16 -0.61 0.63 -0.62 1.20 0.00 0.00 173.24 173.99 1x4f n GLU 100 N -2.19 0.76 0.00 5.44 -0.58 -1.26 -4.27 120.64 118.53 1x4f n GLU 100 Ca 0.02 -2.93 0.00 0.00 -0.42 0.00 0.00 57.16 53.83 1x4f n GLU 100 Cb 0.55 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1x4f n LYS 101 N 1.31 0.00 0.09 3.49 4.81 -1.26 -4.95 118.16 121.64 1x4f n LYS 101 Ca 0.19 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.42 1x4f n LYS 101 Cb 0.57 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.47 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 0.66 0.00 5.64 -1.99 -1.98 -3.47 116.97 115.83 1x4f h TYR 102 Ca 0.00 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1x4f h TYR 102 Cb 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1x4f h TYR 102 CO 0.00 1.51 0.00 1.17 -0.00 0.00 0.00 178.16 180.84 1x4f n LYS 103 N -3.56 0.00 -4.12 4.88 3.00 -1.26 -4.75 118.16 112.36 1x4f n LYS 103 Ca -0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.04 1x4f n LYS 103 Cb 1.07 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 36.00 1x4f n LYS 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x4f s LYS 104 N 0.00 0.68 -0.61 1.64 1.02 -1.26 -3.12 119.74 118.10 1x4f s LYS 104 Ca 0.00 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.56 1x4f s LYS 104 Cb 0.00 0.08 0.13 0.00 -0.52 0.00 0.00 37.83 37.52 1x4f s LYS 104 CO 0.00 -0.08 0.64 -0.51 -0.92 0.00 0.00 175.35 174.48 1x4f s LEU 105 N -2.96 5.86 0.28 3.17 1.43 -1.26 -5.05 118.68 120.15 1x4f s LEU 105 Ca 0.09 -1.75 0.01 0.00 -1.03 0.00 0.00 54.13 51.45 1x4f s LEU 105 Cb 0.07 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1x4f s LEU 105 CO -0.08 -0.95 0.47 0.68 0.23 0.00 0.00 176.35 176.70 1x4f s VAL 106 N 1.96 5.16 0.00 -1.59 -7.23 -1.26 -4.92 120.40 112.52 1x4f s VAL 106 Ca 0.09 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1x4f s VAL 106 Cb -0.24 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1x4f s VAL 106 CO 0.03 -0.38 0.00 -1.54 -0.31 0.00 0.00 175.10 172.89 1x4f n SER 107 N -1.32 0.50 -4.75 4.85 3.41 -1.26 -5.08 113.62 109.97 1x4f n SER 107 Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.18 1x4f n SER 107 Cb 0.55 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1x4f n SER 107 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4f s GLY 108 N -4.58 2.82 0.34 5.00 0.00 -1.26 -4.90 107.32 104.73 1x4f s GLY 108 Ca 0.00 1.14 0.26 0.00 0.00 0.00 0.00 44.72 46.12 1x4f s GLY 108 CO 0.00 1.60 1.79 -0.56 0.00 0.00 0.00 173.10 175.92 1x4f h PRO 109 N 1.32 0.00 -5.24 2.90 0.13 -2.07 -3.46 132.00 125.58 1x4f h PRO 109 Ca -0.50 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 1x4f h PRO 109 Cb 1.29 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.51 1x4f h PRO 109 CO 0.57 0.00 -0.42 0.45 -0.23 0.00 0.00 178.00 178.37 1x4f n SER 110 N -2.46 -1.00 -3.68 1.44 2.88 -1.26 -4.94 113.62 104.60 1x4f n SER 110 Ca 0.02 0.99 -0.30 0.00 -1.33 0.00 0.00 58.87 58.25 1x4f n SER 110 Cb 0.24 -0.83 -0.13 0.00 -0.75 0.00 0.00 64.21 62.74 1x4f n SER 110 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4f s SER 111 N -0.80 3.63 0.00 -3.46 0.01 -1.26 -5.10 113.70 106.72 1x4f s SER 111 Ca 0.58 -2.36 0.21 0.00 1.31 0.00 0.00 55.95 55.69 1x4f s SER 111 Cb -0.84 -0.91 0.17 0.00 0.21 0.00 0.00 66.02 64.65 1x4f s SER 111 CO 0.49 -0.30 1.17 0.61 0.41 0.00 0.00 173.24 175.62