#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 -3.81 -3.80 1.61 2.88 -1.26 -4.87 113.62 104.37 1x4f n SER 2 Ca 0.00 0.49 -0.30 0.00 -1.33 0.00 0.00 58.87 57.72 1x4f n SER 2 Cb 0.00 -2.09 -0.15 0.00 -0.75 0.00 0.00 64.21 61.22 1x4f n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4f s SER 3 N -5.93 4.19 -0.61 -3.46 0.01 -1.26 -5.07 113.70 101.57 1x4f s SER 3 Ca 0.00 -1.83 -0.26 0.00 1.31 0.00 0.00 55.95 55.17 1x4f s SER 3 Cb 0.00 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1x4f s SER 3 CO 0.00 -0.40 1.96 -0.83 0.41 0.00 0.00 173.24 174.38 1x4f s GLY 4 N 1.37 0.08 -0.23 3.44 0.00 -1.26 -4.93 107.32 105.79 1x4f s GLY 4 Ca 0.11 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1x4f s GLY 4 CO -0.20 3.55 -0.09 -0.56 0.00 0.00 0.00 173.10 175.81 1x4f s SER 5 N 8.79 3.84 -0.30 1.64 0.01 -1.26 -4.66 113.70 121.75 1x4f s SER 5 Ca 0.72 -1.13 -0.19 0.00 1.31 0.00 0.00 55.95 56.66 1x4f s SER 5 Cb -0.13 -1.29 0.19 0.00 0.21 0.00 0.00 66.02 64.99 1x4f s SER 5 CO 0.20 -0.19 1.23 -0.94 0.41 0.00 0.00 173.24 173.95 1x4f s SER 6 N 1.32 -0.18 0.00 2.44 1.04 -1.26 -4.61 113.70 112.45 1x4f s SER 6 Ca -0.05 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x4f s SER 6 Cb -0.18 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1x4f s SER 6 CO -0.07 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1x4f n GLY 7 N 2.74 4.49 0.09 7.32 0.00 -1.26 -4.84 105.19 113.73 1x4f n GLY 7 Ca -0.15 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1x4f n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4f n LYS 8 N -1.94 0.52 -3.15 1.61 4.81 -1.26 -4.82 118.16 113.93 1x4f n LYS 8 Ca 0.00 0.39 -0.21 0.00 -0.87 0.00 0.00 58.31 57.62 1x4f n LYS 8 Cb 0.00 -1.58 0.02 0.00 0.02 0.00 0.00 35.03 33.49 1x4f n LYS 8 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1x4f n LYS 9 N -4.47 -2.14 -2.12 1.64 4.81 -1.26 -4.83 118.16 109.79 1x4f n LYS 9 Ca -0.21 1.78 -0.43 0.00 -0.87 0.00 0.00 58.31 58.58 1x4f n LYS 9 Cb 0.52 -3.79 -0.03 0.00 0.02 0.00 0.00 35.03 31.75 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x4f s PRO 10 N -2.39 3.76 0.26 1.64 0.04 -1.26 -4.96 135.00 132.08 1x4f s PRO 10 Ca 0.28 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 1x4f s PRO 10 Cb -0.05 -4.04 0.02 0.00 0.04 0.00 0.00 34.50 30.46 1x4f s PRO 10 CO 0.77 -1.34 0.62 -2.00 0.04 0.00 0.00 177.00 175.10 1x4f s GLU 11 N 4.74 1.66 0.11 4.56 -6.30 -1.26 -5.13 118.70 117.07 1x4f s GLU 11 Ca 0.71 -1.04 -0.32 0.00 -2.50 0.00 0.00 54.97 51.82 1x4f s GLU 11 Cb -0.24 0.56 -0.12 0.00 0.00 0.00 0.00 34.13 34.33 1x4f s GLU 11 CO 0.29 -0.73 1.77 0.41 0.02 0.00 0.00 175.26 177.02 1x4f n GLY 12 N -0.42 1.50 3.85 -1.50 0.00 -1.26 -4.97 105.19 102.39 1x4f n GLY 12 Ca -0.04 0.72 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 1x4f n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4f s LYS 13 N 2.37 3.99 0.22 1.61 -2.85 -1.26 -5.03 119.74 118.79 1x4f s LYS 13 Ca 0.82 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 56.22 1x4f s LYS 13 Cb -0.56 -2.35 -0.09 0.00 -2.06 0.00 0.00 37.83 32.76 1x4f s LYS 13 CO 0.39 0.05 1.30 -1.25 0.10 0.00 0.00 175.35 175.94 1x4f s PRO 14 N -3.28 4.40 -0.35 1.78 0.04 -1.26 -5.01 135.00 131.32 1x4f s PRO 14 Ca 0.55 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1x4f s PRO 14 Cb -0.10 -3.18 0.14 0.00 0.04 0.00 0.00 34.50 31.40 1x4f s PRO 14 CO 0.21 -0.22 0.25 0.34 0.04 0.00 0.00 177.00 177.61 1x4f s ASP 15 N 0.19 2.52 -0.11 6.66 -1.08 -1.26 -4.79 116.67 118.80 1x4f s ASP 15 Ca 0.55 -1.94 -0.04 0.00 -0.52 0.00 0.00 52.55 50.61 1x4f s ASP 15 Cb -0.36 -0.13 0.05 0.00 -1.46 0.00 0.00 42.92 41.01 1x4f s ASP 15 CO 0.40 -0.31 0.07 -1.10 0.52 0.00 0.00 175.17 174.75 1x4f s GLN 16 N 1.27 0.03 -0.02 4.34 -0.21 -1.26 -5.03 119.66 118.77 1x4f s GLN 16 Ca 0.17 0.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.61 1x4f s GLN 16 Cb -0.20 -1.24 -0.02 0.00 1.00 0.00 0.00 33.01 32.55 1x4f s GLN 16 CO -0.04 -0.51 -0.12 1.63 -2.12 0.00 0.00 175.29 174.14 1x4f n LYS 17 N 5.28 0.18 0.00 2.91 5.02 -1.26 -4.76 118.16 125.53 1x4f n LYS 17 Ca -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1x4f n LYS 17 Cb 0.49 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 1x4f n LYS 17 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x4f n PHE 18 N -3.57 0.00 -3.52 2.13 -0.00 -1.26 -4.53 117.46 106.71 1x4f n PHE 18 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.27 1x4f n PHE 18 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.61 1x4f n PHE 18 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1x4f s ASP 19 N 0.00 -0.51 1.06 -2.13 -4.77 -1.26 -5.17 116.67 103.89 1x4f s ASP 19 Ca 0.00 0.42 -0.14 0.00 -3.30 0.00 0.00 52.55 49.53 1x4f s ASP 19 Cb 0.00 0.44 0.22 0.00 -1.09 0.00 0.00 42.92 42.49 1x4f s ASP 19 CO 0.00 -0.57 0.48 1.67 0.70 0.00 0.00 175.17 177.46 1x4f n GLN 20 N 0.52 -2.76 -3.52 2.11 7.27 -1.26 -3.38 117.38 116.36 1x4f n GLN 20 Ca -0.14 -0.82 -0.25 0.00 0.07 0.00 0.00 57.00 55.86 1x4f n GLN 20 Cb 0.59 -1.52 -0.01 0.00 2.41 0.00 0.00 30.24 31.71 1x4f n GLN 20 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1x4f n LYS 21 N -2.39 -3.06 0.03 3.69 5.02 -1.26 -4.70 118.16 115.49 1x4f n LYS 21 Ca 0.08 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1x4f n LYS 21 Cb 0.34 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 1x4f n LYS 21 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1x4f n GLN 22 N -3.74 0.00 -3.97 1.97 7.27 -1.22 -5.12 117.38 112.58 1x4f n GLN 22 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.92 1x4f n GLN 22 Cb 0.52 -0.01 -0.15 0.00 2.41 0.00 0.00 30.24 33.00 1x4f n GLN 22 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1x4f s GLU 23 N -1.19 0.29 0.00 3.69 2.12 -1.26 -5.02 118.70 117.33 1x4f s GLU 23 Ca 0.00 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1x4f s GLU 23 Cb 0.00 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.99 1x4f s GLU 23 CO 0.00 -0.07 0.00 1.28 -0.54 0.00 0.00 175.26 175.93 1x4f n LEU 24 N 3.75 0.59 -0.08 2.70 4.77 -1.26 -4.88 117.00 122.60 1x4f n LEU 24 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1x4f n LEU 24 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1x4f n LEU 24 CO 0.24 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1x4f n GLY 25 N 2.12 0.21 3.18 -0.72 0.00 -1.26 -4.81 105.19 103.91 1x4f n GLY 25 Ca 0.00 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.36 2.30 -0.06 1.61 0.52 -1.26 -4.55 118.95 117.15 1x4f s ARG 26 Ca 0.00 -1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1x4f s ARG 26 Cb 0.00 -3.60 0.03 0.00 0.52 0.00 0.00 34.95 31.90 1x4f s ARG 26 CO 0.00 -0.96 -0.01 0.08 0.02 0.00 0.00 175.30 174.42 1x4f s VAL 27 N 1.26 0.39 -0.50 3.52 1.01 -1.26 -3.84 120.40 120.99 1x4f s VAL 27 Ca 0.04 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1x4f s VAL 27 Cb -0.23 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1x4f s VAL 27 CO -0.01 0.23 0.67 -0.63 0.00 0.00 0.00 175.10 175.35 1x4f s ILE 28 N 1.49 4.80 0.07 2.22 -1.09 0.11 -1.43 121.20 127.37 1x4f s ILE 28 Ca -0.02 -0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 57.82 1x4f s ILE 28 Cb -0.13 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 1x4f s ILE 28 CO -0.03 -0.81 0.93 -2.28 -1.23 0.00 0.00 174.94 171.52 1x4f s HIS 29 N 2.84 3.76 -0.24 3.97 5.65 0.12 -0.40 115.29 130.99 1x4f s HIS 29 Ca 0.18 1.71 0.00 0.00 0.25 0.00 0.00 55.06 57.21 1x4f s HIS 29 Cb -0.17 -3.03 0.06 0.00 -1.18 0.00 0.00 32.58 28.26 1x4f s HIS 29 CO 0.14 0.17 -0.03 -0.51 -0.65 0.00 0.00 174.74 173.85 1x4f s LEU 30 N 0.24 2.50 0.13 8.88 1.43 0.54 -1.19 118.68 131.21 1x4f s LEU 30 Ca 0.46 -1.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1x4f s LEU 30 Cb -0.22 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1x4f s LEU 30 CO 0.28 -0.26 -0.07 -0.44 0.23 0.00 0.00 176.35 176.10 1x4f s SER 31 N 1.43 4.51 -0.43 2.29 0.01 -0.33 -1.91 113.70 119.28 1x4f s SER 31 Ca -0.04 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 1x4f s SER 31 Cb -0.19 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.16 1x4f s SER 31 CO -0.07 0.14 0.37 -3.20 0.41 0.00 0.00 173.24 170.89 1x4f n ASN 32 N 0.37 -2.77 -4.82 2.44 5.15 -1.22 -0.48 115.26 113.94 1x4f n ASN 32 Ca -0.12 -0.19 -0.33 0.00 -0.60 0.00 0.00 54.58 53.34 1x4f n ASN 32 Cb 0.53 -2.04 -0.06 0.00 -0.53 0.00 0.00 39.78 37.68 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 -3.29 3.92 0.00 1.20 1.43 -1.14 -4.18 118.68 116.61 1x4f s LEU 33 Ca 0.10 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1x4f s LEU 33 Cb -0.04 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1x4f s LEU 33 CO 0.25 -0.43 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 1x4f n PRO 34 N -0.71 0.16 -2.69 1.29 -0.04 -1.26 -4.94 135.00 126.81 1x4f n PRO 34 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1x4f n PRO 34 Cb 0.54 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.09 1x4f n PRO 34 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x4f n HIS 35 N -1.34 -1.62 -0.97 0.54 8.25 -1.26 -4.99 115.22 113.83 1x4f n HIS 35 Ca 0.00 -1.42 0.03 0.00 -0.26 0.00 0.00 57.72 56.08 1x4f n HIS 35 Cb 0.00 1.41 0.36 0.00 1.12 0.00 0.00 29.99 32.87 1x4f n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x4f n SER 36 N 0.31 5.19 -0.98 0.41 2.88 -1.26 -4.90 113.62 115.27 1x4f n SER 36 Ca -0.02 -3.05 -0.03 0.00 -1.33 0.00 0.00 58.87 54.44 1x4f n SER 36 Cb 0.73 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.21 0.69 3.97 0.46 0.00 -1.26 -5.06 105.19 104.20 1x4f n GLY 37 Ca 0.31 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.04 2.02 0.20 1.61 1.13 -1.26 -5.11 117.35 112.89 1x4f s TYR 38 Ca 0.07 -0.02 0.08 0.00 -1.41 0.00 0.00 57.07 55.78 1x4f s TYR 38 Cb -0.03 -3.16 -0.04 0.00 -1.10 0.00 0.00 41.96 37.63 1x4f s TYR 38 CO 0.10 -1.67 -0.01 -1.12 -2.51 0.00 0.00 175.55 170.34 1x4f s SER 39 N -4.67 4.67 0.24 -0.18 0.01 -1.26 -5.01 113.70 107.50 1x4f s SER 39 Ca 0.65 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 57.29 1x4f s SER 39 Cb -0.07 -0.95 0.31 0.00 0.21 0.00 0.00 66.02 65.53 1x4f s SER 39 CO 0.45 0.06 1.56 -2.24 0.41 0.00 0.00 173.24 173.48 1x4f h ASP 40 N 2.49 -1.23 -0.98 2.44 2.03 -2.00 0.77 116.42 119.94 1x4f h ASP 40 Ca -0.46 0.30 0.30 0.00 -0.73 0.00 0.00 57.03 56.44 1x4f h ASP 40 Cb 1.22 0.69 -0.15 0.00 -0.83 0.00 0.00 39.33 40.26 1x4f h ASP 40 CO 0.58 -0.30 0.50 0.77 -1.03 0.00 0.00 179.24 179.76 1x4f h SER 41 N -0.01 0.41 -0.65 4.15 4.64 -1.97 0.88 113.55 121.00 1x4f h SER 41 Ca 0.39 0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.93 1x4f h SER 41 Cb 0.64 0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1x4f h SER 41 CO -0.98 -0.13 0.43 0.00 -0.87 0.00 0.00 176.83 175.28 1x4f h ALA 42 N 1.83 1.64 0.00 5.18 0.00 0.18 0.27 119.26 128.35 1x4f h ALA 42 Ca 0.69 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.49 1x4f h ALA 42 Cb 1.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1x4f h ALA 42 CO -0.61 0.30 -0.40 0.28 0.00 0.00 0.00 179.25 178.81 1x4f h VAL 43 N 0.78 0.75 0.00 0.00 2.07 0.84 -3.11 116.25 117.58 1x4f h VAL 43 Ca 0.26 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1x4f h VAL 43 Cb 0.06 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1x4f h VAL 43 CO -0.07 0.40 -0.65 0.18 0.02 0.00 0.00 177.57 177.44 1x4f n LEU 44 N -3.28 0.59 0.28 2.57 4.77 -0.41 -3.97 117.00 117.54 1x4f n LEU 44 Ca 0.01 0.01 0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1x4f n LEU 44 Cb 0.64 -0.19 0.94 0.00 -2.33 0.00 0.00 43.42 42.47 1x4f n LEU 44 CO 0.38 0.08 1.14 0.11 -1.33 0.00 0.00 177.39 177.78 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 1.57 -0.46 0.63 116.57 121.54 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 0.00 -0.07 1.47 -0.57 0.00 0.00 179.45 180.28 1x4f n LEU 46 N -3.66 0.63 0.00 2.94 -0.00 -1.25 -3.64 117.00 112.01 1x4f n LEU 46 Ca -0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1x4f n LEU 46 Cb 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1x4f n LEU 46 CO 0.25 0.11 0.02 0.00 -0.00 0.00 0.00 177.39 177.77 1x4f n ALA 47 N -0.69 1.27 0.44 1.47 0.00 0.11 -4.75 120.51 118.36 1x4f n ALA 47 Ca 0.17 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 1x4f n ALA 47 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.09 0.00 0.00 4.39 -0.03 -1.92 114.58 115.93 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 0.02 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1x4f h GLU 48 CO 0.00 -0.73 0.00 -0.35 -1.16 0.00 0.00 179.01 176.77 1x4f n PRO 49 N -5.25 0.49 -0.11 2.33 -0.04 -1.26 -2.51 135.00 128.65 1x4f n PRO 49 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 1x4f n PRO 49 Cb 0.45 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.10 -3.57 0.54 4.02 -1.01 -5.08 117.16 111.30 1x4f n TYR 50 Ca 0.08 0.03 0.04 0.00 -0.01 0.00 0.00 57.90 58.04 1x4f n TYR 50 Cb 0.04 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.34 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 -6.09 -0.49 -0.12 2.72 0.00 -0.75 -4.52 107.32 98.06 1x4f s GLY 51 Ca -0.25 0.94 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 1x4f s GLY 51 CO 0.69 0.50 1.62 0.54 0.00 0.00 0.00 173.10 176.46 1x4f s LYS 52 N -2.01 4.04 -0.77 2.90 1.02 -1.26 -4.44 119.74 119.22 1x4f s LYS 52 Ca 0.16 1.97 -0.25 0.00 0.02 0.00 0.00 55.97 57.87 1x4f s LYS 52 Cb 0.08 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1x4f s LYS 52 CO -0.07 -1.01 1.84 0.42 -0.92 0.00 0.00 175.35 175.61 1x4f s ILE 53 N 4.47 3.45 0.10 2.17 1.01 -1.26 -1.02 121.20 130.11 1x4f s ILE 53 Ca 0.72 -0.09 0.20 0.00 0.00 0.00 0.00 60.65 61.49 1x4f s ILE 53 Cb -0.30 -4.09 0.17 0.00 0.01 0.00 0.00 42.46 38.25 1x4f s ILE 53 CO 0.28 -1.04 1.73 0.11 0.00 0.00 0.00 174.94 176.02 1x4f h LYS 54 N 12.82 0.00 -1.49 2.79 6.56 -1.69 -3.47 116.57 132.09 1x4f h LYS 54 Ca -0.08 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.67 1x4f h LYS 54 Cb 1.08 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.52 1x4f h LYS 54 CO 1.23 0.33 0.70 1.21 -2.06 0.00 0.00 179.45 180.86 1x4f s ASN 55 N -6.34 -0.23 0.09 0.86 2.47 -1.18 -5.03 114.94 105.58 1x4f s ASN 55 Ca 0.01 0.18 -0.10 0.00 0.42 0.00 0.00 52.86 53.36 1x4f s ASN 55 Cb 0.10 0.21 0.01 0.00 -1.45 0.00 0.00 41.25 40.11 1x4f s ASN 55 CO 0.67 -0.27 0.23 -0.72 -3.72 0.00 0.00 177.10 173.30 1x4f s TYR 56 N -1.60 0.07 -0.09 0.43 1.13 -1.26 0.01 117.35 116.04 1x4f s TYR 56 Ca 0.04 -0.45 -0.03 0.00 -1.41 0.00 0.00 57.07 55.22 1x4f s TYR 56 Cb -0.01 0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1x4f s TYR 56 CO -0.03 -0.56 0.09 0.42 -2.51 0.00 0.00 175.55 172.95 1x4f s ILE 57 N -3.69 -0.13 -0.57 -3.49 -1.09 0.14 -4.95 121.20 107.42 1x4f s ILE 57 Ca 0.03 0.23 -0.12 0.00 -2.23 0.00 0.00 60.65 58.57 1x4f s ILE 57 Cb 0.04 -0.31 0.14 0.00 -1.58 0.00 0.00 42.46 40.75 1x4f s ILE 57 CO -0.10 0.03 0.47 -0.76 -1.23 0.00 0.00 174.94 173.35 1x4f s LEU 58 N 2.19 6.00 -0.33 2.97 2.01 -1.26 -0.68 118.68 129.59 1x4f s LEU 58 Ca 0.04 -2.08 -0.13 0.00 0.01 0.00 0.00 54.13 51.97 1x4f s LEU 58 Cb -0.13 -2.10 -0.02 0.00 0.01 0.00 0.00 46.19 43.95 1x4f s LEU 58 CO -0.05 -0.70 0.26 -0.04 1.01 0.00 0.00 176.35 176.82 1x4f s MET 59 N 1.13 3.61 0.07 1.70 -1.94 0.12 -4.89 119.30 119.10 1x4f s MET 59 Ca 0.08 -0.52 0.24 0.00 -1.71 0.00 0.00 55.69 53.78 1x4f s MET 59 Cb -0.24 -3.78 0.34 0.00 2.01 0.00 0.00 34.83 33.16 1x4f s MET 59 CO -0.01 -0.41 1.29 2.89 -0.01 0.00 0.00 175.02 178.77 1x4f n ARG 60 N 5.16 0.19 -0.04 2.03 1.85 -1.26 -0.46 116.66 124.13 1x4f n ARG 60 Ca -0.12 0.04 -0.07 0.00 -1.00 0.00 0.00 57.85 56.69 1x4f n ARG 60 Cb 0.50 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.25 1x4f n ARG 60 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 1x4f h MET 61 N 0.00 -0.24 -0.24 2.89 4.05 -1.91 -3.03 114.93 116.44 1x4f h MET 61 Ca 0.00 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 1x4f h MET 61 Cb 0.66 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.46 1x4f h MET 61 CO 0.00 -0.16 -0.12 1.63 0.23 0.00 0.00 176.91 178.49 1x4f n LYS 62 N -4.07 1.94 -3.51 0.39 4.01 -1.26 -4.97 118.16 110.69 1x4f n LYS 62 Ca -0.02 -3.07 -0.22 0.00 -0.51 0.00 0.00 58.31 54.48 1x4f n LYS 62 Cb 0.18 -1.76 0.05 0.00 -0.51 0.00 0.00 35.03 33.00 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x4f n SER 63 N -1.05 -4.33 -4.21 4.39 7.64 -1.15 -4.75 113.62 110.17 1x4f n SER 63 Ca 0.27 -0.82 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 1x4f n SER 63 Cb 0.91 -4.37 -0.10 0.00 -1.01 0.00 0.00 64.21 59.64 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 -5.37 0.95 -0.02 1.43 -0.21 0.39 -2.89 119.66 113.94 1x4f s GLN 64 Ca 0.30 -1.40 -0.28 0.00 0.02 0.00 0.00 55.36 54.00 1x4f s GLN 64 Cb -0.07 -0.35 0.06 0.00 1.00 0.00 0.00 33.01 33.65 1x4f s GLN 64 CO 0.79 -0.00 0.61 0.00 -2.12 0.00 0.00 175.29 174.57 1x4f s ALA 65 N -3.53 -1.60 -0.14 6.09 0.00 -0.80 0.16 121.76 121.93 1x4f s ALA 65 Ca 0.15 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1x4f s ALA 65 Cb 0.05 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1x4f s ALA 65 CO -0.02 -0.40 -0.13 -0.06 0.00 0.00 0.00 175.76 175.14 1x4f s PHE 66 N -1.55 2.07 -0.32 0.00 0.08 0.15 -0.34 117.98 118.07 1x4f s PHE 66 Ca -0.10 -1.15 -0.06 0.00 0.12 0.00 0.00 56.93 55.74 1x4f s PHE 66 Cb -0.01 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1x4f s PHE 66 CO 0.06 -0.65 0.08 0.42 -0.10 0.00 0.00 175.22 175.04 1x4f s ILE 67 N 1.51 3.73 -0.54 0.64 1.01 0.46 0.24 121.20 128.26 1x4f s ILE 67 Ca 0.05 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 1x4f s ILE 67 Cb -0.13 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.33 1x4f s ILE 67 CO -0.10 -0.09 0.94 -0.70 0.00 0.00 0.00 174.94 174.99 1x4f s GLU 68 N 1.41 3.35 0.97 2.79 2.12 0.10 0.05 118.70 129.50 1x4f s GLU 68 Ca -0.01 -0.22 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 1x4f s GLU 68 Cb -0.19 -4.04 0.17 0.00 0.26 0.00 0.00 34.13 30.34 1x4f s GLU 68 CO 0.02 -1.46 1.09 -1.64 -0.54 0.00 0.00 175.26 172.73 1x4f s MET 69 N 3.93 0.62 0.08 4.30 -1.94 -1.25 -2.23 119.30 122.81 1x4f s MET 69 Ca 0.31 0.66 -0.15 0.00 -1.71 0.00 0.00 55.69 54.80 1x4f s MET 69 Cb -0.12 -1.75 -0.14 0.00 2.01 0.00 0.00 34.83 34.83 1x4f s MET 69 CO 0.20 -2.64 1.32 1.49 -0.01 0.00 0.00 175.02 175.38 1x4f h GLU 70 N -1.83 0.67 -5.09 2.03 4.81 -1.37 -3.41 114.58 110.39 1x4f h GLU 70 Ca -0.53 -0.47 -0.41 0.00 -0.13 0.00 0.00 59.36 57.82 1x4f h GLU 70 Cb 1.31 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.63 1x4f h GLU 70 CO 0.56 1.09 -0.63 0.95 -0.73 0.00 0.00 179.01 180.25 1x4f s THR 71 N -3.94 0.97 0.12 0.32 -4.23 -1.26 -5.02 115.64 102.60 1x4f s THR 71 Ca -0.12 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1x4f s THR 71 Cb 0.08 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.40 1x4f s THR 71 CO 0.85 -0.11 1.66 -0.09 -0.54 0.00 0.00 174.62 176.39 1x4f h ARG 72 N 2.30 0.00 -0.54 3.99 2.43 -1.98 -2.97 114.38 117.61 1x4f h ARG 72 Ca -0.39 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 1x4f h ARG 72 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1x4f h ARG 72 CO 0.65 0.44 0.21 0.93 -1.51 0.00 0.00 179.97 180.70 1x4f h GLU 73 N 0.00 0.80 0.50 0.20 4.39 -1.98 -0.80 114.58 117.69 1x4f h GLU 73 Ca -0.00 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1x4f h GLU 73 Cb 1.03 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1x4f h GLU 73 CO 0.06 0.70 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.93 1x4f h ASP 74 N 0.73 -0.56 -0.51 1.42 3.32 -1.78 -2.18 116.42 116.86 1x4f h ASP 74 Ca 0.18 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.33 1x4f h ASP 74 Cb 0.20 0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.79 1x4f h ASP 74 CO -0.01 -0.15 -0.23 0.00 -1.72 0.00 0.00 179.24 177.13 1x4f h ALA 75 N -1.13 0.13 -0.77 3.45 0.00 -1.57 0.16 119.26 119.53 1x4f h ALA 75 Ca -0.07 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1x4f h ALA 75 Cb 0.53 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1x4f h ALA 75 CO 0.11 -0.56 0.51 0.52 0.00 0.00 0.00 179.25 179.82 1x4f h MET 76 N -0.11 0.86 -0.82 0.00 2.86 -1.23 -1.61 114.93 114.88 1x4f h MET 76 Ca 0.23 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1x4f h MET 76 Cb 0.48 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1x4f h MET 76 CO -0.58 0.57 0.44 0.00 1.06 0.00 0.00 176.91 178.40 1x4f h ALA 77 N 1.56 1.22 0.45 6.32 0.00 -0.04 -2.05 119.26 126.72 1x4f h ALA 77 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x4f h ALA 77 Cb 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1x4f h ALA 77 CO -0.10 0.62 -0.22 1.98 0.00 0.00 0.00 179.25 181.53 1x4f h MET 78 N 1.15 -0.58 -0.93 0.00 4.05 -0.31 0.12 114.93 118.43 1x4f h MET 78 Ca 0.29 0.04 0.27 0.00 -0.28 0.00 0.00 59.70 60.02 1x4f h MET 78 Cb 0.05 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 1x4f h MET 78 CO -0.04 -0.39 0.79 -0.39 0.23 0.00 0.00 176.91 177.11 1x4f h VAL 79 N -0.75 0.33 0.07 -5.77 -1.51 -1.47 0.10 116.25 107.25 1x4f h VAL 79 Ca -0.06 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.30 1x4f h VAL 79 Cb 0.46 0.42 0.01 0.00 -2.13 0.00 0.00 31.29 30.05 1x4f h VAL 79 CO 0.10 0.00 -0.47 -0.78 -1.23 0.00 0.00 177.57 175.19 1x4f h ASP 80 N 0.00 0.24 0.00 4.19 1.82 -1.22 -3.21 116.42 118.25 1x4f h ASP 80 Ca 0.44 -0.96 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1x4f h ASP 80 Cb 2.02 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1x4f h ASP 80 CO -0.00 1.22 0.14 -0.74 -1.61 0.00 0.00 179.24 178.25 1x4f h HIS 81 N -0.67 0.00 0.00 0.28 2.76 0.18 0.37 115.15 118.07 1x4f h HIS 81 Ca -0.09 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.94 1x4f h HIS 81 Cb 1.35 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.28 1x4f h HIS 81 CO 0.23 0.00 -1.48 0.00 -1.30 0.00 0.00 177.93 175.38 1x4f h LEU 83 N 0.00 -0.24 -0.32 0.00 3.38 -0.27 -3.31 115.31 114.54 1x4f h LEU 83 Ca -0.16 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 1x4f h LEU 83 Cb 1.50 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1x4f h LEU 83 CO 0.03 0.21 -0.22 0.11 0.09 0.00 0.00 178.44 178.66 1x4f h LYS 84 N -0.76 0.72 -6.23 1.13 6.56 -1.72 -3.45 116.57 112.83 1x4f h LYS 84 Ca -0.03 -0.34 -0.57 0.00 -1.06 0.00 0.00 60.65 58.65 1x4f h LYS 84 Cb 0.51 -0.01 -0.21 0.00 -0.57 0.00 0.00 32.23 31.95 1x4f h LYS 84 CO 0.05 0.96 -0.83 0.21 -2.06 0.00 0.00 179.45 177.78 1x4f s LYS 85 N -4.50 1.17 -0.31 3.15 2.20 -1.18 -5.11 119.74 115.17 1x4f s LYS 85 Ca -0.12 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 53.98 1x4f s LYS 85 Cb 0.09 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.98 1x4f s LYS 85 CO 0.82 0.33 1.12 0.00 -0.36 0.00 0.00 175.35 177.27 1x4f s ALA 86 N -1.24 3.48 -0.12 3.13 0.00 -1.26 -3.68 121.76 122.07 1x4f s ALA 86 Ca 0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 1x4f s ALA 86 Cb -0.10 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 1x4f s ALA 86 CO 0.05 -1.52 1.08 -1.17 0.00 0.00 0.00 175.76 174.19 1x4f s LEU 87 N 3.77 4.22 -0.21 0.00 0.20 -1.26 -5.02 118.68 120.38 1x4f s LEU 87 Ca 0.48 1.59 -0.01 0.00 0.69 0.00 0.00 54.13 56.88 1x4f s LEU 87 Cb -0.13 -3.55 0.02 0.00 -0.43 0.00 0.00 46.19 42.09 1x4f s LEU 87 CO 0.17 -0.54 -0.13 0.26 -0.29 0.00 0.00 176.35 175.81 1x4f s TRP 88 N 2.38 2.91 -0.12 5.38 0.52 -1.26 -2.96 118.94 125.79 1x4f s TRP 88 Ca 0.50 -1.51 -0.06 0.00 0.02 0.00 0.00 56.10 55.05 1x4f s TRP 88 Cb -0.20 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1x4f s TRP 88 CO 0.17 -0.74 0.01 0.35 0.02 0.00 0.00 176.95 176.76 1x4f h PHE 89 N 7.98 0.00 -1.33 -1.98 3.57 -1.88 -3.44 116.94 119.86 1x4f h PHE 89 Ca -0.40 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 60.70 1x4f h PHE 89 Cb 1.13 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 39.53 1x4f h PHE 89 CO 0.53 0.14 -1.02 1.04 -2.23 0.00 0.00 178.31 176.77 1x4f n GLN 90 N -4.70 1.03 -0.51 1.11 6.02 -1.26 -4.90 117.38 114.17 1x4f n GLN 90 Ca -0.05 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 53.92 1x4f n GLN 90 Cb 0.16 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.16 0.77 3.18 1.08 0.00 -1.26 -4.96 105.19 104.17 1x4f n GLY 91 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.48 2.22 -1.49 1.61 0.52 -1.26 -5.03 118.95 115.04 1x4f s ARG 92 Ca 0.00 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1x4f s ARG 92 Cb 0.00 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.52 1x4f s ARG 92 CO 0.00 0.27 2.85 0.00 0.02 0.00 0.00 175.30 178.44 1x4f n VAL 94 N 3.65 1.77 -3.00 0.00 3.14 -1.15 -4.86 118.33 117.88 1x4f n VAL 94 Ca 0.73 -0.44 -0.42 0.00 -2.96 0.00 0.00 64.34 61.24 1x4f n VAL 94 Cb 0.23 -0.57 -0.06 0.00 -1.06 0.00 0.00 33.84 32.38 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 -1.13 3.60 -0.27 1.45 2.47 0.37 -4.63 119.74 121.60 1x4f s LYS 95 Ca 0.64 0.09 -0.07 0.00 -1.56 0.00 0.00 55.97 55.06 1x4f s LYS 95 Cb -0.83 -3.86 -0.01 0.00 -1.46 0.00 0.00 37.83 31.67 1x4f s LYS 95 CO 0.57 -0.92 0.08 0.54 0.16 0.00 0.00 175.35 175.78 1x4f s VAL 96 N 3.07 4.17 0.02 4.02 0.11 -1.26 -1.19 120.40 129.34 1x4f s VAL 96 Ca 0.29 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1x4f s VAL 96 Cb -0.13 -3.05 -0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1x4f s VAL 96 CO 0.19 0.21 0.11 -1.81 -3.33 0.00 0.00 175.10 170.46 1x4f s ASP 97 N 1.56 0.09 -0.10 3.54 1.11 -0.33 -4.50 116.67 118.04 1x4f s ASP 97 Ca 0.05 -0.33 -0.30 0.00 0.18 0.00 0.00 52.55 52.15 1x4f s ASP 97 Cb -0.16 0.20 -0.03 0.00 1.07 0.00 0.00 42.92 44.01 1x4f s ASP 97 CO 0.03 -0.41 1.26 -0.22 1.18 0.00 0.00 175.17 177.01 1x4f s LEU 98 N -1.62 4.24 0.04 1.23 2.96 -1.26 0.15 118.68 124.41 1x4f s LEU 98 Ca -0.12 1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 55.30 1x4f s LEU 98 Cb -0.06 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.91 1x4f s LEU 98 CO -0.01 -0.68 1.42 0.28 -1.32 0.00 0.00 176.35 176.04 1x4f h SER 99 N 7.88 -0.58 0.00 3.68 0.02 -1.61 -3.46 113.55 119.49 1x4f h SER 99 Ca -0.31 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1x4f h SER 99 Cb 1.14 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1x4f h SER 99 CO 0.92 -0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 175.70 1x4f n GLU 100 N -5.32 0.00 -0.19 3.45 1.02 -1.26 -4.55 120.64 113.79 1x4f n GLU 100 Ca -0.11 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.29 1x4f n GLU 100 Cb 0.31 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 32.40 1x4f n GLU 100 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1x4f h LYS 101 N 0.00 0.10 -5.82 3.49 2.10 -1.92 -3.39 116.57 111.13 1x4f h LYS 101 Ca 0.00 -0.01 -0.63 0.00 -2.00 0.00 0.00 60.65 58.01 1x4f h LYS 101 Cb 0.00 -0.02 -0.06 0.00 -0.90 0.00 0.00 32.23 31.24 1x4f h LYS 101 CO 0.00 0.06 -0.33 0.71 -2.00 0.00 0.00 179.45 177.90 1x4f s TYR 102 N -5.09 3.65 -0.12 0.07 2.02 -1.26 -4.99 117.35 111.63 1x4f s TYR 102 Ca -0.06 0.77 0.17 0.00 -0.37 0.00 0.00 57.07 57.58 1x4f s TYR 102 Cb 0.22 -2.15 -0.19 0.00 -0.40 0.00 0.00 41.96 39.44 1x4f s TYR 102 CO 0.77 0.65 0.61 1.17 -1.57 0.00 0.00 175.55 177.18 1x4f n LYS 103 N 2.02 0.64 -3.60 -0.62 3.00 -1.26 -4.40 118.16 113.94 1x4f n LYS 103 Ca -0.16 0.13 -0.03 0.00 -0.00 0.00 0.00 58.31 58.25 1x4f n LYS 103 Cb 0.53 -1.71 -0.02 0.00 0.00 0.00 0.00 35.03 33.84 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 -2.87 0.39 -1.10 1.64 -2.85 -1.26 -4.07 119.74 109.61 1x4f s LYS 104 Ca -0.05 -0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 54.61 1x4f s LYS 104 Cb 0.09 0.16 0.18 0.00 -2.06 0.00 0.00 37.83 36.20 1x4f s LYS 104 CO 0.83 -0.17 1.27 -0.51 0.10 0.00 0.00 175.35 176.87 1x4f s LEU 105 N -2.42 5.34 0.29 2.77 1.43 -1.26 -4.78 118.68 120.05 1x4f s LEU 105 Ca 0.10 -2.83 0.25 0.00 -1.03 0.00 0.00 54.13 50.62 1x4f s LEU 105 Cb 0.00 -2.36 0.68 0.00 0.03 0.00 0.00 46.19 44.54 1x4f s LEU 105 CO -0.04 -0.75 1.73 1.62 0.23 0.00 0.00 176.35 179.13 1x4f h VAL 106 N 4.81 0.00 -3.22 -1.59 3.04 -2.00 -3.45 116.25 113.84 1x4f h VAL 106 Ca 0.25 -0.63 -0.55 0.00 -1.01 0.00 0.00 66.70 64.75 1x4f h VAL 106 Cb 0.92 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1x4f h VAL 106 CO 1.15 0.00 0.57 -0.55 -1.01 0.00 0.00 177.57 177.73 1x4f s SER 107 N -5.07 7.18 0.00 3.17 0.15 -1.26 -4.19 113.70 113.68 1x4f s SER 107 Ca 0.09 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1x4f s SER 107 Cb 0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1x4f s SER 107 CO 0.61 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1x4f n GLY 108 N 3.16 2.53 0.00 9.45 0.00 -1.26 -4.82 105.19 114.25 1x4f n GLY 108 Ca 0.09 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1x4f n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4f n PRO 109 N 0.00 0.34 -1.60 1.61 -0.04 -1.26 -4.68 135.00 129.37 1x4f n PRO 109 Ca 0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1x4f n PRO 109 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1x4f n PRO 109 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4f n SER 110 N -1.15 -8.60 -4.51 3.54 7.64 -1.26 -4.88 113.62 104.39 1x4f n SER 110 Ca 0.09 1.67 -0.36 0.00 1.01 0.00 0.00 58.87 61.28 1x4f n SER 110 Cb 0.09 -5.05 -0.12 0.00 -1.01 0.00 0.00 64.21 58.12 1x4f n SER 110 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4f s SER 111 N -4.71 5.38 0.00 6.43 0.15 -1.26 -5.12 113.70 114.56 1x4f s SER 111 Ca 0.00 -0.11 0.29 0.00 0.70 0.00 0.00 55.95 56.84 1x4f s SER 111 Cb 0.00 -1.96 1.36 0.00 -1.71 0.00 0.00 66.02 63.71 1x4f s SER 111 CO 0.00 0.02 1.92 0.61 1.20 0.00 0.00 173.24 176.99