#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 0.10 0.32 1.61 0.15 -1.26 -5.16 113.70 109.46 1x4f s SER 2 Ca 0.00 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 1x4f s SER 2 Cb 0.00 0.14 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 1x4f s SER 2 CO 0.00 -0.27 0.82 -1.54 1.20 0.00 0.00 173.24 173.46 1x4f n SER 3 N 1.85 -2.05 0.00 5.45 3.41 -1.26 -5.19 113.62 115.83 1x4f n SER 3 Ca -0.21 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1x4f n SER 3 Cb 0.56 3.40 0.00 0.00 -0.26 0.00 0.00 64.21 67.91 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 -0.56 5.23 2.79 5.00 0.00 -1.26 -5.13 105.19 111.26 1x4f n GLY 4 Ca -0.07 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 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 1.00 -1.06 -0.28 1.61 0.15 -1.26 -5.12 113.70 108.74 1x4f s SER 5 Ca 0.00 -1.72 -0.11 0.00 0.70 0.00 0.00 55.95 54.82 1x4f s SER 5 Cb 0.00 1.62 0.11 0.00 -1.71 0.00 0.00 66.02 66.04 1x4f s SER 5 CO 0.00 -0.09 0.63 -0.55 1.20 0.00 0.00 173.24 174.43 1x4f s SER 6 N 0.96 -0.99 0.00 5.45 0.15 -1.26 -5.11 113.70 112.91 1x4f s SER 6 Ca 0.28 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1x4f s SER 6 Cb -0.01 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1x4f s SER 6 CO -0.07 -0.22 0.33 0.61 1.20 0.00 0.00 173.24 175.09 1x4f n GLY 7 N 5.14 -2.72 0.00 9.45 0.00 -1.26 -4.68 105.19 111.12 1x4f n GLY 7 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x4f n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4f n LYS 8 N -0.41 4.51 -3.41 1.61 2.85 -1.26 -5.08 118.16 116.96 1x4f n LYS 8 Ca 0.00 -0.01 -0.33 0.00 -1.05 0.00 0.00 58.31 56.92 1x4f n LYS 8 Cb 0.00 -0.36 0.03 0.00 -0.65 0.00 0.00 35.03 34.06 1x4f n LYS 8 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1x4f n LYS 9 N -0.65 -1.86 -0.10 -1.58 4.81 -1.26 -4.88 118.16 112.64 1x4f n LYS 9 Ca 0.00 1.46 -0.12 0.00 -0.87 0.00 0.00 58.31 58.78 1x4f n LYS 9 Cb 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1x4f h PRO 10 N 2.22 0.87 0.00 1.64 0.13 -2.01 -3.46 132.00 131.39 1x4f h PRO 10 Ca -0.46 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1x4f h PRO 10 Cb 1.32 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x4f h PRO 10 CO 0.21 1.10 0.00 -1.91 -0.23 0.00 0.00 178.00 177.17 1x4f n GLU 11 N -4.05 0.00 -2.99 0.86 0.00 -1.26 -5.16 120.64 108.04 1x4f n GLU 11 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.77 1x4f n GLU 11 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.92 1x4f n GLU 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1x4f s GLY 12 N 0.00 2.72 -0.33 8.31 0.00 -1.26 -5.01 107.32 111.75 1x4f s GLY 12 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 44.72 44.94 1x4f s GLY 12 CO 0.00 0.70 1.15 1.17 0.00 0.00 0.00 173.10 176.12 1x4f n LYS 13 N 0.81 0.07 0.00 2.90 4.81 -1.26 -5.18 118.16 120.32 1x4f n LYS 13 Ca -0.02 -0.68 0.00 0.00 -0.87 0.00 0.00 58.31 56.75 1x4f n LYS 13 Cb 0.50 0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.76 1x4f n LYS 13 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1x4f n PRO 14 N 2.41 -0.84 -2.90 1.64 -0.04 -1.26 -5.01 135.00 129.01 1x4f n PRO 14 Ca 0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1x4f n PRO 14 Cb 0.66 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.09 1x4f n PRO 14 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x4f n ASP 15 N -2.73 3.91 0.12 3.54 9.92 -1.26 -4.79 116.55 125.26 1x4f n ASP 15 Ca 0.00 -3.57 0.00 0.00 -0.53 0.00 0.00 54.79 50.69 1x4f n ASP 15 Cb 0.00 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 1x4f n ASP 15 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1x4f n GLN 16 N -0.20 0.00 -1.62 -1.24 0.00 -1.26 -5.14 117.38 107.92 1x4f n GLN 16 Ca 0.31 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.91 1x4f n GLN 16 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.75 1x4f n GLN 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1x4f n LYS 17 N -3.14 1.21 -0.01 3.69 5.02 -1.26 -4.71 118.16 118.96 1x4f n LYS 17 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1x4f n LYS 17 Cb 0.00 -2.14 -0.00 0.00 -0.02 0.00 0.00 35.03 32.87 1x4f n LYS 17 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1x4f n PHE 18 N -1.05 -1.27 -2.08 2.13 1.16 -1.26 -4.92 117.46 110.17 1x4f n PHE 18 Ca 0.11 0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.70 1x4f n PHE 18 Cb 0.43 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 1x4f n PHE 18 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1x4f n ASP 19 N -3.76 -1.58 -3.23 5.98 -0.08 -1.26 -5.06 116.55 107.56 1x4f n ASP 19 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1x4f n ASP 19 Cb 0.00 -0.43 -0.01 0.00 2.34 0.00 0.00 41.12 43.02 1x4f n ASP 19 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1x4f s GLN 20 N -4.19 2.01 -0.20 -0.67 0.74 -1.26 -5.13 119.66 110.96 1x4f s GLN 20 Ca 0.00 -1.50 -0.01 0.00 0.05 0.00 0.00 55.36 53.90 1x4f s GLN 20 Cb 0.00 0.54 0.01 0.00 1.10 0.00 0.00 33.01 34.67 1x4f s GLN 20 CO 0.00 -0.89 -0.13 0.15 -0.55 0.00 0.00 175.29 173.87 1x4f s LYS 21 N -2.88 3.06 0.16 1.67 1.02 -1.26 -4.85 119.74 116.66 1x4f s LYS 21 Ca 0.21 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1x4f s LYS 21 Cb -0.03 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1x4f s LYS 21 CO 0.14 -0.25 0.00 0.94 -0.92 0.00 0.00 175.35 175.27 1x4f n GLN 22 N 4.68 0.00 -3.01 1.68 7.27 -1.26 -5.01 117.38 121.73 1x4f n GLN 22 Ca -0.19 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.61 1x4f n GLN 22 Cb 0.50 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.10 1x4f n GLN 22 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1x4f n GLU 23 N -2.83 3.03 0.41 3.69 0.28 -1.26 -4.90 120.64 119.07 1x4f n GLU 23 Ca 0.00 -4.76 -0.17 0.00 -0.16 0.00 0.00 57.16 52.07 1x4f n GLU 23 Cb 0.00 -2.21 -0.09 0.00 1.43 0.00 0.00 31.44 30.58 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1x4f h LEU 24 N 3.12 -0.90 -1.77 -1.84 -0.00 -1.95 -3.50 115.31 108.48 1x4f h LEU 24 Ca 0.14 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1x4f h LEU 24 Cb 0.55 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1x4f h LEU 24 CO 0.80 -0.57 -0.34 0.61 -0.00 0.00 0.00 178.44 178.94 1x4f n GLY 25 N -1.15 -3.95 3.24 0.83 0.00 -1.26 -4.90 105.19 98.00 1x4f n GLY 25 Ca -0.14 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1x4f n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4f s ARG 26 N -1.64 2.51 -0.08 1.61 3.03 -1.25 -4.77 118.95 118.35 1x4f s ARG 26 Ca 0.00 -1.46 -0.01 0.00 2.03 0.00 0.00 55.73 56.29 1x4f s ARG 26 Cb 0.00 -3.66 0.03 0.00 -1.03 0.00 0.00 34.95 30.28 1x4f s ARG 26 CO 0.00 -0.91 -0.02 0.08 -1.13 0.00 0.00 175.30 173.33 1x4f s VAL 27 N 1.37 0.52 -0.48 4.99 1.01 -1.26 -3.74 120.40 122.80 1x4f s VAL 27 Ca 0.03 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1x4f s VAL 27 Cb -0.22 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1x4f s VAL 27 CO 0.01 0.28 0.85 -0.63 0.00 0.00 0.00 175.10 175.61 1x4f s ILE 28 N 1.86 4.55 -0.33 2.22 -1.09 0.32 -0.59 121.20 128.13 1x4f s ILE 28 Ca 0.04 0.41 -0.23 0.00 -2.23 0.00 0.00 60.65 58.65 1x4f s ILE 28 Cb -0.12 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 1x4f s ILE 28 CO -0.06 -0.86 0.75 -2.28 -1.23 0.00 0.00 174.94 171.27 1x4f s HIS 29 N 3.55 3.17 -0.19 3.97 5.65 0.10 -0.95 115.29 130.59 1x4f s HIS 29 Ca 0.31 0.66 -0.06 0.00 0.25 0.00 0.00 55.06 56.22 1x4f s HIS 29 Cb -0.12 -3.24 -0.03 0.00 -1.18 0.00 0.00 32.58 28.01 1x4f s HIS 29 CO 0.22 -0.61 0.02 -0.51 -0.65 0.00 0.00 174.74 173.20 1x4f s LEU 30 N 2.94 3.41 0.32 8.88 1.43 0.24 -1.29 118.68 134.61 1x4f s LEU 30 Ca 0.30 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1x4f s LEU 30 Cb -0.14 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1x4f s LEU 30 CO 0.14 0.10 0.00 -0.44 0.23 0.00 0.00 176.35 176.38 1x4f s SER 31 N 0.79 2.77 -1.36 2.29 0.01 0.16 -2.23 113.70 116.14 1x4f s SER 31 Ca 0.01 -1.30 -0.02 0.00 1.31 0.00 0.00 55.95 55.95 1x4f s SER 31 Cb -0.14 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1x4f s SER 31 CO 0.02 -0.48 0.67 -3.20 0.41 0.00 0.00 173.24 170.66 1x4f n ASN 32 N -0.69 -1.38 -4.84 2.44 5.15 -1.24 -1.03 115.26 113.67 1x4f n ASN 32 Ca -0.04 -0.86 -0.32 0.00 -0.60 0.00 0.00 54.58 52.76 1x4f n ASN 32 Cb 0.65 -3.80 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 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 -6.81 3.70 0.00 1.20 1.43 -1.22 -3.96 118.68 113.01 1x4f s LEU 33 Ca 0.08 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 1x4f s LEU 33 Cb -0.04 -4.46 0.18 0.00 0.03 0.00 0.00 46.19 41.90 1x4f s LEU 33 CO 0.83 -0.53 0.65 -0.81 0.23 0.00 0.00 176.35 176.72 1x4f n PRO 34 N -1.39 -2.27 -2.82 1.29 -0.04 -1.26 -4.94 135.00 123.57 1x4f n PRO 34 Ca 0.06 -1.04 -0.11 0.00 -0.04 0.00 0.00 63.50 62.38 1x4f n PRO 34 Cb 0.54 -0.97 0.07 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.90 -1.90 -1.07 0.54 -0.00 -1.26 -4.95 115.22 102.68 1x4f n HIS 35 Ca 0.09 -2.50 -0.06 0.00 0.46 0.00 0.00 57.72 55.72 1x4f n HIS 35 Cb 0.35 1.07 0.30 0.00 -0.12 0.00 0.00 29.99 31.58 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 0.15 4.70 -2.65 0.26 7.64 -1.26 -4.90 113.62 117.56 1x4f n SER 36 Ca 0.09 -3.25 -0.16 0.00 1.01 0.00 0.00 58.87 56.56 1x4f n SER 36 Cb 0.72 -0.74 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.24 -0.09 3.96 0.23 0.00 -1.26 -5.02 105.19 102.78 1x4f n GLY 37 Ca 0.41 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.23 2.38 0.36 1.61 1.13 -1.26 -5.11 117.35 113.23 1x4f s TYR 38 Ca 0.35 0.07 0.07 0.00 -1.41 0.00 0.00 57.07 56.15 1x4f s TYR 38 Cb -0.15 -3.07 -0.00 0.00 -1.10 0.00 0.00 41.96 37.63 1x4f s TYR 38 CO 0.50 -1.44 0.49 0.45 -2.51 0.00 0.00 175.55 173.04 1x4f s SER 39 N -4.59 5.85 0.12 -0.18 0.15 -1.26 -5.02 113.70 108.77 1x4f s SER 39 Ca 0.62 -0.27 -0.21 0.00 0.70 0.00 0.00 55.95 56.79 1x4f s SER 39 Cb -0.08 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1x4f s SER 39 CO 0.43 -0.53 1.69 -2.24 1.20 0.00 0.00 173.24 173.80 1x4f h ASP 40 N 0.83 -0.28 -1.14 5.45 2.03 -2.00 -1.86 116.42 119.44 1x4f h ASP 40 Ca -0.44 0.06 0.43 0.00 -0.73 0.00 0.00 57.03 56.35 1x4f h ASP 40 Cb 1.26 0.15 -0.16 0.00 -0.83 0.00 0.00 39.33 39.75 1x4f h ASP 40 CO 0.51 -0.12 0.67 0.28 -1.03 0.00 0.00 179.24 179.55 1x4f h SER 41 N -0.09 0.30 -0.90 4.15 0.02 -1.97 1.43 113.55 116.49 1x4f h SER 41 Ca 0.08 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1x4f h SER 41 Cb 0.21 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1x4f h SER 41 CO -0.19 -0.33 0.50 0.00 -1.14 0.00 0.00 176.83 175.66 1x4f h ALA 42 N 1.83 1.15 0.00 3.77 0.00 -1.73 0.22 119.26 124.50 1x4f h ALA 42 Ca 0.85 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.56 1x4f h ALA 42 Cb 2.39 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1x4f h ALA 42 CO -0.63 0.65 -0.34 0.28 0.00 0.00 0.00 179.25 179.21 1x4f h VAL 43 N 1.25 0.79 0.00 0.00 2.07 0.19 -2.81 116.25 117.74 1x4f h VAL 43 Ca 0.32 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1x4f h VAL 43 Cb 0.02 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1x4f h VAL 43 CO -0.05 0.33 -0.66 0.18 0.02 0.00 0.00 177.57 177.39 1x4f n LEU 44 N -3.49 0.60 0.29 2.57 4.77 -0.69 -3.96 117.00 117.09 1x4f n LEU 44 Ca -0.00 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 1x4f n LEU 44 Cb 0.49 -0.19 0.88 0.00 -2.33 0.00 0.00 43.42 42.28 1x4f n LEU 44 CO 0.36 0.10 1.08 0.11 -1.33 0.00 0.00 177.39 177.71 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 1.57 -0.31 0.19 116.57 121.24 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 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1x4f h LYS 45 CO 0.00 0.04 -0.01 1.47 -0.57 0.00 0.00 179.45 180.38 1x4f n LEU 46 N -3.68 0.62 0.00 2.94 -0.00 -1.25 -3.49 117.00 112.14 1x4f n LEU 46 Ca -0.02 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1x4f n LEU 46 Cb 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1x4f n LEU 46 CO 0.27 0.10 0.10 0.00 -0.00 0.00 0.00 177.39 177.87 1x4f n ALA 47 N -0.55 1.16 0.36 1.47 0.00 0.21 -4.79 120.51 118.38 1x4f n ALA 47 Ca 0.21 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1x4f n ALA 47 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.90 0.00 0.00 4.39 -0.79 -2.45 114.58 114.83 1x4f h GLU 48 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1x4f h GLU 48 Cb 0.22 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1x4f h GLU 48 CO 0.00 -0.60 0.00 -0.35 -1.16 0.00 0.00 179.01 176.90 1x4f n PRO 49 N -5.08 0.49 -0.09 2.33 -0.04 -1.26 -2.50 135.00 128.85 1x4f n PRO 49 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1x4f n PRO 49 Cb 0.37 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.24 0.00 0.54 4.02 -1.11 -5.08 117.16 114.92 1x4f n TYR 50 Ca 0.08 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1x4f n TYR 50 Cb 0.04 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.32 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 2.02 0.44 3.68 2.72 0.00 -0.94 -4.49 105.19 108.62 1x4f n GLY 51 Ca -0.38 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 4.24 -0.74 1.61 1.02 -1.26 -4.47 119.74 118.14 1x4f s LYS 52 Ca 0.00 2.11 -0.26 0.00 0.02 0.00 0.00 55.97 57.84 1x4f s LYS 52 Cb 0.00 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1x4f s LYS 52 CO 0.00 -0.66 1.57 0.42 -0.92 0.00 0.00 175.35 175.75 1x4f s ILE 53 N 2.68 3.58 -0.07 2.17 1.01 -1.26 -0.27 121.20 129.04 1x4f s ILE 53 Ca 0.68 0.14 0.19 0.00 0.00 0.00 0.00 60.65 61.66 1x4f s ILE 53 Cb -0.34 -4.50 0.15 0.00 0.01 0.00 0.00 42.46 37.77 1x4f s ILE 53 CO 0.28 -1.44 1.59 0.11 0.00 0.00 0.00 174.94 175.48 1x4f h LYS 54 N 11.91 0.00 -1.37 2.79 6.56 -1.71 -3.47 116.57 131.28 1x4f h LYS 54 Ca -0.19 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.53 1x4f h LYS 54 Cb 1.08 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.48 1x4f h LYS 54 CO 1.27 0.36 0.68 1.21 -2.06 0.00 0.00 179.45 180.91 1x4f s ASN 55 N -6.36 -0.26 0.04 0.86 3.84 -1.19 -5.03 114.94 106.84 1x4f s ASN 55 Ca 0.03 0.35 -0.03 0.00 0.21 0.00 0.00 52.86 53.42 1x4f s ASN 55 Cb 0.08 0.31 -0.02 0.00 -0.55 0.00 0.00 41.25 41.07 1x4f s ASN 55 CO 0.70 -0.19 0.04 -0.72 -2.79 0.00 0.00 177.10 174.15 1x4f s TYR 56 N -0.69 0.29 -0.11 0.43 1.13 -1.26 -0.23 117.35 116.91 1x4f s TYR 56 Ca 0.03 -0.65 -0.03 0.00 -1.41 0.00 0.00 57.07 55.01 1x4f s TYR 56 Cb -0.02 -0.21 0.04 0.00 -1.10 0.00 0.00 41.96 40.67 1x4f s TYR 56 CO -0.05 -0.34 0.05 0.42 -2.51 0.00 0.00 175.55 173.12 1x4f s ILE 57 N -2.71 0.17 -0.64 -3.49 -1.09 0.12 -4.95 121.20 108.61 1x4f s ILE 57 Ca -0.04 -0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.24 1x4f s ILE 57 Cb -0.01 -0.55 0.16 0.00 -1.58 0.00 0.00 42.46 40.48 1x4f s ILE 57 CO -0.05 0.01 0.55 -0.22 -1.23 0.00 0.00 174.94 173.99 1x4f s LEU 58 N 2.04 6.15 -0.36 2.97 1.98 -1.26 -0.75 118.68 129.45 1x4f s LEU 58 Ca 0.03 -2.27 -0.16 0.00 -2.89 0.00 0.00 54.13 48.84 1x4f s LEU 58 Cb -0.14 -2.12 -0.01 0.00 0.66 0.00 0.00 46.19 44.59 1x4f s LEU 58 CO -0.06 -0.66 0.38 -0.04 -1.89 0.00 0.00 176.35 174.09 1x4f s MET 59 N 0.83 3.48 0.10 1.98 -1.94 0.12 -4.92 119.30 118.94 1x4f s MET 59 Ca 0.11 -0.47 0.25 0.00 -1.71 0.00 0.00 55.69 53.86 1x4f s MET 59 Cb -0.21 -3.84 0.42 0.00 2.01 0.00 0.00 34.83 33.22 1x4f s MET 59 CO -0.03 -0.59 1.37 -2.13 -0.01 0.00 0.00 175.02 173.63 1x4f n ARG 60 N 5.44 0.23 0.00 2.03 0.63 -1.26 -0.28 116.66 123.45 1x4f n ARG 60 Ca -0.09 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1x4f n ARG 60 Cb 0.49 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1x4f n MET 61 N -1.98 0.00 -0.77 -0.14 2.81 -1.26 -2.91 117.12 112.86 1x4f n MET 61 Ca 0.04 0.77 -0.03 0.00 -1.81 0.00 0.00 57.70 56.67 1x4f n MET 61 Cb 0.42 -1.27 0.20 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.07 1.84 -3.07 0.03 5.02 -1.26 -4.96 118.16 113.70 1x4f n LYS 62 Ca 0.00 -3.19 -0.13 0.00 -2.02 0.00 0.00 58.31 52.97 1x4f n LYS 62 Cb 0.00 -1.80 0.06 0.00 -0.02 0.00 0.00 35.03 33.27 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 -6.24 -4.24 4.39 7.64 -1.15 -4.79 113.62 108.13 1x4f n SER 63 Ca 0.31 -0.62 -0.14 0.00 1.01 0.00 0.00 58.87 59.44 1x4f n SER 63 Cb 0.99 -4.76 -0.10 0.00 -1.01 0.00 0.00 64.21 59.34 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 -4.20 1.04 -0.07 1.43 -0.21 0.62 -3.44 119.66 114.83 1x4f s GLN 64 Ca 0.40 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 1x4f s GLN 64 Cb -0.05 -0.51 0.09 0.00 1.00 0.00 0.00 33.01 33.54 1x4f s GLN 64 CO 0.67 0.03 0.79 0.00 -2.12 0.00 0.00 175.29 174.65 1x4f s ALA 65 N -3.42 -1.81 -0.12 6.09 0.00 -0.95 0.12 121.76 121.67 1x4f s ALA 65 Ca 0.17 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 1x4f s ALA 65 Cb 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1x4f s ALA 65 CO 0.00 -0.40 -0.07 -0.06 0.00 0.00 0.00 175.76 175.23 1x4f s PHE 66 N -1.45 1.49 -0.32 0.00 0.40 0.07 -0.59 117.98 117.58 1x4f s PHE 66 Ca -0.06 -0.76 -0.05 0.00 -0.60 0.00 0.00 56.93 55.46 1x4f s PHE 66 Cb -0.00 -1.24 0.04 0.00 0.51 0.00 0.00 43.02 42.33 1x4f s PHE 66 CO 0.05 -0.52 0.06 0.42 0.70 0.00 0.00 175.22 175.92 1x4f s ILE 67 N 1.71 3.51 -0.56 0.64 1.01 -0.13 0.15 121.20 127.53 1x4f s ILE 67 Ca 0.05 -1.14 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 1x4f s ILE 67 Cb -0.13 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.43 1x4f s ILE 67 CO -0.08 -0.10 0.89 -0.70 0.00 0.00 0.00 174.94 174.95 1x4f s GLU 68 N 1.37 3.26 1.03 2.79 2.12 0.68 -0.52 118.70 129.43 1x4f s GLU 68 Ca -0.02 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 1x4f s GLU 68 Cb -0.19 -4.09 0.21 0.00 0.26 0.00 0.00 34.13 30.32 1x4f s GLU 68 CO 0.01 -1.49 1.07 -1.64 -0.54 0.00 0.00 175.26 172.67 1x4f s MET 69 N 3.74 0.16 0.31 4.30 -1.94 -1.25 -2.38 119.30 122.25 1x4f s MET 69 Ca 0.26 0.76 0.12 0.00 -1.71 0.00 0.00 55.69 55.12 1x4f s MET 69 Cb -0.14 -1.69 0.51 0.00 2.01 0.00 0.00 34.83 35.51 1x4f s MET 69 CO 0.16 -2.97 1.69 1.49 -0.01 0.00 0.00 175.02 175.38 1x4f h GLU 70 N -2.08 0.00 -4.03 2.03 4.81 -0.92 -3.41 114.58 110.98 1x4f h GLU 70 Ca -0.55 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 1x4f h GLU 70 Cb 1.32 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.55 1x4f h GLU 70 CO 0.53 0.52 -0.52 0.95 -0.73 0.00 0.00 179.01 179.76 1x4f s THR 71 N -3.80 0.18 0.37 0.32 -4.23 -1.26 -5.00 115.64 102.21 1x4f s THR 71 Ca -0.02 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.07 1x4f s THR 71 Cb 0.13 -1.46 0.16 0.00 1.34 0.00 0.00 72.50 72.67 1x4f s THR 71 CO 0.74 -0.80 1.90 -0.09 -0.54 0.00 0.00 174.62 175.83 1x4f h ARG 72 N 2.94 0.31 0.12 3.99 2.43 -1.94 -3.00 114.38 119.23 1x4f h ARG 72 Ca -0.34 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1x4f h ARG 72 Cb 1.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1x4f h ARG 72 CO 0.61 0.43 -0.19 0.93 -1.51 0.00 0.00 179.97 180.24 1x4f h GLU 73 N 0.30 -0.36 0.14 0.20 5.08 -1.98 0.22 114.58 118.18 1x4f h GLU 73 Ca 0.06 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1x4f h GLU 73 Cb 0.37 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1x4f h GLU 73 CO 0.02 -0.24 -0.37 -0.44 -1.00 0.00 0.00 179.01 176.98 1x4f h ASP 74 N -0.37 -1.09 -0.34 1.42 3.32 -1.75 0.22 116.42 117.82 1x4f h ASP 74 Ca 0.02 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1x4f h ASP 74 Cb 0.38 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 1x4f h ASP 74 CO -0.09 -0.41 -0.29 0.00 -1.72 0.00 0.00 179.24 176.73 1x4f h ALA 75 N -0.91 -0.14 -0.89 3.45 0.00 -1.51 0.02 119.26 119.27 1x4f h ALA 75 Ca -0.01 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1x4f h ALA 75 Cb 0.55 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1x4f h ALA 75 CO -0.17 -0.70 0.46 0.52 0.00 0.00 0.00 179.25 179.36 1x4f h MET 76 N -0.25 0.56 0.00 0.00 2.86 -0.67 0.35 114.93 117.78 1x4f h MET 76 Ca 0.16 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1x4f h MET 76 Cb 0.51 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1x4f h MET 76 CO -0.48 0.37 -0.36 0.00 1.06 0.00 0.00 176.91 177.50 1x4f h ALA 77 N 1.63 1.34 0.45 6.32 0.00 0.84 -2.15 119.26 127.69 1x4f h ALA 77 Ca 0.52 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x4f h ALA 77 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x4f h ALA 77 CO -0.42 0.45 -0.22 1.98 0.00 0.00 0.00 179.25 181.04 1x4f h MET 78 N 0.00 -0.59 -0.85 0.00 4.05 0.12 -2.08 114.93 115.58 1x4f h MET 78 Ca -0.00 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.55 1x4f h MET 78 Cb 0.66 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 1x4f h MET 78 CO 0.05 -0.32 0.55 -0.39 0.23 0.00 0.00 176.91 177.02 1x4f h VAL 79 N -1.09 0.98 0.19 -5.77 -1.51 -1.30 -2.38 116.25 105.37 1x4f h VAL 79 Ca -0.06 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 1x4f h VAL 79 Cb 0.54 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 1x4f h VAL 79 CO 0.10 0.15 -0.09 -0.78 -1.23 0.00 0.00 177.57 175.72 1x4f h ASP 80 N 0.84 -0.22 -0.89 4.19 3.58 -1.42 -1.72 116.42 120.78 1x4f h ASP 80 Ca 0.39 -0.10 0.24 0.00 0.42 0.00 0.00 57.03 57.97 1x4f h ASP 80 Cb 0.39 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 1x4f h ASP 80 CO -0.15 -0.03 0.62 -0.74 -2.88 0.00 0.00 179.24 176.05 1x4f h HIS 81 N -0.41 0.23 0.00 0.28 2.76 -0.86 0.51 115.15 117.66 1x4f h HIS 81 Ca -0.03 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1x4f h HIS 81 Cb 0.31 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1x4f h HIS 81 CO -0.02 0.05 -0.64 0.00 -1.30 0.00 0.00 177.93 176.02 1x4f h LEU 83 N 0.00 0.77 0.13 0.00 3.38 0.92 -3.27 115.31 117.24 1x4f h LEU 83 Ca -0.01 -0.39 -0.22 0.00 0.09 0.00 0.00 57.88 57.36 1x4f h LEU 83 Cb 1.47 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 42.03 1x4f h LEU 83 CO 0.08 0.98 -0.93 0.11 0.09 0.00 0.00 178.44 178.78 1x4f h LYS 84 N 0.55 0.40 -5.92 1.13 6.56 -1.49 -3.47 116.57 114.34 1x4f h LYS 84 Ca 0.09 -0.61 -0.52 0.00 -1.06 0.00 0.00 60.65 58.55 1x4f h LYS 84 Cb 0.67 0.21 -0.17 0.00 -0.57 0.00 0.00 32.23 32.38 1x4f h LYS 84 CO 0.05 1.27 -0.77 0.21 -2.06 0.00 0.00 179.45 178.14 1x4f s LYS 85 N -2.69 1.32 -0.28 3.15 2.20 -0.80 -5.11 119.74 117.54 1x4f s LYS 85 Ca -0.12 -1.47 -0.29 0.00 -0.36 0.00 0.00 55.97 53.73 1x4f s LYS 85 Cb 0.02 -1.35 0.01 0.00 -1.51 0.00 0.00 37.83 35.00 1x4f s LYS 85 CO 0.86 0.27 1.12 0.00 -0.36 0.00 0.00 175.35 177.24 1x4f s ALA 86 N -2.22 3.53 -0.37 3.13 0.00 -1.26 -3.83 121.76 120.74 1x4f s ALA 86 Ca 0.18 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1x4f s ALA 86 Cb -0.05 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1x4f s ALA 86 CO 0.07 -1.41 1.08 -1.17 0.00 0.00 0.00 175.76 174.33 1x4f s LEU 87 N 3.66 3.85 -0.29 0.00 0.20 -1.26 -5.01 118.68 119.82 1x4f s LEU 87 Ca 0.48 0.84 -0.08 0.00 0.69 0.00 0.00 54.13 56.05 1x4f s LEU 87 Cb -0.14 -3.52 -0.00 0.00 -0.43 0.00 0.00 46.19 42.09 1x4f s LEU 87 CO 0.15 -0.99 0.11 0.26 -0.29 0.00 0.00 176.35 175.58 1x4f s TRP 88 N 3.88 3.15 -0.06 5.38 0.52 -1.26 -3.48 118.94 127.08 1x4f s TRP 88 Ca 0.46 -0.75 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 1x4f s TRP 88 Cb -0.11 -2.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1x4f s TRP 88 CO 0.21 -0.50 -0.04 0.35 0.02 0.00 0.00 176.95 176.99 1x4f h PHE 89 N 8.28 0.00 -1.99 -1.98 3.57 -1.88 -3.45 116.94 119.49 1x4f h PHE 89 Ca -0.33 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.69 1x4f h PHE 89 Cb 1.14 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 39.48 1x4f h PHE 89 CO 0.63 0.00 -1.19 1.04 -2.23 0.00 0.00 178.31 176.56 1x4f n GLN 90 N -3.42 0.95 -0.76 1.11 6.02 -1.26 -4.89 117.38 115.13 1x4f n GLN 90 Ca -0.01 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.61 1x4f n GLN 90 Cb 0.06 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 0.35 0.71 3.29 1.08 0.00 -1.26 -4.93 105.19 104.43 1x4f n GLY 91 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.24 1.16 -0.46 1.61 0.52 -1.26 -5.04 118.95 115.24 1x4f s ARG 92 Ca 0.00 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 53.90 1x4f s ARG 92 Cb 0.00 -1.24 0.17 0.00 0.52 0.00 0.00 34.95 34.40 1x4f s ARG 92 CO 0.00 0.26 2.40 0.00 0.02 0.00 0.00 175.30 177.98 1x4f n VAL 94 N 0.43 0.44 -3.05 0.00 3.14 -1.23 -4.84 118.33 113.21 1x4f n VAL 94 Ca 0.44 -0.11 -0.41 0.00 -2.96 0.00 0.00 64.34 61.30 1x4f n VAL 94 Cb 0.55 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.27 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 -0.22 4.01 -0.30 1.45 2.47 -0.20 -4.68 119.74 122.28 1x4f s LYS 95 Ca 0.58 0.51 -0.04 0.00 -1.56 0.00 0.00 55.97 55.47 1x4f s LYS 95 Cb -0.82 -3.69 0.03 0.00 -1.46 0.00 0.00 37.83 31.89 1x4f s LYS 95 CO 0.40 -0.54 0.02 0.54 0.16 0.00 0.00 175.35 175.93 1x4f s VAL 96 N 2.68 3.32 0.02 4.02 0.11 -1.26 -0.66 120.40 128.63 1x4f s VAL 96 Ca 0.28 -1.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1x4f s VAL 96 Cb -0.15 -2.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 1x4f s VAL 96 CO 0.10 -0.02 -0.06 -1.81 -3.33 0.00 0.00 175.10 169.98 1x4f s ASP 97 N 1.35 0.65 0.15 3.54 1.01 -0.42 -4.55 116.67 118.40 1x4f s ASP 97 Ca -0.02 -0.36 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 1x4f s ASP 97 Cb -0.19 0.01 -0.07 0.00 1.01 0.00 0.00 42.92 43.68 1x4f s ASP 97 CO -0.00 -0.12 1.14 -0.22 0.21 0.00 0.00 175.17 176.18 1x4f s LEU 98 N -1.00 4.45 -0.03 1.23 0.20 -1.26 0.02 118.68 122.28 1x4f s LEU 98 Ca -0.06 2.10 -0.17 0.00 0.69 0.00 0.00 54.13 56.69 1x4f s LEU 98 Cb -0.07 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.04 1x4f s LEU 98 CO 0.00 -0.30 0.46 -0.55 -0.29 0.00 0.00 176.35 175.67 1x4f s SER 99 N 0.18 6.81 -0.40 3.68 0.15 0.24 -4.87 113.70 119.49 1x4f s SER 99 Ca 0.52 0.96 0.06 0.00 0.70 0.00 0.00 55.95 58.19 1x4f s SER 99 Cb -0.30 -2.28 0.43 0.00 -1.71 0.00 0.00 66.02 62.16 1x4f s SER 99 CO 0.34 0.20 1.13 -1.84 1.20 0.00 0.00 173.24 174.26 1x4f n GLU 100 N 2.50 3.41 0.00 5.44 0.28 -1.26 -4.38 120.64 126.63 1x4f n GLU 100 Ca -0.11 -4.38 0.00 0.00 -0.16 0.00 0.00 57.16 52.51 1x4f n GLU 100 Cb 0.52 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.16 1x4f n GLU 100 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1x4f n LYS 101 N -0.53 0.00 0.18 3.44 2.85 -1.26 -4.96 118.16 117.87 1x4f n LYS 101 Ca 0.39 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.55 1x4f n LYS 101 Cb 0.75 -0.23 -0.05 0.00 -0.65 0.00 0.00 35.03 34.85 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 -0.48 0.00 5.58 -1.99 -1.98 -3.46 116.97 114.64 1x4f h TYR 102 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x4f h TYR 102 Cb 0.00 0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1x4f h TYR 102 CO 0.00 -0.21 0.00 1.17 -0.00 0.00 0.00 178.16 179.12 1x4f n LYS 103 N -5.13 0.00 -4.28 4.88 4.81 -1.26 -4.82 118.16 112.37 1x4f n LYS 103 Ca -0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 1x4f n LYS 103 Cb 0.25 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.20 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1x4f s LYS 104 N 0.00 1.15 -0.27 1.64 -2.85 -1.26 -3.97 119.74 114.18 1x4f s LYS 104 Ca 0.00 -1.53 -0.08 0.00 -1.00 0.00 0.00 55.97 53.37 1x4f s LYS 104 Cb 0.00 -0.63 -0.02 0.00 -2.06 0.00 0.00 37.83 35.13 1x4f s LYS 104 CO 0.00 0.02 0.09 -0.51 0.10 0.00 0.00 175.35 175.05 1x4f s LEU 105 N -3.21 3.65 -0.07 2.77 1.43 -1.26 -5.09 118.68 116.89 1x4f s LEU 105 Ca 0.21 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1x4f s LEU 105 Cb 0.03 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1x4f s LEU 105 CO 0.03 -0.10 -0.24 0.54 0.23 0.00 0.00 176.35 176.82 1x4f s VAL 106 N 1.59 2.17 -0.14 -1.59 0.11 -1.26 -5.08 120.40 116.20 1x4f s VAL 106 Ca 0.05 -1.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.05 1x4f s VAL 106 Cb -0.16 -1.80 0.05 0.00 -1.53 0.00 0.00 36.38 32.94 1x4f s VAL 106 CO 0.04 0.57 0.06 -0.55 -3.33 0.00 0.00 175.10 171.88 1x4f s SER 107 N -0.06 2.18 0.00 3.54 0.15 -1.26 -4.87 113.70 113.38 1x4f s SER 107 Ca -0.06 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1x4f s SER 107 Cb -0.15 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1x4f s SER 107 CO 0.05 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x4f n GLY 108 N 5.21 -0.91 0.24 9.45 0.00 -1.26 -4.92 105.19 112.99 1x4f n GLY 108 Ca -0.07 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1x4f n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4f h PRO 109 N 0.00 0.00 -6.00 1.61 0.13 -2.06 -3.43 132.00 122.25 1x4f h PRO 109 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1x4f h PRO 109 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1x4f h PRO 109 CO 0.00 0.18 1.45 0.45 -0.23 0.00 0.00 178.00 179.85 1x4f n SER 110 N -3.41 2.86 -3.26 1.44 2.88 -1.26 -4.89 113.62 107.98 1x4f n SER 110 Ca -0.00 0.31 0.03 0.00 -1.33 0.00 0.00 58.87 57.88 1x4f n SER 110 Cb 0.37 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.37 1x4f n SER 110 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4f s SER 111 N 7.80 -1.01 0.00 -3.46 1.04 -1.26 -5.05 113.70 111.76 1x4f s SER 111 Ca 1.04 0.83 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1x4f s SER 111 Cb -0.54 1.93 0.00 0.00 0.10 0.00 0.00 66.02 67.51 1x4f s SER 111 CO 0.41 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.05