#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h n SER 2 N 0.00 0.40 -0.09 1.61 7.64 -1.26 -4.90 113.62 117.02 1x0h n SER 2 Ca 0.00 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.73 1x0h n SER 2 Cb 0.00 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1x0h n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x0h n SER 3 N 0.03 2.45 -2.58 6.43 7.64 -1.26 -5.05 113.62 121.27 1x0h n SER 3 Ca -0.04 -0.04 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 1x0h n SER 3 Cb 0.96 -0.31 0.06 0.00 -1.01 0.00 0.00 64.21 63.90 1x0h n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 4 N 2.55 -0.08 0.06 0.23 0.00 -1.26 -4.99 105.19 101.70 1x0h n GLY 4 Ca -0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 1x0h n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x0h h SER 5 N -1.28 -0.06 -1.51 1.61 0.02 -2.02 -3.46 113.55 106.85 1x0h h SER 5 Ca -0.38 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.31 1x0h h SER 5 Cb 1.22 0.02 -0.25 0.00 0.14 0.00 0.00 62.40 63.53 1x0h h SER 5 CO 0.33 0.32 -0.61 -0.55 -1.14 0.00 0.00 176.83 175.18 1x0h s SER 6 N -4.89 -0.18 -0.08 3.07 0.15 -1.26 -4.98 113.70 105.53 1x0h s SER 6 Ca -0.01 -1.58 0.12 0.00 0.70 0.00 0.00 55.95 55.18 1x0h s SER 6 Cb 0.00 1.15 0.21 0.00 -1.71 0.00 0.00 66.02 65.67 1x0h s SER 6 CO 0.03 -0.17 1.10 0.61 1.20 0.00 0.00 173.24 176.01 1x0h n GLY 7 N 3.82 3.07 3.77 9.45 0.00 -1.26 -5.08 105.19 118.96 1x0h n GLY 7 Ca 0.15 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x0h s ILE 8 N -1.68 0.00 0.28 -0.61 -4.36 -1.26 -5.19 121.20 108.38 1x0h s ILE 8 Ca 0.21 -1.08 -0.09 0.00 -0.26 0.00 0.00 60.65 59.43 1x0h s ILE 8 Cb 0.19 -2.76 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 1x0h s ILE 8 CO -0.00 0.00 0.47 -0.44 0.24 0.00 0.00 174.94 175.21 1x0h s SER 9 N -3.08 0.21 -0.41 4.36 0.01 -1.26 -4.67 113.70 108.86 1x0h s SER 9 Ca 0.17 -1.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.04 1x0h s SER 9 Cb -0.05 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.81 1x0h s SER 9 CO 0.12 -1.19 0.89 -0.76 0.41 0.00 0.00 173.24 172.71 1x0h s LEU 10 N -3.09 4.04 -0.34 2.44 1.43 -1.16 -4.98 118.68 117.02 1x0h s LEU 10 Ca 0.26 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 1x0h s LEU 10 Cb -0.00 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1x0h s LEU 10 CO 0.13 -0.93 0.40 -0.54 0.23 0.00 0.00 176.35 175.64 1x0h s LYS 11 N 3.52 3.61 -0.10 1.70 -0.14 -1.26 -3.24 119.74 123.83 1x0h s LYS 11 Ca 0.36 -0.31 -0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1x0h s LYS 11 Cb -0.11 -3.79 0.05 0.00 -1.68 0.00 0.00 37.83 32.29 1x0h s LYS 11 CO 0.22 -0.54 0.22 0.71 -0.76 0.00 0.00 175.35 175.20 1x0h s TYR 12 N 2.12 -0.29 0.73 3.18 2.02 -1.08 -5.03 117.35 119.00 1x0h s TYR 12 Ca 0.14 0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 57.46 1x0h s TYR 12 Cb -0.16 -0.04 0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1x0h s TYR 12 CO 0.12 -0.25 1.09 0.95 -1.57 0.00 0.00 175.55 175.89 1x0h s THR 13 N 1.60 3.51 0.43 -0.71 -4.23 -1.26 -0.76 115.64 114.22 1x0h s THR 13 Ca -0.06 0.49 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 1x0h s THR 13 Cb -0.11 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.65 1x0h s THR 13 CO -0.08 -0.64 2.06 0.00 -0.54 0.00 0.00 174.62 175.43 1x0h h ALA 14 N -0.80 1.81 -0.43 3.99 0.00 -1.15 -1.50 119.26 121.19 1x0h h ALA 14 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1x0h h ALA 14 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1x0h h ALA 14 CO 0.61 0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.99 1x0h h ALA 15 N 1.78 1.16 -0.32 0.00 0.00 -1.77 0.81 119.26 120.92 1x0h h ALA 15 Ca 0.14 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1x0h h ALA 15 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x0h h ALA 15 CO -0.03 0.54 -0.48 -0.09 0.00 0.00 0.00 179.25 179.19 1x0h h ARG 16 N 0.66 0.87 -0.09 0.00 1.12 -1.61 -2.13 114.38 113.20 1x0h h ARG 16 Ca 0.13 -0.51 -0.18 0.00 -1.11 0.00 0.00 59.98 58.30 1x0h h ARG 16 Cb 0.44 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1x0h h ARG 16 CO 0.02 1.15 -0.72 -0.07 -3.11 0.00 0.00 179.97 177.25 1x0h h LEU 17 N 0.69 0.52 -0.47 3.80 3.38 -1.22 -2.97 115.31 119.03 1x0h h LEU 17 Ca 0.03 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1x0h h LEU 17 Cb 1.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1x0h h LEU 17 CO 0.11 1.08 -0.06 -0.74 0.09 0.00 0.00 178.44 178.92 1x0h h HIS 18 N 0.31 0.96 -0.68 1.13 2.76 -0.81 -1.80 115.15 117.03 1x0h h HIS 18 Ca -0.03 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 1x0h h HIS 18 Cb 1.29 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 1x0h h HIS 18 CO 0.05 0.93 0.40 0.93 -1.30 0.00 0.00 177.93 178.94 1x0h h GLU 19 N 0.72 0.93 -0.07 5.26 4.39 -1.39 -2.23 114.58 122.18 1x0h h GLU 19 Ca 0.13 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1x0h h GLU 19 Cb 0.59 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1x0h h GLU 19 CO 0.04 0.67 -0.30 0.87 -1.16 0.00 0.00 179.01 179.13 1x0h h LYS 20 N 0.92 0.12 0.00 2.33 1.57 -1.42 -3.47 116.57 116.63 1x0h h LYS 20 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x0h h LYS 20 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1x0h h LYS 20 CO -0.04 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 179.66 1x0h n GLY 21 N -0.56 2.13 0.16 3.86 0.00 -0.84 -5.01 105.19 104.93 1x0h n GLY 21 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1x0h n GLY 21 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0h h VAL 22 N 0.00 0.00 -2.95 1.61 2.07 -1.59 -3.40 116.25 111.99 1x0h h VAL 22 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 1x0h h VAL 22 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1x0h h VAL 22 CO 0.00 0.00 0.92 -0.22 0.02 0.00 0.00 177.57 178.29 1x0h s LEU 23 N -6.21 4.13 -0.03 2.57 2.96 -0.98 0.83 118.68 121.94 1x0h s LEU 23 Ca -0.06 1.61 -0.00 0.00 -0.22 0.00 0.00 54.13 55.46 1x0h s LEU 23 Cb 0.01 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1x0h s LEU 23 CO 0.19 -0.81 0.03 -0.07 -1.32 0.00 0.00 176.35 174.37 1x0h h LEU 24 N 9.92 -0.01 -7.99 -0.68 3.38 -0.72 -3.35 115.31 115.86 1x0h h LEU 24 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1x0h h LEU 24 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1x0h h LEU 24 CO 0.98 0.16 0.09 -1.61 0.09 0.00 0.00 178.44 178.15 1x0h s GLU 25 N -1.26 1.63 -0.10 1.13 2.02 -1.18 -5.02 118.70 115.92 1x0h s GLU 25 Ca -0.00 -1.03 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1x0h s GLU 25 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 34.13 34.81 1x0h s GLU 25 CO 0.01 -0.72 -0.05 0.42 0.02 0.00 0.00 175.26 174.94 1x0h s ILE 26 N -3.94 0.83 -1.27 -1.63 1.01 -1.26 -0.11 121.20 114.83 1x0h s ILE 26 Ca 0.14 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1x0h s ILE 26 Cb -0.03 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 1x0h s ILE 26 CO 0.05 0.34 2.43 -0.62 0.00 0.00 0.00 174.94 177.14 1x0h n GLU 27 N 4.99 2.76 0.00 2.79 -0.58 -1.23 -3.27 120.64 126.10 1x0h n GLU 27 Ca -0.11 -2.00 0.00 0.00 -0.42 0.00 0.00 57.16 54.63 1x0h n GLU 27 Cb 0.50 -2.80 0.00 0.00 -0.57 0.00 0.00 31.44 28.57 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x0h n ASP 28 N 4.77 0.00 -4.69 1.62 -0.08 -1.26 -4.92 116.55 111.99 1x0h n ASP 28 Ca 0.59 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.59 1x0h n ASP 28 Cb 0.25 0.06 -0.08 0.00 2.34 0.00 0.00 41.12 43.69 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1x0h s LEU 29 N -3.82 3.44 0.54 -2.67 2.01 -1.20 -5.13 118.68 111.84 1x0h s LEU 29 Ca 0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 54.13 53.85 1x0h s LEU 29 Cb 0.00 -2.13 0.01 0.00 0.01 0.00 0.00 46.19 44.08 1x0h s LEU 29 CO 0.00 0.13 0.81 -1.10 1.01 0.00 0.00 176.35 177.20 1x0h s GLN 30 N -2.63 2.94 0.50 1.70 -0.21 -1.26 -4.47 119.66 116.23 1x0h s GLN 30 Ca 0.27 -0.23 0.27 0.00 0.02 0.00 0.00 55.36 55.69 1x0h s GLN 30 Cb -0.11 -2.39 1.36 0.00 1.00 0.00 0.00 33.01 32.88 1x0h s GLN 30 CO 0.19 -0.55 1.90 0.28 -2.12 0.00 0.00 175.29 174.98 1x0h h VAL 31 N 0.04 0.61 0.00 1.09 2.07 -2.00 0.38 116.25 118.44 1x0h h VAL 31 Ca -0.45 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.86 1x0h h VAL 31 Cb 1.26 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1x0h h VAL 31 CO 0.59 0.02 -0.81 -0.55 0.02 0.00 0.00 177.57 176.84 1x0h h ASN 32 N 0.11 0.00 1.07 0.57 -1.07 -2.04 -3.07 115.58 111.15 1x0h h ASN 32 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.78 1x0h h ASN 32 Cb 1.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 1x0h h ASN 32 CO -0.05 0.81 -0.05 0.00 0.07 0.00 0.00 177.43 178.21 1x0h n GLN 33 N -3.56 0.06 -0.08 4.14 6.02 0.13 -3.69 117.38 120.41 1x0h n GLN 33 Ca -0.00 0.05 0.23 0.00 -0.01 0.00 0.00 57.00 57.26 1x0h n GLN 33 Cb 0.78 -1.57 0.69 0.00 1.02 0.00 0.00 30.24 31.16 1x0h n GLN 33 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1x0h h PHE 34 N 0.00 0.05 -0.10 1.08 -1.00 -1.21 0.26 116.94 116.02 1x0h h PHE 34 Ca 0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 1x0h h PHE 34 Cb 0.56 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 1x0h h PHE 34 CO 0.00 0.02 -0.37 -0.22 -1.61 0.00 0.00 178.31 176.12 1x0h h LYS 35 N 0.04 0.20 0.19 1.51 3.11 -1.79 -2.50 116.57 117.33 1x0h h LYS 35 Ca 0.33 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 1x0h h LYS 35 Cb 1.26 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1x0h h LYS 35 CO -0.02 0.55 -0.09 -0.91 -2.81 0.00 0.00 179.45 176.18 1x0h h ASN 36 N 0.17 -0.22 -3.82 4.20 2.35 -0.74 -3.44 115.58 114.08 1x0h h ASN 36 Ca 0.02 -0.26 -0.53 0.00 -0.55 0.00 0.00 56.30 54.98 1x0h h ASN 36 Cb 0.75 0.06 0.08 0.00 0.05 0.00 0.00 38.32 39.26 1x0h h ASN 36 CO 0.06 0.17 0.73 -0.69 -1.65 0.00 0.00 177.43 176.04 1x0h s VAL 37 N -4.54 2.38 -0.07 2.81 1.01 -1.11 -4.99 120.40 115.89 1x0h s VAL 37 Ca -0.14 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1x0h s VAL 37 Cb 0.02 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1x0h s VAL 37 CO 0.58 0.08 -0.14 -0.51 0.00 0.00 0.00 175.10 175.11 1x0h s ILE 38 N -0.94 1.28 -0.33 2.22 2.07 -1.26 -2.52 121.20 121.72 1x0h s ILE 38 Ca 0.53 -0.58 -0.13 0.00 -1.41 0.00 0.00 60.65 59.06 1x0h s ILE 38 Cb -0.43 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 1x0h s ILE 38 CO 0.56 0.39 0.25 -0.36 -1.91 0.00 0.00 174.94 173.87 1x0h s PHE 39 N 0.53 3.23 -0.38 3.50 0.08 0.06 -4.52 117.98 120.48 1x0h s PHE 39 Ca -0.14 -0.11 -0.07 0.00 0.12 0.00 0.00 56.93 56.73 1x0h s PHE 39 Cb -0.15 -2.49 0.06 0.00 -0.57 0.00 0.00 43.02 39.87 1x0h s PHE 39 CO 0.04 -0.33 0.17 -2.00 -0.10 0.00 0.00 175.22 173.00 1x0h s GLU 40 N 1.78 2.55 -0.37 0.44 2.12 -0.75 -2.64 118.70 121.83 1x0h s GLU 40 Ca 0.07 -1.35 -0.11 0.00 0.36 0.00 0.00 54.97 53.95 1x0h s GLU 40 Cb -0.17 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.65 1x0h s GLU 40 CO 0.11 -0.82 0.20 0.42 -0.54 0.00 0.00 175.26 174.64 1x0h s ILE 41 N 1.39 4.55 -0.07 -3.70 1.01 -1.20 -0.75 121.20 122.42 1x0h s ILE 41 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 1x0h s ILE 41 Cb -0.21 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1x0h s ILE 41 CO 0.02 -0.24 0.48 -0.44 0.00 0.00 0.00 174.94 174.76 1x0h s SER 42 N 1.55 6.76 0.69 3.58 0.01 0.15 -3.00 113.70 123.44 1x0h s SER 42 Ca 0.02 0.90 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 1x0h s SER 42 Cb -0.19 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1x0h s SER 42 CO 0.07 0.09 1.06 -2.16 0.41 0.00 0.00 173.24 172.70 1x0h s PRO 43 N 0.13 2.97 0.46 12.44 0.04 -1.26 -1.54 135.00 148.24 1x0h s PRO 43 Ca 0.26 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.34 1x0h s PRO 43 Cb -0.16 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1x0h s PRO 43 CO 0.12 -1.08 0.31 0.95 0.04 0.00 0.00 177.00 177.35 1x0h s THR 44 N -3.01 2.19 0.19 1.26 -4.23 -1.26 -4.85 115.64 105.94 1x0h s THR 44 Ca 0.58 -1.52 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1x0h s THR 44 Cb -0.14 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 70.87 1x0h s THR 44 CO 0.54 0.00 1.43 -0.33 -0.54 0.00 0.00 174.62 175.72 1x0h h GLU 45 N 1.07 0.13 -6.12 3.99 5.08 -1.98 -3.45 114.58 113.30 1x0h h GLU 45 Ca -0.40 -0.13 -0.52 0.00 -1.00 0.00 0.00 59.36 57.30 1x0h h GLU 45 Cb 1.27 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1x0h h GLU 45 CO 0.62 0.87 -0.48 -1.21 -1.00 0.00 0.00 179.01 177.80 1x0h s GLU 46 N -3.29 3.29 0.32 2.33 0.41 -1.26 -5.10 118.70 115.40 1x0h s GLU 46 Ca -0.02 -0.73 -0.22 0.00 -0.41 0.00 0.00 54.97 53.59 1x0h s GLU 46 Cb 0.11 -2.85 -0.10 0.00 -1.78 0.00 0.00 34.13 29.51 1x0h s GLU 46 CO 0.81 0.48 0.86 0.54 -0.49 0.00 0.00 175.26 177.46 1x0h s VAL 47 N -1.84 4.41 0.00 2.63 0.11 -1.26 -3.84 120.40 120.61 1x0h s VAL 47 Ca 0.34 1.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 1x0h s VAL 47 Cb -0.10 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 1x0h s VAL 47 CO 0.27 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 1x0h n GLY 48 N 0.23 2.91 3.81 6.54 0.00 -1.26 -5.02 105.19 112.39 1x0h n GLY 48 Ca 0.02 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1x0h n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0h s ASP 49 N 0.77 6.66 0.36 1.61 1.01 -1.25 -3.07 116.67 122.76 1x0h s ASP 49 Ca 0.00 0.79 0.03 0.00 0.71 0.00 0.00 52.55 54.08 1x0h s ASP 49 Cb 0.00 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1x0h s ASP 49 CO 0.00 0.25 0.08 -0.36 0.21 0.00 0.00 175.17 175.36 1x0h s PHE 50 N -0.55 1.87 -0.25 4.23 0.08 -0.95 -4.04 117.98 118.36 1x0h s PHE 50 Ca 0.21 -1.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.14 1x0h s PHE 50 Cb -0.15 -1.23 0.08 0.00 -0.57 0.00 0.00 43.02 41.15 1x0h s PHE 50 CO 0.10 -0.12 0.09 -2.00 -0.10 0.00 0.00 175.22 173.19 1x0h s GLU 51 N -3.84 0.46 -0.06 0.44 2.12 -0.59 -1.79 118.70 115.44 1x0h s GLU 51 Ca 0.31 -0.59 -0.16 0.00 0.36 0.00 0.00 54.97 54.89 1x0h s GLU 51 Cb 0.06 -1.77 -0.05 0.00 0.26 0.00 0.00 34.13 32.63 1x0h s GLU 51 CO 0.15 -0.85 0.41 0.08 -0.54 0.00 0.00 175.26 174.51 1x0h s VAL 52 N 1.90 5.12 -0.25 3.70 1.01 0.10 0.33 120.40 132.31 1x0h s VAL 52 Ca 0.05 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1x0h s VAL 52 Cb -0.17 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1x0h s VAL 52 CO -0.21 0.47 0.08 -0.75 0.00 0.00 0.00 175.10 174.69 1x0h s LYS 53 N -0.31 0.47 -0.33 2.72 2.20 0.07 -3.00 119.74 121.56 1x0h s LYS 53 Ca 0.23 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 1x0h s LYS 53 Cb -0.16 -1.79 0.10 0.00 -1.51 0.00 0.00 37.83 34.48 1x0h s LYS 53 CO 0.11 -0.84 0.06 0.00 -0.36 0.00 0.00 175.35 174.32 1x0h s ALA 54 N 1.90 2.63 0.02 3.13 0.00 -1.26 -1.80 121.76 126.37 1x0h s ALA 54 Ca 0.05 -2.37 -0.18 0.00 0.00 0.00 0.00 51.96 49.46 1x0h s ALA 54 Cb -0.17 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1x0h s ALA 54 CO -0.21 -1.69 0.39 -1.59 0.00 0.00 0.00 175.76 172.67 1x0h s LYS 55 N 1.04 0.84 -0.08 0.00 -2.85 -1.26 -5.07 119.74 112.36 1x0h s LYS 55 Ca 0.11 -0.28 -0.16 0.00 -1.00 0.00 0.00 55.97 54.64 1x0h s LYS 55 Cb -0.19 0.37 -0.12 0.00 -2.06 0.00 0.00 37.83 35.84 1x0h s LYS 55 CO -0.11 -0.27 0.59 0.35 0.10 0.00 0.00 175.35 176.01 1x0h h PHE 56 N 3.31 -0.16 0.00 1.78 3.57 -1.98 -3.43 116.94 120.03 1x0h h PHE 56 Ca -0.30 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.09 1x0h h PHE 56 Cb 1.19 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1x0h h PHE 56 CO 0.45 0.22 -1.38 0.00 -2.23 0.00 0.00 178.31 175.36 1x0h n MET 57 N -4.87 2.09 -1.27 1.11 0.00 -1.26 -5.08 117.12 107.84 1x0h n MET 57 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.65 1x0h n MET 57 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 33.22 32.30 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x0h n GLY 58 N 2.84 -2.45 0.25 3.17 0.00 -1.26 -5.06 105.19 102.68 1x0h n GLY 58 Ca -0.10 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1x0h n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x0h n VAL 59 N 0.13 0.44 -1.92 1.61 3.14 -1.26 -5.04 118.33 115.44 1x0h n VAL 59 Ca 0.00 -0.15 -0.32 0.00 -2.96 0.00 0.00 64.34 60.91 1x0h n VAL 59 Cb 0.00 -1.03 0.02 0.00 -1.06 0.00 0.00 33.84 31.77 1x0h n VAL 59 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1x0h s GLN 60 N -2.15 3.28 0.30 1.45 0.74 -1.26 -5.08 119.66 116.94 1x0h s GLN 60 Ca -0.11 1.07 0.05 0.00 0.05 0.00 0.00 55.36 56.42 1x0h s GLN 60 Cb 0.03 -2.03 0.05 0.00 1.10 0.00 0.00 33.01 32.16 1x0h s GLN 60 CO 0.17 -0.83 0.38 -1.33 -0.55 0.00 0.00 175.29 173.12 1x0h n MET 61 N -2.39 0.84 -2.18 1.67 2.81 -1.26 -4.97 117.12 111.64 1x0h n MET 61 Ca 0.08 -1.65 -0.02 0.00 -1.81 0.00 0.00 57.70 54.30 1x0h n MET 61 Cb 0.53 -0.07 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1x0h n MET 61 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1x0h n GLU 62 N -1.57 -4.00 -2.20 0.03 4.07 -1.26 -4.97 120.64 110.75 1x0h n GLU 62 Ca 0.07 3.03 -0.33 0.00 -0.06 0.00 0.00 57.16 59.87 1x0h n GLU 62 Cb 0.31 -4.01 -0.00 0.00 -0.06 0.00 0.00 31.44 27.68 1x0h n GLU 62 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x0h s THR 63 N -0.50 3.84 0.14 6.31 2.01 -1.26 -5.03 115.64 121.16 1x0h s THR 63 Ca -0.08 0.94 -0.25 0.00 0.31 0.00 0.00 61.69 62.61 1x0h s THR 63 Cb 0.01 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 69.02 1x0h s THR 63 CO 0.22 -0.44 0.77 0.12 -0.69 0.00 0.00 174.62 174.59 1x0h s PHE 64 N -2.33 3.88 -0.08 4.92 5.36 -1.16 -4.97 117.98 123.59 1x0h s PHE 64 Ca 0.64 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 58.24 1x0h s PHE 64 Cb -0.16 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.74 1x0h s PHE 64 CO 0.32 0.48 -0.17 -1.64 -1.46 0.00 0.00 175.22 172.75 1x0h s MET 65 N -0.97 2.82 -0.21 10.12 -1.94 -1.26 0.03 119.30 127.89 1x0h s MET 65 Ca 0.36 -0.76 -0.07 0.00 -1.71 0.00 0.00 55.69 53.52 1x0h s MET 65 Cb -0.23 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1x0h s MET 65 CO 0.25 0.41 0.05 -1.17 -0.01 0.00 0.00 175.02 174.55 1x0h s LEU 66 N -0.19 3.52 0.52 -0.03 2.96 -0.74 -4.91 118.68 119.81 1x0h s LEU 66 Ca -0.01 -0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 1x0h s LEU 66 Cb -0.13 -1.91 -0.07 0.00 0.50 0.00 0.00 46.19 44.58 1x0h s LEU 66 CO 0.03 0.07 0.96 -1.00 -1.32 0.00 0.00 176.35 175.09 1x0h s HIS 67 N 1.01 3.49 -0.07 5.38 3.76 -1.26 -2.24 115.29 125.35 1x0h s HIS 67 Ca 0.03 1.36 -0.03 0.00 -0.15 0.00 0.00 55.06 56.27 1x0h s HIS 67 Cb -0.14 -2.72 -0.26 0.00 1.11 0.00 0.00 32.58 30.57 1x0h s HIS 67 CO 0.03 -0.39 0.55 -0.92 -0.85 0.00 0.00 174.74 173.15 1x0h h TYR 68 N 0.70 0.42 -0.57 1.40 3.20 -1.96 -3.33 116.97 116.83 1x0h h TYR 68 Ca -0.46 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.06 1x0h h TYR 68 Cb 1.19 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1x0h h TYR 68 CO 0.64 1.55 0.17 1.96 -1.64 0.00 0.00 178.16 180.84 1x0h h GLN 69 N 0.06 0.85 -0.83 1.82 7.50 -1.95 -2.50 115.11 120.07 1x0h h GLN 69 Ca -0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 58.61 1x0h h GLN 69 Cb 2.04 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 29.39 1x0h h GLN 69 CO 0.11 0.74 0.41 -0.44 -1.50 0.00 0.00 178.83 178.15 1x0h h ASP 70 N 0.83 1.07 0.20 1.46 5.19 -1.99 -0.32 116.42 122.86 1x0h h ASP 70 Ca 0.19 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1x0h h ASP 70 Cb 0.25 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1x0h h ASP 70 CO -0.01 0.89 -0.09 -0.07 -3.12 0.00 0.00 179.24 176.84 1x0h h LEU 71 N 1.18 -0.22 -1.60 1.55 3.38 -1.57 -2.95 115.31 115.07 1x0h h LEU 71 Ca 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x0h h LEU 71 Cb 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1x0h h LEU 71 CO -0.04 0.06 0.18 -0.07 0.09 0.00 0.00 178.44 178.66 1x0h h LEU 72 N -0.51 0.39 -1.85 1.67 3.38 -1.34 -1.48 115.31 115.57 1x0h h LEU 72 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x0h h LEU 72 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1x0h h LEU 72 CO 0.04 0.32 0.07 -0.61 0.09 0.00 0.00 178.44 178.35 1x0h h GLN 73 N 0.45 0.17 -0.23 1.13 -0.00 -0.89 -2.23 115.11 113.51 1x0h h GLN 73 Ca 0.12 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.65 1x0h h GLN 73 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.45 1x0h h GLN 73 CO -0.02 0.13 -0.28 -0.07 0.00 0.00 0.00 178.83 178.58 1x0h h LEU 74 N 0.18 0.65 -1.84 -2.39 3.38 -1.11 -2.87 115.31 111.31 1x0h h LEU 74 Ca 0.05 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1x0h h LEU 74 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1x0h h LEU 74 CO -0.01 1.01 0.09 -0.61 0.09 0.00 0.00 178.44 179.01 1x0h h GLN 75 N 0.29 0.19 -0.23 1.13 4.15 -1.36 0.25 115.11 119.53 1x0h h GLN 75 Ca 0.03 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1x0h h GLN 75 Cb 0.86 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.50 1x0h h GLN 75 CO 0.07 0.14 -0.23 -0.92 -1.93 0.00 0.00 178.83 175.96 1x0h h TYR 76 N 0.20 0.68 0.12 3.99 3.20 -1.36 -3.32 116.97 120.47 1x0h h TYR 76 Ca 0.05 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1x0h h TYR 76 Cb -0.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1x0h h TYR 76 CO 0.00 0.90 -0.06 0.93 -1.64 0.00 0.00 178.16 178.29 1x0h h GLU 77 N 0.26 -0.15 0.00 1.82 5.08 -1.19 -3.49 114.58 116.91 1x0h h GLU 77 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1x0h h GLU 77 Cb 0.78 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1x0h h GLU 77 CO 0.06 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 1x0h n GLY 78 N 0.74 0.60 3.29 -3.84 0.00 0.82 -5.12 105.19 101.68 1x0h n GLY 78 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N -0.90 4.37 0.03 1.61 1.01 -0.85 -4.94 120.40 120.72 1x0h s VAL 79 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.52 1x0h s VAL 79 Cb 0.00 -3.63 -0.33 0.00 0.00 0.00 0.00 36.38 32.42 1x0h s VAL 79 CO 0.00 -0.47 1.03 0.00 0.00 0.00 0.00 175.10 175.65 1x0h h ALA 80 N 8.44 -0.10 -2.87 5.51 0.00 -1.95 -3.42 119.26 124.87 1x0h h ALA 80 Ca -0.24 -0.81 -0.60 0.00 0.00 0.00 0.00 54.91 53.27 1x0h h ALA 80 Cb 1.09 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1x0h h ALA 80 CO 0.76 0.65 -0.23 0.08 0.00 0.00 0.00 179.25 180.50 1x0h s VAL 81 N -2.73 5.17 -0.02 0.00 1.01 -1.26 -1.12 120.40 121.46 1x0h s VAL 81 Ca -0.10 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1x0h s VAL 81 Cb 0.04 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1x0h s VAL 81 CO 0.93 0.45 -0.07 -0.32 0.00 0.00 0.00 175.10 176.09 1x0h s MET 82 N -0.11 2.61 -0.41 2.72 1.75 0.19 -4.90 119.30 121.14 1x0h s MET 82 Ca 0.22 -0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 53.82 1x0h s MET 82 Cb -0.15 -2.52 0.02 0.00 2.84 0.00 0.00 34.83 35.02 1x0h s MET 82 CO 0.09 0.62 0.42 0.21 -0.65 0.00 0.00 175.02 175.71 1x0h s LYS 83 N -1.21 3.12 -0.09 4.11 2.20 -1.26 -2.41 119.74 124.20 1x0h s LYS 83 Ca 0.15 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1x0h s LYS 83 Cb -0.11 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1x0h s LYS 83 CO 0.05 -0.81 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.51 1x0h s LEU 84 N 2.07 1.98 -2.07 5.43 1.43 -0.94 -4.66 118.68 121.93 1x0h s LEU 84 Ca 0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1x0h s LEU 84 Cb -0.17 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1x0h s LEU 84 CO 0.13 0.14 0.00 0.49 0.23 0.00 0.00 176.35 177.34 1x0h n PHE 85 N 3.54 0.00 -3.92 0.29 3.72 -1.26 -2.32 117.46 117.51 1x0h n PHE 85 Ca -0.20 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 1x0h n PHE 85 Cb 0.53 -3.32 0.02 0.00 -0.94 0.00 0.00 39.48 35.77 1x0h n PHE 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1x0h n ASP 86 N -1.23 -4.31 0.00 4.37 2.03 -1.26 -4.66 116.55 111.49 1x0h n ASP 86 Ca -0.19 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1x0h n ASP 86 Cb 0.65 -3.80 0.00 0.00 -0.72 0.00 0.00 41.12 37.26 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x0h n ARG 87 N -4.63 0.00 -1.74 -0.67 1.74 -0.98 -5.01 116.66 105.38 1x0h n ARG 87 Ca 0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 1x0h n ARG 87 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h n ALA 88 N -1.29 2.69 -3.17 7.54 0.00 -1.06 -3.47 120.51 121.75 1x0h n ALA 88 Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 1x0h n ALA 88 Cb 0.00 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 16.82 1x0h n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x0h s LYS 89 N 0.08 3.47 0.16 0.00 1.02 0.84 -2.22 119.74 123.10 1x0h s LYS 89 Ca 0.68 -0.62 0.11 0.00 0.02 0.00 0.00 55.97 56.16 1x0h s LYS 89 Cb -0.50 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1x0h s LYS 89 CO 0.43 0.10 -0.24 0.08 -0.92 0.00 0.00 175.35 174.79 1x0h s VAL 90 N 0.70 2.37 -0.31 3.17 1.01 -1.01 -0.09 120.40 126.24 1x0h s VAL 90 Ca -0.04 -1.88 -0.21 0.00 0.00 0.00 0.00 61.98 59.86 1x0h s VAL 90 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1x0h s VAL 90 CO 0.02 -0.02 0.65 0.21 0.00 0.00 0.00 175.10 175.97 1x0h s ASN 91 N -2.39 6.52 0.43 3.32 2.47 0.24 0.56 114.94 126.09 1x0h s ASN 91 Ca 0.18 0.45 0.14 0.00 0.42 0.00 0.00 52.86 54.05 1x0h s ASN 91 Cb -0.09 -2.34 0.96 0.00 -1.45 0.00 0.00 41.25 38.32 1x0h s ASN 91 CO 0.08 -0.51 1.96 0.58 -3.72 0.00 0.00 177.10 175.50 1x0h h VAL 92 N 5.56 1.14 -0.23 -5.21 2.07 -1.37 0.97 116.25 119.18 1x0h h VAL 92 Ca -0.26 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1x0h h VAL 92 Cb 1.11 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1x0h h VAL 92 CO 0.82 0.22 -0.11 0.78 0.02 0.00 0.00 177.57 179.29 1x0h h ASN 93 N 0.00 0.35 0.00 0.57 4.21 -1.87 -2.99 115.58 115.85 1x0h h ASN 93 Ca -0.00 -0.08 -0.21 0.00 1.21 0.00 0.00 56.30 57.22 1x0h h ASN 93 Cb 0.39 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.46 1x0h h ASN 93 CO 0.03 0.50 -2.09 0.18 -1.29 0.00 0.00 177.43 174.75 1x0h n LEU 94 N -4.25 0.00 0.05 1.61 4.77 -0.89 -4.07 117.00 114.23 1x0h n LEU 94 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1x0h n LEU 94 Cb 0.29 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1x0h n LEU 94 CO 0.39 0.29 0.76 0.25 -1.33 0.00 0.00 177.39 177.75 1x0h h LEU 95 N 0.00 -0.44 -0.91 2.23 5.85 0.10 -1.31 115.31 120.84 1x0h h LEU 95 Ca -0.32 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 1x0h h LEU 95 Cb 1.67 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1x0h h LEU 95 CO 0.02 -0.21 -0.52 0.40 -0.34 0.00 0.00 178.44 177.79 1x0h h ILE 96 N -0.25 1.37 -0.17 4.05 2.04 -1.76 -2.81 117.51 119.98 1x0h h ILE 96 Ca 0.05 -1.79 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 1x0h h ILE 96 Cb 0.32 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1x0h h ILE 96 CO -0.15 0.52 -0.07 0.15 0.00 0.00 0.00 178.15 178.60 1x0h h PHE 97 N 0.05 0.27 0.02 1.37 3.57 -1.56 -0.64 116.94 120.01 1x0h h PHE 97 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1x0h h PHE 97 Cb 0.94 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1x0h h PHE 97 CO 0.00 0.34 -0.01 1.25 -2.23 0.00 0.00 178.31 177.67 1x0h h LEU 98 N 0.25 -0.02 -1.72 0.59 5.85 -1.06 -3.31 115.31 115.90 1x0h h LEU 98 Ca 0.06 -0.76 0.03 0.00 0.84 0.00 0.00 57.88 58.04 1x0h h LEU 98 Cb 0.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1x0h h LEU 98 CO 0.01 0.81 0.24 -0.07 -0.34 0.00 0.00 178.44 179.09 1x0h h LEU 99 N -0.90 0.32 -2.11 2.25 3.38 -1.42 0.39 115.31 117.21 1x0h h LEU 99 Ca -0.00 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1x0h h LEU 99 Cb 0.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1x0h h LEU 99 CO 0.00 0.22 0.25 -1.13 0.09 0.00 0.00 178.44 177.88 1x0h h ASN 100 N 0.38 0.00 0.00 -0.43 -0.73 -1.20 0.56 115.58 114.16 1x0h h ASN 100 Ca 0.14 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.16 1x0h h ASN 100 Cb 0.11 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1x0h h ASN 100 CO -0.03 0.00 -1.62 0.29 -0.37 0.00 0.00 177.43 175.70 1x0h n LYS 101 N -4.05 2.29 0.00 6.67 5.02 -0.46 -4.26 118.16 123.37 1x0h n LYS 101 Ca 0.04 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1x0h n LYS 101 Cb 0.40 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x0h n LYS 102 N -2.30 0.00 -0.08 1.97 4.76 0.13 -4.65 118.16 117.98 1x0h n LYS 102 Ca -0.14 0.24 -0.16 0.00 -2.87 0.00 0.00 58.31 55.38 1x0h n LYS 102 Cb 0.75 -0.93 -0.12 0.00 -1.84 0.00 0.00 35.03 32.90 1x0h n LYS 102 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1x0h h PHE 103 N 0.00 0.00 -0.49 2.13 0.04 -1.57 -3.43 116.94 113.61 1x0h h PHE 103 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1x0h h PHE 103 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1x0h h PHE 103 CO 0.04 1.13 0.62 0.98 -0.60 0.00 0.00 178.31 180.48 1x0h n TYR 104 N -4.55 1.03 -2.66 -0.55 4.19 0.19 -4.44 117.16 110.37 1x0h n TYR 104 Ca -0.18 0.02 -0.03 0.00 3.31 0.00 0.00 57.90 61.02 1x0h n TYR 104 Cb 0.53 -2.33 0.04 0.00 0.49 0.00 0.00 39.34 38.08 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1x0h n GLY 105 N 6.49 -1.14 0.17 2.98 0.00 -1.26 -4.15 105.19 108.27 1x0h n GLY 105 Ca 0.49 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.75 1x0h n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x0h h LYS 106 N 1.56 -0.32 0.04 1.61 1.57 -1.99 -3.36 116.57 115.68 1x0h h LYS 106 Ca -0.48 0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 57.95 1x0h h LYS 106 Cb 1.23 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 1x0h h LYS 106 CO -0.13 -0.09 -2.13 -1.13 -0.57 0.00 0.00 179.45 175.41 1x0h n SER 107 N -5.15 2.01 -0.98 0.86 3.41 -1.26 -5.11 113.62 107.39 1x0h n SER 107 Ca -0.09 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1x0h n SER 107 Cb 0.21 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x0h n GLY 108 N 1.85 -4.17 3.74 5.00 0.00 -1.26 -5.00 105.19 105.36 1x0h n GLY 108 Ca -0.41 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1x0h n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x0h s PRO 109 N -3.47 0.36 0.19 1.61 0.04 -1.26 -5.10 135.00 127.38 1x0h s PRO 109 Ca 0.00 0.15 -0.22 0.00 0.04 0.00 0.00 61.00 60.97 1x0h s PRO 109 Cb 0.00 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.83 1x0h s PRO 109 CO 0.00 -2.70 0.63 -1.12 0.04 0.00 0.00 177.00 173.85 1x0h s SER 110 N -4.00 -0.46 0.44 6.66 0.01 -1.26 -5.15 113.70 109.93 1x0h s SER 110 Ca 0.67 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1x0h s SER 110 Cb -0.13 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x0h s SER 110 CO 0.55 -1.08 0.00 -0.24 0.41 0.00 0.00 173.24 172.88 1x0h n SER 111 N -0.40 -8.51 0.00 2.44 2.88 -1.26 -5.35 113.62 103.42 1x0h n SER 111 Ca -0.13 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1x0h n SER 111 Cb 0.63 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 1x0h n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42