#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 -0.00 -3.24 1.61 2.88 -1.26 -5.08 113.62 108.54 1x0h n SER 2 Ca 0.00 0.06 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1x0h n SER 2 Cb 0.00 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 1x0h n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x0h s SER 3 N -5.02 -0.58 0.58 -3.46 0.15 -1.26 -5.16 113.70 98.95 1x0h s SER 3 Ca 0.00 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.78 1x0h s SER 3 Cb 0.00 1.59 0.07 0.00 -1.71 0.00 0.00 66.02 65.97 1x0h s SER 3 CO 0.00 -0.31 0.46 0.61 1.20 0.00 0.00 173.24 175.20 1x0h n GLY 4 N 5.39 0.55 1.09 9.45 0.00 -1.26 -5.07 105.19 115.34 1x0h n GLY 4 Ca 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1x0h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x0h n SER 5 N -2.99 0.50 -4.31 1.61 7.64 -1.26 -4.98 113.62 109.83 1x0h n SER 5 Ca 0.07 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.49 1x0h n SER 5 Cb 0.27 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1x0h n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x0h s SER 6 N -4.48 6.58 0.00 6.43 1.04 -1.26 -4.64 113.70 117.38 1x0h s SER 6 Ca 0.00 -2.57 0.00 0.00 0.48 0.00 0.00 55.95 53.86 1x0h s SER 6 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1x0h s SER 6 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1x0h n GLY 7 N 4.12 1.09 3.67 7.32 0.00 -1.26 -5.11 105.19 115.01 1x0h n GLY 7 Ca 0.09 0.40 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 2.28 2.93 0.60 -0.61 -5.25 -1.26 -4.66 121.20 115.22 1x0h s ILE 8 Ca 0.00 0.03 0.00 0.00 -0.99 0.00 0.00 60.65 59.69 1x0h s ILE 8 Cb 0.00 -3.02 0.00 0.00 2.95 0.00 0.00 42.46 42.39 1x0h s ILE 8 CO 0.00 -0.00 0.00 -1.20 -1.79 0.00 0.00 174.94 171.95 1x0h n SER 9 N 7.20 -7.88 -4.65 4.36 7.64 -1.26 -4.83 113.62 114.21 1x0h n SER 9 Ca 0.20 1.38 -0.36 0.00 1.01 0.00 0.00 58.87 61.10 1x0h n SER 9 Cb 0.41 -4.87 -0.10 0.00 -1.01 0.00 0.00 64.21 58.64 1x0h n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x0h s LEU 10 N -7.22 4.00 -0.41 -3.43 1.43 -1.10 -4.96 118.68 107.00 1x0h s LEU 10 Ca 0.00 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1x0h s LEU 10 Cb 0.00 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.23 1x0h s LEU 10 CO 0.00 0.10 0.26 -0.54 0.23 0.00 0.00 176.35 176.40 1x0h s LYS 11 N 0.81 2.72 -0.01 1.70 -0.14 -1.26 -3.13 119.74 120.43 1x0h s LYS 11 Ca 0.06 -1.32 0.01 0.00 -1.36 0.00 0.00 55.97 53.36 1x0h s LYS 11 Cb -0.13 -3.80 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 1x0h s LYS 11 CO 0.02 -0.88 -0.02 0.71 -0.76 0.00 0.00 175.35 174.43 1x0h s TYR 12 N 1.49 0.24 0.46 3.18 2.02 -1.07 -5.03 117.35 118.65 1x0h s TYR 12 Ca 0.03 -0.03 -0.00 0.00 -0.37 0.00 0.00 57.07 56.70 1x0h s TYR 12 Cb -0.22 -0.21 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 1x0h s TYR 12 CO 0.04 -0.04 0.69 0.95 -1.57 0.00 0.00 175.55 175.63 1x0h s THR 13 N 0.24 3.98 0.50 -0.71 -4.23 -1.26 -0.05 115.64 114.11 1x0h s THR 13 Ca -0.02 -0.44 0.15 0.00 -1.18 0.00 0.00 61.69 60.20 1x0h s THR 13 Cb -0.04 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.59 1x0h s THR 13 CO -0.01 -0.36 2.12 0.00 -0.54 0.00 0.00 174.62 175.84 1x0h h ALA 14 N 0.35 1.98 -0.30 3.99 0.00 -1.36 -2.27 119.26 121.65 1x0h h ALA 14 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x0h h ALA 14 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x0h h ALA 14 CO 0.58 -0.00 0.17 0.00 0.00 0.00 0.00 179.25 180.00 1x0h h ALA 15 N 1.93 0.39 0.34 0.00 0.00 -1.81 0.11 119.26 120.22 1x0h h ALA 15 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1x0h h ALA 15 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x0h h ALA 15 CO -0.01 -0.09 -0.16 0.00 0.00 0.00 0.00 179.25 178.99 1x0h h ARG 16 N 0.38 -0.44 -0.16 0.00 2.47 -1.76 0.35 114.38 115.22 1x0h h ARG 16 Ca 0.11 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1x0h h ARG 16 Cb 0.04 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1x0h h ARG 16 CO -0.02 -0.20 0.11 -0.07 0.56 0.00 0.00 179.97 180.35 1x0h h LEU 17 N -0.59 0.15 -0.17 3.04 3.38 -1.44 0.16 115.31 119.83 1x0h h LEU 17 Ca -0.05 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1x0h h LEU 17 Cb 0.43 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1x0h h LEU 17 CO 0.08 0.11 -0.81 -0.74 0.09 0.00 0.00 178.44 177.16 1x0h h HIS 18 N 0.18 0.99 -0.01 1.13 2.76 -0.49 0.10 115.15 119.81 1x0h h HIS 18 Ca 0.06 -0.45 -0.17 0.00 -2.20 0.00 0.00 60.37 57.61 1x0h h HIS 18 Cb 0.04 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1x0h h HIS 18 CO -0.00 1.28 -0.75 0.93 -1.30 0.00 0.00 177.93 178.09 1x0h h GLU 19 N 0.48 0.12 -0.02 5.26 4.39 -0.11 -3.14 114.58 121.56 1x0h h GLU 19 Ca -0.06 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 1x0h h GLU 19 Cb 1.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 1x0h h GLU 19 CO 0.16 0.81 -0.66 0.87 -1.16 0.00 0.00 179.01 179.03 1x0h h LYS 20 N 0.07 0.09 0.00 2.33 1.57 -0.73 -3.47 116.57 116.43 1x0h h LYS 20 Ca -0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1x0h h LYS 20 Cb 1.33 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1x0h h LYS 20 CO 0.11 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 180.12 1x0h n GLY 21 N 0.38 1.67 0.17 3.86 0.00 -0.89 -5.01 105.19 105.37 1x0h n GLY 21 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.79 1.61 2.07 -1.48 -3.43 116.25 111.23 1x0h h VAL 22 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1x0h h VAL 22 Cb 0.00 0.00 0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1x0h h VAL 22 CO 0.00 0.00 0.60 -0.22 0.02 0.00 0.00 177.57 177.97 1x0h s LEU 23 N -6.18 4.46 -0.05 2.57 2.96 0.22 0.52 118.68 123.18 1x0h s LEU 23 Ca -0.06 2.54 -0.06 0.00 -0.22 0.00 0.00 54.13 56.33 1x0h s LEU 23 Cb 0.01 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1x0h s LEU 23 CO 0.19 -0.43 -0.11 0.18 -1.32 0.00 0.00 176.35 174.87 1x0h n LEU 24 N 1.16 0.65 -3.86 -0.68 4.77 -0.55 -4.30 117.00 114.20 1x0h n LEU 24 Ca 0.01 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1x0h n LEU 24 Cb 0.43 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1x0h n LEU 24 CO 0.58 -0.44 0.47 -1.61 -1.33 0.00 0.00 177.39 175.06 1x0h s GLU 25 N -1.63 1.83 -0.08 3.23 2.02 -1.20 -5.03 118.70 117.83 1x0h s GLU 25 Ca -0.09 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.88 1x0h s GLU 25 Cb 0.01 0.61 0.02 0.00 0.10 0.00 0.00 34.13 34.87 1x0h s GLU 25 CO 0.14 -0.84 -0.11 0.42 0.02 0.00 0.00 175.26 174.88 1x0h s ILE 26 N -3.77 1.12 -1.53 -1.63 1.01 -1.26 -1.55 121.20 113.58 1x0h s ILE 26 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 1x0h s ILE 26 Cb -0.06 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1x0h s ILE 26 CO 0.07 0.36 2.69 -0.62 0.00 0.00 0.00 174.94 177.45 1x0h n GLU 27 N 4.10 3.72 0.06 2.79 -0.58 -1.11 -3.86 120.64 125.76 1x0h n GLU 27 Ca -0.20 -2.55 0.00 0.00 -0.42 0.00 0.00 57.16 53.98 1x0h n GLU 27 Cb 0.51 -2.86 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 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 3.69 -1.14 -4.97 1.62 2.03 -1.26 -4.90 116.55 111.62 1x0h n ASP 28 Ca 0.70 0.53 -0.23 0.00 0.52 0.00 0.00 54.79 56.31 1x0h n ASP 28 Cb 0.27 1.37 0.03 0.00 -0.72 0.00 0.00 41.12 42.06 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x0h s LEU 29 N -5.97 2.94 0.42 -2.67 1.43 -1.25 -5.14 118.68 108.44 1x0h s LEU 29 Ca 0.00 -1.02 0.08 0.00 -1.03 0.00 0.00 54.13 52.16 1x0h s LEU 29 Cb 0.00 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1x0h s LEU 29 CO 0.00 -1.19 0.43 -1.10 0.23 0.00 0.00 176.35 174.73 1x0h s GLN 30 N -4.46 2.63 0.52 1.70 -0.21 -1.26 -4.60 119.66 113.98 1x0h s GLN 30 Ca 0.48 -1.44 0.20 0.00 0.02 0.00 0.00 55.36 54.62 1x0h s GLN 30 Cb -0.04 -2.49 1.31 0.00 1.00 0.00 0.00 33.01 32.79 1x0h s GLN 30 CO 0.30 -0.21 2.08 0.28 -2.12 0.00 0.00 175.29 175.63 1x0h h VAL 31 N 0.92 0.89 0.00 1.09 2.07 -2.00 0.06 116.25 119.28 1x0h h VAL 31 Ca -0.41 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1x0h h VAL 31 Cb 1.27 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1x0h h VAL 31 CO 0.54 0.00 -0.47 -0.55 0.02 0.00 0.00 177.57 177.11 1x0h h ASN 32 N 0.01 0.00 1.00 0.57 -1.07 -2.04 -2.73 115.58 111.32 1x0h h ASN 32 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1x0h h ASN 32 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1x0h h ASN 32 CO -0.00 0.47 -0.13 0.00 0.07 0.00 0.00 177.43 177.84 1x0h n GLN 33 N -3.76 0.07 -0.11 4.14 6.02 -0.02 -3.79 117.38 119.93 1x0h n GLN 33 Ca -0.01 0.05 0.26 0.00 -0.01 0.00 0.00 57.00 57.28 1x0h n GLN 33 Cb 0.53 -1.57 0.71 0.00 1.02 0.00 0.00 30.24 30.93 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 0.00 -0.05 1.08 -1.00 -1.20 0.36 116.94 116.13 1x0h h PHE 34 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1x0h h PHE 34 Cb 0.56 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1x0h h PHE 34 CO 0.00 0.00 -0.41 0.87 -1.61 0.00 0.00 178.31 177.16 1x0h h LYS 35 N 0.00 0.10 -0.18 1.51 1.57 -1.78 -2.92 116.57 114.88 1x0h h LYS 35 Ca 0.36 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 1x0h h LYS 35 Cb 1.46 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.77 1x0h h LYS 35 CO -0.00 0.50 -0.61 -0.91 -0.57 0.00 0.00 179.45 177.85 1x0h h ASN 36 N 0.09 0.84 -3.85 0.86 2.35 -0.55 -3.45 115.58 111.87 1x0h h ASN 36 Ca 0.01 -0.60 -0.50 0.00 -0.55 0.00 0.00 56.30 54.65 1x0h h ASN 36 Cb 0.76 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 38.91 1x0h h ASN 36 CO 0.06 1.30 0.48 -0.69 -1.65 0.00 0.00 177.43 176.93 1x0h s VAL 37 N -3.85 3.43 -0.02 2.81 1.01 -1.04 -5.04 120.40 117.70 1x0h s VAL 37 Ca -0.11 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1x0h s VAL 37 Cb 0.08 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1x0h s VAL 37 CO 0.87 0.27 -0.09 -0.51 0.00 0.00 0.00 175.10 175.64 1x0h s ILE 38 N -1.26 0.73 -0.19 2.22 2.07 -1.26 -2.84 121.20 120.67 1x0h s ILE 38 Ca 0.48 -0.35 -0.04 0.00 -1.41 0.00 0.00 60.65 59.33 1x0h s ILE 38 Cb -0.31 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 1x0h s ILE 38 CO 0.40 0.23 -0.02 -0.36 -1.91 0.00 0.00 174.94 173.28 1x0h s PHE 39 N 0.12 3.02 -0.32 3.50 0.08 0.93 -3.51 117.98 121.80 1x0h s PHE 39 Ca -0.02 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 1x0h s PHE 39 Cb -0.07 -2.05 0.07 0.00 -0.57 0.00 0.00 43.02 40.39 1x0h s PHE 39 CO 0.00 -0.22 0.03 -2.00 -0.10 0.00 0.00 175.22 172.93 1x0h s GLU 40 N 0.88 2.25 -0.33 0.44 2.12 -1.03 -2.58 118.70 120.45 1x0h s GLU 40 Ca 0.00 -1.43 -0.11 0.00 0.36 0.00 0.00 54.97 53.79 1x0h s GLU 40 Cb -0.14 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1x0h s GLU 40 CO 0.02 -0.72 0.19 0.42 -0.54 0.00 0.00 175.26 174.62 1x0h s ILE 41 N 1.18 4.87 -0.26 -3.70 1.01 -1.18 -1.00 121.20 122.13 1x0h s ILE 41 Ca -0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 1x0h s ILE 41 Cb -0.20 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1x0h s ILE 41 CO -0.03 0.02 0.27 -0.44 0.00 0.00 0.00 174.94 174.76 1x0h s SER 42 N 1.65 6.17 0.19 3.58 0.01 0.19 -2.69 113.70 122.80 1x0h s SER 42 Ca 0.05 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1x0h s SER 42 Cb -0.17 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1x0h s SER 42 CO 0.08 -0.07 1.19 -2.16 0.41 0.00 0.00 173.24 172.69 1x0h s PRO 43 N 1.61 4.50 0.83 12.44 0.04 -1.26 -2.45 135.00 150.71 1x0h s PRO 43 Ca 0.11 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 1x0h s PRO 43 Cb -0.15 -3.24 0.15 0.00 0.04 0.00 0.00 34.50 31.29 1x0h s PRO 43 CO 0.09 -0.07 1.15 0.95 0.04 0.00 0.00 177.00 179.16 1x0h s THR 44 N -0.09 2.09 0.10 1.26 -4.23 -1.26 -4.94 115.64 108.57 1x0h s THR 44 Ca 0.52 -0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1x0h s THR 44 Cb -0.32 -2.83 -0.23 0.00 1.34 0.00 0.00 72.50 70.45 1x0h s THR 44 CO 0.37 0.00 1.22 -0.08 -0.54 0.00 0.00 174.62 175.58 1x0h h GLU 45 N -1.06 0.08 0.00 3.99 4.81 -1.96 -3.46 114.58 116.98 1x0h h GLU 45 Ca -0.41 -0.14 -0.43 0.00 -0.13 0.00 0.00 59.36 58.25 1x0h h GLU 45 Cb 1.26 0.05 0.09 0.00 0.63 0.00 0.00 28.75 30.79 1x0h h GLU 45 CO 0.43 1.05 0.16 0.39 -0.73 0.00 0.00 179.01 180.31 1x0h n GLU 46 N -3.40 -0.26 -4.22 1.92 4.71 -1.26 -5.11 120.64 113.02 1x0h n GLU 46 Ca -0.03 -2.44 -0.27 0.00 -0.01 0.00 0.00 57.16 54.41 1x0h n GLU 46 Cb 0.97 -0.73 -0.08 0.00 -1.01 0.00 0.00 31.44 30.58 1x0h n GLU 46 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1x0h s VAL 47 N -3.02 3.57 0.00 2.62 0.11 -1.26 -4.68 120.40 117.74 1x0h s VAL 47 Ca 0.63 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1x0h s VAL 47 Cb -0.03 -2.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 1x0h s VAL 47 CO 0.43 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1x0h n GLY 48 N 0.04 2.54 3.80 6.54 0.00 -1.26 -4.99 105.19 111.87 1x0h n GLY 48 Ca -0.10 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1x0h n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0h s ASP 49 N 0.00 7.02 0.09 1.61 -1.08 -1.26 -3.06 116.67 119.99 1x0h s ASP 49 Ca 0.00 1.22 0.07 0.00 -0.52 0.00 0.00 52.55 53.32 1x0h s ASP 49 Cb 0.00 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 39.08 1x0h s ASP 49 CO 0.00 0.25 -0.18 -0.36 0.52 0.00 0.00 175.17 175.40 1x0h s PHE 50 N -0.95 1.59 -0.35 -5.34 0.08 -0.76 -4.50 117.98 107.76 1x0h s PHE 50 Ca 0.29 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 56.83 1x0h s PHE 50 Cb -0.19 -0.88 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1x0h s PHE 50 CO 0.18 0.16 0.13 -2.00 -0.10 0.00 0.00 175.22 173.59 1x0h s GLU 51 N -1.89 2.64 -0.13 0.44 2.56 -1.02 -1.57 118.70 119.73 1x0h s GLU 51 Ca 0.04 -1.18 -0.01 0.00 0.00 0.00 0.00 54.97 53.81 1x0h s GLU 51 Cb -0.10 -3.52 -0.02 0.00 2.00 0.00 0.00 34.13 32.49 1x0h s GLU 51 CO 0.04 -0.69 -0.09 0.08 -0.56 0.00 0.00 175.26 174.04 1x0h s VAL 52 N 1.42 3.45 0.10 3.70 1.01 -0.66 0.54 120.40 129.96 1x0h s VAL 52 Ca -0.01 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1x0h s VAL 52 Cb -0.20 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1x0h s VAL 52 CO 0.03 0.52 -0.22 -0.75 0.00 0.00 0.00 175.10 174.69 1x0h s LYS 53 N 0.21 1.22 -0.21 2.72 2.20 -0.17 -2.37 119.74 123.34 1x0h s LYS 53 Ca -0.05 -1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 54.39 1x0h s LYS 53 Cb -0.15 -1.49 0.02 0.00 -1.51 0.00 0.00 37.83 34.70 1x0h s LYS 53 CO 0.04 0.35 -0.12 0.00 -0.36 0.00 0.00 175.35 175.26 1x0h s ALA 54 N -1.09 2.55 -0.57 3.13 0.00 -1.26 -2.45 121.76 122.07 1x0h s ALA 54 Ca 0.08 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 1x0h s ALA 54 Cb -0.10 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 1x0h s ALA 54 CO 0.04 -0.52 1.63 0.15 0.00 0.00 0.00 175.76 177.06 1x0h s LYS 55 N 1.34 3.02 0.04 0.00 -0.14 -1.23 -4.19 119.74 118.59 1x0h s LYS 55 Ca 0.03 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 1x0h s LYS 55 Cb -0.14 -4.24 0.00 0.00 -1.68 0.00 0.00 37.83 31.76 1x0h s LYS 55 CO -0.08 -2.27 0.00 1.19 -0.76 0.00 0.00 175.35 173.43 1x0h n PHE 56 N 10.92 -1.65 -3.20 3.18 3.72 -1.26 -4.70 117.46 124.46 1x0h n PHE 56 Ca 0.16 0.15 -0.23 0.00 -0.05 0.00 0.00 57.45 57.48 1x0h n PHE 56 Cb 0.50 0.62 -0.06 0.00 -0.94 0.00 0.00 39.48 39.59 1x0h n PHE 56 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1x0h n MET 57 N -2.36 0.93 -0.76 -1.08 1.56 -1.26 -4.92 117.12 109.23 1x0h n MET 57 Ca 0.00 -3.38 -0.01 0.00 -0.27 0.00 0.00 57.70 54.04 1x0h n MET 57 Cb 0.00 -1.39 0.20 0.00 2.15 0.00 0.00 33.22 34.18 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1x0h n GLY 58 N 1.15 5.05 0.07 -5.12 0.00 -1.26 -4.58 105.19 100.50 1x0h n GLY 58 Ca 0.23 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1x0h n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0h h VAL 59 N 1.02 1.66 -0.14 1.61 2.07 -1.97 -3.36 116.25 117.15 1x0h h VAL 59 Ca 0.14 -3.35 -0.18 0.00 0.82 0.00 0.00 66.70 64.13 1x0h h VAL 59 Cb 1.38 2.86 -0.31 0.00 -1.52 0.00 0.00 31.29 33.71 1x0h h VAL 59 CO 0.24 0.96 -0.92 0.00 0.02 0.00 0.00 177.57 177.87 1x0h n GLN 60 N -3.38 0.95 -4.21 1.57 10.64 -1.26 -5.08 117.38 116.61 1x0h n GLN 60 Ca -0.02 -2.74 -0.15 0.00 -1.83 0.00 0.00 57.00 52.26 1x0h n GLN 60 Cb 0.96 -0.83 -0.11 0.00 -0.86 0.00 0.00 30.24 29.40 1x0h n GLN 60 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1x0h s MET 61 N -1.70 0.93 0.61 2.61 1.75 -1.26 -5.16 119.30 117.09 1x0h s MET 61 Ca 0.35 -1.24 -0.03 0.00 -1.25 0.00 0.00 55.69 53.52 1x0h s MET 61 Cb 0.37 -0.63 0.04 0.00 2.84 0.00 0.00 34.83 37.45 1x0h s MET 61 CO -0.11 0.10 0.88 -2.00 -0.65 0.00 0.00 175.02 173.24 1x0h s GLU 62 N -2.98 2.47 -0.12 4.11 2.12 -1.26 -4.90 118.70 118.14 1x0h s GLU 62 Ca 0.09 -0.46 -0.24 0.00 0.36 0.00 0.00 54.97 54.72 1x0h s GLU 62 Cb -0.02 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 1x0h s GLU 62 CO 0.01 -0.91 0.74 0.99 -0.54 0.00 0.00 175.26 175.55 1x0h s THR 63 N -2.98 4.98 0.16 -1.70 2.01 -1.26 -5.01 115.64 111.85 1x0h s THR 63 Ca 0.58 1.47 -0.32 0.00 0.31 0.00 0.00 61.69 63.73 1x0h s THR 63 Cb -0.10 -4.06 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 1x0h s THR 63 CO 0.42 0.15 1.66 0.12 -0.69 0.00 0.00 174.62 176.28 1x0h s PHE 64 N 1.43 2.82 -0.47 4.92 5.36 -1.00 -4.86 117.98 126.18 1x0h s PHE 64 Ca 0.37 0.42 -0.15 0.00 -0.96 0.00 0.00 56.93 56.60 1x0h s PHE 64 Cb -0.17 -4.03 0.07 0.00 -0.34 0.00 0.00 43.02 38.55 1x0h s PHE 64 CO 0.15 -3.94 0.39 1.41 -1.46 0.00 0.00 175.22 171.77 1x0h s MET 65 N 1.54 2.97 -0.25 10.12 1.75 -1.26 -1.65 119.30 132.51 1x0h s MET 65 Ca 0.73 -1.35 -0.26 0.00 -1.25 0.00 0.00 55.69 53.56 1x0h s MET 65 Cb -0.45 -4.12 0.00 0.00 2.84 0.00 0.00 34.83 33.10 1x0h s MET 65 CO 0.32 -1.02 0.90 -1.17 -0.65 0.00 0.00 175.02 173.40 1x0h s LEU 66 N 1.64 4.08 0.45 4.11 2.96 -0.61 -4.92 118.68 126.38 1x0h s LEU 66 Ca 0.04 1.09 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1x0h s LEU 66 Cb -0.24 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1x0h s LEU 66 CO 0.07 -0.59 0.79 -1.00 -1.32 0.00 0.00 176.35 174.29 1x0h s HIS 67 N 3.01 3.52 -0.08 5.38 3.76 -1.26 -1.82 115.29 127.80 1x0h s HIS 67 Ca 0.38 0.97 -0.16 0.00 -0.15 0.00 0.00 55.06 56.09 1x0h s HIS 67 Cb -0.15 -2.40 -0.29 0.00 1.11 0.00 0.00 32.58 30.85 1x0h s HIS 67 CO 0.08 -0.22 0.67 -0.92 -0.85 0.00 0.00 174.74 173.50 1x0h h TYR 68 N 0.72 0.54 -0.89 1.40 3.20 -1.95 -3.28 116.97 116.71 1x0h h TYR 68 Ca -0.47 -0.39 0.01 0.00 3.14 0.00 0.00 58.73 61.02 1x0h h TYR 68 Cb 1.19 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 1x0h h TYR 68 CO 0.60 1.52 0.58 1.96 -1.64 0.00 0.00 178.16 181.18 1x0h h GLN 69 N -0.24 1.18 -0.72 1.82 1.08 -1.95 -1.97 115.11 114.31 1x0h h GLN 69 Ca -0.27 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1x0h h GLN 69 Cb 1.81 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 28.94 1x0h h GLN 69 CO 0.11 0.78 0.46 -0.44 -0.95 0.00 0.00 178.83 178.79 1x0h h ASP 70 N 1.21 0.83 0.10 1.46 5.19 -1.99 0.86 116.42 124.07 1x0h h ASP 70 Ca 0.32 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1x0h h ASP 70 Cb -0.13 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.17 1x0h h ASP 70 CO -0.07 0.61 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.55 1x0h h LEU 71 N 0.97 -0.11 -1.58 1.55 3.38 -1.44 -3.06 115.31 115.02 1x0h h LEU 71 Ca 0.26 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1x0h h LEU 71 Cb -0.09 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1x0h h LEU 71 CO -0.05 0.26 -0.13 -0.07 0.09 0.00 0.00 178.44 178.53 1x0h h LEU 72 N -0.50 0.09 -1.83 1.67 3.38 -1.16 -2.12 115.31 114.85 1x0h h LEU 72 Ca -0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 72 Cb 0.41 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1x0h h LEU 72 CO 0.02 0.24 0.13 -0.61 0.09 0.00 0.00 178.44 178.32 1x0h h GLN 73 N 0.10 0.23 -0.11 1.13 4.15 -0.73 -1.87 115.11 118.00 1x0h h GLN 73 Ca 0.02 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 1x0h h GLN 73 Cb 0.30 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1x0h h GLN 73 CO 0.02 0.15 -0.27 -0.07 -1.93 0.00 0.00 178.83 176.74 1x0h h LEU 74 N 0.24 0.43 -1.52 -2.39 3.38 -1.32 -2.59 115.31 111.54 1x0h h LEU 74 Ca 0.07 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1x0h h LEU 74 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1x0h h LEU 74 CO -0.02 0.93 0.27 1.56 0.09 0.00 0.00 178.44 181.28 1x0h h GLN 75 N -0.06 0.60 -0.10 1.13 4.20 -1.41 0.52 115.11 119.99 1x0h h GLN 75 Ca -0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1x0h h GLN 75 Cb 0.87 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1x0h h GLN 75 CO 0.06 0.41 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.66 1x0h h TYR 76 N 0.61 0.24 -0.32 2.96 5.03 -1.33 -3.25 116.97 120.92 1x0h h TYR 76 Ca 0.16 -0.06 -0.15 0.00 2.58 0.00 0.00 58.73 61.26 1x0h h TYR 76 Cb -0.03 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1x0h h TYR 76 CO 0.00 0.57 -0.39 0.93 -1.32 0.00 0.00 178.16 177.95 1x0h h GLU 77 N -0.16 0.83 0.00 1.82 4.39 -1.10 -3.48 114.58 116.88 1x0h h GLU 77 Ca 0.02 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1x0h h GLU 77 Cb 0.51 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1x0h h GLU 77 CO 0.02 1.10 0.00 0.41 -1.16 0.00 0.00 179.01 179.38 1x0h n GLY 78 N 0.23 1.13 2.96 -3.84 0.00 0.15 -5.10 105.19 100.72 1x0h n GLY 78 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.90 0.34 1.61 1.01 0.70 -4.92 120.40 120.04 1x0h s VAL 79 Ca 0.00 -3.57 0.11 0.00 0.00 0.00 0.00 61.98 58.52 1x0h s VAL 79 Cb 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.49 1x0h s VAL 79 CO 0.00 -0.88 1.76 0.00 0.00 0.00 0.00 175.10 175.98 1x0h h ALA 80 N 6.24 1.25 -2.75 5.51 0.00 -1.95 -3.39 119.26 124.16 1x0h h ALA 80 Ca -0.00 -0.39 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 1x0h h ALA 80 Cb 0.86 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1x0h h ALA 80 CO 0.71 0.55 -0.01 0.08 0.00 0.00 0.00 179.25 180.57 1x0h s VAL 81 N -4.08 4.94 0.16 0.00 1.01 -1.26 0.52 120.40 121.68 1x0h s VAL 81 Ca -0.03 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.30 1x0h s VAL 81 Cb 0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1x0h s VAL 81 CO 0.74 0.40 -0.21 -0.32 0.00 0.00 0.00 175.10 175.72 1x0h s MET 82 N -0.07 1.65 -0.35 2.72 1.75 -0.41 -4.91 119.30 119.68 1x0h s MET 82 Ca 0.31 -1.36 -0.08 0.00 -1.25 0.00 0.00 55.69 53.32 1x0h s MET 82 Cb -0.18 -1.98 0.03 0.00 2.84 0.00 0.00 34.83 35.55 1x0h s MET 82 CO 0.17 0.44 0.13 0.21 -0.65 0.00 0.00 175.02 175.32 1x0h s LYS 83 N -2.43 2.72 -0.26 4.11 2.47 -1.26 -2.94 119.74 122.14 1x0h s LYS 83 Ca 0.19 -1.13 -0.07 0.00 -1.56 0.00 0.00 55.97 53.41 1x0h s LYS 83 Cb -0.09 -3.54 -0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1x0h s LYS 83 CO 0.10 -0.66 0.06 -0.51 0.16 0.00 0.00 175.35 174.50 1x0h s LEU 84 N 1.45 3.48 -1.91 5.43 1.43 0.11 -4.46 118.68 124.22 1x0h s LEU 84 Ca -0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1x0h s LEU 84 Cb -0.19 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1x0h s LEU 84 CO 0.04 -0.07 0.00 0.49 0.23 0.00 0.00 176.35 177.04 1x0h n PHE 85 N 4.90 -0.47 -3.00 0.29 3.72 -1.26 -1.75 117.46 119.89 1x0h n PHE 85 Ca -0.16 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.03 1x0h n PHE 85 Cb 0.50 -3.59 0.01 0.00 -0.94 0.00 0.00 39.48 35.47 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 -1.50 -5.11 0.00 4.37 2.03 -1.26 -4.70 116.55 110.37 1x0h n ASP 86 Ca -0.22 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 54.86 1x0h n ASP 86 Cb 0.67 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.88 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 -3.70 0.00 -2.01 -0.67 1.74 -0.78 -4.95 116.66 106.29 1x0h n ARG 87 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1x0h n ARG 87 Cb 0.60 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.01 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h s ALA 88 N -1.38 3.70 -0.11 7.54 0.00 -0.72 -2.73 121.76 128.05 1x0h s ALA 88 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1x0h s ALA 88 Cb 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 1x0h s ALA 88 CO 0.00 -0.73 -0.22 0.15 0.00 0.00 0.00 175.76 174.96 1x0h s LYS 89 N 0.76 3.10 0.19 0.00 1.02 -0.60 0.08 119.74 124.29 1x0h s LYS 89 Ca 0.66 -0.85 0.10 0.00 0.02 0.00 0.00 55.97 55.90 1x0h s LYS 89 Cb -0.42 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1x0h s LYS 89 CO 0.34 0.15 -0.21 0.08 -0.92 0.00 0.00 175.35 174.79 1x0h s VAL 90 N 0.43 2.08 -0.26 3.17 1.01 -1.15 -1.48 120.40 124.20 1x0h s VAL 90 Ca -0.16 -2.01 -0.24 0.00 0.00 0.00 0.00 61.98 59.57 1x0h s VAL 90 Cb -0.17 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1x0h s VAL 90 CO 0.07 -0.25 0.82 0.21 0.00 0.00 0.00 175.10 175.95 1x0h s ASN 91 N -2.75 6.80 0.33 3.32 2.47 0.18 -1.29 114.94 123.99 1x0h s ASN 91 Ca 0.19 0.96 0.10 0.00 0.42 0.00 0.00 52.86 54.53 1x0h s ASN 91 Cb -0.06 -2.43 0.57 0.00 -1.45 0.00 0.00 41.25 37.87 1x0h s ASN 91 CO 0.09 -0.54 1.75 0.58 -3.72 0.00 0.00 177.10 175.26 1x0h h VAL 92 N 5.47 1.31 -0.03 -5.21 2.07 -0.22 0.85 116.25 120.48 1x0h h VAL 92 Ca -0.23 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1x0h h VAL 92 Cb 1.09 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1x0h h VAL 92 CO 0.88 0.43 -0.15 0.78 0.02 0.00 0.00 177.57 179.53 1x0h h ASN 93 N 0.08 0.05 0.00 0.57 2.35 -1.91 -2.76 115.58 113.95 1x0h h ASN 93 Ca 0.01 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 1x0h h ASN 93 Cb 0.78 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1x0h h ASN 93 CO 0.06 0.20 -1.99 0.18 -1.65 0.00 0.00 177.43 174.23 1x0h n LEU 94 N -4.34 0.00 -0.36 1.61 4.77 -1.04 -4.15 117.00 113.49 1x0h n LEU 94 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1x0h n LEU 94 Cb 0.23 0.32 0.17 0.00 -2.33 0.00 0.00 43.42 41.82 1x0h n LEU 94 CO 0.36 0.32 1.27 0.25 -1.33 0.00 0.00 177.39 178.27 1x0h h LEU 95 N 0.00 1.04 -0.24 2.23 5.85 0.80 -0.92 115.31 124.07 1x0h h LEU 95 Ca -0.35 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.18 1x0h h LEU 95 Cb 1.77 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 1x0h h LEU 95 CO 0.02 0.69 -0.89 0.40 -0.34 0.00 0.00 178.44 178.32 1x0h h ILE 96 N 1.19 1.60 -0.21 4.05 2.04 -1.72 -3.10 117.51 121.37 1x0h h ILE 96 Ca 0.41 -2.93 -0.03 0.00 1.00 0.00 0.00 64.86 63.31 1x0h h ILE 96 Cb 0.10 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1x0h h ILE 96 CO -0.15 0.84 0.01 0.15 0.00 0.00 0.00 178.15 179.00 1x0h h PHE 97 N 0.02 0.39 0.35 1.37 3.04 -1.49 -0.33 116.94 120.28 1x0h h PHE 97 Ca -0.02 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.85 1x0h h PHE 97 Cb 1.56 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.97 1x0h h PHE 97 CO 0.01 0.54 -0.17 1.25 -2.02 0.00 0.00 178.31 177.92 1x0h h LEU 98 N 0.13 -0.39 -1.64 0.59 5.85 -1.28 -2.57 115.31 116.00 1x0h h LEU 98 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1x0h h LEU 98 Cb 0.38 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1x0h h LEU 98 CO 0.01 -0.27 0.10 -0.07 -0.34 0.00 0.00 178.44 177.87 1x0h h LEU 99 N -0.47 0.30 -2.48 2.25 3.38 -1.56 0.38 115.31 117.11 1x0h h LEU 99 Ca -0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1x0h h LEU 99 Cb 0.36 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1x0h h LEU 99 CO 0.08 0.27 0.07 0.78 0.09 0.00 0.00 178.44 179.73 1x0h h ASN 100 N 0.34 0.00 0.00 -0.43 2.35 -0.63 0.40 115.58 117.61 1x0h h ASN 100 Ca 0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1x0h h ASN 100 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1x0h h ASN 100 CO -0.01 0.00 -1.47 0.29 -1.65 0.00 0.00 177.43 174.59 1x0h n LYS 101 N -3.67 1.51 0.00 0.81 5.02 -0.53 -4.30 118.16 116.99 1x0h n LYS 101 Ca -0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1x0h n LYS 101 Cb 0.16 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.05 0.00 -0.09 1.97 4.76 0.12 -4.63 118.16 118.25 1x0h n LYS 102 Ca -0.07 0.14 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 1x0h n LYS 102 Cb 0.50 -0.58 -0.05 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.84 -1.24 2.13 -1.00 -1.54 -3.42 116.94 112.70 1x0h h PHE 103 Ca 0.00 -0.26 -0.46 0.00 2.81 0.00 0.00 57.97 60.06 1x0h h PHE 103 Cb 0.00 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 1x0h h PHE 103 CO 0.00 1.01 1.63 0.98 -1.61 0.00 0.00 178.31 180.32 1x0h n TYR 104 N -4.25 1.24 -1.88 -0.55 9.36 0.13 -4.51 117.16 116.70 1x0h n TYR 104 Ca -0.04 0.17 -0.05 0.00 3.32 0.00 0.00 57.90 61.30 1x0h n TYR 104 Cb 0.49 -2.57 -0.05 0.00 -0.63 0.00 0.00 39.34 36.58 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x0h n GLY 105 N 6.13 0.24 0.09 2.98 0.00 -1.26 -4.58 105.19 108.79 1x0h n GLY 105 Ca 0.43 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.01 0.15 0.00 1.61 1.57 -1.99 -3.45 116.57 114.47 1x0h h LYS 106 Ca -0.42 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1x0h h LYS 106 Cb 1.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1x0h h LYS 106 CO -0.21 0.93 0.00 0.43 -0.57 0.00 0.00 179.45 180.03 1x0h n SER 107 N -4.51 0.66 0.00 0.86 7.64 -1.26 -5.15 113.62 111.85 1x0h n SER 107 Ca -0.10 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x0h n SER 107 Cb 0.51 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 108 N 2.90 0.79 3.66 0.23 0.00 -1.26 -5.10 105.19 106.40 1x0h n GLY 108 Ca 0.00 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 1x0h n GLY 108 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x0h n PRO 109 N 0.00 1.86 -1.26 1.61 -0.02 -1.26 -4.89 135.00 131.05 1x0h n PRO 109 Ca 0.00 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1x0h n PRO 109 Cb 0.00 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.26 1x0h n PRO 109 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1x0h n SER 110 N 1.35 -0.81 -3.64 2.55 3.41 -1.26 -5.13 113.62 110.09 1x0h n SER 110 Ca 0.08 -1.56 -0.03 0.00 -0.26 0.00 0.00 58.87 57.11 1x0h n SER 110 Cb 0.33 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1x0h n SER 110 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x0h s SER 111 N -0.75 -0.40 0.00 4.04 0.15 -1.26 -5.30 113.70 110.18 1x0h s SER 111 Ca 0.02 0.67 0.27 0.00 0.70 0.00 0.00 55.95 57.60 1x0h s SER 111 Cb 0.09 1.06 0.78 0.00 -1.71 0.00 0.00 66.02 66.24 1x0h s SER 111 CO -0.03 -0.11 1.59 0.61 1.20 0.00 0.00 173.24 176.51