#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1c s GLU 2 N 0.00 4.30 -0.54 2.12 0.41 0.25 -5.00 118.70 120.24 1t1c s GLU 2 Ca 0.00 1.00 -0.17 0.00 -0.41 0.00 0.00 54.97 55.39 1t1c s GLU 2 Cb 0.00 -3.57 0.10 0.00 -1.78 0.00 0.00 34.13 28.89 1t1c s GLU 2 CO 0.00 -0.30 0.57 -1.01 -0.49 0.00 0.00 175.26 174.02 1t1c s HIS 3 N 2.06 3.14 -0.03 1.61 3.76 -1.26 -4.49 115.29 120.09 1t1c s HIS 3 Ca 0.38 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 1t1c s HIS 3 Cb -0.17 -3.74 0.03 0.00 1.11 0.00 0.00 32.58 29.81 1t1c s HIS 3 CO 0.13 -1.08 0.01 0.08 -0.85 0.00 0.00 174.74 173.03 1t1c s VAL 4 N 2.09 0.10 0.07 -0.90 1.01 -1.26 -5.15 120.40 116.36 1t1c s VAL 4 Ca 0.07 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1t1c s VAL 4 Cb -0.26 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1t1c s VAL 4 CO 0.06 0.12 0.52 0.00 0.00 0.00 0.00 175.10 175.80 1t1c s ALA 5 N 0.99 3.62 0.28 5.51 0.00 -1.26 -4.69 121.76 126.21 1t1c s ALA 5 Ca -0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1t1c s ALA 5 Cb -0.13 -2.54 -0.11 0.00 0.00 0.00 0.00 23.12 20.34 1t1c s ALA 5 CO -0.02 0.44 1.56 0.12 0.00 0.00 0.00 175.76 177.85 1t1c s PHE 6 N -1.20 2.81 0.00 0.00 2.19 -1.26 -1.55 117.98 118.97 1t1c s PHE 6 Ca 0.30 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1t1c s PHE 6 Cb -0.18 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.52 1t1c s PHE 6 CO 0.18 -3.37 0.00 0.41 1.83 0.00 0.00 175.22 174.27 1t1c n GLY 7 N 2.13 0.86 3.68 13.12 0.00 -1.26 -5.02 105.19 118.70 1t1c n GLY 7 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1t1c n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t1c n SER 8 N 0.00 2.23 0.21 1.61 7.64 -0.60 -4.87 113.62 119.85 1t1c n SER 8 Ca 0.00 1.08 0.04 0.00 1.01 0.00 0.00 58.87 61.01 1t1c n SER 8 Cb 0.00 -1.47 0.45 0.00 -1.01 0.00 0.00 64.21 62.18 1t1c n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1t1c h GLU 9 N 1.91 0.00 -0.48 1.43 3.07 -1.95 -2.79 114.58 115.76 1t1c h GLU 9 Ca -0.47 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.13 1t1c h GLU 9 Cb 1.31 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.06 1t1c h GLU 9 CO 0.59 0.27 -0.00 -0.25 -1.40 0.00 0.00 179.01 178.22 1t1c n ASP 10 N -4.15 2.93 -0.01 1.42 8.00 -1.26 -4.69 116.55 118.78 1t1c n ASP 10 Ca -0.02 -3.78 0.12 0.00 0.71 0.00 0.00 54.79 51.82 1t1c n ASP 10 Cb 0.33 -0.66 0.54 0.00 -0.02 0.00 0.00 41.12 41.31 1t1c n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1t1c h ILE 11 N 1.06 0.91 0.00 0.53 2.10 -1.86 -0.62 117.51 119.62 1t1c h ILE 11 Ca 0.30 -0.10 -0.02 0.00 1.08 0.00 0.00 64.86 66.11 1t1c h ILE 11 Cb 1.77 0.58 -0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1t1c h ILE 11 CO 0.54 0.06 -0.12 1.05 -1.08 0.00 0.00 178.15 178.60 1t1c h GLU 12 N 0.30 0.00 0.01 2.19 9.09 -1.86 -1.13 114.58 123.17 1t1c h GLU 12 Ca 0.22 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.47 1t1c h GLU 12 Cb 0.47 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1t1c h GLU 12 CO -0.05 0.12 -0.61 -0.91 0.05 0.00 0.00 179.01 177.61 1t1c h ASN 13 N 0.00 0.53 -0.33 3.06 4.21 -1.49 -2.94 115.58 118.62 1t1c h ASN 13 Ca -0.00 -0.77 -0.00 0.00 1.21 0.00 0.00 56.30 56.74 1t1c h ASN 13 Cb 0.57 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1t1c h ASN 13 CO 0.02 1.23 0.20 0.74 -1.29 0.00 0.00 177.43 178.33 1t1c h THR 14 N -0.11 1.12 0.00 2.81 2.02 -1.32 -2.98 112.91 114.44 1t1c h THR 14 Ca -0.08 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1t1c h THR 14 Cb 1.33 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1t1c h THR 14 CO 0.12 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.31 1t1c n LEU 15 N -4.81 0.45 0.25 2.58 4.32 -0.45 -2.94 117.00 116.40 1t1c n LEU 15 Ca -0.01 0.55 0.10 0.00 -0.02 0.00 0.00 56.01 56.63 1t1c n LEU 15 Cb 0.06 -0.42 0.67 0.00 -1.62 0.00 0.00 43.42 42.10 1t1c n LEU 15 CO 0.35 -0.16 0.98 0.00 -1.22 0.00 0.00 177.39 177.33 1t1c h ALA 16 N 2.66 1.52 0.00 -1.18 0.00 -1.35 -2.13 119.26 118.79 1t1c h ALA 16 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t1c h ALA 16 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1t1c h ALA 16 CO 0.00 0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.76 1t1c n LYS 17 N -3.99 0.12 -3.20 0.00 2.85 -1.15 -4.89 118.16 107.90 1t1c n LYS 17 Ca -0.02 0.10 -0.39 0.00 -1.05 0.00 0.00 58.31 56.95 1t1c n LYS 17 Cb 0.21 -1.64 -0.06 0.00 -0.65 0.00 0.00 35.03 32.89 1t1c n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1t1c s MET 18 N -3.05 4.28 0.54 -1.58 -1.94 -0.80 -5.08 119.30 111.67 1t1c s MET 18 Ca 0.12 0.83 -0.00 0.00 -1.71 0.00 0.00 55.69 54.93 1t1c s MET 18 Cb 0.16 -3.21 0.11 0.00 2.01 0.00 0.00 34.83 33.90 1t1c s MET 18 CO 0.56 0.61 0.75 -3.47 -0.01 0.00 0.00 175.02 173.45 1t1c n ASP 19 N 1.60 1.02 -0.20 3.03 4.64 -1.26 -4.86 116.55 120.51 1t1c n ASP 19 Ca -0.09 -1.85 0.07 0.00 -1.38 0.00 0.00 54.79 51.54 1t1c n ASP 19 Cb 0.50 -0.48 0.35 0.00 -1.04 0.00 0.00 41.12 40.46 1t1c n ASP 19 CO 0.00 0.00 0.00 -2.24 -0.82 0.00 0.00 177.20 174.14 1t1c h ASP 20 N -0.44 0.67 -0.02 1.67 3.04 -2.00 -2.31 116.42 117.03 1t1c h ASP 20 Ca -0.25 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1t1c h ASP 20 Cb 0.91 -0.13 -0.00 0.00 -1.04 0.00 0.00 39.33 39.07 1t1c h ASP 20 CO 0.27 0.42 0.01 1.23 -2.04 0.00 0.00 179.24 179.13 1t1c h GLY 21 N 0.75 0.03 2.00 7.15 0.00 -2.00 -2.91 103.07 108.09 1t1c h GLY 21 Ca 0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1t1c h GLY 21 CO -0.12 0.01 -0.27 1.46 0.00 0.00 0.00 176.54 177.62 1t1c h GLN 22 N -0.05 0.00 0.00 4.80 4.20 -1.87 -2.29 115.11 119.89 1t1c h GLN 22 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1t1c h GLN 22 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1t1c h GLN 22 CO -0.00 0.27 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.26 1t1c h LEU 23 N 0.00 0.00 -0.42 1.46 3.38 -1.22 -1.75 115.31 116.76 1t1c h LEU 23 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t1c h LEU 23 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1t1c h LEU 23 CO 0.04 0.10 0.00 0.47 0.09 0.00 0.00 178.44 179.14 1t1c n ASP 24 N -4.28 0.56 -1.06 -0.43 8.00 -0.86 -2.45 116.55 116.03 1t1c n ASP 24 Ca -0.03 0.61 0.10 0.00 0.71 0.00 0.00 54.79 56.18 1t1c n ASP 24 Cb 0.18 -0.74 0.26 0.00 -0.02 0.00 0.00 41.12 40.80 1t1c n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t1c n GLY 25 N 0.32 1.65 3.82 0.44 0.00 -0.66 -4.63 105.19 106.14 1t1c n GLY 25 Ca 0.03 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1t1c n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t1c s LEU 26 N -1.08 3.57 0.00 0.99 1.43 -1.02 -0.58 118.68 121.98 1t1c s LEU 26 Ca 0.39 1.70 0.24 0.00 -1.03 0.00 0.00 54.13 55.43 1t1c s LEU 26 Cb 0.20 -4.52 1.28 0.00 0.03 0.00 0.00 46.19 43.18 1t1c s LEU 26 CO 0.27 -0.86 1.84 0.00 0.23 0.00 0.00 176.35 177.83 1t1c n ALA 27 N -1.77 2.62 -2.30 4.21 0.00 -1.26 -4.78 120.51 117.23 1t1c n ALA 27 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1t1c n ALA 27 Cb 0.53 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1t1c n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1t1c s PHE 28 N -1.97 0.50 0.32 0.00 -0.12 -1.26 -5.05 117.98 110.41 1t1c s PHE 28 Ca 0.36 -0.96 -0.28 0.00 -0.05 0.00 0.00 56.93 56.00 1t1c s PHE 28 Cb 0.17 -0.29 -0.09 0.00 -0.63 0.00 0.00 43.02 42.18 1t1c s PHE 28 CO 0.28 -0.50 1.13 0.20 -0.05 0.00 0.00 175.22 176.28 1t1c s GLY 29 N -2.94 2.99 -0.04 1.99 0.00 0.31 -4.64 107.32 104.98 1t1c s GLY 29 Ca 0.12 0.93 -0.02 0.00 0.00 0.00 0.00 44.72 45.76 1t1c s GLY 29 CO -0.06 1.50 0.09 0.00 0.00 0.00 0.00 173.10 174.64 1t1c s ALA 30 N -1.26 -0.11 -0.05 3.20 0.00 -1.26 -1.34 121.76 120.94 1t1c s ALA 30 Ca 0.49 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.98 1t1c s ALA 30 Cb -0.31 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1t1c s ALA 30 CO 0.40 -0.13 -0.16 0.42 0.00 0.00 0.00 175.76 176.30 1t1c s ILE 31 N 1.09 1.35 -0.16 0.00 1.01 0.01 -1.70 121.20 122.81 1t1c s ILE 31 Ca -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1t1c s ILE 31 Cb -0.12 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 1t1c s ILE 31 CO -0.04 0.40 -0.04 -1.58 0.00 0.00 0.00 174.94 173.67 1t1c s GLN 32 N 0.24 3.64 0.11 2.79 0.74 -0.40 -0.24 119.66 126.54 1t1c s GLN 32 Ca -0.08 -0.53 0.09 0.00 0.05 0.00 0.00 55.36 54.89 1t1c s GLN 32 Cb -0.13 -2.91 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1t1c s GLN 32 CO 0.03 0.21 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.27 1t1c s LEU 33 N 0.43 2.59 0.00 3.68 1.43 0.11 -0.41 118.68 126.51 1t1c s LEU 33 Ca -0.04 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1t1c s LEU 33 Cb -0.14 -1.47 0.19 0.00 0.03 0.00 0.00 46.19 44.79 1t1c s LEU 33 CO 0.03 0.19 1.13 -0.90 0.23 0.00 0.00 176.35 177.03 1t1c n ASP 34 N 0.94 0.43 0.01 2.29 5.68 -0.44 -1.18 116.55 124.28 1t1c n ASP 34 Ca -0.16 -1.62 0.08 0.00 -0.50 0.00 0.00 54.79 52.59 1t1c n ASP 34 Cb 0.53 -0.84 0.36 0.00 -1.14 0.00 0.00 41.12 40.03 1t1c n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t1c n GLY 35 N -2.72 -1.08 0.63 6.12 0.00 -1.18 -1.47 105.19 105.49 1t1c n GLY 35 Ca 0.15 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1t1c n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t1c n ASP 36 N -1.53 2.22 0.00 1.61 8.00 -1.26 -4.95 116.55 120.63 1t1c n ASP 36 Ca 0.04 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.92 1t1c n ASP 36 Cb 0.19 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1t1c n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t1c n GLY 37 N 1.37 0.74 3.77 0.44 0.00 -0.54 -4.91 105.19 106.05 1t1c n GLY 37 Ca 0.12 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1t1c n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t1c s ASN 38 N -2.05 7.22 -0.21 1.61 0.01 -1.26 -0.57 114.94 119.69 1t1c s ASN 38 Ca 0.00 2.08 -0.28 0.00 -0.71 0.00 0.00 52.86 53.95 1t1c s ASN 38 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1t1c s ASN 38 CO 0.00 -0.16 0.96 -0.63 -1.51 0.00 0.00 177.10 175.76 1t1c s ILE 39 N -1.37 4.76 -0.21 0.60 1.01 -0.36 -1.33 121.20 124.29 1t1c s ILE 39 Ca 0.48 1.87 0.07 0.00 0.00 0.00 0.00 60.65 63.08 1t1c s ILE 39 Cb -0.26 -4.24 -0.18 0.00 0.01 0.00 0.00 42.46 37.79 1t1c s ILE 39 CO 0.33 -0.10 -0.10 0.18 0.00 0.00 0.00 174.94 175.24 1t1c n LEU 40 N 5.92 1.85 -3.93 2.97 4.77 0.45 -0.43 117.00 128.60 1t1c n LEU 40 Ca 0.09 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1t1c n LEU 40 Cb 0.47 -0.33 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 1t1c n LEU 40 CO 0.50 0.72 -0.35 -1.10 -1.33 0.00 0.00 177.39 175.84 1t1c s GLN 41 N -2.46 0.19 -0.22 3.23 -1.52 -1.16 -4.91 119.66 112.81 1t1c s GLN 41 Ca -0.23 -0.33 -0.05 0.00 -1.95 0.00 0.00 55.36 52.80 1t1c s GLN 41 Cb 0.07 0.07 0.11 0.00 -0.22 0.00 0.00 33.01 33.04 1t1c s GLN 41 CO 0.62 -0.03 0.42 -0.47 -0.25 0.00 0.00 175.29 175.57 1t1c s TYR 42 N -0.81 -0.87 0.61 0.91 6.14 -1.26 -1.28 117.35 120.80 1t1c s TYR 42 Ca -0.09 1.29 -0.01 0.00 0.64 0.00 0.00 57.07 58.90 1t1c s TYR 42 Cb -0.06 0.22 0.06 0.00 0.42 0.00 0.00 41.96 42.60 1t1c s TYR 42 CO -0.00 -0.60 0.86 0.54 0.64 0.00 0.00 175.55 176.99 1t1c s ASN 43 N 2.61 5.00 0.24 4.32 4.22 -0.69 -4.77 114.94 125.86 1t1c s ASN 43 Ca 0.05 0.01 -0.07 0.00 -2.14 0.00 0.00 52.86 50.71 1t1c s ASN 43 Cb -0.13 -0.74 0.26 0.00 1.28 0.00 0.00 41.25 41.91 1t1c s ASN 43 CO -0.14 -1.38 1.89 0.00 -2.04 0.00 0.00 177.10 175.43 1t1c h ALA 44 N -0.18 1.15 -0.48 3.54 0.00 -1.84 -2.46 119.26 118.99 1t1c h ALA 44 Ca -0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1t1c h ALA 44 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1t1c h ALA 44 CO 0.51 0.43 0.04 0.00 0.00 0.00 0.00 179.25 180.24 1t1c h ALA 45 N 1.36 1.18 -0.21 0.00 0.00 -1.83 -1.77 119.26 117.98 1t1c h ALA 45 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1t1c h ALA 45 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1t1c h ALA 45 CO -0.11 0.54 0.09 0.37 0.00 0.00 0.00 179.25 180.14 1t1c h GLN 46 N 0.73 0.32 -0.02 0.00 5.75 -1.72 -2.16 115.11 118.01 1t1c h GLN 46 Ca 0.15 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1t1c h GLN 46 Cb 0.38 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1t1c h GLN 46 CO 0.01 0.37 -0.03 0.78 -2.65 0.00 0.00 178.83 177.31 1t1c h GLY 47 N 0.19 0.03 1.63 2.39 0.00 -1.08 -0.33 103.07 105.89 1t1c h GLY 47 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1t1c h GLY 47 CO -0.01 0.01 -0.34 -0.55 0.00 0.00 0.00 176.54 175.66 1t1c h ASP 48 N 0.02 0.43 0.01 0.19 3.45 -0.85 -0.71 116.42 118.98 1t1c h ASP 48 Ca 0.01 -0.17 -0.17 0.00 0.43 0.00 0.00 57.03 57.12 1t1c h ASP 48 Cb 0.07 -0.12 0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1t1c h ASP 48 CO 0.00 0.75 -0.69 0.40 -1.57 0.00 0.00 179.24 178.13 1t1c h ILE 49 N 0.36 1.41 0.00 0.35 2.04 -0.50 -3.39 117.51 117.78 1t1c h ILE 49 Ca 0.04 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1t1c h ILE 49 Cb 0.77 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1t1c h ILE 49 CO 0.06 0.63 -1.32 0.35 0.00 0.00 0.00 178.15 177.87 1t1c n THR 50 N -4.16 0.00 -0.20 -0.27 -2.24 -0.36 -4.98 114.28 102.07 1t1c n THR 50 Ca -0.11 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1t1c n THR 50 Cb 0.72 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1t1c n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t1c n GLY 51 N 1.42 1.79 3.81 3.38 0.00 -0.28 -4.96 105.19 110.36 1t1c n GLY 51 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1t1c n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t1c s ARG 52 N -0.28 3.74 -0.35 1.61 3.00 -1.25 -5.00 118.95 120.42 1t1c s ARG 52 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 55.73 56.69 1t1c s ARG 52 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 34.95 32.86 1t1c s ARG 52 CO 0.00 -0.46 0.66 0.34 0.00 0.00 0.00 175.30 175.84 1t1c s ASP 53 N -2.57 6.46 0.27 0.23 3.68 -1.26 -4.42 116.67 119.05 1t1c s ASP 53 Ca 0.63 0.21 -0.01 0.00 2.13 0.00 0.00 52.55 55.52 1t1c s ASP 53 Cb -0.13 -2.34 0.58 0.00 -1.45 0.00 0.00 42.92 39.57 1t1c s ASP 53 CO 0.28 -0.60 1.72 -0.65 0.13 0.00 0.00 175.17 176.04 1t1c h PRO 54 N 8.43 0.42 0.00 4.34 0.11 -1.89 -0.33 132.00 143.08 1t1c h PRO 54 Ca -0.26 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1t1c h PRO 54 Cb 1.11 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1t1c h PRO 54 CO 0.85 0.28 -0.22 0.87 -0.21 0.00 0.00 178.00 179.57 1t1c h LYS 55 N 0.43 0.00 0.00 1.05 6.56 -1.93 -2.85 116.57 119.84 1t1c h LYS 55 Ca 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 1t1c h LYS 55 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1t1c h LYS 55 CO -0.46 0.22 -0.12 1.04 -2.06 0.00 0.00 179.45 178.06 1t1c n GLN 56 N -3.60 0.25 -0.00 3.15 6.02 -0.14 -3.66 117.38 119.40 1t1c n GLN 56 Ca -0.01 0.18 0.08 0.00 -0.01 0.00 0.00 57.00 57.23 1t1c n GLN 56 Cb 0.35 -1.76 -0.10 0.00 1.02 0.00 0.00 30.24 29.76 1t1c n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1t1c n VAL 57 N -2.18 0.00 -1.86 5.09 0.24 -1.09 -4.87 118.33 113.67 1t1c n VAL 57 Ca 0.05 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1t1c n VAL 57 Cb 0.43 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1t1c n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1t1c s ILE 58 N -2.60 2.36 0.00 1.34 -1.09 -1.15 -1.64 121.20 118.42 1t1c s ILE 58 Ca 0.05 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1t1c s ILE 58 Cb 0.12 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1t1c s ILE 58 CO 0.66 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 1t1c n GLY 59 N 3.25 2.71 3.89 6.18 0.00 0.42 -4.99 105.19 116.64 1t1c n GLY 59 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1t1c n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1c s LYS 60 N -0.89 3.58 -0.18 1.61 1.02 -0.65 -4.69 119.74 119.53 1t1c s LYS 60 Ca 0.00 0.45 -0.24 0.00 0.02 0.00 0.00 55.97 56.20 1t1c s LYS 60 Cb 0.00 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1t1c s LYS 60 CO 0.00 -0.36 0.80 1.21 -0.92 0.00 0.00 175.35 176.08 1t1c s ASN 61 N -4.10 6.89 0.10 2.83 3.84 -1.26 -1.23 114.94 122.02 1t1c s ASN 61 Ca 0.51 1.10 -0.22 0.00 0.21 0.00 0.00 52.86 54.46 1t1c s ASN 61 Cb -0.11 -2.43 -0.11 0.00 -0.55 0.00 0.00 41.25 38.05 1t1c s ASN 61 CO 0.48 -0.39 1.75 0.15 -2.79 0.00 0.00 177.10 176.29 1t1c h PHE 62 N 7.41 0.06 0.00 0.43 3.57 -1.18 -1.48 116.94 125.74 1t1c h PHE 62 Ca -0.29 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.04 1t1c h PHE 62 Cb 1.13 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1t1c h PHE 62 CO 0.72 0.03 -0.83 0.74 -2.23 0.00 0.00 178.31 176.75 1t1c h PHE 63 N 0.07 0.00 0.07 0.41 0.04 -1.82 0.17 116.94 115.88 1t1c h PHE 63 Ca 0.03 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.43 1t1c h PHE 63 Cb 0.01 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 1t1c h PHE 63 CO -0.09 0.83 -2.18 1.17 -0.60 0.00 0.00 178.31 177.44 1t1c n LYS 64 N -3.46 0.71 -0.11 1.51 4.81 -1.22 -4.18 118.16 116.22 1t1c n LYS 64 Ca -0.00 0.21 -0.18 0.00 -0.87 0.00 0.00 58.31 57.47 1t1c n LYS 64 Cb 0.82 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 34.17 1t1c n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1t1c n ASP 65 N -3.35 1.86 0.02 3.14 8.00 -0.60 -4.76 116.55 120.86 1t1c n ASP 65 Ca -0.36 0.32 -0.22 0.00 0.71 0.00 0.00 54.79 55.24 1t1c n ASP 65 Cb 1.03 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 41.25 1t1c n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1t1c h VAL 66 N -0.94 0.86 -2.11 2.53 2.07 -1.38 -3.42 116.25 113.85 1t1c h VAL 66 Ca -0.33 -2.40 -0.56 0.00 0.82 0.00 0.00 66.70 64.24 1t1c h VAL 66 Cb 1.25 2.63 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 1t1c h VAL 66 CO -0.20 0.79 -0.88 0.00 0.02 0.00 0.00 177.57 177.30 1t1c n ALA 67 N -2.98 3.28 0.28 1.67 0.00 0.59 -4.95 120.51 118.41 1t1c n ALA 67 Ca -0.28 -4.06 0.14 0.00 0.00 0.00 0.00 53.44 49.24 1t1c n ALA 67 Cb 0.99 -0.84 0.84 0.00 0.00 0.00 0.00 19.45 20.43 1t1c n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t1c h PRO 68 N 3.61 0.00 0.00 0.00 0.13 -1.77 -1.12 132.00 132.86 1t1c h PRO 68 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1t1c h PRO 68 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1t1c h PRO 68 CO 0.65 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1t1c n THR 70 N -2.22 0.00 -2.62 0.00 -2.24 -0.42 -4.70 114.28 102.08 1t1c n THR 70 Ca 0.01 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1t1c n THR 70 Cb 0.16 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1t1c n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t1c s ASP 71 N -2.22 6.78 0.03 3.42 -1.08 -0.36 -1.64 116.67 121.60 1t1c s ASP 71 Ca 0.29 -2.26 -0.27 0.00 -0.52 0.00 0.00 52.55 49.78 1t1c s ASP 71 Cb 0.20 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.18 1t1c s ASP 71 CO 0.42 -1.21 0.70 -0.55 0.52 0.00 0.00 175.17 175.06 1t1c s SER 72 N 4.26 -0.56 0.53 -0.34 0.15 -1.26 -4.97 113.70 111.51 1t1c s SER 72 Ca 0.51 0.30 0.21 0.00 0.70 0.00 0.00 55.95 57.66 1t1c s SER 72 Cb 0.02 0.52 1.36 0.00 -1.71 0.00 0.00 66.02 66.21 1t1c s SER 72 CO 0.03 -0.73 2.09 -0.65 1.20 0.00 0.00 173.24 175.18 1t1c h PRO 73 N 2.42 0.00 0.00 5.44 0.11 -1.94 -0.98 132.00 137.05 1t1c h PRO 73 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1t1c h PRO 73 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1t1c h PRO 73 CO 0.37 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1t1c n GLU 74 N -4.41 0.24 0.00 1.05 4.71 -1.26 -3.26 120.64 117.71 1t1c n GLU 74 Ca 0.02 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 1t1c n GLU 74 Cb 0.30 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 1t1c n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1t1c n PHE 75 N -2.29 0.00 -0.30 -0.32 -0.00 -0.92 -4.72 117.46 108.91 1t1c n PHE 75 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.56 1t1c n PHE 75 Cb 0.35 0.13 0.23 0.00 -0.00 0.00 0.00 39.48 40.18 1t1c n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1t1c h TYR 76 N 0.00 0.79 -0.63 -5.13 3.20 -0.61 -1.81 116.97 112.77 1t1c h TYR 76 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1t1c h TYR 76 Cb 0.00 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1t1c h TYR 76 CO 0.00 0.19 0.42 0.78 -1.64 0.00 0.00 178.16 177.91 1t1c h GLY 77 N 0.64 0.88 1.22 1.82 0.00 -1.18 0.74 103.07 107.20 1t1c h GLY 77 Ca 0.47 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1t1c h GLY 77 CO -0.36 0.31 -0.48 0.50 0.00 0.00 0.00 176.54 176.50 1t1c h LYS 78 N 0.83 0.83 -0.15 4.80 1.57 -1.36 -2.06 116.57 121.03 1t1c h LYS 78 Ca 0.24 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1t1c h LYS 78 Cb -0.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1t1c h LYS 78 CO -0.06 1.12 0.03 0.35 -0.57 0.00 0.00 179.45 180.33 1t1c h PHE 79 N 0.65 0.25 -0.42 -1.35 3.57 -0.85 -1.84 116.94 116.94 1t1c h PHE 79 Ca 0.03 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1t1c h PHE 79 Cb 1.07 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1t1c h PHE 79 CO 0.06 0.40 0.10 1.57 -2.23 0.00 0.00 178.31 178.20 1t1c h LYS 80 N 0.03 0.63 -0.40 1.11 5.09 -0.79 0.67 116.57 122.91 1t1c h LYS 80 Ca 0.05 -0.11 -0.14 0.00 0.09 0.00 0.00 60.65 60.54 1t1c h LYS 80 Cb 0.28 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 1t1c h LYS 80 CO 0.00 0.59 -0.29 1.49 -2.09 0.00 0.00 179.45 179.15 1t1c h GLU 81 N 0.62 0.86 -0.46 0.07 4.22 -1.28 -2.23 114.58 116.39 1t1c h GLU 81 Ca 0.14 -0.39 -0.07 0.00 0.08 0.00 0.00 59.36 59.12 1t1c h GLU 81 Cb 0.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1t1c h GLU 81 CO -0.00 1.04 0.03 0.78 -2.18 0.00 0.00 179.01 178.67 1t1c h GLY 82 N 0.90 0.85 1.05 1.92 0.00 -0.62 -1.13 103.07 106.05 1t1c h GLY 82 Ca 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1t1c h GLY 82 CO 0.07 0.56 0.53 -2.08 0.00 0.00 0.00 176.54 175.62 1t1c h VAL 83 N 0.64 1.26 -0.38 4.60 2.07 -0.85 0.15 116.25 123.74 1t1c h VAL 83 Ca 0.13 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1t1c h VAL 83 Cb 0.46 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1t1c h VAL 83 CO 0.02 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 1t1c h ALA 84 N 1.31 0.52 0.00 1.67 0.00 -1.19 -3.02 119.26 118.56 1t1c h ALA 84 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1t1c h ALA 84 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1t1c h ALA 84 CO -0.06 0.31 -0.06 0.43 0.00 0.00 0.00 179.25 179.87 1t1c n SER 85 N -4.44 0.23 -0.16 0.00 7.64 -0.45 -4.93 113.62 111.52 1t1c n SER 85 Ca -0.01 0.44 -0.02 0.00 1.01 0.00 0.00 58.87 60.28 1t1c n SER 85 Cb 0.30 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1t1c n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t1c n GLY 86 N 1.46 0.38 2.84 0.23 0.00 0.50 -4.97 105.19 105.62 1t1c n GLY 86 Ca 0.06 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1t1c n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1c s ASN 87 N -2.14 0.02 -0.22 1.61 2.20 -1.02 -5.01 114.94 110.38 1t1c s ASN 87 Ca 0.00 0.02 -0.09 0.00 -0.94 0.00 0.00 52.86 51.84 1t1c s ASN 87 Cb 0.00 -0.02 0.08 0.00 -2.00 0.00 0.00 41.25 39.32 1t1c s ASN 87 CO 0.00 -0.04 0.49 -0.22 -2.94 0.00 0.00 177.10 174.39 1t1c s LEU 88 N 0.33 -0.59 -0.34 3.54 2.96 -1.26 -4.35 118.68 118.97 1t1c s LEU 88 Ca -0.03 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 1t1c s LEU 88 Cb -0.04 1.64 0.19 0.00 0.50 0.00 0.00 46.19 48.48 1t1c s LEU 88 CO -0.01 -0.22 0.67 0.21 -1.32 0.00 0.00 176.35 175.68 1t1c s ASN 89 N 2.13 -1.43 -0.07 3.68 2.47 -1.23 -1.89 114.94 118.60 1t1c s ASN 89 Ca -0.06 -0.21 -0.11 0.00 0.42 0.00 0.00 52.86 52.90 1t1c s ASN 89 Cb -0.10 1.86 0.02 0.00 -1.45 0.00 0.00 41.25 41.58 1t1c s ASN 89 CO -0.15 -0.22 0.28 0.28 -3.72 0.00 0.00 177.10 173.58 1t1c s THR 90 N 2.42 0.03 -0.03 -5.21 -1.32 -0.52 -5.02 115.64 105.98 1t1c s THR 90 Ca 0.14 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1t1c s THR 90 Cb -0.06 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1t1c s THR 90 CO -0.18 -0.11 -0.11 -0.32 -2.21 0.00 0.00 174.62 171.68 1t1c s MET 91 N -0.42 1.19 0.17 7.08 0.00 -1.26 -0.94 119.30 125.12 1t1c s MET 91 Ca -0.05 -0.40 -0.23 0.00 0.00 0.00 0.00 55.69 55.01 1t1c s MET 91 Cb -0.04 -1.08 0.06 0.00 0.00 0.00 0.00 34.83 33.77 1t1c s MET 91 CO 0.02 0.16 0.65 -0.59 0.00 0.00 0.00 175.02 175.26 1t1c s PHE 92 N 0.11 -0.45 0.24 4.11 -0.71 -0.16 -5.00 117.98 116.13 1t1c s PHE 92 Ca -0.03 0.19 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 1t1c s PHE 92 Cb -0.09 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1t1c s PHE 92 CO 0.01 -0.91 0.50 -1.21 -1.34 0.00 0.00 175.22 172.27 1t1c s GLU 93 N -3.73 3.64 0.15 1.99 2.02 -1.26 -0.34 118.70 121.16 1t1c s GLU 93 Ca 0.04 -0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.80 1t1c s GLU 93 Cb -0.02 -2.71 0.06 0.00 0.10 0.00 0.00 34.13 31.55 1t1c s GLU 93 CO -0.08 0.31 0.52 -0.47 0.02 0.00 0.00 175.26 175.55 1t1c s TYR 94 N -1.93 -0.40 -0.16 1.61 5.04 -0.37 -4.94 117.35 116.21 1t1c s TYR 94 Ca 0.43 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1t1c s TYR 94 Cb -0.11 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.64 1t1c s TYR 94 CO 0.27 -0.79 -0.16 0.99 -1.34 0.00 0.00 175.55 174.52 1t1c s THR 95 N -3.77 2.55 -0.24 4.34 2.01 -1.26 -0.84 115.64 118.43 1t1c s THR 95 Ca 0.02 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 1t1c s THR 95 Cb 0.00 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1t1c s THR 95 CO -0.12 0.52 0.42 -0.36 -0.69 0.00 0.00 174.62 174.38 1t1c s PHE 96 N 0.92 3.31 -0.01 4.92 0.08 -0.16 -4.90 117.98 122.14 1t1c s PHE 96 Ca -0.03 0.56 0.01 0.00 0.12 0.00 0.00 56.93 57.58 1t1c s PHE 96 Cb -0.15 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1t1c s PHE 96 CO -0.02 -0.14 0.99 -0.40 -0.10 0.00 0.00 175.22 175.55 1t1c n ASP 97 N 4.99 0.14 -4.59 1.36 5.68 -1.26 -1.01 116.55 121.86 1t1c n ASP 97 Ca -0.07 -2.02 -0.40 0.00 -0.50 0.00 0.00 54.79 51.80 1t1c n ASP 97 Cb 0.51 -0.20 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 1t1c n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1t1c s TYR 98 N -0.16 3.23 -1.54 2.11 5.04 -1.26 -4.18 117.35 120.59 1t1c s TYR 98 Ca 0.02 0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1t1c s TYR 98 Cb 0.02 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1t1c s TYR 98 CO 0.00 -0.30 0.10 1.04 -1.34 0.00 0.00 175.55 175.04 1t1c n GLN 99 N 5.42 -2.31 -3.67 4.97 6.02 -1.26 -4.94 117.38 121.62 1t1c n GLN 99 Ca -0.07 0.87 -0.10 0.00 -0.01 0.00 0.00 57.00 57.68 1t1c n GLN 99 Cb 0.50 -5.54 -0.03 0.00 1.02 0.00 0.00 30.24 26.18 1t1c n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t1c s MET 100 N -5.17 1.33 0.18 -1.09 0.23 -1.26 -5.10 119.30 108.43 1t1c s MET 100 Ca 0.05 -0.77 -0.31 0.00 -1.03 0.00 0.00 55.69 53.63 1t1c s MET 100 Cb -0.03 0.53 -0.10 0.00 -1.53 0.00 0.00 34.83 33.70 1t1c s MET 100 CO 0.07 -0.57 1.54 0.99 -2.03 0.00 0.00 175.02 175.02 1t1c s THR 101 N -3.84 2.62 -0.11 3.16 2.01 -1.26 -4.74 115.64 113.47 1t1c s THR 101 Ca 0.07 0.46 -0.37 0.00 0.31 0.00 0.00 61.69 62.16 1t1c s THR 101 Cb -0.01 -3.29 -0.14 0.00 0.01 0.00 0.00 72.50 69.07 1t1c s THR 101 CO -0.06 0.04 1.72 -2.65 -0.69 0.00 0.00 174.62 172.99 1t1c n PRO 102 N 3.63 1.63 -4.34 4.92 -0.02 -1.26 -4.78 135.00 134.78 1t1c n PRO 102 Ca 0.12 0.60 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 1t1c n PRO 102 Cb 0.39 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1t1c n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t1c s THR 103 N 3.05 1.21 -0.02 3.45 2.01 -0.18 -4.97 115.64 120.19 1t1c s THR 103 Ca 0.92 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1t1c s THR 103 Cb -0.88 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1t1c s THR 103 CO 0.55 0.38 0.61 -0.75 -0.69 0.00 0.00 174.62 174.72 1t1c s LYS 104 N 1.07 4.35 0.10 4.92 2.20 -1.26 -0.99 119.74 130.12 1t1c s LYS 104 Ca -0.06 0.74 -0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1t1c s LYS 104 Cb -0.15 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1t1c s LYS 104 CO -0.01 0.30 0.04 0.14 -0.36 0.00 0.00 175.35 175.45 1t1c s VAL 105 N 0.05 0.15 -0.17 4.02 -7.23 -0.02 -3.04 120.40 114.16 1t1c s VAL 105 Ca 0.32 -1.80 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1t1c s VAL 105 Cb -0.18 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1t1c s VAL 105 CO 0.17 -0.68 0.05 -0.75 -0.31 0.00 0.00 175.10 173.59 1t1c s LYS 106 N -3.98 3.90 -0.06 4.82 2.20 -0.06 -1.23 119.74 125.32 1t1c s LYS 106 Ca 0.16 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1t1c s LYS 106 Cb 0.07 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1t1c s LYS 106 CO -0.04 0.31 -0.23 0.08 -0.36 0.00 0.00 175.35 175.11 1t1c s VAL 107 N 0.26 2.19 -0.19 4.02 1.01 0.54 -1.67 120.40 126.56 1t1c s VAL 107 Ca 0.03 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1t1c s VAL 107 Cb -0.12 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1t1c s VAL 107 CO 0.00 0.57 -0.06 -2.28 0.00 0.00 0.00 175.10 173.33 1t1c s HIS 108 N -0.14 1.99 -0.15 5.22 2.46 -0.13 -0.98 115.29 123.56 1t1c s HIS 108 Ca -0.04 -1.34 -0.05 0.00 0.47 0.00 0.00 55.06 54.10 1t1c s HIS 108 Cb -0.14 -1.44 -0.03 0.00 -0.13 0.00 0.00 32.58 30.84 1t1c s HIS 108 CO 0.04 -0.68 0.02 -1.64 -2.47 0.00 0.00 174.74 170.00 1t1c s MET 109 N 1.54 3.62 -0.13 2.88 -1.94 -0.12 -0.31 119.30 124.84 1t1c s MET 109 Ca -0.01 -0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 1t1c s MET 109 Cb -0.16 -3.01 0.04 0.00 2.01 0.00 0.00 34.83 33.70 1t1c s MET 109 CO -0.08 0.38 0.34 0.21 -0.01 0.00 0.00 175.02 175.87 1t1c s LYS 110 N 0.02 0.38 0.38 2.03 2.20 -0.59 -1.44 119.74 122.71 1t1c s LYS 110 Ca 0.03 0.53 -0.28 0.00 -0.36 0.00 0.00 55.97 55.89 1t1c s LYS 110 Cb -0.13 0.14 -0.11 0.00 -1.51 0.00 0.00 37.83 36.22 1t1c s LYS 110 CO 0.02 -0.07 1.50 0.21 -0.36 0.00 0.00 175.35 176.64 1t1c s LYS 111 N 0.45 4.09 0.78 4.03 2.20 -0.79 -0.62 119.74 129.89 1t1c s LYS 111 Ca -0.02 2.59 -0.12 0.00 -0.36 0.00 0.00 55.97 58.06 1t1c s LYS 111 Cb -0.04 -2.96 0.06 0.00 -1.51 0.00 0.00 37.83 33.38 1t1c s LYS 111 CO -0.02 -0.56 1.13 0.00 -0.36 0.00 0.00 175.35 175.54 1t1c s ALA 112 N -1.10 2.56 -0.08 3.13 0.00 0.41 -4.79 121.76 121.89 1t1c s ALA 112 Ca 0.53 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 1t1c s ALA 112 Cb -0.47 -3.02 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 1t1c s ALA 112 CO 0.64 -1.57 1.01 1.25 0.00 0.00 0.00 175.76 177.09 1t1c h LEU 113 N -0.97 0.02 -9.75 0.00 7.12 -1.86 -3.45 115.31 106.42 1t1c h LEU 113 Ca -0.46 -0.76 -0.53 0.00 0.13 0.00 0.00 57.88 56.26 1t1c h LEU 113 Cb 1.29 -0.01 0.05 0.00 -0.53 0.00 0.00 40.66 41.47 1t1c h LEU 113 CO 0.64 0.78 0.73 -0.44 -0.13 0.00 0.00 178.44 180.01 1t1c s SER 114 N -6.01 6.71 0.00 1.25 0.01 -1.26 -4.94 113.70 109.46 1t1c s SER 114 Ca -0.17 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1t1c s SER 114 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1t1c s SER 114 CO 0.69 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1t1c n GLY 115 N 2.03 0.00 2.75 3.44 0.00 -1.26 -3.43 105.19 108.73 1t1c n GLY 115 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1t1c n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t1c n ASP 116 N 0.00 6.67 -4.26 1.61 2.03 -1.26 -4.89 116.55 116.46 1t1c n ASP 116 Ca 0.00 -3.74 -0.20 0.00 0.52 0.00 0.00 54.79 51.38 1t1c n ASP 116 Cb 0.00 -0.96 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1t1c n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t1c s SER 117 N -1.85 2.16 -0.01 1.67 1.04 -1.22 -3.12 113.70 112.37 1t1c s SER 117 Ca 0.45 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1t1c s SER 117 Cb 0.30 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1t1c s SER 117 CO -0.22 -0.08 0.01 -0.31 0.98 0.00 0.00 173.24 173.61 1t1c s TYR 118 N -1.86 0.06 -0.03 5.02 1.51 -0.32 -0.44 117.35 121.29 1t1c s TYR 118 Ca 0.08 0.05 -0.09 0.00 -1.01 0.00 0.00 57.07 56.11 1t1c s TYR 118 Cb -0.06 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 1t1c s TYR 118 CO 0.04 -0.05 0.27 -1.58 -1.11 0.00 0.00 175.55 173.12 1t1c s TRP 119 N 0.55 3.62 -0.19 2.71 0.52 0.21 0.05 118.94 126.42 1t1c s TRP 119 Ca -0.05 0.68 0.01 0.00 0.02 0.00 0.00 56.10 56.76 1t1c s TRP 119 Cb -0.07 -2.06 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1t1c s TRP 119 CO -0.01 0.65 -0.14 0.08 0.02 0.00 0.00 176.95 177.54 1t1c s VAL 120 N -1.17 1.84 -0.09 4.03 1.01 0.67 -1.54 120.40 125.15 1t1c s VAL 120 Ca 0.23 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1t1c s VAL 120 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1t1c s VAL 120 CO 0.12 0.32 -0.04 -0.36 0.00 0.00 0.00 175.10 175.14 1t1c s PHE 121 N 1.34 3.03 -0.01 5.22 0.08 0.58 -0.81 117.98 127.41 1t1c s PHE 121 Ca 0.01 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1t1c s PHE 121 Cb -0.15 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1t1c s PHE 121 CO -0.10 0.32 -0.03 0.08 -0.10 0.00 0.00 175.22 175.40 1t1c s VAL 122 N -0.66 0.24 0.06 -0.44 1.01 -0.45 -0.95 120.40 119.22 1t1c s VAL 122 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1t1c s VAL 122 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1t1c s VAL 122 CO 0.02 0.09 0.12 -1.59 0.00 0.00 0.00 175.10 173.74 1t1c s LYS 123 N 0.16 0.70 0.56 2.72 -2.85 -0.67 -0.53 119.74 119.83 1t1c s LYS 123 Ca -0.01 -0.89 -0.18 0.00 -1.00 0.00 0.00 55.97 53.89 1t1c s LYS 123 Cb -0.04 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 1t1c s LYS 123 CO -0.00 -0.19 1.07 1.03 0.10 0.00 0.00 175.35 177.35 1t1c s ARG 124 N -3.29 3.41 0.00 1.78 0.52 -1.26 -0.88 118.95 119.23 1t1c s ARG 124 Ca 0.01 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1t1c s ARG 124 Cb 0.03 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1t1c s ARG 124 CO -0.08 -0.76 0.24 1.33 0.02 0.00 0.00 175.30 176.06