#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uyy s VAL 2 N 0.00 4.78 -0.16 2.03 1.01 -1.26 -0.79 120.40 126.01 1uyy s VAL 2 Ca 0.00 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 63.77 1uyy s VAL 2 Cb 0.00 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.85 1uyy s VAL 2 CO 0.00 -0.01 0.47 0.40 0.00 0.00 0.00 175.10 175.96 1uyy h ILE 3 N 5.13 1.22 -2.21 2.22 1.08 -1.16 -3.48 117.51 120.31 1uyy h ILE 3 Ca -0.30 -2.28 -0.07 0.00 -0.39 0.00 0.00 64.86 61.82 1uyy h ILE 3 Cb 1.14 2.71 -0.21 0.00 -3.07 0.00 0.00 36.82 37.39 1uyy h ILE 3 CO 0.87 0.49 0.06 0.00 -0.69 0.00 0.00 178.15 178.88 1uyy s ALA 4 N -2.34 -1.57 -0.15 1.87 0.00 -1.09 -4.95 121.76 113.52 1uyy s ALA 4 Ca -0.24 1.50 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1uyy s ALA 4 Cb 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1uyy s ALA 4 CO 0.66 -0.32 -0.07 0.99 0.00 0.00 0.00 175.76 177.02 1uyy s THR 5 N -0.33 3.49 -0.20 0.00 2.01 -1.26 -0.91 115.64 118.44 1uyy s THR 5 Ca -0.05 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1uyy s THR 5 Cb -0.03 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 70.00 1uyy s THR 5 CO 0.04 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.68 1uyy s ILE 6 N 0.52 2.01 0.20 1.82 1.01 0.14 -5.00 121.20 121.90 1uyy s ILE 6 Ca -0.05 -1.11 -0.31 0.00 0.00 0.00 0.00 60.65 59.18 1uyy s ILE 6 Cb -0.15 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 1uyy s ILE 6 CO 0.03 0.35 1.43 -1.10 0.00 0.00 0.00 174.94 175.65 1uyy s GLN 7 N 1.27 4.29 0.44 2.79 -1.52 -1.26 -0.77 119.66 124.89 1uyy s GLN 7 Ca 0.01 2.23 0.11 0.00 -1.95 0.00 0.00 55.36 55.76 1uyy s GLN 7 Cb -0.15 -3.16 0.98 0.00 -0.22 0.00 0.00 33.01 30.46 1uyy s GLN 7 CO -0.10 -0.43 2.03 0.00 -0.25 0.00 0.00 175.29 176.54 1uyy h ALA 8 N 5.77 1.73 0.00 6.09 0.00 -1.42 -0.95 119.26 130.47 1uyy h ALA 8 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1uyy h ALA 8 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uyy h ALA 8 CO 0.82 0.21 0.00 -0.85 0.00 0.00 0.00 179.25 179.43 1uyy n GLU 9 N -4.41 0.22 -1.01 0.00 0.00 -1.26 -3.86 120.64 110.31 1uyy n GLU 9 Ca -0.01 0.36 -0.16 0.00 0.00 0.00 0.00 57.16 57.35 1uyy n GLU 9 Cb 0.16 -1.86 -0.02 0.00 0.00 0.00 0.00 31.44 29.71 1uyy n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uyy n ASP 10 N -2.27 6.11 -4.81 -1.84 8.00 -0.36 -4.92 116.55 116.46 1uyy n ASP 10 Ca 0.03 -2.91 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 1uyy n ASP 10 Cb 0.30 -1.17 -0.06 0.00 -0.02 0.00 0.00 41.12 40.17 1uyy n ASP 10 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1uyy s HIS 11 N -1.09 3.56 -0.04 1.24 -3.43 -1.25 -4.90 115.29 109.38 1uyy s HIS 11 Ca 0.39 1.48 0.12 0.00 -0.80 0.00 0.00 55.06 56.25 1uyy s HIS 11 Cb 0.25 -2.71 -0.10 0.00 -1.43 0.00 0.00 32.58 28.60 1uyy s HIS 11 CO -0.06 0.20 1.20 0.66 -2.00 0.00 0.00 174.74 174.74 1uyy h SER 12 N 2.93 0.00 -5.17 7.38 4.64 -1.36 -3.47 113.55 118.50 1uyy h SER 12 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1uyy h SER 12 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1uyy h SER 12 CO 0.65 0.74 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.74 1uyy s GLN 13 N -2.83 0.70 0.22 4.77 1.11 -1.19 -4.99 119.66 117.45 1uyy s GLN 13 Ca 0.01 -1.00 -0.18 0.00 0.01 0.00 0.00 55.36 54.21 1uyy s GLN 13 Cb 0.09 0.27 0.02 0.00 -1.01 0.00 0.00 33.01 32.38 1uyy s GLN 13 CO 0.79 -0.18 0.55 1.14 0.01 0.00 0.00 175.29 177.60 1uyy s GLN 14 N -3.57 1.47 -0.03 2.91 1.03 -1.26 -0.97 119.66 119.23 1uyy s GLN 14 Ca 0.03 -0.93 -0.01 0.00 0.04 0.00 0.00 55.36 54.49 1uyy s GLN 14 Cb 0.04 0.53 0.03 0.00 0.03 0.00 0.00 33.01 33.65 1uyy s GLN 14 CO -0.09 -0.63 0.05 0.45 -2.54 0.00 0.00 175.29 172.53 1uyy s SER 15 N -2.90 0.43 0.00 12.60 0.15 -0.27 -4.96 113.70 118.76 1uyy s SER 15 Ca 0.11 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1uyy s SER 15 Cb -0.02 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1uyy s SER 15 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1uyy n GLY 16 N 4.59 0.92 3.77 9.45 0.00 -1.26 -2.03 105.19 120.63 1uyy n GLY 16 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1uyy n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uyy s THR 17 N -3.24 1.68 -0.02 2.61 -4.23 -1.26 -4.71 115.64 106.46 1uyy s THR 17 Ca 0.00 -1.81 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 1uyy s THR 17 Cb 0.00 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.38 1uyy s THR 17 CO 0.00 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.38 1uyy s GLN 18 N -3.95 0.64 0.48 3.99 -2.07 -0.94 -5.01 119.66 112.79 1uyy s GLN 18 Ca 0.25 -0.16 -0.21 0.00 -1.82 0.00 0.00 55.36 53.42 1uyy s GLN 18 Cb 0.03 0.28 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1uyy s GLN 18 CO 0.14 -0.17 1.04 -1.14 -1.32 0.00 0.00 175.29 173.84 1uyy s GLN 19 N -1.23 3.84 0.12 9.60 0.74 -1.26 -0.58 119.66 130.89 1uyy s GLN 19 Ca -0.13 1.38 -0.15 0.00 0.05 0.00 0.00 55.36 56.51 1uyy s GLN 19 Cb -0.05 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.95 1uyy s GLN 19 CO 0.04 -0.40 0.37 -1.83 -0.55 0.00 0.00 175.29 172.92 1uyy s GLU 20 N -3.15 1.05 0.30 1.67 -1.05 -0.42 -4.87 118.70 112.23 1uyy s GLU 20 Ca 0.66 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 54.44 1uyy s GLU 20 Cb -0.17 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 33.88 1uyy s GLU 20 CO 0.21 -0.40 1.22 0.95 0.95 0.00 0.00 175.26 178.19 1uyy s THR 21 N -3.81 3.05 0.05 1.83 -4.23 -1.26 -0.69 115.64 110.58 1uyy s THR 21 Ca 0.03 1.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 1uyy s THR 21 Cb 0.02 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1uyy s THR 21 CO -0.12 0.25 -0.04 0.28 -0.54 0.00 0.00 174.62 174.45 1uyy s THR 22 N -1.09 3.77 -1.95 3.99 -1.32 -0.82 -4.70 115.64 113.53 1uyy s THR 22 Ca 0.47 -0.92 0.22 0.00 -1.21 0.00 0.00 61.69 60.26 1uyy s THR 22 Cb -0.36 -2.72 0.63 0.00 -1.51 0.00 0.00 72.50 68.53 1uyy s THR 22 CO 0.47 0.25 1.52 0.35 -2.21 0.00 0.00 174.62 175.00 1uyy n THR 23 N 1.05 0.98 -0.76 5.08 -2.24 -1.26 -4.15 114.28 112.97 1uyy n THR 23 Ca -0.13 -0.99 -0.31 0.00 -2.27 0.00 0.00 64.05 60.35 1uyy n THR 23 Cb 0.52 0.52 0.16 0.00 -2.10 0.00 0.00 70.33 69.43 1uyy n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uyy s ASP 24 N -1.02 3.06 0.04 3.42 2.15 -1.26 -4.83 116.67 118.23 1uyy s ASP 24 Ca 0.48 2.18 -0.38 0.00 0.43 0.00 0.00 52.55 55.26 1uyy s ASP 24 Cb 0.25 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 40.12 1uyy s ASP 24 CO 0.33 -3.01 1.27 0.41 -0.17 0.00 0.00 175.17 173.99 1uyy n THR 25 N -4.13 0.01 0.00 1.71 -1.04 -1.26 -1.00 114.28 108.57 1uyy n THR 25 Ca 0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1uyy n THR 25 Cb 0.52 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1uyy n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyy n GLY 26 N 2.25 2.00 7.00 3.41 0.00 -1.26 -4.97 105.19 113.62 1uyy n GLY 26 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1uyy n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 27 N -2.00 1.32 3.93 -0.02 0.00 -0.17 -4.99 105.19 103.26 1uyy n GLY 27 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1uyy n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 28 N 0.00 0.64 3.22 -0.02 0.00 -1.26 -4.80 105.19 102.97 1uyy n GLY 28 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1uyy n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uyy s LYS 29 N 0.00 0.98 0.27 1.61 -0.14 -1.26 -1.94 119.74 119.26 1uyy s LYS 29 Ca 0.00 -1.23 0.07 0.00 -1.36 0.00 0.00 55.97 53.46 1uyy s LYS 29 Cb 0.00 -0.80 -0.06 0.00 -1.68 0.00 0.00 37.83 35.30 1uyy s LYS 29 CO 0.00 0.14 -0.09 0.54 -0.76 0.00 0.00 175.35 175.19 1uyy s ASN 30 N -2.48 2.84 -0.00 2.83 2.20 0.13 -4.73 114.94 115.72 1uyy s ASN 30 Ca 0.08 -1.15 -0.23 0.00 -0.94 0.00 0.00 52.86 50.63 1uyy s ASN 30 Cb -0.04 -0.18 -0.05 0.00 -2.00 0.00 0.00 41.25 38.98 1uyy s ASN 30 CO 0.02 -0.28 0.68 -0.69 -2.94 0.00 0.00 177.10 173.89 1uyy s VAL 31 N -2.95 4.89 0.22 3.54 1.01 0.27 -1.30 120.40 126.08 1uyy s VAL 31 Ca 0.28 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.71 1uyy s VAL 31 Cb 0.02 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1uyy s VAL 31 CO 0.11 0.36 0.09 0.61 0.00 0.00 0.00 175.10 176.27 1uyy n GLY 32 N 2.61 3.59 3.76 4.51 0.00 0.25 -1.73 105.19 118.18 1uyy n GLY 32 Ca -0.04 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 1uyy n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uyy n TYR 33 N -0.49 -1.85 -3.41 1.61 4.02 -1.26 -2.22 117.16 113.56 1uyy n TYR 33 Ca -0.02 0.77 -0.37 0.00 -0.01 0.00 0.00 57.90 58.27 1uyy n TYR 33 Cb 0.34 -4.11 -0.06 0.00 -0.02 0.00 0.00 39.34 35.49 1uyy n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uyy s ILE 34 N -3.73 5.21 0.14 -0.72 1.01 -1.26 -4.29 121.20 117.57 1uyy s ILE 34 Ca 0.06 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 1uyy s ILE 34 Cb -0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1uyy s ILE 34 CO 0.84 0.37 0.06 -1.81 0.00 0.00 0.00 174.94 174.40 1uyy s ASP 35 N 0.42 0.31 0.06 3.58 1.01 -1.26 -3.04 116.67 117.75 1uyy s ASP 35 Ca 0.23 -1.23 -0.35 0.00 0.71 0.00 0.00 52.55 51.90 1uyy s ASP 35 Cb -0.14 0.30 -0.15 0.00 1.01 0.00 0.00 42.92 43.94 1uyy s ASP 35 CO 0.08 -0.74 1.57 0.00 0.21 0.00 0.00 175.17 176.29 1uyy n ALA 36 N -0.12 0.43 0.00 5.23 0.00 -1.26 -1.49 120.51 123.31 1uyy n ALA 36 Ca -0.05 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1uyy n ALA 36 Cb 0.64 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1uyy n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyy n GLY 37 N 3.36 3.23 3.75 0.00 0.00 -0.52 -5.00 105.19 110.01 1uyy n GLY 37 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1uyy n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uyy s ASP 38 N -0.11 4.57 0.16 1.61 1.01 -0.55 -4.80 116.67 118.55 1uyy s ASP 38 Ca 0.00 2.11 -0.17 0.00 0.71 0.00 0.00 52.55 55.19 1uyy s ASP 38 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1uyy s ASP 38 CO 0.00 -2.00 0.48 -1.66 0.21 0.00 0.00 175.17 172.20 1uyy s TRP 39 N -2.32 -0.19 -0.05 4.23 1.48 -0.86 -0.97 118.94 120.27 1uyy s TRP 39 Ca 0.69 -0.13 0.02 0.00 -1.06 0.00 0.00 56.10 55.62 1uyy s TRP 39 Cb -0.23 0.35 0.01 0.00 -1.16 0.00 0.00 33.47 32.44 1uyy s TRP 39 CO 0.46 -0.82 -0.08 -0.51 -4.06 0.00 0.00 176.95 171.94 1uyy s LEU 40 N -2.83 1.57 -0.07 -4.66 1.43 -0.12 -1.11 118.68 112.88 1uyy s LEU 40 Ca 0.06 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1uyy s LEU 40 Cb 0.00 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1uyy s LEU 40 CO -0.08 0.01 -0.15 -0.55 0.23 0.00 0.00 176.35 175.82 1uyy s SER 41 N 0.62 3.95 -0.25 2.29 0.15 -0.15 -0.84 113.70 119.48 1uyy s SER 41 Ca -0.10 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.40 1uyy s SER 41 Cb -0.13 -1.05 0.47 0.00 -1.71 0.00 0.00 66.02 63.59 1uyy s SER 41 CO 0.01 0.29 1.36 -1.22 1.20 0.00 0.00 173.24 174.89 1uyy n TYR 42 N 2.69 0.65 0.22 3.44 4.02 0.04 -0.90 117.16 127.33 1uyy n TYR 42 Ca -0.17 -1.50 0.11 0.00 -0.01 0.00 0.00 57.90 56.33 1uyy n TYR 42 Cb 0.52 -0.38 0.69 0.00 -0.02 0.00 0.00 39.34 40.15 1uyy n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uyy h ALA 43 N 0.99 2.00 0.00 -0.72 0.00 -1.88 -1.91 119.26 117.74 1uyy h ALA 43 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uyy h ALA 43 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1uyy h ALA 43 CO 0.23 -0.11 0.00 0.78 0.00 0.00 0.00 179.25 180.15 1uyy h GLY 44 N 0.00 0.00 -6.72 0.00 0.00 -1.94 -3.33 103.07 91.07 1uyy h GLY 44 Ca 0.04 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.76 1uyy h GLY 44 CO -0.00 0.00 -0.69 -1.30 0.00 0.00 0.00 176.54 174.55 1uyy n THR 45 N -2.67 1.00 -1.78 4.70 -2.24 -0.72 -5.07 114.28 107.50 1uyy n THR 45 Ca 0.01 -4.56 -0.38 0.00 -2.27 0.00 0.00 64.05 56.85 1uyy n THR 45 Cb 0.28 -2.04 0.04 0.00 -2.10 0.00 0.00 70.33 66.50 1uyy n THR 45 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1uyy s PRO 46 N -1.28 3.10 -0.07 -0.78 0.02 -1.25 -4.84 135.00 129.88 1uyy s PRO 46 Ca 0.30 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.57 1uyy s PRO 46 Cb 0.02 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1uyy s PRO 46 CO -0.15 -1.22 -0.17 0.08 -0.33 0.00 0.00 177.00 175.21 1uyy s VAL 47 N -1.31 2.74 -0.18 3.83 1.01 0.06 -4.91 120.40 121.65 1uyy s VAL 47 Ca 0.72 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1uyy s VAL 47 Cb -0.40 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1uyy s VAL 47 CO 0.47 0.57 0.43 0.21 0.00 0.00 0.00 175.10 176.78 1uyy s ASN 48 N -0.27 6.52 -0.30 3.32 3.84 -1.26 -0.50 114.94 126.29 1uyy s ASN 48 Ca 0.01 0.62 -0.10 0.00 0.21 0.00 0.00 52.86 53.59 1uyy s ASN 48 Cb -0.13 -2.25 -0.03 0.00 -0.55 0.00 0.00 41.25 38.29 1uyy s ASN 48 CO 0.03 -0.06 0.17 -0.63 -2.79 0.00 0.00 177.10 173.81 1uyy s ILE 49 N 1.12 4.92 0.15 -5.21 -1.09 -0.13 -4.96 121.20 116.00 1uyy s ILE 49 Ca 0.21 -0.14 0.22 0.00 -2.23 0.00 0.00 60.65 58.71 1uyy s ILE 49 Cb -0.15 -3.42 0.20 0.00 -1.58 0.00 0.00 42.46 37.51 1uyy s ILE 49 CO 0.08 0.16 1.80 1.55 -1.23 0.00 0.00 174.94 177.30 1uyy h PRO 50 N 8.36 0.00 -2.26 2.79 0.13 -1.91 0.17 132.00 139.28 1uyy h PRO 50 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1uyy h PRO 50 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1uyy h PRO 50 CO 0.59 0.27 0.06 -1.54 -0.23 0.00 0.00 178.00 177.16 1uyy s SER 51 N -6.28 -0.56 0.28 1.44 1.04 -1.26 -4.84 113.70 103.51 1uyy s SER 51 Ca 0.00 0.70 -0.29 0.00 0.48 0.00 0.00 55.95 56.84 1uyy s SER 51 Cb 0.10 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.77 1uyy s SER 51 CO 0.65 -0.50 1.29 -0.44 0.98 0.00 0.00 173.24 175.23 1uyy s SER 52 N -0.91 6.87 0.00 7.02 0.01 -1.26 -4.38 113.70 121.05 1uyy s SER 52 Ca -0.09 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1uyy s SER 52 Cb -0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1uyy s SER 52 CO 0.07 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1uyy n GLY 53 N 1.45 0.27 3.72 3.44 0.00 -0.55 -4.93 105.19 108.58 1uyy n GLY 53 Ca 0.02 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1uyy n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyy s SER 54 N -4.00 7.31 0.05 1.61 0.15 -1.26 -1.17 113.70 116.38 1uyy s SER 54 Ca 0.00 1.58 0.06 0.00 0.70 0.00 0.00 55.95 58.29 1uyy s SER 54 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1uyy s SER 54 CO 0.00 -0.18 -0.17 -0.31 1.20 0.00 0.00 173.24 173.78 1uyy s TYR 55 N 0.73 1.45 -0.25 3.44 1.51 -0.28 -3.72 117.35 120.23 1uyy s TYR 55 Ca 0.47 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 1uyy s TYR 55 Cb -0.21 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1uyy s TYR 55 CO 0.26 0.07 0.29 -1.17 -1.11 0.00 0.00 175.55 173.89 1uyy s LEU 56 N -1.23 4.09 -0.21 -1.29 2.96 -0.19 -1.59 118.68 121.20 1uyy s LEU 56 Ca 0.04 0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1uyy s LEU 56 Cb -0.08 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1uyy s LEU 56 CO 0.02 -0.06 0.04 -0.63 -1.32 0.00 0.00 176.35 174.39 1uyy s ILE 57 N 1.54 4.24 -0.00 6.68 -1.09 -0.02 -0.71 121.20 131.84 1uyy s ILE 57 Ca 0.13 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.36 1uyy s ILE 57 Cb -0.15 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1uyy s ILE 57 CO 0.08 0.40 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.54 1uyy s GLU 58 N 1.10 2.65 -0.06 2.79 2.02 0.28 -1.73 118.70 125.75 1uyy s GLU 58 Ca 0.03 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1uyy s GLU 58 Cb -0.14 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1uyy s GLU 58 CO 0.02 0.62 -0.10 0.71 0.02 0.00 0.00 175.26 176.53 1uyy s TYR 59 N -1.02 1.29 -0.45 1.61 1.51 0.07 -1.11 117.35 119.25 1uyy s TYR 59 Ca 0.18 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.58 1uyy s TYR 59 Cb -0.11 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1uyy s TYR 59 CO 0.08 -0.27 0.58 0.50 -1.11 0.00 0.00 175.55 175.33 1uyy s ARG 60 N 0.77 3.19 0.15 -0.62 6.06 -0.49 -1.23 118.95 126.77 1uyy s ARG 60 Ca -0.13 -0.60 0.06 0.00 -2.50 0.00 0.00 55.73 52.56 1uyy s ARG 60 Cb -0.15 -3.99 -0.04 0.00 0.06 0.00 0.00 34.95 30.83 1uyy s ARG 60 CO 0.02 -1.01 -0.13 0.14 -2.50 0.00 0.00 175.30 171.82 1uyy s VAL 61 N 2.58 1.38 0.01 7.11 -7.23 -0.22 -0.94 120.40 123.08 1uyy s VAL 61 Ca 0.18 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1uyy s VAL 61 Cb -0.16 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1uyy s VAL 61 CO 0.16 -0.54 -0.01 0.00 -0.31 0.00 0.00 175.10 174.40 1uyy s ALA 62 N -2.63 0.03 -0.23 1.32 0.00 -0.94 -1.37 121.76 117.93 1uyy s ALA 62 Ca 0.14 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1uyy s ALA 62 Cb -0.02 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.24 1uyy s ALA 62 CO 0.03 -0.07 0.54 0.45 0.00 0.00 0.00 175.76 176.71 1uyy s SER 63 N -0.61 -0.71 0.04 0.00 0.15 -1.17 -0.32 113.70 111.07 1uyy s SER 63 Ca -0.07 1.23 -0.21 0.00 0.70 0.00 0.00 55.95 57.60 1uyy s SER 63 Cb -0.04 1.33 -0.14 0.00 -1.71 0.00 0.00 66.02 65.45 1uyy s SER 63 CO -0.00 -0.22 1.37 -0.61 1.20 0.00 0.00 173.24 174.98 1uyy h GLN 64 N 7.42 0.30 -0.00 5.44 4.15 -1.71 0.28 115.11 130.99 1uyy h GLN 64 Ca -0.28 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1uyy h GLN 64 Cb 1.17 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1uyy h GLN 64 CO 0.19 0.65 -0.06 0.09 -1.93 0.00 0.00 178.83 177.77 1uyy n ASN 65 N -4.64 0.42 -0.22 -0.69 3.02 -1.26 -4.38 115.26 107.51 1uyy n ASN 65 Ca -0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1uyy n ASN 65 Cb 0.31 0.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1uyy n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uyy n GLY 66 N 0.75 -1.55 0.88 7.41 0.00 -1.26 -4.70 105.19 106.72 1uyy n GLY 66 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1uyy n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 67 N 0.00 0.81 3.88 -0.02 0.00 -1.24 -4.81 105.19 103.81 1uyy n GLY 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1uyy n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyy s GLY 68 N -1.78 1.61 0.02 -0.02 0.00 -1.20 -4.76 107.32 101.19 1uyy s GLY 68 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.21 1uyy s GLY 68 CO 0.00 -0.02 0.54 -1.35 0.00 0.00 0.00 173.10 172.27 1uyy s SER 69 N -4.20 -0.47 0.15 1.64 1.04 -1.03 -1.12 113.70 109.72 1uyy s SER 69 Ca 0.53 0.29 0.02 0.00 0.48 0.00 0.00 55.95 57.28 1uyy s SER 69 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1uyy s SER 69 CO 0.51 -0.67 -0.03 -1.48 0.98 0.00 0.00 173.24 172.55 1uyy s LEU 70 N -1.72 2.30 -0.13 2.42 0.05 -0.71 -1.41 118.68 119.48 1uyy s LEU 70 Ca -0.07 -1.10 0.02 0.00 0.05 0.00 0.00 54.13 53.03 1uyy s LEU 70 Cb -0.01 -0.11 0.00 0.00 -2.05 0.00 0.00 46.19 44.03 1uyy s LEU 70 CO 0.02 -0.50 -0.20 -0.89 -0.55 0.00 0.00 176.35 174.22 1uyy s THR 71 N -3.60 2.31 -0.20 5.48 2.01 0.22 -1.87 115.64 119.99 1uyy s THR 71 Ca 0.19 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1uyy s THR 71 Cb 0.05 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1uyy s THR 71 CO 0.01 0.54 0.15 0.12 -0.69 0.00 0.00 174.62 174.75 1uyy s PHE 72 N 0.59 3.41 0.34 4.92 5.36 0.47 -1.19 117.98 131.89 1uyy s PHE 72 Ca -0.11 0.35 -0.10 0.00 -0.96 0.00 0.00 56.93 56.11 1uyy s PHE 72 Cb -0.16 -2.18 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 1uyy s PHE 72 CO 0.03 0.27 0.63 -0.85 -1.46 0.00 0.00 175.22 173.85 1uyy n GLU 73 N 3.56 0.91 -2.89 10.12 0.28 -0.59 -0.59 120.64 131.43 1uyy n GLU 73 Ca -0.16 -2.16 -0.38 0.00 -0.16 0.00 0.00 57.16 54.31 1uyy n GLU 73 Cb 0.52 2.48 -0.06 0.00 1.43 0.00 0.00 31.44 35.81 1uyy n GLU 73 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1uyy s GLU 74 N -2.27 4.56 0.13 3.44 2.56 -0.67 -0.83 118.70 125.62 1uyy s GLU 74 Ca 0.18 1.22 -0.35 0.00 0.00 0.00 0.00 54.97 56.02 1uyy s GLU 74 Cb -0.03 -3.02 -0.16 0.00 2.00 0.00 0.00 34.13 32.92 1uyy s GLU 74 CO 0.13 0.42 1.37 0.00 -0.56 0.00 0.00 175.26 176.62 1uyy n ALA 75 N 1.03 -0.21 0.00 6.30 0.00 0.80 -1.48 120.51 126.95 1uyy n ALA 75 Ca -0.02 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1uyy n ALA 75 Cb 0.49 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1uyy n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyy n GLY 76 N 2.60 2.82 0.00 0.00 0.00 -1.26 -4.64 105.19 104.71 1uyy n GLY 76 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1uyy n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 77 N -0.99 2.24 3.30 -0.02 0.00 -0.55 -5.10 105.19 104.07 1uyy n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uyy n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uyy s ALA 78 N -2.04 -1.00 0.59 4.61 0.00 -1.23 -4.23 121.76 118.46 1uyy s ALA 78 Ca 0.00 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 1uyy s ALA 78 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1uyy s ALA 78 CO 0.00 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 1uyy s PRO 79 N -0.59 3.18 0.04 0.00 0.04 -1.26 -4.58 135.00 131.83 1uyy s PRO 79 Ca -0.07 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1uyy s PRO 79 Cb -0.04 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1uyy s PRO 79 CO 0.03 -0.95 0.79 0.08 0.04 0.00 0.00 177.00 176.99 1uyy s VAL 80 N -2.19 4.74 -0.20 -0.36 1.01 -1.26 -1.68 120.40 120.46 1uyy s VAL 80 Ca 0.67 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 64.33 1uyy s VAL 80 Cb -0.20 -4.14 -0.21 0.00 0.00 0.00 0.00 36.38 31.84 1uyy s VAL 80 CO 0.34 0.34 0.03 1.41 0.00 0.00 0.00 175.10 177.23 1uyy n HIS 81 N 2.92 0.50 -3.66 5.22 -0.00 0.24 -4.97 115.22 115.47 1uyy n HIS 81 Ca -0.02 0.11 0.04 0.00 -0.00 0.00 0.00 57.72 57.85 1uyy n HIS 81 Cb 0.50 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 1uyy n HIS 81 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uyy s GLY 82 N -6.08 -0.43 0.16 -1.41 0.00 -0.87 -4.60 107.32 94.10 1uyy s GLY 82 Ca -0.28 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1uyy s GLY 82 CO 0.68 1.47 -0.14 -0.51 0.00 0.00 0.00 173.10 174.60 1uyy s THR 83 N -2.09 1.49 -0.17 0.90 -4.23 -1.26 -0.39 115.64 109.89 1uyy s THR 83 Ca 0.18 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.53 1uyy s THR 83 Cb 0.06 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 72.10 1uyy s THR 83 CO -0.05 -0.56 0.45 -0.51 -0.54 0.00 0.00 174.62 173.40 1uyy s ILE 84 N -2.76 -0.01 0.29 2.99 2.07 -0.78 -5.01 121.20 117.99 1uyy s ILE 84 Ca 0.17 0.02 -0.25 0.00 -1.41 0.00 0.00 60.65 59.18 1uyy s ILE 84 Cb -0.01 -0.64 -0.09 0.00 0.13 0.00 0.00 42.46 41.85 1uyy s ILE 84 CO 0.04 0.01 0.89 0.00 -1.91 0.00 0.00 174.94 173.97 1uyy s ALA 85 N 0.52 3.28 -0.28 1.50 0.00 -1.26 -1.74 121.76 123.78 1uyy s ALA 85 Ca -0.02 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1uyy s ALA 85 Cb -0.04 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1uyy s ALA 85 CO -0.03 0.22 0.01 0.42 0.00 0.00 0.00 175.76 176.38 1uyy s ILE 86 N -1.54 3.37 0.67 0.00 1.01 -0.28 -4.96 121.20 119.48 1uyy s ILE 86 Ca 0.47 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1uyy s ILE 86 Cb -0.19 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1uyy s ILE 86 CO 0.24 0.08 1.05 -2.16 0.00 0.00 0.00 174.94 174.15 1uyy s PRO 87 N 1.39 3.18 0.32 2.79 0.04 -1.26 -3.53 135.00 137.92 1uyy s PRO 87 Ca 0.00 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1uyy s PRO 87 Cb -0.18 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1uyy s PRO 87 CO -0.01 -0.91 1.44 0.00 0.04 0.00 0.00 177.00 177.56 1uyy s ALA 88 N -3.10 3.59 -0.41 8.56 0.00 -1.26 -4.49 121.76 124.66 1uyy s ALA 88 Ca 0.57 1.41 0.07 0.00 0.00 0.00 0.00 51.96 54.02 1uyy s ALA 88 Cb -0.13 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1uyy s ALA 88 CO 0.55 -0.84 0.35 0.25 0.00 0.00 0.00 175.76 176.07 1uyy n THR 89 N 1.32 0.00 0.00 0.00 -2.24 0.08 -4.92 114.28 108.51 1uyy n THR 89 Ca 0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1uyy n THR 89 Cb 0.40 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1uyy n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uyy n GLY 90 N 1.09 1.51 0.00 3.38 0.00 -1.14 -4.85 105.19 105.18 1uyy n GLY 90 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1uyy n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 91 N -0.96 0.80 0.28 -0.02 0.00 -1.22 -4.89 105.19 99.18 1uyy n GLY 91 Ca 0.00 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.41 1uyy n GLY 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uyy h TRP 92 N 0.00 0.00 -0.09 1.61 -0.00 -1.90 -2.68 115.95 112.88 1uyy h TRP 92 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.78 1uyy h TRP 92 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.16 29.01 1uyy h TRP 92 CO 0.00 0.06 -0.68 1.04 -0.00 0.00 0.00 178.44 178.86 1uyy n GLN 93 N -3.29 1.45 -3.70 0.49 1.13 -1.26 -4.73 117.38 107.47 1uyy n GLN 93 Ca -0.01 -3.12 -0.38 0.00 -1.94 0.00 0.00 57.00 51.55 1uyy n GLN 93 Cb 0.24 -1.33 -0.12 0.00 0.11 0.00 0.00 30.24 29.14 1uyy n GLN 93 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1uyy s THR 94 N -2.68 4.24 -0.05 5.09 2.01 -1.02 -4.77 115.64 118.46 1uyy s THR 94 Ca 0.38 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1uyy s THR 94 Cb 0.38 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1uyy s THR 94 CO -0.08 -0.03 0.02 0.26 -0.69 0.00 0.00 174.62 174.10 1uyy s TRP 95 N 1.53 3.17 0.09 4.92 0.52 -1.26 -4.33 118.94 123.58 1uyy s TRP 95 Ca 0.02 0.17 -0.07 0.00 0.02 0.00 0.00 56.10 56.24 1uyy s TRP 95 Cb -0.18 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1uyy s TRP 95 CO 0.04 0.49 0.16 -0.08 0.02 0.00 0.00 176.95 177.58 1uyy s THR 96 N -1.00 0.15 -0.21 2.01 -1.32 -0.47 -4.99 115.64 109.81 1uyy s THR 96 Ca 0.17 -1.34 -0.05 0.00 -1.21 0.00 0.00 61.69 59.26 1uyy s THR 96 Cb -0.11 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 1uyy s THR 96 CO 0.06 -0.66 0.00 -0.89 -2.21 0.00 0.00 174.62 170.92 1uyy s THR 97 N -3.89 3.90 0.32 5.08 2.01 -1.26 -1.06 115.64 120.73 1uyy s THR 97 Ca 0.07 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1uyy s THR 97 Cb 0.05 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1uyy s THR 97 CO -0.09 0.42 0.12 0.27 -0.69 0.00 0.00 174.62 174.65 1uyy s ILE 98 N 1.14 3.26 0.03 1.82 -4.36 -0.37 -4.94 121.20 117.78 1uyy s ILE 98 Ca 0.03 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 58.52 1uyy s ILE 98 Cb -0.14 -3.00 0.04 0.00 1.25 0.00 0.00 42.46 40.61 1uyy s ILE 98 CO 0.01 -0.24 0.45 0.00 0.24 0.00 0.00 174.94 175.41 1uyy s GLN 99 N -3.82 0.94 0.25 0.37 -2.07 -1.26 -0.76 119.66 113.32 1uyy s GLN 99 Ca 0.36 -0.26 -0.09 0.00 -1.82 0.00 0.00 55.36 53.56 1uyy s GLN 99 Cb -0.04 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1uyy s GLN 99 CO 0.22 -0.32 0.40 -3.38 -1.32 0.00 0.00 175.29 170.89 1uyy s HIS 100 N -2.25 0.65 0.08 9.60 -3.43 -0.70 -5.00 115.29 114.24 1uyy s HIS 100 Ca -0.07 -0.96 0.04 0.00 -0.80 0.00 0.00 55.06 53.27 1uyy s HIS 100 Cb -0.01 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 1uyy s HIS 100 CO -0.01 -0.94 0.04 0.95 -2.00 0.00 0.00 174.74 172.79 1uyy s THR 101 N -3.89 4.31 0.05 -5.38 -4.23 -1.26 -0.84 115.64 104.40 1uyy s THR 101 Ca 0.27 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1uyy s THR 101 Cb 0.01 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1uyy s THR 101 CO 0.11 0.13 0.01 0.68 -0.54 0.00 0.00 174.62 175.01 1uyy s VAL 102 N -1.35 0.20 -0.01 2.29 -7.23 -0.62 -4.93 120.40 108.74 1uyy s VAL 102 Ca 0.28 -1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 1uyy s VAL 102 Cb -0.12 -1.37 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 1uyy s VAL 102 CO 0.20 -0.89 0.52 0.21 -0.31 0.00 0.00 175.10 174.83 1uyy s ASN 103 N -2.76 6.90 -0.02 4.85 2.47 -1.26 -1.12 114.94 123.99 1uyy s ASN 103 Ca 0.04 1.07 0.04 0.00 0.42 0.00 0.00 52.86 54.43 1uyy s ASN 103 Cb 0.06 -2.32 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1uyy s ASN 103 CO -0.09 0.18 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.59 1uyy s LEU 104 N -0.46 1.95 0.51 3.21 1.43 -0.32 -4.93 118.68 120.06 1uyy s LEU 104 Ca 0.28 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 1uyy s LEU 104 Cb -0.18 -0.65 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 1uyy s LEU 104 CO 0.15 0.13 1.04 -0.94 0.23 0.00 0.00 176.35 176.97 1uyy s SER 105 N -0.12 6.22 0.55 2.29 1.04 -1.26 -1.49 113.70 120.92 1uyy s SER 105 Ca 0.02 1.91 -0.21 0.00 0.48 0.00 0.00 55.95 58.15 1uyy s SER 105 Cb -0.07 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 1uyy s SER 105 CO 0.00 -0.87 1.29 0.00 0.98 0.00 0.00 173.24 174.65 1uyy s ALA 106 N -2.07 2.76 0.00 5.32 0.00 -1.26 -4.75 121.76 121.76 1uyy s ALA 106 Ca 0.67 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1uyy s ALA 106 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1uyy s ALA 106 CO 0.24 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1uyy n GLY 107 N 0.66 0.11 3.71 0.00 0.00 0.05 -4.94 105.19 104.77 1uyy n GLY 107 Ca 0.11 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1uyy n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyy s SER 108 N -4.00 7.14 0.04 1.61 0.15 -1.26 -0.95 113.70 116.43 1uyy s SER 108 Ca 0.00 1.38 0.07 0.00 0.70 0.00 0.00 55.95 58.10 1uyy s SER 108 Cb 0.00 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 1uyy s SER 108 CO 0.00 -0.22 -0.19 -1.00 1.20 0.00 0.00 173.24 173.03 1uyy s HIS 109 N 1.11 2.53 -0.33 3.44 4.02 0.34 -4.95 115.29 121.46 1uyy s HIS 109 Ca 0.44 -0.27 -0.00 0.00 1.02 0.00 0.00 55.06 56.24 1uyy s HIS 109 Cb -0.19 -1.46 0.07 0.00 -1.02 0.00 0.00 32.58 29.99 1uyy s HIS 109 CO 0.21 0.24 0.04 -0.65 1.02 0.00 0.00 174.74 175.60 1uyy s GLN 110 N -1.40 2.13 0.39 1.40 -0.21 -1.26 -0.76 119.66 119.94 1uyy s GLN 110 Ca 0.14 -1.52 -0.07 0.00 0.02 0.00 0.00 55.36 53.94 1uyy s GLN 110 Cb -0.10 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1uyy s GLN 110 CO 0.05 -0.78 0.69 -0.06 -2.12 0.00 0.00 175.29 173.08 1uyy s PHE 111 N 1.14 3.50 0.07 0.91 2.99 -1.26 -0.14 117.98 125.19 1uyy s PHE 111 Ca 0.00 0.81 -0.08 0.00 0.00 0.00 0.00 56.93 57.67 1uyy s PHE 111 Cb -0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 43.02 40.55 1uyy s PHE 111 CO -0.04 -0.05 0.16 0.20 -0.00 0.00 0.00 175.22 175.49 1uyy s GLY 112 N -3.47 0.13 -0.08 4.36 0.00 -0.01 -0.78 107.32 107.47 1uyy s GLY 112 Ca 0.47 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1uyy s GLY 112 CO 0.35 -0.78 -0.14 -0.42 0.00 0.00 0.00 173.10 172.10 1uyy s ILE 113 N -3.50 1.33 -0.16 0.90 1.01 -0.02 -1.55 121.20 119.22 1uyy s ILE 113 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1uyy s ILE 113 Cb 0.04 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1uyy s ILE 113 CO -0.09 0.40 -0.10 -0.75 0.00 0.00 0.00 174.94 174.41 1uyy s LYS 114 N 0.68 3.43 -0.24 2.79 2.47 -0.33 -0.95 119.74 127.58 1uyy s LYS 114 Ca -0.14 -0.64 -0.27 0.00 -1.56 0.00 0.00 55.97 53.35 1uyy s LYS 114 Cb -0.16 -2.77 0.01 0.00 -1.46 0.00 0.00 37.83 33.45 1uyy s LYS 114 CO 0.04 0.12 0.97 0.00 0.16 0.00 0.00 175.35 176.63 1uyy s ALA 115 N 0.63 3.66 0.01 3.13 0.00 -0.14 -0.61 121.76 128.43 1uyy s ALA 115 Ca -0.06 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1uyy s ALA 115 Cb -0.15 -3.47 -0.22 0.00 0.00 0.00 0.00 23.12 19.28 1uyy s ALA 115 CO 0.03 -1.05 0.88 -0.91 0.00 0.00 0.00 175.76 174.71 1uyy h ASN 116 N 7.60 0.00 -4.19 0.00 2.35 -1.55 -1.38 115.58 118.41 1uyy h ASN 116 Ca -0.21 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.40 1uyy h ASN 116 Cb 1.07 -0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.21 1uyy h ASN 116 CO 0.95 1.01 -0.33 0.00 -1.65 0.00 0.00 177.43 177.40 1uyy s ALA 117 N -2.64 -0.77 0.69 -0.83 0.00 -1.13 -4.56 121.76 112.53 1uyy s ALA 117 Ca -0.03 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1uyy s ALA 117 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1uyy s ALA 117 CO 0.82 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1uyy n GLY 118 N 2.42 0.04 0.00 0.00 0.00 -1.26 -2.45 105.19 103.94 1uyy n GLY 118 Ca -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1uyy n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyy n GLY 119 N 5.00 1.08 3.15 -0.02 0.00 -1.17 -3.27 105.19 109.96 1uyy n GLY 119 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uyy n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uyy s TRP 120 N -2.00 0.30 0.18 1.61 1.48 -1.26 -4.08 118.94 115.17 1uyy s TRP 120 Ca 0.00 -0.75 0.08 0.00 -1.06 0.00 0.00 56.10 54.37 1uyy s TRP 120 Cb 0.00 -0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 32.07 1uyy s TRP 120 CO 0.00 -0.46 -0.03 -0.80 -4.06 0.00 0.00 176.95 171.61 1uyy s ASN 121 N -2.78 4.62 -0.07 -2.66 0.02 0.57 -4.30 114.94 110.34 1uyy s ASN 121 Ca 0.04 -0.46 -0.00 0.00 -1.02 0.00 0.00 52.86 51.42 1uyy s ASN 121 Cb 0.05 -0.93 0.02 0.00 0.02 0.00 0.00 41.25 40.42 1uyy s ASN 121 CO -0.10 0.09 -0.04 -0.22 0.02 0.00 0.00 177.10 176.85 1uyy s LEU 122 N -2.96 1.01 -0.21 0.60 2.96 -0.70 -2.22 118.68 117.15 1uyy s LEU 122 Ca 0.27 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1uyy s LEU 122 Cb -0.09 -0.56 -0.15 0.00 0.50 0.00 0.00 46.19 45.89 1uyy s LEU 122 CO 0.18 -0.12 0.05 -3.20 -1.32 0.00 0.00 176.35 171.94 1uyy n ASN 123 N 4.68 1.87 -3.79 3.68 5.15 -0.11 -0.56 115.26 126.18 1uyy n ASN 123 Ca -0.15 0.43 -0.08 0.00 -0.60 0.00 0.00 54.58 54.18 1uyy n ASN 123 Cb 0.50 -0.92 -0.02 0.00 -0.53 0.00 0.00 39.78 38.81 1uyy n ASN 123 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1uyy s TRP 124 N -2.39 -0.20 0.06 1.20 1.48 -1.25 -1.18 118.94 116.66 1uyy s TRP 124 Ca -0.29 -0.20 0.06 0.00 -1.06 0.00 0.00 56.10 54.61 1uyy s TRP 124 Cb 0.07 0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 32.97 1uyy s TRP 124 CO 0.52 -1.13 -0.18 0.42 -4.06 0.00 0.00 176.95 172.53 1uyy s ILE 125 N -3.90 1.44 -0.02 0.66 1.09 0.05 -1.39 121.20 119.13 1uyy s ILE 125 Ca 0.10 -1.24 0.01 0.00 -1.10 0.00 0.00 60.65 58.42 1uyy s ILE 125 Cb -0.04 -1.29 0.01 0.00 -1.06 0.00 0.00 42.46 40.08 1uyy s ILE 125 CO 0.03 0.02 -0.03 -0.60 -0.10 0.00 0.00 174.94 174.27 1uyy s ARG 126 N -1.42 0.37 -0.17 2.79 3.52 -0.26 -0.68 118.95 123.10 1uyy s ARG 126 Ca 0.04 -0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.54 1uyy s ARG 126 Cb -0.09 -0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 1uyy s ARG 126 CO 0.02 -0.02 -0.02 0.42 -0.81 0.00 0.00 175.30 174.89 1uyy s ILE 127 N 0.44 3.94 0.05 4.11 1.01 -0.09 -0.56 121.20 130.10 1uyy s ILE 127 Ca -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1uyy s ILE 127 Cb -0.08 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1uyy s ILE 127 CO -0.01 0.47 -0.15 0.20 0.00 0.00 0.00 174.94 175.45 1uyy s ASN 128 N 0.57 1.84 0.70 3.58 0.01 0.12 -0.53 114.94 121.23 1uyy s ASN 128 Ca -0.02 -0.51 -0.15 0.00 -0.71 0.00 0.00 52.86 51.47 1uyy s ASN 128 Cb -0.14 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.43 1uyy s ASN 128 CO 0.02 0.03 1.16 -0.54 -1.51 0.00 0.00 177.10 176.26 1uyy s LYS 129 N -1.30 2.41 -0.01 -0.60 1.02 0.03 -1.02 119.74 120.26 1uyy s LYS 129 Ca 0.02 1.57 0.11 0.00 0.02 0.00 0.00 55.97 57.69 1uyy s LYS 129 Cb -0.08 -1.89 -0.14 0.00 -0.52 0.00 0.00 37.83 35.20 1uyy s LYS 129 CO 0.02 -1.59 0.34 0.25 -0.92 0.00 0.00 175.35 173.45 1uyy n THR 130 N -2.64 0.00 -0.47 2.17 -2.24 -1.24 -4.62 114.28 105.24 1uyy n THR 130 Ca 0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1uyy n THR 130 Cb 0.51 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1uyy n THR 130 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07