#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 4.86 -0.15 1.12 1.01 -1.26 -1.24 120.40 124.74 1uyy s VAL 2 Ca 0.00 1.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.78 1uyy s VAL 2 Cb 0.00 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 1uyy s VAL 2 CO 0.00 0.11 0.39 0.40 0.00 0.00 0.00 175.10 176.01 1uyy h ILE 3 N 4.91 0.93 -2.05 2.22 1.08 -1.20 -3.48 117.51 119.92 1uyy h ILE 3 Ca -0.37 -2.30 -0.05 0.00 -0.39 0.00 0.00 64.86 61.75 1uyy h ILE 3 Cb 1.19 2.51 -0.21 0.00 -3.07 0.00 0.00 36.82 37.25 1uyy h ILE 3 CO 0.79 0.59 0.13 0.00 -0.69 0.00 0.00 178.15 178.97 1uyy s ALA 4 N -2.44 -1.73 -0.12 1.87 0.00 -1.13 -4.94 121.76 113.27 1uyy s ALA 4 Ca -0.24 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.48 1uyy s ALA 4 Cb 0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1uyy s ALA 4 CO 0.70 -0.34 -0.15 0.99 0.00 0.00 0.00 175.76 176.96 1uyy s THR 5 N -0.13 2.91 -0.15 0.00 2.01 -1.26 -1.08 115.64 117.93 1uyy s THR 5 Ca -0.04 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1uyy s THR 5 Cb -0.03 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.31 1uyy s THR 5 CO 0.04 0.53 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.81 1uyy s ILE 6 N 0.33 1.06 0.16 1.82 1.01 0.01 -5.01 121.20 120.57 1uyy s ILE 6 Ca -0.12 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1uyy s ILE 6 Cb -0.16 -1.20 -0.08 0.00 0.01 0.00 0.00 42.46 41.02 1uyy s ILE 6 CO 0.06 0.18 1.28 -1.10 0.00 0.00 0.00 174.94 175.36 1uyy s GLN 7 N 1.67 4.41 0.45 2.79 -1.52 -1.26 -0.56 119.66 125.63 1uyy s GLN 7 Ca 0.02 1.97 0.11 0.00 -1.95 0.00 0.00 55.36 55.51 1uyy s GLN 7 Cb -0.15 -3.24 1.00 0.00 -0.22 0.00 0.00 33.01 30.41 1uyy s GLN 7 CO -0.08 -0.24 2.05 0.00 -0.25 0.00 0.00 175.29 176.78 1uyy h ALA 8 N 5.77 1.76 0.00 6.09 0.00 -1.49 -1.04 119.26 130.35 1uyy h ALA 8 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1uyy h ALA 8 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uyy h ALA 8 CO 0.79 0.19 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 1uyy n GLU 9 N -4.44 0.08 -1.09 0.00 0.00 -1.26 -3.90 120.64 110.03 1uyy n GLU 9 Ca -0.00 0.22 -0.20 0.00 0.00 0.00 0.00 57.16 57.17 1uyy n GLU 9 Cb 0.13 -1.63 0.01 0.00 0.00 0.00 0.00 31.44 29.95 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 -1.78 6.50 -4.78 -1.84 8.00 -0.39 -4.93 116.55 117.33 1uyy n ASP 10 Ca 0.04 -3.13 -0.38 0.00 0.71 0.00 0.00 54.79 52.04 1uyy n ASP 10 Cb 0.27 -1.12 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 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 -1.81 3.79 -0.00 1.24 -3.43 -1.25 -4.89 115.29 108.93 1uyy s HIS 11 Ca 0.41 1.69 0.11 0.00 -0.80 0.00 0.00 55.06 56.47 1uyy s HIS 11 Cb 0.30 -2.83 -0.07 0.00 -1.43 0.00 0.00 32.58 28.55 1uyy s HIS 11 CO -0.07 0.35 1.37 0.66 -2.00 0.00 0.00 174.74 175.05 1uyy h SER 12 N 3.66 0.00 -5.13 7.38 4.64 -1.40 -3.47 113.55 119.23 1uyy h SER 12 Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 1uyy h SER 12 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 1uyy h SER 12 CO 0.66 0.76 -0.45 -1.10 -0.87 0.00 0.00 176.83 175.83 1uyy s GLN 13 N -2.85 0.72 0.28 4.77 1.11 -1.19 -4.99 119.66 117.51 1uyy s GLN 13 Ca 0.02 -0.87 -0.20 0.00 0.01 0.00 0.00 55.36 54.32 1uyy s GLN 13 Cb 0.09 0.29 0.02 0.00 -1.01 0.00 0.00 33.01 32.39 1uyy s GLN 13 CO 0.78 -0.20 0.70 1.14 0.01 0.00 0.00 175.29 177.72 1uyy s GLN 14 N -3.28 1.79 -0.06 2.91 1.03 -1.26 -0.65 119.66 120.13 1uyy s GLN 14 Ca 0.01 -1.04 -0.03 0.00 0.04 0.00 0.00 55.36 54.34 1uyy s GLN 14 Cb 0.03 0.60 0.04 0.00 0.03 0.00 0.00 33.01 33.70 1uyy s GLN 14 CO -0.08 -0.81 0.14 0.45 -2.54 0.00 0.00 175.29 172.45 1uyy s SER 15 N -2.94 0.08 0.00 12.60 0.15 -0.43 -4.96 113.70 118.20 1uyy s SER 15 Ca 0.12 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1uyy s SER 15 Cb -0.05 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1uyy s SER 15 CO 0.07 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1uyy n GLY 16 N 4.42 1.20 3.80 9.45 0.00 -1.26 -2.22 105.19 120.59 1uyy n GLY 16 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 3.45 -0.03 2.61 -4.23 -1.26 -4.72 115.64 108.52 1uyy s THR 17 Ca 0.00 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1uyy s THR 17 Cb 0.00 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1uyy s THR 17 CO 0.00 -0.20 -0.25 -1.58 -0.54 0.00 0.00 174.62 172.05 1uyy s GLN 18 N -3.92 2.24 0.06 3.99 0.74 -0.46 -4.96 119.66 117.35 1uyy s GLN 18 Ca 0.39 -0.91 -0.24 0.00 0.05 0.00 0.00 55.36 54.64 1uyy s GLN 18 Cb -0.05 -2.09 -0.06 0.00 1.10 0.00 0.00 33.01 31.91 1uyy s GLN 18 CO 0.25 0.52 0.74 -1.14 -0.55 0.00 0.00 175.29 175.10 1uyy s GLN 19 N -0.50 4.47 0.11 1.67 0.74 -1.26 -0.36 119.66 124.53 1uyy s GLN 19 Ca 0.07 1.02 -0.10 0.00 0.05 0.00 0.00 55.36 56.40 1uyy s GLN 19 Cb -0.11 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1uyy s GLN 19 CO 0.00 0.35 0.24 -1.83 -0.55 0.00 0.00 175.29 173.50 1uyy s GLU 20 N -0.27 0.94 0.24 1.67 -1.05 -0.57 -4.95 118.70 114.72 1uyy s GLU 20 Ca 0.37 -0.98 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 1uyy s GLU 20 Cb -0.21 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 1uyy s GLU 20 CO 0.23 -0.32 1.26 0.99 0.95 0.00 0.00 175.26 178.37 1uyy s THR 21 N -3.88 3.16 0.05 1.83 2.01 -1.26 -0.59 115.64 116.96 1uyy s THR 21 Ca 0.07 1.04 0.03 0.00 0.31 0.00 0.00 61.69 63.15 1uyy s THR 21 Cb 0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1uyy s THR 21 CO -0.09 0.19 -0.00 0.28 -0.69 0.00 0.00 174.62 174.31 1uyy s THR 22 N -0.43 4.05 -1.50 -0.82 -1.32 -0.88 -4.69 115.64 110.05 1uyy s THR 22 Ca 0.52 -0.83 0.18 0.00 -1.21 0.00 0.00 61.69 60.35 1uyy s THR 22 Cb -0.36 -2.87 0.55 0.00 -1.51 0.00 0.00 72.50 68.31 1uyy s THR 22 CO 0.42 0.23 1.46 0.35 -2.21 0.00 0.00 174.62 174.88 1uyy n THR 23 N 0.93 1.14 -0.76 5.08 -2.24 -1.26 -4.12 114.28 113.05 1uyy n THR 23 Ca -0.12 -1.05 -0.30 0.00 -2.27 0.00 0.00 64.05 60.30 1uyy n THR 23 Cb 0.52 0.43 0.18 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.68 0.06 3.42 2.15 -1.26 -4.82 116.67 117.88 1uyy s ASP 24 Ca 0.41 1.94 -0.36 0.00 0.43 0.00 0.00 52.55 54.97 1uyy s ASP 24 Cb 0.23 -2.47 -0.16 0.00 -0.30 0.00 0.00 42.92 40.22 1uyy s ASP 24 CO 0.26 -3.21 1.47 0.41 -0.17 0.00 0.00 175.17 173.93 1uyy n THR 25 N -4.29 0.06 0.00 1.71 -1.04 -1.26 -1.07 114.28 108.39 1uyy n THR 25 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1uyy n THR 25 Cb 0.53 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 3.03 0.98 7.00 3.41 0.00 -1.26 -4.98 105.19 113.37 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 1.42 3.03 -0.02 0.00 -0.23 -4.98 105.19 102.40 1uyy n GLY 27 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.74 3.27 -0.02 0.00 -1.26 -4.82 105.19 103.10 1uyy n GLY 28 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 1.09 0.27 1.61 -0.14 -1.26 -2.07 119.74 119.23 1uyy s LYS 29 Ca 0.00 -1.28 0.06 0.00 -1.36 0.00 0.00 55.97 53.39 1uyy s LYS 29 Cb 0.00 -1.03 -0.06 0.00 -1.68 0.00 0.00 37.83 35.06 1uyy s LYS 29 CO 0.00 0.20 -0.05 0.54 -0.76 0.00 0.00 175.35 175.29 1uyy s ASN 30 N -2.48 2.55 -0.03 2.83 2.20 0.24 -4.72 114.94 115.53 1uyy s ASN 30 Ca 0.10 -1.20 -0.17 0.00 -0.94 0.00 0.00 52.86 50.66 1uyy s ASN 30 Cb -0.05 -0.13 -0.05 0.00 -2.00 0.00 0.00 41.25 39.02 1uyy s ASN 30 CO 0.04 -0.38 0.48 -0.69 -2.94 0.00 0.00 177.10 173.61 1uyy s VAL 31 N -3.10 5.03 0.08 3.54 1.01 0.07 -1.52 120.40 125.51 1uyy s VAL 31 Ca 0.29 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1uyy s VAL 31 Cb 0.04 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1uyy s VAL 31 CO 0.11 0.46 0.06 0.61 0.00 0.00 0.00 175.10 176.34 1uyy n GLY 32 N 2.42 3.79 3.92 4.51 0.00 0.51 -1.61 105.19 118.73 1uyy n GLY 32 Ca -0.10 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.15 -1.67 -3.28 1.61 4.02 -1.26 -1.36 117.16 115.07 1uyy n TYR 33 Ca 0.01 0.65 -0.39 0.00 -0.01 0.00 0.00 57.90 58.17 1uyy n TYR 33 Cb 0.14 -3.60 -0.06 0.00 -0.02 0.00 0.00 39.34 35.79 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 -3.86 5.15 0.24 -0.72 1.01 -1.26 -4.36 121.20 117.40 1uyy s ILE 34 Ca 0.12 0.94 0.10 0.00 0.00 0.00 0.00 60.65 61.81 1uyy s ILE 34 Cb -0.05 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1uyy s ILE 34 CO 0.89 0.25 -0.19 -1.81 0.00 0.00 0.00 174.94 174.08 1uyy s ASP 35 N 0.91 3.21 0.09 3.58 1.01 -1.26 -2.29 116.67 121.92 1uyy s ASP 35 Ca 0.25 -0.99 -0.36 0.00 0.71 0.00 0.00 52.55 52.16 1uyy s ASP 35 Cb -0.15 -0.24 -0.15 0.00 1.01 0.00 0.00 42.92 43.39 1uyy s ASP 35 CO 0.10 -0.01 1.49 0.00 0.21 0.00 0.00 175.17 176.95 1uyy n ALA 36 N -0.37 0.16 0.00 5.23 0.00 -1.26 -1.41 120.51 122.85 1uyy n ALA 36 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1uyy n ALA 36 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 3.08 2.52 3.76 0.00 0.00 -0.22 -4.98 105.19 109.36 1uyy n GLY 37 Ca 0.18 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 -1.31 4.77 0.19 1.61 1.01 -0.50 -4.82 116.67 117.62 1uyy s ASP 38 Ca 0.00 2.02 -0.15 0.00 0.71 0.00 0.00 52.55 55.12 1uyy s ASP 38 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1uyy s ASP 38 CO 0.00 -1.86 0.46 -1.66 0.21 0.00 0.00 175.17 172.33 1uyy s TRP 39 N -2.42 -0.00 -0.03 4.23 1.48 -0.94 -1.10 118.94 120.16 1uyy s TRP 39 Ca 0.67 -0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.38 1uyy s TRP 39 Cb -0.21 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.40 1uyy s TRP 39 CO 0.46 -0.86 -0.05 -0.51 -4.06 0.00 0.00 176.95 171.92 1uyy s LEU 40 N -2.89 1.62 -0.04 -4.66 1.43 -0.13 -1.32 118.68 112.70 1uyy s LEU 40 Ca 0.11 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1uyy s LEU 40 Cb 0.00 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1uyy s LEU 40 CO -0.02 0.00 -0.26 -0.55 0.23 0.00 0.00 176.35 175.75 1uyy s SER 41 N 0.44 3.06 -0.26 2.29 0.15 0.18 -1.09 113.70 118.47 1uyy s SER 41 Ca -0.05 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.20 1uyy s SER 41 Cb -0.09 -0.58 0.45 0.00 -1.71 0.00 0.00 66.02 64.10 1uyy s SER 41 CO -0.00 0.28 1.31 -1.22 1.20 0.00 0.00 173.24 174.82 1uyy n TYR 42 N 2.68 0.84 0.24 3.44 4.02 0.01 -0.98 117.16 127.41 1uyy n TYR 42 Ca -0.17 -1.68 0.08 0.00 -0.01 0.00 0.00 57.90 56.12 1uyy n TYR 42 Cb 0.51 -0.37 0.61 0.00 -0.02 0.00 0.00 39.34 40.07 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 1.20 1.56 0.00 -0.72 0.00 -1.88 -2.27 119.26 117.16 1uyy h ALA 43 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uyy h ALA 43 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1uyy h ALA 43 CO 0.28 0.18 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1uyy h GLY 44 N 0.58 0.00 -6.63 0.00 0.00 -1.94 -3.32 103.07 91.75 1uyy h GLY 44 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1uyy h GLY 44 CO 0.02 0.00 -0.72 -1.30 0.00 0.00 0.00 176.54 174.54 1uyy n THR 45 N -2.48 0.95 -1.74 4.70 -2.24 -0.85 -5.08 114.28 107.54 1uyy n THR 45 Ca 0.02 -4.55 -0.40 0.00 -2.27 0.00 0.00 64.05 56.85 1uyy n THR 45 Cb 0.26 -2.03 0.02 0.00 -2.10 0.00 0.00 70.33 66.48 1uyy n THR 45 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1uyy n PRO 46 N 1.86 2.09 -5.05 -0.78 -0.02 -1.25 -4.86 135.00 126.98 1uyy n PRO 46 Ca 0.24 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 1uyy n PRO 46 Cb 0.41 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.19 1uyy n PRO 46 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uyy s VAL 47 N -1.21 2.56 -0.04 -1.45 1.01 0.17 -4.90 120.40 116.55 1uyy s VAL 47 Ca 0.62 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1uyy s VAL 47 Cb -0.46 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1uyy s VAL 47 CO 0.57 0.56 0.61 0.21 0.00 0.00 0.00 175.10 177.05 1uyy s ASN 48 N -0.17 6.94 -0.27 3.32 3.84 -1.26 -0.31 114.94 127.02 1uyy s ASN 48 Ca -0.02 1.12 -0.08 0.00 0.21 0.00 0.00 52.86 54.08 1uyy s ASN 48 Cb -0.14 -2.37 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 1uyy s ASN 48 CO 0.04 0.03 0.11 -0.63 -2.79 0.00 0.00 177.10 173.85 1uyy s ILE 49 N 0.19 4.52 0.24 -5.21 -1.09 -0.13 -4.97 121.20 114.75 1uyy s ILE 49 Ca 0.32 -0.20 0.16 0.00 -2.23 0.00 0.00 60.65 58.70 1uyy s ILE 49 Cb -0.18 -3.18 0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1uyy s ILE 49 CO 0.16 0.25 1.74 1.55 -1.23 0.00 0.00 174.94 177.41 1uyy h PRO 50 N 8.29 0.00 -2.52 2.79 0.13 -1.91 -1.06 132.00 137.71 1uyy h PRO 50 Ca -0.36 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.58 0.42 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.17 1uyy s SER 51 N -6.60 -0.44 0.28 1.44 1.04 -1.26 -4.84 113.70 103.31 1uyy s SER 51 Ca -0.01 0.52 -0.29 0.00 0.48 0.00 0.00 55.95 56.65 1uyy s SER 51 Cb 0.12 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.69 1uyy s SER 51 CO 0.71 -0.46 1.34 -0.44 0.98 0.00 0.00 173.24 175.36 1uyy s SER 52 N -0.96 6.78 0.00 7.02 0.01 -1.26 -4.38 113.70 120.91 1uyy s SER 52 Ca -0.10 2.61 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1uyy s SER 52 Cb -0.03 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1uyy s SER 52 CO 0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1uyy n GLY 53 N 1.48 0.23 3.72 3.44 0.00 -0.59 -4.93 105.19 108.55 1uyy n GLY 53 Ca 0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 7.36 0.04 1.61 0.15 -1.26 -1.36 113.70 116.24 1uyy s SER 54 Ca 0.00 1.63 0.05 0.00 0.70 0.00 0.00 55.95 58.33 1uyy s SER 54 Cb 0.00 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1uyy s SER 54 CO 0.00 -0.13 -0.14 -0.31 1.20 0.00 0.00 173.24 173.86 1uyy s TYR 55 N 0.43 1.26 -0.26 3.44 1.51 -0.05 -3.58 117.35 120.10 1uyy s TYR 55 Ca 0.46 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 1uyy s TYR 55 Cb -0.21 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1uyy s TYR 55 CO 0.27 0.04 0.27 -1.17 -1.11 0.00 0.00 175.55 173.85 1uyy s LEU 56 N -1.21 4.06 -0.21 -1.29 2.96 -0.00 -1.40 118.68 121.60 1uyy s LEU 56 Ca 0.01 0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1uyy s LEU 56 Cb -0.08 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1uyy s LEU 56 CO 0.01 -0.07 0.03 -0.63 -1.32 0.00 0.00 176.35 174.37 1uyy s ILE 57 N 1.65 4.26 0.00 6.68 -1.09 0.11 -0.68 121.20 132.13 1uyy s ILE 57 Ca 0.11 -0.21 0.03 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 37.75 1uyy s ILE 57 CO 0.09 0.41 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.54 1uyy s GLU 58 N 0.99 2.60 -0.06 2.79 2.02 0.30 -1.80 118.70 125.53 1uyy s GLU 58 Ca 0.03 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1uyy s GLU 58 Cb -0.14 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1uyy s GLU 58 CO 0.02 0.61 -0.12 0.71 0.02 0.00 0.00 175.26 176.50 1uyy s TYR 59 N -1.00 1.36 -0.42 1.61 1.51 -0.17 -1.06 117.35 119.18 1uyy s TYR 59 Ca 0.17 -0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 55.59 1uyy s TYR 59 Cb -0.11 -0.99 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1uyy s TYR 59 CO 0.08 -0.23 0.48 0.50 -1.11 0.00 0.00 175.55 175.27 1uyy s ARG 60 N 0.55 3.18 0.12 -0.62 6.06 -0.55 -1.41 118.95 126.29 1uyy s ARG 60 Ca -0.12 -0.63 0.04 0.00 -2.50 0.00 0.00 55.73 52.52 1uyy s ARG 60 Cb -0.14 -3.95 -0.04 0.00 0.06 0.00 0.00 34.95 30.88 1uyy s ARG 60 CO 0.03 -0.86 -0.10 0.14 -2.50 0.00 0.00 175.30 172.00 1uyy s VAL 61 N 2.29 1.06 -0.00 7.11 -7.23 -0.11 -0.99 120.40 122.54 1uyy s VAL 61 Ca 0.15 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1uyy s VAL 61 Cb -0.16 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1uyy s VAL 61 CO 0.15 -0.63 0.04 0.00 -0.31 0.00 0.00 175.10 174.34 1uyy s ALA 62 N -2.83 -0.08 -0.26 1.32 0.00 -0.92 -1.43 121.76 117.58 1uyy s ALA 62 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 1uyy s ALA 62 Cb -0.00 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.26 1uyy s ALA 62 CO 0.00 -0.12 0.58 0.45 0.00 0.00 0.00 175.76 176.68 1uyy s SER 63 N -0.84 -0.82 0.05 0.00 0.15 -1.17 -0.40 113.70 110.66 1uyy s SER 63 Ca -0.09 1.35 -0.23 0.00 0.70 0.00 0.00 55.95 57.68 1uyy s SER 63 Cb -0.06 1.64 -0.15 0.00 -1.71 0.00 0.00 66.02 65.74 1uyy s SER 63 CO -0.00 -0.22 1.50 -0.61 1.20 0.00 0.00 173.24 175.10 1uyy h GLN 64 N 7.63 0.13 -0.00 5.44 5.75 -1.74 0.07 115.11 132.39 1uyy h GLN 64 Ca -0.23 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1uyy h GLN 64 Cb 1.15 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1uyy h GLN 64 CO 0.15 0.36 -0.06 0.09 -2.65 0.00 0.00 178.83 176.72 1uyy n ASN 65 N -4.87 0.72 -0.27 -0.69 3.02 -1.26 -4.30 115.26 107.61 1uyy n ASN 65 Ca -0.06 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1uyy n ASN 65 Cb 0.17 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 0.60 -1.56 1.13 7.41 0.00 -1.26 -4.75 105.19 106.76 1uyy n GLY 66 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.95 3.89 -0.02 0.00 -1.25 -4.85 105.19 103.91 1uyy n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.74 1.61 0.05 -0.02 0.00 -1.23 -4.72 107.32 101.27 1uyy s GLY 68 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.10 1uyy s GLY 68 CO 0.00 -0.07 0.63 -1.35 0.00 0.00 0.00 173.10 172.32 1uyy s SER 69 N -4.24 -0.61 0.07 1.64 1.04 -1.03 -1.09 113.70 109.48 1uyy s SER 69 Ca 0.54 0.37 0.01 0.00 0.48 0.00 0.00 55.95 57.35 1uyy s SER 69 Cb -0.11 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1uyy s SER 69 CO 0.50 -0.77 -0.05 -1.48 0.98 0.00 0.00 173.24 172.42 1uyy s LEU 70 N -1.92 2.49 -0.15 2.42 0.05 -0.77 -1.03 118.68 119.76 1uyy s LEU 70 Ca -0.05 -0.98 0.00 0.00 0.05 0.00 0.00 54.13 53.15 1uyy s LEU 70 Cb -0.00 0.04 -0.01 0.00 -2.05 0.00 0.00 46.19 44.17 1uyy s LEU 70 CO -0.01 -0.51 -0.14 -0.89 -0.55 0.00 0.00 176.35 174.25 1uyy s THR 71 N -3.62 2.81 -0.20 5.48 2.01 0.18 -1.90 115.64 120.41 1uyy s THR 71 Ca 0.08 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1uyy s THR 71 Cb 0.06 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1uyy s THR 71 CO -0.07 0.51 0.22 0.12 -0.69 0.00 0.00 174.62 174.71 1uyy s PHE 72 N 0.68 3.40 0.22 4.92 5.36 0.07 -1.36 117.98 131.27 1uyy s PHE 72 Ca -0.07 0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 56.26 1uyy s PHE 72 Cb -0.16 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.27 1uyy s PHE 72 CO 0.02 0.19 0.41 -0.85 -1.46 0.00 0.00 175.22 173.53 1uyy n GLU 73 N 3.82 0.58 -3.11 10.12 0.28 -0.43 -0.69 120.64 131.20 1uyy n GLU 73 Ca -0.14 -1.40 -0.33 0.00 -0.16 0.00 0.00 57.16 55.14 1uyy n GLU 73 Cb 0.52 1.60 -0.06 0.00 1.43 0.00 0.00 31.44 34.93 1uyy n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1uyy s GLU 74 N -2.18 4.03 0.18 3.44 0.41 -0.81 -0.78 118.70 122.98 1uyy s GLU 74 Ca 0.12 0.71 -0.33 0.00 -0.41 0.00 0.00 54.97 55.06 1uyy s GLU 74 Cb -0.02 -2.42 -0.14 0.00 -1.78 0.00 0.00 34.13 29.77 1uyy s GLU 74 CO 0.09 0.14 1.43 0.00 -0.49 0.00 0.00 175.26 176.43 1uyy n ALA 75 N -0.37 0.68 0.00 5.21 0.00 0.85 -1.72 120.51 125.15 1uyy n ALA 75 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1uyy n ALA 75 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 2.67 2.91 0.00 0.00 0.00 -1.26 -4.64 105.19 104.87 1uyy n GLY 76 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.98 1.75 3.46 -0.02 0.00 -0.70 -5.10 105.19 103.59 1uyy n GLY 77 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.76 -1.45 0.55 4.61 0.00 -1.25 -4.29 121.76 118.19 1uyy s ALA 78 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 1uyy s ALA 78 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1uyy s ALA 78 CO 0.00 -0.31 1.11 -1.25 0.00 0.00 0.00 175.76 175.31 1uyy s PRO 79 N -0.46 3.37 0.06 0.00 0.04 -1.26 -4.59 135.00 132.15 1uyy s PRO 79 Ca -0.06 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1uyy s PRO 79 Cb -0.03 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1uyy s PRO 79 CO 0.04 -0.82 0.76 0.08 0.04 0.00 0.00 177.00 177.11 1uyy s VAL 80 N -1.92 4.68 -0.23 -0.36 1.01 -1.26 -1.92 120.40 120.39 1uyy s VAL 80 Ca 0.70 1.63 0.02 0.00 0.00 0.00 0.00 61.98 64.33 1uyy s VAL 80 Cb -0.22 -4.11 -0.19 0.00 0.00 0.00 0.00 36.38 31.86 1uyy s VAL 80 CO 0.28 0.39 -0.11 1.41 0.00 0.00 0.00 175.10 177.07 1uyy n HIS 81 N 2.61 0.21 -3.65 5.22 -0.00 0.13 -4.97 115.22 114.77 1uyy n HIS 81 Ca -0.03 0.05 0.04 0.00 -0.00 0.00 0.00 57.72 57.77 1uyy n HIS 81 Cb 0.50 -1.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 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 -6.30 -0.44 0.15 -1.41 0.00 -0.95 -4.58 107.32 93.79 1uyy s GLY 82 Ca -0.31 0.79 0.05 0.00 0.00 0.00 0.00 44.72 45.25 1uyy s GLY 82 CO 0.64 1.37 -0.12 -0.51 0.00 0.00 0.00 173.10 174.49 1uyy s THR 83 N -2.05 1.30 -0.20 0.90 -4.23 -1.26 -0.75 115.64 109.35 1uyy s THR 83 Ca 0.18 -2.02 -0.18 0.00 -1.18 0.00 0.00 61.69 58.49 1uyy s THR 83 Cb 0.06 -1.81 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1uyy s THR 83 CO -0.06 -0.66 0.52 -0.51 -0.54 0.00 0.00 174.62 173.38 1uyy s ILE 84 N -3.03 -0.00 0.22 2.99 2.07 -0.80 -5.01 121.20 117.64 1uyy s ILE 84 Ca 0.16 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.17 1uyy s ILE 84 Cb 0.00 -0.73 -0.08 0.00 0.13 0.00 0.00 42.46 41.78 1uyy s ILE 84 CO 0.02 0.00 0.79 0.00 -1.91 0.00 0.00 174.94 173.84 1uyy s ALA 85 N 0.35 3.39 -0.28 1.50 0.00 -1.26 -1.85 121.76 123.61 1uyy s ALA 85 Ca -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1uyy s ALA 85 Cb -0.04 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1uyy s ALA 85 CO -0.00 0.29 0.04 0.42 0.00 0.00 0.00 175.76 176.51 1uyy s ILE 86 N -1.38 3.72 0.68 0.00 1.01 -0.25 -4.96 121.20 120.02 1uyy s ILE 86 Ca 0.41 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1uyy s ILE 86 Cb -0.20 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 1uyy s ILE 86 CO 0.24 0.14 1.06 -2.16 0.00 0.00 0.00 174.94 174.22 1uyy s PRO 87 N 1.47 3.05 0.28 2.79 0.04 -1.26 -3.58 135.00 137.78 1uyy s PRO 87 Ca 0.03 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1uyy s PRO 87 Cb -0.17 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1uyy s PRO 87 CO 0.01 -0.99 1.44 0.00 0.04 0.00 0.00 177.00 177.49 1uyy s ALA 88 N -3.10 3.61 -0.60 8.56 0.00 -1.26 -4.47 121.76 124.50 1uyy s ALA 88 Ca 0.57 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.97 1uyy s ALA 88 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1uyy s ALA 88 CO 0.55 -0.77 0.47 0.25 0.00 0.00 0.00 175.76 176.26 1uyy n THR 89 N 1.92 0.00 0.00 0.00 -2.24 -0.00 -4.92 114.28 109.04 1uyy n THR 89 Ca 0.05 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1uyy n THR 89 Cb 0.40 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.97 2.13 3.61 3.38 0.00 -1.14 -4.85 105.19 109.29 1uyy n GLY 90 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1uyy n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyy s GLY 91 N -2.41 -0.32 0.52 -0.02 0.00 -1.23 -4.87 107.32 98.98 1uyy s GLY 91 Ca 0.00 1.37 0.34 0.00 0.00 0.00 0.00 44.72 46.43 1uyy s GLY 91 CO 0.00 0.42 2.00 1.49 0.00 0.00 0.00 173.10 177.01 1uyy h TRP 92 N 2.00 0.00 -0.04 1.90 -0.00 -1.91 -2.75 115.95 115.15 1uyy h TRP 92 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.64 1uyy h TRP 92 Cb 1.17 0.00 -0.18 0.00 -0.00 0.00 0.00 29.16 30.15 1uyy h TRP 92 CO 0.30 0.00 -0.74 1.04 -0.00 0.00 0.00 178.44 179.03 1uyy n GLN 93 N -2.93 1.04 -3.63 0.49 1.13 -1.26 -4.75 117.38 107.46 1uyy n GLN 93 Ca 0.00 -2.83 -0.40 0.00 -1.94 0.00 0.00 57.00 51.84 1uyy n GLN 93 Cb 0.24 -1.00 -0.11 0.00 0.11 0.00 0.00 30.24 29.48 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 -2.02 4.44 -0.00 5.09 2.01 -1.05 -4.77 115.64 119.34 1uyy s THR 94 Ca 0.37 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1uyy s THR 94 Cb 0.38 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1uyy s THR 94 CO -0.10 -0.19 0.06 0.26 -0.69 0.00 0.00 174.62 173.96 1uyy s TRP 95 N 1.53 3.24 0.11 4.92 0.52 -1.26 -4.37 118.94 123.63 1uyy s TRP 95 Ca 0.02 0.18 -0.06 0.00 0.02 0.00 0.00 56.10 56.25 1uyy s TRP 95 Cb -0.19 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 1uyy s TRP 95 CO 0.06 0.53 0.16 -0.08 0.02 0.00 0.00 176.95 177.64 1uyy s THR 96 N -1.17 0.13 -0.20 2.01 -1.32 -0.51 -4.98 115.64 109.60 1uyy s THR 96 Ca 0.22 -1.44 -0.05 0.00 -1.21 0.00 0.00 61.69 59.21 1uyy s THR 96 Cb -0.12 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1uyy s THR 96 CO 0.13 -0.60 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.04 1uyy s THR 97 N -3.92 3.82 0.32 5.08 2.01 -1.26 -0.93 115.64 120.75 1uyy s THR 97 Ca 0.11 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.84 1uyy s THR 97 Cb 0.05 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1uyy s THR 97 CO -0.06 0.43 0.08 0.27 -0.69 0.00 0.00 174.62 174.64 1uyy s ILE 98 N 1.05 3.11 0.05 1.82 -4.36 -0.50 -4.95 121.20 117.43 1uyy s ILE 98 Ca 0.02 -1.80 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 1uyy s ILE 98 Cb -0.14 -2.92 0.04 0.00 1.25 0.00 0.00 42.46 40.69 1uyy s ILE 98 CO 0.01 -0.25 0.46 0.00 0.24 0.00 0.00 174.94 175.40 1uyy s GLN 99 N -3.77 0.99 0.22 0.37 -2.07 -1.26 -1.00 119.66 113.13 1uyy s GLN 99 Ca 0.35 -0.35 -0.13 0.00 -1.82 0.00 0.00 55.36 53.41 1uyy s GLN 99 Cb -0.03 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1uyy s GLN 99 CO 0.21 -0.35 0.45 -3.38 -1.32 0.00 0.00 175.29 170.90 1uyy s HIS 100 N -2.61 0.27 0.05 9.60 -3.43 -0.75 -5.01 115.29 113.41 1uyy s HIS 100 Ca -0.04 -0.63 0.02 0.00 -0.80 0.00 0.00 55.06 53.61 1uyy s HIS 100 Cb -0.00 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1uyy s HIS 100 CO -0.03 -0.93 0.07 0.95 -2.00 0.00 0.00 174.74 172.80 1uyy s THR 101 N -3.98 4.50 0.04 -5.38 -4.23 -1.26 -0.71 115.64 104.62 1uyy s THR 101 Ca 0.19 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1uyy s THR 101 Cb -0.00 -3.12 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1uyy s THR 101 CO 0.05 0.21 -0.01 0.68 -0.54 0.00 0.00 174.62 175.00 1uyy s VAL 102 N -1.30 0.18 0.02 2.29 -7.23 -0.49 -4.94 120.40 108.93 1uyy s VAL 102 Ca 0.26 -1.50 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 1uyy s VAL 102 Cb -0.12 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1uyy s VAL 102 CO 0.18 -0.83 0.67 0.21 -0.31 0.00 0.00 175.10 175.02 1uyy s ASN 103 N -2.47 7.08 -0.01 4.85 3.84 -1.26 -0.87 114.94 126.09 1uyy s ASN 103 Ca -0.00 1.29 0.04 0.00 0.21 0.00 0.00 52.86 54.40 1uyy s ASN 103 Cb 0.02 -2.41 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 1uyy s ASN 103 CO -0.07 0.07 -0.13 -0.76 -2.79 0.00 0.00 177.10 173.42 1uyy s LEU 104 N -0.17 1.99 0.45 3.21 1.43 -0.46 -4.91 118.68 120.22 1uyy s LEU 104 Ca 0.34 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 1uyy s LEU 104 Cb -0.19 -0.70 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 1uyy s LEU 104 CO 0.20 0.16 0.97 -0.94 0.23 0.00 0.00 176.35 176.97 1uyy s SER 105 N -0.24 6.76 0.55 2.29 1.04 -1.26 -1.54 113.70 121.30 1uyy s SER 105 Ca 0.04 1.73 -0.21 0.00 0.48 0.00 0.00 55.95 57.99 1uyy s SER 105 Cb -0.06 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1uyy s SER 105 CO -0.00 -0.49 1.27 0.00 0.98 0.00 0.00 173.24 175.00 1uyy s ALA 106 N -2.19 2.71 0.00 5.32 0.00 -1.26 -4.72 121.76 121.62 1uyy s ALA 106 Ca 0.63 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1uyy s ALA 106 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1uyy s ALA 106 CO 0.17 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1uyy n GLY 107 N 0.62 0.17 3.75 0.00 0.00 -0.40 -4.94 105.19 104.38 1uyy n GLY 107 Ca 0.11 -2.29 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 7.47 0.03 1.61 0.15 -1.26 -0.96 113.70 116.75 1uyy s SER 108 Ca 0.00 1.75 0.07 0.00 0.70 0.00 0.00 55.95 58.47 1uyy s SER 108 Cb 0.00 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1uyy s SER 108 CO 0.00 0.06 -0.21 -1.00 1.20 0.00 0.00 173.24 173.29 1uyy s HIS 109 N -0.52 1.82 -0.32 3.44 4.02 0.57 -4.95 115.29 119.34 1uyy s HIS 109 Ca 0.42 -0.37 0.03 0.00 1.02 0.00 0.00 55.06 56.16 1uyy s HIS 109 Cb -0.23 -1.10 0.09 0.00 -1.02 0.00 0.00 32.58 30.32 1uyy s HIS 109 CO 0.29 0.07 0.02 -0.65 1.02 0.00 0.00 174.74 175.49 1uyy s GLN 110 N -1.07 1.78 0.39 1.40 -0.21 -1.26 -0.66 119.66 120.03 1uyy s GLN 110 Ca 0.07 -1.70 -0.11 0.00 0.02 0.00 0.00 55.36 53.64 1uyy s GLN 110 Cb -0.09 -3.16 -0.07 0.00 1.00 0.00 0.00 33.01 30.70 1uyy s GLN 110 CO 0.01 -0.84 0.76 -0.06 -2.12 0.00 0.00 175.29 173.05 1uyy s PHE 111 N 0.99 3.45 0.09 0.91 0.40 -1.26 -0.11 117.98 122.46 1uyy s PHE 111 Ca 0.05 1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.38 1uyy s PHE 111 Cb -0.20 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 1uyy s PHE 111 CO -0.06 -0.06 0.16 0.20 0.70 0.00 0.00 175.22 176.15 1uyy s GLY 112 N -2.98 0.23 -0.06 4.36 0.00 0.04 -0.81 107.32 108.11 1uyy s GLY 112 Ca 0.52 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1uyy s GLY 112 CO 0.28 -0.91 -0.11 -0.42 0.00 0.00 0.00 173.10 171.94 1uyy s ILE 113 N -3.89 1.03 -0.12 0.90 1.01 -0.25 -1.32 121.20 118.56 1uyy s ILE 113 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1uyy s ILE 113 Cb 0.05 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 1uyy s ILE 113 CO -0.09 0.33 -0.15 -0.75 0.00 0.00 0.00 174.94 174.28 1uyy s LYS 114 N 0.65 3.23 -0.14 2.79 2.47 -0.47 -0.95 119.74 127.32 1uyy s LYS 114 Ca -0.13 -0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 53.27 1uyy s LYS 114 Cb -0.15 -2.55 -0.01 0.00 -1.46 0.00 0.00 37.83 33.66 1uyy s LYS 114 CO 0.03 0.26 1.07 0.00 0.16 0.00 0.00 175.35 176.87 1uyy s ALA 115 N 0.22 3.53 -0.14 3.13 0.00 -0.26 -0.64 121.76 127.61 1uyy s ALA 115 Ca -0.10 0.36 0.17 0.00 0.00 0.00 0.00 51.96 52.40 1uyy s ALA 115 Cb -0.16 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1uyy s ALA 115 CO 0.06 -0.82 0.89 -0.91 0.00 0.00 0.00 175.76 174.97 1uyy h ASN 116 N 7.37 0.00 -4.25 0.00 4.21 -1.41 -0.56 115.58 120.94 1uyy h ASN 116 Ca -0.27 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.10 1uyy h ASN 116 Cb 1.12 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 38.09 1uyy h ASN 116 CO 0.91 0.51 -0.31 0.00 -1.29 0.00 0.00 177.43 177.25 1uyy s ALA 117 N -2.97 -0.80 0.54 -0.83 0.00 -1.12 -4.69 121.76 111.89 1uyy s ALA 117 Ca -0.02 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1uyy s ALA 117 Cb 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1uyy s ALA 117 CO 0.80 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1uyy n GLY 118 N 2.33 0.40 0.65 0.00 0.00 -1.26 -2.48 105.19 104.83 1uyy n GLY 118 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.92 3.15 -0.02 0.00 -0.97 -3.50 105.19 109.77 1uyy n GLY 119 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 0.67 0.19 1.61 1.48 -1.26 -4.24 118.94 115.39 1uyy s TRP 120 Ca 0.00 -1.10 0.11 0.00 -1.06 0.00 0.00 56.10 54.05 1uyy s TRP 120 Cb 0.00 -0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 31.88 1uyy s TRP 120 CO 0.00 -0.49 -0.22 -0.80 -4.06 0.00 0.00 176.95 171.38 1uyy s ASN 121 N -2.99 3.57 -0.06 -2.66 0.01 0.47 -4.25 114.94 109.03 1uyy s ASN 121 Ca 0.17 -0.83 -0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1uyy s ASN 121 Cb 0.07 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.43 1uyy s ASN 121 CO -0.03 0.11 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.43 1uyy s LEU 122 N -2.73 0.96 -0.23 0.60 2.96 -0.63 -2.15 118.68 117.46 1uyy s LEU 122 Ca 0.22 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.83 1uyy s LEU 122 Cb -0.08 -0.46 -0.17 0.00 0.50 0.00 0.00 46.19 45.98 1uyy s LEU 122 CO 0.11 -0.13 0.02 -3.20 -1.32 0.00 0.00 176.35 171.83 1uyy n ASN 123 N 4.62 1.90 -3.78 3.68 5.15 -0.16 -0.75 115.26 125.93 1uyy n ASN 123 Ca -0.16 0.38 -0.08 0.00 -0.60 0.00 0.00 54.58 54.13 1uyy n ASN 123 Cb 0.50 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.83 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 -2.42 -0.25 0.08 1.20 1.48 -1.25 -1.36 118.94 116.42 1uyy s TRP 124 Ca -0.32 -0.16 0.07 0.00 -1.06 0.00 0.00 56.10 54.63 1uyy s TRP 124 Cb 0.09 0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 33.05 1uyy s TRP 124 CO 0.56 -1.14 -0.19 -1.50 -4.06 0.00 0.00 176.95 170.63 1uyy s ILE 125 N -3.85 1.50 -0.01 0.66 1.10 0.27 -1.48 121.20 119.39 1uyy s ILE 125 Ca 0.09 -1.36 0.01 0.00 -0.51 0.00 0.00 60.65 58.89 1uyy s ILE 125 Cb -0.05 -1.36 0.01 0.00 0.15 0.00 0.00 42.46 41.21 1uyy s ILE 125 CO 0.03 -0.04 -0.02 -0.60 -2.11 0.00 0.00 174.94 172.20 1uyy s ARG 126 N -1.63 0.32 -0.15 3.50 3.52 -0.22 -0.81 118.95 123.47 1uyy s ARG 126 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1uyy s ARG 126 Cb -0.09 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 32.90 1uyy s ARG 126 CO 0.03 -0.01 -0.04 0.42 -0.81 0.00 0.00 175.30 174.89 1uyy s ILE 127 N 0.35 3.84 0.04 4.11 1.01 -0.24 -0.54 121.20 129.76 1uyy s ILE 127 Ca -0.03 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1uyy s ILE 127 Cb -0.06 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1uyy s ILE 127 CO -0.01 0.49 -0.14 0.20 0.00 0.00 0.00 174.94 175.49 1uyy s ASN 128 N 0.38 1.67 0.64 3.58 0.01 0.15 -0.60 114.94 120.77 1uyy s ASN 128 Ca -0.04 -0.47 -0.12 0.00 -0.71 0.00 0.00 52.86 51.52 1uyy s ASN 128 Cb -0.14 -0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.39 1uyy s ASN 128 CO 0.03 0.03 1.05 -1.59 -1.51 0.00 0.00 177.10 175.10 1uyy s LYS 129 N -1.17 3.25 -0.04 -0.60 -2.85 -0.37 -0.82 119.74 117.14 1uyy s LYS 129 Ca 0.01 0.94 -0.01 0.00 -1.00 0.00 0.00 55.97 55.92 1uyy s LYS 129 Cb -0.08 -2.03 -0.02 0.00 -2.06 0.00 0.00 37.83 33.64 1uyy s LYS 129 CO 0.01 -0.85 -0.04 0.25 0.10 0.00 0.00 175.35 174.82 1uyy n THR 130 N -2.72 0.21 -0.36 3.79 -2.24 -1.23 -4.40 114.28 107.32 1uyy n THR 130 Ca 0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1uyy n THR 130 Cb 0.54 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1uyy n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91