#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uy0 s VAL 2 N 0.00 4.60 -0.13 1.12 1.01 -1.26 -0.49 120.40 125.25 1uy0 s VAL 2 Ca 0.00 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 63.67 1uy0 s VAL 2 Cb 0.00 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.90 1uy0 s VAL 2 CO 0.00 -0.09 0.58 0.40 0.00 0.00 0.00 175.10 175.99 1uy0 h ILE 3 N 5.28 1.28 -1.96 2.22 1.08 -1.24 -3.48 117.51 120.69 1uy0 h ILE 3 Ca -0.26 -2.35 -0.04 0.00 -0.39 0.00 0.00 64.86 61.82 1uy0 h ILE 3 Cb 1.11 2.85 -0.20 0.00 -3.07 0.00 0.00 36.82 37.51 1uy0 h ILE 3 CO 0.92 0.58 0.19 0.00 -0.69 0.00 0.00 178.15 179.15 1uy0 s ALA 4 N -2.37 -1.79 -0.12 1.87 0.00 -1.08 -4.95 121.76 113.31 1uy0 s ALA 4 Ca -0.21 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1uy0 s ALA 4 Cb 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1uy0 s ALA 4 CO 0.71 -0.35 -0.14 0.99 0.00 0.00 0.00 175.76 176.97 1uy0 s THR 5 N -0.34 2.94 -0.16 0.00 2.01 -1.26 -0.72 115.64 118.11 1uy0 s THR 5 Ca -0.04 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1uy0 s THR 5 Cb -0.03 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.30 1uy0 s THR 5 CO 0.04 0.53 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 1uy0 s ILE 6 N 0.31 1.18 0.13 1.82 1.01 0.41 -5.00 121.20 121.06 1uy0 s ILE 6 Ca -0.11 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.59 1uy0 s ILE 6 Cb -0.16 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1uy0 s ILE 6 CO 0.06 0.17 1.35 -1.10 0.00 0.00 0.00 174.94 175.42 1uy0 s GLN 7 N 1.61 4.35 0.47 2.79 -1.52 -1.26 -0.40 119.66 125.69 1uy0 s GLN 7 Ca 0.01 2.04 0.12 0.00 -1.95 0.00 0.00 55.36 55.58 1uy0 s GLN 7 Cb -0.15 -3.24 1.08 0.00 -0.22 0.00 0.00 33.01 30.48 1uy0 s GLN 7 CO -0.08 -0.37 2.11 0.00 -0.25 0.00 0.00 175.29 176.70 1uy0 h ALA 8 N 6.43 1.86 0.00 6.09 0.00 -1.40 -0.99 119.26 131.26 1uy0 h ALA 8 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1uy0 h ALA 8 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1uy0 h ALA 8 CO 0.84 0.13 0.00 -0.85 0.00 0.00 0.00 179.25 179.36 1uy0 n GLU 9 N -4.51 0.12 -1.10 0.00 0.00 -1.26 -3.83 120.64 110.06 1uy0 n GLU 9 Ca -0.00 0.29 -0.21 0.00 0.00 0.00 0.00 57.16 57.24 1uy0 n GLU 9 Cb 0.08 -1.70 0.01 0.00 0.00 0.00 0.00 31.44 29.83 1uy0 n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uy0 n ASP 10 N -1.92 6.55 -4.77 -1.84 8.00 -0.38 -4.92 116.55 117.28 1uy0 n ASP 10 Ca 0.04 -3.15 -0.39 0.00 0.71 0.00 0.00 54.79 51.99 1uy0 n ASP 10 Cb 0.25 -1.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 1uy0 n ASP 10 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1uy0 s HIS 11 N -1.91 3.88 0.15 1.24 -3.43 -1.25 -4.88 115.29 109.09 1uy0 s HIS 11 Ca 0.41 1.76 0.09 0.00 -0.80 0.00 0.00 55.06 56.53 1uy0 s HIS 11 Cb 0.30 -2.87 0.00 0.00 -1.43 0.00 0.00 32.58 28.58 1uy0 s HIS 11 CO -0.07 0.42 1.40 0.66 -2.00 0.00 0.00 174.74 175.15 1uy0 h SER 12 N 3.95 0.00 -5.12 7.38 4.64 -1.41 -3.46 113.55 119.53 1uy0 h SER 12 Ca -0.46 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1uy0 h SER 12 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 1uy0 h SER 12 CO 0.67 0.84 -0.49 -1.10 -0.87 0.00 0.00 176.83 175.87 1uy0 s GLN 13 N -3.02 0.66 0.26 4.77 -0.21 -1.20 -4.99 119.66 115.94 1uy0 s GLN 13 Ca 0.01 -0.84 -0.17 0.00 0.02 0.00 0.00 55.36 54.37 1uy0 s GLN 13 Cb 0.11 0.26 0.01 0.00 1.00 0.00 0.00 33.01 34.39 1uy0 s GLN 13 CO 0.79 -0.18 0.61 1.14 -2.12 0.00 0.00 175.29 175.54 1uy0 s GLN 14 N -3.03 1.68 -0.04 2.91 1.03 -1.26 -0.76 119.66 120.18 1uy0 s GLN 14 Ca -0.01 -1.10 -0.01 0.00 0.04 0.00 0.00 55.36 54.28 1uy0 s GLN 14 Cb 0.01 0.55 0.03 0.00 0.03 0.00 0.00 33.01 33.64 1uy0 s GLN 14 CO -0.07 -0.74 0.09 0.45 -2.54 0.00 0.00 175.29 172.48 1uy0 s SER 15 N -2.96 0.02 0.00 12.60 0.15 -0.16 -4.96 113.70 118.39 1uy0 s SER 15 Ca 0.16 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uy0 s SER 15 Cb -0.04 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1uy0 s SER 15 CO 0.08 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1uy0 n GLY 16 N 4.24 1.33 3.78 9.45 0.00 -1.26 -2.19 105.19 120.55 1uy0 n GLY 16 Ca -0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1uy0 n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uy0 s THR 17 N -2.97 3.53 -0.05 2.61 -4.23 -1.26 -4.71 115.64 108.56 1uy0 s THR 17 Ca 0.00 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1uy0 s THR 17 Cb 0.00 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 1uy0 s THR 17 CO 0.00 -0.24 -0.25 -1.58 -0.54 0.00 0.00 174.62 172.01 1uy0 s GLN 18 N -3.88 2.40 0.16 3.99 2.00 -0.50 -4.96 119.66 118.87 1uy0 s GLN 18 Ca 0.37 -0.91 -0.27 0.00 -2.00 0.00 0.00 55.36 52.55 1uy0 s GLN 18 Cb -0.05 -2.11 -0.08 0.00 0.80 0.00 0.00 33.01 31.57 1uy0 s GLN 18 CO 0.24 0.44 0.84 -1.14 -0.50 0.00 0.00 175.29 175.17 1uy0 s GLN 19 N -0.30 4.65 0.14 1.67 0.74 -1.26 -0.27 119.66 125.03 1uy0 s GLN 19 Ca 0.01 1.27 -0.09 0.00 0.05 0.00 0.00 55.36 56.59 1uy0 s GLN 19 Cb -0.13 -3.29 -0.00 0.00 1.10 0.00 0.00 33.01 30.69 1uy0 s GLN 19 CO 0.02 0.48 0.26 -1.83 -0.55 0.00 0.00 175.29 173.67 1uy0 s GLU 20 N -0.88 1.06 0.17 1.67 -1.05 -0.30 -4.93 118.70 114.44 1uy0 s GLU 20 Ca 0.39 -1.09 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 1uy0 s GLU 20 Cb -0.24 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.75 1uy0 s GLU 20 CO 0.28 -0.38 1.21 0.99 0.95 0.00 0.00 175.26 178.31 1uy0 s THR 21 N -3.93 3.59 0.04 1.83 2.01 -1.26 -0.48 115.64 117.44 1uy0 s THR 21 Ca 0.13 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.45 1uy0 s THR 21 Cb 0.04 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1uy0 s THR 21 CO -0.04 0.19 0.08 0.28 -0.69 0.00 0.00 174.62 174.44 1uy0 s THR 22 N 0.10 4.61 -1.62 -0.82 -1.32 -0.75 -4.73 115.64 111.12 1uy0 s THR 22 Ca 0.54 -0.59 0.19 0.00 -1.21 0.00 0.00 61.69 60.62 1uy0 s THR 22 Cb -0.33 -3.16 0.53 0.00 -1.51 0.00 0.00 72.50 68.03 1uy0 s THR 22 CO 0.36 0.24 1.44 0.35 -2.21 0.00 0.00 174.62 174.80 1uy0 n THR 23 N 0.83 1.00 -0.68 5.08 -2.24 -1.26 -4.13 114.28 112.89 1uy0 n THR 23 Ca -0.11 -1.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.37 1uy0 n THR 23 Cb 0.52 0.50 0.19 0.00 -2.10 0.00 0.00 70.33 69.45 1uy0 n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uy0 s ASP 24 N -1.00 2.29 -0.04 3.42 2.15 -1.26 -4.80 116.67 117.42 1uy0 s ASP 24 Ca 0.40 1.92 -0.38 0.00 0.43 0.00 0.00 52.55 54.93 1uy0 s ASP 24 Cb 0.21 -2.46 -0.16 0.00 -0.30 0.00 0.00 42.92 40.20 1uy0 s ASP 24 CO 0.27 -3.45 1.47 0.41 -0.17 0.00 0.00 175.17 173.70 1uy0 n THR 25 N -4.45 0.10 0.00 1.71 -1.04 -1.26 -1.10 114.28 108.25 1uy0 n THR 25 Ca 0.08 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1uy0 n THR 25 Cb 0.53 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1uy0 n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uy0 n GLY 26 N 3.07 0.88 7.00 3.41 0.00 -1.26 -4.97 105.19 113.32 1uy0 n GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1uy0 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 27 N -2.00 1.26 3.46 -0.02 0.00 -0.25 -4.99 105.19 102.64 1uy0 n GLY 27 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1uy0 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 28 N 0.00 0.69 3.25 -0.02 0.00 -1.26 -4.82 105.19 103.03 1uy0 n GLY 28 Ca 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 1uy0 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uy0 s LYS 29 N 0.00 1.06 0.22 1.61 -0.14 -1.26 -1.81 119.74 119.42 1uy0 s LYS 29 Ca 0.00 -1.31 0.05 0.00 -1.36 0.00 0.00 55.97 53.35 1uy0 s LYS 29 Cb 0.00 -0.88 -0.05 0.00 -1.68 0.00 0.00 37.83 35.22 1uy0 s LYS 29 CO 0.00 0.16 -0.05 0.54 -0.76 0.00 0.00 175.35 175.24 1uy0 s ASN 30 N -2.65 2.08 -0.05 2.83 2.20 0.37 -4.72 114.94 115.01 1uy0 s ASN 30 Ca 0.11 -1.16 -0.18 0.00 -0.94 0.00 0.00 52.86 50.70 1uy0 s ASN 30 Cb -0.03 -0.04 -0.05 0.00 -2.00 0.00 0.00 41.25 39.12 1uy0 s ASN 30 CO 0.03 -0.41 0.49 -0.69 -2.94 0.00 0.00 177.10 173.58 1uy0 s VAL 31 N -3.28 5.05 0.00 3.54 1.01 0.06 -1.16 120.40 125.62 1uy0 s VAL 31 Ca 0.26 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1uy0 s VAL 31 Cb 0.04 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1uy0 s VAL 31 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1uy0 n GLY 32 N 2.59 4.52 3.99 4.51 0.00 0.63 -1.47 105.19 119.96 1uy0 n GLY 32 Ca -0.09 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1uy0 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uy0 n TYR 33 N 0.00 -1.60 -3.32 1.61 4.02 -1.26 -1.41 117.16 115.20 1uy0 n TYR 33 Ca 0.00 0.62 -0.38 0.00 -0.01 0.00 0.00 57.90 58.13 1uy0 n TYR 33 Cb 0.00 -3.46 -0.07 0.00 -0.02 0.00 0.00 39.34 35.79 1uy0 n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uy0 s ILE 34 N -3.93 5.16 0.22 -0.72 1.01 -1.26 -4.35 121.20 117.33 1uy0 s ILE 34 Ca 0.11 0.87 0.11 0.00 0.00 0.00 0.00 60.65 61.74 1uy0 s ILE 34 Cb -0.05 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1uy0 s ILE 34 CO 0.91 0.25 -0.22 -1.81 0.00 0.00 0.00 174.94 174.07 1uy0 s ASP 35 N 0.95 3.38 0.12 3.58 1.01 -1.26 -2.13 116.67 122.32 1uy0 s ASP 35 Ca 0.23 -0.93 -0.35 0.00 0.71 0.00 0.00 52.55 52.21 1uy0 s ASP 35 Cb -0.15 -0.26 -0.16 0.00 1.01 0.00 0.00 42.92 43.37 1uy0 s ASP 35 CO 0.09 0.07 1.36 0.00 0.21 0.00 0.00 175.17 176.90 1uy0 n ALA 36 N -0.04 -0.40 0.00 5.23 0.00 -1.26 -1.28 120.51 122.75 1uy0 n ALA 36 Ca -0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1uy0 n ALA 36 Cb 0.58 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1uy0 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uy0 n GLY 37 N 2.61 2.35 3.75 0.00 0.00 -0.02 -4.98 105.19 108.90 1uy0 n GLY 37 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1uy0 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uy0 s ASP 38 N -1.52 4.74 0.17 1.61 1.01 -0.40 -4.81 116.67 117.47 1uy0 s ASP 38 Ca 0.00 2.09 -0.15 0.00 0.71 0.00 0.00 52.55 55.20 1uy0 s ASP 38 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 1uy0 s ASP 38 CO 0.00 -1.88 0.43 -1.66 0.21 0.00 0.00 175.17 172.27 1uy0 s TRP 39 N -2.29 -0.01 -0.03 4.23 1.48 -0.93 -0.83 118.94 120.55 1uy0 s TRP 39 Ca 0.69 -0.34 0.02 0.00 -1.06 0.00 0.00 56.10 55.41 1uy0 s TRP 39 Cb -0.23 0.25 0.01 0.00 -1.16 0.00 0.00 33.47 32.34 1uy0 s TRP 39 CO 0.44 -0.82 -0.07 -0.51 -4.06 0.00 0.00 176.95 171.94 1uy0 s LEU 40 N -2.88 1.59 -0.06 -4.66 1.43 -0.17 -0.99 118.68 112.94 1uy0 s LEU 40 Ca 0.10 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1uy0 s LEU 40 Cb 0.01 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 1uy0 s LEU 40 CO -0.04 0.01 -0.19 -0.55 0.23 0.00 0.00 176.35 175.80 1uy0 s SER 41 N 0.52 3.59 -0.28 2.29 0.15 0.06 -0.94 113.70 119.08 1uy0 s SER 41 Ca -0.08 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.31 1uy0 s SER 41 Cb -0.11 -0.94 0.51 0.00 -1.71 0.00 0.00 66.02 63.77 1uy0 s SER 41 CO 0.01 0.27 1.46 -1.22 1.20 0.00 0.00 173.24 174.96 1uy0 n TYR 42 N 2.78 1.08 0.27 3.44 4.02 0.21 -1.00 117.16 127.97 1uy0 n TYR 42 Ca -0.17 -1.56 0.13 0.00 -0.01 0.00 0.00 57.90 56.29 1uy0 n TYR 42 Cb 0.52 -0.48 0.77 0.00 -0.02 0.00 0.00 39.34 40.13 1uy0 n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uy0 h ALA 43 N 1.04 1.39 0.00 -0.72 0.00 -1.87 -2.11 119.26 116.99 1uy0 h ALA 43 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1uy0 h ALA 43 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1uy0 h ALA 43 CO 0.38 0.11 0.00 0.78 0.00 0.00 0.00 179.25 180.52 1uy0 h GLY 44 N 0.56 0.00 -6.60 0.00 0.00 -1.94 -3.33 103.07 91.76 1uy0 h GLY 44 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1uy0 h GLY 44 CO 0.01 0.00 -0.72 -1.30 0.00 0.00 0.00 176.54 174.53 1uy0 n THR 45 N -2.76 0.93 -1.77 4.70 -2.24 -0.79 -5.07 114.28 107.27 1uy0 n THR 45 Ca 0.01 -4.54 -0.41 0.00 -2.27 0.00 0.00 64.05 56.84 1uy0 n THR 45 Cb 0.24 -2.03 0.01 0.00 -2.10 0.00 0.00 70.33 66.45 1uy0 n THR 45 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1uy0 n PRO 46 N 1.83 2.47 -4.98 -0.78 -0.02 -1.25 -4.86 135.00 127.41 1uy0 n PRO 46 Ca 0.25 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.27 1uy0 n PRO 46 Cb 0.41 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1uy0 n PRO 46 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uy0 s VAL 47 N -1.15 2.74 -0.06 -1.45 1.01 0.22 -4.90 120.40 116.80 1uy0 s VAL 47 Ca 0.57 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1uy0 s VAL 47 Cb -0.47 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1uy0 s VAL 47 CO 0.61 0.57 0.53 0.21 0.00 0.00 0.00 175.10 177.02 1uy0 s ASN 48 N -0.27 6.83 -0.29 3.32 3.84 -1.26 -0.07 114.94 127.04 1uy0 s ASN 48 Ca 0.01 0.99 -0.09 0.00 0.21 0.00 0.00 52.86 53.97 1uy0 s ASN 48 Cb -0.13 -2.32 -0.03 0.00 -0.55 0.00 0.00 41.25 38.22 1uy0 s ASN 48 CO 0.03 0.06 0.14 -0.63 -2.79 0.00 0.00 177.10 173.90 1uy0 s ILE 49 N 0.19 4.73 0.21 -5.21 -1.09 0.17 -4.96 121.20 115.23 1uy0 s ILE 49 Ca 0.29 -0.18 0.18 0.00 -2.23 0.00 0.00 60.65 58.70 1uy0 s ILE 49 Cb -0.17 -3.31 0.12 0.00 -1.58 0.00 0.00 42.46 37.53 1uy0 s ILE 49 CO 0.14 0.19 1.74 1.55 -1.23 0.00 0.00 174.94 177.33 1uy0 h PRO 50 N 8.33 0.00 -2.38 2.79 0.13 -1.91 -0.35 132.00 138.61 1uy0 h PRO 50 Ca -0.35 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 1uy0 h PRO 50 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1uy0 h PRO 50 CO 0.59 0.39 -0.01 -1.54 -0.23 0.00 0.00 178.00 177.20 1uy0 s SER 51 N -6.51 -0.52 0.26 1.44 1.04 -1.26 -4.85 113.70 103.30 1uy0 s SER 51 Ca -0.00 0.73 -0.30 0.00 0.48 0.00 0.00 55.95 56.86 1uy0 s SER 51 Cb 0.12 0.73 -0.10 0.00 0.10 0.00 0.00 66.02 66.86 1uy0 s SER 51 CO 0.69 -0.41 1.35 -0.44 0.98 0.00 0.00 173.24 175.41 1uy0 s SER 52 N -0.65 6.77 0.00 7.02 0.01 -1.26 -4.38 113.70 121.21 1uy0 s SER 52 Ca -0.07 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.78 1uy0 s SER 52 Cb -0.03 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1uy0 s SER 52 CO 0.05 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1uy0 n GLY 53 N 1.74 -0.04 3.73 3.44 0.00 -0.67 -4.93 105.19 108.46 1uy0 n GLY 53 Ca 0.04 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1uy0 n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uy0 s SER 54 N -4.00 7.21 0.04 1.61 0.15 -1.26 -1.01 113.70 116.44 1uy0 s SER 54 Ca 0.00 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.16 1uy0 s SER 54 Cb 0.00 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1uy0 s SER 54 CO 0.00 -0.10 -0.16 -0.31 1.20 0.00 0.00 173.24 173.87 1uy0 s TYR 55 N 0.49 1.38 -0.26 3.44 1.51 -0.18 -3.72 117.35 120.01 1uy0 s TYR 55 Ca 0.42 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 56.00 1uy0 s TYR 55 Cb -0.20 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1uy0 s TYR 55 CO 0.23 0.05 0.28 -1.17 -1.11 0.00 0.00 175.55 173.84 1uy0 s LEU 56 N -1.14 4.07 -0.20 -1.29 2.96 -0.19 -1.46 118.68 121.42 1uy0 s LEU 56 Ca 0.03 0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1uy0 s LEU 56 Cb -0.08 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1uy0 s LEU 56 CO 0.01 -0.08 0.02 -0.63 -1.32 0.00 0.00 176.35 174.35 1uy0 s ILE 57 N 1.66 4.18 0.01 6.68 -1.09 0.01 -0.48 121.20 132.18 1uy0 s ILE 57 Ca 0.12 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.34 1uy0 s ILE 57 Cb -0.15 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1uy0 s ILE 57 CO 0.09 0.43 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.52 1uy0 s GLU 58 N 0.90 2.44 -0.05 2.79 2.02 0.42 -1.73 118.70 125.49 1uy0 s GLU 58 Ca 0.02 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1uy0 s GLU 58 Cb -0.14 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.67 1uy0 s GLU 58 CO 0.02 0.59 -0.10 0.71 0.02 0.00 0.00 175.26 176.50 1uy0 s TYR 59 N -0.98 1.17 -0.42 1.61 1.51 -0.06 -0.86 117.35 119.32 1uy0 s TYR 59 Ca 0.17 -0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 1uy0 s TYR 59 Cb -0.11 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1uy0 s TYR 59 CO 0.07 -0.21 0.40 0.50 -1.11 0.00 0.00 175.55 175.21 1uy0 s ARG 60 N 0.58 3.07 0.15 -0.62 6.06 -0.45 -1.23 118.95 126.50 1uy0 s ARG 60 Ca -0.11 -0.82 0.06 0.00 -2.50 0.00 0.00 55.73 52.36 1uy0 s ARG 60 Cb -0.14 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.86 1uy0 s ARG 60 CO 0.02 -0.82 -0.13 0.14 -2.50 0.00 0.00 175.30 172.01 1uy0 s VAL 61 N 2.02 1.36 0.01 7.11 -7.23 -0.07 -0.81 120.40 122.80 1uy0 s VAL 61 Ca 0.10 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1uy0 s VAL 61 Cb -0.18 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1uy0 s VAL 61 CO 0.13 -0.55 -0.02 0.00 -0.31 0.00 0.00 175.10 174.34 1uy0 s ALA 62 N -2.67 0.12 -0.28 1.32 0.00 -0.88 -1.21 121.76 118.16 1uy0 s ALA 62 Ca 0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1uy0 s ALA 62 Cb -0.02 0.09 0.11 0.00 0.00 0.00 0.00 23.12 23.30 1uy0 s ALA 62 CO 0.03 -0.10 0.64 0.45 0.00 0.00 0.00 175.76 176.79 1uy0 s SER 63 N -1.00 -1.02 0.07 0.00 0.15 -1.18 -0.32 113.70 110.41 1uy0 s SER 63 Ca -0.10 1.51 -0.25 0.00 0.70 0.00 0.00 55.95 57.80 1uy0 s SER 63 Cb -0.07 1.89 -0.16 0.00 -1.71 0.00 0.00 66.02 65.97 1uy0 s SER 63 CO -0.01 -0.23 1.63 -0.61 1.20 0.00 0.00 173.24 175.23 1uy0 h GLN 64 N 7.63 -0.20 -0.00 5.44 5.75 -1.74 0.42 115.11 132.41 1uy0 h GLN 64 Ca -0.23 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1uy0 h GLN 64 Cb 1.15 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1uy0 h GLN 64 CO 0.13 -0.08 -0.15 0.09 -2.65 0.00 0.00 178.83 176.17 1uy0 n ASN 65 N -5.15 0.67 -0.25 -0.69 3.02 -1.26 -3.95 115.26 107.64 1uy0 n ASN 65 Ca -0.09 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1uy0 n ASN 65 Cb 0.14 0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1uy0 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uy0 n GLY 66 N 0.83 -1.81 0.75 7.41 0.00 -1.26 -4.71 105.19 106.40 1uy0 n GLY 66 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1uy0 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 67 N -0.01 0.73 3.89 -0.02 0.00 -1.25 -4.88 105.19 103.66 1uy0 n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1uy0 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uy0 s GLY 68 N -1.89 1.62 0.04 -0.02 0.00 -1.24 -4.72 107.32 101.11 1uy0 s GLY 68 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.06 1uy0 s GLY 68 CO 0.00 -0.09 0.67 -1.35 0.00 0.00 0.00 173.10 172.33 1uy0 s SER 69 N -4.28 -0.58 0.06 1.64 1.04 -1.01 -1.01 113.70 109.56 1uy0 s SER 69 Ca 0.55 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.30 1uy0 s SER 69 Cb -0.11 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1uy0 s SER 69 CO 0.50 -0.76 -0.02 -1.48 0.98 0.00 0.00 173.24 172.45 1uy0 s LEU 70 N -1.99 2.40 -0.13 2.42 0.05 -0.69 -1.16 118.68 119.57 1uy0 s LEU 70 Ca -0.04 -1.03 0.02 0.00 0.05 0.00 0.00 54.13 53.13 1uy0 s LEU 70 Cb -0.01 0.19 -0.00 0.00 -2.05 0.00 0.00 46.19 44.33 1uy0 s LEU 70 CO -0.02 -0.61 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.09 1uy0 s THR 71 N -3.91 2.42 -0.19 5.48 2.01 0.14 -1.68 115.64 119.91 1uy0 s THR 71 Ca 0.10 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1uy0 s THR 71 Cb 0.08 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1uy0 s THR 71 CO -0.08 0.54 0.21 0.12 -0.69 0.00 0.00 174.62 174.72 1uy0 s PHE 72 N 0.63 3.41 0.23 4.92 5.36 0.46 -1.08 117.98 131.92 1uy0 s PHE 72 Ca -0.10 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.23 1uy0 s PHE 72 Cb -0.16 -2.27 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1uy0 s PHE 72 CO 0.03 0.22 0.43 -0.85 -1.46 0.00 0.00 175.22 173.59 1uy0 n GLU 73 N 3.70 0.62 -3.19 10.12 0.28 -0.40 -0.73 120.64 131.04 1uy0 n GLU 73 Ca -0.14 -1.39 -0.33 0.00 -0.16 0.00 0.00 57.16 55.14 1uy0 n GLU 73 Cb 0.52 1.63 -0.06 0.00 1.43 0.00 0.00 31.44 34.96 1uy0 n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1uy0 s GLU 74 N -2.14 4.02 0.07 3.44 0.41 -0.75 -0.77 118.70 122.98 1uy0 s GLU 74 Ca 0.11 0.63 -0.36 0.00 -0.41 0.00 0.00 54.97 54.94 1uy0 s GLU 74 Cb -0.02 -2.60 -0.16 0.00 -1.78 0.00 0.00 34.13 29.57 1uy0 s GLU 74 CO 0.08 0.26 1.47 0.00 -0.49 0.00 0.00 175.26 176.58 1uy0 n ALA 75 N -0.01 -0.11 0.00 5.21 0.00 0.11 -1.29 120.51 124.42 1uy0 n ALA 75 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1uy0 n ALA 75 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1uy0 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uy0 n GLY 76 N 3.01 2.65 0.00 0.00 0.00 -1.26 -4.68 105.19 104.91 1uy0 n GLY 76 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1uy0 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 77 N -0.58 1.56 3.37 -0.02 0.00 -0.41 -5.10 105.19 104.00 1uy0 n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1uy0 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uy0 s ALA 78 N -1.72 -1.18 0.58 4.61 0.00 -1.24 -4.25 121.76 118.56 1uy0 s ALA 78 Ca 0.00 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 1uy0 s ALA 78 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1uy0 s ALA 78 CO 0.00 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 1uy0 s PRO 79 N -0.16 3.23 0.02 0.00 0.04 -1.26 -4.59 135.00 132.28 1uy0 s PRO 79 Ca -0.03 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 1uy0 s PRO 79 Cb -0.03 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1uy0 s PRO 79 CO 0.02 -0.91 0.72 0.08 0.04 0.00 0.00 177.00 176.95 1uy0 s VAL 80 N -2.10 4.80 -0.22 -0.36 1.01 -1.26 -1.80 120.40 120.47 1uy0 s VAL 80 Ca 0.69 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 64.12 1uy0 s VAL 80 Cb -0.20 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 31.92 1uy0 s VAL 80 CO 0.32 0.37 -0.04 1.41 0.00 0.00 0.00 175.10 177.16 1uy0 n HIS 81 N 2.86 0.47 -3.58 5.22 -0.00 0.09 -4.97 115.22 115.31 1uy0 n HIS 81 Ca -0.03 0.13 0.02 0.00 -0.00 0.00 0.00 57.72 57.84 1uy0 n HIS 81 Cb 0.50 -1.06 -0.00 0.00 -0.00 0.00 0.00 29.99 29.43 1uy0 n HIS 81 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1uy0 s GLY 82 N -5.83 -0.45 0.17 -1.41 0.00 -0.92 -4.59 107.32 94.28 1uy0 s GLY 82 Ca -0.32 0.93 0.08 0.00 0.00 0.00 0.00 44.72 45.41 1uy0 s GLY 82 CO 0.62 0.19 -0.16 -0.51 0.00 0.00 0.00 173.10 173.24 1uy0 s THR 83 N -2.18 1.67 -0.17 0.90 -4.23 -1.26 -0.40 115.64 109.96 1uy0 s THR 83 Ca 0.14 -1.99 -0.15 0.00 -1.18 0.00 0.00 61.69 58.51 1uy0 s THR 83 Cb 0.06 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 72.09 1uy0 s THR 83 CO -0.05 -0.45 0.45 -0.51 -0.54 0.00 0.00 174.62 173.51 1uy0 s ILE 84 N -2.45 -0.00 0.19 2.99 2.07 -0.67 -5.01 121.20 118.32 1uy0 s ILE 84 Ca 0.17 0.01 -0.28 0.00 -1.41 0.00 0.00 60.65 59.14 1uy0 s ILE 84 Cb -0.03 -0.63 -0.08 0.00 0.13 0.00 0.00 42.46 41.84 1uy0 s ILE 84 CO 0.06 0.00 0.86 0.00 -1.91 0.00 0.00 174.94 173.95 1uy0 s ALA 85 N 0.37 3.39 -0.27 1.50 0.00 -1.26 -1.70 121.76 123.79 1uy0 s ALA 85 Ca -0.01 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1uy0 s ALA 85 Cb -0.04 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1uy0 s ALA 85 CO -0.01 0.23 0.10 0.42 0.00 0.00 0.00 175.76 176.50 1uy0 s ILE 86 N -1.06 4.52 0.68 0.00 1.01 -0.18 -4.96 121.20 121.21 1uy0 s ILE 86 Ca 0.39 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 1uy0 s ILE 86 Cb -0.24 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1uy0 s ILE 86 CO 0.29 0.27 1.05 -2.16 0.00 0.00 0.00 174.94 174.40 1uy0 s PRO 87 N 1.64 3.06 0.25 2.79 0.04 -1.26 -3.64 135.00 137.87 1uy0 s PRO 87 Ca 0.06 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1uy0 s PRO 87 Cb -0.16 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1uy0 s PRO 87 CO 0.05 -1.00 1.37 0.00 0.04 0.00 0.00 177.00 177.46 1uy0 s ALA 88 N -3.07 3.57 -0.72 8.56 0.00 -1.26 -4.46 121.76 124.38 1uy0 s ALA 88 Ca 0.57 1.23 0.09 0.00 0.00 0.00 0.00 51.96 53.86 1uy0 s ALA 88 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1uy0 s ALA 88 CO 0.55 -0.64 0.54 0.25 0.00 0.00 0.00 175.76 176.45 1uy0 n THR 89 N 2.16 0.00 -0.48 0.00 -2.24 0.12 -4.91 114.28 108.94 1uy0 n THR 89 Ca 0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1uy0 n THR 89 Cb 0.41 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1uy0 n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uy0 n GLY 90 N 0.94 0.75 3.64 3.38 0.00 -1.09 -4.85 105.19 107.96 1uy0 n GLY 90 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1uy0 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uy0 s GLY 91 N -1.67 -0.08 0.48 -0.02 0.00 -1.24 -4.90 107.32 99.88 1uy0 s GLY 91 Ca 0.00 2.29 0.31 0.00 0.00 0.00 0.00 44.72 47.33 1uy0 s GLY 91 CO 0.00 0.83 1.93 1.49 0.00 0.00 0.00 173.10 177.35 1uy0 h TRP 92 N 2.02 0.00 -0.06 1.90 4.06 -1.91 -2.78 115.95 119.18 1uy0 h TRP 92 Ca -0.05 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.80 1uy0 h TRP 92 Cb 1.15 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.14 1uy0 h TRP 92 CO 0.25 0.00 -0.73 1.04 -3.56 0.00 0.00 178.44 175.44 1uy0 n GLN 93 N -2.85 1.15 -3.60 0.49 1.13 -1.26 -4.73 117.38 107.71 1uy0 n GLN 93 Ca 0.01 -2.90 -0.41 0.00 -1.94 0.00 0.00 57.00 51.76 1uy0 n GLN 93 Cb 0.27 -1.09 -0.11 0.00 0.11 0.00 0.00 30.24 29.42 1uy0 n GLN 93 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1uy0 s THR 94 N -2.20 4.48 0.02 5.09 2.01 -1.06 -4.75 115.64 119.25 1uy0 s THR 94 Ca 0.37 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1uy0 s THR 94 Cb 0.38 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1uy0 s THR 94 CO -0.10 -0.32 0.14 0.26 -0.69 0.00 0.00 174.62 173.91 1uy0 s TRP 95 N 1.52 3.39 0.09 4.92 0.52 -1.26 -4.36 118.94 123.76 1uy0 s TRP 95 Ca 0.02 0.23 -0.08 0.00 0.02 0.00 0.00 56.10 56.30 1uy0 s TRP 95 Cb -0.20 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.36 1uy0 s TRP 95 CO 0.05 0.58 0.18 -0.08 0.02 0.00 0.00 176.95 177.70 1uy0 s THR 96 N -1.33 0.14 -0.20 2.01 -1.32 -0.35 -4.98 115.64 109.61 1uy0 s THR 96 Ca 0.28 -1.27 -0.05 0.00 -1.21 0.00 0.00 61.69 59.44 1uy0 s THR 96 Cb -0.12 -1.42 -0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1uy0 s THR 96 CO 0.20 -0.65 0.00 -0.89 -2.21 0.00 0.00 174.62 171.07 1uy0 s THR 97 N -3.88 4.00 0.30 5.08 2.01 -1.26 -0.89 115.64 121.00 1uy0 s THR 97 Ca 0.07 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 61.86 1uy0 s THR 97 Cb 0.05 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1uy0 s THR 97 CO -0.10 0.43 0.06 0.27 -0.69 0.00 0.00 174.62 174.59 1uy0 s ILE 98 N 0.92 3.25 0.05 1.82 -4.36 -0.37 -4.94 121.20 117.57 1uy0 s ILE 98 Ca 0.01 -1.82 -0.16 0.00 -0.26 0.00 0.00 60.65 58.41 1uy0 s ILE 98 Cb -0.14 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.69 1uy0 s ILE 98 CO 0.02 -0.29 0.37 0.00 0.24 0.00 0.00 174.94 175.28 1uy0 s GLN 99 N -3.75 0.89 0.22 0.37 -2.07 -1.26 -0.88 119.66 113.17 1uy0 s GLN 99 Ca 0.34 -0.43 -0.11 0.00 -1.82 0.00 0.00 55.36 53.34 1uy0 s GLN 99 Cb -0.04 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 1uy0 s GLN 99 CO 0.21 -0.30 0.41 -3.38 -1.32 0.00 0.00 175.29 170.91 1uy0 s HIS 100 N -2.55 0.39 0.07 9.60 -3.43 -0.70 -5.01 115.29 113.66 1uy0 s HIS 100 Ca -0.05 -0.74 0.03 0.00 -0.80 0.00 0.00 55.06 53.50 1uy0 s HIS 100 Cb -0.01 0.08 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 1uy0 s HIS 100 CO -0.03 -0.89 0.04 0.95 -2.00 0.00 0.00 174.74 172.81 1uy0 s THR 101 N -4.00 4.28 0.04 -5.38 -4.23 -1.26 -0.81 115.64 104.28 1uy0 s THR 101 Ca 0.21 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1uy0 s THR 101 Cb 0.01 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1uy0 s THR 101 CO 0.06 0.17 -0.02 0.68 -0.54 0.00 0.00 174.62 174.97 1uy0 s VAL 102 N -1.31 0.19 0.03 2.29 -7.23 -0.54 -4.94 120.40 108.90 1uy0 s VAL 102 Ca 0.26 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 1uy0 s VAL 102 Cb -0.12 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.52 1uy0 s VAL 102 CO 0.19 -0.88 0.67 0.21 -0.31 0.00 0.00 175.10 174.98 1uy0 s ASN 103 N -2.61 7.10 -0.02 4.85 3.84 -1.26 -1.01 114.94 125.83 1uy0 s ASN 103 Ca 0.02 1.32 0.04 0.00 0.21 0.00 0.00 52.86 54.44 1uy0 s ASN 103 Cb 0.04 -2.42 -0.01 0.00 -0.55 0.00 0.00 41.25 38.32 1uy0 s ASN 103 CO -0.08 0.09 -0.13 -0.76 -2.79 0.00 0.00 177.10 173.43 1uy0 s LEU 104 N -0.26 1.94 0.47 3.21 1.43 -0.18 -4.91 118.68 120.38 1uy0 s LEU 104 Ca 0.34 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1uy0 s LEU 104 Cb -0.20 -0.70 -0.09 0.00 0.03 0.00 0.00 46.19 45.23 1uy0 s LEU 104 CO 0.20 0.13 1.01 -0.94 0.23 0.00 0.00 176.35 176.99 1uy0 s SER 105 N -0.11 6.53 0.49 2.29 1.04 -1.26 -1.67 113.70 121.01 1uy0 s SER 105 Ca 0.01 1.86 -0.23 0.00 0.48 0.00 0.00 55.95 58.07 1uy0 s SER 105 Cb -0.07 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 1uy0 s SER 105 CO 0.00 -0.65 1.32 0.00 0.98 0.00 0.00 173.24 174.89 1uy0 s ALA 106 N -2.03 2.99 0.00 5.32 0.00 -1.26 -4.71 121.76 122.06 1uy0 s ALA 106 Ca 0.66 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1uy0 s ALA 106 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1uy0 s ALA 106 CO 0.18 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1uy0 n GLY 107 N 0.64 0.43 3.72 0.00 0.00 -0.14 -4.94 105.19 104.91 1uy0 n GLY 107 Ca 0.08 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 1uy0 n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uy0 s SER 108 N -4.00 6.96 0.13 1.61 0.15 -1.26 -0.66 113.70 116.63 1uy0 s SER 108 Ca 0.00 1.15 0.11 0.00 0.70 0.00 0.00 55.95 57.90 1uy0 s SER 108 Cb 0.00 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1uy0 s SER 108 CO 0.00 -0.07 -0.25 -1.00 1.20 0.00 0.00 173.24 173.12 1uy0 s HIS 109 N 0.63 2.35 -0.33 3.44 4.02 0.90 -4.94 115.29 121.35 1uy0 s HIS 109 Ca 0.35 -0.36 0.04 0.00 1.02 0.00 0.00 55.06 56.11 1uy0 s HIS 109 Cb -0.18 -1.26 0.09 0.00 -1.02 0.00 0.00 32.58 30.22 1uy0 s HIS 109 CO 0.17 0.36 0.02 -0.65 1.02 0.00 0.00 174.74 175.66 1uy0 s GLN 110 N -2.10 1.60 0.44 1.40 -0.21 -1.26 -0.61 119.66 118.92 1uy0 s GLN 110 Ca 0.15 -1.77 -0.10 0.00 0.02 0.00 0.00 55.36 53.65 1uy0 s GLN 110 Cb -0.10 -3.14 -0.06 0.00 1.00 0.00 0.00 33.01 30.71 1uy0 s GLN 110 CO 0.07 -0.88 0.81 -0.06 -2.12 0.00 0.00 175.29 173.11 1uy0 s PHE 111 N 0.95 3.49 0.06 0.91 0.40 -1.26 0.06 117.98 122.59 1uy0 s PHE 111 Ca 0.07 1.07 -0.08 0.00 -0.60 0.00 0.00 56.93 57.39 1uy0 s PHE 111 Cb -0.19 -2.48 -0.00 0.00 0.51 0.00 0.00 43.02 40.86 1uy0 s PHE 111 CO -0.08 -0.20 0.16 0.20 0.70 0.00 0.00 175.22 176.01 1uy0 s GLY 112 N -3.35 0.11 -0.06 4.36 0.00 0.05 -0.62 107.32 107.81 1uy0 s GLY 112 Ca 0.52 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.73 1uy0 s GLY 112 CO 0.35 -0.70 -0.14 -0.42 0.00 0.00 0.00 173.10 172.18 1uy0 s ILE 113 N -3.26 1.27 -0.12 0.90 1.01 -0.12 -1.28 121.20 119.60 1uy0 s ILE 113 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1uy0 s ILE 113 Cb 0.02 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1uy0 s ILE 113 CO -0.08 0.38 -0.13 -0.75 0.00 0.00 0.00 174.94 174.36 1uy0 s LYS 114 N 0.41 3.24 -0.16 2.79 2.47 -0.24 -0.99 119.74 127.26 1uy0 s LYS 114 Ca -0.11 -0.69 -0.27 0.00 -1.56 0.00 0.00 55.97 53.34 1uy0 s LYS 114 Cb -0.14 -2.59 -0.01 0.00 -1.46 0.00 0.00 37.83 33.63 1uy0 s LYS 114 CO 0.03 0.29 0.93 0.00 0.16 0.00 0.00 175.35 176.76 1uy0 s ALA 115 N 0.16 3.52 -0.14 3.13 0.00 -0.01 -0.68 121.76 127.73 1uy0 s ALA 115 Ca -0.07 0.18 0.18 0.00 0.00 0.00 0.00 51.96 52.24 1uy0 s ALA 115 Cb -0.15 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 1uy0 s ALA 115 CO 0.05 -0.72 0.83 0.09 0.00 0.00 0.00 175.76 176.01 1uy0 n ASN 116 N 5.39 0.83 -3.73 0.00 3.02 -0.31 -0.84 115.26 119.61 1uy0 n ASN 116 Ca 0.07 0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 54.85 1uy0 n ASN 116 Cb 0.48 0.24 -0.09 0.00 -0.61 0.00 0.00 39.78 39.79 1uy0 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uy0 s ALA 117 N -2.98 -0.95 0.46 5.41 0.00 -1.12 -4.67 121.76 117.92 1uy0 s ALA 117 Ca -0.03 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1uy0 s ALA 117 Cb 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1uy0 s ALA 117 CO 0.81 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1uy0 n GLY 118 N 2.11 0.59 1.05 0.00 0.00 -1.26 -2.41 105.19 105.28 1uy0 n GLY 118 Ca -0.17 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1uy0 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uy0 n GLY 119 N 5.00 1.14 3.23 -0.02 0.00 -0.90 -3.60 105.19 110.03 1uy0 n GLY 119 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1uy0 n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uy0 s TRP 120 N -2.00 0.41 0.18 1.61 1.48 -1.26 -4.26 118.94 115.10 1uy0 s TRP 120 Ca 0.00 -0.82 0.11 0.00 -1.06 0.00 0.00 56.10 54.32 1uy0 s TRP 120 Cb 0.00 -0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 32.09 1uy0 s TRP 120 CO 0.00 -0.58 -0.21 -0.80 -4.06 0.00 0.00 176.95 171.31 1uy0 s ASN 121 N -2.94 3.65 -0.06 -2.66 0.01 0.56 -4.29 114.94 109.21 1uy0 s ASN 121 Ca 0.13 -0.77 -0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1uy0 s ASN 121 Cb 0.05 -0.38 0.02 0.00 0.41 0.00 0.00 41.25 41.36 1uy0 s ASN 121 CO -0.05 0.13 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.42 1uy0 s LEU 122 N -2.60 1.02 -0.24 0.60 2.96 -0.54 -2.08 118.68 117.80 1uy0 s LEU 122 Ca 0.21 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.81 1uy0 s LEU 122 Cb -0.09 -0.50 -0.16 0.00 0.50 0.00 0.00 46.19 45.94 1uy0 s LEU 122 CO 0.11 -0.12 -0.07 -3.20 -1.32 0.00 0.00 176.35 171.75 1uy0 n ASN 123 N 4.60 1.92 -3.67 3.68 5.15 0.01 -0.76 115.26 126.19 1uy0 n ASN 123 Ca -0.16 0.36 -0.09 0.00 -0.60 0.00 0.00 54.58 54.09 1uy0 n ASN 123 Cb 0.50 -0.88 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 1uy0 n ASN 123 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1uy0 s TRP 124 N -2.44 -0.32 0.08 1.20 1.48 -1.25 -1.12 118.94 116.56 1uy0 s TRP 124 Ca -0.34 -0.02 0.08 0.00 -1.06 0.00 0.00 56.10 54.76 1uy0 s TRP 124 Cb 0.10 0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 33.00 1uy0 s TRP 124 CO 0.55 -1.05 -0.20 0.42 -4.06 0.00 0.00 176.95 172.61 1uy0 s ILE 125 N -3.85 1.65 -0.02 0.66 1.09 0.47 -1.34 121.20 119.87 1uy0 s ILE 125 Ca 0.07 -1.39 0.01 0.00 -1.10 0.00 0.00 60.65 58.23 1uy0 s ILE 125 Cb -0.03 -1.48 0.02 0.00 -1.06 0.00 0.00 42.46 39.90 1uy0 s ILE 125 CO -0.02 0.03 -0.01 -0.60 -0.10 0.00 0.00 174.94 174.23 1uy0 s ARG 126 N -1.62 0.34 -0.18 2.79 3.52 -0.04 -0.45 118.95 123.32 1uy0 s ARG 126 Ca 0.06 -0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 1uy0 s ARG 126 Cb -0.09 -0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 1uy0 s ARG 126 CO 0.03 -0.06 0.00 0.42 -0.81 0.00 0.00 175.30 174.88 1uy0 s ILE 127 N 0.66 4.17 0.09 4.11 1.01 0.10 -0.44 121.20 130.90 1uy0 s ILE 127 Ca -0.07 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.40 1uy0 s ILE 127 Cb -0.10 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1uy0 s ILE 127 CO -0.01 0.46 -0.18 0.20 0.00 0.00 0.00 174.94 175.42 1uy0 s ASN 128 N 0.56 2.10 0.68 3.58 0.01 0.37 -0.67 114.94 121.58 1uy0 s ASN 128 Ca -0.01 -0.65 -0.13 0.00 -0.71 0.00 0.00 52.86 51.36 1uy0 s ASN 128 Cb -0.14 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.44 1uy0 s ASN 128 CO 0.02 -0.01 1.09 -0.54 -1.51 0.00 0.00 177.10 176.15 1uy0 s LYS 129 N -1.82 2.77 -0.09 -0.60 1.02 0.36 -1.03 119.74 120.35 1uy0 s LYS 129 Ca 0.02 1.21 0.12 0.00 0.02 0.00 0.00 55.97 57.34 1uy0 s LYS 129 Cb -0.10 -1.96 -0.17 0.00 -0.52 0.00 0.00 37.83 35.08 1uy0 s LYS 129 CO 0.03 -1.25 0.12 0.25 -0.92 0.00 0.00 175.35 173.59 1uy0 n THR 130 N -2.78 0.59 0.00 2.17 -2.24 -1.24 -4.61 114.28 106.17 1uy0 n THR 130 Ca 0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1uy0 n THR 130 Cb 0.53 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1uy0 n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91