#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uyz s VAL 2 N 0.00 4.75 -0.16 1.12 1.01 -1.26 -0.84 120.40 125.02 1uyz s VAL 2 Ca 0.00 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 1uyz s VAL 2 Cb 0.00 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.85 1uyz s VAL 2 CO 0.00 0.03 0.49 0.40 0.00 0.00 0.00 175.10 176.02 1uyz h ILE 3 N 5.04 1.27 -2.31 2.22 1.08 -0.99 -3.48 117.51 120.34 1uyz h ILE 3 Ca -0.33 -2.29 -0.07 0.00 -0.39 0.00 0.00 64.86 61.78 1uyz h ILE 3 Cb 1.16 2.76 -0.21 0.00 -3.07 0.00 0.00 36.82 37.45 1uyz h ILE 3 CO 0.84 0.50 -0.00 0.00 -0.69 0.00 0.00 178.15 178.80 1uyz s ALA 4 N -2.33 -1.47 -0.17 1.87 0.00 -1.07 -4.96 121.76 113.64 1uyz s ALA 4 Ca -0.23 1.50 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 1uyz s ALA 4 Cb 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1uyz s ALA 4 CO 0.66 -0.30 -0.03 0.99 0.00 0.00 0.00 175.76 177.09 1uyz s THR 5 N -0.10 3.87 -0.20 0.00 2.01 -1.26 -0.97 115.64 118.98 1uyz s THR 5 Ca -0.03 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1uyz s THR 5 Cb -0.03 -2.71 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1uyz s THR 5 CO 0.03 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.64 1uyz s ILE 6 N 0.52 2.18 0.21 1.82 1.01 -0.03 -5.00 121.20 121.92 1uyz s ILE 6 Ca -0.03 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 1uyz s ILE 6 Cb -0.14 -2.01 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1uyz s ILE 6 CO 0.03 0.39 1.37 -1.10 0.00 0.00 0.00 174.94 175.62 1uyz s GLN 7 N 1.26 4.34 0.39 2.79 -1.52 -1.26 -0.74 119.66 124.92 1uyz s GLN 7 Ca 0.02 2.15 0.06 0.00 -1.95 0.00 0.00 55.36 55.64 1uyz s GLN 7 Cb -0.15 -3.16 0.80 0.00 -0.22 0.00 0.00 33.01 30.28 1uyz s GLN 7 CO -0.10 -0.33 2.04 0.00 -0.25 0.00 0.00 175.29 176.64 1uyz h ALA 8 N 5.31 1.65 0.00 6.09 0.00 -1.51 -1.57 119.26 129.23 1uyz h ALA 8 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1uyz h ALA 8 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1uyz h ALA 8 CO 0.78 0.31 0.00 -0.85 0.00 0.00 0.00 179.25 179.49 1uyz n GLU 9 N -4.45 0.14 -0.82 0.00 0.00 -1.26 -3.66 120.64 110.59 1uyz n GLU 9 Ca 0.03 0.34 -0.16 0.00 0.00 0.00 0.00 57.16 57.37 1uyz n GLU 9 Cb 0.07 -1.76 0.07 0.00 0.00 0.00 0.00 31.44 29.83 1uyz n GLU 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uyz n ASP 10 N -2.02 5.09 -4.78 -1.84 8.00 -0.59 -4.93 116.55 115.47 1uyz n ASP 10 Ca 0.03 -3.04 -0.36 0.00 0.71 0.00 0.00 54.79 52.14 1uyz n ASP 10 Cb 0.24 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1uyz n ASP 10 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1uyz s HIS 11 N -1.98 3.03 -0.16 1.24 -3.43 -1.24 -4.91 115.29 107.84 1uyz s HIS 11 Ca 0.34 1.59 0.17 0.00 -0.80 0.00 0.00 55.06 56.36 1uyz s HIS 11 Cb 0.27 -3.18 -0.02 0.00 -1.43 0.00 0.00 32.58 28.22 1uyz s HIS 11 CO 0.03 -0.98 1.13 0.66 -2.00 0.00 0.00 174.74 173.57 1uyz h SER 12 N 1.95 0.00 -5.09 7.38 4.64 -1.35 -3.47 113.55 117.61 1uyz h SER 12 Ca -0.49 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 1uyz h SER 12 Cb 1.23 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.16 1uyz h SER 12 CO 0.60 0.45 -0.34 -1.58 -0.87 0.00 0.00 176.83 175.09 1uyz s GLN 13 N -3.00 0.78 0.21 4.77 0.74 -1.18 -4.98 119.66 117.00 1uyz s GLN 13 Ca 0.00 -0.71 -0.13 0.00 0.05 0.00 0.00 55.36 54.57 1uyz s GLN 13 Cb 0.08 0.32 0.01 0.00 1.10 0.00 0.00 33.01 34.52 1uyz s GLN 13 CO 0.78 -0.24 0.45 1.14 -0.55 0.00 0.00 175.29 176.86 1uyz s GLN 14 N -3.00 1.40 -0.07 1.67 1.03 -1.26 -0.67 119.66 118.76 1uyz s GLN 14 Ca -0.02 -1.10 -0.03 0.00 0.04 0.00 0.00 55.36 54.25 1uyz s GLN 14 Cb 0.01 0.47 0.04 0.00 0.03 0.00 0.00 33.01 33.55 1uyz s GLN 14 CO -0.06 -0.57 0.14 0.45 -2.54 0.00 0.00 175.29 172.71 1uyz s SER 15 N -2.96 0.19 0.00 12.60 0.15 -0.29 -4.95 113.70 118.43 1uyz s SER 15 Ca 0.17 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1uyz s SER 15 Cb 0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1uyz s SER 15 CO 0.03 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1uyz n GLY 16 N 4.57 0.82 3.79 9.45 0.00 -1.26 -2.17 105.19 120.38 1uyz n GLY 16 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1uyz n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uyz s THR 17 N -3.16 1.59 -0.11 2.61 -4.23 -1.26 -4.71 115.64 106.37 1uyz s THR 17 Ca 0.00 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 1uyz s THR 17 Cb 0.00 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1uyz s THR 17 CO 0.00 0.00 0.30 -1.58 -0.54 0.00 0.00 174.62 172.80 1uyz s GLN 18 N -3.99 0.34 0.41 3.99 0.74 -0.93 -5.01 119.66 115.21 1uyz s GLN 18 Ca 0.23 0.43 -0.20 0.00 0.05 0.00 0.00 55.36 55.87 1uyz s GLN 18 Cb 0.02 0.15 -0.11 0.00 1.10 0.00 0.00 33.01 34.17 1uyz s GLN 18 CO 0.13 -0.05 0.91 -0.65 -0.55 0.00 0.00 175.29 175.08 1uyz s GLN 19 N 0.23 4.19 0.13 1.67 -0.21 -1.26 -0.36 119.66 124.05 1uyz s GLN 19 Ca -0.01 1.04 -0.11 0.00 0.02 0.00 0.00 55.36 56.30 1uyz s GLN 19 Cb -0.03 -2.23 0.01 0.00 1.00 0.00 0.00 33.01 31.76 1uyz s GLN 19 CO -0.00 0.01 0.29 -1.83 -2.12 0.00 0.00 175.29 171.63 1uyz s GLU 20 N -3.13 1.04 0.24 2.91 -1.05 -0.43 -4.88 118.70 113.39 1uyz s GLU 20 Ca 0.60 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 54.16 1uyz s GLU 20 Cb -0.09 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.90 1uyz s GLU 20 CO 0.14 -0.37 1.21 0.99 0.95 0.00 0.00 175.26 178.17 1uyz s THR 21 N -3.89 3.32 0.03 1.83 2.01 -1.26 -0.83 115.64 116.86 1uyz s THR 21 Ca 0.09 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.32 1uyz s THR 21 Cb 0.03 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1uyz s THR 21 CO -0.07 0.24 0.00 0.28 -0.69 0.00 0.00 174.62 174.38 1uyz s THR 22 N -0.57 4.10 -2.35 -0.82 -1.32 -0.83 -4.71 115.64 109.14 1uyz s THR 22 Ca 0.50 -0.75 0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1uyz s THR 22 Cb -0.34 -2.88 0.47 0.00 -1.51 0.00 0.00 72.50 68.24 1uyz s THR 22 CO 0.41 0.27 1.44 0.35 -2.21 0.00 0.00 174.62 174.89 1uyz n THR 23 N 1.07 0.57 -0.77 5.08 -2.24 -1.26 -4.28 114.28 112.44 1uyz n THR 23 Ca -0.13 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.59 1uyz n THR 23 Cb 0.52 0.80 0.16 0.00 -2.10 0.00 0.00 70.33 69.71 1uyz n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uyz s ASP 24 N -1.38 3.05 -0.10 3.42 2.15 -1.26 -4.81 116.67 117.74 1uyz s ASP 24 Ca 0.40 2.21 -0.39 0.00 0.43 0.00 0.00 52.55 55.20 1uyz s ASP 24 Cb 0.22 -2.57 -0.17 0.00 -0.30 0.00 0.00 42.92 40.10 1uyz s ASP 24 CO 0.31 -3.02 1.47 0.41 -0.17 0.00 0.00 175.17 174.17 1uyz n THR 25 N -4.07 0.11 0.00 1.71 -1.04 -1.26 -1.28 114.28 108.44 1uyz n THR 25 Ca 0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1uyz n THR 25 Cb 0.52 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1uyz n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uyz n GLY 26 N 3.10 0.59 7.00 3.41 0.00 -1.26 -4.99 105.19 113.04 1uyz n GLY 26 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1uyz n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 27 N -2.00 1.90 6.04 -0.02 0.00 -0.41 -4.99 105.19 105.71 1uyz n GLY 27 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1uyz n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 28 N 0.00 0.42 3.24 -0.02 0.00 -1.26 -4.79 105.19 102.78 1uyz n GLY 28 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1uyz n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uyz s LYS 29 N 0.00 1.02 0.27 1.61 1.02 -1.26 -1.96 119.74 120.43 1uyz s LYS 29 Ca 0.00 -1.29 0.09 0.00 0.02 0.00 0.00 55.97 54.79 1uyz s LYS 29 Cb 0.00 -0.80 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1uyz s LYS 29 CO 0.00 0.14 -0.14 0.54 -0.92 0.00 0.00 175.35 174.96 1uyz s ASN 30 N -2.65 3.15 -0.03 2.83 2.20 -0.01 -4.72 114.94 115.71 1uyz s ASN 30 Ca 0.11 -1.08 -0.21 0.00 -0.94 0.00 0.00 52.86 50.74 1uyz s ASN 30 Cb -0.03 -0.23 -0.05 0.00 -2.00 0.00 0.00 41.25 38.94 1uyz s ASN 30 CO 0.02 -0.12 0.62 -0.69 -2.94 0.00 0.00 177.10 173.98 1uyz s VAL 31 N -2.75 4.97 0.12 3.54 1.01 -0.05 -1.32 120.40 125.92 1uyz s VAL 31 Ca 0.28 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1uyz s VAL 31 Cb -0.01 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1uyz s VAL 31 CO 0.12 0.36 0.04 0.61 0.00 0.00 0.00 175.10 176.23 1uyz n GLY 32 N 2.72 3.87 3.72 4.51 0.00 0.52 -1.65 105.19 118.88 1uyz n GLY 32 Ca -0.05 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 1uyz n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uyz n TYR 33 N -0.28 -2.02 -3.52 1.61 4.02 -1.26 -2.20 117.16 113.51 1uyz n TYR 33 Ca -0.02 0.86 -0.37 0.00 -0.01 0.00 0.00 57.90 58.36 1uyz n TYR 33 Cb 0.18 -4.38 -0.08 0.00 -0.02 0.00 0.00 39.34 35.03 1uyz n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1uyz s ILE 34 N -3.58 5.28 0.21 -0.72 1.01 -1.26 -4.20 121.20 117.94 1uyz s ILE 34 Ca 0.13 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1uyz s ILE 34 Cb -0.07 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1uyz s ILE 34 CO 0.81 0.30 0.08 -1.81 0.00 0.00 0.00 174.94 174.32 1uyz s ASP 35 N 1.01 0.91 0.09 3.58 1.01 -1.26 -2.71 116.67 119.30 1uyz s ASP 35 Ca 0.14 -1.32 -0.34 0.00 0.71 0.00 0.00 52.55 51.74 1uyz s ASP 35 Cb -0.14 0.21 -0.13 0.00 1.01 0.00 0.00 42.92 43.86 1uyz s ASP 35 CO 0.06 -0.71 1.65 0.00 0.21 0.00 0.00 175.17 176.38 1uyz n ALA 36 N -0.34 1.18 0.00 5.23 0.00 -1.26 -1.35 120.51 123.97 1uyz n ALA 36 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1uyz n ALA 36 Cb 0.65 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1uyz n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyz n GLY 37 N 3.65 2.79 3.75 0.00 0.00 -0.57 -5.01 105.19 109.81 1uyz n GLY 37 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1uyz n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uyz s ASP 38 N 0.15 4.68 0.15 1.61 1.01 -0.46 -4.79 116.67 119.02 1uyz s ASP 38 Ca 0.00 2.12 -0.16 0.00 0.71 0.00 0.00 52.55 55.23 1uyz s ASP 38 Cb 0.00 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.40 1uyz s ASP 38 CO 0.00 -1.92 0.43 -1.66 0.21 0.00 0.00 175.17 172.22 1uyz s TRP 39 N -2.25 -0.13 -0.07 4.23 1.48 -0.92 -0.91 118.94 120.37 1uyz s TRP 39 Ca 0.69 -0.19 0.01 0.00 -1.06 0.00 0.00 56.10 55.55 1uyz s TRP 39 Cb -0.23 0.27 0.02 0.00 -1.16 0.00 0.00 33.47 32.37 1uyz s TRP 39 CO 0.44 -0.76 -0.06 -0.51 -4.06 0.00 0.00 176.95 171.99 1uyz s LEU 40 N -2.84 1.28 -0.13 -4.66 1.43 -0.11 -1.14 118.68 112.51 1uyz s LEU 40 Ca 0.06 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1uyz s LEU 40 Cb 0.01 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1uyz s LEU 40 CO -0.09 -0.06 -0.02 -0.55 0.23 0.00 0.00 176.35 175.86 1uyz s SER 41 N 1.15 4.96 -0.30 2.29 0.15 0.16 -0.72 113.70 121.39 1uyz s SER 41 Ca -0.07 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1uyz s SER 41 Cb -0.14 -1.65 0.52 0.00 -1.71 0.00 0.00 66.02 63.04 1uyz s SER 41 CO -0.01 0.24 1.50 -1.22 1.20 0.00 0.00 173.24 174.95 1uyz n TYR 42 N 3.03 1.23 0.25 3.44 4.02 0.20 -0.88 117.16 128.45 1uyz n TYR 42 Ca -0.18 -1.61 0.08 0.00 -0.01 0.00 0.00 57.90 56.18 1uyz n TYR 42 Cb 0.53 -0.52 0.62 0.00 -0.02 0.00 0.00 39.34 39.94 1uyz n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uyz h ALA 43 N 1.02 1.66 0.00 -0.72 0.00 -1.87 -2.15 119.26 117.21 1uyz h ALA 43 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1uyz h ALA 43 Cb 1.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1uyz h ALA 43 CO 0.44 0.14 -0.05 0.78 0.00 0.00 0.00 179.25 180.56 1uyz h GLY 44 N 0.43 0.00 -6.89 0.00 0.00 -1.94 -3.33 103.07 91.34 1uyz h GLY 44 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1uyz h GLY 44 CO 0.01 0.00 -0.63 -1.30 0.00 0.00 0.00 176.54 174.62 1uyz n THR 45 N -3.33 1.33 -1.81 4.70 -2.24 -0.81 -5.07 114.28 107.06 1uyz n THR 45 Ca -0.01 -4.72 -0.39 0.00 -2.27 0.00 0.00 64.05 56.65 1uyz n THR 45 Cb 0.21 -2.11 0.02 0.00 -2.10 0.00 0.00 70.33 66.35 1uyz n THR 45 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1uyz s PRO 46 N -1.38 3.58 -0.08 -0.78 0.02 -1.25 -4.83 135.00 130.27 1uyz s PRO 46 Ca 0.28 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.67 1uyz s PRO 46 Cb -0.01 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 1uyz s PRO 46 CO -0.16 -0.89 -0.11 0.08 -0.33 0.00 0.00 177.00 175.59 1uyz s VAL 47 N -1.23 3.27 -0.17 3.83 1.01 0.12 -4.90 120.40 122.33 1uyz s VAL 47 Ca 0.63 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1uyz s VAL 47 Cb -0.43 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1uyz s VAL 47 CO 0.54 0.57 0.49 0.21 0.00 0.00 0.00 175.10 176.90 1uyz s ASN 48 N -0.38 6.60 -0.30 3.32 3.84 -1.26 -0.48 114.94 126.28 1uyz s ASN 48 Ca 0.04 0.71 -0.11 0.00 0.21 0.00 0.00 52.86 53.72 1uyz s ASN 48 Cb -0.12 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.26 1uyz s ASN 48 CO 0.02 -0.09 0.18 -0.63 -2.79 0.00 0.00 177.10 173.79 1uyz s ILE 49 N 1.19 5.02 0.27 -5.21 -1.09 0.00 -4.97 121.20 116.41 1uyz s ILE 49 Ca 0.24 -0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.63 1uyz s ILE 49 Cb -0.15 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1uyz s ILE 49 CO 0.10 0.16 1.62 1.55 -1.23 0.00 0.00 174.94 177.13 1uyz h PRO 50 N 8.38 0.15 -2.96 2.79 0.13 -1.91 0.10 132.00 138.67 1uyz h PRO 50 Ca -0.34 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1uyz h PRO 50 Cb 1.17 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1uyz h PRO 50 CO 0.59 0.67 -0.25 -1.54 -0.23 0.00 0.00 178.00 177.24 1uyz s SER 51 N -6.88 -0.23 0.29 1.44 1.04 -1.26 -4.81 113.70 103.29 1uyz s SER 51 Ca -0.03 0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.25 1uyz s SER 51 Cb 0.13 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 1uyz s SER 51 CO 0.78 -0.45 1.27 -0.44 0.98 0.00 0.00 173.24 175.38 1uyz s SER 52 N -1.28 6.89 0.00 7.02 0.01 -1.26 -4.34 113.70 120.74 1uyz s SER 52 Ca -0.13 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1uyz s SER 52 Cb -0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1uyz s SER 52 CO 0.05 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1uyz n GLY 53 N 1.28 0.29 3.72 3.44 0.00 -0.58 -4.93 105.19 108.42 1uyz n GLY 53 Ca 0.01 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1uyz n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyz s SER 54 N -4.00 7.24 0.04 1.61 0.15 -1.26 -1.13 113.70 116.35 1uyz s SER 54 Ca 0.00 1.49 0.06 0.00 0.70 0.00 0.00 55.95 58.20 1uyz s SER 54 Cb 0.00 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1uyz s SER 54 CO 0.00 -0.11 -0.17 -0.31 1.20 0.00 0.00 173.24 173.85 1uyz s TYR 55 N 0.50 1.49 -0.29 3.44 1.51 0.10 -3.75 117.35 120.34 1uyz s TYR 55 Ca 0.43 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 56.01 1uyz s TYR 55 Cb -0.20 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1uyz s TYR 55 CO 0.24 0.05 0.29 -1.17 -1.11 0.00 0.00 175.55 173.86 1uyz s LEU 56 N -1.08 4.14 -0.21 -1.29 2.96 -0.09 -1.25 118.68 121.86 1uyz s LEU 56 Ca 0.05 0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1uyz s LEU 56 Cb -0.08 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1uyz s LEU 56 CO 0.01 -0.17 0.08 -0.63 -1.32 0.00 0.00 176.35 174.32 1uyz s ILE 57 N 1.92 4.73 0.01 6.68 -1.09 0.18 -0.87 121.20 132.77 1uyz s ILE 57 Ca 0.11 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 1uyz s ILE 57 Cb -0.16 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1uyz s ILE 57 CO 0.11 0.41 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.55 1uyz s GLU 58 N 0.80 2.53 -0.05 2.79 2.02 0.34 -1.58 118.70 125.55 1uyz s GLU 58 Ca 0.04 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.31 1uyz s GLU 58 Cb -0.13 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.61 1uyz s GLU 58 CO 0.02 0.59 -0.10 0.71 0.02 0.00 0.00 175.26 176.51 1uyz s TYR 59 N -1.02 1.16 -0.47 1.61 1.51 -0.05 -0.84 117.35 119.24 1uyz s TYR 59 Ca 0.18 -0.36 -0.19 0.00 -1.01 0.00 0.00 57.07 55.69 1uyz s TYR 59 Cb -0.11 -0.86 0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1uyz s TYR 59 CO 0.08 -0.19 0.56 0.50 -1.11 0.00 0.00 175.55 175.39 1uyz s ARG 60 N 0.53 3.13 0.15 -0.62 6.06 -0.45 -1.28 118.95 126.47 1uyz s ARG 60 Ca -0.10 -0.80 0.07 0.00 -2.50 0.00 0.00 55.73 52.40 1uyz s ARG 60 Cb -0.13 -4.04 -0.04 0.00 0.06 0.00 0.00 34.95 30.80 1uyz s ARG 60 CO 0.02 -1.08 -0.14 0.14 -2.50 0.00 0.00 175.30 171.74 1uyz s VAL 61 N 2.47 1.48 0.01 7.11 -7.23 -0.16 -0.60 120.40 123.49 1uyz s VAL 61 Ca 0.15 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1uyz s VAL 61 Cb -0.18 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1uyz s VAL 61 CO 0.13 -0.50 -0.02 0.00 -0.31 0.00 0.00 175.10 174.40 1uyz s ALA 62 N -2.53 0.09 -0.26 1.32 0.00 -0.92 -1.34 121.76 118.12 1uyz s ALA 62 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 1uyz s ALA 62 Cb -0.03 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.28 1uyz s ALA 62 CO 0.04 -0.08 0.58 0.45 0.00 0.00 0.00 175.76 176.75 1uyz s SER 63 N -0.80 -0.85 0.08 0.00 0.15 -1.18 -0.09 113.70 111.00 1uyz s SER 63 Ca -0.09 1.38 -0.21 0.00 0.70 0.00 0.00 55.95 57.74 1uyz s SER 63 Cb -0.06 1.84 -0.11 0.00 -1.71 0.00 0.00 66.02 65.99 1uyz s SER 63 CO -0.01 -0.22 1.59 -0.61 1.20 0.00 0.00 173.24 175.19 1uyz h GLN 64 N 7.85 0.23 0.00 5.44 4.15 -1.70 -0.28 115.11 130.81 1uyz h GLN 64 Ca -0.20 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1uyz h GLN 64 Cb 1.13 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1uyz h GLN 64 CO 0.12 0.36 0.00 0.09 -1.93 0.00 0.00 178.83 177.47 1uyz n ASN 65 N -4.85 0.77 -0.41 -0.69 3.02 -1.26 -4.31 115.26 107.54 1uyz n ASN 65 Ca -0.05 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1uyz n ASN 65 Cb 0.14 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1uyz n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uyz n GLY 66 N 0.23 -1.27 1.02 7.41 0.00 -1.26 -4.71 105.19 106.61 1uyz n GLY 66 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1uyz n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 67 N 0.00 0.79 3.90 -0.02 0.00 -1.24 -4.83 105.19 103.80 1uyz n GLY 67 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1uyz n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyz s GLY 68 N -1.57 1.59 0.05 -0.02 0.00 -1.21 -4.73 107.32 101.41 1uyz s GLY 68 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 44.72 43.97 1uyz s GLY 68 CO 0.00 -0.27 0.50 -1.35 0.00 0.00 0.00 173.10 171.98 1uyz s SER 69 N -4.24 -0.42 0.14 1.64 1.04 -0.97 -1.03 113.70 109.86 1uyz s SER 69 Ca 0.53 0.14 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1uyz s SER 69 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1uyz s SER 69 CO 0.47 -0.72 0.01 -1.48 0.98 0.00 0.00 173.24 172.50 1uyz s LEU 70 N -2.01 2.08 -0.14 2.42 0.05 -0.74 -1.73 118.68 118.61 1uyz s LEU 70 Ca -0.05 -1.15 0.02 0.00 0.05 0.00 0.00 54.13 53.00 1uyz s LEU 70 Cb -0.01 0.09 0.01 0.00 -2.05 0.00 0.00 46.19 44.24 1uyz s LEU 70 CO -0.02 -0.62 -0.20 -0.89 -0.55 0.00 0.00 176.35 174.07 1uyz s THR 71 N -3.82 1.92 -0.18 5.48 2.01 0.18 -1.69 115.64 119.54 1uyz s THR 71 Ca 0.21 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 1uyz s THR 71 Cb 0.07 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1uyz s THR 71 CO 0.01 0.52 0.29 0.12 -0.69 0.00 0.00 174.62 174.87 1uyz s PHE 72 N 0.95 3.43 0.36 4.92 5.36 0.40 -1.29 117.98 132.10 1uyz s PHE 72 Ca -0.05 0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 56.36 1uyz s PHE 72 Cb -0.15 -2.36 0.03 0.00 -0.34 0.00 0.00 43.02 40.21 1uyz s PHE 72 CO -0.04 0.18 0.66 -1.83 -1.46 0.00 0.00 175.22 172.72 1uyz s GLU 73 N 0.68 2.06 0.39 10.12 -1.05 -0.56 -0.40 118.70 129.94 1uyz s GLU 73 Ca 0.15 -1.52 -0.23 0.00 -0.15 0.00 0.00 54.97 53.22 1uyz s GLU 73 Cb -0.13 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.01 1uyz s GLU 73 CO 0.04 -0.92 0.95 -1.21 0.95 0.00 0.00 175.26 175.07 1uyz s GLU 74 N -2.75 4.37 0.42 -4.83 0.41 -0.64 -0.73 118.70 114.95 1uyz s GLU 74 Ca 0.21 1.22 -0.25 0.00 -0.41 0.00 0.00 54.97 55.74 1uyz s GLU 74 Cb -0.03 -2.45 -0.10 0.00 -1.78 0.00 0.00 34.13 29.77 1uyz s GLU 74 CO 0.14 0.09 1.28 0.00 -0.49 0.00 0.00 175.26 176.28 1uyz n ALA 75 N -0.13 1.34 0.00 5.21 0.00 0.60 -1.29 120.51 126.24 1uyz n ALA 75 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1uyz n ALA 75 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1uyz n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uyz n GLY 76 N 0.80 3.12 0.00 0.00 0.00 -1.26 -4.57 105.19 103.27 1uyz n GLY 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1uyz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 77 N -1.06 1.00 3.31 -0.02 0.00 -0.41 -5.10 105.19 102.92 1uyz n GLY 77 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1uyz n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uyz s ALA 78 N -2.00 -1.04 0.61 4.61 0.00 -1.24 -4.15 121.76 118.55 1uyz s ALA 78 Ca 0.00 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 1uyz s ALA 78 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1uyz s ALA 78 CO 0.00 -0.20 1.08 -1.25 0.00 0.00 0.00 175.76 175.39 1uyz s PRO 79 N 0.23 3.17 0.09 0.00 0.04 -1.26 -4.60 135.00 132.67 1uyz s PRO 79 Ca -0.00 1.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.07 1uyz s PRO 79 Cb -0.03 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1uyz s PRO 79 CO 0.01 -0.94 0.85 0.08 0.04 0.00 0.00 177.00 177.04 1uyz s VAL 80 N -2.34 4.58 -0.21 -0.36 1.01 -1.26 -1.63 120.40 120.20 1uyz s VAL 80 Ca 0.66 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 64.46 1uyz s VAL 80 Cb -0.18 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 1uyz s VAL 80 CO 0.37 0.36 0.00 1.41 0.00 0.00 0.00 175.10 177.24 1uyz n HIS 81 N 2.64 0.48 0.00 5.22 -0.00 0.46 -4.97 115.22 119.06 1uyz n HIS 81 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1uyz n HIS 81 Cb 0.49 -1.06 0.00 0.00 -0.00 0.00 0.00 29.99 29.42 1uyz n HIS 81 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1uyz n GLY 82 N 2.16 0.40 3.34 -1.41 0.00 -0.82 -4.58 105.19 104.27 1uyz n GLY 82 Ca -0.41 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1uyz n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uyz s THR 83 N -2.00 1.81 -0.13 2.61 -4.23 -1.26 -0.46 115.64 111.98 1uyz s THR 83 Ca 0.00 -2.06 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1uyz s THR 83 Cb 0.00 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.94 1uyz s THR 83 CO 0.00 -0.44 0.36 -0.51 -0.54 0.00 0.00 174.62 173.49 1uyz s ILE 84 N -2.45 0.00 0.16 2.99 2.07 -0.68 -5.01 121.20 118.29 1uyz s ILE 84 Ca 0.19 -0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.15 1uyz s ILE 84 Cb -0.04 -0.51 -0.08 0.00 0.13 0.00 0.00 42.46 41.96 1uyz s ILE 84 CO 0.07 -0.02 0.77 0.00 -1.91 0.00 0.00 174.94 173.85 1uyz s ALA 85 N 0.09 3.46 -0.28 1.50 0.00 -1.26 -1.79 121.76 123.47 1uyz s ALA 85 Ca -0.01 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1uyz s ALA 85 Cb -0.03 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1uyz s ALA 85 CO 0.01 0.30 0.08 0.42 0.00 0.00 0.00 175.76 176.56 1uyz s ILE 86 N -1.13 4.14 0.68 0.00 1.01 -0.20 -4.96 121.20 120.74 1uyz s ILE 86 Ca 0.35 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1uyz s ILE 86 Cb -0.23 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1uyz s ILE 86 CO 0.26 0.18 1.06 -2.16 0.00 0.00 0.00 174.94 174.28 1uyz s PRO 87 N 1.55 3.04 0.31 2.79 0.04 -1.26 -3.56 135.00 137.91 1uyz s PRO 87 Ca 0.04 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.57 1uyz s PRO 87 Cb -0.16 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1uyz s PRO 87 CO 0.03 -0.98 1.46 0.00 0.04 0.00 0.00 177.00 177.55 1uyz s ALA 88 N -3.15 3.61 -0.56 8.56 0.00 -1.26 -4.48 121.76 124.48 1uyz s ALA 88 Ca 0.57 1.43 0.07 0.00 0.00 0.00 0.00 51.96 54.03 1uyz s ALA 88 Cb -0.13 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1uyz s ALA 88 CO 0.54 -0.86 0.47 0.25 0.00 0.00 0.00 175.76 176.17 1uyz n THR 89 N 1.47 0.00 0.00 0.00 -2.24 -0.12 -4.92 114.28 108.47 1uyz n THR 89 Ca 0.04 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1uyz n THR 89 Cb 0.40 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1uyz n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uyz n GLY 90 N 0.80 0.42 0.00 3.38 0.00 -1.19 -4.83 105.19 103.77 1uyz n GLY 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1uyz n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 91 N -1.63 1.83 0.29 -0.02 0.00 -1.21 -4.91 105.19 99.55 1uyz n GLY 91 Ca 0.00 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.20 1uyz n GLY 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uyz h TRP 92 N 0.00 0.00 -0.01 1.61 -0.00 -1.91 -2.65 115.95 113.00 1uyz h TRP 92 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1uyz h TRP 92 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.16 29.03 1uyz h TRP 92 CO 0.00 0.05 -0.67 1.04 -0.00 0.00 0.00 178.44 178.85 1uyz n GLN 93 N -3.26 1.12 -3.71 0.49 1.13 -1.26 -4.71 117.38 107.17 1uyz n GLN 93 Ca -0.01 -2.91 -0.38 0.00 -1.94 0.00 0.00 57.00 51.75 1uyz n GLN 93 Cb 0.23 -1.13 -0.12 0.00 0.11 0.00 0.00 30.24 29.33 1uyz n GLN 93 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1uyz s THR 94 N -2.25 4.06 -0.02 5.09 2.01 -1.01 -4.75 115.64 118.78 1uyz s THR 94 Ca 0.37 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1uyz s THR 94 Cb 0.38 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1uyz s THR 94 CO -0.10 -0.11 0.07 0.26 -0.69 0.00 0.00 174.62 174.05 1uyz s TRP 95 N 1.48 3.27 0.10 4.92 0.52 -1.26 -4.37 118.94 123.60 1uyz s TRP 95 Ca 0.01 0.21 -0.07 0.00 0.02 0.00 0.00 56.10 56.26 1uyz s TRP 95 Cb -0.19 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1uyz s TRP 95 CO 0.04 0.54 0.17 -0.08 0.02 0.00 0.00 176.95 177.64 1uyz s THR 96 N -1.15 0.13 -0.21 2.01 -1.32 -0.45 -4.99 115.64 109.67 1uyz s THR 96 Ca 0.21 -1.38 -0.06 0.00 -1.21 0.00 0.00 61.69 59.25 1uyz s THR 96 Cb -0.12 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1uyz s THR 96 CO 0.12 -0.61 0.03 -0.89 -2.21 0.00 0.00 174.62 171.06 1uyz s THR 97 N -3.91 4.16 0.32 5.08 2.01 -1.26 -0.98 115.64 121.06 1uyz s THR 97 Ca 0.10 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1uyz s THR 97 Cb 0.05 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1uyz s THR 97 CO -0.07 0.41 0.09 0.27 -0.69 0.00 0.00 174.62 174.63 1uyz s ILE 98 N 1.05 3.09 0.08 1.82 -4.36 -0.41 -4.95 121.20 117.52 1uyz s ILE 98 Ca 0.03 -1.78 -0.20 0.00 -0.26 0.00 0.00 60.65 58.43 1uyz s ILE 98 Cb -0.14 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.69 1uyz s ILE 98 CO 0.02 -0.23 0.49 0.00 0.24 0.00 0.00 174.94 175.46 1uyz s GLN 99 N -3.78 1.06 0.23 0.37 0.00 -1.26 -0.87 119.66 115.40 1uyz s GLN 99 Ca 0.36 -0.39 -0.13 0.00 -0.00 0.00 0.00 55.36 55.19 1uyz s GLN 99 Cb -0.03 0.48 -0.00 0.00 0.00 0.00 0.00 33.01 33.46 1uyz s GLN 99 CO 0.22 -0.40 0.47 -3.38 0.00 0.00 0.00 175.29 172.20 1uyz s HIS 100 N -2.93 0.29 0.06 9.60 -3.43 -0.61 -5.00 115.29 113.26 1uyz s HIS 100 Ca -0.03 -0.65 0.02 0.00 -0.80 0.00 0.00 55.06 53.60 1uyz s HIS 100 Cb -0.00 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1uyz s HIS 100 CO -0.06 -0.97 0.10 0.95 -2.00 0.00 0.00 174.74 172.77 1uyz s THR 101 N -3.99 4.69 0.05 -5.38 -4.23 -1.26 -0.65 115.64 104.86 1uyz s THR 101 Ca 0.20 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1uyz s THR 101 Cb -0.00 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1uyz s THR 101 CO 0.07 0.17 -0.01 0.68 -0.54 0.00 0.00 174.62 174.99 1uyz s VAL 102 N -1.37 0.20 -0.01 2.29 -7.23 -0.38 -4.94 120.40 108.95 1uyz s VAL 102 Ca 0.29 -1.63 -0.20 0.00 -1.81 0.00 0.00 61.98 58.63 1uyz s VAL 102 Cb -0.12 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1uyz s VAL 102 CO 0.21 -0.90 0.57 0.21 -0.31 0.00 0.00 175.10 174.88 1uyz s ASN 103 N -2.73 6.94 -0.01 4.85 3.84 -1.26 -0.73 114.94 125.84 1uyz s ASN 103 Ca 0.04 1.12 0.03 0.00 0.21 0.00 0.00 52.86 54.26 1uyz s ASN 103 Cb 0.06 -2.35 -0.00 0.00 -0.55 0.00 0.00 41.25 38.40 1uyz s ASN 103 CO -0.09 0.11 -0.10 -0.76 -2.79 0.00 0.00 177.10 173.47 1uyz s LEU 104 N -0.18 1.94 0.47 3.21 1.43 -0.28 -4.93 118.68 120.34 1uyz s LEU 104 Ca 0.30 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1uyz s LEU 104 Cb -0.18 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 1uyz s LEU 104 CO 0.16 0.11 1.04 -0.94 0.23 0.00 0.00 176.35 176.95 1uyz s SER 105 N -0.09 6.43 0.52 2.29 1.04 -1.26 -1.53 113.70 121.10 1uyz s SER 105 Ca 0.01 1.95 -0.22 0.00 0.48 0.00 0.00 55.95 58.17 1uyz s SER 105 Cb -0.06 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1uyz s SER 105 CO -0.00 -0.72 1.26 0.00 0.98 0.00 0.00 173.24 174.76 1uyz s ALA 106 N -1.92 2.84 0.00 5.32 0.00 -1.26 -4.75 121.76 121.99 1uyz s ALA 106 Ca 0.65 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1uyz s ALA 106 Cb -0.17 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1uyz s ALA 106 CO 0.21 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1uyz n GLY 107 N 0.58 0.38 3.70 0.00 0.00 0.02 -4.94 105.19 104.93 1uyz n GLY 107 Ca 0.10 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 1uyz n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uyz s SER 108 N -4.00 7.07 0.05 1.61 0.15 -1.26 -0.82 113.70 116.50 1uyz s SER 108 Ca 0.00 1.30 0.06 0.00 0.70 0.00 0.00 55.95 58.01 1uyz s SER 108 Cb 0.00 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1uyz s SER 108 CO 0.00 -0.28 -0.13 -1.00 1.20 0.00 0.00 173.24 173.04 1uyz s HIS 109 N 1.44 2.70 -0.35 3.44 4.02 0.37 -4.94 115.29 121.97 1uyz s HIS 109 Ca 0.42 -0.17 0.01 0.00 1.02 0.00 0.00 55.06 56.34 1uyz s HIS 109 Cb -0.18 -1.49 0.09 0.00 -1.02 0.00 0.00 32.58 29.98 1uyz s HIS 109 CO 0.18 0.33 0.07 -0.65 1.02 0.00 0.00 174.74 175.70 1uyz s GLN 110 N -1.65 1.86 0.42 1.40 -0.21 -1.26 -0.71 119.66 119.52 1uyz s GLN 110 Ca 0.17 -1.72 -0.07 0.00 0.02 0.00 0.00 55.36 53.76 1uyz s GLN 110 Cb -0.11 -3.29 -0.05 0.00 1.00 0.00 0.00 33.01 30.56 1uyz s GLN 110 CO 0.08 -0.90 0.75 -0.06 -2.12 0.00 0.00 175.29 173.04 1uyz s PHE 111 N 1.05 3.51 0.08 0.91 2.99 -1.26 -0.29 117.98 124.96 1uyz s PHE 111 Ca 0.06 0.88 -0.12 0.00 0.00 0.00 0.00 56.93 57.75 1uyz s PHE 111 Cb -0.20 -2.33 0.01 0.00 0.00 0.00 0.00 43.02 40.50 1uyz s PHE 111 CO -0.06 -0.15 0.26 0.20 -0.00 0.00 0.00 175.22 175.48 1uyz s GLY 112 N -3.60 -0.04 -0.07 4.36 0.00 0.09 -0.63 107.32 107.43 1uyz s GLY 112 Ca 0.48 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1uyz s GLY 112 CO 0.37 -0.50 -0.16 -0.42 0.00 0.00 0.00 173.10 172.39 1uyz s ILE 113 N -3.31 1.44 -0.13 0.90 1.01 0.11 -1.50 121.20 119.71 1uyz s ILE 113 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1uyz s ILE 113 Cb 0.02 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1uyz s ILE 113 CO -0.08 0.42 -0.14 -0.75 0.00 0.00 0.00 174.94 174.39 1uyz s LYS 114 N 0.44 3.35 -0.20 2.79 2.47 -0.41 -0.93 119.74 127.24 1uyz s LYS 114 Ca -0.13 -0.70 -0.24 0.00 -1.56 0.00 0.00 55.97 53.34 1uyz s LYS 114 Cb -0.15 -2.62 -0.01 0.00 -1.46 0.00 0.00 37.83 33.59 1uyz s LYS 114 CO 0.05 0.19 0.77 0.00 0.16 0.00 0.00 175.35 176.52 1uyz s ALA 115 N 0.39 3.57 -0.06 3.13 0.00 -0.08 -0.65 121.76 128.06 1uyz s ALA 115 Ca -0.11 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 51.86 1uyz s ALA 115 Cb -0.16 -3.17 -0.19 0.00 0.00 0.00 0.00 23.12 19.61 1uyz s ALA 115 CO 0.05 -0.72 0.81 -0.91 0.00 0.00 0.00 175.76 174.99 1uyz h ASN 116 N 7.51 0.00 -4.04 0.00 2.35 -1.64 -1.53 115.58 118.23 1uyz h ASN 116 Ca -0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 1uyz h ASN 116 Cb 1.12 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.25 1uyz h ASN 116 CO 0.83 0.85 -0.33 0.00 -1.65 0.00 0.00 177.43 177.13 1uyz s ALA 117 N -2.73 -0.80 0.65 -0.83 0.00 -1.15 -4.59 121.76 112.31 1uyz s ALA 117 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1uyz s ALA 117 Cb 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1uyz s ALA 117 CO 0.82 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1uyz n GLY 118 N 2.64 0.12 0.22 0.00 0.00 -1.26 -2.29 105.19 104.62 1uyz n GLY 118 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1uyz n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uyz n GLY 119 N 5.00 0.94 3.08 -0.02 0.00 -1.10 -3.36 105.19 109.73 1uyz n GLY 119 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1uyz n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uyz s TRP 120 N -2.00 0.51 0.23 1.61 1.48 -1.26 -4.05 118.94 115.47 1uyz s TRP 120 Ca 0.00 -0.99 0.09 0.00 -1.06 0.00 0.00 56.10 54.14 1uyz s TRP 120 Cb 0.00 -0.37 -0.04 0.00 -1.16 0.00 0.00 33.47 31.89 1uyz s TRP 120 CO 0.00 -0.34 -0.04 -0.80 -4.06 0.00 0.00 176.95 171.71 1uyz s ASN 121 N -2.75 4.45 -0.06 -2.66 0.02 0.87 -4.24 114.94 110.56 1uyz s ASN 121 Ca 0.05 -0.61 -0.00 0.00 -1.02 0.00 0.00 52.86 51.27 1uyz s ASN 121 Cb 0.06 -0.81 0.02 0.00 0.02 0.00 0.00 41.25 40.54 1uyz s ASN 121 CO -0.09 0.04 -0.02 -0.22 0.02 0.00 0.00 177.10 176.83 1uyz s LEU 122 N -3.33 0.97 -0.21 0.60 2.96 -0.66 -2.16 118.68 116.85 1uyz s LEU 122 Ca 0.29 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1uyz s LEU 122 Cb -0.07 -0.47 -0.19 0.00 0.50 0.00 0.00 46.19 45.96 1uyz s LEU 122 CO 0.18 -0.12 0.10 -3.20 -1.32 0.00 0.00 176.35 171.99 1uyz n ASN 123 N 4.62 1.94 -3.73 3.68 5.15 0.23 -0.87 115.26 126.28 1uyz n ASN 123 Ca -0.16 0.33 -0.07 0.00 -0.60 0.00 0.00 54.58 54.08 1uyz n ASN 123 Cb 0.50 -0.88 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 1uyz n ASN 123 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 1uyz s TRP 124 N -2.44 -0.23 0.07 1.20 1.48 -1.25 -1.41 118.94 116.35 1uyz s TRP 124 Ca -0.30 -0.11 0.07 0.00 -1.06 0.00 0.00 56.10 54.69 1uyz s TRP 124 Cb 0.08 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 33.01 1uyz s TRP 124 CO 0.61 -0.99 -0.18 0.42 -4.06 0.00 0.00 176.95 172.75 1uyz s ILE 125 N -3.62 1.42 -0.02 0.66 1.01 0.08 -1.34 121.20 119.40 1uyz s ILE 125 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1uyz s ILE 125 Cb -0.03 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1uyz s ILE 125 CO 0.01 -0.06 0.00 -0.60 0.00 0.00 0.00 174.94 174.29 1uyz s ARG 126 N -1.62 0.16 -0.16 2.79 3.52 -0.02 -0.85 118.95 122.76 1uyz s ARG 126 Ca 0.03 0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 1uyz s ARG 126 Cb -0.09 -0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.97 1uyz s ARG 126 CO 0.03 -0.08 -0.04 0.42 -0.81 0.00 0.00 175.30 174.81 1uyz s ILE 127 N 0.64 3.77 0.04 4.11 1.01 -0.15 -0.50 121.20 130.12 1uyz s ILE 127 Ca -0.06 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1uyz s ILE 127 Cb -0.09 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1uyz s ILE 127 CO -0.01 0.48 -0.15 0.20 0.00 0.00 0.00 174.94 175.46 1uyz s ASN 128 N 0.52 1.79 0.88 3.58 0.01 -0.04 -0.28 114.94 121.40 1uyz s ASN 128 Ca -0.04 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.56 1uyz s ASN 128 Cb -0.14 -0.13 0.12 0.00 0.41 0.00 0.00 41.25 41.51 1uyz s ASN 128 CO 0.03 0.06 1.11 -0.54 -1.51 0.00 0.00 177.10 176.25 1uyz s LYS 129 N -1.08 1.31 -0.02 -0.60 1.02 -0.02 -0.92 119.74 119.43 1uyz s LYS 129 Ca 0.03 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1uyz s LYS 129 Cb -0.08 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1uyz s LYS 129 CO 0.01 -2.34 -0.02 0.25 -0.92 0.00 0.00 175.35 172.33 1uyz n THR 130 N -4.01 0.10 -0.38 2.17 -2.24 -1.25 -4.26 114.28 104.42 1uyz n THR 130 Ca 0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1uyz n THR 130 Cb 0.53 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1uyz n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91