#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 4.82 -0.13 1.12 1.01 -1.26 -0.59 120.40 125.36 1uyz s VAL 2 Ca 0.00 1.79 -0.24 0.00 0.00 0.00 0.00 61.98 63.53 1uyz s VAL 2 Cb 0.00 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.92 1uyz s VAL 2 CO 0.00 -0.03 0.62 0.40 0.00 0.00 0.00 175.10 176.09 1uyz h ILE 3 N 5.25 1.41 -2.01 2.22 1.08 -1.03 -3.48 117.51 120.95 1uyz h ILE 3 Ca -0.27 -2.35 -0.05 0.00 -0.39 0.00 0.00 64.86 61.81 1uyz h ILE 3 Cb 1.12 2.97 -0.20 0.00 -3.07 0.00 0.00 36.82 37.63 1uyz h ILE 3 CO 0.87 0.57 0.14 0.00 -0.69 0.00 0.00 178.15 179.05 1uyz s ALA 4 N -2.33 -1.77 -0.12 1.87 0.00 -1.10 -4.96 121.76 113.35 1uyz s ALA 4 Ca -0.21 1.84 -0.00 0.00 0.00 0.00 0.00 51.96 53.59 1uyz s ALA 4 Cb 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1uyz s ALA 4 CO 0.70 -0.35 -0.09 0.99 0.00 0.00 0.00 175.76 177.01 1uyz s THR 5 N -0.03 3.41 -0.14 0.00 2.01 -1.26 -0.99 115.64 118.64 1uyz s THR 5 Ca -0.03 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1uyz s THR 5 Cb -0.04 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 70.08 1uyz s THR 5 CO 0.03 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.81 1uyz s ILE 6 N 0.00 1.01 0.16 1.82 1.01 0.18 -5.00 121.20 120.39 1uyz s ILE 6 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1uyz s ILE 6 Cb -0.14 -1.12 -0.08 0.00 0.01 0.00 0.00 42.46 41.13 1uyz s ILE 6 CO 0.04 0.23 1.23 -1.10 0.00 0.00 0.00 174.94 175.34 1uyz s GLN 7 N 1.70 4.45 0.36 2.79 -1.52 -1.26 -0.50 119.66 125.68 1uyz s GLN 7 Ca 0.03 1.89 0.04 0.00 -1.95 0.00 0.00 55.36 55.37 1uyz s GLN 7 Cb -0.14 -3.26 0.70 0.00 -0.22 0.00 0.00 33.01 30.09 1uyz s GLN 7 CO -0.08 -0.17 2.01 0.00 -0.25 0.00 0.00 175.29 176.80 1uyz h ALA 8 N 5.70 1.62 0.00 6.09 0.00 -1.60 -0.88 119.26 130.19 1uyz h ALA 8 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uyz h ALA 8 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1uyz h ALA 8 CO 0.77 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 179.51 1uyz n GLU 9 N -4.45 0.13 -0.89 0.00 0.00 -1.26 -3.48 120.64 110.69 1uyz n GLU 9 Ca 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 57.16 57.22 1uyz n GLU 9 Cb 0.09 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.18 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 -1.39 3.64 -4.76 -1.84 8.00 -0.34 -4.96 116.55 114.90 1uyz n ASP 10 Ca 0.07 -3.15 -0.38 0.00 0.71 0.00 0.00 54.79 52.03 1uyz n ASP 10 Cb 0.18 -0.74 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.43 2.60 -0.19 1.24 -3.43 -1.23 -4.92 115.29 106.93 1uyz s HIS 11 Ca 0.42 1.41 0.18 0.00 -0.80 0.00 0.00 55.06 56.28 1uyz s HIS 11 Cb 0.35 -3.67 -0.01 0.00 -1.43 0.00 0.00 32.58 27.83 1uyz s HIS 11 CO 0.08 -2.33 1.10 0.66 -2.00 0.00 0.00 174.74 172.26 1uyz h SER 12 N 2.02 0.00 -5.03 7.38 4.64 -1.42 -3.47 113.55 117.68 1uyz h SER 12 Ca -0.50 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 1uyz h SER 12 Cb 1.27 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.18 1uyz h SER 12 CO 0.60 0.35 -0.24 -1.58 -0.87 0.00 0.00 176.83 175.08 1uyz s GLN 13 N -3.08 0.77 0.25 4.77 0.74 -1.19 -4.98 119.66 116.94 1uyz s GLN 13 Ca 0.00 -0.38 -0.19 0.00 0.05 0.00 0.00 55.36 54.85 1uyz s GLN 13 Cb 0.08 0.34 0.02 0.00 1.10 0.00 0.00 33.01 34.55 1uyz s GLN 13 CO 0.78 -0.24 0.63 1.14 -0.55 0.00 0.00 175.29 177.05 1uyz s GLN 14 N -2.11 1.64 -0.05 1.67 1.03 -1.26 -0.67 119.66 119.92 1uyz s GLN 14 Ca -0.08 -1.00 -0.02 0.00 0.04 0.00 0.00 55.36 54.30 1uyz s GLN 14 Cb -0.02 0.56 0.04 0.00 0.03 0.00 0.00 33.01 33.62 1uyz s GLN 14 CO -0.00 -0.73 0.10 0.45 -2.54 0.00 0.00 175.29 172.57 1uyz s SER 15 N -2.93 0.20 0.00 12.60 0.15 -0.43 -4.96 113.70 118.34 1uyz s SER 15 Ca 0.13 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1uyz s SER 15 Cb -0.04 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1uyz s SER 15 CO 0.05 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1uyz n GLY 16 N 4.48 1.02 3.75 9.45 0.00 -1.26 -2.27 105.19 120.37 1uyz n GLY 16 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.12 2.49 -0.01 2.61 -4.23 -1.26 -4.70 115.64 107.42 1uyz s THR 17 Ca 0.00 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1uyz s THR 17 Cb 0.00 -2.99 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 1uyz s THR 17 CO 0.00 -0.04 -0.05 -1.58 -0.54 0.00 0.00 174.62 172.41 1uyz s GLN 18 N -3.92 0.46 0.24 3.99 0.74 -0.72 -4.98 119.66 115.48 1uyz s GLN 18 Ca 0.41 -0.19 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 1uyz s GLN 18 Cb 0.02 -0.45 -0.08 0.00 1.10 0.00 0.00 33.01 33.59 1uyz s GLN 18 CO 0.23 0.10 0.72 -0.65 -0.55 0.00 0.00 175.29 175.15 1uyz s GLN 19 N -0.06 4.19 0.10 1.67 -0.21 -1.26 -0.44 119.66 123.66 1uyz s GLN 19 Ca 0.01 0.82 -0.09 0.00 0.02 0.00 0.00 55.36 56.12 1uyz s GLN 19 Cb -0.03 -2.78 -0.00 0.00 1.00 0.00 0.00 33.01 31.20 1uyz s GLN 19 CO -0.00 0.34 0.21 -1.83 -2.12 0.00 0.00 175.29 171.90 1uyz s GLU 20 N -2.19 0.90 0.29 2.91 -1.05 -0.36 -4.93 118.70 114.27 1uyz s GLU 20 Ca 0.45 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 54.00 1uyz s GLU 20 Cb -0.15 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 1uyz s GLU 20 CO 0.20 -0.30 1.31 0.99 0.95 0.00 0.00 175.26 178.41 1uyz s THR 21 N -3.87 2.88 0.02 1.83 2.01 -1.26 -0.82 115.64 116.42 1uyz s THR 21 Ca 0.07 0.82 0.03 0.00 0.31 0.00 0.00 61.69 62.91 1uyz s THR 21 Cb 0.04 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1uyz s THR 21 CO -0.09 0.17 -0.02 0.28 -0.69 0.00 0.00 174.62 174.27 1uyz s THR 22 N -0.70 3.97 -2.14 -0.82 -1.32 -0.73 -4.70 115.64 109.20 1uyz s THR 22 Ca 0.52 -0.75 0.21 0.00 -1.21 0.00 0.00 61.69 60.46 1uyz s THR 22 Cb -0.39 -2.79 0.54 0.00 -1.51 0.00 0.00 72.50 68.36 1uyz s THR 22 CO 0.47 0.32 1.47 0.35 -2.21 0.00 0.00 174.62 175.02 1uyz n THR 23 N 1.23 0.76 -0.75 5.08 -2.24 -1.26 -4.23 114.28 112.88 1uyz n THR 23 Ca -0.14 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.51 1uyz n THR 23 Cb 0.52 0.58 0.17 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.15 2.89 0.00 3.42 2.15 -1.26 -4.82 116.67 117.90 1uyz s ASP 24 Ca 0.43 2.08 -0.37 0.00 0.43 0.00 0.00 52.55 55.11 1uyz s ASP 24 Cb 0.23 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 40.16 1uyz s ASP 24 CO 0.30 -3.10 1.50 0.41 -0.17 0.00 0.00 175.17 174.11 1uyz n THR 25 N -4.23 0.11 0.00 1.71 -1.04 -1.26 -1.11 114.28 108.46 1uyz n THR 25 Ca 0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1uyz n THR 25 Cb 0.52 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 3.13 1.33 7.00 3.41 0.00 -1.26 -4.98 105.19 113.81 1uyz n GLY 26 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 1.87 5.77 -0.02 0.00 -0.26 -4.98 105.19 105.56 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 0.45 3.30 -0.02 0.00 -1.26 -4.80 105.19 102.86 1uyz n GLY 28 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 1.21 0.23 1.61 1.02 -1.26 -1.77 119.74 120.78 1uyz s LYS 29 Ca 0.00 -1.52 0.06 0.00 0.02 0.00 0.00 55.97 54.54 1uyz s LYS 29 Cb 0.00 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.33 1uyz s LYS 29 CO 0.00 0.14 -0.09 0.54 -0.92 0.00 0.00 175.35 175.03 1uyz s ASN 30 N -3.21 2.46 -0.05 2.83 2.20 -0.00 -4.71 114.94 114.45 1uyz s ASN 30 Ca 0.19 -1.11 -0.17 0.00 -0.94 0.00 0.00 52.86 50.83 1uyz s ASN 30 Cb 0.00 -0.11 -0.05 0.00 -2.00 0.00 0.00 41.25 39.09 1uyz s ASN 30 CO 0.04 -0.30 0.44 -0.69 -2.94 0.00 0.00 177.10 173.65 1uyz s VAL 31 N -3.09 5.09 0.00 3.54 1.01 0.02 -1.23 120.40 125.74 1uyz s VAL 31 Ca 0.26 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1uyz s VAL 31 Cb 0.02 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1uyz s VAL 31 CO 0.08 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1uyz n GLY 32 N 2.53 4.61 3.93 4.51 0.00 0.42 -1.52 105.19 119.68 1uyz n GLY 32 Ca -0.11 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 -1.66 -3.42 1.61 4.02 -1.26 -1.75 117.16 114.70 1uyz n TYR 33 Ca 0.00 0.72 -0.38 0.00 -0.01 0.00 0.00 57.90 58.23 1uyz n TYR 33 Cb 0.00 -3.72 -0.08 0.00 -0.02 0.00 0.00 39.34 35.52 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 -3.92 5.21 0.24 -0.72 1.01 -1.26 -4.33 121.20 117.44 1uyz s ILE 34 Ca 0.04 0.64 0.12 0.00 0.00 0.00 0.00 60.65 61.44 1uyz s ILE 34 Cb -0.02 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1uyz s ILE 34 CO 0.89 0.25 -0.21 -1.81 0.00 0.00 0.00 174.94 174.05 1uyz s ASP 35 N 1.11 3.50 -0.03 3.58 1.01 -1.26 -1.99 116.67 122.59 1uyz s ASP 35 Ca 0.17 -0.97 -0.38 0.00 0.71 0.00 0.00 52.55 52.09 1uyz s ASP 35 Cb -0.15 -0.28 -0.17 0.00 1.01 0.00 0.00 42.92 43.34 1uyz s ASP 35 CO 0.08 0.06 1.43 0.00 0.21 0.00 0.00 175.17 176.95 1uyz n ALA 36 N -0.27 -1.02 0.00 5.23 0.00 -1.26 -1.21 120.51 121.98 1uyz n ALA 36 Ca -0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1uyz n ALA 36 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.89 3.04 3.76 0.00 0.00 0.05 -4.97 105.19 109.96 1uyz n GLY 37 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.15 4.65 0.16 1.61 1.01 -0.35 -4.80 116.67 117.81 1uyz s ASP 38 Ca 0.00 1.94 -0.17 0.00 0.71 0.00 0.00 52.55 55.03 1uyz s ASP 38 Cb 0.00 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.43 1uyz s ASP 38 CO 0.00 -1.94 0.48 -1.66 0.21 0.00 0.00 175.17 172.26 1uyz s TRP 39 N -2.62 -0.18 -0.05 4.23 1.48 -0.96 -0.92 118.94 119.92 1uyz s TRP 39 Ca 0.64 -0.14 0.01 0.00 -1.06 0.00 0.00 56.10 55.55 1uyz s TRP 39 Cb -0.19 0.35 0.02 0.00 -1.16 0.00 0.00 33.47 32.49 1uyz s TRP 39 CO 0.50 -0.82 -0.04 -0.51 -4.06 0.00 0.00 176.95 172.01 1uyz s LEU 40 N -2.84 1.23 -0.08 -4.66 1.43 -0.09 -1.32 118.68 112.34 1uyz s LEU 40 Ca 0.06 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1uyz s LEU 40 Cb 0.00 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1uyz s LEU 40 CO -0.07 -0.07 -0.08 -0.55 0.23 0.00 0.00 176.35 175.80 1uyz s SER 41 N 1.09 4.50 -0.28 2.29 0.15 0.16 -0.72 113.70 120.89 1uyz s SER 41 Ca -0.08 -0.10 0.09 0.00 0.70 0.00 0.00 55.95 56.56 1uyz s SER 41 Cb -0.14 -1.25 0.47 0.00 -1.71 0.00 0.00 66.02 63.39 1uyz s SER 41 CO -0.01 0.31 1.38 -1.22 1.20 0.00 0.00 173.24 174.90 1uyz n TYR 42 N 2.56 1.01 0.24 3.44 4.02 0.21 -1.01 117.16 127.63 1uyz n TYR 42 Ca -0.18 -1.70 0.09 0.00 -0.01 0.00 0.00 57.90 56.11 1uyz n TYR 42 Cb 0.53 -0.44 0.63 0.00 -0.02 0.00 0.00 39.34 40.04 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 1.16 1.43 0.00 -0.72 0.00 -1.87 -2.23 119.26 117.04 1uyz h ALA 43 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uyz h ALA 43 Cb 1.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1uyz h ALA 43 CO 0.35 0.20 0.00 0.78 0.00 0.00 0.00 179.25 180.58 1uyz h GLY 44 N 0.76 0.00 -6.69 0.00 0.00 -1.94 -3.32 103.07 91.89 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 0.02 0.00 -0.68 -1.30 0.00 0.00 0.00 176.54 174.58 1uyz n THR 45 N -2.56 1.21 -1.82 4.70 -2.24 -0.84 -5.08 114.28 107.66 1uyz n THR 45 Ca 0.01 -4.67 -0.41 0.00 -2.27 0.00 0.00 64.05 56.72 1uyz n THR 45 Cb 0.25 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 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 -1.46 4.02 -0.08 -0.78 0.02 -1.25 -4.85 135.00 130.62 1uyz s PRO 46 Ca 0.30 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1uyz s PRO 46 Cb 0.03 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 1uyz s PRO 46 CO -0.13 -0.58 -0.13 0.08 -0.33 0.00 0.00 177.00 175.90 1uyz s VAL 47 N -1.14 3.11 -0.07 3.83 1.01 -0.07 -4.91 120.40 122.17 1uyz s VAL 47 Ca 0.55 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 1uyz s VAL 47 Cb -0.45 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1uyz s VAL 47 CO 0.61 0.57 0.72 0.21 0.00 0.00 0.00 175.10 177.20 1uyz s ASN 48 N -0.33 7.00 -0.28 3.32 3.84 -1.26 -0.53 114.94 126.70 1uyz s ASN 48 Ca 0.03 1.21 -0.09 0.00 0.21 0.00 0.00 52.86 54.22 1uyz s ASN 48 Cb -0.13 -2.42 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 1uyz s ASN 48 CO 0.02 -0.13 0.13 -0.63 -2.79 0.00 0.00 177.10 173.70 1uyz s ILE 49 N 0.85 4.61 0.20 -5.21 -1.09 -0.23 -4.97 121.20 115.36 1uyz s ILE 49 Ca 0.38 -0.22 0.16 0.00 -2.23 0.00 0.00 60.65 58.74 1uyz s ILE 49 Cb -0.18 -3.25 0.08 0.00 -1.58 0.00 0.00 42.46 37.53 1uyz s ILE 49 CO 0.18 0.20 1.69 1.55 -1.23 0.00 0.00 174.94 177.34 1uyz h PRO 50 N 8.31 0.00 -2.58 2.79 0.13 -1.91 -0.06 132.00 138.68 1uyz h PRO 50 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 1uyz h PRO 50 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 1uyz h PRO 50 CO 0.59 0.45 -0.10 -1.54 -0.23 0.00 0.00 178.00 177.17 1uyz s SER 51 N -6.58 -0.44 0.22 1.44 1.04 -1.26 -4.82 113.70 103.30 1uyz s SER 51 Ca -0.00 0.61 -0.30 0.00 0.48 0.00 0.00 55.95 56.74 1uyz s SER 51 Cb 0.12 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 1uyz s SER 51 CO 0.71 -0.38 1.29 -0.44 0.98 0.00 0.00 173.24 175.41 1uyz s SER 52 N -0.65 6.91 0.00 7.02 0.01 -1.26 -4.37 113.70 121.35 1uyz s SER 52 Ca -0.07 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1uyz s SER 52 Cb -0.03 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1uyz s SER 52 CO 0.04 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1uyz n GLY 53 N 2.07 -0.03 3.72 3.44 0.00 -0.70 -4.92 105.19 108.76 1uyz n GLY 53 Ca 0.05 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 7.14 0.02 1.61 0.15 -1.26 -1.26 113.70 116.10 1uyz s SER 54 Ca 0.00 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.08 1uyz s SER 54 Cb 0.00 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1uyz s SER 54 CO 0.00 -0.13 -0.18 -0.31 1.20 0.00 0.00 173.24 173.82 1uyz s TYR 55 N 0.69 1.55 -0.27 3.44 1.51 -0.13 -3.60 117.35 120.54 1uyz s TYR 55 Ca 0.42 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 1uyz s TYR 55 Cb -0.19 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1uyz s TYR 55 CO 0.22 0.04 0.35 -1.17 -1.11 0.00 0.00 175.55 173.88 1uyz s LEU 56 N -0.89 4.04 -0.22 -1.29 2.96 -0.09 -1.42 118.68 121.78 1uyz s LEU 56 Ca 0.06 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 1uyz s LEU 56 Cb -0.08 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 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 2.04 4.68 0.01 6.68 -1.09 0.36 -0.80 121.20 133.08 1uyz s ILE 57 Ca 0.14 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1uyz s ILE 57 Cb -0.16 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1uyz s ILE 57 CO 0.10 0.39 0.03 -1.61 -1.23 0.00 0.00 174.94 172.62 1uyz s GLU 58 N 1.02 2.88 -0.06 2.79 2.02 0.61 -1.78 118.70 126.19 1uyz s GLU 58 Ca 0.05 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1uyz s GLU 58 Cb -0.14 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1uyz s GLU 58 CO 0.03 0.63 -0.09 0.71 0.02 0.00 0.00 175.26 176.56 1uyz s TYR 59 N -1.15 1.18 -0.45 1.61 1.51 -0.06 -0.97 117.35 119.02 1uyz s TYR 59 Ca 0.21 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 1uyz s TYR 59 Cb -0.12 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 1uyz s TYR 59 CO 0.12 -0.25 0.54 0.50 -1.11 0.00 0.00 175.55 175.35 1uyz s ARG 60 N 0.78 3.15 0.12 -0.62 6.06 -0.58 -1.32 118.95 126.55 1uyz s ARG 60 Ca -0.13 -0.69 0.05 0.00 -2.50 0.00 0.00 55.73 52.47 1uyz s ARG 60 Cb -0.15 -3.99 -0.04 0.00 0.06 0.00 0.00 34.95 30.83 1uyz s ARG 60 CO 0.02 -0.98 -0.13 0.14 -2.50 0.00 0.00 175.30 171.85 1uyz s VAL 61 N 2.42 1.27 0.01 7.11 -7.23 -0.10 -0.75 120.40 123.13 1uyz s VAL 61 Ca 0.16 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1uyz s VAL 61 Cb -0.17 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 1uyz s VAL 61 CO 0.15 -0.48 0.02 0.00 -0.31 0.00 0.00 175.10 174.47 1uyz s ALA 62 N -2.34 -0.02 -0.30 1.32 0.00 -0.89 -1.30 121.76 118.23 1uyz s ALA 62 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 1uyz s ALA 62 Cb -0.04 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.28 1uyz s ALA 62 CO 0.02 -0.12 0.66 0.45 0.00 0.00 0.00 175.76 176.77 1uyz s SER 63 N -0.97 -1.10 0.11 0.00 0.15 -1.17 -0.05 113.70 110.66 1uyz s SER 63 Ca -0.11 1.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.92 1uyz s SER 63 Cb -0.06 2.12 -0.07 0.00 -1.71 0.00 0.00 66.02 66.30 1uyz s SER 63 CO -0.00 -0.22 1.66 -0.61 1.20 0.00 0.00 173.24 175.27 1uyz h GLN 64 N 7.80 0.36 -0.00 5.44 4.15 -1.73 -0.37 115.11 130.76 1uyz h GLN 64 Ca -0.20 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1uyz h GLN 64 Cb 1.13 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1uyz h GLN 64 CO 0.11 0.38 -0.03 0.09 -1.93 0.00 0.00 178.83 177.45 1uyz n ASN 65 N -4.81 0.62 -0.30 -0.69 3.02 -1.26 -4.09 115.26 107.76 1uyz n ASN 65 Ca -0.03 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1uyz n ASN 65 Cb 0.11 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.54 -1.68 0.92 7.41 0.00 -1.26 -4.72 105.19 106.40 1uyz n GLY 66 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 1.22 3.81 -0.02 0.00 -1.25 -4.86 105.19 104.09 1uyz n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.06 1.68 0.09 -0.02 0.00 -1.22 -4.74 107.32 101.05 1uyz s GLY 68 Ca 0.00 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.60 1uyz s GLY 68 CO 0.00 0.42 0.56 -1.35 0.00 0.00 0.00 173.10 172.73 1uyz s SER 69 N -3.73 -0.49 0.09 1.64 1.04 -1.00 -1.17 113.70 110.08 1uyz s SER 69 Ca 0.58 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 57.12 1uyz s SER 69 Cb -0.14 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1uyz s SER 69 CO 0.55 -0.82 -0.01 -1.48 0.98 0.00 0.00 173.24 172.46 1uyz s LEU 70 N -2.29 2.24 -0.15 2.42 0.05 -0.70 -1.45 118.68 118.80 1uyz s LEU 70 Ca -0.02 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.08 1uyz s LEU 70 Cb -0.00 0.16 -0.00 0.00 -2.05 0.00 0.00 46.19 44.29 1uyz s LEU 70 CO -0.06 -0.61 -0.15 -0.89 -0.55 0.00 0.00 176.35 174.08 1uyz s THR 71 N -3.88 2.65 -0.17 5.48 2.01 0.22 -1.74 115.64 120.20 1uyz s THR 71 Ca 0.15 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1uyz s THR 71 Cb 0.07 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1uyz s THR 71 CO -0.04 0.52 0.25 0.12 -0.69 0.00 0.00 174.62 174.77 1uyz s PHE 72 N 0.82 3.45 0.16 4.92 5.36 0.34 -1.29 117.98 131.73 1uyz s PHE 72 Ca -0.05 0.52 -0.05 0.00 -0.96 0.00 0.00 56.93 56.39 1uyz s PHE 72 Cb -0.15 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.25 1uyz s PHE 72 CO -0.00 0.25 0.31 -0.85 -1.46 0.00 0.00 175.22 173.47 1uyz n GLU 73 N 3.56 0.44 -3.17 10.12 0.28 -0.52 -0.77 120.64 130.59 1uyz n GLU 73 Ca -0.13 -0.95 -0.32 0.00 -0.16 0.00 0.00 57.16 55.60 1uyz n GLU 73 Cb 0.52 1.14 -0.06 0.00 1.43 0.00 0.00 31.44 34.47 1uyz n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1uyz s GLU 74 N -2.08 3.92 0.25 3.44 0.41 -0.87 -0.83 118.70 122.94 1uyz s GLU 74 Ca 0.07 0.54 -0.31 0.00 -0.41 0.00 0.00 54.97 54.87 1uyz s GLU 74 Cb -0.02 -2.48 -0.14 0.00 -1.78 0.00 0.00 34.13 29.72 1uyz s GLU 74 CO 0.05 0.17 1.34 0.00 -0.49 0.00 0.00 175.26 176.34 1uyz n ALA 75 N -0.44 0.85 0.00 5.21 0.00 0.77 -1.13 120.51 125.77 1uyz n ALA 75 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1uyz n ALA 75 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 1.93 3.32 0.00 0.00 0.00 -1.26 -4.61 105.19 104.56 1uyz n GLY 76 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.59 0.87 3.43 -0.02 0.00 -0.29 -5.09 105.19 102.50 1uyz n GLY 77 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.33 0.62 4.61 0.00 -1.25 -4.33 121.76 118.08 1uyz s ALA 78 Ca 0.00 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1uyz s ALA 78 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1uyz s ALA 78 CO 0.00 -0.27 1.08 -1.25 0.00 0.00 0.00 175.76 175.32 1uyz s PRO 79 N -0.04 3.10 0.02 0.00 0.04 -1.26 -4.60 135.00 132.26 1uyz s PRO 79 Ca -0.03 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1uyz s PRO 79 Cb -0.03 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1uyz s PRO 79 CO 0.02 -1.00 0.61 0.08 0.04 0.00 0.00 177.00 176.75 1uyz s VAL 80 N -2.39 4.84 -0.24 -0.36 1.01 -1.26 -2.05 120.40 119.95 1uyz s VAL 80 Ca 0.65 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.87 1uyz s VAL 80 Cb -0.18 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 1uyz s VAL 80 CO 0.39 0.45 -0.12 1.41 0.00 0.00 0.00 175.10 177.23 1uyz n HIS 81 N 2.46 0.29 -3.61 5.22 8.25 0.05 -4.98 115.22 122.90 1uyz n HIS 81 Ca -0.07 0.07 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1uyz n HIS 81 Cb 0.51 -1.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.57 1uyz n HIS 81 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uyz s GLY 82 N -6.06 -0.38 0.18 -1.41 0.00 -0.89 -4.57 107.32 94.19 1uyz s GLY 82 Ca -0.33 0.94 0.07 0.00 0.00 0.00 0.00 44.72 45.40 1uyz s GLY 82 CO 0.61 0.23 -0.15 -0.51 0.00 0.00 0.00 173.10 173.28 1uyz s THR 83 N -2.43 1.66 -0.19 0.90 -4.23 -1.26 -0.50 115.64 109.58 1uyz s THR 83 Ca 0.13 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 1uyz s THR 83 Cb 0.03 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 72.02 1uyz s THR 83 CO -0.04 -0.51 0.48 -0.51 -0.54 0.00 0.00 174.62 173.51 1uyz s ILE 84 N -2.63 -0.00 0.21 2.99 2.07 -0.71 -5.00 121.20 118.12 1uyz s ILE 84 Ca 0.18 0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 59.21 1uyz s ILE 84 Cb -0.02 -0.68 -0.08 0.00 0.13 0.00 0.00 42.46 41.80 1uyz s ILE 84 CO 0.06 0.01 0.78 0.00 -1.91 0.00 0.00 174.94 173.87 1uyz s ALA 85 N 0.53 3.41 -0.27 1.50 0.00 -1.26 -1.73 121.76 123.94 1uyz s ALA 85 Ca -0.02 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1uyz s ALA 85 Cb -0.04 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1uyz s ALA 85 CO -0.03 0.29 0.01 0.42 0.00 0.00 0.00 175.76 176.46 1uyz s ILE 86 N -1.35 3.45 0.69 0.00 1.01 -0.32 -4.96 121.20 119.73 1uyz s ILE 86 Ca 0.40 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 1uyz s ILE 86 Cb -0.20 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1uyz s ILE 86 CO 0.24 0.14 1.06 -2.16 0.00 0.00 0.00 174.94 174.22 1uyz s PRO 87 N 1.42 2.97 0.27 2.79 0.04 -1.26 -3.68 135.00 137.54 1uyz s PRO 87 Ca 0.01 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 1uyz s PRO 87 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1uyz s PRO 87 CO -0.01 -1.07 1.50 0.00 0.04 0.00 0.00 177.00 177.47 1uyz s ALA 88 N -3.05 3.68 -0.60 8.56 0.00 -1.26 -4.47 121.76 124.61 1uyz s ALA 88 Ca 0.58 1.43 0.08 0.00 0.00 0.00 0.00 51.96 54.05 1uyz s ALA 88 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1uyz s ALA 88 CO 0.55 -0.84 0.47 0.25 0.00 0.00 0.00 175.76 176.18 1uyz n THR 89 N 2.26 0.00 0.00 0.00 -2.24 -0.16 -4.92 114.28 109.22 1uyz n THR 89 Ca 0.07 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1uyz n THR 89 Cb 0.39 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.02 0.20 3.60 3.38 0.00 -1.14 -4.85 105.19 107.40 1uyz n GLY 90 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1uyz n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uyz s GLY 91 N -1.67 -0.34 0.55 -0.02 0.00 -1.24 -4.88 107.32 99.72 1uyz s GLY 91 Ca 0.00 1.48 0.32 0.00 0.00 0.00 0.00 44.72 46.52 1uyz s GLY 91 CO 0.00 0.43 2.06 1.49 0.00 0.00 0.00 173.10 177.08 1uyz h TRP 92 N 2.00 0.00 0.00 1.90 -0.00 -1.91 -2.77 115.95 115.17 1uyz h TRP 92 Ca -0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.68 1uyz h TRP 92 Cb 1.15 0.00 -0.10 0.00 -0.00 0.00 0.00 29.16 30.22 1uyz h TRP 92 CO 0.30 0.07 -0.60 1.04 -0.00 0.00 0.00 178.44 179.25 1uyz n GLN 93 N -3.30 1.14 -3.63 0.49 1.13 -1.26 -4.73 117.38 107.22 1uyz n GLN 93 Ca -0.01 -2.89 -0.40 0.00 -1.94 0.00 0.00 57.00 51.77 1uyz n GLN 93 Cb 0.26 -1.19 -0.11 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.34 4.48 0.02 5.09 2.01 -1.05 -4.77 115.64 119.08 1uyz s THR 94 Ca 0.36 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1uyz s THR 94 Cb 0.36 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1uyz s THR 94 CO -0.09 -0.17 0.07 0.26 -0.69 0.00 0.00 174.62 174.01 1uyz s TRP 95 N 1.55 3.24 0.10 4.92 0.52 -1.26 -4.33 118.94 123.67 1uyz s TRP 95 Ca 0.02 0.15 -0.11 0.00 0.02 0.00 0.00 56.10 56.18 1uyz s TRP 95 Cb -0.19 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1uyz s TRP 95 CO 0.06 0.53 0.25 -0.08 0.02 0.00 0.00 176.95 177.74 1uyz s THR 96 N -1.25 0.12 -0.22 2.01 -1.32 -0.42 -4.98 115.64 109.57 1uyz s THR 96 Ca 0.25 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1uyz s THR 96 Cb -0.12 -1.28 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 1uyz s THR 96 CO 0.16 -0.55 0.05 -0.89 -2.21 0.00 0.00 174.62 171.18 1uyz s THR 97 N -3.81 4.25 0.31 5.08 2.01 -1.26 -0.92 115.64 121.29 1uyz s THR 97 Ca 0.04 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 61.93 1uyz s THR 97 Cb 0.04 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1uyz s THR 97 CO -0.11 0.38 0.10 0.27 -0.69 0.00 0.00 174.62 174.57 1uyz s ILE 98 N 1.24 3.28 0.05 1.82 -4.36 -0.43 -4.94 121.20 117.86 1uyz s ILE 98 Ca 0.04 -1.75 -0.19 0.00 -0.26 0.00 0.00 60.65 58.49 1uyz s ILE 98 Cb -0.15 -2.97 0.04 0.00 1.25 0.00 0.00 42.46 40.64 1uyz s ILE 98 CO 0.03 -0.26 0.44 0.00 0.24 0.00 0.00 174.94 175.38 1uyz s GLN 99 N -3.79 0.95 0.23 0.37 -2.07 -1.26 -0.89 119.66 113.22 1uyz s GLN 99 Ca 0.35 -0.34 -0.12 0.00 -1.82 0.00 0.00 55.36 53.42 1uyz s GLN 99 Cb -0.04 0.43 -0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1uyz s GLN 99 CO 0.22 -0.33 0.45 -3.38 -1.32 0.00 0.00 175.29 170.93 1uyz s HIS 100 N -2.51 0.35 0.06 9.60 -3.43 -0.73 -5.00 115.29 113.62 1uyz s HIS 100 Ca -0.05 -0.71 0.03 0.00 -0.80 0.00 0.00 55.06 53.53 1uyz s HIS 100 Cb -0.01 0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1uyz s HIS 100 CO -0.03 -0.95 0.05 0.95 -2.00 0.00 0.00 174.74 172.76 1uyz s THR 101 N -4.01 4.35 0.04 -5.38 -4.23 -1.26 -0.49 115.64 104.67 1uyz s THR 101 Ca 0.21 -0.77 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1uyz s THR 101 Cb -0.00 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1uyz s THR 101 CO 0.07 0.18 -0.02 0.68 -0.54 0.00 0.00 174.62 175.00 1uyz s VAL 102 N -1.30 0.19 0.07 2.29 -7.23 -0.50 -4.94 120.40 108.98 1uyz s VAL 102 Ca 0.26 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 58.58 1uyz s VAL 102 Cb -0.12 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 1uyz s VAL 102 CO 0.18 -0.88 0.79 0.21 -0.31 0.00 0.00 175.10 175.09 1uyz s ASN 103 N -2.61 7.27 -0.03 4.85 3.84 -1.26 -0.96 114.94 126.04 1uyz s ASN 103 Ca 0.02 1.51 0.03 0.00 0.21 0.00 0.00 52.86 54.63 1uyz s ASN 103 Cb 0.04 -2.48 -0.00 0.00 -0.55 0.00 0.00 41.25 38.26 1uyz s ASN 103 CO -0.08 0.03 -0.12 -0.76 -2.79 0.00 0.00 177.10 173.38 1uyz s LEU 104 N -0.20 1.85 0.44 3.21 1.43 -0.39 -4.90 118.68 120.11 1uyz s LEU 104 Ca 0.39 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 1uyz s LEU 104 Cb -0.21 -0.70 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 1uyz s LEU 104 CO 0.24 0.10 1.00 -0.94 0.23 0.00 0.00 176.35 176.98 1uyz s SER 105 N 0.10 6.72 0.51 2.29 1.04 -1.26 -1.73 113.70 121.37 1uyz s SER 105 Ca -0.02 1.84 -0.23 0.00 0.48 0.00 0.00 55.95 58.02 1uyz s SER 105 Cb -0.09 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1uyz s SER 105 CO 0.01 -0.51 1.32 0.00 0.98 0.00 0.00 173.24 175.04 1uyz s ALA 106 N -1.98 2.92 0.00 5.32 0.00 -1.26 -4.74 121.76 122.01 1uyz s ALA 106 Ca 0.62 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1uyz s ALA 106 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1uyz s ALA 106 CO 0.19 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1uyz n GLY 107 N 0.65 0.41 3.71 0.00 0.00 -0.04 -4.94 105.19 104.97 1uyz n GLY 107 Ca 0.09 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 7.30 0.03 1.61 0.15 -1.26 -1.07 113.70 116.46 1uyz s SER 108 Ca 0.00 1.58 0.08 0.00 0.70 0.00 0.00 55.95 58.31 1uyz s SER 108 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1uyz s SER 108 CO 0.00 -0.28 -0.23 -1.00 1.20 0.00 0.00 173.24 172.93 1uyz s HIS 109 N 1.18 2.42 -0.34 3.44 4.02 0.32 -4.96 115.29 121.36 1uyz s HIS 109 Ca 0.50 -0.35 0.04 0.00 1.02 0.00 0.00 55.06 56.26 1uyz s HIS 109 Cb -0.20 -1.45 0.10 0.00 -1.02 0.00 0.00 32.58 30.01 1uyz s HIS 109 CO 0.25 0.15 0.06 -0.65 1.02 0.00 0.00 174.74 175.56 1uyz s GLN 110 N -1.17 1.52 0.48 1.40 -0.21 -1.26 -0.89 119.66 119.53 1uyz s GLN 110 Ca 0.12 -1.87 -0.13 0.00 0.02 0.00 0.00 55.36 53.50 1uyz s GLN 110 Cb -0.10 -3.23 -0.07 0.00 1.00 0.00 0.00 33.01 30.61 1uyz s GLN 110 CO 0.02 -0.94 0.90 -0.06 -2.12 0.00 0.00 175.29 173.09 1uyz s PHE 111 N 0.92 3.48 0.07 0.91 0.40 -1.26 -0.16 117.98 122.34 1uyz s PHE 111 Ca 0.11 1.26 -0.09 0.00 -0.60 0.00 0.00 56.93 57.60 1uyz s PHE 111 Cb -0.19 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.71 1uyz s PHE 111 CO -0.08 -0.29 0.20 0.20 0.70 0.00 0.00 175.22 175.95 1uyz s GLY 112 N -3.26 0.06 -0.07 4.36 0.00 -0.01 -0.62 107.32 107.79 1uyz s GLY 112 Ca 0.55 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1uyz s GLY 112 CO 0.34 -0.67 -0.16 -0.42 0.00 0.00 0.00 173.10 172.19 1uyz s ILE 113 N -3.42 1.40 -0.11 0.90 1.01 0.10 -1.43 121.20 119.65 1uyz s ILE 113 Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1uyz s ILE 113 Cb 0.03 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 1uyz s ILE 113 CO -0.09 0.41 -0.19 -0.75 0.00 0.00 0.00 174.94 174.32 1uyz s LYS 114 N 0.43 3.12 -0.11 2.79 2.47 -0.41 -0.92 119.74 127.11 1uyz s LYS 114 Ca -0.13 -0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 53.20 1uyz s LYS 114 Cb -0.15 -2.43 -0.01 0.00 -1.46 0.00 0.00 37.83 33.78 1uyz s LYS 114 CO 0.04 0.24 1.02 0.00 0.16 0.00 0.00 175.35 176.81 1uyz s ALA 115 N 0.24 3.42 -0.11 3.13 0.00 -0.10 -0.61 121.76 127.73 1uyz s ALA 115 Ca -0.13 0.38 0.16 0.00 0.00 0.00 0.00 51.96 52.37 1uyz s ALA 115 Cb -0.16 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.34 1uyz s ALA 115 CO 0.07 -0.63 0.72 0.09 0.00 0.00 0.00 175.76 176.01 1uyz n ASN 116 N 5.07 0.77 -3.79 0.00 3.02 -0.53 -0.77 115.26 119.03 1uyz n ASN 116 Ca 0.09 0.35 -0.13 0.00 -0.03 0.00 0.00 54.58 54.86 1uyz n ASN 116 Cb 0.48 0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 39.79 1uyz n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uyz s ALA 117 N -2.85 -0.64 0.45 5.41 0.00 -1.13 -4.67 121.76 118.34 1uyz s ALA 117 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1uyz s ALA 117 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1uyz s ALA 117 CO 0.82 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1uyz n GLY 118 N 2.23 0.65 0.63 0.00 0.00 -1.26 -2.39 105.19 105.06 1uyz n GLY 118 Ca -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 0.98 3.15 -0.02 0.00 -0.84 -3.40 105.19 110.05 1uyz n GLY 119 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 0.57 0.19 1.61 1.48 -1.26 -4.18 118.94 115.36 1uyz s TRP 120 Ca 0.00 -1.03 0.11 0.00 -1.06 0.00 0.00 56.10 54.12 1uyz s TRP 120 Cb 0.00 -0.35 -0.04 0.00 -1.16 0.00 0.00 33.47 31.92 1uyz s TRP 120 CO 0.00 -0.48 -0.20 -0.80 -4.06 0.00 0.00 176.95 171.41 1uyz s ASN 121 N -2.96 3.63 -0.07 -2.66 0.01 0.93 -4.26 114.94 109.56 1uyz s ASN 121 Ca 0.13 -0.81 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1uyz s ASN 121 Cb 0.07 -0.36 0.02 0.00 0.41 0.00 0.00 41.25 41.39 1uyz s ASN 121 CO -0.05 0.11 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.38 1uyz s LEU 122 N -2.75 1.09 -0.23 0.60 2.96 -0.57 -2.10 118.68 117.69 1uyz s LEU 122 Ca 0.22 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1uyz s LEU 122 Cb -0.08 -0.58 -0.17 0.00 0.50 0.00 0.00 46.19 45.86 1uyz s LEU 122 CO 0.11 -0.10 0.05 -3.20 -1.32 0.00 0.00 176.35 171.89 1uyz n ASN 123 N 4.58 1.89 -3.80 3.68 2.85 0.07 -0.80 115.26 123.74 1uyz n ASN 123 Ca -0.16 0.39 -0.06 0.00 -0.11 0.00 0.00 54.58 54.64 1uyz n ASN 123 Cb 0.50 -0.92 -0.02 0.00 1.24 0.00 0.00 39.78 40.59 1uyz n ASN 123 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1uyz s TRP 124 N -2.41 -0.20 0.12 1.20 1.48 -1.25 -1.69 118.94 116.19 1uyz s TRP 124 Ca -0.32 -0.20 0.05 0.00 -1.06 0.00 0.00 56.10 54.57 1uyz s TRP 124 Cb 0.09 0.68 -0.04 0.00 -1.16 0.00 0.00 33.47 33.04 1uyz s TRP 124 CO 0.57 -1.10 -0.12 0.96 -4.06 0.00 0.00 176.95 173.19 1uyz s ILE 125 N -3.74 1.19 -0.03 0.66 -4.36 0.35 -1.52 121.20 113.74 1uyz s ILE 125 Ca 0.11 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 1uyz s ILE 125 Cb -0.04 -1.56 0.02 0.00 1.25 0.00 0.00 42.46 42.13 1uyz s ILE 125 CO 0.04 -0.54 0.06 -0.60 0.24 0.00 0.00 174.94 174.14 1uyz s ARG 126 N -2.97 0.03 -0.15 0.37 3.52 -0.14 -0.64 118.95 118.96 1uyz s ARG 126 Ca 0.10 0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1uyz s ARG 126 Cb -0.03 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1uyz s ARG 126 CO 0.02 -0.09 -0.06 0.42 -0.81 0.00 0.00 175.30 174.78 1uyz s ILE 127 N 0.62 3.70 0.02 4.11 1.01 -0.16 -0.28 121.20 130.22 1uyz s ILE 127 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1uyz s ILE 127 Cb -0.07 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1uyz s ILE 127 CO -0.02 0.50 -0.13 0.20 0.00 0.00 0.00 174.94 175.48 1uyz s ASN 128 N 0.41 1.57 0.77 3.58 0.01 0.02 -0.34 114.94 120.96 1uyz s ASN 128 Ca -0.05 -0.39 -0.12 0.00 -0.71 0.00 0.00 52.86 51.59 1uyz s ASN 128 Cb -0.15 -0.12 0.06 0.00 0.41 0.00 0.00 41.25 41.46 1uyz s ASN 128 CO 0.03 0.06 1.12 -0.54 -1.51 0.00 0.00 177.10 176.27 1uyz s LYS 129 N -0.90 2.13 -0.06 -0.60 1.02 0.25 -0.91 119.74 120.67 1uyz s LYS 129 Ca 0.02 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.42 1uyz s LYS 129 Cb -0.07 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1uyz s LYS 129 CO 0.01 -1.77 0.00 0.25 -0.92 0.00 0.00 175.35 172.92 1uyz n THR 130 N -3.29 0.37 -0.75 2.17 -2.24 -1.24 -4.42 114.28 104.88 1uyz n THR 130 Ca 0.10 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1uyz n THR 130 Cb 0.52 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1uyz n THR 130 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91