#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uad s ARG 5 N 0.00 1.62 0.67 -1.46 1.81 -0.91 -5.01 118.95 115.68 1uad s ARG 5 Ca 0.00 -1.53 -0.11 0.00 -1.72 0.00 0.00 55.73 52.37 1uad s ARG 5 Cb 0.00 0.42 0.00 0.00 -0.45 0.00 0.00 34.95 34.92 1uad s ARG 5 CO 0.00 -0.65 1.06 -0.65 -0.68 0.00 0.00 175.30 174.38 1uad s GLN 6 N -3.67 3.00 0.59 3.54 1.11 -1.26 -4.07 119.66 118.90 1uad s GLN 6 Ca 0.29 0.45 -0.20 0.00 0.01 0.00 0.00 55.36 55.92 1uad s GLN 6 Cb 0.01 -2.07 -0.04 0.00 -1.01 0.00 0.00 33.01 29.90 1uad s GLN 6 CO 0.14 -0.90 1.22 -2.30 0.01 0.00 0.00 175.29 173.45 1uad n PRO 7 N -2.90 1.29 -2.25 2.91 -0.02 -1.24 -4.36 135.00 128.42 1uad n PRO 7 Ca 0.06 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1uad n PRO 7 Cb 0.57 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1uad n PRO 7 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1uad s PRO 8 N -2.95 3.88 -0.17 0.52 0.02 -1.25 -4.73 135.00 130.33 1uad s PRO 8 Ca 0.76 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 1uad s PRO 8 Cb -0.41 -2.53 0.06 0.00 0.02 0.00 0.00 34.50 31.63 1uad s PRO 8 CO 0.46 -0.46 0.06 -1.17 -0.33 0.00 0.00 177.00 175.56 1uad s LEU 9 N -2.78 0.68 -0.21 -5.54 2.96 -0.29 -1.75 118.68 111.75 1uad s LEU 9 Ca 0.61 -0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 53.66 1uad s LEU 9 Cb -0.30 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1uad s LEU 9 CO 0.37 -0.32 0.71 -0.69 -1.32 0.00 0.00 176.35 175.10 1uad s VAL 10 N 2.02 4.95 0.00 1.68 1.01 -0.05 -0.66 120.40 129.35 1uad s VAL 10 Ca 0.01 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1uad s VAL 10 Cb -0.16 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1uad s VAL 10 CO -0.08 0.04 0.50 0.35 0.00 0.00 0.00 175.10 175.92 1uad n THR 11 N 4.91 0.05 -3.78 3.92 -2.24 -0.32 -0.33 114.28 116.50 1uad n THR 11 Ca 0.01 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 1uad n THR 11 Cb 0.49 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1uad n THR 11 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uad s GLY 12 N -0.05 -0.20 -0.07 3.38 0.00 -0.47 -4.75 107.32 105.17 1uad s GLY 12 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 1uad s GLY 12 CO 0.00 0.57 0.13 -1.50 0.00 0.00 0.00 173.10 172.29 1uad s ILE 13 N -0.17 -0.19 -0.17 0.90 1.10 -1.26 -1.02 121.20 120.39 1uad s ILE 13 Ca -0.03 0.35 -0.02 0.00 -0.51 0.00 0.00 60.65 60.44 1uad s ILE 13 Cb -0.03 -0.24 0.05 0.00 0.15 0.00 0.00 42.46 42.39 1uad s ILE 13 CO 0.01 0.14 -0.00 -0.55 -2.11 0.00 0.00 174.94 172.43 1uad s SER 14 N 2.07 2.82 0.86 4.50 0.15 -0.26 -3.44 113.70 120.40 1uad s SER 14 Ca 0.01 -0.72 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 1uad s SER 14 Cb -0.12 -0.73 0.12 0.00 -1.71 0.00 0.00 66.02 63.58 1uad s SER 14 CO -0.05 -0.25 1.22 -2.16 1.20 0.00 0.00 173.24 173.21 1uad s PRO 15 N 1.76 1.48 0.00 5.44 0.04 -1.26 0.28 135.00 142.73 1uad s PRO 15 Ca -0.00 -0.11 0.27 0.00 0.04 0.00 0.00 61.00 61.19 1uad s PRO 15 Cb -0.16 -1.93 0.91 0.00 0.04 0.00 0.00 34.50 33.36 1uad s PRO 15 CO -0.07 -1.89 1.66 0.27 0.04 0.00 0.00 177.00 177.01 1uad n ASN 16 N -3.46 1.35 -3.76 6.66 0.23 -1.22 -4.86 115.26 110.20 1uad n ASN 16 Ca 0.11 -1.27 -0.10 0.00 -0.53 0.00 0.00 54.58 52.79 1uad n ASN 16 Cb 0.60 0.06 -0.05 0.00 -2.08 0.00 0.00 39.78 38.31 1uad n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1uad s GLU 17 N -2.20 1.18 0.00 -3.83 -1.05 -1.26 -0.24 118.70 111.30 1uad s GLU 17 Ca 0.32 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1uad s GLU 17 Cb 0.20 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.35 1uad s GLU 17 CO 0.41 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1uad n GLY 18 N -0.25 2.61 3.76 -3.83 0.00 -0.84 -4.94 105.19 101.69 1uad n GLY 18 Ca -0.12 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1uad n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uad s ILE 19 N -2.00 3.04 0.65 -0.61 -4.36 -1.26 -0.47 121.20 116.19 1uad s ILE 19 Ca 0.00 0.34 -0.17 0.00 -0.26 0.00 0.00 60.65 60.56 1uad s ILE 19 Cb 0.00 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1uad s ILE 19 CO 0.00 -0.44 0.79 -2.65 0.24 0.00 0.00 174.94 172.88 1uad n PRO 20 N -3.63 0.60 -1.36 0.37 -0.02 -1.25 -2.45 135.00 127.26 1uad n PRO 20 Ca 0.08 0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1uad n PRO 20 Cb 0.55 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1uad n PRO 20 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1uad n TRP 21 N -2.06 0.00 -2.70 6.00 7.02 0.76 -4.95 117.44 121.50 1uad n TRP 21 Ca 0.13 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.20 1uad n TRP 21 Cb 0.49 -2.34 -0.06 0.00 -2.42 0.00 0.00 31.31 26.97 1uad n TRP 21 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uad s THR 22 N -2.40 3.96 -0.23 -0.99 2.01 -1.02 -4.64 115.64 112.33 1uad s THR 22 Ca 0.00 1.98 -0.26 0.00 0.31 0.00 0.00 61.69 63.72 1uad s THR 22 Cb 0.00 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1uad s THR 22 CO 0.00 0.47 0.89 -0.75 -0.69 0.00 0.00 174.62 174.54 1uad s LYS 23 N -1.24 4.21 0.04 4.92 2.20 -1.26 -1.25 119.74 127.36 1uad s LYS 23 Ca 0.42 1.07 0.09 0.00 -0.36 0.00 0.00 55.97 57.19 1uad s LYS 23 Cb -0.27 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1uad s LYS 23 CO 0.34 -0.54 -0.26 0.14 -0.36 0.00 0.00 175.35 174.66 1uad s VAL 24 N 2.91 2.14 -0.21 4.02 -7.23 0.21 -4.55 120.40 117.69 1uad s VAL 24 Ca 0.38 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1uad s VAL 24 Cb -0.15 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1uad s VAL 24 CO 0.07 0.39 0.17 -0.89 -0.31 0.00 0.00 175.10 174.53 1uad s THR 25 N -0.79 5.37 -0.20 5.32 2.01 0.14 -1.84 115.64 125.66 1uad s THR 25 Ca 0.12 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1uad s THR 25 Cb -0.10 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1uad s THR 25 CO 0.02 0.39 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.70 1uad s ILE 26 N 0.67 3.85 0.09 1.82 1.01 0.19 -1.10 121.20 127.73 1uad s ILE 26 Ca 0.09 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1uad s ILE 26 Cb -0.12 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1uad s ILE 26 CO 0.01 0.44 -0.14 -0.13 0.00 0.00 0.00 174.94 175.12 1uad s ARG 27 N 0.98 2.03 0.00 2.79 1.81 -0.19 -1.02 118.95 125.35 1uad s ARG 27 Ca 0.01 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 52.97 1uad s ARG 27 Cb -0.14 -2.23 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1uad s ARG 27 CO 0.01 0.51 0.00 0.41 -0.68 0.00 0.00 175.30 175.56 1uad n GLY 28 N 0.97 -0.67 3.21 -3.53 0.00 -0.67 -1.17 105.19 103.33 1uad n GLY 28 Ca -0.15 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1uad n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uad s GLU 29 N -0.67 1.39 -1.35 1.61 2.02 0.16 -4.25 118.70 117.61 1uad s GLU 29 Ca 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 1uad s GLU 29 Cb 0.00 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.82 1uad s GLU 29 CO 0.00 0.38 0.73 0.09 0.02 0.00 0.00 175.26 176.48 1uad n ASN 30 N 2.17 -1.75 -0.60 -0.19 3.02 -1.10 -1.14 115.26 115.67 1uad n ASN 30 Ca -0.16 -0.82 0.04 0.00 -0.03 0.00 0.00 54.58 53.60 1uad n ASN 30 Cb 0.54 -3.96 0.13 0.00 -0.61 0.00 0.00 39.78 35.87 1uad n ASN 30 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1uad n LEU 31 N -4.36 1.71 0.00 3.41 4.77 0.37 -3.80 117.00 119.10 1uad n LEU 31 Ca -0.24 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1uad n LEU 31 Cb 0.65 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1uad n LEU 31 CO 0.70 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1uad n GLY 32 N 0.81 4.28 0.04 -0.72 0.00 -1.26 -4.81 105.19 103.54 1uad n GLY 32 Ca 0.09 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1uad n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uad n THR 33 N -0.41 0.45 -3.69 2.61 -2.24 -1.26 -3.77 114.28 105.97 1uad n THR 33 Ca 0.00 0.01 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1uad n THR 33 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1uad n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uad s GLY 34 N -3.21 -0.39 0.44 3.38 0.00 -1.26 -4.98 107.32 101.29 1uad s GLY 34 Ca 0.11 0.66 0.16 0.00 0.00 0.00 0.00 44.72 45.64 1uad s GLY 34 CO 0.48 1.77 1.95 -2.55 0.00 0.00 0.00 173.10 174.75 1uad h PRO 35 N 2.00 0.37 0.00 2.90 0.11 -1.91 -1.19 132.00 134.28 1uad h PRO 35 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1uad h PRO 35 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1uad h PRO 35 CO 0.30 0.24 0.00 1.15 -0.21 0.00 0.00 178.00 179.48 1uad h THR 36 N 0.38 0.00 0.00 -1.15 2.02 -2.00 -3.29 112.91 108.87 1uad h THR 36 Ca 0.32 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1uad h THR 36 Cb 0.72 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1uad h THR 36 CO -0.09 0.00 0.00 -0.78 0.37 0.00 0.00 175.52 175.02 1uad h ASP 37 N 0.00 0.00 -3.36 4.18 3.58 -1.59 -3.44 116.42 115.79 1uad h ASP 37 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1uad h ASP 37 Cb 0.86 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 1uad h ASP 37 CO 0.00 0.00 0.77 -0.22 -2.88 0.00 0.00 179.24 176.91 1uad s LEU 38 N -6.15 3.95 -0.01 2.28 2.96 -1.24 -0.44 118.68 120.02 1uad s LEU 38 Ca 0.03 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 1uad s LEU 38 Cb 0.08 -3.46 0.03 0.00 0.50 0.00 0.00 46.19 43.33 1uad s LEU 38 CO 0.59 -0.86 0.86 2.30 -1.32 0.00 0.00 176.35 177.92 1uad n ILE 39 N 5.88 0.73 -3.64 6.68 -5.35 -0.41 -4.97 119.36 118.29 1uad n ILE 39 Ca 0.11 -0.76 -0.07 0.00 -0.27 0.00 0.00 62.75 61.75 1uad n ILE 39 Cb 0.47 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.89 1uad n ILE 39 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1uad s GLY 40 N -0.86 -0.24 -0.29 3.28 0.00 -0.77 -4.90 107.32 103.54 1uad s GLY 40 Ca 0.03 2.70 0.02 0.00 0.00 0.00 0.00 44.72 47.47 1uad s GLY 40 CO 0.00 2.16 0.54 -2.27 0.00 0.00 0.00 173.10 173.54 1uad s LEU 41 N 0.84 -1.33 -0.05 0.66 2.96 -1.25 -0.50 118.68 120.01 1uad s LEU 41 Ca -0.03 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1uad s LEU 41 Cb -0.05 1.84 -0.00 0.00 0.50 0.00 0.00 46.19 48.48 1uad s LEU 41 CO -0.10 -0.30 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.54 1uad s THR 42 N 2.77 1.68 -0.15 3.68 2.01 -0.34 -0.15 115.64 125.15 1uad s THR 42 Ca 0.14 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 1uad s THR 42 Cb -0.12 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 70.98 1uad s THR 42 CO -0.24 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.46 1uad s ILE 43 N 0.04 1.22 -1.37 1.82 1.01 -0.02 -0.89 121.20 123.00 1uad s ILE 43 Ca -0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1uad s ILE 43 Cb -0.13 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1uad s ILE 43 CO 0.03 0.26 1.17 0.00 0.00 0.00 0.00 174.94 176.40 1uad n GLY 45 N -1.98 2.93 3.71 0.00 0.00 -1.26 0.13 105.19 108.72 1uad n GLY 45 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1uad n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1uad s HIS 46 N -1.43 3.62 -0.32 1.61 5.65 -0.58 -4.61 115.29 119.22 1uad s HIS 46 Ca 0.00 1.66 -0.29 0.00 0.25 0.00 0.00 55.06 56.68 1uad s HIS 46 Cb 0.00 -3.15 0.01 0.00 -1.18 0.00 0.00 32.58 28.26 1uad s HIS 46 CO 0.00 -0.13 1.18 1.21 -0.65 0.00 0.00 174.74 176.36 1uad s ASN 47 N 1.03 6.79 0.00 9.88 3.04 -1.26 -0.84 114.94 133.58 1uad s ASN 47 Ca 0.52 1.08 0.11 0.00 0.04 0.00 0.00 52.86 54.61 1uad s ASN 47 Cb -0.21 -2.54 0.20 0.00 -1.54 0.00 0.00 41.25 37.16 1uad s ASN 47 CO 0.26 -1.00 1.06 0.00 -3.04 0.00 0.00 177.10 174.39 1uad h LEU 49 N 2.21 0.70 -1.47 0.00 5.85 -1.86 -1.61 115.31 119.14 1uad h LEU 49 Ca 0.00 0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.98 1uad h LEU 49 Cb 0.61 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1uad h LEU 49 CO 0.00 0.15 0.51 -0.07 -0.34 0.00 0.00 178.44 178.69 1uad h LEU 50 N 0.63 0.51 -2.30 2.25 4.07 -1.92 -1.53 115.31 117.02 1uad h LEU 50 Ca 0.63 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.61 1uad h LEU 50 Cb 1.14 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1uad h LEU 50 CO -0.45 0.28 0.00 0.35 -1.08 0.00 0.00 178.44 177.53 1uad n THR 51 N -4.50 0.49 -2.39 0.22 -2.24 -0.63 -4.97 114.28 100.24 1uad n THR 51 Ca 0.14 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 1uad n THR 51 Cb 0.45 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1uad n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uad s ALA 52 N -1.42 3.41 -0.25 6.98 0.00 -0.58 -4.27 121.76 125.63 1uad s ALA 52 Ca 0.35 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1uad s ALA 52 Cb 0.21 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1uad s ALA 52 CO 0.29 -0.46 -0.05 -2.00 0.00 0.00 0.00 175.76 173.54 1uad s GLU 53 N 1.08 1.71 0.18 0.00 2.12 0.17 -4.98 118.70 118.98 1uad s GLU 53 Ca 0.59 -1.13 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 1uad s GLU 53 Cb -0.30 -2.67 -0.09 0.00 0.26 0.00 0.00 34.13 31.32 1uad s GLU 53 CO 0.29 -0.63 1.42 -0.46 -0.54 0.00 0.00 175.26 175.34 1uad s TRP 54 N 1.31 3.15 -0.10 5.30 -0.00 -1.26 -1.86 118.94 125.48 1uad s TRP 54 Ca -0.05 0.98 -0.01 0.00 -0.00 0.00 0.00 56.10 57.02 1uad s TRP 54 Cb -0.19 -3.74 -0.06 0.00 -0.00 0.00 0.00 33.47 29.48 1uad s TRP 54 CO -0.07 -2.52 -0.10 -1.33 -0.00 0.00 0.00 176.95 172.93 1uad n MET 55 N 3.19 0.24 -3.80 5.86 2.81 -0.24 -4.88 117.12 120.31 1uad n MET 55 Ca 0.09 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 56.01 1uad n MET 55 Cb 0.41 -1.10 -0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1uad n MET 55 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1uad s SER 56 N -5.23 -0.13 0.00 7.83 1.04 -0.89 -4.94 113.70 111.39 1uad s SER 56 Ca -0.14 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 55.79 1uad s SER 56 Cb 0.04 0.55 0.31 0.00 0.10 0.00 0.00 66.02 67.03 1uad s SER 56 CO 0.21 -1.05 1.02 0.00 0.98 0.00 0.00 173.24 174.40 1uad n ALA 57 N -0.53 1.50 -0.01 5.32 0.00 -1.25 -1.31 120.51 124.24 1uad n ALA 57 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1uad n ALA 57 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1uad n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uad n SER 58 N -1.25 0.96 -3.75 0.00 3.41 -1.26 -0.48 113.62 111.25 1uad n SER 58 Ca 0.03 -0.99 -0.13 0.00 -0.26 0.00 0.00 58.87 57.53 1uad n SER 58 Cb 0.05 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1uad n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1uad s LYS 59 N -0.03 0.15 -0.02 4.33 2.20 -0.43 -1.67 119.74 124.27 1uad s LYS 59 Ca 0.00 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1uad s LYS 59 Cb 0.00 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1uad s LYS 59 CO 0.00 -0.15 -0.02 0.42 -0.36 0.00 0.00 175.35 175.24 1uad s ILE 60 N 1.06 0.28 -0.04 5.43 1.01 -0.19 -1.07 121.20 127.67 1uad s ILE 60 Ca -0.08 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.59 1uad s ILE 60 Cb -0.10 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1uad s ILE 60 CO -0.06 0.13 -0.22 -0.69 0.00 0.00 0.00 174.94 174.11 1uad s VAL 61 N 0.57 2.40 0.00 2.92 1.01 -0.78 0.55 120.40 127.08 1uad s VAL 61 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1uad s VAL 61 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1uad s VAL 61 CO -0.01 0.58 0.00 0.00 0.00 0.00 0.00 175.10 175.67 1uad s ARG 63 N -1.83 1.15 0.36 0.00 0.52 -1.26 -0.62 118.95 117.27 1uad s ARG 63 Ca 0.00 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1uad s ARG 63 Cb 0.00 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 1uad s ARG 63 CO 0.00 0.30 0.59 0.08 0.02 0.00 0.00 175.30 176.29 1uad s VAL 64 N -0.79 5.06 0.00 3.52 1.01 -0.38 -4.82 120.40 124.01 1uad s VAL 64 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1uad s VAL 64 Cb -0.08 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1uad s VAL 64 CO 0.01 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1uad n GLY 65 N -1.76 5.59 3.79 4.51 0.00 -1.26 0.27 105.19 116.32 1uad n GLY 65 Ca -0.04 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1uad n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uad s GLN 66 N 0.05 3.52 0.31 1.61 -0.21 -1.26 -4.75 119.66 118.93 1uad s GLN 66 Ca 0.00 1.45 -0.06 0.00 0.02 0.00 0.00 55.36 56.78 1uad s GLN 66 Cb 0.00 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 1uad s GLN 66 CO 0.00 -0.68 0.59 0.00 -2.12 0.00 0.00 175.29 173.08 1uad s ALA 67 N -1.95 3.58 -0.94 6.09 0.00 -1.26 -4.32 121.76 122.96 1uad s ALA 67 Ca 0.69 -0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.25 1uad s ALA 67 Cb -0.20 -2.36 0.24 0.00 0.00 0.00 0.00 23.12 20.80 1uad s ALA 67 CO 0.25 0.20 1.16 1.63 0.00 0.00 0.00 175.76 179.00 1uad n LYS 68 N -1.00 2.41 -3.87 0.00 5.02 0.12 -4.92 118.16 115.92 1uad n LYS 68 Ca -0.01 -1.84 -0.09 0.00 -2.02 0.00 0.00 58.31 54.35 1uad n LYS 68 Cb 0.54 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.25 1uad n LYS 68 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1uad s ASN 69 N -0.97 -0.02 0.05 4.39 0.01 -1.18 -4.89 114.94 112.33 1uad s ASN 69 Ca 0.20 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1uad s ASN 69 Cb 0.11 0.45 -0.26 0.00 0.41 0.00 0.00 41.25 41.95 1uad s ASN 69 CO 0.14 -0.89 1.04 0.44 -1.51 0.00 0.00 177.10 176.32 1uad h ASP 70 N 2.51 0.27 -4.10 -1.22 3.32 -1.94 -3.46 116.42 111.79 1uad h ASP 70 Ca -0.32 -0.33 -0.55 0.00 0.02 0.00 0.00 57.03 55.85 1uad h ASP 70 Cb 1.23 -0.09 0.14 0.00 0.22 0.00 0.00 39.33 40.84 1uad h ASP 70 CO 0.48 1.27 0.51 -0.54 -1.72 0.00 0.00 179.24 179.23 1uad s LYS 71 N -2.65 2.71 -0.57 3.56 -0.14 -1.26 -4.94 119.74 116.45 1uad s LYS 71 Ca -0.04 2.00 0.01 0.00 -1.36 0.00 0.00 55.97 56.57 1uad s LYS 71 Cb 0.08 -1.89 0.45 0.00 -1.68 0.00 0.00 37.83 34.79 1uad s LYS 71 CO 0.85 -1.46 1.78 0.41 -0.76 0.00 0.00 175.35 176.18 1uad n GLY 72 N 0.77 6.02 3.76 -3.33 0.00 -1.26 -4.34 105.19 106.82 1uad n GLY 72 Ca 0.15 -2.43 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 1uad n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uad s ASP 73 N -2.33 5.91 -0.42 1.61 -1.08 -1.26 0.17 116.67 119.28 1uad s ASP 73 Ca 0.60 2.60 0.03 0.00 -0.52 0.00 0.00 52.55 55.26 1uad s ASP 73 Cb 0.48 -2.63 0.12 0.00 -1.46 0.00 0.00 42.92 39.43 1uad s ASP 73 CO -0.02 -1.12 0.17 -0.63 0.52 0.00 0.00 175.17 174.10 1uad s ILE 74 N -1.36 1.93 -0.29 4.11 1.01 -1.26 -1.27 121.20 124.07 1uad s ILE 74 Ca 0.64 -2.55 -0.11 0.00 0.00 0.00 0.00 60.65 58.63 1uad s ILE 74 Cb -0.36 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1uad s ILE 74 CO 0.45 -0.75 0.17 -0.63 0.00 0.00 0.00 174.94 174.18 1uad s ILE 75 N 0.51 5.03 -0.12 2.92 1.01 -0.07 -4.02 121.20 126.45 1uad s ILE 75 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1uad s ILE 75 Cb -0.22 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1uad s ILE 75 CO -0.06 0.19 -0.02 -0.69 0.00 0.00 0.00 174.94 174.36 1uad s VAL 76 N 1.71 4.11 -0.09 2.92 1.01 -1.26 -1.19 120.40 127.60 1uad s VAL 76 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1uad s VAL 76 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1uad s VAL 76 CO 0.09 0.55 -0.21 -0.89 0.00 0.00 0.00 175.10 174.64 1uad s THR 77 N -0.25 1.80 0.18 3.92 2.01 0.35 -0.25 115.64 123.40 1uad s THR 77 Ca 0.05 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1uad s THR 77 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1uad s THR 77 CO 0.02 0.50 -0.19 0.28 -0.69 0.00 0.00 174.62 174.54 1uad s THR 78 N 0.45 1.96 0.08 -0.82 -1.32 -0.56 -1.29 115.64 114.12 1uad s THR 78 Ca -0.17 -1.98 -0.18 0.00 -1.21 0.00 0.00 61.69 58.14 1uad s THR 78 Cb -0.17 -1.93 -0.09 0.00 -1.51 0.00 0.00 72.50 68.79 1uad s THR 78 CO 0.07 -0.30 1.45 0.11 -2.21 0.00 0.00 174.62 173.75 1uad h LYS 79 N 3.15 0.50 -0.46 7.08 1.57 -1.07 -0.58 116.57 126.76 1uad h LYS 79 Ca -0.43 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.18 1uad h LYS 79 Cb 1.21 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1uad h LYS 79 CO 0.51 0.75 0.23 0.77 -0.57 0.00 0.00 179.45 181.14 1uad h SER 80 N 0.23 0.34 0.00 0.86 0.02 -1.95 -3.35 113.55 109.70 1uad h SER 80 Ca 0.06 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1uad h SER 80 Cb 0.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1uad h SER 80 CO 0.03 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1uad n GLY 81 N -1.23 -0.66 5.37 -3.77 0.00 -1.24 -2.15 105.19 101.51 1uad n GLY 81 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1uad n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uad n GLY 82 N -0.08 -1.37 3.74 -0.02 0.00 -0.23 -3.65 105.19 103.58 1uad n GLY 82 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1uad n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uad s ARG 83 N 0.00 4.66 0.07 1.61 3.52 -1.26 -1.50 118.95 126.04 1uad s ARG 83 Ca 0.00 1.59 0.01 0.00 -0.13 0.00 0.00 55.73 57.20 1uad s ARG 83 Cb 0.00 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1uad s ARG 83 CO 0.00 0.17 0.06 0.41 -0.81 0.00 0.00 175.30 175.13 1uad n GLY 84 N 2.08 2.76 3.26 8.12 0.00 0.65 -4.50 105.19 117.57 1uad n GLY 84 Ca 0.02 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1uad n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uad s THR 85 N -0.13 0.17 0.04 2.61 -4.23 -0.72 -4.51 115.64 108.87 1uad s THR 85 Ca 0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1uad s THR 85 Cb -0.00 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1uad s THR 85 CO 0.03 0.00 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.08 1uad s SER 86 N -3.26 0.98 0.10 3.99 1.04 -1.26 -0.87 113.70 114.42 1uad s SER 86 Ca 0.38 -0.46 0.22 0.00 0.48 0.00 0.00 55.95 56.58 1uad s SER 86 Cb 0.06 -0.01 -0.14 0.00 0.10 0.00 0.00 66.02 66.03 1uad s SER 86 CO 0.15 -0.11 0.81 0.35 0.98 0.00 0.00 173.24 175.42 1uad n THR 87 N 1.79 0.34 -4.04 2.02 -2.24 0.55 -4.92 114.28 107.78 1uad n THR 87 Ca -0.20 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 60.83 1uad n THR 87 Cb 0.55 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1uad n THR 87 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1uad s VAL 88 N -3.42 2.86 0.13 2.28 -7.23 -1.26 -5.06 120.40 108.70 1uad s VAL 88 Ca -0.03 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1uad s VAL 88 Cb 0.12 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1uad s VAL 88 CO 0.84 -0.13 -0.10 -0.94 -0.31 0.00 0.00 175.10 174.46 1uad s SER 89 N -3.89 1.66 -0.07 4.85 1.04 -1.26 -4.46 113.70 111.57 1uad s SER 89 Ca 0.39 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1uad s SER 89 Cb -0.01 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1uad s SER 89 CO 0.23 -0.32 -0.07 0.12 0.98 0.00 0.00 173.24 174.19 1uad s PHE 90 N -3.07 2.94 -0.39 5.02 5.36 0.13 -4.89 117.98 123.08 1uad s PHE 90 Ca 0.13 0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.02 1uad s PHE 90 Cb 0.01 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 41.02 1uad s PHE 90 CO 0.00 0.33 0.22 0.21 -1.46 0.00 0.00 175.22 174.52 1uad s LYS 91 N -0.80 2.76 -0.23 10.12 2.20 0.66 -4.03 119.74 130.42 1uad s LYS 91 Ca 0.12 -1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 54.25 1uad s LYS 91 Cb -0.11 -3.75 -0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1uad s LYS 91 CO 0.01 -0.78 1.22 -1.17 -0.36 0.00 0.00 175.35 174.28 1uad s LEU 92 N 1.52 4.06 0.30 5.43 2.96 -1.26 -2.00 118.68 129.69 1uad s LEU 92 Ca 0.02 1.45 -0.02 0.00 -0.22 0.00 0.00 54.13 55.35 1uad s LEU 92 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1uad s LEU 92 CO 0.05 -0.84 0.53 -0.76 -1.32 0.00 0.00 176.35 174.01 1uad s LEU 93 N 3.69 4.06 -0.10 -0.68 1.43 0.39 -4.92 118.68 122.55 1uad s LEU 93 Ca 0.52 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1uad s LEU 93 Cb -0.18 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1uad s LEU 93 CO 0.15 -0.22 -0.10 -0.54 0.23 0.00 0.00 176.35 175.87 1uad s LYS 94 N -3.81 3.12 0.00 1.70 1.02 -1.26 -3.89 119.74 116.62 1uad s LYS 94 Ca 0.42 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1uad s LYS 94 Cb -0.10 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1uad s LYS 94 CO 0.32 0.40 0.30 -2.30 -0.92 0.00 0.00 175.35 173.15