#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrl s SER 2 N 0.00 5.81 0.12 1.61 1.04 -1.26 -5.07 113.70 115.95 2yrl s SER 2 Ca 0.00 0.39 -0.26 0.00 0.48 0.00 0.00 55.95 56.56 2yrl s SER 2 Cb 0.00 -1.59 -0.07 0.00 0.10 0.00 0.00 66.02 64.46 2yrl s SER 2 CO 0.00 -0.76 0.81 -0.44 0.98 0.00 0.00 173.24 173.83 2yrl s SER 3 N -4.23 7.36 0.00 7.02 0.01 -1.26 -4.93 113.70 117.68 2yrl s SER 3 Ca 0.49 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2yrl s SER 3 Cb -0.10 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2yrl s SER 3 CO 0.39 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2yrl n GLY 4 N 1.96 0.00 3.59 3.44 0.00 -1.26 -5.07 105.19 107.85 2yrl n GLY 4 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.45 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrl n SER 5 N -2.33 1.52 -4.49 1.61 2.88 -1.26 -4.96 113.62 106.60 2yrl n SER 5 Ca 0.00 1.12 -0.25 0.00 -1.33 0.00 0.00 58.87 58.41 2yrl n SER 5 Cb 0.14 -1.15 0.14 0.00 -0.75 0.00 0.00 64.21 62.59 2yrl n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yrl s SER 6 N 0.79 3.90 0.05 -3.46 1.04 -1.26 -4.99 113.70 109.77 2yrl s SER 6 Ca 0.87 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 56.64 2yrl s SER 6 Cb -1.01 0.15 -0.09 0.00 0.10 0.00 0.00 66.02 65.16 2yrl s SER 6 CO 0.50 -2.18 1.94 -0.83 0.98 0.00 0.00 173.24 173.66 2yrl s GLY 7 N -4.83 1.44 0.01 7.32 0.00 -1.26 -4.89 107.32 105.10 2yrl s GLY 7 Ca 0.70 1.33 -0.23 0.00 0.00 0.00 0.00 44.72 46.52 2yrl s GLY 7 CO 0.47 3.42 1.30 -1.61 0.00 0.00 0.00 173.10 176.68 2yrl h GLN 8 N 10.32 0.19 -3.52 2.90 5.75 -1.95 -3.39 115.11 125.42 2yrl h GLN 8 Ca -0.49 -0.10 -0.41 0.00 -0.15 0.00 0.00 58.65 57.49 2yrl h GLN 8 Cb 1.23 0.01 -0.39 0.00 1.07 0.00 0.00 27.48 29.40 2yrl h GLN 8 CO 0.94 0.64 -0.76 0.00 -2.65 0.00 0.00 178.83 177.00 2yrl s ALA 9 N -4.24 0.50 -0.34 3.38 0.00 -1.24 -4.29 121.76 115.52 2yrl s ALA 9 Ca -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 2yrl s ALA 9 Cb 0.03 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.52 2yrl s ALA 9 CO 0.72 -0.50 0.09 0.34 0.00 0.00 0.00 175.76 176.40 2yrl s ASP 10 N 2.06 5.06 -0.15 0.00 2.15 -1.26 -4.65 116.67 119.88 2yrl s ASP 10 Ca 0.05 -1.58 0.01 0.00 0.43 0.00 0.00 52.55 51.46 2yrl s ASP 10 Cb -0.12 -1.76 0.17 0.00 -0.30 0.00 0.00 42.92 40.90 2yrl s ASP 10 CO -0.04 -0.37 1.54 0.00 -0.17 0.00 0.00 175.17 176.12 2yrl n ALA 11 N 4.61 3.85 -1.30 3.66 0.00 -1.26 -4.61 120.51 125.46 2yrl n ALA 11 Ca -0.08 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.64 2yrl n ALA 11 Cb 0.43 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 2yrl n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrl n GLY 12 N 0.32 -2.93 2.02 0.00 0.00 -1.26 -4.69 105.19 98.65 2yrl n GLY 12 Ca 0.17 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2yrl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrl n PRO 13 N -4.12 -2.26 -1.75 1.61 -0.04 -1.26 -4.88 135.00 122.30 2yrl n PRO 13 Ca -0.06 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 2yrl n PRO 13 Cb 0.61 -0.95 -0.01 0.00 -0.04 0.00 0.00 33.50 33.12 2yrl n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2yrl n ASP 14 N -4.09 3.76 -4.49 3.54 5.75 -1.26 -4.82 116.55 114.95 2yrl n ASP 14 Ca 0.09 1.18 -0.37 0.00 -0.01 0.00 0.00 54.79 55.68 2yrl n ASP 14 Cb 0.34 -1.60 -0.12 0.00 -1.03 0.00 0.00 41.12 38.71 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2yrl s LYS 15 N -1.23 3.74 -0.27 0.11 -0.14 -0.68 -5.04 119.74 116.23 2yrl s LYS 15 Ca 0.59 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.79 2yrl s LYS 15 Cb -0.49 -3.44 0.07 0.00 -1.68 0.00 0.00 37.83 32.29 2yrl s LYS 15 CO 0.56 -0.19 -0.02 -2.00 -0.76 0.00 0.00 175.35 172.93 2yrl s GLU 16 N 1.66 1.57 0.11 1.68 2.12 -1.26 -0.03 118.70 124.55 2yrl s GLU 16 Ca 0.07 -1.24 0.04 0.00 0.36 0.00 0.00 54.97 54.19 2yrl s GLU 16 Cb -0.15 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 2yrl s GLU 16 CO 0.06 -0.71 0.11 -0.51 -0.54 0.00 0.00 175.26 173.66 2yrl s LEU 17 N 1.27 3.83 -0.18 2.70 1.43 -0.22 -4.99 118.68 122.53 2yrl s LEU 17 Ca -0.01 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2yrl s LEU 17 Cb -0.19 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.60 2yrl s LEU 17 CO -0.09 0.13 -0.01 -0.89 0.23 0.00 0.00 176.35 175.73 2yrl s THR 18 N -1.52 0.84 0.86 5.49 2.01 -1.26 -0.12 115.64 121.94 2yrl s THR 18 Ca 0.30 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 2yrl s THR 18 Cb -0.11 -1.16 -0.14 0.00 0.01 0.00 0.00 72.50 71.09 2yrl s THR 18 CO 0.23 -0.03 -0.66 0.18 -0.69 0.00 0.00 174.62 173.65 2yrl n LEU 19 N 4.95 -5.26 0.00 4.42 7.99 -1.01 -2.61 117.00 125.48 2yrl n LEU 19 Ca -0.10 0.23 0.07 0.00 -0.01 0.00 0.00 56.01 56.20 2yrl n LEU 19 Cb 0.47 -0.71 0.41 0.00 -0.11 0.00 0.00 43.42 43.48 2yrl n LEU 19 CO 0.15 -5.40 0.69 -0.81 -1.51 0.00 0.00 177.39 170.50 2yrl n PRO 20 N 2.17 0.32 -1.52 3.23 -0.04 -1.26 -4.00 135.00 133.91 2yrl n PRO 20 Ca -0.01 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 2yrl n PRO 20 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2yrl n PRO 20 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yrl n VAL 21 N -1.17 0.00 -1.70 0.52 0.31 -1.07 -4.72 118.33 110.49 2yrl n VAL 21 Ca 0.09 -0.45 -0.34 0.00 -0.01 0.00 0.00 64.34 63.63 2yrl n VAL 21 Cb 0.09 -1.32 0.05 0.00 -0.91 0.00 0.00 33.84 31.75 2yrl n VAL 21 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2yrl n ASP 22 N 14.38 6.99 -3.61 4.52 5.68 -1.26 -4.23 116.55 139.02 2yrl n ASP 22 Ca 0.50 -3.79 -0.15 0.00 -0.50 0.00 0.00 54.79 50.85 2yrl n ASP 22 Cb 0.35 -0.87 -0.07 0.00 -1.14 0.00 0.00 41.12 39.40 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2yrl s SER 23 N -2.02 -0.68 0.24 -1.12 1.04 -1.26 -1.50 113.70 108.39 2yrl s SER 23 Ca 0.58 1.15 -0.04 0.00 0.48 0.00 0.00 55.95 58.11 2yrl s SER 23 Cb 0.47 1.11 -0.02 0.00 0.10 0.00 0.00 66.02 67.68 2yrl s SER 23 CO -0.14 -0.35 0.28 0.28 0.98 0.00 0.00 173.24 174.29 2yrl s THR 24 N -0.15 0.00 -0.07 2.02 -1.32 -0.86 -5.02 115.64 110.24 2yrl s THR 24 Ca -0.04 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 2yrl s THR 24 Cb -0.03 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 2yrl s THR 24 CO 0.04 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.82 2yrl s THR 25 N -3.97 0.66 -0.94 5.08 -4.23 -1.26 -1.85 115.64 109.13 2yrl s THR 25 Ca 0.33 -0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2yrl s THR 25 Cb 0.04 -0.71 0.20 0.00 1.34 0.00 0.00 72.50 73.37 2yrl s THR 25 CO 0.13 0.28 0.99 -0.76 -0.54 0.00 0.00 174.62 174.72 2yrl s LEU 26 N 1.36 6.08 -0.58 4.79 1.43 0.09 -4.96 118.68 126.88 2yrl s LEU 26 Ca -0.04 -2.72 -0.28 0.00 -1.03 0.00 0.00 54.13 50.07 2yrl s LEU 26 Cb -0.14 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2yrl s LEU 26 CO -0.03 -0.66 1.16 -0.62 0.23 0.00 0.00 176.35 176.42 2yrl s ASP 27 N 2.45 6.42 -0.36 2.29 -1.08 -1.26 -2.66 116.67 122.48 2yrl s ASP 27 Ca 0.27 0.02 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 2yrl s ASP 27 Cb -0.08 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.43 2yrl s ASP 27 CO -0.08 -1.45 1.67 0.61 0.52 0.00 0.00 175.17 176.44 2yrl n GLY 28 N 5.08 4.69 0.25 2.66 0.00 -0.17 -4.52 105.19 113.18 2yrl n GLY 28 Ca 0.07 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 45.02 2yrl n GLY 28 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yrl h SER 29 N 1.05 0.00 -1.39 1.61 0.02 -1.87 -2.98 113.55 109.99 2yrl h SER 29 Ca 0.40 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.67 2yrl h SER 29 Cb 2.20 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 64.55 2yrl h SER 29 CO 0.70 0.08 1.38 0.29 -1.14 0.00 0.00 176.83 178.14 2yrl n LYS 30 N -4.22 3.81 0.00 3.45 4.76 -1.26 -4.49 118.16 120.21 2yrl n LYS 30 Ca -0.03 -3.29 -0.19 0.00 -2.87 0.00 0.00 58.31 51.93 2yrl n LYS 30 Cb 0.16 -2.40 -0.14 0.00 -1.84 0.00 0.00 35.03 30.81 2yrl n LYS 30 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2yrl n SER 31 N 0.91 1.90 -4.30 4.39 7.64 -1.13 -4.30 113.62 118.73 2yrl n SER 31 Ca 0.55 0.25 -0.16 0.00 1.01 0.00 0.00 58.87 60.52 2yrl n SER 31 Cb 0.35 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 2yrl n SER 31 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yrl s SER 32 N -6.87 1.57 0.06 6.43 0.01 -1.26 -3.73 113.70 109.90 2yrl s SER 32 Ca -0.19 -1.22 -0.02 0.00 1.31 0.00 0.00 55.95 55.83 2yrl s SER 32 Cb 0.07 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 2yrl s SER 32 CO 0.78 -0.55 -0.04 -0.67 0.41 0.00 0.00 173.24 173.17 2yrl n ASP 33 N -0.36 1.12 -0.08 2.44 2.03 -1.26 -4.95 116.55 115.49 2yrl n ASP 33 Ca -0.05 0.15 -0.07 0.00 0.52 0.00 0.00 54.79 55.33 2yrl n ASP 33 Cb 0.64 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 2yrl n ASP 33 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2yrl n ASP 34 N -3.57 1.84 -4.59 1.67 9.92 -1.26 -4.82 116.55 115.75 2yrl n ASP 34 Ca -0.02 0.55 -0.42 0.00 -0.53 0.00 0.00 54.79 54.36 2yrl n ASP 34 Cb 0.11 -0.85 -0.02 0.00 -0.64 0.00 0.00 41.12 39.72 2yrl n ASP 34 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2yrl s GLN 35 N -2.40 3.50 1.14 -1.24 2.00 -1.26 -5.00 119.66 116.40 2yrl s GLN 35 Ca -0.20 0.54 -0.13 0.00 -2.00 0.00 0.00 55.36 53.58 2yrl s GLN 35 Cb 0.03 -4.03 0.26 0.00 0.80 0.00 0.00 33.01 30.07 2yrl s GLN 35 CO 0.30 -1.68 0.95 1.63 -0.50 0.00 0.00 175.29 175.99 2yrl n LYS 36 N 8.31 -2.18 -4.95 1.67 5.02 -1.26 -4.72 118.16 120.04 2yrl n LYS 36 Ca 0.12 -0.60 -0.27 0.00 -2.02 0.00 0.00 58.31 55.54 2yrl n LYS 36 Cb 0.49 -2.15 -0.16 0.00 -0.02 0.00 0.00 35.03 33.18 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2yrl s ILE 37 N -2.42 1.58 -0.25 -0.18 1.01 -1.26 -4.17 121.20 115.51 2yrl s ILE 37 Ca 0.67 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 60.61 2yrl s ILE 37 Cb -0.24 -1.34 0.45 0.00 0.01 0.00 0.00 42.46 41.34 2yrl s ILE 37 CO 0.65 0.45 1.19 2.30 0.00 0.00 0.00 174.94 179.53 2yrl n ILE 38 N 2.92 2.22 -3.65 2.92 -5.35 -1.11 -5.01 119.36 112.30 2yrl n ILE 38 Ca -0.17 -3.67 -0.12 0.00 -0.27 0.00 0.00 62.75 58.52 2yrl n ILE 38 Cb 0.53 -0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 37.78 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2yrl s SER 39 N -3.43 -0.74 -0.14 7.28 0.01 -1.25 -4.91 113.70 110.52 2yrl s SER 39 Ca 0.44 1.36 -0.07 0.00 1.31 0.00 0.00 55.95 58.99 2yrl s SER 39 Cb 0.39 1.34 0.05 0.00 0.21 0.00 0.00 66.02 68.01 2yrl s SER 39 CO -0.01 -0.23 0.33 -0.31 0.41 0.00 0.00 173.24 173.43 2yrl s TYR 40 N 0.68 -0.48 -0.09 2.43 1.51 -1.26 -3.88 117.35 116.26 2yrl s TYR 40 Ca -0.03 1.06 -0.04 0.00 -1.01 0.00 0.00 57.07 57.06 2yrl s TYR 40 Cb -0.05 0.16 0.05 0.00 -0.11 0.00 0.00 41.96 42.01 2yrl s TYR 40 CO -0.04 -0.30 0.18 -1.17 -1.11 0.00 0.00 175.55 173.11 2yrl s LEU 41 N 1.39 0.13 -0.19 -1.29 2.96 -1.07 -4.21 118.68 116.40 2yrl s LEU 41 Ca -0.09 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2yrl s LEU 41 Cb -0.09 0.41 0.01 0.00 0.50 0.00 0.00 46.19 47.02 2yrl s LEU 41 CO -0.11 -0.21 -0.15 0.26 -1.32 0.00 0.00 176.35 174.82 2yrl s TRP 42 N 1.94 2.84 0.01 5.38 0.52 -0.30 -2.19 118.94 127.14 2yrl s TRP 42 Ca -0.01 -1.47 -0.06 0.00 0.02 0.00 0.00 56.10 54.57 2yrl s TRP 42 Cb -0.12 -1.97 -0.00 0.00 -1.15 0.00 0.00 33.47 30.23 2yrl s TRP 42 CO -0.07 -0.74 0.12 -1.21 0.02 0.00 0.00 176.95 175.07 2yrl s GLU 43 N 1.34 0.51 -0.45 4.98 2.02 -1.12 -4.78 118.70 121.19 2yrl s GLU 43 Ca 0.05 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.32 2yrl s GLU 43 Cb -0.13 0.21 0.03 0.00 0.10 0.00 0.00 34.13 34.33 2yrl s GLU 43 CO -0.10 -0.12 0.67 0.21 0.02 0.00 0.00 175.26 175.94 2yrl s LYS 44 N -1.71 3.28 -0.08 1.61 2.20 -1.26 -0.23 119.74 123.55 2yrl s LYS 44 Ca -0.12 -0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 54.85 2yrl s LYS 44 Cb -0.06 -3.97 -0.21 0.00 -1.51 0.00 0.00 37.83 32.08 2yrl s LYS 44 CO -0.00 -1.06 0.96 1.79 -0.36 0.00 0.00 175.35 176.68 2yrl h THR 45 N 5.90 1.42 -0.21 3.43 1.35 0.19 -3.48 112.91 121.50 2yrl h THR 45 Ca -0.25 -1.62 -0.69 0.00 -0.55 0.00 0.00 66.41 63.30 2yrl h THR 45 Cb 1.09 2.46 -0.13 0.00 -1.73 0.00 0.00 68.15 69.85 2yrl h THR 45 CO 0.92 0.40 -0.50 -1.10 -0.25 0.00 0.00 175.52 174.98 2yrl s GLN 46 N -3.22 2.22 0.00 4.72 -0.21 -1.10 -4.99 119.66 117.09 2yrl s GLN 46 Ca -0.16 -2.43 0.00 0.00 0.02 0.00 0.00 55.36 52.78 2yrl s GLN 46 Cb -0.00 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.48 2yrl s GLN 46 CO 0.63 -0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 2yrl n GLY 47 N -1.30 0.99 3.77 3.09 0.00 -1.22 -2.79 105.19 107.72 2yrl n GLY 47 Ca -0.21 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2yrl n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 48 N -2.06 4.25 -0.24 1.61 0.04 -1.26 -4.99 135.00 132.35 2yrl s PRO 48 Ca 0.00 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 2yrl s PRO 48 Cb 0.00 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2yrl s PRO 48 CO 0.00 -0.19 0.96 0.34 0.04 0.00 0.00 177.00 178.15 2yrl s ASP 49 N -0.86 6.99 0.00 6.66 2.15 -1.26 -4.44 116.67 125.92 2yrl s ASP 49 Ca 0.52 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.74 2yrl s ASP 49 Cb -0.34 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2yrl s ASP 49 CO 0.44 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 2yrl n GLY 50 N 3.50 0.08 3.17 2.66 0.00 -1.26 -5.15 105.19 108.19 2yrl n GLY 50 Ca 0.09 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2yrl n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yrl n VAL 51 N 0.00 0.24 -4.12 1.61 0.24 -1.26 -4.96 118.33 110.08 2yrl n VAL 51 Ca 0.00 -0.46 -0.33 0.00 -2.04 0.00 0.00 64.34 61.51 2yrl n VAL 51 Cb 0.00 -0.16 -0.15 0.00 -1.47 0.00 0.00 33.84 32.05 2yrl n VAL 51 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yrl s GLN 52 N -2.00 3.10 -0.15 7.34 -1.52 0.33 -4.94 119.66 121.81 2yrl s GLN 52 Ca 0.50 -0.77 -0.12 0.00 -1.95 0.00 0.00 55.36 53.01 2yrl s GLN 52 Cb -0.29 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 29.78 2yrl s GLN 52 CO 0.74 -0.18 0.26 -0.51 -0.25 0.00 0.00 175.29 175.34 2yrl s LEU 53 N 1.28 4.27 -0.04 2.90 1.43 -1.26 -0.89 118.68 126.38 2yrl s LEU 53 Ca 0.04 0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 2yrl s LEU 53 Cb -0.14 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 2yrl s LEU 53 CO -0.09 0.17 -0.24 -1.61 0.23 0.00 0.00 176.35 174.80 2yrl s GLU 54 N 0.16 2.33 -1.43 1.70 8.01 0.11 -4.66 118.70 124.93 2yrl s GLU 54 Ca 0.15 -0.90 -0.04 0.00 0.01 0.00 0.00 54.97 54.19 2yrl s GLU 54 Cb -0.13 -2.12 0.00 0.00 -4.31 0.00 0.00 34.13 27.57 2yrl s GLU 54 CO 0.04 0.49 0.53 0.09 0.01 0.00 0.00 175.26 176.42 2yrl n ASN 55 N 2.64 -5.73 -0.03 -0.19 3.02 -1.26 -1.82 115.26 111.90 2yrl n ASN 55 Ca -0.17 -0.25 0.22 0.00 -0.03 0.00 0.00 54.58 54.35 2yrl n ASN 55 Cb 0.51 -4.56 0.70 0.00 -0.61 0.00 0.00 39.78 35.82 2yrl n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yrl h ALA 56 N 0.91 2.54 -0.36 5.41 0.00 -1.86 0.28 119.26 126.18 2yrl h ALA 56 Ca -0.48 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2yrl h ALA 56 Cb 1.33 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 2yrl h ALA 56 CO 0.52 -0.73 0.27 -1.71 0.00 0.00 0.00 179.25 177.60 2yrl n ASN 57 N -4.32 4.47 -4.00 0.00 2.85 -1.26 -1.15 115.26 111.85 2yrl n ASN 57 Ca 0.11 -2.72 -0.09 0.00 -0.11 0.00 0.00 54.58 51.78 2yrl n ASN 57 Cb 0.67 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.78 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2yrl s SER 58 N 0.35 0.30 0.47 1.20 0.01 0.09 -4.75 113.70 111.37 2yrl s SER 58 Ca 0.22 -0.65 0.21 0.00 1.31 0.00 0.00 55.95 57.04 2yrl s SER 58 Cb 0.18 0.15 1.23 0.00 0.21 0.00 0.00 66.02 67.79 2yrl s SER 58 CO 0.02 -0.43 1.93 0.28 0.41 0.00 0.00 173.24 175.45 2yrl h SER 59 N 4.02 0.21 -3.76 2.44 0.02 -1.88 -3.35 113.55 111.25 2yrl h SER 59 Ca -0.33 0.02 -0.68 0.00 -0.84 0.00 0.00 61.79 59.95 2yrl h SER 59 Cb 1.18 -0.03 -0.32 0.00 0.14 0.00 0.00 62.40 63.37 2yrl h SER 59 CO 0.50 0.10 -0.69 -0.69 -1.14 0.00 0.00 176.83 174.91 2yrl s VAL 60 N -5.23 3.07 0.20 2.27 1.01 -1.26 -1.00 120.40 119.47 2yrl s VAL 60 Ca -0.07 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 60.61 2yrl s VAL 60 Cb 0.21 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2yrl s VAL 60 CO 0.76 -0.12 0.11 0.00 0.00 0.00 0.00 175.10 175.85 2yrl s ALA 61 N 1.27 3.46 -0.06 5.51 0.00 -1.09 -4.82 121.76 126.03 2yrl s ALA 61 Ca -0.05 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.59 2yrl s ALA 61 Cb -0.20 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.72 2yrl s ALA 61 CO -0.01 0.40 -0.14 0.99 0.00 0.00 0.00 175.76 177.00 2yrl s THR 62 N -1.92 1.25 -0.23 0.00 2.01 -0.76 -0.73 115.64 115.26 2yrl s THR 62 Ca 0.31 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.74 2yrl s THR 62 Cb -0.09 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.34 2yrl s THR 62 CO 0.22 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 2yrl s VAL 63 N 0.41 2.41 0.26 3.82 1.01 -0.77 0.06 120.40 127.61 2yrl s VAL 63 Ca -0.11 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.76 2yrl s VAL 63 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2yrl s VAL 63 CO 0.03 0.23 0.13 0.42 0.00 0.00 0.00 175.10 175.92 2yrl s THR 64 N 1.25 4.04 -0.27 3.92 -4.23 -0.07 -2.03 115.64 118.25 2yrl s THR 64 Ca -0.01 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2yrl s THR 64 Cb -0.17 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2yrl s THR 64 CO -0.07 -0.35 0.23 0.61 -0.54 0.00 0.00 174.62 174.50 2yrl n GLY 65 N -1.09 0.48 3.84 3.99 0.00 -0.56 -0.51 105.19 111.34 2yrl n GLY 65 Ca -0.07 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2yrl n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrl s LEU 66 N -2.57 4.36 0.29 0.99 1.43 -0.70 -4.04 118.68 118.43 2yrl s LEU 66 Ca 0.07 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2yrl s LEU 66 Cb -0.03 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 2yrl s LEU 66 CO 0.15 0.12 0.02 -1.10 0.23 0.00 0.00 176.35 175.77 2yrl s GLN 67 N -1.86 1.53 -0.73 1.70 -0.21 -1.26 -4.63 119.66 114.20 2yrl s GLN 67 Ca 0.37 -1.82 -0.24 0.00 0.02 0.00 0.00 55.36 53.69 2yrl s GLN 67 Cb -0.16 -0.81 -0.15 0.00 1.00 0.00 0.00 33.01 32.89 2yrl s GLN 67 CO 0.19 -0.13 2.42 0.28 -2.12 0.00 0.00 175.29 175.93 2yrl n VAL 68 N -0.58 -0.03 -3.25 1.09 0.31 -1.26 -4.60 118.33 110.00 2yrl n VAL 68 Ca -0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2yrl n VAL 68 Cb 0.65 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2yrl n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yrl n GLY 69 N 6.32 1.10 3.18 2.92 0.00 -1.25 -4.97 105.19 112.49 2yrl n GLY 69 Ca 0.48 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2yrl n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrl s THR 70 N -2.29 2.57 -0.22 2.61 2.01 -1.26 -2.68 115.64 116.38 2yrl s THR 70 Ca 0.00 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 2yrl s THR 70 Cb 0.00 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2yrl s THR 70 CO 0.00 0.40 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.93 2yrl s TYR 71 N 1.33 2.94 -0.33 4.92 1.51 -0.70 -3.43 117.35 123.59 2yrl s TYR 71 Ca 0.03 -1.36 -0.10 0.00 -1.01 0.00 0.00 57.07 54.63 2yrl s TYR 71 Cb -0.14 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2yrl s TYR 71 CO -0.08 -0.69 0.16 0.08 -1.11 0.00 0.00 175.55 173.91 2yrl s VAL 72 N 1.37 4.46 -0.24 0.71 1.01 -1.12 -1.51 120.40 125.09 2yrl s VAL 72 Ca 0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2yrl s VAL 72 Cb -0.15 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2yrl s VAL 72 CO -0.07 -0.05 0.00 -0.36 0.00 0.00 0.00 175.10 174.63 2yrl s PHE 73 N 1.57 3.02 -0.08 5.22 0.08 -1.20 0.92 117.98 127.51 2yrl s PHE 73 Ca 0.03 -0.79 -0.17 0.00 0.12 0.00 0.00 56.93 56.12 2yrl s PHE 73 Cb -0.18 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 2yrl s PHE 73 CO 0.06 -0.49 0.46 0.99 -0.10 0.00 0.00 175.22 176.14 2yrl s THR 74 N 1.52 5.12 -0.39 0.64 2.01 0.68 -2.35 115.64 122.87 2yrl s THR 74 Ca 0.06 0.94 -0.08 0.00 0.31 0.00 0.00 61.69 62.92 2yrl s THR 74 Cb -0.15 -3.80 0.07 0.00 0.01 0.00 0.00 72.50 68.63 2yrl s THR 74 CO -0.01 0.40 0.20 -0.22 -0.69 0.00 0.00 174.62 174.31 2yrl s LEU 75 N 0.11 4.88 -0.37 4.42 2.96 0.45 -2.79 118.68 128.34 2yrl s LEU 75 Ca 0.25 -1.44 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 2yrl s LEU 75 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 2yrl s LEU 75 CO 0.11 -0.47 0.25 -0.89 -1.32 0.00 0.00 176.35 174.04 2yrl s THR 76 N 1.38 5.03 0.42 3.68 2.01 -0.93 -2.28 115.64 124.95 2yrl s THR 76 Ca 0.02 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2yrl s THR 76 Cb -0.22 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2yrl s THR 76 CO 0.02 -0.18 0.02 0.68 -0.69 0.00 0.00 174.62 174.46 2yrl s VAL 77 N 1.65 1.64 0.01 3.82 -7.23 -1.18 -2.60 120.40 116.51 2yrl s VAL 77 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2yrl s VAL 77 Cb -0.18 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2yrl s VAL 77 CO 0.09 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.41 2yrl s LYS 78 N -3.77 0.39 0.50 4.82 1.02 -1.25 -2.90 119.74 118.55 2yrl s LYS 78 Ca 0.29 -0.45 0.06 0.00 0.02 0.00 0.00 55.97 55.89 2yrl s LYS 78 Cb 0.08 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2yrl s LYS 78 CO 0.14 -0.08 0.38 -0.51 -0.92 0.00 0.00 175.35 174.36 2yrl s ASP 79 N -1.32 4.70 0.52 2.83 1.11 -1.21 -2.74 116.67 120.56 2yrl s ASP 79 Ca -0.14 -1.12 0.32 0.00 0.18 0.00 0.00 52.55 51.80 2yrl s ASP 79 Cb -0.08 0.10 1.46 0.00 1.07 0.00 0.00 42.92 45.47 2yrl s ASP 79 CO 0.00 -0.95 1.82 -0.08 1.18 0.00 0.00 175.17 177.14 2yrl h GLU 80 N 0.88 0.07 -1.12 8.23 4.81 -1.93 0.54 114.58 126.05 2yrl h GLU 80 Ca -0.38 -0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.57 2yrl h GLU 80 Cb 1.29 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 2yrl h GLU 80 CO 0.58 0.05 0.35 0.54 -0.73 0.00 0.00 179.01 179.80 2yrl n ARG 81 N -4.28 1.66 -3.57 1.92 1.74 -1.26 -4.84 116.66 108.03 2yrl n ARG 81 Ca 0.24 -1.50 -0.24 0.00 -0.77 0.00 0.00 57.85 55.58 2yrl n ARG 81 Cb 1.12 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 2yrl n ARG 81 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2yrl n ASN 82 N -0.16 -1.41 -4.65 0.55 4.13 0.19 -4.81 115.26 109.10 2yrl n ASN 82 Ca 0.30 -0.48 -0.43 0.00 1.68 0.00 0.00 54.58 55.65 2yrl n ASN 82 Cb 0.96 -1.29 -0.02 0.00 -1.54 0.00 0.00 39.78 37.89 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2yrl s LEU 83 N -6.05 4.10 -0.35 3.41 1.43 -1.24 -4.82 118.68 115.15 2yrl s LEU 83 Ca 0.46 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 2yrl s LEU 83 Cb -0.27 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.42 2yrl s LEU 83 CO 0.57 -0.86 0.77 -1.58 0.23 0.00 0.00 176.35 175.47 2yrl s GLN 84 N 3.72 3.80 0.18 1.70 0.74 -1.26 -3.35 119.66 125.19 2yrl s GLN 84 Ca 0.56 0.36 0.07 0.00 0.05 0.00 0.00 55.36 56.40 2yrl s GLN 84 Cb -0.21 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 2yrl s GLN 84 CO 0.17 -0.79 -0.14 0.45 -0.55 0.00 0.00 175.29 174.43 2yrl s SER 85 N 1.78 2.38 0.03 6.67 0.15 -1.14 -5.06 113.70 118.50 2yrl s SER 85 Ca 0.31 -0.96 0.01 0.00 0.70 0.00 0.00 55.95 56.01 2yrl s SER 85 Cb -0.14 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2yrl s SER 85 CO 0.15 -0.17 -0.05 -1.58 1.20 0.00 0.00 173.24 172.79 2yrl s GLN 86 N -3.38 0.41 -0.30 5.44 0.74 -1.26 -3.10 119.66 118.21 2yrl s GLN 86 Ca 0.18 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 2yrl s GLN 86 Cb -0.02 -0.14 0.18 0.00 1.10 0.00 0.00 33.01 34.14 2yrl s GLN 86 CO 0.05 0.02 0.60 0.45 -0.55 0.00 0.00 175.29 175.86 2yrl s SER 87 N -1.31 -1.35 0.35 6.67 0.15 -0.96 -4.83 113.70 112.41 2yrl s SER 87 Ca -0.11 0.96 0.07 0.00 0.70 0.00 0.00 55.95 57.57 2yrl s SER 87 Cb -0.09 2.18 -0.01 0.00 -1.71 0.00 0.00 66.02 66.40 2yrl s SER 87 CO -0.00 -0.26 0.47 -0.94 1.20 0.00 0.00 173.24 173.71 2yrl s SER 88 N 2.86 5.87 -0.03 5.45 1.04 -1.26 -0.41 113.70 127.23 2yrl s SER 88 Ca 0.18 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 2yrl s SER 88 Cb -0.15 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 64.86 2yrl s SER 88 CO -0.21 -0.47 0.06 0.54 0.98 0.00 0.00 173.24 174.14 2yrl s VAL 89 N -2.21 -0.03 -0.32 5.02 0.11 -0.99 -4.77 120.40 117.20 2yrl s VAL 89 Ca 0.46 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 59.35 2yrl s VAL 89 Cb -0.09 -0.10 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2yrl s VAL 89 CO 0.31 0.05 0.98 0.20 -3.33 0.00 0.00 175.10 173.31 2yrl s ASN 90 N 0.61 6.84 -0.43 3.54 0.01 -1.26 -3.25 114.94 120.99 2yrl s ASN 90 Ca -0.05 0.91 -0.08 0.00 -0.71 0.00 0.00 52.86 52.92 2yrl s ASN 90 Cb -0.07 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.19 2yrl s ASN 90 CO -0.02 -0.80 0.27 -0.69 -1.51 0.00 0.00 177.10 174.35 2yrl s VAL 91 N 3.43 4.11 -0.04 1.60 1.01 -0.57 -1.69 120.40 128.25 2yrl s VAL 91 Ca 0.41 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 2yrl s VAL 91 Cb -0.13 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2yrl s VAL 91 CO 0.15 -0.60 0.28 -0.63 0.00 0.00 0.00 175.10 174.30 2yrl s ILE 92 N 1.38 5.27 -0.23 2.22 1.01 0.95 -1.72 121.20 130.08 2yrl s ILE 92 Ca 0.04 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2yrl s ILE 92 Cb -0.24 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.72 2yrl s ILE 92 CO 0.01 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 2yrl s VAL 93 N -1.12 1.91 0.52 2.92 1.01 -1.09 -1.05 120.40 123.50 2yrl s VAL 93 Ca 0.22 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2yrl s VAL 93 Cb -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2yrl s VAL 93 CO 0.11 0.11 0.75 -0.54 0.00 0.00 0.00 175.10 175.52 2yrl s LYS 94 N 1.26 2.70 0.31 2.72 3.01 0.83 -3.78 119.74 126.79 2yrl s LYS 94 Ca -0.04 -0.68 -0.13 0.00 -1.01 0.00 0.00 55.97 54.11 2yrl s LYS 94 Cb -0.18 -2.50 -0.08 0.00 -1.01 0.00 0.00 37.83 34.06 2yrl s LYS 94 CO -0.07 -0.59 0.69 -1.21 0.51 0.00 0.00 175.35 174.68 2yrl s GLU 95 N -4.71 3.93 -0.40 1.68 2.02 -1.26 -2.40 118.70 117.57 2yrl s GLU 95 Ca 0.55 0.55 -0.27 0.00 0.02 0.00 0.00 54.97 55.82 2yrl s GLU 95 Cb -0.10 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 2yrl s GLU 95 CO 0.38 0.18 2.17 -2.00 0.02 0.00 0.00 175.26 176.01 2yrl s GLU 96 N -3.01 2.71 0.38 1.61 -6.30 -1.26 -4.63 118.70 108.20 2yrl s GLU 96 Ca 0.52 1.49 -0.21 0.00 -2.50 0.00 0.00 54.97 54.27 2yrl s GLU 96 Cb -0.10 -4.42 -0.15 0.00 0.00 0.00 0.00 34.13 29.45 2yrl s GLU 96 CO 0.19 -2.59 0.11 0.43 0.02 0.00 0.00 175.26 173.42 2yrl n SER 97 N 13.18 -2.69 0.00 -1.70 7.64 -1.26 -4.78 113.62 124.01 2yrl n SER 97 Ca 0.30 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2yrl n SER 97 Cb 0.50 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2yrl n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrl n GLY 98 N 2.25 2.31 3.58 0.23 0.00 -1.26 -5.08 105.19 107.22 2yrl n GLY 98 Ca 0.11 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2yrl n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 99 N -4.19 -1.41 0.12 1.61 0.04 -1.26 -5.10 135.00 124.81 2yrl s PRO 99 Ca 0.00 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 60.68 2yrl s PRO 99 Cb 0.00 -1.58 0.06 0.00 0.04 0.00 0.00 34.50 33.02 2yrl s PRO 99 CO 0.00 -3.82 0.56 0.45 0.04 0.00 0.00 177.00 174.23 2yrl s SER 100 N -3.95 -0.49 0.02 6.66 0.15 -1.26 -5.17 113.70 109.67 2yrl s SER 100 Ca 0.72 0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.42 2yrl s SER 100 Cb -0.09 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2yrl s SER 100 CO 0.56 -0.87 -0.06 -0.44 1.20 0.00 0.00 173.24 173.62 2yrl s SER 101 N -2.49 0.67 0.00 5.45 0.01 -1.26 -5.34 113.70 110.75 2yrl s SER 101 Ca -0.01 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2yrl s SER 101 Cb -0.00 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2yrl s SER 101 CO -0.09 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.08