#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrl n SER 2 N 0.00 2.39 -4.83 1.61 3.41 -1.26 -5.04 113.62 109.91 2yrl n SER 2 Ca 0.00 0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2yrl n SER 2 Cb 0.00 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 2yrl n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yrl s SER 3 N -4.82 6.97 -0.15 4.04 1.04 -1.26 -5.02 113.70 114.49 2yrl s SER 3 Ca -0.06 1.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 2yrl s SER 3 Cb 0.02 -2.38 -0.08 0.00 0.10 0.00 0.00 66.02 63.67 2yrl s SER 3 CO 0.10 0.01 -0.00 1.23 0.98 0.00 0.00 173.24 175.56 2yrl h GLY 4 N 3.27 0.00 -5.01 7.32 0.00 -2.06 -3.45 103.07 103.14 2yrl h GLY 4 Ca -0.48 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.29 2yrl h GLY 4 CO 0.65 0.00 0.84 -0.56 0.00 0.00 0.00 176.54 177.48 2yrl s SER 5 N -6.02 6.95 0.01 0.19 0.01 -1.26 -5.02 113.70 108.56 2yrl s SER 5 Ca -0.17 1.80 0.08 0.00 1.31 0.00 0.00 55.95 58.98 2yrl s SER 5 Cb 0.02 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2yrl s SER 5 CO 0.31 -0.71 -0.25 -0.44 0.41 0.00 0.00 173.24 172.56 2yrl s SER 6 N 1.89 3.19 0.00 2.44 0.01 -1.26 -4.86 113.70 115.12 2yrl s SER 6 Ca 0.57 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2yrl s SER 6 Cb -0.24 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.63 2yrl s SER 6 CO 0.19 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2yrl n GLY 7 N 2.10 0.49 2.39 3.44 0.00 -1.26 -5.01 105.19 107.34 2yrl n GLY 7 Ca -0.16 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2yrl n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yrl n GLN 8 N -0.73 3.00 -4.04 1.61 3.00 -1.26 -4.97 117.38 114.00 2yrl n GLN 8 Ca 0.00 -3.67 -0.11 0.00 -0.01 0.00 0.00 57.00 53.20 2yrl n GLN 8 Cb 0.30 -2.28 -0.11 0.00 0.00 0.00 0.00 30.24 28.15 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2yrl s ALA 9 N -3.79 0.42 -0.04 -1.58 0.00 -1.26 -4.57 121.76 110.93 2yrl s ALA 9 Ca 0.57 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 2yrl s ALA 9 Cb 0.46 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.70 2yrl s ALA 9 CO -0.10 -0.09 0.04 0.34 0.00 0.00 0.00 175.76 175.96 2yrl s ASP 10 N -1.62 0.92 -0.53 0.00 -1.08 -1.26 -4.67 116.67 108.43 2yrl s ASP 10 Ca -0.11 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 51.98 2yrl s ASP 10 Cb -0.09 -0.17 0.52 0.00 -1.46 0.00 0.00 42.92 41.72 2yrl s ASP 10 CO -0.01 -0.21 1.86 0.00 0.52 0.00 0.00 175.17 177.34 2yrl n ALA 11 N 4.96 5.80 -1.01 3.66 0.00 -1.26 -4.30 120.51 128.36 2yrl n ALA 11 Ca -0.10 -3.30 0.12 0.00 0.00 0.00 0.00 53.44 50.15 2yrl n ALA 11 Cb 0.50 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.99 -3.09 3.63 0.00 0.00 -1.26 -4.72 105.19 98.76 2yrl n GLY 12 Ca 0.57 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2yrl n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 13 N -3.81 -0.56 0.44 1.61 0.04 -1.26 -4.85 135.00 126.61 2yrl s PRO 13 Ca 0.00 0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.01 2yrl s PRO 13 Cb 0.00 -1.65 -0.15 0.00 0.04 0.00 0.00 34.50 32.74 2yrl s PRO 13 CO 0.00 -3.32 0.09 -0.40 0.04 0.00 0.00 177.00 173.41 2yrl n ASP 14 N -4.53 -2.84 -4.22 6.66 5.75 -1.26 -4.84 116.55 111.26 2yrl n ASP 14 Ca 0.10 0.78 -0.32 0.00 -0.01 0.00 0.00 54.79 55.33 2yrl n ASP 14 Cb 0.59 -0.90 -0.17 0.00 -1.03 0.00 0.00 41.12 39.60 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 -1.09 3.07 -0.21 0.11 -0.14 0.09 -5.00 119.74 116.58 2yrl s LYS 15 Ca 0.59 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 54.33 2yrl s LYS 15 Cb -0.59 -2.35 0.06 0.00 -1.68 0.00 0.00 37.83 33.27 2yrl s LYS 15 CO 0.63 0.15 -0.02 -2.00 -0.76 0.00 0.00 175.35 173.35 2yrl s GLU 16 N 0.41 1.22 0.11 1.68 2.12 -1.26 -0.54 118.70 122.44 2yrl s GLU 16 Ca -0.17 -0.68 0.06 0.00 0.36 0.00 0.00 54.97 54.54 2yrl s GLU 16 Cb -0.17 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 2yrl s GLU 16 CO 0.07 -0.58 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.68 2yrl s LEU 17 N 1.61 3.33 -0.13 2.70 1.43 0.66 -4.99 118.68 123.30 2yrl s LEU 17 Ca -0.03 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2yrl s LEU 17 Cb -0.17 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.03 2yrl s LEU 17 CO -0.07 0.16 0.07 -0.89 0.23 0.00 0.00 176.35 175.85 2yrl s THR 18 N -1.36 0.05 0.83 5.49 2.01 -1.26 -1.00 115.64 120.40 2yrl s THR 18 Ca 0.25 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 2yrl s THR 18 Cb -0.11 -0.54 -0.14 0.00 0.01 0.00 0.00 72.50 71.72 2yrl s THR 18 CO 0.17 -0.11 -0.63 0.18 -0.69 0.00 0.00 174.62 173.54 2yrl n LEU 19 N 5.24 -5.14 0.00 4.42 7.99 -0.65 -2.56 117.00 126.29 2yrl n LEU 19 Ca -0.06 0.24 0.08 0.00 -0.01 0.00 0.00 56.01 56.25 2yrl n LEU 19 Cb 0.49 -0.70 0.42 0.00 -0.11 0.00 0.00 43.42 43.52 2yrl n LEU 19 CO 0.10 -5.31 0.68 -0.81 -1.51 0.00 0.00 177.39 170.53 2yrl n PRO 20 N 2.12 0.38 -1.53 3.23 -0.04 -1.26 -3.81 135.00 134.08 2yrl n PRO 20 Ca -0.00 0.06 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 2yrl n PRO 20 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.11 -0.05 -1.72 0.52 0.31 -1.06 -4.76 118.33 110.46 2yrl n VAL 21 Ca 0.10 -0.46 -0.20 0.00 -0.01 0.00 0.00 64.34 63.77 2yrl n VAL 21 Cb 0.08 -1.74 0.08 0.00 -0.91 0.00 0.00 33.84 31.35 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 13.53 4.79 -3.68 4.52 5.68 -1.26 -4.31 116.55 135.82 2yrl n ASP 22 Ca 0.50 -3.78 -0.13 0.00 -0.50 0.00 0.00 54.79 50.89 2yrl n ASP 22 Cb 0.32 -0.56 -0.08 0.00 -1.14 0.00 0.00 41.12 39.66 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 -2.96 -0.63 0.06 -1.12 1.04 -1.26 -2.65 113.70 106.18 2yrl s SER 23 Ca 0.52 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 58.08 2yrl s SER 23 Cb 0.43 1.16 -0.02 0.00 0.10 0.00 0.00 66.02 67.69 2yrl s SER 23 CO 0.01 -0.20 0.06 0.28 0.98 0.00 0.00 173.24 174.37 2yrl s THR 24 N 0.53 0.17 -0.09 2.02 -1.32 -1.10 -4.99 115.64 110.87 2yrl s THR 24 Ca -0.02 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2yrl s THR 24 Cb -0.04 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.64 2yrl s THR 24 CO -0.02 -0.79 -0.07 0.42 -2.21 0.00 0.00 174.62 171.94 2yrl s THR 25 N -3.50 3.67 -0.55 5.08 -4.23 -1.26 -1.84 115.64 113.00 2yrl s THR 25 Ca 0.03 -0.48 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 2yrl s THR 25 Cb 0.04 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.51 2yrl s THR 25 CO -0.09 0.57 0.32 -0.76 -0.54 0.00 0.00 174.62 174.13 2yrl s LEU 26 N -0.50 4.02 -0.21 4.79 1.43 0.20 -4.99 118.68 123.42 2yrl s LEU 26 Ca 0.07 -3.18 -0.29 0.00 -1.03 0.00 0.00 54.13 49.71 2yrl s LEU 26 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2yrl s LEU 26 CO 0.02 -0.19 1.05 1.51 0.23 0.00 0.00 176.35 178.97 2yrl s ASP 27 N -0.48 7.11 0.00 2.29 -4.77 -1.26 -2.83 116.67 116.73 2yrl s ASP 27 Ca 0.20 1.42 0.23 0.00 -3.30 0.00 0.00 52.55 51.10 2yrl s ASP 27 Cb -0.18 -2.54 0.50 0.00 -1.09 0.00 0.00 42.92 39.60 2yrl s ASP 27 CO -0.05 -0.65 1.43 0.61 0.70 0.00 0.00 175.17 177.21 2yrl n GLY 28 N 3.31 1.18 0.24 2.12 0.00 0.70 -4.13 105.19 108.62 2yrl n GLY 28 Ca 0.12 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 2yrl n GLY 28 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yrl h SER 29 N 3.85 0.93 -1.08 1.61 0.87 -1.81 -3.07 113.55 114.84 2yrl h SER 29 Ca 0.00 -0.51 0.31 0.00 -1.23 0.00 0.00 61.79 60.37 2yrl h SER 29 Cb 0.84 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2yrl h SER 29 CO 0.00 1.26 1.24 0.29 -0.53 0.00 0.00 176.83 179.08 2yrl n LYS 30 N -4.08 0.01 -1.57 2.24 5.02 -1.26 -4.47 118.16 114.04 2yrl n LYS 30 Ca -0.04 1.02 -0.52 0.00 -2.02 0.00 0.00 58.31 56.76 2yrl n LYS 30 Cb 0.57 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 2yrl n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2yrl n SER 31 N -3.27 1.31 -0.32 4.39 2.88 -1.16 -4.78 113.62 112.67 2yrl n SER 31 Ca 0.24 1.13 0.25 0.00 -1.33 0.00 0.00 58.87 59.16 2yrl n SER 31 Cb 1.56 -1.16 0.46 0.00 -0.75 0.00 0.00 64.21 64.32 2yrl n SER 31 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrl n SER 32 N 2.25 0.17 -4.31 -3.46 3.41 -1.26 -2.46 113.62 107.95 2yrl n SER 32 Ca 0.18 1.62 -0.43 0.00 -0.26 0.00 0.00 58.87 59.98 2yrl n SER 32 Cb 0.20 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2yrl n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yrl n ASP 33 N -5.29 4.84 -0.03 4.04 9.92 -1.26 -4.63 116.55 124.14 2yrl n ASP 33 Ca 0.31 -2.94 -0.17 0.00 -0.53 0.00 0.00 54.79 51.46 2yrl n ASP 33 Cb 1.06 -1.65 -0.14 0.00 -0.64 0.00 0.00 41.12 39.75 2yrl n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2yrl n ASP 34 N 6.70 1.62 0.06 -2.24 5.75 -1.03 -4.36 116.55 123.06 2yrl n ASP 34 Ca 0.45 0.18 -0.21 0.00 -0.01 0.00 0.00 54.79 55.20 2yrl n ASP 34 Cb 0.43 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.97 2yrl n ASP 34 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2yrl h GLN 35 N 0.04 0.67 -3.54 0.11 4.20 -1.90 -3.38 115.11 111.31 2yrl h GLN 35 Ca -0.43 -0.78 -0.79 0.00 0.06 0.00 0.00 58.65 56.71 2yrl h GLN 35 Cb 2.03 0.23 -0.29 0.00 0.30 0.00 0.00 27.48 29.75 2yrl h GLN 35 CO 0.05 1.34 0.39 0.15 -0.67 0.00 0.00 178.83 180.09 2yrl s LYS 36 N -3.20 4.10 -0.27 1.46 1.02 -1.26 -4.95 119.74 116.63 2yrl s LYS 36 Ca -0.10 -3.23 -0.10 0.00 0.02 0.00 0.00 55.97 52.57 2yrl s LYS 36 Cb 0.06 -4.49 0.12 0.00 -0.52 0.00 0.00 37.83 33.00 2yrl s LYS 36 CO 0.93 -1.24 0.60 -1.50 -0.92 0.00 0.00 175.35 173.21 2yrl s ILE 37 N -1.27 -0.82 -0.15 2.17 1.10 -1.26 -4.67 121.20 116.30 2yrl s ILE 37 Ca 0.30 0.04 0.19 0.00 -0.51 0.00 0.00 60.65 60.67 2yrl s ILE 37 Cb -0.10 -0.92 0.45 0.00 0.15 0.00 0.00 42.46 42.04 2yrl s ILE 37 CO -0.09 0.02 1.17 2.30 -2.11 0.00 0.00 174.94 176.23 2yrl n ILE 38 N 5.32 1.18 -3.64 2.00 -5.35 -1.20 -5.04 119.36 112.63 2yrl n ILE 38 Ca -0.12 -2.43 -0.09 0.00 -0.27 0.00 0.00 62.75 59.83 2yrl n ILE 38 Cb 0.50 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.79 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 -2.93 -0.87 -0.07 7.28 0.01 -1.25 -4.92 113.70 110.95 2yrl s SER 39 Ca 0.36 1.47 -0.05 0.00 1.31 0.00 0.00 55.95 59.04 2yrl s SER 39 Cb 0.37 1.41 0.03 0.00 0.21 0.00 0.00 66.02 68.04 2yrl s SER 39 CO -0.09 -0.24 0.18 -0.31 0.41 0.00 0.00 173.24 173.19 2yrl s TYR 40 N 1.19 -0.21 -0.07 2.43 2.02 -1.26 -3.49 117.35 117.96 2yrl s TYR 40 Ca -0.06 0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 57.11 2yrl s TYR 40 Cb -0.05 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.56 2yrl s TYR 40 CO -0.13 -0.13 0.17 -1.17 -1.57 0.00 0.00 175.55 172.72 2yrl s LEU 41 N 0.56 1.12 -0.19 -1.29 2.96 -0.88 -4.18 118.68 116.78 2yrl s LEU 41 Ca -0.04 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2yrl s LEU 41 Cb -0.05 0.53 0.05 0.00 0.50 0.00 0.00 46.19 47.22 2yrl s LEU 41 CO -0.03 -0.09 -0.00 0.26 -1.32 0.00 0.00 176.35 175.17 2yrl s TRP 42 N 0.47 1.39 0.02 5.38 0.52 -0.88 -2.75 118.94 123.09 2yrl s TRP 42 Ca -0.03 -1.02 -0.00 0.00 0.02 0.00 0.00 56.10 55.07 2yrl s TRP 42 Cb -0.05 -1.17 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 2yrl s TRP 42 CO -0.02 -0.62 -0.02 -1.21 0.02 0.00 0.00 176.95 175.10 2yrl s GLU 43 N 1.73 0.34 -0.34 4.98 2.02 -1.17 -4.79 118.70 121.47 2yrl s GLU 43 Ca -0.01 -0.66 -0.24 0.00 0.02 0.00 0.00 54.97 54.08 2yrl s GLU 43 Cb -0.17 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.19 2yrl s GLU 43 CO -0.07 -0.06 0.81 0.21 0.02 0.00 0.00 175.26 176.17 2yrl s LYS 44 N -1.69 3.86 -0.09 1.61 2.20 -1.26 -1.15 119.74 123.22 2yrl s LYS 44 Ca -0.14 0.49 -0.17 0.00 -0.36 0.00 0.00 55.97 55.79 2yrl s LYS 44 Cb -0.08 -3.77 -0.13 0.00 -1.51 0.00 0.00 37.83 32.33 2yrl s LYS 44 CO -0.02 -0.79 0.56 1.79 -0.36 0.00 0.00 175.35 176.53 2yrl h THR 45 N 5.70 0.82 -0.72 3.43 1.35 0.23 -3.48 112.91 120.24 2yrl h THR 45 Ca -0.24 -1.42 -0.66 0.00 -0.55 0.00 0.00 66.41 63.53 2yrl h THR 45 Cb 1.09 1.49 -0.13 0.00 -1.73 0.00 0.00 68.15 68.88 2yrl h THR 45 CO 0.91 0.26 -0.51 -1.10 -0.25 0.00 0.00 175.52 174.83 2yrl s GLN 46 N -2.47 2.16 0.00 4.72 -0.21 -0.94 -4.99 119.66 117.93 2yrl s GLN 46 Ca -0.10 -2.38 0.00 0.00 0.02 0.00 0.00 55.36 52.90 2yrl s GLN 46 Cb -0.01 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.65 2yrl s GLN 46 CO 0.38 -0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2yrl n GLY 47 N -1.21 1.35 3.72 3.09 0.00 -1.26 -2.74 105.19 108.14 2yrl n GLY 47 Ca -0.17 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.98 4.35 0.71 1.61 0.04 -1.26 -5.00 135.00 133.47 2yrl s PRO 48 Ca 0.00 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 2yrl s PRO 48 Cb 0.00 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.32 2yrl s PRO 48 CO 0.00 -0.37 1.13 -0.51 0.04 0.00 0.00 177.00 177.29 2yrl s ASP 49 N 0.92 4.64 0.00 6.66 1.01 -1.26 -4.39 116.67 124.25 2yrl s ASP 49 Ca 0.62 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.93 2yrl s ASP 49 Cb -0.36 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.02 2yrl s ASP 49 CO 0.32 -1.95 0.00 0.61 0.21 0.00 0.00 175.17 174.36 2yrl n GLY 50 N -0.41 3.49 3.06 0.21 0.00 -1.26 -5.12 105.19 105.16 2yrl n GLY 50 Ca 0.11 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 -4.72 1.61 0.24 -1.26 -4.99 118.33 109.21 2yrl n VAL 51 Ca 0.00 -0.42 -0.25 0.00 -2.04 0.00 0.00 64.34 61.63 2yrl n VAL 51 Cb 0.00 -0.09 -0.16 0.00 -1.47 0.00 0.00 33.84 32.12 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 -2.23 1.72 -0.21 7.34 -1.52 -0.04 -4.97 119.66 119.75 2yrl s GLN 52 Ca 0.42 -0.52 -0.05 0.00 -1.95 0.00 0.00 55.36 53.26 2yrl s GLN 52 Cb -0.16 -1.46 -0.02 0.00 -0.22 0.00 0.00 33.01 31.15 2yrl s GLN 52 CO 0.79 0.16 0.01 -0.51 -0.25 0.00 0.00 175.29 175.49 2yrl s LEU 53 N 0.27 3.24 -0.00 2.90 1.43 -1.26 -0.26 118.68 125.00 2yrl s LEU 53 Ca -0.08 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2yrl s LEU 53 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2yrl s LEU 53 CO 0.03 0.04 0.14 -0.70 0.23 0.00 0.00 176.35 176.08 2yrl s GLU 54 N 1.15 3.27 -1.52 1.70 -6.30 0.76 -4.37 118.70 113.39 2yrl s GLU 54 Ca 0.03 -0.40 -0.02 0.00 -2.50 0.00 0.00 54.97 52.08 2yrl s GLU 54 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 34.13 31.00 2yrl s GLU 54 CO 0.01 0.66 0.16 0.09 0.02 0.00 0.00 175.26 176.20 2yrl n ASN 55 N 1.03 -5.30 -0.23 -1.70 3.02 -1.26 -1.95 115.26 108.87 2yrl n ASN 55 Ca -0.12 -0.04 0.21 0.00 -0.03 0.00 0.00 54.58 54.60 2yrl n ASN 55 Cb 0.53 -4.39 0.55 0.00 -0.61 0.00 0.00 39.78 35.85 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 1.00 2.32 -0.36 5.41 0.00 -1.84 0.13 119.26 125.92 2yrl h ALA 56 Ca -0.45 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 2yrl h ALA 56 Cb 1.32 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 2yrl h ALA 56 CO 0.52 -0.60 0.28 0.09 0.00 0.00 0.00 179.25 179.53 2yrl n ASN 57 N -4.48 4.77 -3.96 0.00 5.03 -1.26 -2.07 115.26 113.29 2yrl n ASN 57 Ca 0.19 -2.75 -0.08 0.00 0.87 0.00 0.00 54.58 52.82 2yrl n ASN 57 Cb 0.75 -0.86 -0.09 0.00 -1.02 0.00 0.00 39.78 38.57 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2yrl s SER 58 N 0.41 0.28 0.43 6.41 0.01 0.47 -4.80 113.70 116.90 2yrl s SER 58 Ca 0.22 -0.76 0.15 0.00 1.31 0.00 0.00 55.95 56.86 2yrl s SER 58 Cb 0.18 0.26 1.03 0.00 0.21 0.00 0.00 66.02 67.70 2yrl s SER 58 CO 0.02 -0.63 1.95 0.28 0.41 0.00 0.00 173.24 175.26 2yrl h SER 59 N 3.10 0.39 -3.41 2.44 0.02 -1.88 -3.39 113.55 110.81 2yrl h SER 59 Ca -0.34 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 59.98 2yrl h SER 59 Cb 1.17 -0.06 -0.25 0.00 0.14 0.00 0.00 62.40 63.39 2yrl h SER 59 CO 0.59 0.22 -0.70 -0.69 -1.14 0.00 0.00 176.83 175.11 2yrl s VAL 60 N -5.41 3.61 0.20 2.27 1.01 -1.26 -0.22 120.40 120.61 2yrl s VAL 60 Ca -0.08 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.58 2yrl s VAL 60 Cb 0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2yrl s VAL 60 CO 0.76 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 176.09 2yrl s ALA 61 N 1.18 2.36 -0.07 5.51 0.00 -1.13 -4.69 121.76 124.91 2yrl s ALA 61 Ca 0.02 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.36 2yrl s ALA 61 Cb -0.14 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2yrl s ALA 61 CO -0.00 0.31 -0.10 0.99 0.00 0.00 0.00 175.76 176.96 2yrl s THR 62 N -2.07 1.00 -0.33 0.00 2.01 -0.82 -0.63 115.64 114.81 2yrl s THR 62 Ca 0.21 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 2yrl s THR 62 Cb -0.06 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2yrl s THR 62 CO 0.10 0.33 0.17 -0.69 -0.69 0.00 0.00 174.62 173.84 2yrl s VAL 63 N 0.91 4.64 0.30 3.82 1.01 -0.77 -0.17 120.40 130.14 2yrl s VAL 63 Ca -0.10 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2yrl s VAL 63 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2yrl s VAL 63 CO 0.01 -0.02 0.14 0.42 0.00 0.00 0.00 175.10 175.65 2yrl s THR 64 N 1.61 3.54 -0.35 3.92 -4.23 0.64 -2.70 115.64 118.06 2yrl s THR 64 Ca 0.04 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2yrl s THR 64 Cb -0.18 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2yrl s THR 64 CO 0.07 -0.27 0.31 0.61 -0.54 0.00 0.00 174.62 174.79 2yrl n GLY 65 N -1.12 0.53 3.94 3.99 0.00 -1.08 -0.86 105.19 110.58 2yrl n GLY 65 Ca -0.05 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.70 4.02 0.30 0.99 1.43 -1.23 -4.20 118.68 117.29 2yrl s LEU 66 Ca 0.14 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.53 2yrl s LEU 66 Cb -0.06 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.87 2yrl s LEU 66 CO 0.19 -0.29 0.66 0.00 0.23 0.00 0.00 176.35 177.14 2yrl s GLN 67 N -4.31 1.85 -0.42 1.70 -2.07 -1.26 -4.78 119.66 110.38 2yrl s GLN 67 Ca 0.40 -1.22 -0.41 0.00 -1.82 0.00 0.00 55.36 52.31 2yrl s GLN 67 Cb -0.10 0.57 -0.16 0.00 -1.09 0.00 0.00 33.01 32.23 2yrl s GLN 67 CO 0.36 -0.83 2.02 0.28 -1.32 0.00 0.00 175.29 175.80 2yrl n VAL 68 N -0.47 0.11 -3.33 3.63 0.31 -1.26 -4.65 118.33 112.67 2yrl n VAL 68 Ca -0.04 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2yrl n VAL 68 Cb 0.60 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 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 6.23 -1.50 3.56 2.92 0.00 -1.21 -5.00 105.19 110.19 2yrl n GLY 69 Ca 0.43 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.83 3.49 -0.05 2.61 2.01 -1.26 -2.64 115.64 116.97 2yrl s THR 70 Ca 0.00 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 2yrl s THR 70 Cb 0.00 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.08 2yrl s THR 70 CO 0.00 0.48 0.06 -0.31 -0.69 0.00 0.00 174.62 174.16 2yrl s TYR 71 N -0.89 0.07 -0.36 4.92 1.51 -0.99 -4.04 117.35 117.57 2yrl s TYR 71 Ca 0.15 0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 56.36 2yrl s TYR 71 Cb -0.11 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.29 2yrl s TYR 71 CO 0.04 -0.20 0.15 0.08 -1.11 0.00 0.00 175.55 174.51 2yrl s VAL 72 N 2.17 4.13 -0.20 0.71 1.01 -1.11 -1.94 120.40 125.18 2yrl s VAL 72 Ca 0.05 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2yrl s VAL 72 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2yrl s VAL 72 CO -0.03 -0.22 0.00 -0.36 0.00 0.00 0.00 175.10 174.49 2yrl s PHE 73 N 1.47 3.06 -0.11 5.22 0.40 -1.20 0.95 117.98 127.76 2yrl s PHE 73 Ca -0.00 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 2yrl s PHE 73 Cb -0.19 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2yrl s PHE 73 CO 0.04 -0.19 0.25 0.99 0.70 0.00 0.00 175.22 177.01 2yrl s THR 74 N 0.90 5.32 -0.42 0.64 2.01 -0.30 -1.98 115.64 121.81 2yrl s THR 74 Ca 0.01 0.46 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 2yrl s THR 74 Cb -0.14 -3.55 0.10 0.00 0.01 0.00 0.00 72.50 68.92 2yrl s THR 74 CO 0.02 0.54 0.24 -0.22 -0.69 0.00 0.00 174.62 174.50 2yrl s LEU 75 N -0.55 5.22 -0.29 4.42 2.96 0.13 -3.06 118.68 127.51 2yrl s LEU 75 Ca 0.17 -1.80 -0.12 0.00 -0.22 0.00 0.00 54.13 52.16 2yrl s LEU 75 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2yrl s LEU 75 CO 0.06 -0.55 0.24 -0.89 -1.32 0.00 0.00 176.35 173.88 2yrl s THR 76 N 1.28 5.28 0.20 3.68 2.01 -1.11 -2.43 115.64 124.54 2yrl s THR 76 Ca 0.05 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2yrl s THR 76 Cb -0.23 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2yrl s THR 76 CO -0.01 0.18 -0.11 0.68 -0.69 0.00 0.00 174.62 174.67 2yrl s VAL 77 N 1.82 1.45 0.22 3.82 -7.23 -1.26 -2.08 120.40 117.15 2yrl s VAL 77 Ca 0.08 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2yrl s VAL 77 Cb -0.16 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2yrl s VAL 77 CO 0.11 -0.59 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.71 2yrl s LYS 78 N -3.71 1.34 0.41 4.82 1.02 -1.23 -2.90 119.74 119.49 2yrl s LYS 78 Ca 0.22 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.58 2yrl s LYS 78 Cb 0.02 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 2yrl s LYS 78 CO 0.05 0.02 0.07 -0.25 -0.92 0.00 0.00 175.35 174.32 2yrl n ASP 79 N -0.41 2.23 -0.33 2.83 8.00 -1.20 -3.23 116.55 124.42 2yrl n ASP 79 Ca -0.07 -2.96 0.15 0.00 0.71 0.00 0.00 54.79 52.63 2yrl n ASP 79 Cb 0.63 0.62 0.37 0.00 -0.02 0.00 0.00 41.12 42.72 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2yrl h GLU 80 N 0.00 0.65 -1.07 -1.24 4.57 -1.95 0.32 114.58 115.86 2yrl h GLU 80 Ca -0.33 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.59 2yrl h GLU 80 Cb 1.11 -0.15 -0.13 0.00 -0.16 0.00 0.00 28.75 29.42 2yrl h GLU 80 CO 0.54 0.43 0.29 0.54 -1.18 0.00 0.00 179.01 179.62 2yrl n ARG 81 N -4.70 1.54 -2.71 1.92 1.74 -1.26 -4.82 116.66 108.36 2yrl n ARG 81 Ca 0.23 -1.27 -0.09 0.00 -0.77 0.00 0.00 57.85 55.95 2yrl n ARG 81 Cb 0.62 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 2yrl n ARG 81 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2yrl n ASN 82 N -0.11 -2.23 -4.61 0.55 6.94 0.11 -4.80 115.26 111.11 2yrl n ASN 82 Ca 0.25 0.19 -0.43 0.00 -0.02 0.00 0.00 54.58 54.58 2yrl n ASN 82 Cb 0.94 -1.97 -0.03 0.00 -2.36 0.00 0.00 39.78 36.36 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2yrl s LEU 83 N -5.50 3.63 -0.07 -4.53 1.43 -1.25 -4.75 118.68 107.64 2yrl s LEU 83 Ca 0.10 1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 54.45 2yrl s LEU 83 Cb -0.06 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2yrl s LEU 83 CO 0.12 -1.58 0.69 -1.58 0.23 0.00 0.00 176.35 174.23 2yrl s GLN 84 N 5.40 4.43 0.25 1.70 -0.44 -1.26 -3.27 119.66 126.47 2yrl s GLN 84 Ca 0.79 0.86 0.03 0.00 -2.50 0.00 0.00 55.36 54.54 2yrl s GLN 84 Cb -0.25 -3.45 -0.01 0.00 -1.64 0.00 0.00 33.01 27.66 2yrl s GLN 84 CO 0.33 0.06 0.09 0.43 0.50 0.00 0.00 175.29 176.70 2yrl n SER 85 N 3.81 1.05 -3.63 6.67 7.64 -1.14 -4.67 113.62 123.34 2yrl n SER 85 Ca -0.01 -2.33 -0.11 0.00 1.01 0.00 0.00 58.87 57.42 2yrl n SER 85 Cb 0.51 0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 64.29 2yrl n SER 85 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2yrl s GLN 86 N -2.95 0.77 -0.23 1.43 0.74 -1.26 -4.23 119.66 113.93 2yrl s GLN 86 Ca 0.13 1.05 -0.03 0.00 0.05 0.00 0.00 55.36 56.56 2yrl s GLN 86 Cb 0.01 0.30 0.12 0.00 1.10 0.00 0.00 33.01 34.54 2yrl s GLN 86 CO 0.09 -0.11 0.32 0.45 -0.55 0.00 0.00 175.29 175.49 2yrl s SER 87 N 0.82 0.64 0.05 6.67 0.15 -1.02 -4.73 113.70 116.29 2yrl s SER 87 Ca -0.03 0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 2yrl s SER 87 Cb -0.05 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 2yrl s SER 87 CO -0.07 -0.31 0.19 -0.44 1.20 0.00 0.00 173.24 173.81 2yrl s SER 88 N 2.47 6.25 0.01 5.45 0.01 -1.26 0.17 113.70 126.80 2yrl s SER 88 Ca 0.11 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.66 2yrl s SER 88 Cb -0.16 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2yrl s SER 88 CO -0.14 0.19 -0.15 0.54 0.41 0.00 0.00 173.24 174.08 2yrl s VAL 89 N -1.46 1.20 -0.32 3.43 0.11 -0.84 -4.84 120.40 117.67 2yrl s VAL 89 Ca 0.33 -0.81 -0.21 0.00 -2.93 0.00 0.00 61.98 58.36 2yrl s VAL 89 Cb -0.13 -1.03 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2yrl s VAL 89 CO 0.26 0.21 0.64 0.20 -3.33 0.00 0.00 175.10 173.08 2yrl s ASN 90 N -0.69 6.48 -0.39 3.54 0.01 -1.26 -3.24 114.94 119.38 2yrl s ASN 90 Ca 0.05 0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 52.49 2yrl s ASN 90 Cb -0.07 -2.33 0.08 0.00 0.41 0.00 0.00 41.25 39.34 2yrl s ASN 90 CO 0.00 -0.53 0.20 -0.69 -1.51 0.00 0.00 177.10 174.58 2yrl s VAL 91 N 2.67 3.76 -0.12 1.60 1.01 -0.82 -0.73 120.40 127.78 2yrl s VAL 91 Ca 0.25 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 2yrl s VAL 91 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2yrl s VAL 91 CO 0.13 -0.48 0.24 -0.63 0.00 0.00 0.00 175.10 174.36 2yrl s ILE 92 N 1.32 5.33 -0.09 2.22 1.01 0.30 -2.34 121.20 128.95 2yrl s ILE 92 Ca 0.03 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.16 2yrl s ILE 92 Cb -0.22 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 2yrl s ILE 92 CO -0.00 0.52 -0.24 -0.69 0.00 0.00 0.00 174.94 174.53 2yrl s VAL 93 N -0.39 2.02 0.42 2.92 1.01 -1.08 -0.24 120.40 125.05 2yrl s VAL 93 Ca 0.16 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2yrl s VAL 93 Cb -0.13 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 2yrl s VAL 93 CO 0.05 0.55 0.02 -0.54 0.00 0.00 0.00 175.10 175.19 2yrl s LYS 94 N 0.27 1.95 0.42 2.72 1.02 -0.17 -3.30 119.74 122.65 2yrl s LYS 94 Ca -0.16 -2.14 -0.09 0.00 0.02 0.00 0.00 55.97 53.60 2yrl s LYS 94 Cb -0.17 -1.42 -0.06 0.00 -0.52 0.00 0.00 37.83 35.66 2yrl s LYS 94 CO 0.08 -0.16 0.76 -1.21 -0.92 0.00 0.00 175.35 173.89 2yrl s GLU 95 N -3.78 3.70 -0.71 1.68 0.41 -1.26 -1.64 118.70 117.11 2yrl s GLU 95 Ca 0.28 0.37 -0.29 0.00 -0.41 0.00 0.00 54.97 54.92 2yrl s GLU 95 Cb 0.08 -2.40 -0.14 0.00 -1.78 0.00 0.00 34.13 29.88 2yrl s GLU 95 CO 0.14 -0.07 2.53 -1.91 -0.49 0.00 0.00 175.26 175.46 2yrl n GLU 96 N -1.53 0.55 -1.61 1.61 2.13 -1.25 -4.60 120.64 115.94 2yrl n GLU 96 Ca 0.02 0.02 -0.50 0.00 0.66 0.00 0.00 57.16 57.36 2yrl n GLU 96 Cb 0.54 -2.45 -0.05 0.00 0.27 0.00 0.00 31.44 29.76 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yrl n SER 97 N 12.83 1.99 0.00 4.31 2.88 -1.26 -4.67 113.62 129.70 2yrl n SER 97 Ca 0.51 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 59.17 2yrl n SER 97 Cb 0.28 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 2yrl n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrl n GLY 98 N 2.60 -0.42 3.59 0.46 0.00 -1.26 -5.02 105.19 105.13 2yrl n GLY 98 Ca 0.17 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.84 -1.26 0.03 1.61 0.04 -1.26 -5.10 135.00 126.23 2yrl s PRO 99 Ca 0.00 -0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.68 2yrl s PRO 99 Cb 0.00 -1.59 0.09 0.00 0.04 0.00 0.00 34.50 33.04 2yrl s PRO 99 CO 0.00 -3.73 0.89 0.45 0.04 0.00 0.00 177.00 174.65 2yrl s SER 100 N -3.91 -0.34 0.20 6.66 0.15 -1.26 -5.14 113.70 110.06 2yrl s SER 100 Ca 0.71 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 57.34 2yrl s SER 100 Cb -0.09 0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2yrl s SER 100 CO 0.56 -0.69 -0.10 -0.44 1.20 0.00 0.00 173.24 173.77 2yrl s SER 101 N -2.59 2.22 0.00 5.45 0.01 -1.26 -5.30 113.70 112.23 2yrl s SER 101 Ca 0.06 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2yrl s SER 101 Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2yrl s SER 101 CO -0.07 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.89