#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 -1.55 -4.75 1.61 7.64 -1.26 -4.89 113.62 110.43 2yrl n SER 2 Ca 0.00 -1.17 -0.37 0.00 1.01 0.00 0.00 58.87 58.35 2yrl n SER 2 Cb 0.00 -2.07 -0.07 0.00 -1.01 0.00 0.00 64.21 61.07 2yrl n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yrl s SER 3 N -3.60 6.53 0.00 6.43 0.01 -1.26 -4.97 113.70 116.85 2yrl s SER 3 Ca 0.56 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2yrl s SER 3 Cb -0.32 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2yrl s SER 3 CO 0.98 0.12 0.00 0.61 0.41 0.00 0.00 173.24 175.36 2yrl n GLY 4 N 3.11 -1.94 3.84 3.44 0.00 -1.26 -5.16 105.19 107.22 2yrl n GLY 4 Ca -0.11 0.90 -0.38 0.00 0.00 0.00 0.00 46.02 46.43 2yrl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrl s SER 5 N 0.00 6.79 -0.14 1.61 0.01 -1.26 -5.08 113.70 115.62 2yrl s SER 5 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2yrl s SER 5 Cb 0.00 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.01 2yrl s SER 5 CO 0.00 0.33 -0.14 -0.44 0.41 0.00 0.00 173.24 173.40 2yrl s SER 6 N -1.05 2.65 0.00 2.44 0.01 -1.26 -5.03 113.70 111.46 2yrl s SER 6 Ca 0.23 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2yrl s SER 6 Cb -0.16 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.91 2yrl s SER 6 CO 0.13 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2yrl n GLY 7 N 4.72 2.51 0.74 3.44 0.00 -1.26 -4.57 105.19 110.77 2yrl n GLY 7 Ca -0.17 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 1.41 0.03 -3.92 1.61 1.13 -1.22 -4.56 117.38 111.87 2yrl n GLN 8 Ca 0.00 0.01 -0.19 0.00 -1.94 0.00 0.00 57.00 54.89 2yrl n GLN 8 Cb 0.00 -0.28 -0.17 0.00 0.11 0.00 0.00 30.24 29.90 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yrl s ALA 9 N -2.26 0.44 -0.46 -1.58 0.00 -1.24 -3.98 121.76 112.68 2yrl s ALA 9 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2yrl s ALA 9 Cb 0.00 -0.44 0.16 0.00 0.00 0.00 0.00 23.12 22.84 2yrl s ALA 9 CO 0.03 -0.17 0.33 -0.51 0.00 0.00 0.00 175.76 175.44 2yrl s ASP 10 N 1.27 2.80 0.40 0.00 1.11 -1.26 -4.69 116.67 116.30 2yrl s ASP 10 Ca -0.06 -2.99 0.20 0.00 0.18 0.00 0.00 52.55 49.88 2yrl s ASP 10 Cb -0.13 -0.79 1.16 0.00 1.07 0.00 0.00 42.92 44.22 2yrl s ASP 10 CO -0.02 -0.20 1.75 0.00 1.18 0.00 0.00 175.17 177.88 2yrl h ALA 11 N 6.04 2.31 0.00 5.23 0.00 -1.88 -3.41 119.26 127.55 2yrl h ALA 11 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2yrl h ALA 11 Cb 0.89 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2yrl h ALA 11 CO 0.45 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2yrl n GLY 12 N -1.48 2.94 3.68 0.00 0.00 -1.26 -4.53 105.19 104.54 2yrl n GLY 12 Ca 0.27 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.14 0.48 1.05 1.61 0.04 -1.26 -4.74 135.00 130.04 2yrl s PRO 13 Ca 0.00 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.42 2yrl s PRO 13 Cb 0.00 -1.74 0.07 0.00 0.04 0.00 0.00 34.50 32.87 2yrl s PRO 13 CO 0.00 -2.71 0.13 -3.47 0.04 0.00 0.00 177.00 171.00 2yrl n ASP 14 N -4.16 -2.34 -4.06 6.66 2.03 -1.26 -4.78 116.55 108.65 2yrl n ASP 14 Ca 0.05 0.07 -0.23 0.00 0.52 0.00 0.00 54.79 55.20 2yrl n ASP 14 Cb 0.57 -1.05 -0.16 0.00 -0.72 0.00 0.00 41.12 39.76 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2yrl s LYS 15 N -3.47 1.35 -0.27 -0.67 -0.14 0.04 -4.98 119.74 111.60 2yrl s LYS 15 Ca 0.56 -0.43 -0.01 0.00 -1.36 0.00 0.00 55.97 54.72 2yrl s LYS 15 Cb -0.15 -1.20 0.08 0.00 -1.68 0.00 0.00 37.83 34.88 2yrl s LYS 15 CO 0.67 0.16 0.06 -2.00 -0.76 0.00 0.00 175.35 173.48 2yrl s GLU 16 N 0.18 0.77 0.21 1.68 2.12 -1.25 0.06 118.70 122.46 2yrl s GLU 16 Ca -0.04 -0.85 0.06 0.00 0.36 0.00 0.00 54.97 54.49 2yrl s GLU 16 Cb -0.10 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 2yrl s GLU 16 CO 0.01 -0.84 0.21 -0.51 -0.54 0.00 0.00 175.26 173.59 2yrl s LEU 17 N 1.68 3.93 -0.09 2.70 1.43 -0.76 -5.00 118.68 122.57 2yrl s LEU 17 Ca 0.05 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2yrl s LEU 17 Cb -0.17 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.59 2yrl s LEU 17 CO -0.18 0.00 -0.02 -0.89 0.23 0.00 0.00 176.35 175.49 2yrl s THR 18 N -1.94 0.56 0.89 5.49 2.01 -1.26 -0.70 115.64 120.69 2yrl s THR 18 Ca 0.32 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 2yrl s THR 18 Cb -0.09 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 2yrl s THR 18 CO 0.25 0.26 -0.23 0.18 -0.69 0.00 0.00 174.62 174.40 2yrl n LEU 19 N 5.09 -3.33 0.00 4.42 7.99 0.56 -2.21 117.00 129.52 2yrl n LEU 19 Ca -0.09 0.33 0.07 0.00 -0.01 0.00 0.00 56.01 56.32 2yrl n LEU 19 Cb 0.50 -0.95 0.36 0.00 -0.11 0.00 0.00 43.42 43.22 2yrl n LEU 19 CO 0.12 -4.88 0.70 -0.81 -1.51 0.00 0.00 177.39 171.02 2yrl n PRO 20 N 0.86 0.17 -1.52 3.23 -0.04 -1.26 -4.30 135.00 132.14 2yrl n PRO 20 Ca 0.03 0.17 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 2yrl n PRO 20 Cb 0.53 -1.50 -0.12 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 -1.33 -0.03 -1.86 0.52 0.31 -0.94 -4.75 118.33 110.26 2yrl n VAL 21 Ca 0.06 -0.34 -0.27 0.00 -0.01 0.00 0.00 64.34 63.78 2yrl n VAL 21 Cb 0.13 -1.21 0.03 0.00 -0.91 0.00 0.00 33.84 31.88 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 12.04 5.58 -3.65 4.52 5.68 -1.26 -4.27 116.55 135.20 2yrl n ASP 22 Ca 0.56 -3.76 -0.12 0.00 -0.50 0.00 0.00 54.79 50.97 2yrl n ASP 22 Cb 0.23 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 39.64 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 -3.19 -0.76 0.27 -1.12 1.04 -1.26 -2.47 113.70 106.22 2yrl s SER 23 Ca 0.54 1.38 0.03 0.00 0.48 0.00 0.00 55.95 58.38 2yrl s SER 23 Cb 0.43 1.36 -0.04 0.00 0.10 0.00 0.00 66.02 67.88 2yrl s SER 23 CO 0.03 -0.23 0.19 0.28 0.98 0.00 0.00 173.24 174.48 2yrl s THR 24 N 0.71 0.08 -0.11 2.02 -1.32 -1.12 -5.02 115.64 110.90 2yrl s THR 24 Ca -0.03 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.48 2yrl s THR 24 Cb -0.05 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.45 2yrl s THR 24 CO -0.05 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 172.60 2yrl s THR 25 N -3.77 1.66 -0.75 5.08 -4.23 -1.26 -2.64 115.64 109.73 2yrl s THR 25 Ca 0.39 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 2yrl s THR 25 Cb 0.05 -1.49 0.19 0.00 1.34 0.00 0.00 72.50 72.60 2yrl s THR 25 CO 0.19 0.47 0.62 -0.76 -0.54 0.00 0.00 174.62 174.60 2yrl s LEU 26 N 0.77 5.85 -0.08 4.79 1.43 -0.08 -4.95 118.68 126.41 2yrl s LEU 26 Ca -0.11 -2.92 -0.18 0.00 -1.03 0.00 0.00 54.13 49.89 2yrl s LEU 26 Cb -0.16 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 2yrl s LEU 26 CO 0.01 -0.42 0.49 1.51 0.23 0.00 0.00 176.35 178.18 2yrl s ASP 27 N 1.13 6.75 -0.26 2.29 -4.77 -1.26 -1.94 116.67 118.61 2yrl s ASP 27 Ca 0.19 0.90 0.10 0.00 -3.30 0.00 0.00 52.55 50.44 2yrl s ASP 27 Cb -0.15 -2.30 0.45 0.00 -1.09 0.00 0.00 42.92 39.84 2yrl s ASP 27 CO -0.06 0.06 1.19 0.61 0.70 0.00 0.00 175.17 177.66 2yrl n GLY 28 N 2.95 5.55 0.22 2.12 0.00 -0.06 -4.71 105.19 111.24 2yrl n GLY 28 Ca -0.08 -2.16 0.09 0.00 0.00 0.00 0.00 46.02 43.86 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 1.92 0.00 -1.04 1.61 0.87 -1.89 -3.15 113.55 111.87 2yrl h SER 29 Ca 0.22 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.28 2yrl h SER 29 Cb 1.41 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.18 2yrl h SER 29 CO 0.52 0.26 0.49 0.29 -0.53 0.00 0.00 176.83 177.86 2yrl n LYS 30 N -3.52 2.33 -0.09 2.24 5.02 -1.26 -4.42 118.16 118.46 2yrl n LYS 30 Ca -0.00 -2.36 -0.22 0.00 -2.02 0.00 0.00 58.31 53.71 2yrl n LYS 30 Cb 0.42 -2.06 -0.12 0.00 -0.02 0.00 0.00 35.03 33.25 2yrl n LYS 30 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2yrl h SER 31 N 2.64 0.04 -3.40 4.39 0.02 -1.78 -3.38 113.55 112.08 2yrl h SER 31 Ca 0.40 -0.55 -0.43 0.00 -0.84 0.00 0.00 61.79 60.37 2yrl h SER 31 Cb 0.70 -0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.08 2yrl h SER 31 CO 0.95 1.52 -0.73 -0.94 -1.14 0.00 0.00 176.83 176.49 2yrl s SER 32 N -6.87 2.41 0.02 3.07 1.04 -1.26 -3.46 113.70 108.65 2yrl s SER 32 Ca -0.28 -1.00 -0.04 0.00 0.48 0.00 0.00 55.95 55.10 2yrl s SER 32 Cb 0.06 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2yrl s SER 32 CO 0.61 -0.19 -0.08 -0.67 0.98 0.00 0.00 173.24 173.88 2yrl n ASP 33 N -0.28 1.14 -0.09 7.02 -0.08 -1.26 -4.89 116.55 118.11 2yrl n ASP 33 Ca -0.09 0.16 -0.17 0.00 -1.51 0.00 0.00 54.79 53.19 2yrl n ASP 33 Cb 0.60 -0.40 -0.11 0.00 2.34 0.00 0.00 41.12 43.54 2yrl n ASP 33 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2yrl h ASP 34 N -0.24 0.00 -2.89 1.67 3.32 -1.92 -3.47 116.42 112.89 2yrl h ASP 34 Ca 0.00 -0.69 -0.42 0.00 0.02 0.00 0.00 57.03 55.95 2yrl h ASP 34 Cb 0.24 0.00 0.22 0.00 0.22 0.00 0.00 39.33 40.01 2yrl h ASP 34 CO 0.00 1.21 -0.25 0.00 -1.72 0.00 0.00 179.24 178.47 2yrl n GLN 35 N -4.53 -2.86 -4.15 3.56 6.02 -1.26 -5.04 117.38 109.12 2yrl n GLN 35 Ca -0.20 -0.82 -0.24 0.00 -0.01 0.00 0.00 57.00 55.73 2yrl n GLN 35 Cb 0.55 -2.01 -0.07 0.00 1.02 0.00 0.00 30.24 29.73 2yrl n GLN 35 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2yrl s LYS 36 N -4.29 2.27 -0.07 -1.09 1.02 -1.26 -4.92 119.74 111.41 2yrl s LYS 36 Ca 0.65 -1.67 -0.03 0.00 0.02 0.00 0.00 55.97 54.95 2yrl s LYS 36 Cb -0.20 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2yrl s LYS 36 CO 0.63 0.05 0.13 0.42 -0.92 0.00 0.00 175.35 175.67 2yrl s ILE 37 N -2.49 -0.17 -0.13 2.17 -1.09 -1.26 -4.12 121.20 114.11 2yrl s ILE 37 Ca 0.38 0.31 0.15 0.00 -2.23 0.00 0.00 60.65 59.26 2yrl s ILE 37 Cb -0.00 -0.24 0.35 0.00 -1.58 0.00 0.00 42.46 40.98 2yrl s ILE 37 CO 0.22 0.13 1.17 2.30 -1.23 0.00 0.00 174.94 177.53 2yrl n ILE 38 N 4.96 1.46 -3.67 2.92 -5.35 -1.13 -5.04 119.36 113.50 2yrl n ILE 38 Ca -0.12 -2.22 -0.14 0.00 -0.27 0.00 0.00 62.75 60.00 2yrl n ILE 38 Cb 0.50 0.09 -0.08 0.00 -1.74 0.00 0.00 39.64 38.41 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2yrl s SER 39 N -2.67 -0.52 -0.13 7.28 0.15 -1.26 -4.98 113.70 111.57 2yrl s SER 39 Ca 0.32 0.86 -0.08 0.00 0.70 0.00 0.00 55.95 57.75 2yrl s SER 39 Cb 0.31 0.88 0.05 0.00 -1.71 0.00 0.00 66.02 65.55 2yrl s SER 39 CO -0.06 -0.30 0.33 -0.31 1.20 0.00 0.00 173.24 174.10 2yrl s TYR 40 N -0.21 -0.45 -0.06 3.44 2.02 -1.26 -3.91 117.35 116.92 2yrl s TYR 40 Ca -0.04 1.01 -0.06 0.00 -0.37 0.00 0.00 57.07 57.61 2yrl s TYR 40 Cb -0.03 0.15 0.02 0.00 -0.40 0.00 0.00 41.96 41.70 2yrl s TYR 40 CO 0.03 -0.27 0.16 -1.17 -1.57 0.00 0.00 175.55 172.73 2yrl s LEU 41 N 1.12 1.35 -0.09 -1.29 2.96 -1.13 -3.97 118.68 117.61 2yrl s LEU 41 Ca -0.08 0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 2yrl s LEU 41 Cb -0.08 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.19 2yrl s LEU 41 CO -0.09 -0.06 -0.06 0.26 -1.32 0.00 0.00 176.35 175.08 2yrl s TRP 42 N 0.13 1.24 -0.04 5.38 0.52 -0.57 -2.57 118.94 123.03 2yrl s TRP 42 Ca -0.00 -0.55 -0.05 0.00 0.02 0.00 0.00 56.10 55.52 2yrl s TRP 42 Cb -0.02 -1.07 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 2yrl s TRP 42 CO -0.00 -0.42 0.14 -1.21 0.02 0.00 0.00 176.95 175.48 2yrl s GLU 43 N 1.58 0.22 -0.46 4.98 2.02 -1.17 -4.84 118.70 121.03 2yrl s GLU 43 Ca 0.01 0.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.81 2yrl s GLU 43 Cb -0.13 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.23 2yrl s GLU 43 CO -0.06 -0.04 1.02 0.21 0.02 0.00 0.00 175.26 176.42 2yrl s LYS 44 N -0.21 3.63 -0.05 1.61 2.20 -1.26 -1.22 119.74 124.44 2yrl s LYS 44 Ca -0.03 0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 2yrl s LYS 44 Cb -0.02 -3.91 -0.22 0.00 -1.51 0.00 0.00 37.83 32.17 2yrl s LYS 44 CO 0.00 -1.27 1.13 1.79 -0.36 0.00 0.00 175.35 176.64 2yrl h THR 45 N 6.13 1.50 -3.09 3.43 1.35 0.31 -3.47 112.91 119.06 2yrl h THR 45 Ca -0.23 -1.51 -0.43 0.00 -0.55 0.00 0.00 66.41 63.68 2yrl h THR 45 Cb 1.07 2.50 -0.14 0.00 -1.73 0.00 0.00 68.15 69.85 2yrl h THR 45 CO 1.07 0.40 -0.63 -1.10 -0.25 0.00 0.00 175.52 175.01 2yrl s GLN 46 N -3.67 1.53 0.00 4.72 -0.21 -1.07 -4.98 119.66 115.98 2yrl s GLN 46 Ca -0.17 -1.82 0.00 0.00 0.02 0.00 0.00 55.36 53.39 2yrl s GLN 46 Cb 0.01 -0.74 0.00 0.00 1.00 0.00 0.00 33.01 33.28 2yrl s GLN 46 CO 0.69 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 2yrl n GLY 47 N -0.58 2.55 3.61 3.09 0.00 -1.25 -1.30 105.19 111.31 2yrl n GLY 47 Ca -0.03 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.42 3.58 0.64 1.61 0.04 -1.25 -4.98 135.00 132.22 2yrl s PRO 48 Ca 0.00 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 2yrl s PRO 48 Cb 0.00 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 2yrl s PRO 48 CO 0.00 -1.56 1.30 -0.51 0.04 0.00 0.00 177.00 176.28 2yrl s ASP 49 N 4.93 4.65 0.00 6.66 1.01 -1.26 -4.40 116.67 128.26 2yrl s ASP 49 Ca 0.73 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.64 2yrl s ASP 49 Cb -0.22 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.09 2yrl s ASP 49 CO 0.32 -1.98 0.00 0.61 0.21 0.00 0.00 175.17 174.33 2yrl n GLY 50 N 0.89 1.36 3.73 0.21 0.00 -1.26 -5.14 105.19 104.98 2yrl n GLY 50 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2yrl n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yrl s VAL 51 N 0.00 2.88 -0.19 1.61 -7.23 -1.26 -4.93 120.40 111.28 2yrl s VAL 51 Ca 0.00 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 2yrl s VAL 51 Cb 0.00 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.26 2yrl s VAL 51 CO 0.00 -0.37 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.15 2yrl s GLN 52 N -4.87 3.02 -0.08 4.82 -1.52 -0.46 -4.93 119.66 115.65 2yrl s GLN 52 Ca 0.63 -0.82 -0.18 0.00 -1.95 0.00 0.00 55.36 53.04 2yrl s GLN 52 Cb -0.18 -2.66 -0.05 0.00 -0.22 0.00 0.00 33.01 29.90 2yrl s GLN 52 CO 0.57 -0.22 0.49 -0.51 -0.25 0.00 0.00 175.29 175.36 2yrl s LEU 53 N 1.32 4.33 -0.03 2.90 1.43 -1.26 -1.65 118.68 125.72 2yrl s LEU 53 Ca 0.05 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.12 2yrl s LEU 53 Cb -0.14 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 2yrl s LEU 53 CO -0.11 0.07 -0.25 -1.61 0.23 0.00 0.00 176.35 174.68 2yrl s GLU 54 N 0.21 2.15 -1.29 1.70 8.01 0.78 -4.70 118.70 125.56 2yrl s GLU 54 Ca 0.27 -0.89 -0.08 0.00 0.01 0.00 0.00 54.97 54.28 2yrl s GLU 54 Cb -0.16 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.67 2yrl s GLU 54 CO 0.12 0.49 1.13 0.09 0.01 0.00 0.00 175.26 177.10 2yrl n ASN 55 N 2.60 -5.73 0.22 -0.19 3.02 -1.26 -1.30 115.26 112.62 2yrl n ASN 55 Ca -0.16 -0.53 0.07 0.00 -0.03 0.00 0.00 54.58 53.93 2yrl n ASN 55 Cb 0.52 -4.90 0.51 0.00 -0.61 0.00 0.00 39.78 35.29 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 0.97 1.27 -0.41 5.41 0.00 -1.85 -2.59 119.26 122.07 2yrl h ALA 56 Ca -0.55 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 53.92 2yrl h ALA 56 Cb 1.35 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2yrl h ALA 56 CO 0.53 0.32 0.26 0.09 0.00 0.00 0.00 179.25 180.46 2yrl n ASN 57 N -3.79 3.30 -3.85 0.00 3.02 -1.26 -1.51 115.26 111.16 2yrl n ASN 57 Ca -0.01 -2.66 -0.24 0.00 -0.03 0.00 0.00 54.58 51.64 2yrl n ASN 57 Cb 0.35 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.80 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2yrl s SER 58 N 0.02 2.48 0.24 6.41 0.01 -0.98 -4.62 113.70 117.26 2yrl s SER 58 Ca 0.24 -1.72 -0.01 0.00 1.31 0.00 0.00 55.95 55.76 2yrl s SER 58 Cb 0.20 0.56 0.28 0.00 0.21 0.00 0.00 66.02 67.27 2yrl s SER 58 CO 0.05 -1.00 1.66 0.77 0.41 0.00 0.00 173.24 175.13 2yrl h SER 59 N 1.87 0.63 -3.44 2.44 4.64 -1.89 -3.41 113.55 114.39 2yrl h SER 59 Ca -0.32 -0.23 -0.65 0.00 -0.47 0.00 0.00 61.79 60.12 2yrl h SER 59 Cb 1.26 -0.17 -0.33 0.00 -0.31 0.00 0.00 62.40 62.85 2yrl h SER 59 CO 0.49 0.87 -0.87 -0.69 -0.87 0.00 0.00 176.83 175.77 2yrl s VAL 60 N -4.49 1.90 0.34 0.95 1.01 -1.26 -0.89 120.40 117.96 2yrl s VAL 60 Ca -0.08 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.06 2yrl s VAL 60 Cb 0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2yrl s VAL 60 CO 0.82 0.53 0.01 0.00 0.00 0.00 0.00 175.10 176.45 2yrl s ALA 61 N 0.33 3.19 -0.06 5.51 0.00 -0.82 -4.73 121.76 125.18 2yrl s ALA 61 Ca -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2yrl s ALA 61 Cb -0.17 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2yrl s ALA 61 CO 0.07 0.06 -0.03 0.99 0.00 0.00 0.00 175.76 176.86 2yrl s THR 62 N -2.53 0.54 -0.20 0.00 2.01 -0.42 -0.91 115.64 114.14 2yrl s THR 62 Ca 0.35 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 2yrl s THR 62 Cb 0.00 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 2yrl s THR 62 CO 0.19 0.25 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.65 2yrl s VAL 63 N 1.34 3.60 0.33 3.82 1.01 -1.08 -0.16 120.40 129.26 2yrl s VAL 63 Ca -0.04 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2yrl s VAL 63 Cb -0.13 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2yrl s VAL 63 CO -0.02 0.44 0.03 0.42 0.00 0.00 0.00 175.10 175.96 2yrl s THR 64 N 1.12 2.81 -0.50 3.92 -4.23 -0.66 -2.79 115.64 115.32 2yrl s THR 64 Ca 0.02 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2yrl s THR 64 Cb -0.15 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2yrl s THR 64 CO 0.00 -0.22 0.42 0.61 -0.54 0.00 0.00 174.62 174.89 2yrl n GLY 65 N -0.98 0.17 3.89 3.99 0.00 -1.03 -1.35 105.19 109.87 2yrl n GLY 65 Ca -0.04 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.72 4.16 0.09 0.99 1.43 -1.13 -4.07 118.68 116.42 2yrl s LEU 66 Ca 0.05 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2yrl s LEU 66 Cb -0.02 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2yrl s LEU 66 CO 0.30 -0.08 -0.07 -1.10 0.23 0.00 0.00 176.35 175.63 2yrl s GLN 67 N -3.00 0.77 -0.86 1.70 -0.21 -1.26 -4.81 119.66 111.99 2yrl s GLN 67 Ca 0.45 -1.22 -0.31 0.00 0.02 0.00 0.00 55.36 54.30 2yrl s GLN 67 Cb -0.11 -0.22 -0.19 0.00 1.00 0.00 0.00 33.01 33.49 2yrl s GLN 67 CO 0.24 -0.01 2.60 0.28 -2.12 0.00 0.00 175.29 176.29 2yrl n VAL 68 N 0.26 -0.01 -2.76 1.09 0.31 -1.26 -4.65 118.33 111.31 2yrl n VAL 68 Ca -0.14 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2yrl n VAL 68 Cb 0.60 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 6.47 -0.58 3.22 2.92 0.00 -1.24 -4.99 105.19 111.00 2yrl n GLY 69 Ca 0.59 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2yrl n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yrl s THR 70 N -3.12 1.67 -0.10 2.61 -4.23 -1.26 -2.11 115.64 109.10 2yrl s THR 70 Ca 0.00 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2yrl s THR 70 Cb 0.00 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.47 2yrl s THR 70 CO 0.00 0.47 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.19 2yrl s TYR 71 N -0.42 1.22 -0.45 3.99 1.51 -0.25 -3.93 117.35 119.02 2yrl s TYR 71 Ca 0.06 -0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 55.43 2yrl s TYR 71 Cb -0.09 -1.09 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 2yrl s TYR 71 CO -0.00 -0.45 0.34 0.08 -1.11 0.00 0.00 175.55 174.40 2yrl s VAL 72 N 1.79 4.93 -0.29 0.71 1.01 -0.42 -1.47 120.40 126.67 2yrl s VAL 72 Ca 0.05 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 2yrl s VAL 72 Cb -0.12 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2yrl s VAL 72 CO -0.07 -0.52 0.16 -0.36 0.00 0.00 0.00 175.10 174.30 2yrl s PHE 73 N 1.58 3.17 -0.18 5.22 0.08 -1.17 0.10 117.98 126.79 2yrl s PHE 73 Ca 0.04 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 2yrl s PHE 73 Cb -0.23 -2.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2yrl s PHE 73 CO 0.06 -0.33 0.20 0.99 -0.10 0.00 0.00 175.22 176.04 2yrl s THR 74 N 1.67 5.37 -0.12 0.64 2.01 -0.36 -2.39 115.64 122.47 2yrl s THR 74 Ca 0.06 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 2yrl s THR 74 Cb -0.16 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2yrl s THR 74 CO 0.08 0.43 0.10 -0.22 -0.69 0.00 0.00 174.62 174.31 2yrl s LEU 75 N 0.33 4.12 -0.23 4.42 2.96 0.55 -3.04 118.68 127.78 2yrl s LEU 75 Ca 0.12 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 2yrl s LEU 75 Cb -0.12 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2yrl s LEU 75 CO 0.01 0.38 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.49 2yrl s THR 76 N -0.86 1.39 0.25 3.68 2.01 -1.06 -2.26 115.64 118.79 2yrl s THR 76 Ca 0.14 -1.14 0.11 0.00 0.31 0.00 0.00 61.69 61.10 2yrl s THR 76 Cb -0.12 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 2yrl s THR 76 CO 0.03 -0.13 -0.12 0.68 -0.69 0.00 0.00 174.62 174.39 2yrl s VAL 77 N 1.46 2.90 0.10 3.82 -7.23 -1.26 -2.86 120.40 117.33 2yrl s VAL 77 Ca -0.05 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 2yrl s VAL 77 Cb -0.19 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2yrl s VAL 77 CO -0.07 -0.33 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.76 2yrl s LYS 78 N -3.41 0.87 0.49 4.82 1.02 -1.25 -2.74 119.74 119.53 2yrl s LYS 78 Ca 0.29 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 55.09 2yrl s LYS 78 Cb -0.06 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.72 2yrl s LYS 78 CO 0.16 0.07 0.01 -0.51 -0.92 0.00 0.00 175.35 174.16 2yrl s ASP 79 N -2.61 4.05 0.37 2.83 1.11 -1.22 -2.84 116.67 118.35 2yrl s ASP 79 Ca 0.08 -1.59 0.16 0.00 0.18 0.00 0.00 52.55 51.37 2yrl s ASP 79 Cb -0.01 0.33 1.05 0.00 1.07 0.00 0.00 42.92 45.35 2yrl s ASP 79 CO -0.00 -0.77 1.74 1.05 1.18 0.00 0.00 175.17 178.37 2yrl h GLU 80 N 1.45 0.42 -0.95 8.23 -0.00 -1.96 0.91 114.58 122.68 2yrl h GLU 80 Ca -0.44 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.36 58.82 2yrl h GLU 80 Cb 1.30 -0.10 -0.05 0.00 -0.00 0.00 0.00 28.75 29.91 2yrl h GLU 80 CO 0.75 0.28 0.10 0.54 -0.00 0.00 0.00 179.01 180.68 2yrl n ARG 81 N -4.73 1.68 -2.89 1.06 5.12 -1.26 -4.83 116.66 110.81 2yrl n ARG 81 Ca 0.27 -0.84 -0.15 0.00 -1.93 0.00 0.00 57.85 55.19 2yrl n ARG 81 Cb 0.87 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.66 2yrl n ARG 81 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2yrl n ASN 82 N 0.11 -3.13 -4.64 0.55 5.15 0.31 -4.83 115.26 108.78 2yrl n ASN 82 Ca 0.12 -0.03 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 2yrl n ASN 82 Cb 0.68 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 37.24 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yrl s LEU 83 N -5.89 4.10 -0.29 1.20 1.43 -1.24 -4.76 118.68 113.22 2yrl s LEU 83 Ca 0.19 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 2yrl s LEU 83 Cb -0.10 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2yrl s LEU 83 CO 0.23 -1.16 0.76 -1.58 0.23 0.00 0.00 176.35 174.84 2yrl s GLN 84 N 4.53 4.00 0.32 1.70 0.74 -1.26 -3.40 119.66 126.29 2yrl s GLN 84 Ca 0.77 0.60 0.01 0.00 0.05 0.00 0.00 55.36 56.79 2yrl s GLN 84 Cb -0.31 -3.71 0.01 0.00 1.10 0.00 0.00 33.01 30.10 2yrl s GLN 84 CO 0.31 -0.62 0.11 0.43 -0.55 0.00 0.00 175.29 174.96 2yrl n SER 85 N 6.10 2.53 -3.62 6.67 7.64 -1.11 -5.06 113.62 126.78 2yrl n SER 85 Ca 0.03 -2.28 -0.08 0.00 1.01 0.00 0.00 58.87 57.55 2yrl n SER 85 Cb 0.48 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.74 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 -3.24 0.41 -0.29 1.43 0.74 -1.26 -4.36 119.66 113.10 2yrl s GLN 86 Ca 0.08 0.28 -0.13 0.00 0.05 0.00 0.00 55.36 55.64 2yrl s GLN 86 Cb -0.01 0.20 0.13 0.00 1.10 0.00 0.00 33.01 34.43 2yrl s GLN 86 CO 0.05 -0.09 0.74 0.45 -0.55 0.00 0.00 175.29 175.89 2yrl s SER 87 N -0.45 -0.95 0.18 6.67 0.15 -0.96 -4.75 113.70 113.59 2yrl s SER 87 Ca 0.03 1.37 0.05 0.00 0.70 0.00 0.00 55.95 58.10 2yrl s SER 87 Cb -0.03 1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 66.15 2yrl s SER 87 CO -0.05 -0.20 0.14 -0.94 1.20 0.00 0.00 173.24 173.39 2yrl s SER 88 N 2.42 5.47 -0.01 5.45 1.04 -1.26 -0.33 113.70 126.47 2yrl s SER 88 Ca -0.07 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2yrl s SER 88 Cb -0.09 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2yrl s SER 88 CO -0.19 0.05 -0.04 0.54 0.98 0.00 0.00 173.24 174.59 2yrl s VAL 89 N -1.81 0.35 -0.31 5.02 0.11 -1.01 -4.82 120.40 117.94 2yrl s VAL 89 Ca 0.31 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 2yrl s VAL 89 Cb -0.10 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2yrl s VAL 89 CO 0.23 0.12 0.82 0.20 -3.33 0.00 0.00 175.10 173.14 2yrl s ASN 90 N 0.20 6.68 -0.37 3.54 -0.87 -1.26 -3.05 114.94 119.80 2yrl s ASN 90 Ca -0.02 0.67 -0.06 0.00 -1.57 0.00 0.00 52.86 51.87 2yrl s ASN 90 Cb -0.05 -2.42 0.06 0.00 -0.02 0.00 0.00 41.25 38.82 2yrl s ASN 90 CO -0.00 -0.65 0.16 -0.69 -2.57 0.00 0.00 177.10 173.34 2yrl s VAL 91 N 3.04 3.81 -0.12 1.60 1.01 -0.54 -0.78 120.40 128.41 2yrl s VAL 91 Ca 0.34 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 2yrl s VAL 91 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2yrl s VAL 91 CO 0.13 -0.34 0.12 -0.63 0.00 0.00 0.00 175.10 174.38 2yrl s ILE 92 N 1.37 5.33 -0.07 2.22 1.01 0.11 -1.09 121.20 130.08 2yrl s ILE 92 Ca 0.01 0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.85 2yrl s ILE 92 Cb -0.21 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 2yrl s ILE 92 CO 0.01 0.61 -0.23 -0.69 0.00 0.00 0.00 174.94 174.64 2yrl s VAL 93 N -0.91 1.94 0.12 2.92 1.01 -0.90 -1.82 120.40 122.76 2yrl s VAL 93 Ca 0.14 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.24 2yrl s VAL 93 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2yrl s VAL 93 CO 0.03 0.54 -0.25 -0.54 0.00 0.00 0.00 175.10 174.88 2yrl s LYS 94 N 0.08 1.32 0.76 2.72 3.01 0.13 -3.59 119.74 124.16 2yrl s LYS 94 Ca -0.10 -1.29 -0.08 0.00 -1.01 0.00 0.00 55.97 53.48 2yrl s LYS 94 Cb -0.15 -1.74 0.09 0.00 -1.01 0.00 0.00 37.83 35.02 2yrl s LYS 94 CO 0.05 0.41 1.09 -1.83 0.51 0.00 0.00 175.35 175.58 2yrl s GLU 95 N -2.02 1.87 0.33 1.68 -1.05 -1.26 -0.32 118.70 117.93 2yrl s GLU 95 Ca 0.12 -0.29 -0.23 0.00 -0.15 0.00 0.00 54.97 54.42 2yrl s GLU 95 Cb -0.10 -2.09 -0.10 0.00 -0.44 0.00 0.00 34.13 31.40 2yrl s GLU 95 CO 0.06 -1.50 0.89 -2.00 0.95 0.00 0.00 175.26 173.66 2yrl s GLU 96 N -5.40 4.41 0.06 -4.83 -6.30 -1.26 -4.49 118.70 100.89 2yrl s GLU 96 Ca 0.63 1.15 0.03 0.00 -2.50 0.00 0.00 54.97 54.29 2yrl s GLU 96 Cb -0.09 -2.65 -0.04 0.00 0.00 0.00 0.00 34.13 31.35 2yrl s GLU 96 CO 0.47 0.22 0.02 0.45 0.02 0.00 0.00 175.26 176.44 2yrl s SER 97 N -1.80 5.16 0.00 -1.70 0.15 -1.26 -5.06 113.70 109.20 2yrl s SER 97 Ca 0.52 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2yrl s SER 97 Cb -0.15 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2yrl s SER 97 CO 0.20 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2yrl n GLY 98 N 0.79 -0.54 3.56 9.45 0.00 -1.26 -5.05 105.19 112.15 2yrl n GLY 98 Ca -0.11 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.00 2.56 0.73 1.61 0.04 -1.26 -4.96 135.00 131.71 2yrl s PRO 99 Ca 0.00 -0.42 -0.13 0.00 0.04 0.00 0.00 61.00 60.49 2yrl s PRO 99 Cb 0.00 -5.09 0.04 0.00 0.04 0.00 0.00 34.50 29.49 2yrl s PRO 99 CO 0.00 -3.45 1.11 -1.12 0.04 0.00 0.00 177.00 173.58 2yrl s SER 100 N 7.79 4.63 -0.14 6.66 0.01 -1.26 -5.01 113.70 126.38 2yrl s SER 100 Ca 0.70 1.98 -0.10 0.00 1.31 0.00 0.00 55.95 59.83 2yrl s SER 100 Cb -0.06 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2yrl s SER 100 CO 0.01 -1.96 -0.20 -1.54 0.41 0.00 0.00 173.24 169.96 2yrl n SER 101 N -3.01 1.64 0.00 2.44 3.41 -1.26 -5.30 113.62 111.53 2yrl n SER 101 Ca 0.10 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2yrl n SER 101 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49