#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 -3.69 -0.00 1.61 2.88 -1.26 -4.87 113.62 108.29 2yrl n SER 2 Ca 0.00 0.59 -0.12 0.00 -1.33 0.00 0.00 58.87 58.01 2yrl n SER 2 Cb 0.00 -0.88 -0.07 0.00 -0.75 0.00 0.00 64.21 62.51 2yrl n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2yrl h SER 3 N -0.15 0.09 0.00 -3.46 4.64 -2.08 -3.46 113.55 109.14 2yrl h SER 3 Ca -0.42 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2yrl h SER 3 Cb 1.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2yrl h SER 3 CO 0.40 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2yrl n GLY 4 N -0.66 4.69 0.53 -0.77 0.00 -1.26 -5.10 105.19 102.62 2yrl n GLY 4 Ca -0.06 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrl n SER 5 N 0.00 1.74 -4.07 1.61 3.41 -1.26 -5.04 113.62 110.01 2yrl n SER 5 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 2yrl n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2yrl n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yrl n SER 6 N -2.52 -0.12 -0.89 4.04 7.64 -1.26 -4.35 113.62 116.16 2yrl n SER 6 Ca 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2yrl n SER 6 Cb 0.38 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.02 2yrl n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrl n GLY 7 N -2.17 -4.09 3.15 0.23 0.00 -1.26 -4.80 105.19 96.25 2yrl n GLY 7 Ca -0.31 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 2yrl n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yrl s GLN 8 N -2.43 0.79 0.23 1.61 1.03 -0.94 -4.77 119.66 115.18 2yrl s GLN 8 Ca 0.00 -1.25 -0.17 0.00 0.04 0.00 0.00 55.36 53.98 2yrl s GLN 8 Cb 0.00 -0.21 -0.11 0.00 0.03 0.00 0.00 33.01 32.71 2yrl s GLN 8 CO 0.00 -0.01 0.17 0.00 -2.54 0.00 0.00 175.29 172.91 2yrl n ALA 9 N 0.18 -2.45 -3.99 2.60 0.00 -1.13 -4.50 120.51 111.22 2yrl n ALA 9 Ca -0.14 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2yrl n ALA 9 Cb 0.60 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 2yrl n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2yrl s ASP 10 N -0.71 4.32 -0.17 0.00 -1.08 -1.26 -4.72 116.67 113.06 2yrl s ASP 10 Ca 0.43 -1.57 0.03 0.00 -0.52 0.00 0.00 52.55 50.93 2yrl s ASP 10 Cb -0.53 -1.40 0.32 0.00 -1.46 0.00 0.00 42.92 39.85 2yrl s ASP 10 CO 0.43 -0.28 1.28 0.00 0.52 0.00 0.00 175.17 177.12 2yrl n ALA 11 N 4.49 3.61 -1.35 3.66 0.00 -1.26 -4.06 120.51 125.59 2yrl n ALA 11 Ca -0.07 -1.13 0.16 0.00 0.00 0.00 0.00 53.44 52.40 2yrl n ALA 11 Cb 0.43 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.05 -2.79 3.60 0.00 0.00 -1.26 -4.64 105.19 100.05 2yrl n GLY 12 Ca 0.21 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.13 -1.03 0.21 1.61 0.04 -1.26 -4.85 135.00 125.59 2yrl s PRO 13 Ca 0.00 0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 2yrl s PRO 13 Cb 0.00 -1.61 -0.16 0.00 0.04 0.00 0.00 34.50 32.76 2yrl s PRO 13 CO 0.00 -3.60 0.77 -0.40 0.04 0.00 0.00 177.00 173.82 2yrl n ASP 14 N -4.69 -0.14 -4.38 6.66 5.75 -1.26 -4.83 116.55 113.65 2yrl n ASP 14 Ca 0.12 1.15 -0.35 0.00 -0.01 0.00 0.00 54.79 55.70 2yrl n ASP 14 Cb 0.59 -1.07 -0.13 0.00 -1.03 0.00 0.00 41.12 39.48 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 -1.00 3.50 -0.13 0.11 -0.14 -0.54 -5.02 119.74 116.52 2yrl s LYS 15 Ca 0.66 -0.58 0.01 0.00 -1.36 0.00 0.00 55.97 54.70 2yrl s LYS 15 Cb -0.88 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 32.27 2yrl s LYS 15 CO 0.57 -0.06 -0.16 -2.00 -0.76 0.00 0.00 175.35 172.94 2yrl s GLU 16 N 1.14 2.39 0.16 1.68 -6.30 -1.26 0.01 118.70 116.52 2yrl s GLU 16 Ca 0.02 -0.61 0.08 0.00 -2.50 0.00 0.00 54.97 51.96 2yrl s GLU 16 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 34.13 31.88 2yrl s GLU 16 CO 0.00 -0.12 -0.18 -0.51 0.02 0.00 0.00 175.26 174.47 2yrl s LEU 17 N 1.13 2.43 -0.04 2.70 1.43 0.54 -4.98 118.68 121.88 2yrl s LEU 17 Ca -0.03 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2yrl s LEU 17 Cb -0.14 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.28 2yrl s LEU 17 CO -0.05 -0.03 0.04 -0.89 0.23 0.00 0.00 176.35 175.65 2yrl s THR 18 N -1.98 0.03 0.81 5.49 2.01 -1.26 -0.23 115.64 120.50 2yrl s THR 18 Ca 0.15 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 2yrl s THR 18 Cb -0.06 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 2yrl s THR 18 CO 0.06 0.18 -0.10 0.18 -0.69 0.00 0.00 174.62 174.25 2yrl n LEU 19 N 4.95 -2.72 0.00 4.42 7.99 -0.59 -1.97 117.00 129.07 2yrl n LEU 19 Ca -0.11 0.42 0.07 0.00 -0.01 0.00 0.00 56.01 56.38 2yrl n LEU 19 Cb 0.50 -0.98 0.34 0.00 -0.11 0.00 0.00 43.42 43.18 2yrl n LEU 19 CO 0.11 -4.59 0.71 -0.81 -1.51 0.00 0.00 177.39 171.30 2yrl n PRO 20 N 0.73 0.13 -1.52 3.23 -0.04 -1.26 -4.08 135.00 132.18 2yrl n PRO 20 Ca 0.05 0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.38 2yrl n PRO 20 Cb 0.52 -1.50 -0.13 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 -1.37 -0.02 -1.68 0.52 0.31 -0.83 -4.72 118.33 110.53 2yrl n VAL 21 Ca 0.06 -0.36 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 2yrl n VAL 21 Cb 0.14 -1.09 0.13 0.00 -0.91 0.00 0.00 33.84 32.11 2yrl n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2yrl n ASP 22 N 11.60 3.55 -3.72 4.52 8.00 -1.26 -4.20 116.55 135.05 2yrl n ASP 22 Ca 0.58 -3.81 -0.12 0.00 0.71 0.00 0.00 54.79 52.15 2yrl n ASP 22 Cb 0.22 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2yrl s SER 23 N -3.03 -0.45 0.24 -2.24 1.04 -1.26 -1.98 113.70 106.02 2yrl s SER 23 Ca 0.47 0.82 0.02 0.00 0.48 0.00 0.00 55.95 57.74 2yrl s SER 23 Cb 0.41 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 67.25 2yrl s SER 23 CO -0.01 -0.17 0.18 0.28 0.98 0.00 0.00 173.24 174.50 2yrl s THR 24 N 0.90 0.01 -0.05 2.02 -1.32 -1.08 -5.01 115.64 111.11 2yrl s THR 24 Ca -0.06 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.44 2yrl s THR 24 Cb -0.06 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 2yrl s THR 24 CO -0.07 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.68 2yrl s THR 25 N -3.92 0.78 -0.77 5.08 -4.23 -1.26 -2.43 115.64 108.90 2yrl s THR 25 Ca 0.40 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 2yrl s THR 25 Cb 0.05 -0.75 0.20 0.00 1.34 0.00 0.00 72.50 73.34 2yrl s THR 25 CO 0.17 0.28 0.63 -0.76 -0.54 0.00 0.00 174.62 174.40 2yrl s LEU 26 N 0.78 5.67 -0.09 4.79 1.43 0.60 -4.95 118.68 126.92 2yrl s LEU 26 Ca -0.13 -3.11 -0.30 0.00 -1.03 0.00 0.00 54.13 49.56 2yrl s LEU 26 Cb -0.15 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2yrl s LEU 26 CO 0.02 -0.35 1.01 1.51 0.23 0.00 0.00 176.35 178.77 2yrl s ASP 27 N 0.76 7.26 -0.09 2.29 -4.77 -1.26 -2.01 116.67 118.84 2yrl s ASP 27 Ca 0.21 1.57 0.21 0.00 -3.30 0.00 0.00 52.55 51.23 2yrl s ASP 27 Cb -0.14 -2.56 0.43 0.00 -1.09 0.00 0.00 42.92 39.56 2yrl s ASP 27 CO -0.07 -0.42 1.18 0.61 0.70 0.00 0.00 175.17 177.17 2yrl n GLY 28 N 3.07 2.47 0.19 2.12 0.00 0.26 -4.28 105.19 109.03 2yrl n GLY 28 Ca 0.08 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 1.18 0.00 -0.57 1.61 0.02 -1.84 -2.79 113.55 111.16 2yrl h SER 29 Ca -0.13 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.48 2yrl h SER 29 Cb 1.58 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.94 2yrl h SER 29 CO 0.10 0.00 0.43 2.29 -1.14 0.00 0.00 176.83 178.51 2yrl n LYS 30 N -2.56 1.81 -0.20 3.45 2.85 -1.26 -4.53 118.16 117.72 2yrl n LYS 30 Ca 0.01 -1.77 -0.02 0.00 -1.05 0.00 0.00 58.31 55.48 2yrl n LYS 30 Cb 0.22 -1.70 0.09 0.00 -0.65 0.00 0.00 35.03 32.99 2yrl n LYS 30 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2yrl h SER 31 N 0.99 0.38 -3.02 -5.58 0.02 -1.74 -3.39 113.55 101.20 2yrl h SER 31 Ca 0.36 0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.51 2yrl h SER 31 Cb 1.57 -0.02 -0.28 0.00 0.14 0.00 0.00 62.40 63.82 2yrl h SER 31 CO 0.75 0.24 0.74 -0.94 -1.14 0.00 0.00 176.83 176.48 2yrl s SER 32 N -5.49 -0.20 -0.22 3.07 1.04 -1.26 -2.22 113.70 108.42 2yrl s SER 32 Ca -0.13 0.32 0.12 0.00 0.48 0.00 0.00 55.95 56.74 2yrl s SER 32 Cb 0.16 0.30 -0.22 0.00 0.10 0.00 0.00 66.02 66.35 2yrl s SER 32 CO 0.75 -0.12 -0.03 0.47 0.98 0.00 0.00 173.24 175.29 2yrl n ASP 33 N 1.29 0.75 -0.29 7.02 8.00 -1.26 -4.53 116.55 127.52 2yrl n ASP 33 Ca -0.08 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.31 2yrl n ASP 33 Cb 0.57 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 2yrl n ASP 33 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2yrl h ASP 34 N 0.00 -1.60 -4.03 -2.24 3.32 -1.95 -3.41 116.42 106.52 2yrl h ASP 34 Ca -0.56 0.28 -0.67 0.00 0.02 0.00 0.00 57.03 56.10 2yrl h ASP 34 Cb 2.12 0.75 -0.23 0.00 0.22 0.00 0.00 39.33 42.19 2yrl h ASP 34 CO -0.01 -0.30 -0.86 -1.58 -1.72 0.00 0.00 179.24 174.76 2yrl s GLN 35 N -5.81 1.43 -0.26 3.56 2.00 -1.26 -5.10 119.66 114.23 2yrl s GLN 35 Ca -0.14 -1.27 -0.29 0.00 -2.00 0.00 0.00 55.36 51.66 2yrl s GLN 35 Cb 0.15 -1.83 -0.01 0.00 0.80 0.00 0.00 33.01 32.12 2yrl s GLN 35 CO 0.67 0.44 1.38 0.21 -0.50 0.00 0.00 175.29 177.49 2yrl s LYS 36 N -1.87 3.93 0.31 1.67 2.47 -1.26 -4.78 119.74 120.21 2yrl s LYS 36 Ca 0.12 1.43 -0.29 0.00 -1.56 0.00 0.00 55.97 55.67 2yrl s LYS 36 Cb -0.10 -3.91 -0.10 0.00 -1.46 0.00 0.00 37.83 32.26 2yrl s LYS 36 CO 0.05 -1.10 1.22 0.42 0.16 0.00 0.00 175.35 176.10 2yrl s ILE 37 N 4.46 3.04 -0.06 5.43 1.09 -1.26 -3.57 121.20 130.33 2yrl s ILE 37 Ca 0.60 1.05 0.10 0.00 -1.10 0.00 0.00 60.65 61.30 2yrl s ILE 37 Cb -0.20 -3.67 0.17 0.00 -1.06 0.00 0.00 42.46 37.70 2yrl s ILE 37 CO 0.24 0.25 1.08 2.30 -0.10 0.00 0.00 174.94 178.71 2yrl n ILE 38 N 0.99 0.90 -3.77 2.92 -5.35 -1.08 -5.00 119.36 108.96 2yrl n ILE 38 Ca -0.00 -1.17 -0.13 0.00 -0.27 0.00 0.00 62.75 61.18 2yrl n ILE 38 Cb 0.43 0.19 -0.12 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.96 -0.23 -0.16 7.28 0.15 -1.24 -4.96 113.70 112.57 2yrl s SER 39 Ca 0.17 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 2yrl s SER 39 Cb 0.16 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.97 2yrl s SER 39 CO -0.00 -0.11 0.30 -0.31 1.20 0.00 0.00 173.24 174.32 2yrl s TYR 40 N 0.54 -0.53 0.02 3.44 2.02 -1.26 -3.87 117.35 117.71 2yrl s TYR 40 Ca -0.03 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 2yrl s TYR 40 Cb -0.05 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.51 2yrl s TYR 40 CO -0.03 -0.44 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.28 2yrl s LEU 41 N 2.47 2.15 -0.11 -1.29 2.96 -1.16 -3.56 118.68 120.14 2yrl s LEU 41 Ca 0.02 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 2yrl s LEU 41 Cb -0.13 -0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.44 2yrl s LEU 41 CO -0.10 -0.10 0.05 0.26 -1.32 0.00 0.00 176.35 175.13 2yrl s TRP 42 N -0.84 0.39 0.00 5.38 0.52 -0.64 -3.05 118.94 120.70 2yrl s TRP 42 Ca -0.06 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 55.89 2yrl s TRP 42 Cb -0.06 -0.70 -0.00 0.00 -1.15 0.00 0.00 33.47 31.55 2yrl s TRP 42 CO 0.00 -0.38 -0.01 -1.21 0.02 0.00 0.00 176.95 175.36 2yrl s GLU 43 N 2.07 0.13 -0.33 4.98 2.02 -1.15 -4.81 118.70 121.61 2yrl s GLU 43 Ca 0.03 -0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 2yrl s GLU 43 Cb -0.14 -0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.04 2yrl s GLU 43 CO -0.06 0.01 1.13 0.21 0.02 0.00 0.00 175.26 176.58 2yrl s LYS 44 N -0.26 4.00 -0.08 1.61 2.20 -1.26 -1.22 119.74 124.73 2yrl s LYS 44 Ca -0.02 1.07 -0.25 0.00 -0.36 0.00 0.00 55.97 56.40 2yrl s LYS 44 Cb -0.02 -3.79 -0.27 0.00 -1.51 0.00 0.00 37.83 32.25 2yrl s LYS 44 CO -0.00 -1.00 0.90 1.79 -0.36 0.00 0.00 175.35 176.68 2yrl h THR 45 N 5.83 1.62 -2.59 3.43 1.35 0.22 -3.48 112.91 119.29 2yrl h THR 45 Ca -0.22 -2.26 -0.52 0.00 -0.55 0.00 0.00 66.41 62.86 2yrl h THR 45 Cb 1.07 3.11 -0.13 0.00 -1.73 0.00 0.00 68.15 70.46 2yrl h THR 45 CO 1.04 0.61 -0.56 -1.10 -0.25 0.00 0.00 175.52 175.27 2yrl s GLN 46 N -2.62 1.81 0.00 4.72 -0.21 -0.97 -4.99 119.66 117.41 2yrl s GLN 46 Ca -0.16 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.15 2yrl s GLN 46 Cb -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.22 2yrl s GLN 46 CO 0.75 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2yrl n GLY 47 N -0.83 1.68 3.61 3.09 0.00 -1.24 -2.27 105.19 109.23 2yrl n GLY 47 Ca -0.05 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.04 3.57 0.10 1.61 0.04 -1.26 -4.95 135.00 132.07 2yrl s PRO 48 Ca 0.00 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 2yrl s PRO 48 Cb 0.00 -4.10 -0.10 0.00 0.04 0.00 0.00 34.50 30.34 2yrl s PRO 48 CO 0.00 -1.58 1.83 -0.51 0.04 0.00 0.00 177.00 176.79 2yrl s ASP 49 N 4.99 6.44 0.00 6.66 1.01 -1.26 -4.23 116.67 130.28 2yrl s ASP 49 Ca 0.74 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.71 2yrl s ASP 49 Cb -0.22 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2yrl s ASP 49 CO 0.32 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.30 2yrl n GLY 50 N 4.26 1.32 3.29 0.21 0.00 -1.26 -5.15 105.19 107.85 2yrl n GLY 50 Ca 0.18 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.09 1.61 0.24 -1.26 -4.99 118.33 109.84 2yrl n VAL 51 Ca 0.00 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.72 2yrl n VAL 51 Cb 0.00 -0.55 -0.16 0.00 -1.47 0.00 0.00 33.84 31.66 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 -3.36 2.76 -0.27 7.34 -0.21 0.65 -4.94 119.66 121.63 2yrl s GLN 52 Ca 0.55 -0.82 -0.12 0.00 0.02 0.00 0.00 55.36 54.98 2yrl s GLN 52 Cb -0.13 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2yrl s GLN 52 CO 0.67 -0.25 0.23 -0.51 -2.12 0.00 0.00 175.29 173.31 2yrl s LEU 53 N 1.32 4.05 0.09 2.90 1.43 -1.26 -0.45 118.68 126.76 2yrl s LEU 53 Ca 0.04 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2yrl s LEU 53 Cb -0.14 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2yrl s LEU 53 CO -0.12 -0.06 0.00 -1.61 0.23 0.00 0.00 176.35 174.80 2yrl s GLU 54 N 1.67 2.56 -1.62 1.70 0.41 0.33 -4.48 118.70 119.27 2yrl s GLU 54 Ca 0.09 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 2yrl s GLU 54 Cb -0.15 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 2yrl s GLU 54 CO 0.09 0.54 0.00 0.09 -0.49 0.00 0.00 175.26 175.49 2yrl n ASN 55 N 0.52 -4.97 -0.35 -0.19 3.02 -1.26 -2.06 115.26 109.97 2yrl n ASN 55 Ca -0.11 0.19 0.30 0.00 -0.03 0.00 0.00 54.58 54.93 2yrl n ASN 55 Cb 0.52 -4.26 0.62 0.00 -0.61 0.00 0.00 39.78 36.05 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 0.78 2.64 -0.22 5.41 0.00 -1.87 0.53 119.26 126.53 2yrl h ALA 56 Ca -0.40 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2yrl h ALA 56 Cb 1.25 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2yrl h ALA 56 CO 0.50 -1.06 0.15 0.09 0.00 0.00 0.00 179.25 178.93 2yrl n ASN 57 N -4.48 3.66 -4.09 0.00 4.13 -1.26 -1.63 115.26 111.60 2yrl n ASN 57 Ca 0.28 -2.41 -0.11 0.00 1.68 0.00 0.00 54.58 54.01 2yrl n ASN 57 Cb 1.11 -0.67 -0.11 0.00 -1.54 0.00 0.00 39.78 38.57 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2yrl s SER 58 N 0.63 0.86 0.54 6.41 0.01 0.18 -4.69 113.70 117.64 2yrl s SER 58 Ca 0.13 -0.75 0.27 0.00 1.31 0.00 0.00 55.95 56.91 2yrl s SER 58 Cb 0.10 0.08 1.43 0.00 0.21 0.00 0.00 66.02 67.84 2yrl s SER 58 CO 0.02 -0.34 1.96 0.28 0.41 0.00 0.00 173.24 175.57 2yrl h SER 59 N 3.85 0.00 -3.51 2.44 0.02 -1.87 -3.36 113.55 111.11 2yrl h SER 59 Ca -0.35 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.93 2yrl h SER 59 Cb 1.18 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.37 2yrl h SER 59 CO 0.52 0.00 -0.81 -0.69 -1.14 0.00 0.00 176.83 174.70 2yrl s VAL 60 N -4.98 2.26 0.33 2.27 1.01 -1.26 0.89 120.40 120.92 2yrl s VAL 60 Ca -0.05 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.72 2yrl s VAL 60 Cb 0.20 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2yrl s VAL 60 CO 0.73 0.21 0.37 0.00 0.00 0.00 0.00 175.10 176.41 2yrl s ALA 61 N 1.21 4.01 -0.06 5.51 0.00 -0.85 -4.79 121.76 126.78 2yrl s ALA 61 Ca -0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.36 2yrl s ALA 61 Cb -0.17 -1.38 0.03 0.00 0.00 0.00 0.00 23.12 21.59 2yrl s ALA 61 CO -0.08 -0.01 -0.01 0.99 0.00 0.00 0.00 175.76 176.65 2yrl s THR 62 N -2.25 0.43 -0.30 0.00 2.01 -0.87 -0.29 115.64 114.37 2yrl s THR 62 Ca 0.42 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 2yrl s THR 62 Cb -0.07 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2yrl s THR 62 CO 0.28 0.25 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 2yrl s VAL 63 N 1.62 4.54 0.20 3.82 1.01 -1.02 -0.51 120.40 130.05 2yrl s VAL 63 Ca -0.00 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2yrl s VAL 63 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2yrl s VAL 63 CO -0.04 0.12 0.01 0.42 0.00 0.00 0.00 175.10 175.61 2yrl s THR 64 N 1.61 3.70 -0.26 3.92 -4.23 0.40 -2.63 115.64 118.16 2yrl s THR 64 Ca 0.05 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2yrl s THR 64 Cb -0.17 -2.89 -0.00 0.00 1.34 0.00 0.00 72.50 70.78 2yrl s THR 64 CO 0.06 -0.18 0.22 0.61 -0.54 0.00 0.00 174.62 174.79 2yrl n GLY 65 N -0.34 0.30 3.98 3.99 0.00 -0.84 -0.25 105.19 112.03 2yrl n GLY 65 Ca -0.09 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.05 3.17 -0.09 0.99 1.43 -1.19 -4.16 118.68 115.78 2yrl s LEU 66 Ca 0.02 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 2yrl s LEU 66 Cb -0.00 -2.48 0.11 0.00 0.03 0.00 0.00 46.19 43.85 2yrl s LEU 66 CO 0.16 -1.38 0.90 0.00 0.23 0.00 0.00 176.35 176.26 2yrl s GLN 67 N -4.87 0.75 -0.77 1.70 -2.07 -1.26 -4.88 119.66 108.26 2yrl s GLN 67 Ca 0.61 0.03 -0.15 0.00 -1.82 0.00 0.00 55.36 54.02 2yrl s GLN 67 Cb -0.08 0.35 -0.22 0.00 -1.09 0.00 0.00 33.01 31.97 2yrl s GLN 67 CO 0.40 -0.26 1.86 0.28 -1.32 0.00 0.00 175.29 176.25 2yrl n VAL 68 N 0.47 0.00 -3.94 3.63 0.31 -1.26 -4.69 118.33 112.85 2yrl n VAL 68 Ca -0.11 -0.20 0.02 0.00 -0.01 0.00 0.00 64.34 64.03 2yrl n VAL 68 Cb 0.59 -0.19 0.01 0.00 -0.91 0.00 0.00 33.84 33.34 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 4.61 0.39 3.45 2.92 0.00 -1.25 -4.99 105.19 110.32 2yrl n GLY 69 Ca 0.52 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.07 3.87 -0.16 2.61 2.01 -1.26 -3.12 115.64 117.52 2yrl s THR 70 Ca 0.21 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.86 2yrl s THR 70 Cb -0.01 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.80 2yrl s THR 70 CO 0.00 0.45 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.95 2yrl s TYR 71 N 0.83 2.14 -0.38 4.92 1.51 -0.98 -3.69 117.35 121.70 2yrl s TYR 71 Ca -0.00 -1.25 -0.09 0.00 -1.01 0.00 0.00 57.07 54.72 2yrl s TYR 71 Cb -0.14 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.20 2yrl s TYR 71 CO 0.02 -0.67 0.20 0.08 -1.11 0.00 0.00 175.55 174.07 2yrl s VAL 72 N 1.50 4.22 -0.19 0.71 1.01 -0.96 -1.48 120.40 125.21 2yrl s VAL 72 Ca 0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 2yrl s VAL 72 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2yrl s VAL 72 CO -0.10 -0.32 0.03 -0.36 0.00 0.00 0.00 175.10 174.35 2yrl s PHE 73 N 1.46 3.14 -0.15 5.22 0.40 -1.14 0.94 117.98 127.85 2yrl s PHE 73 Ca 0.01 -0.17 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 2yrl s PHE 73 Cb -0.21 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 2yrl s PHE 73 CO 0.04 -0.03 0.11 0.99 0.70 0.00 0.00 175.22 177.03 2yrl s THR 74 N 0.67 5.25 -0.39 0.64 2.01 -0.36 -1.41 115.64 122.06 2yrl s THR 74 Ca 0.02 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2yrl s THR 74 Cb -0.14 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.12 2yrl s THR 74 CO 0.02 0.54 0.20 -0.22 -0.69 0.00 0.00 174.62 174.47 2yrl s LEU 75 N -0.40 4.89 -0.36 4.42 2.96 1.00 -2.91 118.68 128.27 2yrl s LEU 75 Ca 0.11 -1.50 -0.13 0.00 -0.22 0.00 0.00 54.13 52.39 2yrl s LEU 75 Cb -0.12 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 2yrl s LEU 75 CO 0.01 -0.47 0.25 -0.89 -1.32 0.00 0.00 176.35 173.93 2yrl s THR 76 N 1.36 5.16 0.44 3.68 2.01 -1.17 -2.47 115.64 124.64 2yrl s THR 76 Ca 0.02 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2yrl s THR 76 Cb -0.22 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2yrl s THR 76 CO 0.01 -0.10 0.05 0.68 -0.69 0.00 0.00 174.62 174.56 2yrl s VAL 77 N 1.69 1.17 0.04 3.82 -7.23 -1.26 -2.96 120.40 115.67 2yrl s VAL 77 Ca 0.05 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 2yrl s VAL 77 Cb -0.18 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2yrl s VAL 77 CO 0.10 0.00 0.27 -0.54 -0.31 0.00 0.00 175.10 174.61 2yrl s LYS 78 N -3.80 0.77 0.45 4.82 1.02 -1.25 -2.91 119.74 118.84 2yrl s LYS 78 Ca 0.21 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2yrl s LYS 78 Cb 0.05 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 2yrl s LYS 78 CO 0.11 -0.24 0.19 -0.51 -0.92 0.00 0.00 175.35 173.97 2yrl s ASP 79 N -2.10 4.39 0.51 2.83 1.11 -1.20 -2.64 116.67 119.58 2yrl s ASP 79 Ca -0.05 -1.22 0.32 0.00 0.18 0.00 0.00 52.55 51.79 2yrl s ASP 79 Cb -0.01 -0.14 1.45 0.00 1.07 0.00 0.00 42.92 45.29 2yrl s ASP 79 CO -0.04 -0.70 1.80 -0.08 1.18 0.00 0.00 175.17 177.33 2yrl h GLU 80 N 1.30 0.09 -0.95 8.23 4.22 -1.89 0.83 114.58 126.39 2yrl h GLU 80 Ca -0.42 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 58.96 2yrl h GLU 80 Cb 1.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2yrl h GLU 80 CO 0.69 0.06 0.08 0.54 -2.18 0.00 0.00 179.01 178.19 2yrl n ARG 81 N -4.30 1.58 -3.10 1.92 1.74 -1.26 -4.83 116.66 108.42 2yrl n ARG 81 Ca 0.25 -0.70 -0.16 0.00 -0.77 0.00 0.00 57.85 56.47 2yrl n ARG 81 Cb 1.15 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 31.10 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 0.13 -2.43 -4.66 0.55 3.02 0.29 -4.85 115.26 107.31 2yrl n ASN 82 Ca 0.10 -0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 2yrl n ASN 82 Cb 0.62 -2.11 -0.02 0.00 -0.61 0.00 0.00 39.78 37.66 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2yrl s LEU 83 N -5.94 4.15 0.02 3.41 1.43 -1.24 -4.83 118.68 115.68 2yrl s LEU 83 Ca 0.27 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.68 2yrl s LEU 83 Cb -0.15 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2yrl s LEU 83 CO 0.33 -0.71 0.69 -1.58 0.23 0.00 0.00 176.35 175.31 2yrl s GLN 84 N 3.30 4.42 0.32 1.70 -0.44 -1.26 -3.22 119.66 124.49 2yrl s GLN 84 Ca 0.50 0.92 0.05 0.00 -2.50 0.00 0.00 55.36 54.33 2yrl s GLN 84 Cb -0.19 -3.36 -0.02 0.00 -1.64 0.00 0.00 33.01 27.81 2yrl s GLN 84 CO 0.11 0.31 0.20 0.43 0.50 0.00 0.00 175.29 176.83 2yrl n SER 85 N 2.81 0.18 -3.62 6.67 7.64 -1.15 -5.05 113.62 121.11 2yrl n SER 85 Ca -0.04 -2.93 -0.11 0.00 1.01 0.00 0.00 58.87 56.79 2yrl n SER 85 Cb 0.51 1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 64.87 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 -3.28 0.64 -0.26 1.43 0.74 -1.26 -4.14 119.66 113.52 2yrl s GLN 86 Ca 0.28 0.57 -0.05 0.00 0.05 0.00 0.00 55.36 56.21 2yrl s GLN 86 Cb 0.01 0.31 0.14 0.00 1.10 0.00 0.00 33.01 34.57 2yrl s GLN 86 CO 0.20 -0.11 0.51 0.45 -0.55 0.00 0.00 175.29 175.78 2yrl s SER 87 N -0.11 -0.64 0.10 6.67 0.15 -1.03 -4.80 113.70 114.04 2yrl s SER 87 Ca 0.00 0.88 0.01 0.00 0.70 0.00 0.00 55.95 57.55 2yrl s SER 87 Cb -0.04 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.96 2yrl s SER 87 CO -0.02 -0.26 0.23 -0.94 1.20 0.00 0.00 173.24 173.46 2yrl s SER 88 N 2.73 6.29 -0.01 5.45 1.04 -1.26 -0.00 113.70 127.93 2yrl s SER 88 Ca 0.08 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.75 2yrl s SER 88 Cb -0.14 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 2yrl s SER 88 CO -0.17 0.12 -0.13 0.54 0.98 0.00 0.00 173.24 174.58 2yrl s VAL 89 N -1.61 1.02 -0.46 5.02 0.11 -0.50 -4.86 120.40 119.12 2yrl s VAL 89 Ca 0.34 -0.54 -0.20 0.00 -2.93 0.00 0.00 61.98 58.65 2yrl s VAL 89 Cb -0.12 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2yrl s VAL 89 CO 0.28 0.29 0.65 0.20 -3.33 0.00 0.00 175.10 173.19 2yrl s ASN 90 N -0.21 6.30 -0.47 3.54 0.01 -1.26 -2.89 114.94 119.95 2yrl s ASN 90 Ca 0.03 -0.47 -0.15 0.00 -0.71 0.00 0.00 52.86 51.56 2yrl s ASN 90 Cb -0.06 -2.32 0.07 0.00 0.41 0.00 0.00 41.25 39.36 2yrl s ASN 90 CO -0.00 -0.82 0.39 -0.69 -1.51 0.00 0.00 177.10 174.47 2yrl s VAL 91 N 2.81 5.17 -0.13 1.60 1.01 -0.55 -1.47 120.40 128.84 2yrl s VAL 91 Ca 0.21 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2yrl s VAL 91 Cb -0.15 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2yrl s VAL 91 CO 0.17 -0.57 0.15 -0.63 0.00 0.00 0.00 175.10 174.23 2yrl s ILE 92 N 1.63 5.46 -0.09 2.22 1.01 0.10 -2.31 121.20 129.23 2yrl s ILE 92 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2yrl s ILE 92 Cb -0.24 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2yrl s ILE 92 CO 0.06 0.57 -0.22 -0.69 0.00 0.00 0.00 174.94 174.66 2yrl s VAL 93 N -0.67 1.92 0.37 2.92 1.01 -1.18 -0.34 120.40 124.42 2yrl s VAL 93 Ca 0.14 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.25 2yrl s VAL 93 Cb -0.12 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2yrl s VAL 93 CO 0.03 0.53 0.00 -0.54 0.00 0.00 0.00 175.10 175.12 2yrl s LYS 94 N 0.28 2.00 0.47 2.72 3.01 0.68 -3.77 119.74 125.12 2yrl s LYS 94 Ca -0.15 -1.90 -0.06 0.00 -1.01 0.00 0.00 55.97 52.85 2yrl s LYS 94 Cb -0.17 -1.81 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 2yrl s LYS 94 CO 0.07 0.06 0.78 -1.21 0.51 0.00 0.00 175.35 175.56 2yrl s GLU 95 N -3.71 3.58 0.70 1.68 2.02 -1.26 -1.54 118.70 120.17 2yrl s GLU 95 Ca 0.35 0.24 -0.15 0.00 0.02 0.00 0.00 54.97 55.43 2yrl s GLU 95 Cb 0.03 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.91 2yrl s GLU 95 CO 0.19 -0.17 1.19 -2.00 0.02 0.00 0.00 175.26 174.48 2yrl s GLU 96 N -4.58 2.34 -0.58 1.61 2.12 -1.26 -4.67 118.70 113.67 2yrl s GLU 96 Ca 0.48 1.71 -0.01 0.00 0.36 0.00 0.00 54.97 57.51 2yrl s GLU 96 Cb -0.10 -1.86 0.15 0.00 0.26 0.00 0.00 34.13 32.57 2yrl s GLU 96 CO 0.43 -1.67 0.38 0.45 -0.54 0.00 0.00 175.26 174.31 2yrl s SER 97 N -2.07 5.05 0.00 -1.70 0.15 -1.26 -5.05 113.70 108.82 2yrl s SER 97 Ca 0.74 -2.82 0.00 0.00 0.70 0.00 0.00 55.95 54.57 2yrl s SER 97 Cb -0.28 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2yrl s SER 97 CO 0.43 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2yrl n GLY 98 N 3.50 6.80 2.97 9.45 0.00 -1.26 -5.16 105.19 121.49 2yrl n GLY 98 Ca 0.07 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 2yrl n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrl n PRO 99 N 0.00 -2.82 0.03 1.61 -0.04 -1.26 -5.05 135.00 127.47 2yrl n PRO 99 Ca 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2yrl n PRO 99 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2yrl n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yrl n SER 100 N -4.59 0.31 -0.04 3.54 3.41 -1.26 -4.86 113.62 110.13 2yrl n SER 100 Ca 0.13 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 2yrl n SER 100 Cb 0.50 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2yrl n SER 100 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yrl h SER 101 N 0.00 0.25 0.00 4.04 4.64 -2.09 -3.57 113.55 116.81 2yrl h SER 101 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2yrl h SER 101 Cb 0.42 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2yrl h SER 101 CO 0.00 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.19