#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 0.82 -3.96 1.61 3.41 -1.26 -5.02 113.62 109.23 2yrl n SER 2 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2yrl n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2yrl n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yrl n SER 3 N -2.47 -1.06 -4.17 4.04 3.41 -1.26 -4.88 113.62 107.22 2yrl n SER 3 Ca 0.00 -1.01 -0.19 0.00 -0.26 0.00 0.00 58.87 57.41 2yrl n SER 3 Cb 0.26 -1.29 -0.12 0.00 -0.26 0.00 0.00 64.21 62.80 2yrl n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yrl s GLY 4 N -3.05 0.87 -0.52 5.00 0.00 -1.26 -5.10 107.32 103.25 2yrl s GLY 4 Ca 0.55 -0.99 -0.28 0.00 0.00 0.00 0.00 44.72 44.01 2yrl s GLY 4 CO 0.83 -1.00 1.10 -0.45 0.00 0.00 0.00 173.10 173.57 2yrl s SER 5 N -1.66 6.51 -0.02 1.64 0.15 -1.26 -4.92 113.70 114.14 2yrl s SER 5 Ca -0.01 0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.66 2yrl s SER 5 Cb -0.10 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.60 2yrl s SER 5 CO 0.02 -1.30 0.74 0.77 1.20 0.00 0.00 173.24 174.66 2yrl h SER 6 N 9.33 -0.49 -2.72 5.45 4.64 -2.00 -3.43 113.55 124.34 2yrl h SER 6 Ca -0.24 0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.55 2yrl h SER 6 Cb 1.06 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2yrl h SER 6 CO 1.13 -0.14 1.00 -0.83 -0.87 0.00 0.00 176.83 177.12 2yrl s GLY 7 N -2.58 1.62 0.35 -0.77 0.00 -1.26 -4.99 107.32 99.70 2yrl s GLY 7 Ca -0.08 0.92 0.06 0.00 0.00 0.00 0.00 44.72 45.62 2yrl s GLY 7 CO 0.25 2.84 0.22 0.61 0.00 0.00 0.00 173.10 177.03 2yrl n GLN 8 N 6.42 0.47 -2.67 2.90 -0.00 -1.26 -4.89 117.38 118.35 2yrl n GLN 8 Ca 0.16 -3.29 -0.39 0.00 -0.00 0.00 0.00 57.00 53.48 2yrl n GLN 8 Cb 0.43 2.32 -0.06 0.00 -0.00 0.00 0.00 30.24 32.93 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 -3.22 3.31 -0.64 2.61 0.00 -1.25 -4.57 121.76 117.99 2yrl s ALA 9 Ca 0.31 0.67 0.06 0.00 0.00 0.00 0.00 51.96 53.00 2yrl s ALA 9 Cb 0.02 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 20.15 2yrl s ALA 9 CO 0.22 0.08 0.76 -3.47 0.00 0.00 0.00 175.76 173.35 2yrl n ASP 10 N 1.09 3.83 -0.37 0.00 -0.08 -1.26 -4.54 116.55 115.23 2yrl n ASP 10 Ca -0.00 -3.45 0.28 0.00 -1.51 0.00 0.00 54.79 50.10 2yrl n ASP 10 Cb 0.47 -0.68 0.56 0.00 2.34 0.00 0.00 41.12 43.82 2yrl n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yrl h ALA 11 N 4.16 2.42 0.00 -1.67 0.00 -1.87 -3.41 119.26 118.89 2yrl h ALA 11 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2yrl h ALA 11 Cb 0.66 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2yrl h ALA 11 CO 0.85 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2yrl n GLY 12 N -1.49 -1.01 3.68 0.00 0.00 -1.26 -4.44 105.19 100.67 2yrl n GLY 12 Ca 0.30 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.46 0.58 1.12 1.61 0.04 -1.26 -4.93 135.00 131.71 2yrl s PRO 13 Ca 0.00 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.47 2yrl s PRO 13 Cb 0.00 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.96 2yrl s PRO 13 CO 0.00 -2.64 0.45 -0.40 0.04 0.00 0.00 177.00 174.45 2yrl n ASP 14 N -4.12 -2.03 -3.97 6.66 5.68 -1.26 -4.84 116.55 112.66 2yrl n ASP 14 Ca 0.06 -0.08 -0.27 0.00 -0.50 0.00 0.00 54.79 53.99 2yrl n ASP 14 Cb 0.57 -1.11 -0.17 0.00 -1.14 0.00 0.00 41.12 39.27 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2yrl s LYS 15 N -3.86 1.73 -0.29 0.11 -0.14 0.07 -4.99 119.74 112.38 2yrl s LYS 15 Ca 0.61 -0.37 0.01 0.00 -1.36 0.00 0.00 55.97 54.86 2yrl s LYS 15 Cb -0.18 -1.61 0.09 0.00 -1.68 0.00 0.00 37.83 34.44 2yrl s LYS 15 CO 0.66 -0.15 0.04 -2.00 -0.76 0.00 0.00 175.35 173.14 2yrl s GLU 16 N 1.27 1.14 0.26 1.68 2.12 -1.26 -0.16 118.70 123.75 2yrl s GLU 16 Ca -0.03 -1.20 0.06 0.00 0.36 0.00 0.00 54.97 54.17 2yrl s GLU 16 Cb -0.14 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 2yrl s GLU 16 CO -0.04 -0.85 0.34 -0.51 -0.54 0.00 0.00 175.26 173.67 2yrl s LEU 17 N 1.40 4.12 -0.16 2.70 1.43 -0.37 -5.00 118.68 122.80 2yrl s LEU 17 Ca 0.05 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2yrl s LEU 17 Cb -0.18 -2.71 0.06 0.00 0.03 0.00 0.00 46.19 43.39 2yrl s LEU 17 CO -0.15 -0.14 0.07 -0.89 0.23 0.00 0.00 176.35 175.47 2yrl s THR 18 N -2.06 0.13 0.76 5.49 2.01 -1.26 -0.71 115.64 120.00 2yrl s THR 18 Ca 0.36 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 2yrl s THR 18 Cb -0.09 -0.68 -0.14 0.00 0.01 0.00 0.00 72.50 71.60 2yrl s THR 18 CO 0.28 -0.20 -0.51 0.18 -0.69 0.00 0.00 174.62 173.69 2yrl n LEU 19 N 5.20 -4.84 0.00 4.42 4.77 0.34 -2.23 117.00 124.66 2yrl n LEU 19 Ca -0.07 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.34 2yrl n LEU 19 Cb 0.49 -0.76 0.43 0.00 -2.33 0.00 0.00 43.42 41.24 2yrl n LEU 19 CO 0.11 -5.27 0.68 -0.81 -1.33 0.00 0.00 177.39 170.77 2yrl n PRO 20 N 1.99 0.37 -1.54 3.23 -0.04 -1.26 -3.90 135.00 133.85 2yrl n PRO 20 Ca 0.02 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 2yrl n PRO 20 Cb 0.50 -1.50 -0.11 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 -1.12 -0.01 -1.63 0.52 0.31 -0.94 -4.72 118.33 110.73 2yrl n VAL 21 Ca 0.10 -0.51 -0.20 0.00 -0.01 0.00 0.00 64.34 63.72 2yrl n VAL 21 Cb 0.08 -1.49 0.10 0.00 -0.91 0.00 0.00 33.84 31.62 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 14.39 4.74 -3.72 4.52 5.75 -1.26 -4.08 116.55 136.90 2yrl n ASP 22 Ca 0.52 -3.77 -0.12 0.00 -0.01 0.00 0.00 54.79 51.41 2yrl n ASP 22 Cb 0.34 -0.62 -0.11 0.00 -1.03 0.00 0.00 41.12 39.70 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2yrl s SER 23 N -2.72 -0.43 0.30 -1.12 1.04 -1.26 -2.71 113.70 106.81 2yrl s SER 23 Ca 0.53 0.77 0.03 0.00 0.48 0.00 0.00 55.95 57.76 2yrl s SER 23 Cb 0.44 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 67.20 2yrl s SER 23 CO 0.01 -0.17 0.15 0.28 0.98 0.00 0.00 173.24 174.50 2yrl s THR 24 N 1.05 0.34 -0.12 2.02 -1.32 -1.11 -5.01 115.64 111.48 2yrl s THR 24 Ca -0.07 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.41 2yrl s THR 24 Cb -0.07 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.42 2yrl s THR 24 CO -0.08 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 172.64 2yrl s THR 25 N -3.64 1.26 -0.93 5.08 -4.23 -1.26 -2.52 115.64 109.40 2yrl s THR 25 Ca 0.36 -0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.29 2yrl s THR 25 Cb 0.05 -1.22 0.22 0.00 1.34 0.00 0.00 72.50 72.89 2yrl s THR 25 CO 0.17 0.40 0.94 -0.76 -0.54 0.00 0.00 174.62 174.84 2yrl s LEU 26 N 1.51 6.31 -0.47 4.79 1.43 0.06 -4.94 118.68 127.37 2yrl s LEU 26 Ca 0.03 -2.82 -0.23 0.00 -1.03 0.00 0.00 54.13 50.08 2yrl s LEU 26 Cb -0.13 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2yrl s LEU 26 CO -0.08 -0.59 0.79 1.51 0.23 0.00 0.00 176.35 178.21 2yrl s ASP 27 N 2.23 6.38 -0.38 2.29 -4.77 -1.26 -2.50 116.67 118.65 2yrl s ASP 27 Ca 0.25 -0.23 0.05 0.00 -3.30 0.00 0.00 52.55 49.32 2yrl s ASP 27 Cb -0.09 -2.38 0.47 0.00 -1.09 0.00 0.00 42.92 39.84 2yrl s ASP 27 CO -0.08 -0.96 1.49 0.61 0.70 0.00 0.00 175.17 176.93 2yrl n GLY 28 N 5.03 5.77 2.23 2.12 0.00 -0.45 -4.67 105.19 115.21 2yrl n GLY 28 Ca 0.01 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 2yrl n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrl n SER 29 N -0.91 6.99 -1.25 1.61 2.88 -1.26 -4.34 113.62 117.34 2yrl n SER 29 Ca 0.45 -3.40 -0.06 0.00 -1.33 0.00 0.00 58.87 54.52 2yrl n SER 29 Cb 0.92 -1.06 0.12 0.00 -0.75 0.00 0.00 64.21 63.45 2yrl n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yrl n LYS 30 N -0.08 2.38 -2.81 -1.46 5.02 -1.26 -5.06 118.16 114.90 2yrl n LYS 30 Ca 0.46 -3.63 -0.35 0.00 -2.02 0.00 0.00 58.31 52.77 2yrl n LYS 30 Cb 0.57 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 2yrl n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2yrl s SER 31 N -3.36 7.15 0.31 4.39 0.15 -1.26 -4.74 113.70 116.33 2yrl s SER 31 Ca 0.43 1.76 -0.22 0.00 0.70 0.00 0.00 55.95 58.62 2yrl s SER 31 Cb 0.39 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.99 2yrl s SER 31 CO -0.03 -0.20 0.22 -1.20 1.20 0.00 0.00 173.24 173.24 2yrl n SER 32 N 0.01 -2.13 0.03 5.45 7.64 -1.26 -4.87 113.62 118.49 2yrl n SER 32 Ca 0.04 0.86 -0.12 0.00 1.01 0.00 0.00 58.87 60.66 2yrl n SER 32 Cb 0.52 -0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 2yrl n SER 32 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2yrl h ASP 33 N 0.52 -0.12 -0.87 6.43 3.32 -2.00 -3.30 116.42 120.40 2yrl h ASP 33 Ca -0.31 -0.43 0.13 0.00 0.02 0.00 0.00 57.03 56.44 2yrl h ASP 33 Cb 1.34 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.78 2yrl h ASP 33 CO 0.47 0.42 -0.35 -0.67 -1.72 0.00 0.00 179.24 177.39 2yrl n ASP 34 N -4.90 -0.58 -3.96 6.45 2.03 -1.26 -1.38 116.55 112.96 2yrl n ASP 34 Ca -0.08 1.51 -0.42 0.00 0.52 0.00 0.00 54.79 56.32 2yrl n ASP 34 Cb 0.27 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 2yrl n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yrl n GLN 35 N -5.27 4.32 -1.47 -0.67 1.13 -1.24 -5.01 117.38 109.16 2yrl n GLN 35 Ca 0.09 -4.57 -0.50 0.00 -1.94 0.00 0.00 57.00 50.08 2yrl n GLN 35 Cb 0.34 -2.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.14 2yrl n GLN 35 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2yrl n LYS 36 N 1.29 1.21 -1.57 -1.09 5.02 -0.48 -4.71 118.16 117.83 2yrl n LYS 36 Ca 0.26 0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 56.49 2yrl n LYS 36 Cb 0.34 -2.55 0.02 0.00 -0.02 0.00 0.00 35.03 32.83 2yrl n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2yrl n ILE 37 N 7.16 2.62 0.00 -0.18 2.08 -1.26 -4.64 119.36 125.14 2yrl n ILE 37 Ca 0.39 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2yrl n ILE 37 Cb 0.25 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.12 2yrl n ILE 37 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2yrl n ILE 38 N -0.98 0.00 -4.51 1.39 -5.35 -0.72 -5.02 119.36 104.17 2yrl n ILE 38 Ca 0.11 -0.20 -0.26 0.00 -0.27 0.00 0.00 62.75 62.13 2yrl n ILE 38 Cb 0.42 0.69 -0.13 0.00 -1.74 0.00 0.00 39.64 38.88 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 -1.41 2.72 -0.09 7.28 0.15 -1.11 -4.98 113.70 116.26 2yrl s SER 39 Ca 0.00 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 2yrl s SER 39 Cb 0.00 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.17 2yrl s SER 39 CO 0.00 0.14 0.19 -0.31 1.20 0.00 0.00 173.24 174.46 2yrl s TYR 40 N -0.97 -0.25 -0.00 3.44 2.02 -1.26 -3.64 117.35 116.69 2yrl s TYR 40 Ca 0.09 0.70 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2yrl s TYR 40 Cb -0.10 -0.18 -0.00 0.00 -0.40 0.00 0.00 41.96 41.29 2yrl s TYR 40 CO 0.03 -0.28 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.53 2yrl s LEU 41 N 2.19 1.98 -0.20 -1.29 1.98 -0.23 -3.14 118.68 119.97 2yrl s LEU 41 Ca 0.01 -0.05 -0.01 0.00 -2.89 0.00 0.00 54.13 51.19 2yrl s LEU 41 Cb -0.12 -0.15 0.06 0.00 0.66 0.00 0.00 46.19 46.64 2yrl s LEU 41 CO -0.07 0.03 -0.02 0.26 -1.89 0.00 0.00 176.35 174.67 2yrl s TRP 42 N -0.03 1.74 -0.02 5.38 0.52 0.44 -1.00 118.94 125.96 2yrl s TRP 42 Ca 0.01 -1.27 0.03 0.00 0.02 0.00 0.00 56.10 54.88 2yrl s TRP 42 Cb -0.01 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.99 2yrl s TRP 42 CO -0.00 -0.68 -0.10 -1.21 0.02 0.00 0.00 176.95 174.99 2yrl s GLU 43 N 1.62 0.94 -0.15 4.98 0.41 -1.22 -4.79 118.70 120.49 2yrl s GLU 43 Ca -0.03 -0.33 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 2yrl s GLU 43 Cb -0.17 -0.89 -0.01 0.00 -1.78 0.00 0.00 34.13 31.28 2yrl s GLU 43 CO -0.07 0.15 1.19 0.21 -0.49 0.00 0.00 175.26 176.24 2yrl s LYS 44 N 0.07 4.28 -0.17 1.61 2.20 -1.26 -1.81 119.74 124.66 2yrl s LYS 44 Ca -0.01 1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 56.98 2yrl s LYS 44 Cb -0.07 -3.68 -0.23 0.00 -1.51 0.00 0.00 37.83 32.34 2yrl s LYS 44 CO 0.00 -0.61 0.39 1.79 -0.36 0.00 0.00 175.35 176.56 2yrl h THR 45 N 5.36 1.05 -2.84 3.43 1.35 -1.03 -3.48 112.91 116.75 2yrl h THR 45 Ca -0.27 -2.27 -0.46 0.00 -0.55 0.00 0.00 66.41 62.87 2yrl h THR 45 Cb 1.11 2.53 -0.14 0.00 -1.73 0.00 0.00 68.15 69.92 2yrl h THR 45 CO 0.95 0.49 -0.67 -1.10 -0.25 0.00 0.00 175.52 174.94 2yrl s GLN 46 N -2.38 1.48 0.00 4.72 -0.21 -1.08 -5.00 119.66 117.19 2yrl s GLN 46 Ca -0.25 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.39 2yrl s GLN 46 Cb 0.04 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 33.05 2yrl s GLN 46 CO 0.66 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 174.25 2yrl n GLY 47 N -0.53 2.43 3.63 3.09 0.00 -1.25 -2.19 105.19 110.37 2yrl n GLY 47 Ca -0.05 -2.06 -0.43 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 -2.30 3.82 0.25 1.61 0.04 -1.26 -4.96 135.00 132.20 2yrl s PRO 48 Ca 0.00 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 2yrl s PRO 48 Cb 0.00 -4.03 -0.12 0.00 0.04 0.00 0.00 34.50 30.39 2yrl s PRO 48 CO 0.00 -1.27 1.65 -0.25 0.04 0.00 0.00 177.00 177.17 2yrl n ASP 49 N 8.36 3.89 0.00 6.66 9.92 -1.26 -4.25 116.55 139.87 2yrl n ASP 49 Ca 0.19 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 2yrl n ASP 49 Cb 0.45 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 2yrl n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2yrl n GLY 50 N 2.97 2.20 3.37 0.44 0.00 -1.26 -5.15 105.19 107.76 2yrl n GLY 50 Ca 0.12 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.28 1.61 0.24 -1.26 -4.98 118.33 109.66 2yrl n VAL 51 Ca 0.00 -0.22 -0.33 0.00 -2.04 0.00 0.00 64.34 61.74 2yrl n VAL 51 Cb 0.00 -0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 31.63 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 -3.51 3.10 -0.30 7.34 -1.52 -0.30 -4.95 119.66 119.51 2yrl s GLN 52 Ca 0.56 -0.79 -0.14 0.00 -1.95 0.00 0.00 55.36 53.04 2yrl s GLN 52 Cb -0.19 -2.62 -0.03 0.00 -0.22 0.00 0.00 33.01 29.95 2yrl s GLN 52 CO 0.68 -0.13 0.30 -0.51 -0.25 0.00 0.00 175.29 175.38 2yrl s LEU 53 N 1.13 4.19 -0.05 2.90 1.43 -1.26 -1.58 118.68 125.44 2yrl s LEU 53 Ca 0.01 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2yrl s LEU 53 Cb -0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2yrl s LEU 53 CO -0.07 -0.19 0.09 -1.61 0.23 0.00 0.00 176.35 174.80 2yrl s GLU 54 N 1.92 3.17 -1.37 1.70 2.02 0.23 -4.37 118.70 122.00 2yrl s GLU 54 Ca 0.11 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2yrl s GLU 54 Cb -0.16 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2yrl s GLU 54 CO 0.11 0.69 0.00 0.09 0.02 0.00 0.00 175.26 176.17 2yrl n ASN 55 N 1.55 -4.48 -0.25 -0.19 3.02 -1.26 -2.13 115.26 111.52 2yrl n ASN 55 Ca -0.16 0.18 0.28 0.00 -0.03 0.00 0.00 54.58 54.85 2yrl n ASN 55 Cb 0.53 -3.84 0.67 0.00 -0.61 0.00 0.00 39.78 36.54 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 0.90 2.75 -0.31 5.41 0.00 -1.87 0.18 119.26 126.32 2yrl h ALA 56 Ca -0.35 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2yrl h ALA 56 Cb 1.21 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2yrl h ALA 56 CO 0.43 -1.06 0.25 0.09 0.00 0.00 0.00 179.25 178.96 2yrl n ASN 57 N -4.33 4.90 -4.15 0.00 3.02 -1.26 -0.42 115.26 113.02 2yrl n ASN 57 Ca 0.22 -2.70 -0.11 0.00 -0.03 0.00 0.00 54.58 51.96 2yrl n ASN 57 Cb 1.00 -0.88 -0.09 0.00 -0.61 0.00 0.00 39.78 39.19 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2yrl s SER 58 N 0.59 0.16 0.24 6.41 0.15 0.63 -4.66 113.70 117.21 2yrl s SER 58 Ca 0.19 -1.26 -0.07 0.00 0.70 0.00 0.00 55.95 55.51 2yrl s SER 58 Cb 0.16 0.38 0.22 0.00 -1.71 0.00 0.00 66.02 65.07 2yrl s SER 58 CO 0.01 -0.85 1.88 0.77 1.20 0.00 0.00 173.24 176.25 2yrl h SER 59 N 2.64 1.13 -3.38 5.45 4.64 -1.87 -3.40 113.55 118.76 2yrl h SER 59 Ca -0.34 -0.08 -0.66 0.00 -0.47 0.00 0.00 61.79 60.23 2yrl h SER 59 Cb 1.24 -0.29 -0.30 0.00 -0.31 0.00 0.00 62.40 62.74 2yrl h SER 59 CO 0.52 0.88 -0.75 -0.69 -0.87 0.00 0.00 176.83 175.93 2yrl s VAL 60 N -5.92 3.07 0.29 0.95 1.01 -1.26 -1.35 120.40 117.18 2yrl s VAL 60 Ca -0.13 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.25 2yrl s VAL 60 Cb 0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2yrl s VAL 60 CO 0.83 0.38 -0.03 0.00 0.00 0.00 0.00 175.10 176.27 2yrl s ALA 61 N 1.41 3.11 -0.07 5.51 0.00 -1.04 -4.80 121.76 125.88 2yrl s ALA 61 Ca 0.04 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2yrl s ALA 61 Cb -0.15 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.40 2yrl s ALA 61 CO -0.05 0.22 -0.07 0.99 0.00 0.00 0.00 175.76 176.84 2yrl s THR 62 N -2.40 0.85 -0.21 0.00 2.01 -0.91 -0.76 115.64 114.22 2yrl s THR 62 Ca 0.32 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2yrl s THR 62 Cb -0.05 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2yrl s THR 62 CO 0.19 0.31 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 2yrl s VAL 63 N 1.16 3.78 0.31 3.82 1.01 -1.05 -0.60 120.40 128.83 2yrl s VAL 63 Ca -0.06 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.65 2yrl s VAL 63 Cb -0.14 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2yrl s VAL 63 CO -0.01 0.41 -0.02 0.42 0.00 0.00 0.00 175.10 175.90 2yrl s THR 64 N 1.26 2.81 -0.20 3.92 -4.23 -0.62 -2.74 115.64 115.85 2yrl s THR 64 Ca 0.04 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2yrl s THR 64 Cb -0.15 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2yrl s THR 64 CO 0.00 -0.27 0.17 0.61 -0.54 0.00 0.00 174.62 174.60 2yrl n GLY 65 N -0.90 0.67 3.98 3.99 0.00 -1.10 -1.15 105.19 110.68 2yrl n GLY 65 Ca -0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.05 3.12 0.01 0.99 1.43 -1.10 -4.23 118.68 116.85 2yrl s LEU 66 Ca 0.07 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 2yrl s LEU 66 Cb -0.03 -2.49 0.10 0.00 0.03 0.00 0.00 46.19 43.79 2yrl s LEU 66 CO 0.11 -1.46 0.96 0.00 0.23 0.00 0.00 176.35 176.19 2yrl s GLN 67 N -4.94 0.83 -0.95 1.70 -2.07 -1.26 -4.82 119.66 108.15 2yrl s GLN 67 Ca 0.61 -0.36 -0.22 0.00 -1.82 0.00 0.00 55.36 53.58 2yrl s GLN 67 Cb -0.08 0.35 -0.25 0.00 -1.09 0.00 0.00 33.01 31.93 2yrl s GLN 67 CO 0.41 -0.37 2.38 0.28 -1.32 0.00 0.00 175.29 176.67 2yrl n VAL 68 N -0.29 0.00 -4.02 3.63 0.31 -1.26 -4.60 118.33 112.10 2yrl n VAL 68 Ca -0.07 -0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.12 2yrl n VAL 68 Cb 0.61 -0.29 0.01 0.00 -0.91 0.00 0.00 33.84 33.26 2yrl n VAL 68 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2yrl s GLY 69 N 5.29 -0.20 -0.18 2.92 0.00 -1.23 -4.97 107.32 108.95 2yrl s GLY 69 Ca 1.28 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 2yrl s GLY 69 CO 0.50 6.58 0.04 -1.59 0.00 0.00 0.00 173.10 178.63 2yrl s THR 70 N -2.01 4.60 -0.16 0.90 2.01 -1.26 -2.79 115.64 116.93 2yrl s THR 70 Ca 0.32 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.21 2yrl s THR 70 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.48 2yrl s THR 70 CO -0.03 0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.97 2yrl s TYR 71 N 0.41 1.87 -0.38 4.92 1.51 0.15 -3.90 117.35 121.93 2yrl s TYR 71 Ca 0.02 -1.13 -0.10 0.00 -1.01 0.00 0.00 57.07 54.84 2yrl s TYR 71 Cb -0.13 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2yrl s TYR 71 CO 0.01 -0.63 0.21 0.08 -1.11 0.00 0.00 175.55 174.11 2yrl s VAL 72 N 1.58 4.46 -0.23 0.71 1.01 -0.93 -1.41 120.40 125.59 2yrl s VAL 72 Ca 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2yrl s VAL 72 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2yrl s VAL 72 CO -0.08 -0.28 0.07 -0.36 0.00 0.00 0.00 175.10 174.44 2yrl s PHE 73 N 1.52 3.12 -0.40 5.22 0.08 -1.18 -0.31 117.98 126.04 2yrl s PHE 73 Ca 0.02 -0.27 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2yrl s PHE 73 Cb -0.20 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2yrl s PHE 73 CO 0.06 -0.21 0.26 0.99 -0.10 0.00 0.00 175.22 176.22 2yrl s THR 74 N 1.25 4.91 -0.37 0.64 2.01 -0.75 -1.77 115.64 121.56 2yrl s THR 74 Ca 0.05 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 2yrl s THR 74 Cb -0.15 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.62 2yrl s THR 74 CO 0.03 -0.30 0.95 -0.22 -0.69 0.00 0.00 174.62 174.39 2yrl s LEU 75 N 1.61 3.97 -0.23 4.42 2.96 0.40 -3.37 118.68 128.44 2yrl s LEU 75 Ca 0.03 0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 2yrl s LEU 75 Cb -0.20 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 2yrl s LEU 75 CO 0.08 -0.89 0.18 -0.89 -1.32 0.00 0.00 176.35 173.51 2yrl s THR 76 N 3.55 5.35 0.11 3.68 2.01 -0.17 -1.65 115.64 128.52 2yrl s THR 76 Ca 0.39 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.66 2yrl s THR 76 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2yrl s THR 76 CO 0.19 0.35 -0.10 0.68 -0.69 0.00 0.00 174.62 175.05 2yrl s VAL 77 N 1.00 1.01 0.05 3.82 -7.23 -0.92 -1.07 120.40 117.07 2yrl s VAL 77 Ca 0.09 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2yrl s VAL 77 Cb -0.13 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 2yrl s VAL 77 CO 0.04 -0.60 -0.09 -0.54 -0.31 0.00 0.00 175.10 173.60 2yrl s LYS 78 N -3.03 0.60 0.47 4.82 1.02 -1.24 -2.77 119.74 119.62 2yrl s LYS 78 Ca 0.08 -0.83 0.07 0.00 0.02 0.00 0.00 55.97 55.31 2yrl s LYS 78 Cb -0.02 -0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 36.90 2yrl s LYS 78 CO 0.00 0.07 0.34 0.34 -0.92 0.00 0.00 175.35 175.19 2yrl s ASP 79 N -1.69 4.71 0.42 2.83 2.15 -1.20 -1.76 116.67 122.14 2yrl s ASP 79 Ca -0.07 -1.06 0.23 0.00 0.43 0.00 0.00 52.55 52.08 2yrl s ASP 79 Cb -0.09 -0.09 1.24 0.00 -0.30 0.00 0.00 42.92 43.67 2yrl s ASP 79 CO 0.01 -0.84 1.72 -0.33 -0.17 0.00 0.00 175.17 175.55 2yrl h GLU 80 N 0.99 0.26 -1.17 4.34 5.08 -1.93 0.74 114.58 122.89 2yrl h GLU 80 Ca -0.40 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 2yrl h GLU 80 Cb 1.28 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2yrl h GLU 80 CO 0.60 0.17 0.19 0.54 -1.00 0.00 0.00 179.01 179.51 2yrl n ARG 81 N -4.64 1.37 -3.37 2.33 5.12 -1.26 -4.81 116.66 111.39 2yrl n ARG 81 Ca 0.30 -0.83 -0.20 0.00 -1.93 0.00 0.00 57.85 55.19 2yrl n ARG 81 Cb 1.10 -1.33 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 2yrl n ARG 81 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2yrl n ASN 82 N 0.24 -1.33 -4.67 0.55 3.02 0.26 -4.81 115.26 108.51 2yrl n ASN 82 Ca 0.16 -0.32 -0.43 0.00 -0.03 0.00 0.00 54.58 53.97 2yrl n ASN 82 Cb 0.75 -1.23 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 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 -5.82 4.24 -0.16 3.41 1.43 -1.23 -4.81 118.68 115.73 2yrl s LEU 83 Ca 0.38 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 55.06 2yrl s LEU 83 Cb -0.22 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 2yrl s LEU 83 CO 0.47 -0.70 0.70 -1.58 0.23 0.00 0.00 176.35 175.46 2yrl s GLN 84 N 2.97 4.28 -0.30 1.70 0.74 -1.26 -3.21 119.66 124.58 2yrl s GLN 84 Ca 0.57 0.78 -0.10 0.00 0.05 0.00 0.00 55.36 56.66 2yrl s GLN 84 Cb -0.24 -3.55 0.14 0.00 1.10 0.00 0.00 33.01 30.46 2yrl s GLN 84 CO 0.19 -0.19 0.71 -1.12 -0.55 0.00 0.00 175.29 174.32 2yrl s SER 85 N 1.09 -1.06 0.19 6.67 0.01 -1.11 -5.07 113.70 114.41 2yrl s SER 85 Ca 0.33 1.41 0.05 0.00 1.31 0.00 0.00 55.95 59.05 2yrl s SER 85 Cb -0.16 2.19 -0.05 0.00 0.21 0.00 0.00 66.02 68.21 2yrl s SER 85 CO 0.12 -0.20 -0.07 0.00 0.41 0.00 0.00 173.24 173.50 2yrl s GLN 86 N 2.83 1.21 -0.02 12.44 -2.07 -1.26 -2.17 119.66 130.63 2yrl s GLN 86 Ca -0.04 -1.56 -0.02 0.00 -1.82 0.00 0.00 55.36 51.92 2yrl s GLN 86 Cb -0.11 -0.72 0.01 0.00 -1.09 0.00 0.00 33.01 31.10 2yrl s GLN 86 CO -0.19 0.03 0.05 -1.12 -1.32 0.00 0.00 175.29 172.74 2yrl s SER 87 N -3.25 -0.05 0.09 12.60 0.01 -0.66 -4.67 113.70 117.78 2yrl s SER 87 Ca 0.22 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.59 2yrl s SER 87 Cb 0.03 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 2yrl s SER 87 CO 0.05 -0.02 0.21 -0.94 0.41 0.00 0.00 173.24 172.95 2yrl s SER 88 N 0.07 6.24 0.04 2.44 1.04 -1.26 -0.45 113.70 121.81 2yrl s SER 88 Ca -0.00 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.68 2yrl s SER 88 Cb -0.01 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.21 2yrl s SER 88 CO -0.00 0.13 -0.15 0.54 0.98 0.00 0.00 173.24 174.74 2yrl s VAL 89 N -1.57 1.21 -0.40 5.02 0.11 -0.73 -4.93 120.40 119.10 2yrl s VAL 89 Ca 0.34 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.18 2yrl s VAL 89 Cb -0.12 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2yrl s VAL 89 CO 0.27 0.06 0.65 0.20 -3.33 0.00 0.00 175.10 172.95 2yrl s ASN 90 N -1.10 6.38 -0.31 3.54 0.01 -1.26 -3.08 114.94 119.11 2yrl s ASN 90 Ca 0.03 -0.10 -0.04 0.00 -0.71 0.00 0.00 52.86 52.04 2yrl s ASN 90 Cb -0.08 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.30 2yrl s ASN 90 CO 0.01 -0.70 0.04 -0.69 -1.51 0.00 0.00 177.10 174.26 2yrl s VAL 91 N 2.80 3.38 0.01 1.60 1.01 -0.50 -0.75 120.40 127.95 2yrl s VAL 91 Ca 0.24 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.06 2yrl s VAL 91 Cb -0.14 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2yrl s VAL 91 CO 0.17 -0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.45 2yrl s ILE 92 N 1.34 3.41 -0.06 2.22 1.09 0.77 -0.68 121.20 129.30 2yrl s ILE 92 Ca -0.03 -0.89 0.04 0.00 -1.10 0.00 0.00 60.65 58.68 2yrl s ILE 92 Cb -0.19 -2.47 -0.00 0.00 -1.06 0.00 0.00 42.46 38.73 2yrl s ILE 92 CO 0.01 0.38 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.33 2yrl s VAL 93 N -0.98 1.67 0.48 2.92 1.01 -1.12 -1.24 120.40 123.14 2yrl s VAL 93 Ca 0.16 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2yrl s VAL 93 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2yrl s VAL 93 CO 0.07 0.47 0.10 -0.54 0.00 0.00 0.00 175.10 175.20 2yrl s LYS 94 N 0.13 2.17 0.66 2.72 3.01 0.11 -3.56 119.74 124.98 2yrl s LYS 94 Ca -0.08 -2.20 0.00 0.00 -1.01 0.00 0.00 55.97 52.69 2yrl s LYS 94 Cb -0.14 -1.72 0.09 0.00 -1.01 0.00 0.00 37.83 35.05 2yrl s LYS 94 CO 0.04 -0.31 0.91 -1.21 0.51 0.00 0.00 175.35 175.29 2yrl s GLU 95 N -3.92 2.01 -0.04 1.68 2.02 -1.26 -0.51 118.70 118.68 2yrl s GLU 95 Ca 0.21 -1.00 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 2yrl s GLU 95 Cb 0.03 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2yrl s GLU 95 CO 0.12 -1.17 1.36 -2.00 0.02 0.00 0.00 175.26 173.58 2yrl s GLU 96 N -5.00 4.28 0.77 1.61 2.12 -1.25 -4.39 118.70 116.84 2yrl s GLU 96 Ca 0.63 1.87 -0.15 0.00 0.36 0.00 0.00 54.97 57.68 2yrl s GLU 96 Cb -0.07 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.71 2yrl s GLU 96 CO 0.42 -0.59 0.89 0.43 -0.54 0.00 0.00 175.26 175.87 2yrl n SER 97 N 5.66 0.05 -4.39 -1.70 7.64 -1.26 -4.95 113.62 114.67 2yrl n SER 97 Ca 0.13 0.60 -0.28 0.00 1.01 0.00 0.00 58.87 60.32 2yrl n SER 97 Cb 0.44 -1.38 0.26 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.09 -2.29 3.77 0.23 0.00 -1.26 -4.96 105.19 101.78 2yrl n GLY 98 Ca 0.12 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.32 3.71 -0.06 1.61 0.04 -1.26 -5.06 135.00 129.65 2yrl s PRO 99 Ca 0.68 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 2yrl s PRO 99 Cb -0.24 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 31.97 2yrl s PRO 99 CO 0.66 -0.59 0.24 0.45 0.04 0.00 0.00 177.00 177.80 2yrl s SER 100 N -1.42 -0.19 -0.35 6.66 0.15 -1.26 -5.10 113.70 112.20 2yrl s SER 100 Ca 0.65 0.29 -0.27 0.00 0.70 0.00 0.00 55.95 57.31 2yrl s SER 100 Cb -0.28 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.39 2yrl s SER 100 CO 0.34 -0.21 2.32 -0.24 1.20 0.00 0.00 173.24 176.64 2yrl n SER 101 N 2.33 2.81 0.00 5.45 2.88 -1.26 -5.30 113.62 120.53 2yrl n SER 101 Ca -0.16 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2yrl n SER 101 Cb 0.57 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42