#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrl s SER 2 N 0.00 4.05 -0.57 1.61 1.04 -1.26 -5.09 113.70 113.48 2yrl s SER 2 Ca 0.00 -0.55 -0.18 0.00 0.48 0.00 0.00 55.95 55.69 2yrl s SER 2 Cb 0.00 -0.62 0.10 0.00 0.10 0.00 0.00 66.02 65.60 2yrl s SER 2 CO 0.00 0.15 0.65 -0.44 0.98 0.00 0.00 173.24 174.58 2yrl s SER 3 N -2.37 6.19 0.00 7.02 0.01 -1.26 -4.76 113.70 118.53 2yrl s SER 3 Ca 0.21 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2yrl s SER 3 Cb -0.10 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2yrl s SER 3 CO 0.12 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2yrl n GLY 4 N 5.26 0.81 3.28 3.44 0.00 -1.26 -4.93 105.19 111.79 2yrl n GLY 4 Ca -0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrl s SER 5 N -4.00 0.06 -0.77 1.61 1.04 -1.26 -5.11 113.70 105.26 2yrl s SER 5 Ca 0.00 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 2yrl s SER 5 Cb 0.00 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.71 2yrl s SER 5 CO 0.00 -0.82 0.62 -0.55 0.98 0.00 0.00 173.24 173.46 2yrl s SER 6 N -2.91 5.49 -1.05 7.02 0.15 -1.26 -4.96 113.70 116.17 2yrl s SER 6 Ca 0.11 -3.52 -0.02 0.00 0.70 0.00 0.00 55.95 53.22 2yrl s SER 6 Cb 0.04 -1.83 0.31 0.00 -1.71 0.00 0.00 66.02 62.83 2yrl s SER 6 CO -0.05 -0.21 1.79 0.61 1.20 0.00 0.00 173.24 176.58 2yrl n GLY 7 N 2.56 5.93 2.80 9.45 0.00 -1.26 -4.80 105.19 119.86 2yrl n GLY 7 Ca 0.17 -2.57 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 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 0.29 2.76 -3.33 1.61 3.00 -1.26 -4.82 117.38 115.63 2yrl n GLN 8 Ca 0.44 -3.25 0.02 0.00 -0.01 0.00 0.00 57.00 54.20 2yrl n GLN 8 Cb 0.27 -2.25 -0.04 0.00 0.00 0.00 0.00 30.24 28.23 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 -3.45 -2.87 -0.20 -1.58 0.00 -1.14 -4.71 121.76 107.81 2yrl s ALA 9 Ca 0.53 1.93 0.01 0.00 0.00 0.00 0.00 51.96 54.43 2yrl s ALA 9 Cb 0.42 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 21.43 2yrl s ALA 9 CO -0.36 -1.04 -0.08 0.34 0.00 0.00 0.00 175.76 174.63 2yrl s ASP 10 N 2.49 3.40 -0.53 0.00 2.15 -1.13 -4.69 116.67 118.35 2yrl s ASP 10 Ca -0.01 -0.92 0.01 0.00 0.43 0.00 0.00 52.55 52.05 2yrl s ASP 10 Cb -0.06 -1.15 0.51 0.00 -0.30 0.00 0.00 42.92 41.92 2yrl s ASP 10 CO -0.17 -0.18 1.96 0.00 -0.17 0.00 0.00 175.17 176.61 2yrl n ALA 11 N 4.72 5.84 -1.32 3.66 0.00 -1.26 -4.39 120.51 127.77 2yrl n ALA 11 Ca -0.13 -3.00 0.16 0.00 0.00 0.00 0.00 53.44 50.46 2yrl n ALA 11 Cb 0.46 -1.59 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.88 -3.36 1.46 0.00 0.00 -1.26 -4.68 105.19 96.47 2yrl n GLY 12 Ca 0.57 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2yrl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrl n PRO 13 N -4.10 -1.92 -1.37 1.61 -0.04 -1.26 -4.82 135.00 123.11 2yrl n PRO 13 Ca -0.09 -0.73 -0.36 0.00 -0.04 0.00 0.00 63.50 62.29 2yrl n PRO 13 Cb 0.62 -0.68 0.09 0.00 -0.04 0.00 0.00 33.50 33.49 2yrl n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2yrl n ASP 14 N -3.78 0.66 -4.05 3.54 5.68 -1.26 -4.73 116.55 112.60 2yrl n ASP 14 Ca 0.06 0.67 -0.29 0.00 -0.50 0.00 0.00 54.79 54.74 2yrl n ASP 14 Cb 0.24 -1.43 -0.17 0.00 -1.14 0.00 0.00 41.12 38.63 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 -3.40 2.26 -0.30 0.11 -0.14 -0.28 -5.01 119.74 112.98 2yrl s LYS 15 Ca 0.74 -0.57 0.01 0.00 -1.36 0.00 0.00 55.97 54.79 2yrl s LYS 15 Cb -0.34 -1.96 0.09 0.00 -1.68 0.00 0.00 37.83 33.94 2yrl s LYS 15 CO 0.49 -0.10 0.06 -2.00 -0.76 0.00 0.00 175.35 173.04 2yrl s GLU 16 N 1.11 1.11 0.27 1.68 2.12 -1.26 0.47 118.70 124.20 2yrl s GLU 16 Ca -0.04 -1.31 0.05 0.00 0.36 0.00 0.00 54.97 54.03 2yrl s GLU 16 Cb -0.14 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 2yrl s GLU 16 CO -0.04 -0.90 0.40 -0.51 -0.54 0.00 0.00 175.26 173.67 2yrl s LEU 17 N 1.35 4.23 -0.14 2.70 1.43 -0.81 -4.94 118.68 122.49 2yrl s LEU 17 Ca 0.07 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2yrl s LEU 17 Cb -0.18 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.20 2yrl s LEU 17 CO -0.16 -0.16 0.01 -0.89 0.23 0.00 0.00 176.35 175.38 2yrl s THR 18 N -2.05 0.51 0.95 5.49 2.01 -1.26 -0.01 115.64 121.29 2yrl s THR 18 Ca 0.37 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 2yrl s THR 18 Cb -0.09 -0.85 -0.14 0.00 0.01 0.00 0.00 72.50 71.43 2yrl s THR 18 CO 0.30 0.01 -0.68 0.18 -0.69 0.00 0.00 174.62 173.75 2yrl n LEU 19 N 5.08 -5.48 0.00 4.42 7.99 -1.17 -2.49 117.00 125.34 2yrl n LEU 19 Ca -0.08 0.23 0.08 0.00 -0.01 0.00 0.00 56.01 56.22 2yrl n LEU 19 Cb 0.48 -0.80 0.42 0.00 -0.11 0.00 0.00 43.42 43.42 2yrl n LEU 19 CO 0.12 -5.80 0.68 -0.81 -1.51 0.00 0.00 177.39 170.08 2yrl n PRO 20 N 2.16 0.37 -1.54 3.23 -0.04 -1.26 -4.28 135.00 133.64 2yrl n PRO 20 Ca -0.01 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2yrl n PRO 20 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.04 -1.96 0.52 0.31 -1.04 -4.75 118.33 110.25 2yrl n VAL 21 Ca 0.10 -0.55 -0.27 0.00 -0.01 0.00 0.00 64.34 63.61 2yrl n VAL 21 Cb 0.08 -1.86 0.03 0.00 -0.91 0.00 0.00 33.84 31.17 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 14.70 5.43 -3.66 4.52 5.75 -1.26 -4.21 116.55 137.81 2yrl n ASP 22 Ca 0.48 -3.76 -0.09 0.00 -0.01 0.00 0.00 54.79 51.42 2yrl n ASP 22 Cb 0.38 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 39.91 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 -3.24 -0.77 0.13 -1.12 1.04 -1.26 -2.23 113.70 106.25 2yrl s SER 23 Ca 0.53 1.28 -0.01 0.00 0.48 0.00 0.00 55.95 58.23 2yrl s SER 23 Cb 0.43 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 67.69 2yrl s SER 23 CO -0.01 -0.22 0.05 0.28 0.98 0.00 0.00 173.24 174.32 2yrl s THR 24 N 1.34 0.14 -0.16 2.02 -1.32 -1.04 -5.02 115.64 111.60 2yrl s THR 24 Ca -0.08 -1.91 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 2yrl s THR 24 Cb -0.06 -2.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.95 2yrl s THR 24 CO -0.14 -0.51 -0.19 0.42 -2.21 0.00 0.00 174.62 171.99 2yrl s THR 25 N -4.02 1.93 -0.93 5.08 -4.23 -1.26 -1.66 115.64 110.55 2yrl s THR 25 Ca 0.23 -0.87 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 2yrl s THR 25 Cb 0.07 -1.75 0.18 0.00 1.34 0.00 0.00 72.50 72.35 2yrl s THR 25 CO 0.01 0.52 1.01 -0.76 -0.54 0.00 0.00 174.62 174.86 2yrl s LEU 26 N 1.25 5.87 -0.18 4.79 1.43 0.63 -4.93 118.68 127.54 2yrl s LEU 26 Ca 0.03 -2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 50.33 2yrl s LEU 26 Cb -0.13 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 2yrl s LEU 26 CO -0.10 -0.76 0.87 1.51 0.23 0.00 0.00 176.35 178.09 2yrl s ASP 27 N 2.75 6.98 -0.16 2.29 1.47 -1.26 -2.64 116.67 126.10 2yrl s ASP 27 Ca 0.27 1.21 0.16 0.00 1.18 0.00 0.00 52.55 55.37 2yrl s ASP 27 Cb -0.07 -2.47 0.59 0.00 -0.34 0.00 0.00 42.92 40.62 2yrl s ASP 27 CO -0.08 -0.44 1.50 0.61 0.68 0.00 0.00 175.17 177.43 2yrl n GLY 28 N 3.45 3.49 0.35 2.12 0.00 0.29 -4.48 105.19 110.40 2yrl n GLY 28 Ca 0.06 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.20 2yrl n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yrl h SER 29 N 2.59 -1.00 -0.30 1.61 4.64 -1.88 0.38 113.55 119.60 2yrl h SER 29 Ca 0.00 0.29 -0.24 0.00 -0.47 0.00 0.00 61.79 61.36 2yrl h SER 29 Cb 1.46 0.62 -0.09 0.00 -0.31 0.00 0.00 62.40 64.08 2yrl h SER 29 CO 0.25 -0.31 -0.06 0.29 -0.87 0.00 0.00 176.83 176.14 2yrl n LYS 30 N -5.56 1.89 -0.02 4.77 4.76 -1.26 -4.41 118.16 118.33 2yrl n LYS 30 Ca 0.13 -1.19 -0.16 0.00 -2.87 0.00 0.00 58.31 54.22 2yrl n LYS 30 Cb 0.45 -1.81 -0.09 0.00 -1.84 0.00 0.00 35.03 31.74 2yrl n LYS 30 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2yrl h SER 31 N 2.48 0.56 -4.82 4.39 0.87 -0.43 -3.40 113.55 113.20 2yrl h SER 31 Ca 0.21 -0.67 -0.16 0.00 -1.23 0.00 0.00 61.79 59.94 2yrl h SER 31 Cb 1.18 -0.17 -0.22 0.00 -0.44 0.00 0.00 62.40 62.75 2yrl h SER 31 CO 0.39 1.15 -0.58 -0.94 -0.53 0.00 0.00 176.83 176.32 2yrl s SER 32 N -6.65 0.08 0.22 6.23 1.04 -1.26 -2.84 113.70 110.53 2yrl s SER 32 Ca -0.13 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 2yrl s SER 32 Cb 0.05 0.17 0.33 0.00 0.10 0.00 0.00 66.02 66.67 2yrl s SER 32 CO 0.82 -0.30 1.75 -2.24 0.98 0.00 0.00 173.24 174.25 2yrl h ASP 33 N 4.63 0.31 -1.99 7.02 2.03 -1.94 -3.44 116.42 123.05 2yrl h ASP 33 Ca -0.30 0.08 -0.55 0.00 -0.73 0.00 0.00 57.03 55.52 2yrl h ASP 33 Cb 1.20 0.04 0.23 0.00 -0.83 0.00 0.00 39.33 39.97 2yrl h ASP 33 CO 0.41 0.17 -1.76 0.47 -1.03 0.00 0.00 179.24 177.50 2yrl n ASP 34 N -4.95 -5.69 -0.30 4.15 8.00 -1.26 -4.77 116.55 111.73 2yrl n ASP 34 Ca 0.11 0.25 -0.02 0.00 0.71 0.00 0.00 54.79 55.83 2yrl n ASP 34 Cb 0.30 -0.77 0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2yrl n ASP 34 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2yrl h GLN 35 N -0.85 -0.06 -1.64 -1.24 4.20 -2.02 -3.45 115.11 110.04 2yrl h GLN 35 Ca -0.43 0.00 0.28 0.00 0.06 0.00 0.00 58.65 58.56 2yrl h GLN 35 Cb 1.31 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.99 2yrl h GLN 35 CO 0.26 -0.04 0.75 -1.59 -0.67 0.00 0.00 178.83 177.54 2yrl s LYS 36 N -6.00 0.55 -0.07 1.46 -2.85 -1.26 -5.07 119.74 106.50 2yrl s LYS 36 Ca -0.14 -0.29 -0.02 0.00 -1.00 0.00 0.00 55.97 54.51 2yrl s LYS 36 Cb 0.19 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2yrl s LYS 36 CO 0.71 -0.25 0.05 0.42 0.10 0.00 0.00 175.35 176.38 2yrl s ILE 37 N -2.61 4.65 -0.40 3.79 1.01 -1.26 -4.79 121.20 121.59 2yrl s ILE 37 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.61 2yrl s ILE 37 Cb 0.03 -3.02 0.37 0.00 0.01 0.00 0.00 42.46 39.85 2yrl s ILE 37 CO -0.03 0.54 1.31 2.30 0.00 0.00 0.00 174.94 179.06 2yrl n ILE 38 N 1.84 1.78 -3.65 2.92 -5.35 -1.25 -4.82 119.36 110.83 2yrl n ILE 38 Ca -0.17 -0.84 -0.13 0.00 -0.27 0.00 0.00 62.75 61.34 2yrl n ILE 38 Cb 0.54 -0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 37.78 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 -0.25 -0.72 -0.17 7.28 0.15 -1.26 -4.97 113.70 113.76 2yrl s SER 39 Ca 0.28 1.36 -0.07 0.00 0.70 0.00 0.00 55.95 58.22 2yrl s SER 39 Cb 0.22 1.37 0.07 0.00 -1.71 0.00 0.00 66.02 65.97 2yrl s SER 39 CO 0.07 -0.23 0.38 -0.31 1.20 0.00 0.00 173.24 174.34 2yrl s TYR 40 N 0.49 -0.64 0.00 3.44 2.02 -1.26 -4.25 117.35 117.16 2yrl s TYR 40 Ca -0.01 1.30 0.01 0.00 -0.37 0.00 0.00 57.07 58.00 2yrl s TYR 40 Cb -0.05 0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 41.72 2yrl s TYR 40 CO -0.01 -0.40 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.36 2yrl s LEU 41 N 2.12 2.05 -0.09 -1.29 2.96 -1.14 -3.83 118.68 119.46 2yrl s LEU 41 Ca -0.04 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2yrl s LEU 41 Cb -0.11 -0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.45 2yrl s LEU 41 CO -0.12 -0.00 -0.00 0.26 -1.32 0.00 0.00 176.35 175.17 2yrl s TRP 42 N -0.31 0.82 -0.01 5.38 0.52 -0.08 -3.10 118.94 122.16 2yrl s TRP 42 Ca -0.01 -0.33 -0.04 0.00 0.02 0.00 0.00 56.10 55.74 2yrl s TRP 42 Cb -0.03 -0.89 -0.00 0.00 -1.15 0.00 0.00 33.47 31.41 2yrl s TRP 42 CO -0.00 -0.39 0.08 -1.21 0.02 0.00 0.00 176.95 175.45 2yrl s GLU 43 N 1.92 0.28 -0.31 4.98 2.02 -1.14 -4.80 118.70 121.66 2yrl s GLU 43 Ca 0.04 -0.21 -0.25 0.00 0.02 0.00 0.00 54.97 54.57 2yrl s GLU 43 Cb -0.13 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.22 2yrl s GLU 43 CO -0.06 -0.06 0.85 0.21 0.02 0.00 0.00 175.26 176.22 2yrl s LYS 44 N -0.77 3.96 -0.15 1.61 2.20 -1.26 -1.23 119.74 124.11 2yrl s LYS 44 Ca -0.09 0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 55.94 2yrl s LYS 44 Cb -0.05 -3.74 -0.22 0.00 -1.51 0.00 0.00 37.83 32.31 2yrl s LYS 44 CO 0.00 -0.74 0.58 1.79 -0.36 0.00 0.00 175.35 176.63 2yrl h THR 45 N 5.64 1.44 -1.30 3.43 1.35 -0.89 -3.48 112.91 119.10 2yrl h THR 45 Ca -0.24 -2.16 -0.63 0.00 -0.55 0.00 0.00 66.41 62.83 2yrl h THR 45 Cb 1.09 2.80 -0.13 0.00 -1.73 0.00 0.00 68.15 70.18 2yrl h THR 45 CO 0.92 0.49 -0.51 -1.10 -0.25 0.00 0.00 175.52 175.06 2yrl s GLN 46 N -2.18 2.09 0.00 4.72 -0.21 -1.04 -5.01 119.66 118.04 2yrl s GLN 46 Ca -0.19 -2.32 0.00 0.00 0.02 0.00 0.00 55.36 52.88 2yrl s GLN 46 Cb -0.01 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.86 2yrl s GLN 46 CO 0.59 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 2yrl n GLY 47 N -1.12 1.67 3.62 3.09 0.00 -1.25 -2.72 105.19 108.47 2yrl n GLY 47 Ca -0.14 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.25 3.62 0.26 1.61 0.04 -1.26 -4.96 135.00 132.06 2yrl s PRO 48 Ca 0.00 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 2yrl s PRO 48 Cb 0.00 -4.09 -0.12 0.00 0.04 0.00 0.00 34.50 30.33 2yrl s PRO 48 CO 0.00 -1.51 1.57 -3.47 0.04 0.00 0.00 177.00 173.62 2yrl n ASP 49 N 9.10 3.54 0.00 6.66 -0.08 -1.26 -4.27 116.55 130.23 2yrl n ASP 49 Ca 0.20 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.61 2yrl n ASP 49 Cb 0.46 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.39 2yrl n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yrl n GLY 50 N 2.53 2.05 3.14 0.27 0.00 -1.26 -5.15 105.19 106.77 2yrl n GLY 50 Ca 0.11 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.95 1.61 0.24 -1.26 -4.99 118.33 109.99 2yrl n VAL 51 Ca 0.00 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 2yrl n VAL 51 Cb 0.00 -0.31 -0.16 0.00 -1.47 0.00 0.00 33.84 31.89 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 -2.75 1.79 -0.18 7.34 -0.21 0.03 -4.95 119.66 120.73 2yrl s GLN 52 Ca 0.46 -0.52 -0.14 0.00 0.02 0.00 0.00 55.36 55.19 2yrl s GLN 52 Cb -0.01 -1.99 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 2yrl s GLN 52 CO 0.66 -0.34 0.30 -0.51 -2.12 0.00 0.00 175.29 173.29 2yrl s LEU 53 N 1.57 4.21 0.01 2.90 1.43 -1.26 -0.96 118.68 126.59 2yrl s LEU 53 Ca 0.03 0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 2yrl s LEU 53 Cb -0.14 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2yrl s LEU 53 CO -0.09 0.06 -0.21 -1.61 0.23 0.00 0.00 176.35 174.73 2yrl s GLU 54 N 0.69 2.10 -1.79 1.70 2.02 -0.02 -4.61 118.70 118.79 2yrl s GLU 54 Ca 0.16 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2yrl s GLU 54 Cb -0.13 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2yrl s GLU 54 CO 0.05 0.56 0.00 0.09 0.02 0.00 0.00 175.26 175.97 2yrl n ASN 55 N 1.98 -5.47 0.16 -0.19 3.02 -1.26 -2.05 115.26 111.44 2yrl n ASN 55 Ca -0.16 0.15 0.18 0.00 -0.03 0.00 0.00 54.58 54.72 2yrl n ASN 55 Cb 0.52 -4.65 0.72 0.00 -0.61 0.00 0.00 39.78 35.76 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 0.75 1.92 -0.36 5.41 0.00 -1.86 0.42 119.26 125.54 2yrl h ALA 56 Ca -0.45 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2yrl h ALA 56 Cb 1.32 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2yrl h ALA 56 CO 0.56 -0.64 0.16 0.09 0.00 0.00 0.00 179.25 179.42 2yrl n ASN 57 N -3.37 3.24 -4.27 0.00 3.02 -1.26 -0.90 115.26 111.72 2yrl n ASN 57 Ca 0.05 -2.58 -0.15 0.00 -0.03 0.00 0.00 54.58 51.88 2yrl n ASN 57 Cb 0.62 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.17 1.38 0.51 6.41 0.15 0.15 -4.65 113.70 117.48 2yrl s SER 58 Ca 0.25 -1.19 0.18 0.00 0.70 0.00 0.00 55.95 55.89 2yrl s SER 58 Cb 0.20 0.09 1.28 0.00 -1.71 0.00 0.00 66.02 65.88 2yrl s SER 58 CO 0.06 -0.55 2.12 0.77 1.20 0.00 0.00 173.24 176.84 2yrl h SER 59 N 2.63 0.00 -3.62 5.45 4.64 -1.89 -3.39 113.55 117.37 2yrl h SER 59 Ca -0.37 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.28 2yrl h SER 59 Cb 1.21 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.96 2yrl h SER 59 CO 0.63 0.05 -0.77 -0.69 -0.87 0.00 0.00 176.83 175.18 2yrl s VAL 60 N -4.88 2.56 0.15 0.95 1.01 -1.26 -0.55 120.40 118.38 2yrl s VAL 60 Ca -0.05 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.71 2yrl s VAL 60 Cb 0.16 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2yrl s VAL 60 CO 0.66 0.11 0.06 0.00 0.00 0.00 0.00 175.10 175.92 2yrl s ALA 61 N 1.23 3.38 -0.14 5.51 0.00 -1.08 -4.78 121.76 125.89 2yrl s ALA 61 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2yrl s ALA 61 Cb -0.18 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2yrl s ALA 61 CO -0.05 0.54 -0.12 0.99 0.00 0.00 0.00 175.76 177.12 2yrl s THR 62 N -1.66 1.38 -0.27 0.00 2.01 -0.87 -0.26 115.64 115.96 2yrl s THR 62 Ca 0.29 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 2yrl s THR 62 Cb -0.10 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 2yrl s THR 62 CO 0.21 0.42 0.09 -0.69 -0.69 0.00 0.00 174.62 173.95 2yrl s VAL 63 N 1.56 4.33 0.37 3.82 1.01 -0.67 -0.84 120.40 129.99 2yrl s VAL 63 Ca 0.05 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2yrl s VAL 63 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2yrl s VAL 63 CO -0.10 0.24 0.20 0.42 0.00 0.00 0.00 175.10 175.86 2yrl s THR 64 N 1.60 2.80 -0.44 3.92 -4.23 -0.13 -2.49 115.64 116.66 2yrl s THR 64 Ca 0.05 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 2yrl s THR 64 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2yrl s THR 64 CO 0.04 -0.10 0.37 0.61 -0.54 0.00 0.00 174.62 174.99 2yrl n GLY 65 N -1.25 0.46 3.81 3.99 0.00 -1.00 -0.79 105.19 110.41 2yrl n GLY 65 Ca -0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.98 4.34 0.05 0.99 1.43 -0.95 -4.24 118.68 117.32 2yrl s LEU 66 Ca 0.18 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 2yrl s LEU 66 Cb -0.08 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2yrl s LEU 66 CO 0.22 0.02 -0.07 -1.10 0.23 0.00 0.00 176.35 175.66 2yrl s GLN 67 N -1.98 0.55 -0.71 1.70 -0.21 -1.26 -4.72 119.66 113.03 2yrl s GLN 67 Ca 0.44 -0.85 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 2yrl s GLN 67 Cb -0.17 -0.21 -0.18 0.00 1.00 0.00 0.00 33.01 33.45 2yrl s GLN 67 CO 0.21 0.02 2.17 0.28 -2.12 0.00 0.00 175.29 175.86 2yrl n VAL 68 N 1.19 0.00 -3.32 1.09 0.31 -1.26 -4.69 118.33 111.65 2yrl n VAL 68 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2yrl n VAL 68 Cb 0.56 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 6.00 -1.25 3.44 2.92 0.00 -1.25 -4.99 105.19 110.07 2yrl n GLY 69 Ca 0.54 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.00 3.56 -0.11 2.61 -4.23 -1.26 -2.65 115.64 110.55 2yrl s THR 70 Ca 0.00 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2yrl s THR 70 Cb 0.00 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.32 2yrl s THR 70 CO 0.00 0.50 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.14 2yrl s TYR 71 N 0.38 1.84 -0.37 3.99 1.51 -0.90 -3.92 117.35 119.89 2yrl s TYR 71 Ca -0.07 -0.89 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 2yrl s TYR 71 Cb -0.15 -1.37 0.07 0.00 -0.11 0.00 0.00 41.96 40.40 2yrl s TYR 71 CO 0.04 -0.49 0.14 0.08 -1.11 0.00 0.00 175.55 174.21 2yrl s VAL 72 N 1.18 3.56 -0.26 0.71 1.01 -1.10 -1.64 120.40 123.85 2yrl s VAL 72 Ca -0.03 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.37 2yrl s VAL 72 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2yrl s VAL 72 CO -0.04 -0.37 0.08 -0.36 0.00 0.00 0.00 175.10 174.41 2yrl s PHE 73 N 1.30 3.10 0.14 5.22 0.08 -1.21 -0.12 117.98 126.48 2yrl s PHE 73 Ca 0.01 -0.54 -0.13 0.00 0.12 0.00 0.00 56.93 56.40 2yrl s PHE 73 Cb -0.21 -2.25 -0.07 0.00 -0.57 0.00 0.00 43.02 39.92 2yrl s PHE 73 CO -0.00 -0.41 0.51 0.99 -0.10 0.00 0.00 175.22 176.21 2yrl s THR 74 N 1.59 4.92 -0.23 0.64 2.01 -0.36 -2.42 115.64 121.80 2yrl s THR 74 Ca 0.06 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2yrl s THR 74 Cb -0.16 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.70 2yrl s THR 74 CO 0.03 0.23 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.85 2yrl s LEU 75 N -2.02 2.90 -0.26 4.42 2.96 0.17 -2.86 118.68 124.00 2yrl s LEU 75 Ca 0.37 -1.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 2yrl s LEU 75 Cb -0.14 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 2yrl s LEU 75 CO 0.19 -0.15 0.08 -0.89 -1.32 0.00 0.00 176.35 174.26 2yrl s THR 76 N 1.21 4.24 0.04 3.68 2.01 -1.18 -2.33 115.64 123.31 2yrl s THR 76 Ca -0.04 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.67 2yrl s THR 76 Cb -0.18 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2yrl s THR 76 CO -0.07 0.26 -0.11 0.68 -0.69 0.00 0.00 174.62 174.69 2yrl s VAL 77 N 1.59 0.82 -0.24 3.82 -7.23 -1.18 -2.88 120.40 115.10 2yrl s VAL 77 Ca 0.05 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 2yrl s VAL 77 Cb -0.16 -0.80 0.04 0.00 0.56 0.00 0.00 36.38 36.03 2yrl s VAL 77 CO 0.03 -0.19 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.96 2yrl s LYS 78 N -1.35 2.53 1.06 4.82 1.02 -1.26 -2.45 119.74 124.11 2yrl s LYS 78 Ca -0.04 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 54.62 2yrl s LYS 78 Cb -0.09 -2.81 0.24 0.00 -0.52 0.00 0.00 37.83 34.66 2yrl s LYS 78 CO 0.01 -0.44 1.27 0.16 -0.92 0.00 0.00 175.35 175.43 2yrl s ASP 79 N 1.18 2.24 0.66 2.83 1.47 -1.23 -3.90 116.67 119.92 2yrl s ASP 79 Ca -0.04 0.31 0.29 0.00 1.18 0.00 0.00 52.55 54.29 2yrl s ASP 79 Cb -0.18 -0.35 1.60 0.00 -0.34 0.00 0.00 42.92 43.66 2yrl s ASP 79 CO -0.07 -3.28 1.91 -0.08 0.68 0.00 0.00 175.17 174.33 2yrl h GLU 80 N -2.02 0.00 0.00 2.11 4.57 -1.95 0.60 114.58 117.89 2yrl h GLU 80 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2yrl h GLU 80 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2yrl h GLU 80 CO 0.33 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.70 2yrl n ARG 81 N -2.98 0.97 -1.94 1.92 5.12 -1.26 -4.85 116.66 113.64 2yrl n ARG 81 Ca -0.01 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 2yrl n ARG 81 Cb 0.41 -1.18 -0.03 0.00 -1.16 0.00 0.00 32.46 30.50 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 -0.68 -3.85 -4.70 0.55 3.02 0.21 -4.92 115.26 104.89 2yrl n ASN 82 Ca 0.08 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.51 2yrl n ASN 82 Cb 0.04 -3.41 -0.07 0.00 -0.61 0.00 0.00 39.78 35.73 2yrl n ASN 82 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2yrl s LEU 83 N -4.77 4.20 -0.17 3.41 0.05 -1.26 -4.92 118.68 115.22 2yrl s LEU 83 Ca 0.00 0.52 -0.24 0.00 0.05 0.00 0.00 54.13 54.46 2yrl s LEU 83 Cb 0.00 -2.45 -0.02 0.00 -2.05 0.00 0.00 46.19 41.67 2yrl s LEU 83 CO 0.00 0.02 0.75 -1.58 -0.55 0.00 0.00 176.35 174.99 2yrl s GLN 84 N 0.86 4.27 0.21 1.48 -0.44 -1.26 -3.56 119.66 121.23 2yrl s GLN 84 Ca 0.18 0.87 0.11 0.00 -2.50 0.00 0.00 55.36 54.02 2yrl s GLN 84 Cb -0.14 -3.57 -0.05 0.00 -1.64 0.00 0.00 33.01 27.62 2yrl s GLN 84 CO 0.06 -0.27 -0.22 0.45 0.50 0.00 0.00 175.29 175.80 2yrl s SER 85 N 1.15 3.51 -0.03 6.67 0.15 -1.02 -5.01 113.70 119.12 2yrl s SER 85 Ca 0.35 -0.89 0.03 0.00 0.70 0.00 0.00 55.95 56.14 2yrl s SER 85 Cb -0.16 -0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2yrl s SER 85 CO 0.12 0.10 -0.12 -1.58 1.20 0.00 0.00 173.24 172.96 2yrl s GLN 86 N -2.89 1.23 -0.21 5.44 0.74 -1.26 -3.09 119.66 119.63 2yrl s GLN 86 Ca 0.23 -0.43 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 2yrl s GLN 86 Cb -0.07 -1.12 0.10 0.00 1.10 0.00 0.00 33.01 33.02 2yrl s GLN 86 CO 0.11 0.18 0.26 0.45 -0.55 0.00 0.00 175.29 175.74 2yrl s SER 87 N 0.06 1.07 0.01 6.67 0.15 -0.98 -4.90 113.70 115.77 2yrl s SER 87 Ca -0.02 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 2yrl s SER 87 Cb -0.09 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2yrl s SER 87 CO 0.01 -0.31 0.22 -0.44 1.20 0.00 0.00 173.24 173.91 2yrl s SER 88 N 2.38 6.41 0.13 5.45 0.01 -1.26 -0.65 113.70 126.16 2yrl s SER 88 Ca 0.08 0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.83 2yrl s SER 88 Cb -0.15 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2yrl s SER 88 CO -0.13 0.23 -0.23 0.54 0.41 0.00 0.00 173.24 174.07 2yrl s VAL 89 N -1.37 1.99 -0.41 3.43 0.11 -1.01 -4.89 120.40 118.25 2yrl s VAL 89 Ca 0.29 -1.74 -0.15 0.00 -2.93 0.00 0.00 61.98 57.45 2yrl s VAL 89 Cb -0.13 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 32.92 2yrl s VAL 89 CO 0.20 -0.06 0.33 0.20 -3.33 0.00 0.00 175.10 172.43 2yrl s ASN 90 N -2.19 6.13 -0.46 3.54 0.01 -1.26 -3.35 114.94 117.37 2yrl s ASN 90 Ca 0.12 -0.83 -0.10 0.00 -0.71 0.00 0.00 52.86 51.34 2yrl s ASN 90 Cb -0.09 -2.17 0.10 0.00 0.41 0.00 0.00 41.25 39.50 2yrl s ASN 90 CO 0.06 -0.48 0.33 -0.69 -1.51 0.00 0.00 177.10 174.81 2yrl s VAL 91 N 1.79 4.36 -0.13 1.60 1.01 -0.65 -1.13 120.40 127.25 2yrl s VAL 91 Ca 0.07 -1.57 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 2yrl s VAL 91 Cb -0.18 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2yrl s VAL 91 CO 0.11 -0.67 0.26 -0.63 0.00 0.00 0.00 175.10 174.17 2yrl s ILE 92 N 1.42 5.32 -0.31 2.22 1.01 0.18 -2.12 121.20 128.92 2yrl s ILE 92 Ca 0.04 0.47 -0.07 0.00 0.00 0.00 0.00 60.65 61.10 2yrl s ILE 92 Cb -0.25 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2yrl s ILE 92 CO 0.01 0.47 0.09 -0.69 0.00 0.00 0.00 174.94 174.82 2yrl s VAL 93 N -0.09 3.89 0.75 2.92 1.01 -1.09 -1.93 120.40 125.86 2yrl s VAL 93 Ca 0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 2yrl s VAL 93 Cb -0.13 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.30 2yrl s VAL 93 CO 0.05 -0.02 1.03 -0.54 0.00 0.00 0.00 175.10 175.62 2yrl s LYS 94 N 1.46 1.60 0.32 2.72 -0.14 0.99 -3.75 119.74 122.94 2yrl s LYS 94 Ca 0.01 -0.93 0.07 0.00 -1.36 0.00 0.00 55.97 53.77 2yrl s LYS 94 Cb -0.18 -2.25 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 2yrl s LYS 94 CO 0.02 -1.54 0.27 -1.21 -0.76 0.00 0.00 175.35 172.14 2yrl s GLU 95 N -5.24 2.78 0.40 1.68 2.02 -1.26 -3.06 118.70 116.02 2yrl s GLU 95 Ca 0.66 -1.23 -0.25 0.00 0.02 0.00 0.00 54.97 54.17 2yrl s GLU 95 Cb -0.06 -2.50 -0.11 0.00 0.10 0.00 0.00 34.13 31.57 2yrl s GLU 95 CO 0.45 0.17 1.17 -1.91 0.02 0.00 0.00 175.26 175.16 2yrl n GLU 96 N -1.33 1.71 -4.00 1.61 0.00 -1.26 -4.55 120.64 112.82 2yrl n GLU 96 Ca -0.03 0.61 -0.31 0.00 0.00 0.00 0.00 57.16 57.43 2yrl n GLU 96 Cb 0.59 -2.23 -0.16 0.00 0.00 0.00 0.00 31.44 29.65 2yrl n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2yrl s SER 97 N -0.59 3.67 -0.17 4.31 0.01 -1.26 -5.04 113.70 114.63 2yrl s SER 97 Ca 0.61 -1.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 2yrl s SER 97 Cb -0.54 -1.28 0.12 0.00 0.21 0.00 0.00 66.02 64.52 2yrl s SER 97 CO 0.58 -0.17 0.97 -0.83 0.41 0.00 0.00 173.24 174.20 2yrl s GLY 98 N 1.34 -0.28 0.00 3.44 0.00 -1.26 -5.01 107.32 105.54 2yrl s GLY 98 Ca -0.03 2.06 0.15 0.00 0.00 0.00 0.00 44.72 46.89 2yrl s GLY 98 CO -0.07 1.16 1.40 -1.55 0.00 0.00 0.00 173.10 174.04 2yrl n PRO 99 N 1.01 0.23 -0.22 2.90 -0.04 -1.26 -4.04 135.00 133.58 2yrl n PRO 99 Ca -0.12 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2yrl n PRO 99 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2yrl n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrl n SER 100 N -1.26 -0.57 -3.27 3.54 2.88 -1.26 -4.63 113.62 109.06 2yrl n SER 100 Ca 0.07 1.23 0.03 0.00 -1.33 0.00 0.00 58.87 58.88 2yrl n SER 100 Cb 0.11 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 2yrl n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yrl s SER 101 N -4.58 -0.46 0.00 -3.46 0.15 -1.26 -5.31 113.70 98.79 2yrl s SER 101 Ca -0.06 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2yrl s SER 101 Cb 0.06 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2yrl s SER 101 CO 0.33 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.29