#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 5.19 -0.18 1.61 1.04 -1.26 -5.12 113.70 114.98 2yrl s SER 2 Ca 0.00 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.27 2yrl s SER 2 Cb 0.00 -1.31 0.08 0.00 0.10 0.00 0.00 66.02 64.89 2yrl s SER 2 CO 0.00 0.20 0.39 -0.94 0.98 0.00 0.00 173.24 173.87 2yrl s SER 3 N -2.14 -0.25 0.00 7.02 1.04 -1.26 -5.15 113.70 112.97 2yrl s SER 3 Ca 0.25 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2yrl s SER 3 Cb -0.12 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2yrl s SER 3 CO 0.17 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2yrl n GLY 4 N 5.03 -1.75 3.76 7.32 0.00 -1.26 -5.13 105.19 113.16 2yrl n GLY 4 Ca -0.13 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.76 5.93 -0.21 1.61 0.01 -1.26 -4.96 113.70 112.05 2yrl s SER 5 Ca 0.00 2.65 -0.03 0.00 1.31 0.00 0.00 55.95 59.88 2yrl s SER 5 Cb 0.00 -2.63 -0.20 0.00 0.21 0.00 0.00 66.02 63.40 2yrl s SER 5 CO 0.00 -1.11 -0.02 -1.20 0.41 0.00 0.00 173.24 171.31 2yrl n SER 6 N -0.37 2.02 -1.84 2.44 7.64 -1.26 -5.09 113.62 117.16 2yrl n SER 6 Ca 0.06 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.96 2yrl n SER 6 Cb 0.45 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 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 2.06 -3.81 2.10 0.23 0.00 -1.26 -4.80 105.19 99.71 2yrl n GLY 7 Ca -0.41 0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.62 0.95 -1.48 1.61 6.02 -1.26 -4.19 117.38 119.65 2yrl n GLN 8 Ca -0.14 -2.15 -0.39 0.00 -0.01 0.00 0.00 57.00 54.31 2yrl n GLN 8 Cb 0.21 0.91 0.03 0.00 1.02 0.00 0.00 30.24 32.41 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yrl n ALA 9 N -1.91 -1.03 -3.35 -1.58 0.00 -1.24 -3.96 120.51 107.44 2yrl n ALA 9 Ca -0.11 0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 2yrl n ALA 9 Cb 0.38 -1.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 2yrl n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yrl n ASP 10 N 0.56 2.50 -0.47 0.00 9.92 -1.26 -4.75 116.55 123.06 2yrl n ASP 10 Ca 0.11 -3.18 0.38 0.00 -0.53 0.00 0.00 54.79 51.58 2yrl n ASP 10 Cb 0.45 -0.66 0.62 0.00 -0.64 0.00 0.00 41.12 40.89 2yrl n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yrl n ALA 11 N 1.07 1.31 0.00 2.24 0.00 -1.26 -4.74 120.51 119.12 2yrl n ALA 11 Ca 0.27 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2yrl n ALA 11 Cb 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.55 2.31 3.70 0.00 0.00 -1.26 -4.57 105.19 103.82 2yrl n GLY 12 Ca 0.36 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.86 0.89 0.36 1.61 0.04 -1.26 -4.82 135.00 129.97 2yrl s PRO 13 Ca 0.00 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 61.47 2yrl s PRO 13 Cb 0.00 -1.78 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 2yrl s PRO 13 CO 0.00 -2.46 1.06 -0.40 0.04 0.00 0.00 177.00 175.24 2yrl n ASP 14 N -4.01 1.55 -4.68 6.66 5.75 -1.26 -4.79 116.55 115.77 2yrl n ASP 14 Ca 0.06 1.12 -0.35 0.00 -0.01 0.00 0.00 54.79 55.61 2yrl n ASP 14 Cb 0.56 -1.36 -0.09 0.00 -1.03 0.00 0.00 41.12 39.20 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 -1.83 3.43 -0.28 0.11 -0.14 0.28 -5.01 119.74 116.30 2yrl s LYS 15 Ca 0.60 -0.36 -0.01 0.00 -1.36 0.00 0.00 55.97 54.84 2yrl s LYS 15 Cb -0.61 -2.99 0.09 0.00 -1.68 0.00 0.00 37.83 32.64 2yrl s LYS 15 CO 0.59 0.53 0.08 -2.00 -0.76 0.00 0.00 175.35 173.79 2yrl s GLU 16 N -0.39 0.75 0.13 1.68 2.12 -1.25 -0.06 118.70 121.67 2yrl s GLU 16 Ca 0.08 -0.92 0.03 0.00 0.36 0.00 0.00 54.97 54.52 2yrl s GLU 16 Cb -0.12 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 2yrl s GLU 16 CO 0.02 -0.89 0.17 -0.51 -0.54 0.00 0.00 175.26 173.51 2yrl s LEU 17 N 1.66 4.01 -0.16 2.70 1.43 -0.66 -4.99 118.68 122.66 2yrl s LEU 17 Ca 0.07 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2yrl s LEU 17 Cb -0.17 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.48 2yrl s LEU 17 CO -0.21 0.10 -0.00 -0.89 0.23 0.00 0.00 176.35 175.58 2yrl s THR 18 N -1.65 0.71 0.92 5.49 2.01 -1.26 -0.24 115.64 121.62 2yrl s THR 18 Ca 0.32 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.70 2yrl s THR 18 Cb -0.11 -1.03 -0.12 0.00 0.01 0.00 0.00 72.50 71.25 2yrl s THR 18 CO 0.25 -0.00 -0.48 0.18 -0.69 0.00 0.00 174.62 173.88 2yrl n LEU 19 N 5.00 -4.55 0.00 4.42 7.99 -0.78 -2.38 117.00 126.70 2yrl n LEU 19 Ca -0.10 0.28 0.07 0.00 -0.01 0.00 0.00 56.01 56.26 2yrl n LEU 19 Cb 0.48 -0.86 0.38 0.00 -0.11 0.00 0.00 43.42 43.31 2yrl n LEU 19 CO 0.14 -5.40 0.69 -0.81 -1.51 0.00 0.00 177.39 170.50 2yrl n PRO 20 N 1.60 0.25 -1.53 3.23 -0.04 -1.26 -3.86 135.00 133.39 2yrl n PRO 20 Ca 0.01 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.40 2yrl n PRO 20 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.24 -0.00 -1.77 0.52 0.31 -1.00 -4.73 118.33 110.41 2yrl n VAL 21 Ca 0.08 -0.49 -0.32 0.00 -0.01 0.00 0.00 64.34 63.60 2yrl n VAL 21 Cb 0.11 -1.05 0.05 0.00 -0.91 0.00 0.00 33.84 32.03 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 12.17 6.54 -3.65 4.52 5.68 -1.26 -4.24 116.55 136.31 2yrl n ASP 22 Ca 0.57 -3.78 -0.10 0.00 -0.50 0.00 0.00 54.79 50.98 2yrl n ASP 22 Cb 0.28 -0.75 -0.08 0.00 -1.14 0.00 0.00 41.12 39.43 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2yrl s SER 23 N -2.40 -0.80 0.27 -1.12 1.04 -1.26 -1.62 113.70 107.80 2yrl s SER 23 Ca 0.57 1.38 0.02 0.00 0.48 0.00 0.00 55.95 58.40 2yrl s SER 23 Cb 0.46 1.31 -0.04 0.00 0.10 0.00 0.00 66.02 67.85 2yrl s SER 23 CO -0.09 -0.23 0.16 0.28 0.98 0.00 0.00 173.24 174.33 2yrl s THR 24 N 1.10 0.22 -0.08 2.02 -1.32 -1.05 -5.01 115.64 111.51 2yrl s THR 24 Ca -0.06 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.46 2yrl s THR 24 Cb -0.05 -2.53 -0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2yrl s THR 24 CO -0.11 0.00 -0.22 0.42 -2.21 0.00 0.00 174.62 172.50 2yrl s THR 25 N -3.78 1.88 -0.78 5.08 -4.23 -1.26 -2.37 115.64 110.18 2yrl s THR 25 Ca 0.38 -0.94 -0.05 0.00 -1.18 0.00 0.00 61.69 59.90 2yrl s THR 25 Cb 0.06 -1.62 0.20 0.00 1.34 0.00 0.00 72.50 72.47 2yrl s THR 25 CO 0.16 0.52 0.65 -0.76 -0.54 0.00 0.00 174.62 174.66 2yrl s LEU 26 N 0.22 5.70 0.04 4.79 1.43 0.50 -4.97 118.68 126.39 2yrl s LEU 26 Ca -0.13 -3.15 -0.26 0.00 -1.03 0.00 0.00 54.13 49.56 2yrl s LEU 26 Cb -0.16 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2yrl s LEU 26 CO 0.06 -0.34 0.83 -0.62 0.23 0.00 0.00 176.35 176.51 2yrl s ASP 27 N 0.74 7.27 -0.27 2.29 2.15 -1.26 -2.48 116.67 125.11 2yrl s ASP 27 Ca 0.21 1.52 0.21 0.00 0.43 0.00 0.00 52.55 54.92 2yrl s ASP 27 Cb -0.14 -2.50 0.50 0.00 -0.30 0.00 0.00 42.92 40.48 2yrl s ASP 27 CO -0.07 -0.05 1.10 0.61 -0.17 0.00 0.00 175.17 176.58 2yrl n GLY 28 N 2.52 2.15 0.13 2.66 0.00 -1.20 -4.58 105.19 106.86 2yrl n GLY 28 Ca -0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 2.62 -0.21 -0.04 1.61 4.64 -1.90 -3.00 113.55 117.27 2yrl h SER 29 Ca -0.09 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 60.96 2yrl h SER 29 Cb 1.28 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.35 2yrl h SER 29 CO 0.27 -0.04 -0.31 0.29 -0.87 0.00 0.00 176.83 176.16 2yrl n LYS 30 N -5.14 1.89 -1.43 4.77 5.02 -1.26 -4.55 118.16 117.47 2yrl n LYS 30 Ca -0.09 -0.93 -0.31 0.00 -2.02 0.00 0.00 58.31 54.96 2yrl n LYS 30 Cb 0.16 -1.88 0.04 0.00 -0.02 0.00 0.00 35.03 33.33 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2yrl n SER 31 N 2.32 7.21 -3.63 4.39 3.41 -1.14 -4.15 113.62 122.03 2yrl n SER 31 Ca 0.38 -3.56 -0.05 0.00 -0.26 0.00 0.00 58.87 55.38 2yrl n SER 31 Cb 0.86 -1.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 2yrl n SER 31 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yrl s SER 32 N -0.87 -0.18 -0.19 4.04 0.15 -1.25 -3.68 113.70 111.73 2yrl s SER 32 Ca 0.54 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.40 2yrl s SER 32 Cb 0.42 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 2yrl s SER 32 CO -0.15 -0.12 -0.03 -0.62 1.20 0.00 0.00 173.24 173.52 2yrl s ASP 33 N -0.62 4.69 -1.37 5.45 2.15 -1.26 -4.57 116.67 121.15 2yrl s ASP 33 Ca 0.05 -0.21 -0.13 0.00 0.43 0.00 0.00 52.55 52.68 2yrl s ASP 33 Cb -0.02 -1.79 0.11 0.00 -0.30 0.00 0.00 42.92 40.92 2yrl s ASP 33 CO -0.07 0.09 0.54 0.47 -0.17 0.00 0.00 175.17 176.03 2yrl n ASP 34 N 4.07 -3.07 -3.11 -0.34 8.00 -1.26 -4.89 116.55 115.95 2yrl n ASP 34 Ca -0.17 -0.60 -0.14 0.00 0.71 0.00 0.00 54.79 54.58 2yrl n ASP 34 Cb 0.52 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.03 2yrl n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2yrl s GLN 35 N -6.35 2.01 0.04 -1.24 -0.21 -1.26 -5.18 119.66 107.47 2yrl s GLN 35 Ca 0.52 -1.76 0.08 0.00 0.02 0.00 0.00 55.36 54.23 2yrl s GLN 35 Cb -0.29 0.47 -0.03 0.00 1.00 0.00 0.00 33.01 34.17 2yrl s GLN 35 CO 0.64 -0.85 -0.23 0.21 -2.12 0.00 0.00 175.29 172.94 2yrl s LYS 36 N -2.84 1.60 0.49 2.91 2.20 -1.26 -4.90 119.74 117.95 2yrl s LYS 36 Ca 0.29 -1.00 -0.19 0.00 -0.36 0.00 0.00 55.97 54.70 2yrl s LYS 36 Cb -0.01 -1.73 -0.09 0.00 -1.51 0.00 0.00 37.83 34.49 2yrl s LYS 36 CO 0.20 0.45 1.00 0.42 -0.36 0.00 0.00 175.35 177.06 2yrl s ILE 37 N -0.78 4.13 -0.03 5.43 -1.09 -1.26 -4.30 121.20 123.30 2yrl s ILE 37 Ca 0.09 1.23 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 2yrl s ILE 37 Cb -0.09 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2yrl s ILE 37 CO 0.02 -0.39 -0.01 0.00 -1.23 0.00 0.00 174.94 173.33 2yrl n ILE 38 N -1.11 0.22 -4.02 2.92 0.13 0.24 -4.89 119.36 112.85 2yrl n ILE 38 Ca 0.08 -0.11 -0.10 0.00 -1.10 0.00 0.00 62.75 61.52 2yrl n ILE 38 Cb 0.53 -0.78 -0.07 0.00 -0.84 0.00 0.00 39.64 38.48 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 2yrl s SER 39 N -3.87 0.05 -0.01 9.51 0.15 -1.22 -4.94 113.70 113.38 2yrl s SER 39 Ca -0.03 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2yrl s SER 39 Cb 0.01 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2yrl s SER 39 CO 0.11 -0.92 -0.01 -0.31 1.20 0.00 0.00 173.24 173.31 2yrl s TYR 40 N -4.01 0.13 -0.03 3.44 2.02 -1.26 -3.54 117.35 114.10 2yrl s TYR 40 Ca 0.22 -0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 56.89 2yrl s TYR 40 Cb 0.03 -0.13 0.01 0.00 -0.40 0.00 0.00 41.96 41.48 2yrl s TYR 40 CO 0.04 -0.02 0.07 -1.17 -1.57 0.00 0.00 175.55 172.90 2yrl s LEU 41 N 0.18 1.73 -0.16 -1.29 2.96 -1.07 -4.05 118.68 116.97 2yrl s LEU 41 Ca -0.01 0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2yrl s LEU 41 Cb -0.03 0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.96 2yrl s LEU 41 CO -0.01 -0.03 0.07 0.26 -1.32 0.00 0.00 176.35 175.32 2yrl s TRP 42 N -0.01 0.43 0.03 5.38 0.52 -0.84 -2.91 118.94 121.55 2yrl s TRP 42 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.67 2yrl s TRP 42 Cb -0.01 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.52 2yrl s TRP 42 CO 0.00 -0.51 0.02 -1.21 0.02 0.00 0.00 176.95 175.27 2yrl s GLU 43 N 2.06 0.46 -0.27 4.98 2.02 -1.17 -4.80 118.70 121.98 2yrl s GLU 43 Ca 0.01 -0.73 -0.23 0.00 0.02 0.00 0.00 54.97 54.05 2yrl s GLU 43 Cb -0.16 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 2yrl s GLU 43 CO -0.08 -0.09 0.74 0.21 0.02 0.00 0.00 175.26 176.06 2yrl s LYS 44 N -2.19 4.09 -0.03 1.61 2.20 -1.26 -0.91 119.74 123.24 2yrl s LYS 44 Ca -0.09 0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 2yrl s LYS 44 Cb -0.04 -3.67 -0.29 0.00 -1.51 0.00 0.00 37.83 32.32 2yrl s LYS 44 CO -0.03 -0.52 0.71 1.79 -0.36 0.00 0.00 175.35 176.94 2yrl h THR 45 N 5.47 0.98 -3.89 3.43 1.35 -0.59 -3.48 112.91 116.19 2yrl h THR 45 Ca -0.25 -2.62 -0.33 0.00 -0.55 0.00 0.00 66.41 62.66 2yrl h THR 45 Cb 1.11 2.71 -0.15 0.00 -1.73 0.00 0.00 68.15 70.09 2yrl h THR 45 CO 0.84 0.83 -0.62 -1.10 -0.25 0.00 0.00 175.52 175.22 2yrl s GLN 46 N -2.59 1.37 0.00 4.72 -0.21 -1.11 -5.01 119.66 116.83 2yrl s GLN 46 Ca -0.13 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 53.51 2yrl s GLN 46 Cb 0.06 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.88 2yrl s GLN 46 CO 0.84 -0.30 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 2yrl n GLY 47 N -0.43 1.65 3.60 3.09 0.00 -1.25 -2.71 105.19 109.14 2yrl n GLY 47 Ca 0.00 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.16 3.43 0.13 1.61 0.04 -1.26 -4.95 135.00 131.84 2yrl s PRO 48 Ca 0.00 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 2yrl s PRO 48 Cb 0.00 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.29 2yrl s PRO 48 CO 0.00 -1.74 1.85 0.16 0.04 0.00 0.00 177.00 177.31 2yrl s ASP 49 N 5.41 6.41 0.00 6.66 1.47 -1.26 -4.36 116.67 130.99 2yrl s ASP 49 Ca 0.75 2.78 0.00 0.00 1.18 0.00 0.00 52.55 57.26 2yrl s ASP 49 Cb -0.21 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.81 2yrl s ASP 49 CO 0.33 -1.02 0.00 0.61 0.68 0.00 0.00 175.17 175.77 2yrl n GLY 50 N 4.27 0.10 3.71 2.12 0.00 -1.26 -5.15 105.19 108.97 2yrl n GLY 50 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 2.71 -0.23 1.61 -7.23 -1.26 -4.95 120.40 111.06 2yrl s VAL 51 Ca 0.00 0.23 0.02 0.00 -1.81 0.00 0.00 61.98 60.42 2yrl s VAL 51 Cb 0.00 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.35 2yrl s VAL 51 CO 0.00 -0.30 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.24 2yrl s GLN 52 N -4.86 2.57 -0.21 4.82 -1.52 0.76 -4.93 119.66 116.29 2yrl s GLN 52 Ca 0.64 -1.12 -0.18 0.00 -1.95 0.00 0.00 55.36 52.74 2yrl s GLN 52 Cb -0.19 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 29.82 2yrl s GLN 52 CO 0.57 -0.41 0.50 -0.51 -0.25 0.00 0.00 175.29 175.19 2yrl s LEU 53 N 1.18 4.14 -0.03 2.90 1.43 -1.26 -0.43 118.68 126.60 2yrl s LEU 53 Ca -0.03 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2yrl s LEU 53 Cb -0.17 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2yrl s LEU 53 CO -0.08 -0.18 0.07 -0.70 0.23 0.00 0.00 176.35 175.69 2yrl s GLU 54 N 1.66 3.08 -1.53 1.70 -6.30 0.11 -4.47 118.70 112.94 2yrl s GLU 54 Ca 0.23 -0.44 -0.14 0.00 -2.50 0.00 0.00 54.97 52.12 2yrl s GLU 54 Cb -0.15 -2.87 0.09 0.00 0.00 0.00 0.00 34.13 31.19 2yrl s GLU 54 CO 0.09 0.67 0.97 0.09 0.02 0.00 0.00 175.26 177.11 2yrl n ASN 55 N 1.45 -4.85 0.26 -1.70 3.02 -1.26 -1.93 115.26 110.26 2yrl n ASN 55 Ca -0.15 -0.76 0.08 0.00 -0.03 0.00 0.00 54.58 53.72 2yrl n ASN 55 Cb 0.53 -3.87 0.65 0.00 -0.61 0.00 0.00 39.78 36.48 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 1.98 -0.34 5.41 0.00 -1.86 -1.01 119.26 124.42 2yrl h ALA 56 Ca -0.58 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 2yrl h ALA 56 Cb 1.37 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2yrl h ALA 56 CO 0.67 -0.00 0.19 -1.71 0.00 0.00 0.00 179.25 178.40 2yrl n ASN 57 N -4.52 3.17 -4.27 0.00 4.05 -1.26 -1.98 115.26 110.45 2yrl n ASN 57 Ca -0.03 -2.55 -0.15 0.00 0.45 0.00 0.00 54.58 52.31 2yrl n ASN 57 Cb 0.09 -0.61 -0.10 0.00 1.23 0.00 0.00 39.78 40.38 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2yrl s SER 58 N 0.02 1.65 0.18 1.20 0.01 -0.38 -4.63 113.70 111.75 2yrl s SER 58 Ca 0.21 -1.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.19 2yrl s SER 58 Cb 0.18 0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.56 2yrl s SER 58 CO 0.05 -0.45 1.64 0.77 0.41 0.00 0.00 173.24 175.66 2yrl h SER 59 N 2.66 -0.54 -3.28 2.44 4.64 -1.89 -3.40 113.55 114.19 2yrl h SER 59 Ca -0.37 0.15 -0.64 0.00 -0.47 0.00 0.00 61.79 60.46 2yrl h SER 59 Cb 1.20 0.33 -0.17 0.00 -0.31 0.00 0.00 62.40 63.45 2yrl h SER 59 CO 0.64 -0.19 -0.61 -0.69 -0.87 0.00 0.00 176.83 175.11 2yrl s VAL 60 N -6.19 4.40 0.23 0.95 1.01 -1.26 -3.26 120.40 116.28 2yrl s VAL 60 Ca -0.14 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.77 2yrl s VAL 60 Cb 0.16 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2yrl s VAL 60 CO 0.71 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 176.12 2yrl s ALA 61 N -0.07 2.65 -0.13 5.51 0.00 -1.03 -4.76 121.76 123.93 2yrl s ALA 61 Ca 0.04 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.28 2yrl s ALA 61 Cb -0.13 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2yrl s ALA 61 CO 0.02 0.37 -0.05 0.99 0.00 0.00 0.00 175.76 177.09 2yrl s THR 62 N -1.99 0.90 -0.13 0.00 2.01 -0.81 -0.37 115.64 115.25 2yrl s THR 62 Ca 0.25 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 2yrl s THR 62 Cb -0.07 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 2yrl s THR 62 CO 0.12 0.24 0.23 -0.69 -0.69 0.00 0.00 174.62 173.83 2yrl s VAL 63 N 1.74 5.35 0.05 3.82 1.01 -1.00 0.04 120.40 131.41 2yrl s VAL 63 Ca 0.03 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.49 2yrl s VAL 63 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2yrl s VAL 63 CO -0.08 0.50 -0.19 0.42 0.00 0.00 0.00 175.10 175.76 2yrl s THR 64 N -0.24 1.51 0.00 3.92 -4.23 0.42 -2.54 115.64 114.49 2yrl s THR 64 Ca 0.15 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2yrl s THR 64 Cb -0.13 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.37 2yrl s THR 64 CO 0.04 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2yrl n GLY 65 N 1.73 0.66 3.87 3.99 0.00 -0.64 -0.17 105.19 114.63 2yrl n GLY 65 Ca -0.18 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.95 4.18 0.05 0.99 1.43 -1.17 -4.24 118.68 118.98 2yrl s LEU 66 Ca 0.00 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2yrl s LEU 66 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2yrl s LEU 66 CO 0.00 -0.06 -0.04 0.00 0.23 0.00 0.00 176.35 176.49 2yrl s GLN 67 N -2.73 0.60 -0.91 1.70 -2.07 -1.26 -4.77 119.66 110.22 2yrl s GLN 67 Ca 0.46 -1.12 -0.29 0.00 -1.82 0.00 0.00 55.36 52.59 2yrl s GLN 67 Cb -0.12 0.11 -0.20 0.00 -1.09 0.00 0.00 33.01 31.72 2yrl s GLN 67 CO 0.21 -0.08 2.63 0.28 -1.32 0.00 0.00 175.29 177.01 2yrl n VAL 68 N 0.38 -0.02 -0.58 3.63 0.31 -1.26 -4.72 118.33 116.07 2yrl n VAL 68 Ca -0.16 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2yrl n VAL 68 Cb 0.60 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 6.38 -1.24 3.64 2.92 0.00 -1.26 -5.02 105.19 110.62 2yrl n GLY 69 Ca 0.61 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.19 5.32 -0.19 2.61 2.01 -1.26 -3.55 115.64 118.39 2yrl s THR 70 Ca 0.00 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2yrl s THR 70 Cb 0.00 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 69.00 2yrl s THR 70 CO 0.00 0.30 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.78 2yrl s TYR 71 N 1.29 2.67 -0.36 4.92 2.02 -0.96 -3.81 117.35 123.12 2yrl s TYR 71 Ca 0.09 -1.68 -0.07 0.00 -0.37 0.00 0.00 57.07 55.04 2yrl s TYR 71 Cb -0.14 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2yrl s TYR 71 CO 0.07 -0.78 0.14 0.08 -1.57 0.00 0.00 175.55 173.49 2yrl s VAL 72 N 1.32 3.85 -0.23 0.71 1.01 -1.10 -1.47 120.40 124.49 2yrl s VAL 72 Ca 0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 2yrl s VAL 72 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2yrl s VAL 72 CO -0.10 -0.28 0.07 -0.36 0.00 0.00 0.00 175.10 174.42 2yrl s PHE 73 N 1.39 3.12 -0.03 5.22 0.08 -1.19 0.22 117.98 126.79 2yrl s PHE 73 Ca 0.00 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 2yrl s PHE 73 Cb -0.20 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 2yrl s PHE 73 CO 0.02 -0.23 0.39 0.99 -0.10 0.00 0.00 175.22 176.29 2yrl s THR 74 N 1.28 5.09 -0.33 0.64 2.01 -0.09 -1.84 115.64 122.41 2yrl s THR 74 Ca 0.05 0.79 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 2yrl s THR 74 Cb -0.15 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.71 2yrl s THR 74 CO 0.03 0.55 0.08 -0.22 -0.69 0.00 0.00 174.62 174.37 2yrl s LEU 75 N -0.85 4.18 -0.41 4.42 2.96 0.49 -3.03 118.68 126.44 2yrl s LEU 75 Ca 0.23 -1.14 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 2yrl s LEU 75 Cb -0.16 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.74 2yrl s LEU 75 CO 0.12 -0.30 0.28 -0.89 -1.32 0.00 0.00 176.35 174.24 2yrl s THR 76 N 1.37 4.80 0.08 3.68 2.01 -1.14 -2.87 115.64 123.57 2yrl s THR 76 Ca -0.02 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2yrl s THR 76 Cb -0.19 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2yrl s THR 76 CO 0.02 -0.38 -0.18 0.68 -0.69 0.00 0.00 174.62 174.06 2yrl s VAL 77 N 1.58 2.80 0.33 3.82 -7.23 -1.26 -2.59 120.40 117.85 2yrl s VAL 77 Ca 0.03 -1.36 0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2yrl s VAL 77 Cb -0.21 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2yrl s VAL 77 CO 0.07 0.21 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.44 2yrl s LYS 78 N -1.82 1.89 0.38 4.82 1.02 -1.23 -2.16 119.74 122.64 2yrl s LYS 78 Ca 0.16 -1.83 0.04 0.00 0.02 0.00 0.00 55.97 54.36 2yrl s LYS 78 Cb -0.11 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2yrl s LYS 78 CO 0.08 0.19 0.11 -0.51 -0.92 0.00 0.00 175.35 174.30 2yrl s ASP 79 N -3.62 2.59 0.54 2.83 1.11 -1.20 0.82 116.67 119.74 2yrl s ASP 79 Ca 0.33 -1.59 0.32 0.00 0.18 0.00 0.00 52.55 51.79 2yrl s ASP 79 Cb -0.00 0.36 1.49 0.00 1.07 0.00 0.00 42.92 45.84 2yrl s ASP 79 CO 0.17 -0.85 1.87 -0.33 1.18 0.00 0.00 175.17 177.21 2yrl h GLU 80 N 1.90 0.00 -0.82 8.23 5.08 -1.91 0.92 114.58 127.98 2yrl h GLU 80 Ca -0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 2yrl h GLU 80 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 2yrl h GLU 80 CO 0.60 0.00 0.10 0.54 -1.00 0.00 0.00 179.01 179.25 2yrl n ARG 81 N -4.20 2.86 -2.02 2.33 1.74 -1.26 -4.86 116.66 111.25 2yrl n ARG 81 Ca 0.19 -1.80 -0.12 0.00 -0.77 0.00 0.00 57.85 55.35 2yrl n ARG 81 Cb 1.00 -1.88 -0.02 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.15 -3.53 -4.60 0.55 3.02 0.32 -4.84 115.26 106.33 2yrl n ASN 82 Ca 0.21 0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 54.57 2yrl n ASN 82 Cb 0.90 -3.12 -0.03 0.00 -0.61 0.00 0.00 39.78 36.92 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 -4.81 3.50 -0.38 3.41 1.43 -1.25 -4.75 118.68 115.82 2yrl s LEU 83 Ca 0.00 1.17 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 2yrl s LEU 83 Cb 0.00 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.80 2yrl s LEU 83 CO 0.00 -1.73 0.79 -1.58 0.23 0.00 0.00 176.35 174.06 2yrl s GLN 84 N 5.67 3.68 0.54 1.70 0.74 -1.26 -3.27 119.66 127.46 2yrl s GLN 84 Ca 0.76 0.23 0.07 0.00 0.05 0.00 0.00 55.36 56.48 2yrl s GLN 84 Cb -0.21 -3.84 0.05 0.00 1.10 0.00 0.00 33.01 30.11 2yrl s GLN 84 CO 0.32 -0.91 0.53 0.45 -0.55 0.00 0.00 175.29 175.13 2yrl s SER 85 N 1.91 4.85 -0.23 6.67 0.15 -0.92 -5.02 113.70 121.11 2yrl s SER 85 Ca 0.31 -1.05 -0.21 0.00 0.70 0.00 0.00 55.95 55.71 2yrl s SER 85 Cb -0.13 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 2yrl s SER 85 CO 0.18 -1.12 0.61 -1.58 1.20 0.00 0.00 173.24 172.53 2yrl s GLN 86 N -4.39 0.71 -0.30 5.44 0.74 -1.26 -4.02 119.66 116.58 2yrl s GLN 86 Ca 0.45 0.87 -0.08 0.00 0.05 0.00 0.00 55.36 56.64 2yrl s GLN 86 Cb -0.04 0.33 0.15 0.00 1.10 0.00 0.00 33.01 34.56 2yrl s GLN 86 CO 0.28 -0.09 0.70 -1.12 -0.55 0.00 0.00 175.29 174.51 2yrl s SER 87 N 0.40 -1.11 0.06 6.67 0.01 -1.14 -4.70 113.70 113.90 2yrl s SER 87 Ca -0.01 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2yrl s SER 87 Cb -0.04 2.14 -0.04 0.00 0.21 0.00 0.00 66.02 68.28 2yrl s SER 87 CO -0.00 -0.21 0.21 -0.44 0.41 0.00 0.00 173.24 173.20 2yrl s SER 88 N 2.83 6.32 -0.01 2.44 0.01 -1.26 -0.38 113.70 123.66 2yrl s SER 88 Ca 0.03 0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.61 2yrl s SER 88 Cb -0.12 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 2yrl s SER 88 CO -0.19 0.17 -0.23 0.54 0.41 0.00 0.00 173.24 173.93 2yrl s VAL 89 N -1.51 1.85 -0.39 3.43 0.11 -0.76 -4.89 120.40 118.24 2yrl s VAL 89 Ca 0.35 -1.03 -0.24 0.00 -2.93 0.00 0.00 61.98 58.13 2yrl s VAL 89 Cb -0.13 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.19 2yrl s VAL 89 CO 0.28 0.50 0.84 0.20 -3.33 0.00 0.00 175.10 173.58 2yrl s ASN 90 N -0.61 6.56 -0.42 3.54 0.01 -1.26 -3.19 114.94 119.56 2yrl s ASN 90 Ca 0.09 0.32 -0.08 0.00 -0.71 0.00 0.00 52.86 52.48 2yrl s ASN 90 Cb -0.09 -2.42 0.09 0.00 0.41 0.00 0.00 41.25 39.24 2yrl s ASN 90 CO -0.01 -0.83 0.26 -0.69 -1.51 0.00 0.00 177.10 174.33 2yrl s VAL 91 N 3.30 4.07 -0.17 1.60 1.01 -0.54 -0.55 120.40 129.11 2yrl s VAL 91 Ca 0.34 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2yrl s VAL 91 Cb -0.12 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2yrl s VAL 91 CO 0.19 -0.56 0.14 -0.63 0.00 0.00 0.00 175.10 174.24 2yrl s ILE 92 N 1.37 5.43 -0.11 2.22 1.01 0.91 -2.26 121.20 129.78 2yrl s ILE 92 Ca 0.04 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2yrl s ILE 92 Cb -0.23 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2yrl s ILE 92 CO 0.01 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.62 2yrl s VAL 93 N -0.08 3.11 0.39 2.92 1.01 -1.23 -1.66 120.40 124.86 2yrl s VAL 93 Ca 0.11 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2yrl s VAL 93 Cb -0.11 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 2yrl s VAL 93 CO 0.00 0.54 0.03 -0.54 0.00 0.00 0.00 175.10 175.13 2yrl s LYS 94 N 0.02 2.01 0.15 2.72 3.01 0.67 -4.21 119.74 124.11 2yrl s LYS 94 Ca -0.04 -1.96 -0.06 0.00 -1.01 0.00 0.00 55.97 52.90 2yrl s LYS 94 Cb -0.14 -1.77 -0.06 0.00 -1.01 0.00 0.00 37.83 34.84 2yrl s LYS 94 CO 0.04 0.00 0.41 -1.21 0.51 0.00 0.00 175.35 175.10 2yrl s GLU 95 N -3.73 3.66 0.45 1.68 2.02 -1.26 -1.87 118.70 119.65 2yrl s GLU 95 Ca 0.36 0.00 -0.19 0.00 0.02 0.00 0.00 54.97 55.16 2yrl s GLU 95 Cb 0.06 -2.83 -0.15 0.00 0.10 0.00 0.00 34.13 31.31 2yrl s GLU 95 CO 0.19 0.45 -0.04 -1.91 0.02 0.00 0.00 175.26 173.97 2yrl n GLU 96 N 0.12 0.00 -3.14 1.61 2.13 -1.25 -4.74 120.64 115.38 2yrl n GLU 96 Ca -0.02 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.62 2yrl n GLU 96 Cb 0.52 -0.97 0.01 0.00 0.27 0.00 0.00 31.44 31.26 2yrl n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2yrl s SER 97 N -0.97 5.75 0.00 4.31 1.04 -1.26 -5.03 113.70 117.53 2yrl s SER 97 Ca 0.56 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2yrl s SER 97 Cb -0.54 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 64.73 2yrl s SER 97 CO 0.63 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2yrl n GLY 98 N -1.80 -0.71 3.75 7.32 0.00 -1.26 -4.94 105.19 107.54 2yrl n GLY 98 Ca 0.05 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.43 4.42 0.07 1.61 0.04 -1.26 -4.94 135.00 132.51 2yrl s PRO 99 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2yrl s PRO 99 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2yrl s PRO 99 CO 0.00 -0.16 0.00 0.43 0.04 0.00 0.00 177.00 177.31 2yrl n SER 100 N 1.92 0.57 -4.53 6.66 7.64 -1.26 -4.98 113.62 119.64 2yrl n SER 100 Ca 0.03 0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 2yrl n SER 100 Cb 0.43 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 2yrl n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yrl s SER 101 N -5.52 6.38 0.00 6.43 1.04 -1.26 -5.31 113.70 115.45 2yrl s SER 101 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2yrl s SER 101 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2yrl s SER 101 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69