#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 0.86 -3.45 1.61 3.41 -1.26 -5.03 113.62 109.76 2yrl n SER 2 Ca 0.00 0.11 -0.24 0.00 -0.26 0.00 0.00 58.87 58.48 2yrl n SER 2 Cb 0.00 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 63.74 2yrl n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yrl n SER 3 N -3.41 -6.23 0.00 4.04 7.64 -1.26 -4.94 113.62 109.46 2yrl n SER 3 Ca -0.01 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2yrl n SER 3 Cb 0.16 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 2yrl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrl n GLY 4 N -1.86 2.65 3.66 0.23 0.00 -1.26 -5.11 105.19 103.50 2yrl n GLY 4 Ca -0.02 -0.07 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 2yrl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yrl n SER 5 N 0.00 3.28 -4.67 1.61 7.64 -1.26 -4.89 113.62 115.32 2yrl n SER 5 Ca 0.00 0.87 -0.43 0.00 1.01 0.00 0.00 58.87 60.33 2yrl n SER 5 Cb 0.00 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 2yrl n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yrl s SER 6 N 4.67 6.94 0.05 6.43 0.01 -1.26 -4.98 113.70 125.56 2yrl s SER 6 Ca 0.95 1.85 -0.28 0.00 1.31 0.00 0.00 55.95 59.78 2yrl s SER 6 Cb -0.70 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.07 2yrl s SER 6 CO 0.51 -0.71 0.95 -0.83 0.41 0.00 0.00 173.24 173.57 2yrl s GLY 7 N 1.92 -0.36 0.42 3.44 0.00 -1.26 -5.12 107.32 106.36 2yrl s GLY 7 Ca 0.58 0.67 0.03 0.00 0.00 0.00 0.00 44.72 46.00 2yrl s GLY 7 CO 0.20 0.20 0.10 0.61 0.00 0.00 0.00 173.10 174.21 2yrl n GLN 8 N -0.34 0.66 -1.39 2.90 10.64 -1.26 -4.80 117.38 123.79 2yrl n GLN 8 Ca -0.07 -3.39 -0.48 0.00 -1.83 0.00 0.00 57.00 51.23 2yrl n GLN 8 Cb 0.61 1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 31.52 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2yrl n ALA 9 N -1.23 -2.88 -3.29 2.61 0.00 -1.26 -2.42 120.51 112.04 2yrl n ALA 9 Ca -0.17 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 2yrl n ALA 9 Cb 0.60 -1.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 2.02 3.30 -0.45 0.00 9.92 -1.26 -4.70 116.55 125.38 2yrl n ASP 10 Ca 0.17 -3.37 0.37 0.00 -0.53 0.00 0.00 54.79 51.44 2yrl n ASP 10 Cb 0.26 -0.64 0.62 0.00 -0.64 0.00 0.00 41.12 40.72 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 0.70 1.27 0.00 2.24 0.00 -1.26 -4.78 120.51 118.68 2yrl n ALA 11 Ca 0.29 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.47 2yrl n ALA 11 Cb 0.43 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.51 1.91 3.58 0.00 0.00 -1.26 -4.71 105.19 103.20 2yrl n GLY 12 Ca 0.36 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.66 -1.58 0.57 1.61 0.04 -1.26 -4.81 135.00 127.91 2yrl s PRO 13 Ca 0.00 -0.20 -0.21 0.00 0.04 0.00 0.00 61.00 60.64 2yrl s PRO 13 Cb 0.00 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2yrl s PRO 13 CO 0.00 -3.92 1.30 0.16 0.04 0.00 0.00 177.00 174.57 2yrl s ASP 14 N -4.00 5.21 -0.19 6.66 -4.77 -1.26 -4.70 116.67 113.62 2yrl s ASP 14 Ca 0.72 2.62 -0.02 0.00 -3.30 0.00 0.00 52.55 52.57 2yrl s ASP 14 Cb -0.08 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.12 2yrl s ASP 14 CO 0.56 -1.60 -0.08 -0.54 0.70 0.00 0.00 175.17 174.21 2yrl s LYS 15 N -3.06 3.38 -0.28 2.11 -0.14 0.54 -5.01 119.74 117.28 2yrl s LYS 15 Ca 0.74 -0.65 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 2yrl s LYS 15 Cb -0.37 -2.86 0.08 0.00 -1.68 0.00 0.00 37.83 33.00 2yrl s LYS 15 CO 0.42 -0.04 0.00 -2.00 -0.76 0.00 0.00 175.35 172.97 2yrl s GLU 16 N 1.04 1.46 0.23 1.68 2.12 -1.26 -0.22 118.70 123.75 2yrl s GLU 16 Ca 0.00 -1.31 0.06 0.00 0.36 0.00 0.00 54.97 54.08 2yrl s GLU 16 Cb -0.15 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 2yrl s GLU 16 CO -0.01 -0.77 0.22 -0.51 -0.54 0.00 0.00 175.26 173.64 2yrl s LEU 17 N 1.26 3.92 -0.12 2.70 1.43 -0.80 -4.99 118.68 122.08 2yrl s LEU 17 Ca 0.02 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2yrl s LEU 17 Cb -0.19 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.60 2yrl s LEU 17 CO -0.10 -0.02 -0.04 -0.89 0.23 0.00 0.00 176.35 175.52 2yrl s THR 18 N -2.02 0.86 0.90 5.49 2.01 -1.26 -0.36 115.64 121.26 2yrl s THR 18 Ca 0.33 -0.30 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 2yrl s THR 18 Cb -0.09 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.35 2yrl s THR 18 CO 0.25 0.23 -0.25 0.18 -0.69 0.00 0.00 174.62 174.35 2yrl n LEU 19 N 4.98 -3.43 0.00 4.42 4.77 -0.60 -2.15 117.00 124.99 2yrl n LEU 19 Ca -0.11 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 2yrl n LEU 19 Cb 0.49 -0.94 0.40 0.00 -2.33 0.00 0.00 43.42 41.04 2yrl n LEU 19 CO 0.15 -4.93 0.69 -0.81 -1.33 0.00 0.00 177.39 171.16 2yrl n PRO 20 N 0.89 0.30 -1.53 3.23 -0.04 -1.26 -4.09 135.00 132.50 2yrl n PRO 20 Ca 0.03 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2yrl n PRO 20 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2yrl n PRO 20 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yrl n VAL 21 N -1.19 -0.01 -1.92 0.52 0.31 -0.91 -4.73 118.33 110.39 2yrl n VAL 21 Ca 0.09 -0.47 -0.28 0.00 -0.01 0.00 0.00 64.34 63.66 2yrl n VAL 21 Cb 0.10 -1.21 0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 12.54 5.77 -3.64 4.52 5.68 -1.26 -4.24 116.55 135.91 2yrl n ASP 22 Ca 0.56 -3.76 -0.10 0.00 -0.50 0.00 0.00 54.79 50.99 2yrl n ASP 22 Cb 0.29 -0.57 -0.07 0.00 -1.14 0.00 0.00 41.12 39.63 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 -2.97 -0.70 0.25 -1.12 1.04 -1.26 -1.46 113.70 107.49 2yrl s SER 23 Ca 0.54 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.21 2yrl s SER 23 Cb 0.43 1.27 -0.03 0.00 0.10 0.00 0.00 66.02 67.80 2yrl s SER 23 CO -0.05 -0.21 0.23 0.28 0.98 0.00 0.00 173.24 174.48 2yrl s THR 24 N 0.76 0.00 -0.20 2.02 -1.32 -1.00 -5.03 115.64 110.87 2yrl s THR 24 Ca -0.03 -1.90 0.01 0.00 -1.21 0.00 0.00 61.69 58.57 2yrl s THR 24 Cb -0.05 -2.48 0.04 0.00 -1.51 0.00 0.00 72.50 68.50 2yrl s THR 24 CO -0.08 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 172.62 2yrl s THR 25 N -3.88 1.86 -0.99 5.08 -4.23 -1.26 -2.55 115.64 109.66 2yrl s THR 25 Ca 0.37 -1.07 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 2yrl s THR 25 Cb 0.04 -1.84 0.14 0.00 1.34 0.00 0.00 72.50 72.19 2yrl s THR 25 CO 0.16 0.27 1.19 -0.76 -0.54 0.00 0.00 174.62 174.95 2yrl s LEU 26 N 1.32 5.08 -0.04 4.79 1.43 -0.56 -4.95 118.68 125.75 2yrl s LEU 26 Ca -0.00 -2.28 -0.28 0.00 -1.03 0.00 0.00 54.13 50.55 2yrl s LEU 26 Cb -0.16 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2yrl s LEU 26 CO -0.09 -0.98 0.89 -0.62 0.23 0.00 0.00 176.35 175.77 2yrl s ASP 27 N 3.43 7.22 0.00 2.29 2.15 -1.26 -2.81 116.67 127.68 2yrl s ASP 27 Ca 0.35 1.47 0.00 0.00 0.43 0.00 0.00 52.55 54.80 2yrl s ASP 27 Cb -0.04 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2yrl s ASP 27 CO -0.07 -0.24 0.57 0.61 -0.17 0.00 0.00 175.17 175.87 2yrl n GLY 28 N 3.01 -0.30 0.49 2.66 0.00 -0.57 -4.75 105.19 105.74 2yrl n GLY 28 Ca 0.04 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.46 2yrl n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrl n SER 29 N -0.12 0.14 -3.09 1.61 3.41 -1.26 -0.66 113.62 113.65 2yrl n SER 29 Ca 0.00 1.17 -0.34 0.00 -0.26 0.00 0.00 58.87 59.44 2yrl n SER 29 Cb 0.09 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 2yrl n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2yrl n LYS 30 N -4.33 3.72 -3.01 4.33 5.02 -1.26 -4.67 118.16 117.96 2yrl n LYS 30 Ca 0.38 -2.77 -0.41 0.00 -2.02 0.00 0.00 58.31 53.50 2yrl n LYS 30 Cb 1.55 -2.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2yrl s SER 31 N 0.84 6.86 -1.40 4.39 1.04 0.16 -4.02 113.70 121.57 2yrl s SER 31 Ca 0.59 1.05 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 2yrl s SER 31 Cb 0.24 -2.41 0.14 0.00 0.10 0.00 0.00 66.02 64.09 2yrl s SER 31 CO -0.11 -0.29 0.54 -1.54 0.98 0.00 0.00 173.24 172.81 2yrl n SER 32 N 4.86 -2.70 -4.22 7.02 3.41 -1.01 -0.55 113.62 120.43 2yrl n SER 32 Ca 0.01 -0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 57.63 2yrl n SER 32 Cb 0.50 -2.27 -0.07 0.00 -0.26 0.00 0.00 64.21 62.10 2yrl n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yrl n ASP 33 N -2.33 0.12 -3.64 4.04 8.00 -1.26 -4.79 116.55 116.70 2yrl n ASP 33 Ca 0.05 -1.18 -0.06 0.00 0.71 0.00 0.00 54.79 54.32 2yrl n ASP 33 Cb 0.49 -2.10 -0.06 0.00 -0.02 0.00 0.00 41.12 39.43 2yrl n ASP 33 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yrl s ASP 34 N -4.24 -0.97 -0.71 -2.24 2.15 0.28 -5.05 116.67 105.91 2yrl s ASP 34 Ca 0.11 1.50 -0.01 0.00 0.43 0.00 0.00 52.55 54.57 2yrl s ASP 34 Cb -0.06 1.55 0.42 0.00 -0.30 0.00 0.00 42.92 44.52 2yrl s ASP 34 CO 0.96 -0.23 1.98 0.00 -0.17 0.00 0.00 175.17 177.72 2yrl n GLN 35 N 4.50 2.76 -0.02 4.34 10.64 -1.26 -4.32 117.38 134.02 2yrl n GLN 35 Ca -0.18 -3.42 0.07 0.00 -1.83 0.00 0.00 57.00 51.63 2yrl n GLN 35 Cb 0.57 -2.28 -0.16 0.00 -0.86 0.00 0.00 30.24 27.51 2yrl n GLN 35 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2yrl n LYS 36 N -0.79 0.66 -1.61 2.61 3.00 -1.26 -4.99 118.16 115.79 2yrl n LYS 36 Ca 0.59 -0.16 -0.42 0.00 -0.00 0.00 0.00 58.31 58.32 2yrl n LYS 36 Cb 0.54 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.08 2yrl n LYS 36 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2yrl n ILE 37 N -2.29 2.22 -1.86 3.15 5.41 -1.26 -4.74 119.36 119.99 2yrl n ILE 37 Ca -0.08 -0.50 -0.03 0.00 1.00 0.00 0.00 62.75 63.14 2yrl n ILE 37 Cb 0.63 -1.16 0.13 0.00 -0.71 0.00 0.00 39.64 38.53 2yrl n ILE 37 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2yrl n ILE 38 N -0.17 2.04 -3.63 1.39 -0.00 -1.24 -5.02 119.36 112.73 2yrl n ILE 38 Ca 0.09 -3.29 -0.12 0.00 -0.00 0.00 0.00 62.75 59.43 2yrl n ILE 38 Cb 0.37 -0.30 -0.07 0.00 -0.00 0.00 0.00 39.64 39.64 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2yrl s SER 39 N -3.25 -0.71 -0.12 7.28 0.15 -1.25 -4.97 113.70 110.83 2yrl s SER 39 Ca 0.41 1.34 -0.05 0.00 0.70 0.00 0.00 55.95 58.34 2yrl s SER 39 Cb 0.38 1.35 0.06 0.00 -1.71 0.00 0.00 66.02 66.10 2yrl s SER 39 CO -0.05 -0.23 0.25 -0.31 1.20 0.00 0.00 173.24 174.11 2yrl s TYR 40 N 0.47 -0.38 -0.04 3.44 2.02 -1.26 -4.00 117.35 117.59 2yrl s TYR 40 Ca -0.00 0.89 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 2yrl s TYR 40 Cb -0.05 -0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.52 2yrl s TYR 40 CO -0.02 -0.30 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.43 2yrl s LEU 41 N 1.94 1.40 -0.15 -1.29 2.96 -1.22 -3.11 118.68 119.22 2yrl s LEU 41 Ca -0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2yrl s LEU 41 Cb -0.11 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.10 2yrl s LEU 41 CO -0.08 -0.04 -0.21 0.26 -1.32 0.00 0.00 176.35 174.96 2yrl s TRP 42 N 0.83 2.68 -0.08 5.38 0.52 -0.77 -2.56 118.94 124.93 2yrl s TRP 42 Ca -0.12 -1.42 -0.07 0.00 0.02 0.00 0.00 56.10 54.51 2yrl s TRP 42 Cb -0.14 -1.83 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 2yrl s TRP 42 CO 0.01 -0.67 0.21 -1.21 0.02 0.00 0.00 176.95 175.31 2yrl s GLU 43 N 0.96 0.25 -0.45 4.98 8.01 -1.02 -4.83 118.70 126.59 2yrl s GLU 43 Ca -0.03 0.27 -0.29 0.00 0.01 0.00 0.00 54.97 54.93 2yrl s GLU 43 Cb -0.15 0.12 0.03 0.00 -4.31 0.00 0.00 34.13 29.82 2yrl s GLU 43 CO -0.05 -0.03 1.13 0.21 0.01 0.00 0.00 175.26 176.52 2yrl s LYS 44 N 0.07 3.78 -0.05 1.61 2.20 -1.26 -1.01 119.74 125.08 2yrl s LYS 44 Ca -0.00 0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 56.01 2yrl s LYS 44 Cb -0.02 -3.88 -0.24 0.00 -1.51 0.00 0.00 37.83 32.19 2yrl s LYS 44 CO 0.00 -1.30 1.03 1.79 -0.36 0.00 0.00 175.35 176.51 2yrl h THR 45 N 6.15 1.54 -2.53 3.43 1.35 -0.66 -3.48 112.91 118.71 2yrl h THR 45 Ca -0.23 -2.00 -0.56 0.00 -0.55 0.00 0.00 66.41 63.08 2yrl h THR 45 Cb 1.06 2.78 -0.13 0.00 -1.73 0.00 0.00 68.15 70.12 2yrl h THR 45 CO 1.11 0.55 -0.52 -1.10 -0.25 0.00 0.00 175.52 175.32 2yrl s GLN 46 N -3.09 1.94 0.00 4.72 -0.21 -1.04 -5.01 119.66 116.98 2yrl s GLN 46 Ca -0.15 -2.18 0.00 0.00 0.02 0.00 0.00 55.36 53.04 2yrl s GLN 46 Cb 0.01 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.36 2yrl s GLN 46 CO 0.75 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 2yrl n GLY 47 N -0.92 1.48 3.77 3.09 0.00 -1.25 -2.69 105.19 108.67 2yrl n GLY 47 Ca -0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.13 2.40 0.38 1.61 0.04 -1.26 -5.00 135.00 131.03 2yrl s PRO 48 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2yrl s PRO 48 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2yrl s PRO 48 CO 0.00 -1.54 0.59 -0.51 0.04 0.00 0.00 177.00 175.58 2yrl s ASP 49 N -3.16 6.21 0.00 6.66 1.11 -1.26 -4.66 116.67 121.56 2yrl s ASP 49 Ca 0.63 0.45 0.00 0.00 0.18 0.00 0.00 52.55 53.81 2yrl s ASP 49 Cb -0.18 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 41.86 2yrl s ASP 49 CO 0.52 -0.39 0.00 0.61 1.18 0.00 0.00 175.17 177.09 2yrl n GLY 50 N -1.88 3.98 3.49 0.21 0.00 -1.26 -5.12 105.19 104.62 2yrl n GLY 50 Ca -0.03 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.97 1.61 0.24 -1.25 -4.87 118.33 110.08 2yrl n VAL 51 Ca 0.00 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.34 61.85 2yrl n VAL 51 Cb 0.00 -0.75 -0.16 0.00 -1.47 0.00 0.00 33.84 31.46 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 -3.97 1.85 -0.13 7.34 -0.21 -0.34 -4.91 119.66 119.29 2yrl s GLN 52 Ca 0.60 -0.96 -0.25 0.00 0.02 0.00 0.00 55.36 54.77 2yrl s GLN 52 Cb -0.21 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.23 2yrl s GLN 52 CO 0.64 -0.52 0.79 -0.51 -2.12 0.00 0.00 175.29 173.57 2yrl s LEU 53 N 1.37 4.23 0.04 2.90 1.43 -1.26 -1.58 118.68 125.80 2yrl s LEU 53 Ca -0.04 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 2yrl s LEU 53 Cb -0.18 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2yrl s LEU 53 CO -0.07 -0.30 -0.17 -1.61 0.23 0.00 0.00 176.35 174.43 2yrl s GLU 54 N 1.67 2.11 -1.77 1.70 2.02 0.51 -4.60 118.70 120.33 2yrl s GLU 54 Ca 0.38 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2yrl s GLU 54 Cb -0.17 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.84 2yrl s GLU 54 CO 0.15 0.54 0.00 0.09 0.02 0.00 0.00 175.26 176.06 2yrl n ASN 55 N 1.52 -5.86 0.06 -0.19 3.02 -1.26 -1.13 115.26 111.42 2yrl n ASN 55 Ca -0.16 -0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.59 2yrl n ASN 55 Cb 0.52 -4.89 0.74 0.00 -0.61 0.00 0.00 39.78 35.55 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 0.98 2.21 -0.35 5.41 0.00 -1.84 0.20 119.26 125.88 2yrl h ALA 56 Ca -0.49 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2yrl h ALA 56 Cb 1.36 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 2yrl h ALA 56 CO 0.58 -0.65 0.27 0.09 0.00 0.00 0.00 179.25 179.53 2yrl n ASN 57 N -3.89 4.51 -3.78 0.00 3.02 -1.26 -1.85 115.26 112.02 2yrl n ASN 57 Ca 0.08 -2.71 -0.12 0.00 -0.03 0.00 0.00 54.58 51.80 2yrl n ASN 57 Cb 0.62 -0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2yrl s SER 58 N 0.38 -0.12 0.63 6.41 0.01 0.06 -4.72 113.70 116.35 2yrl s SER 58 Ca 0.21 -0.09 0.28 0.00 1.31 0.00 0.00 55.95 57.66 2yrl s SER 58 Cb 0.17 0.32 1.52 0.00 0.21 0.00 0.00 66.02 68.24 2yrl s SER 58 CO 0.02 -0.51 1.88 -1.28 0.41 0.00 0.00 173.24 173.76 2yrl h SER 59 N 3.62 0.00 -3.13 2.44 0.87 -1.83 -3.37 113.55 112.14 2yrl h SER 59 Ca -0.31 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.58 2yrl h SER 59 Cb 1.19 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.81 2yrl h SER 59 CO 0.43 0.00 -0.83 -0.69 -0.53 0.00 0.00 176.83 175.21 2yrl s VAL 60 N -4.33 2.29 0.30 2.23 1.01 -1.26 -1.52 120.40 119.13 2yrl s VAL 60 Ca -0.04 -0.88 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2yrl s VAL 60 Cb 0.11 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2yrl s VAL 60 CO 0.39 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.97 2yrl s ALA 61 N 1.32 3.12 -0.18 5.51 0.00 -1.12 -4.69 121.76 125.71 2yrl s ALA 61 Ca 0.05 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.15 2yrl s ALA 61 Cb -0.13 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.54 2yrl s ALA 61 CO -0.11 0.17 0.03 0.99 0.00 0.00 0.00 175.76 176.84 2yrl s THR 62 N -2.45 0.56 -0.23 0.00 2.01 -0.28 -1.49 115.64 113.76 2yrl s THR 62 Ca 0.33 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2yrl s THR 62 Cb -0.03 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2yrl s THR 62 CO 0.19 -0.16 0.14 -0.69 -0.69 0.00 0.00 174.62 173.41 2yrl s VAL 63 N 1.85 5.31 0.48 3.82 1.01 -1.06 -0.37 120.40 131.44 2yrl s VAL 63 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2yrl s VAL 63 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2yrl s VAL 63 CO -0.08 0.38 0.10 0.42 0.00 0.00 0.00 175.10 175.92 2yrl s THR 64 N 0.84 1.60 -1.05 3.92 -4.23 -0.61 -2.38 115.64 113.71 2yrl s THR 64 Ca 0.07 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 2yrl s THR 64 Cb -0.13 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2yrl s THR 64 CO 0.02 0.00 0.92 0.61 -0.54 0.00 0.00 174.62 175.63 2yrl n GLY 65 N -1.28 -0.22 3.90 3.99 0.00 -0.75 -1.20 105.19 109.62 2yrl n GLY 65 Ca -0.11 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.90 3.38 0.22 0.99 1.43 -0.53 -3.89 118.68 114.38 2yrl s LEU 66 Ca 0.40 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2yrl s LEU 66 Cb -0.18 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2yrl s LEU 66 CO 0.57 -0.82 0.39 -1.10 0.23 0.00 0.00 176.35 175.62 2yrl s GLN 67 N -4.96 1.41 -0.75 1.70 -0.21 -1.26 -4.72 119.66 110.88 2yrl s GLN 67 Ca 0.52 -1.28 -0.24 0.00 0.02 0.00 0.00 55.36 54.38 2yrl s GLN 67 Cb -0.11 0.42 -0.16 0.00 1.00 0.00 0.00 33.01 34.17 2yrl s GLN 67 CO 0.48 -0.56 2.43 0.28 -2.12 0.00 0.00 175.29 175.80 2yrl n VAL 68 N -0.33 -0.03 -4.01 1.09 0.31 -1.26 -4.42 118.33 109.68 2yrl n VAL 68 Ca -0.03 -0.53 0.03 0.00 -0.01 0.00 0.00 64.34 63.81 2yrl n VAL 68 Cb 0.63 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 6.27 0.21 3.54 2.92 0.00 -1.24 -4.93 105.19 111.97 2yrl n GLY 69 Ca 0.50 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.02 4.38 -0.14 2.61 2.01 -1.26 -2.30 115.64 118.92 2yrl s THR 70 Ca 0.27 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2yrl s THR 70 Cb -0.00 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.54 2yrl s THR 70 CO -0.01 0.44 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.86 2yrl s TYR 71 N 0.67 2.42 -0.45 4.92 1.51 0.41 -3.97 117.35 122.87 2yrl s TYR 71 Ca 0.01 -1.25 -0.08 0.00 -1.01 0.00 0.00 57.07 54.74 2yrl s TYR 71 Cb -0.14 -1.69 0.10 0.00 -0.11 0.00 0.00 41.96 40.13 2yrl s TYR 71 CO 0.02 -0.61 0.30 0.08 -1.11 0.00 0.00 175.55 174.23 2yrl s VAL 72 N 1.02 4.10 -0.25 0.71 1.01 -1.09 -1.15 120.40 124.74 2yrl s VAL 72 Ca -0.04 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.16 2yrl s VAL 72 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2yrl s VAL 72 CO -0.05 -0.67 0.14 -0.36 0.00 0.00 0.00 175.10 174.16 2yrl s PHE 73 N 1.36 3.21 -0.03 5.22 0.08 -1.19 0.14 117.98 126.77 2yrl s PHE 73 Ca 0.05 0.01 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 2yrl s PHE 73 Cb -0.25 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2yrl s PHE 73 CO -0.00 -0.11 0.21 0.99 -0.10 0.00 0.00 175.22 176.21 2yrl s THR 74 N 1.36 5.40 -0.30 0.64 2.01 -0.18 -2.29 115.64 122.28 2yrl s THR 74 Ca 0.06 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2yrl s THR 74 Cb -0.15 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.92 2yrl s THR 74 CO 0.06 0.42 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 2yrl s LEU 75 N -1.62 4.03 -0.46 4.42 2.96 -0.05 -2.44 118.68 125.51 2yrl s LEU 75 Ca 0.24 -1.76 -0.17 0.00 -0.22 0.00 0.00 54.13 52.22 2yrl s LEU 75 Cb -0.13 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.05 2yrl s LEU 75 CO 0.14 -0.29 0.47 -0.89 -1.32 0.00 0.00 176.35 174.46 2yrl s THR 76 N 1.03 5.09 -0.00 3.68 2.01 -1.06 -3.35 115.64 123.03 2yrl s THR 76 Ca 0.01 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2yrl s THR 76 Cb -0.19 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 2yrl s THR 76 CO -0.07 -0.59 -0.04 0.68 -0.69 0.00 0.00 174.62 173.91 2yrl s VAL 77 N 2.07 3.82 -0.14 3.82 -7.23 -1.26 -3.40 120.40 118.08 2yrl s VAL 77 Ca 0.09 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2yrl s VAL 77 Cb -0.20 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.09 2yrl s VAL 77 CO 0.10 0.41 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.61 2yrl s LYS 78 N -1.41 2.39 0.55 4.82 1.02 -1.26 -3.11 119.74 122.74 2yrl s LYS 78 Ca 0.17 -0.60 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 2yrl s LYS 78 Cb -0.11 -2.12 0.13 0.00 -0.52 0.00 0.00 37.83 35.21 2yrl s LYS 78 CO 0.08 -0.18 0.67 -3.47 -0.92 0.00 0.00 175.35 171.53 2yrl n ASP 79 N 4.58 -0.34 0.22 2.83 2.03 -1.22 -3.73 116.55 120.93 2yrl n ASP 79 Ca -0.18 -1.16 0.06 0.00 0.52 0.00 0.00 54.79 54.03 2yrl n ASP 79 Cb 0.50 -0.53 0.51 0.00 -0.72 0.00 0.00 41.12 40.88 2yrl n ASP 79 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2yrl h GLU 80 N 0.00 0.00 -0.02 -0.67 4.11 -1.95 -0.94 114.58 115.10 2yrl h GLU 80 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2yrl h GLU 80 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2yrl h GLU 80 CO 0.15 0.19 0.00 0.54 0.07 0.00 0.00 179.01 179.96 2yrl n ARG 81 N -4.28 1.06 -2.83 1.06 1.74 -1.26 -4.85 116.66 107.30 2yrl n ARG 81 Ca -0.02 -0.10 -0.18 0.00 -0.77 0.00 0.00 57.85 56.78 2yrl n ARG 81 Cb 0.25 -1.12 0.03 0.00 -1.02 0.00 0.00 32.46 30.60 2yrl n ARG 81 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2yrl n ASN 82 N -0.52 -5.15 -4.62 0.55 2.85 -0.36 -4.94 115.26 103.07 2yrl n ASN 82 Ca 0.06 -0.22 -0.43 0.00 -0.11 0.00 0.00 54.58 53.88 2yrl n ASN 82 Cb 0.05 -4.00 -0.02 0.00 1.24 0.00 0.00 39.78 37.04 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yrl s LEU 83 N -5.31 3.79 -0.17 1.20 1.43 -1.26 -4.85 118.68 113.51 2yrl s LEU 83 Ca 0.23 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 2yrl s LEU 83 Cb -0.10 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2yrl s LEU 83 CO 0.28 -1.08 0.74 -1.10 0.23 0.00 0.00 176.35 175.43 2yrl s GLN 84 N 4.09 4.27 0.33 1.70 -0.21 -1.26 -3.39 119.66 125.19 2yrl s GLN 84 Ca 0.48 0.85 0.01 0.00 0.02 0.00 0.00 55.36 56.72 2yrl s GLN 84 Cb -0.11 -3.57 -0.01 0.00 1.00 0.00 0.00 33.01 30.33 2yrl s GLN 84 CO 0.23 -0.27 0.05 -1.13 -2.12 0.00 0.00 175.29 172.06 2yrl n SER 85 N 5.06 2.14 -3.63 5.90 3.41 -1.18 -5.05 113.62 120.26 2yrl n SER 85 Ca 0.02 -2.59 -0.12 0.00 -0.26 0.00 0.00 58.87 55.92 2yrl n SER 85 Cb 0.49 0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.86 2yrl n SER 85 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2yrl s GLN 86 N -3.23 0.70 -0.24 4.33 0.74 -1.26 -4.30 119.66 116.41 2yrl s GLN 86 Ca 0.07 0.87 -0.08 0.00 0.05 0.00 0.00 55.36 56.27 2yrl s GLN 86 Cb 0.00 0.33 0.11 0.00 1.10 0.00 0.00 33.01 34.55 2yrl s GLN 86 CO 0.05 -0.09 0.50 -1.54 -0.55 0.00 0.00 175.29 173.66 2yrl s SER 87 N 0.44 -0.58 0.15 6.67 1.04 -1.21 -4.73 113.70 115.48 2yrl s SER 87 Ca 0.00 1.17 0.04 0.00 0.48 0.00 0.00 55.95 57.64 2yrl s SER 87 Cb -0.05 1.70 -0.04 0.00 0.10 0.00 0.00 66.02 67.73 2yrl s SER 87 CO -0.03 -0.23 0.20 -0.94 0.98 0.00 0.00 173.24 173.22 2yrl s SER 88 N 2.72 5.90 -0.03 7.02 1.04 -1.26 -0.88 113.70 128.21 2yrl s SER 88 Ca -0.02 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2yrl s SER 88 Cb -0.12 -1.66 0.01 0.00 0.10 0.00 0.00 66.02 64.35 2yrl s SER 88 CO -0.15 0.07 -0.06 0.54 0.98 0.00 0.00 173.24 174.61 2yrl s VAL 89 N -1.73 0.60 -0.32 5.02 0.11 -0.97 -4.84 120.40 118.27 2yrl s VAL 89 Ca 0.33 -0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.89 2yrl s VAL 89 Cb -0.11 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2yrl s VAL 89 CO 0.26 0.21 0.95 0.20 -3.33 0.00 0.00 175.10 173.39 2yrl s ASN 90 N 0.49 6.80 -0.31 3.54 -0.87 -1.26 -3.17 114.94 120.16 2yrl s ASN 90 Ca -0.07 0.85 -0.00 0.00 -1.57 0.00 0.00 52.86 52.07 2yrl s ASN 90 Cb -0.11 -2.48 0.07 0.00 -0.02 0.00 0.00 41.25 38.71 2yrl s ASN 90 CO 0.00 -0.77 0.01 -0.69 -2.57 0.00 0.00 177.10 173.08 2yrl s VAL 91 N 3.36 2.80 0.05 1.60 1.01 -0.30 -0.34 120.40 128.59 2yrl s VAL 91 Ca 0.40 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.77 2yrl s VAL 91 Cb -0.13 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2yrl s VAL 91 CO 0.14 -0.22 0.07 -0.63 0.00 0.00 0.00 175.10 174.46 2yrl s ILE 92 N 1.17 4.52 -0.16 2.22 1.09 0.70 -0.45 121.20 130.30 2yrl s ILE 92 Ca -0.02 -0.68 0.01 0.00 -1.10 0.00 0.00 60.65 58.86 2yrl s ILE 92 Cb -0.20 -3.14 0.02 0.00 -1.06 0.00 0.00 42.46 38.08 2yrl s ILE 92 CO -0.03 0.20 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.14 2yrl s VAL 93 N -1.31 1.85 0.40 2.92 1.01 -0.97 -1.90 120.40 122.39 2yrl s VAL 93 Ca 0.27 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.50 2yrl s VAL 93 Cb -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2yrl s VAL 93 CO 0.19 0.51 0.46 -0.54 0.00 0.00 0.00 175.10 175.72 2yrl s LYS 94 N 1.26 2.77 0.57 2.72 3.01 0.52 -3.68 119.74 126.90 2yrl s LYS 94 Ca 0.02 -1.31 -0.03 0.00 -1.01 0.00 0.00 55.97 53.64 2yrl s LYS 94 Cb -0.13 -2.62 0.02 0.00 -1.01 0.00 0.00 37.83 34.09 2yrl s LYS 94 CO -0.10 -0.16 0.85 -1.21 0.51 0.00 0.00 175.35 175.24 2yrl s GLU 95 N -4.22 2.77 1.11 1.68 2.02 -1.26 -1.56 118.70 119.25 2yrl s GLU 95 Ca 0.50 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 55.04 2yrl s GLU 95 Cb -0.07 -2.36 0.20 0.00 0.10 0.00 0.00 34.13 32.00 2yrl s GLU 95 CO 0.30 -0.69 0.37 0.39 0.02 0.00 0.00 175.26 175.66 2yrl n GLU 96 N -2.48 -2.62 -1.52 1.61 1.02 -1.26 -4.51 120.64 110.88 2yrl n GLU 96 Ca 0.05 -0.77 -0.62 0.00 -0.02 0.00 0.00 57.16 55.80 2yrl n GLU 96 Cb 0.58 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yrl n SER 97 N -2.18 1.02 -0.56 1.62 2.88 -1.26 -4.51 113.62 110.63 2yrl n SER 97 Ca 0.06 0.99 0.02 0.00 -1.33 0.00 0.00 58.87 58.61 2yrl n SER 97 Cb 0.44 -0.84 -0.01 0.00 -0.75 0.00 0.00 64.21 63.06 2yrl n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yrl n GLY 98 N 4.73 -0.58 3.74 0.46 0.00 -1.26 -4.64 105.19 107.64 2yrl n GLY 98 Ca 0.36 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.36 4.41 -0.35 1.61 0.04 -1.26 -4.91 135.00 134.18 2yrl s PRO 99 Ca 0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2yrl s PRO 99 Cb 0.00 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.44 2yrl s PRO 99 CO 0.00 -0.20 0.09 -1.12 0.04 0.00 0.00 177.00 175.81 2yrl s SER 100 N 0.11 5.04 0.15 6.66 0.01 -1.26 -5.09 113.70 119.32 2yrl s SER 100 Ca 0.54 -1.67 -0.09 0.00 1.31 0.00 0.00 55.95 56.05 2yrl s SER 100 Cb -0.36 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 2yrl s SER 100 CO 0.40 -0.39 0.46 -0.55 0.41 0.00 0.00 173.24 173.57 2yrl s SER 101 N 1.46 6.61 0.00 2.44 0.15 -1.26 -5.13 113.70 117.96 2yrl s SER 101 Ca 0.02 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2yrl s SER 101 Cb -0.21 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2yrl s SER 101 CO -0.03 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.07