#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 -1.98 -0.14 1.61 3.41 -1.26 -4.85 113.62 110.41 2yrl n SER 2 Ca 0.00 -0.21 0.15 0.00 -0.26 0.00 0.00 58.87 58.55 2yrl n SER 2 Cb 0.00 -1.21 0.52 0.00 -0.26 0.00 0.00 64.21 63.26 2yrl n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2yrl h SER 3 N -2.71 0.35 0.00 4.04 4.64 -2.06 -3.46 113.55 114.34 2yrl h SER 3 Ca -0.63 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2yrl h SER 3 Cb 1.34 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2yrl h SER 3 CO 0.49 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2yrl n GLY 4 N -1.53 -2.33 3.79 -0.77 0.00 -1.26 -5.13 105.19 97.94 2yrl n GLY 4 Ca 0.13 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.58 4.63 0.11 1.61 0.01 -1.26 -4.99 113.70 113.24 2yrl s SER 5 Ca 0.00 1.59 -0.30 0.00 1.31 0.00 0.00 55.95 58.54 2yrl s SER 5 Cb 0.00 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 2yrl s SER 5 CO 0.00 -1.92 1.21 -0.44 0.41 0.00 0.00 173.24 172.50 2yrl s SER 6 N -3.64 7.07 0.00 2.44 0.01 -1.26 -4.89 113.70 113.43 2yrl s SER 6 Ca 0.60 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.98 2yrl s SER 6 Cb -0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2yrl s SER 6 CO 0.55 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2yrl n GLY 7 N 2.85 4.53 1.23 3.44 0.00 -1.26 -4.84 105.19 111.13 2yrl n GLY 7 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.98 0.00 -4.15 1.61 3.00 -1.26 -4.91 117.38 109.68 2yrl n GLN 8 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 2yrl n GLN 8 Cb 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 30.24 29.92 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 -2.00 0.51 -0.29 -1.58 0.00 -1.26 -4.46 121.76 112.67 2yrl s ALA 9 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2yrl s ALA 9 Cb 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.96 2yrl s ALA 9 CO 0.00 0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.28 2yrl s ASP 10 N 0.26 4.73 -0.25 0.00 1.01 -1.26 -4.61 116.67 116.55 2yrl s ASP 10 Ca -0.03 -1.36 0.05 0.00 0.71 0.00 0.00 52.55 51.92 2yrl s ASP 10 Cb -0.07 -1.65 0.46 0.00 1.01 0.00 0.00 42.92 42.67 2yrl s ASP 10 CO -0.00 -0.24 1.50 0.00 0.21 0.00 0.00 175.17 176.64 2yrl n ALA 11 N 4.54 4.16 -0.25 5.23 0.00 -1.26 -4.66 120.51 128.27 2yrl n ALA 11 Ca -0.13 -1.67 0.03 0.00 0.00 0.00 0.00 53.44 51.67 2yrl n ALA 11 Cb 0.43 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.27 -2.76 3.65 0.00 0.00 -1.26 -4.72 105.19 99.84 2yrl n GLY 12 Ca 0.32 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.24 0.01 0.31 1.61 0.04 -1.26 -4.85 135.00 127.63 2yrl s PRO 13 Ca 0.00 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 2yrl s PRO 13 Cb 0.00 -1.70 -0.14 0.00 0.04 0.00 0.00 34.50 32.70 2yrl s PRO 13 CO 0.00 -2.99 0.70 -0.40 0.04 0.00 0.00 177.00 174.35 2yrl n ASP 14 N -4.33 -0.23 -4.34 6.66 5.68 -1.26 -4.88 116.55 113.86 2yrl n ASP 14 Ca 0.06 1.06 -0.36 0.00 -0.50 0.00 0.00 54.79 55.06 2yrl n ASP 14 Cb 0.58 -1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 39.30 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 -1.41 3.30 -0.33 0.11 -0.14 -0.79 -5.03 119.74 115.45 2yrl s LYS 15 Ca 0.62 -0.70 0.03 0.00 -1.36 0.00 0.00 55.97 54.56 2yrl s LYS 15 Cb -0.73 -3.18 0.09 0.00 -1.68 0.00 0.00 37.83 32.34 2yrl s LYS 15 CO 0.58 -0.29 0.03 -2.00 -0.76 0.00 0.00 175.35 172.91 2yrl s GLU 16 N 1.50 1.67 0.12 1.68 2.12 -1.26 0.16 118.70 124.68 2yrl s GLU 16 Ca 0.04 -1.77 0.02 0.00 0.36 0.00 0.00 54.97 53.63 2yrl s GLU 16 Cb -0.15 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2yrl s GLU 16 CO -0.00 -0.87 0.24 -0.51 -0.54 0.00 0.00 175.26 173.57 2yrl s LEU 17 N 0.96 4.27 -0.13 2.70 1.43 0.12 -5.01 118.68 123.02 2yrl s LEU 17 Ca 0.07 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2yrl s LEU 17 Cb -0.19 -2.86 0.05 0.00 0.03 0.00 0.00 46.19 43.22 2yrl s LEU 17 CO -0.07 0.10 0.07 -0.89 0.23 0.00 0.00 176.35 175.79 2yrl s THR 18 N -1.65 -0.01 0.92 5.49 2.01 -1.26 -0.46 115.64 120.68 2yrl s THR 18 Ca 0.34 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2yrl s THR 18 Cb -0.12 -0.48 -0.14 0.00 0.01 0.00 0.00 72.50 71.77 2yrl s THR 18 CO 0.28 -0.10 -0.72 0.18 -0.69 0.00 0.00 174.62 173.56 2yrl n LEU 19 N 5.26 -5.61 0.00 4.42 7.99 -0.14 -2.67 117.00 126.25 2yrl n LEU 19 Ca -0.06 0.21 0.07 0.00 -0.01 0.00 0.00 56.01 56.23 2yrl n LEU 19 Cb 0.49 -0.74 0.38 0.00 -0.11 0.00 0.00 43.42 43.45 2yrl n LEU 19 CO 0.09 -5.70 0.70 -0.81 -1.51 0.00 0.00 177.39 170.16 2yrl n PRO 20 N 2.31 0.24 -1.53 3.23 -0.04 -1.26 -3.77 135.00 134.19 2yrl n PRO 20 Ca -0.01 0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 2yrl n PRO 20 Cb 0.53 -1.50 -0.13 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 -1.25 -0.02 -1.64 0.52 0.31 -1.09 -4.74 118.33 110.43 2yrl n VAL 21 Ca 0.08 -0.47 -0.31 0.00 -0.01 0.00 0.00 64.34 63.63 2yrl n VAL 21 Cb 0.11 -1.22 0.05 0.00 -0.91 0.00 0.00 33.84 31.87 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 12.51 6.59 -3.60 4.52 5.68 -1.26 -4.30 116.55 136.69 2yrl n ASP 22 Ca 0.56 -3.78 -0.16 0.00 -0.50 0.00 0.00 54.79 50.91 2yrl n ASP 22 Cb 0.29 -0.73 -0.07 0.00 -1.14 0.00 0.00 41.12 39.47 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 -2.51 -0.59 0.28 -1.12 1.04 -1.26 -1.96 113.70 107.58 2yrl s SER 23 Ca 0.59 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.76 2yrl s SER 23 Cb 0.47 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 67.33 2yrl s SER 23 CO -0.01 -0.46 0.42 0.28 0.98 0.00 0.00 173.24 174.45 2yrl s THR 24 N -0.72 0.00 -0.07 2.02 -1.32 -0.64 -5.02 115.64 109.90 2yrl s THR 24 Ca -0.08 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2yrl s THR 24 Cb -0.02 -2.43 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 2yrl s THR 24 CO 0.06 0.00 -0.04 0.42 -2.21 0.00 0.00 174.62 172.85 2yrl s THR 25 N -3.65 0.61 -0.91 5.08 -4.23 -1.26 -1.42 115.64 109.86 2yrl s THR 25 Ca 0.29 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 2yrl s THR 25 Cb 0.01 -0.67 0.23 0.00 1.34 0.00 0.00 72.50 73.41 2yrl s THR 25 CO 0.14 0.27 0.86 -0.76 -0.54 0.00 0.00 174.62 174.59 2yrl s LEU 26 N 1.38 6.50 -0.38 4.79 1.43 0.45 -4.96 118.68 127.90 2yrl s LEU 26 Ca -0.03 -3.03 -0.28 0.00 -1.03 0.00 0.00 54.13 49.76 2yrl s LEU 26 Cb -0.13 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.93 2yrl s LEU 26 CO -0.03 -0.46 1.03 -0.62 0.23 0.00 0.00 176.35 176.51 2yrl s ASP 27 N 1.71 6.77 -0.20 2.29 -1.08 -1.26 -2.58 116.67 122.32 2yrl s ASP 27 Ca 0.22 0.73 0.15 0.00 -0.52 0.00 0.00 52.55 53.14 2yrl s ASP 27 Cb -0.11 -2.52 0.72 0.00 -1.46 0.00 0.00 42.92 39.56 2yrl s ASP 27 CO -0.08 -0.96 1.63 0.61 0.52 0.00 0.00 175.17 176.89 2yrl n GLY 28 N 4.29 3.24 0.00 2.66 0.00 0.70 -4.43 105.19 111.66 2yrl n GLY 28 Ca 0.10 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.24 2yrl n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yrl n SER 29 N 0.39 0.00 -2.52 1.61 7.64 -1.25 -3.57 113.62 115.92 2yrl n SER 29 Ca 0.25 -1.33 -0.33 0.00 1.01 0.00 0.00 58.87 58.47 2yrl n SER 29 Cb 1.05 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.29 2yrl n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yrl n LYS 30 N -0.71 3.03 -0.18 1.43 4.76 -1.26 -5.04 118.16 120.19 2yrl n LYS 30 Ca 0.08 -3.78 -0.12 0.00 -2.87 0.00 0.00 58.31 51.62 2yrl n LYS 30 Cb 0.04 -2.27 0.11 0.00 -1.84 0.00 0.00 35.03 31.07 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2yrl n SER 31 N -0.66 -2.59 -4.29 4.39 3.41 -1.23 -4.66 113.62 107.99 2yrl n SER 31 Ca 0.51 -0.33 -0.32 0.00 -0.26 0.00 0.00 58.87 58.47 2yrl n SER 31 Cb 0.56 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 2yrl n SER 31 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yrl n SER 32 N -2.92 -2.33 -4.77 4.04 2.88 -1.26 -4.89 113.62 104.37 2yrl n SER 32 Ca 0.05 -0.15 -0.34 0.00 -1.33 0.00 0.00 58.87 57.10 2yrl n SER 32 Cb 0.23 -0.98 0.02 0.00 -0.75 0.00 0.00 64.21 62.74 2yrl n SER 32 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2yrl s ASP 33 N -1.89 5.40 -0.76 -3.46 1.01 -1.26 -3.14 116.67 112.56 2yrl s ASP 33 Ca 0.57 2.13 -0.10 0.00 0.71 0.00 0.00 52.55 55.87 2yrl s ASP 33 Cb -0.13 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.33 2yrl s ASP 33 CO 0.66 -1.44 0.24 0.47 0.21 0.00 0.00 175.17 175.31 2yrl n ASP 34 N -1.80 -1.07 -4.13 0.27 8.00 -1.26 -4.58 116.55 111.99 2yrl n ASP 34 Ca 0.11 -0.34 -0.28 0.00 0.71 0.00 0.00 54.79 54.99 2yrl n ASP 34 Cb 0.51 -0.97 -0.17 0.00 -0.02 0.00 0.00 41.12 40.47 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 -4.71 2.25 -0.05 -1.24 -0.21 -1.19 -4.97 119.66 109.54 2yrl s GLN 35 Ca 0.34 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 55.10 2yrl s GLN 35 Cb -0.20 -1.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 2yrl s GLN 35 CO 0.42 0.15 -0.12 -1.59 -2.12 0.00 0.00 175.29 172.02 2yrl s LYS 36 N 0.37 2.57 0.27 2.91 0.00 -1.26 -4.62 119.74 119.98 2yrl s LYS 36 Ca -0.13 -0.65 0.11 0.00 0.00 0.00 0.00 55.97 55.29 2yrl s LYS 36 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 37.83 35.18 2yrl s LYS 36 CO 0.05 0.64 -0.12 0.42 0.00 0.00 0.00 175.35 176.33 2yrl s ILE 37 N -0.77 2.87 -0.07 3.79 -1.09 -1.26 -4.72 121.20 119.95 2yrl s ILE 37 Ca 0.12 -2.18 0.17 0.00 -2.23 0.00 0.00 60.65 56.53 2yrl s ILE 37 Cb -0.11 -2.51 0.35 0.00 -1.58 0.00 0.00 42.46 38.61 2yrl s ILE 37 CO 0.01 -0.37 1.15 2.30 -1.23 0.00 0.00 174.94 176.81 2yrl n ILE 38 N -0.65 0.77 -3.63 2.92 -5.35 -1.10 -5.04 119.36 107.26 2yrl n ILE 38 Ca -0.06 -1.56 -0.11 0.00 -0.27 0.00 0.00 62.75 60.74 2yrl n ILE 38 Cb 0.59 0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 38.90 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 -2.26 -0.73 -0.05 7.28 0.15 -1.24 -4.92 113.70 111.93 2yrl s SER 39 Ca 0.30 1.35 -0.02 0.00 0.70 0.00 0.00 55.95 58.28 2yrl s SER 39 Cb 0.31 1.35 0.04 0.00 -1.71 0.00 0.00 66.02 66.01 2yrl s SER 39 CO -0.10 -0.23 0.09 -0.31 1.20 0.00 0.00 173.24 173.90 2yrl s TYR 40 N 0.65 -0.06 -0.02 3.44 2.02 -1.26 -4.03 117.35 118.09 2yrl s TYR 40 Ca -0.02 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2yrl s TYR 40 Cb -0.05 -0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.27 2yrl s TYR 40 CO -0.05 -0.17 0.05 -1.17 -1.57 0.00 0.00 175.55 172.64 2yrl s LEU 41 N 1.56 1.55 -0.06 -1.29 2.96 -1.19 -3.71 118.68 118.51 2yrl s LEU 41 Ca -0.04 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2yrl s LEU 41 Cb -0.12 0.11 0.01 0.00 0.50 0.00 0.00 46.19 46.69 2yrl s LEU 41 CO -0.04 -0.06 -0.12 0.26 -1.32 0.00 0.00 176.35 175.07 2yrl s TRP 42 N 0.39 1.42 -0.12 5.38 0.52 -0.65 -2.56 118.94 123.32 2yrl s TRP 42 Ca -0.03 -0.52 -0.19 0.00 0.02 0.00 0.00 56.10 55.38 2yrl s TRP 42 Cb -0.04 -1.05 0.05 0.00 -1.15 0.00 0.00 33.47 31.27 2yrl s TRP 42 CO -0.01 -0.27 0.48 -1.21 0.02 0.00 0.00 176.95 175.95 2yrl s GLU 43 N 0.69 0.67 -0.39 4.98 2.02 -1.14 -4.83 118.70 120.70 2yrl s GLU 43 Ca -0.14 0.41 -0.27 0.00 0.02 0.00 0.00 54.97 54.98 2yrl s GLU 43 Cb -0.16 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.41 2yrl s GLU 43 CO 0.03 -0.14 1.02 0.21 0.02 0.00 0.00 175.26 176.41 2yrl s LYS 44 N -0.35 3.85 -0.02 1.61 2.20 -1.26 -0.88 119.74 124.90 2yrl s LYS 44 Ca -0.05 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.12 2yrl s LYS 44 Cb -0.03 -3.82 -0.32 0.00 -1.51 0.00 0.00 37.83 32.15 2yrl s LYS 44 CO 0.03 -1.06 0.80 1.79 -0.36 0.00 0.00 175.35 176.55 2yrl h THR 45 N 5.92 1.08 -3.67 3.43 1.35 -0.46 -3.48 112.91 117.06 2yrl h THR 45 Ca -0.22 -2.61 -0.26 0.00 -0.55 0.00 0.00 66.41 62.77 2yrl h THR 45 Cb 1.07 2.86 -0.15 0.00 -1.73 0.00 0.00 68.15 70.20 2yrl h THR 45 CO 1.03 0.84 -0.70 -1.10 -0.25 0.00 0.00 175.52 175.34 2yrl s GLN 46 N -2.59 0.90 0.00 4.72 -0.21 -1.11 -5.00 119.66 116.37 2yrl s GLN 46 Ca -0.13 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 53.89 2yrl s GLN 46 Cb 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 33.01 33.70 2yrl s GLN 46 CO 0.89 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 2yrl n GLY 47 N -0.05 2.39 3.61 3.09 0.00 -1.26 -1.81 105.19 111.16 2yrl n GLY 47 Ca -0.12 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 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 -2.10 3.52 0.08 1.61 0.04 -1.26 -4.95 135.00 131.94 2yrl s PRO 48 Ca 0.00 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 2yrl s PRO 48 Cb 0.00 -4.12 -0.09 0.00 0.04 0.00 0.00 34.50 30.33 2yrl s PRO 48 CO 0.00 -1.63 1.80 -0.51 0.04 0.00 0.00 177.00 176.71 2yrl s ASP 49 N 5.12 6.49 0.00 6.66 1.11 -1.26 -4.33 116.67 130.46 2yrl s ASP 49 Ca 0.74 2.63 0.00 0.00 0.18 0.00 0.00 52.55 56.10 2yrl s ASP 49 Cb -0.22 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.22 2yrl s ASP 49 CO 0.32 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.30 2yrl n GLY 50 N 4.24 0.09 3.70 0.21 0.00 -1.26 -5.16 105.19 107.01 2yrl n GLY 50 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 2.36 -0.12 1.61 -7.23 -1.26 -4.93 120.40 110.84 2yrl s VAL 51 Ca 0.00 0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2yrl s VAL 51 Cb 0.00 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2yrl s VAL 51 CO 0.00 -0.15 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.37 2yrl s GLN 52 N -4.97 2.35 -0.23 4.82 -0.21 0.96 -4.94 119.66 117.44 2yrl s GLN 52 Ca 0.64 -0.61 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 2yrl s GLN 52 Cb -0.18 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 2yrl s GLN 52 CO 0.57 -0.07 0.09 -0.51 -2.12 0.00 0.00 175.29 173.25 2yrl s LEU 53 N 1.00 3.71 -0.10 2.90 1.43 -1.26 -0.33 118.68 126.03 2yrl s LEU 53 Ca -0.06 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2yrl s LEU 53 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2yrl s LEU 53 CO -0.02 0.04 -0.02 -1.61 0.23 0.00 0.00 176.35 174.97 2yrl s GLU 54 N 1.15 3.14 -1.53 1.70 2.02 0.83 -4.48 118.70 121.53 2yrl s GLU 54 Ca 0.05 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 2yrl s GLU 54 Cb -0.14 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.30 2yrl s GLU 54 CO 0.04 0.58 0.45 0.09 0.02 0.00 0.00 175.26 176.44 2yrl n ASN 55 N 2.52 -5.63 0.01 -0.19 3.02 -1.26 -1.81 115.26 111.93 2yrl n ASN 55 Ca -0.18 -0.23 0.20 0.00 -0.03 0.00 0.00 54.58 54.34 2yrl n ASN 55 Cb 0.53 -4.59 0.70 0.00 -0.61 0.00 0.00 39.78 35.81 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 1.00 2.46 -0.10 5.41 0.00 -1.85 0.28 119.26 126.45 2yrl h ALA 56 Ca -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2yrl h ALA 56 Cb 1.35 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2yrl h ALA 56 CO 0.55 -0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.26 2yrl n ASN 57 N -4.32 1.86 -4.54 0.00 4.13 -1.26 -1.63 115.26 109.50 2yrl n ASN 57 Ca 0.09 -2.17 -0.25 0.00 1.68 0.00 0.00 54.58 53.93 2yrl n ASN 57 Cb 0.60 -0.53 -0.11 0.00 -1.54 0.00 0.00 39.78 38.20 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2yrl s SER 58 N -0.13 3.52 0.62 6.41 1.04 0.99 -4.62 113.70 121.53 2yrl s SER 58 Ca 0.10 -1.26 0.39 0.00 0.48 0.00 0.00 55.95 55.66 2yrl s SER 58 Cb 0.07 -0.31 2.02 0.00 0.10 0.00 0.00 66.02 67.90 2yrl s SER 58 CO 0.03 -0.32 2.24 0.77 0.98 0.00 0.00 173.24 176.94 2yrl h SER 59 N 2.00 0.00 -3.57 7.02 4.64 -1.86 -3.38 113.55 118.40 2yrl h SER 59 Ca -0.42 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.29 2yrl h SER 59 Cb 1.24 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.95 2yrl h SER 59 CO 0.73 0.02 -0.77 -0.69 -0.87 0.00 0.00 176.83 175.24 2yrl s VAL 60 N -4.11 1.52 -0.09 0.95 1.01 -1.26 -0.21 120.40 118.20 2yrl s VAL 60 Ca -0.03 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.48 2yrl s VAL 60 Cb 0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2yrl s VAL 60 CO 0.48 -0.24 0.23 0.00 0.00 0.00 0.00 175.10 175.56 2yrl s ALA 61 N 1.37 3.80 -0.19 5.51 0.00 -1.07 -4.75 121.76 126.44 2yrl s ALA 61 Ca -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2yrl s ALA 61 Cb -0.19 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2yrl s ALA 61 CO -0.09 0.52 -0.06 0.99 0.00 0.00 0.00 175.76 177.12 2yrl s THR 62 N -0.87 3.37 -0.21 0.00 2.01 -0.75 -0.41 115.64 118.79 2yrl s THR 62 Ca 0.17 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 2yrl s THR 62 Cb -0.13 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2yrl s THR 62 CO 0.06 0.45 0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 2yrl s VAL 63 N 1.09 4.31 0.17 3.82 1.01 -0.51 -0.12 120.40 130.18 2yrl s VAL 63 Ca 0.01 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2yrl s VAL 63 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2yrl s VAL 63 CO -0.01 0.41 -0.21 0.42 0.00 0.00 0.00 175.10 175.72 2yrl s THR 64 N 0.94 2.03 -0.07 3.92 -4.23 0.56 -1.62 115.64 117.17 2yrl s THR 64 Ca 0.03 -1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2yrl s THR 64 Cb -0.14 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2yrl s THR 64 CO 0.02 -0.22 0.06 0.61 -0.54 0.00 0.00 174.62 174.56 2yrl n GLY 65 N 0.34 0.56 3.90 3.99 0.00 -0.83 -0.02 105.19 113.12 2yrl n GLY 65 Ca -0.13 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.94 4.14 0.13 0.99 1.43 -0.87 -4.10 118.68 118.45 2yrl s LEU 66 Ca 0.01 0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2yrl s LEU 66 Cb -0.01 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2yrl s LEU 66 CO 0.04 -0.11 0.18 0.00 0.23 0.00 0.00 176.35 176.70 2yrl s GLN 67 N -3.18 0.99 -0.48 1.70 -2.07 -1.26 -4.69 119.66 110.67 2yrl s GLN 67 Ca 0.44 -1.19 -0.42 0.00 -1.82 0.00 0.00 55.36 52.37 2yrl s GLN 67 Cb -0.11 0.32 -0.18 0.00 -1.09 0.00 0.00 33.01 31.96 2yrl s GLN 67 CO 0.27 -0.32 2.16 0.28 -1.32 0.00 0.00 175.29 176.36 2yrl n VAL 68 N -0.12 0.04 0.00 3.63 0.31 -1.26 -4.73 118.33 116.19 2yrl n VAL 68 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2yrl n VAL 68 Cb 0.63 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 7.29 -0.75 3.46 2.92 0.00 -1.22 -5.00 105.19 111.89 2yrl n GLY 69 Ca 0.53 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 4.14 -0.13 2.61 -4.23 -1.26 -2.45 115.64 112.33 2yrl s THR 70 Ca 0.00 -0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2yrl s THR 70 Cb 0.00 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 2yrl s THR 70 CO 0.00 0.40 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.04 2yrl s TYR 71 N 1.20 2.81 -0.37 3.99 1.51 -0.53 -4.07 117.35 121.89 2yrl s TYR 71 Ca 0.04 -0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2yrl s TYR 71 Cb -0.14 -1.83 0.09 0.00 -0.11 0.00 0.00 41.96 39.97 2yrl s TYR 71 CO 0.02 -0.18 0.13 0.08 -1.11 0.00 0.00 175.55 174.50 2yrl s VAL 72 N 0.28 3.10 -0.25 0.71 1.01 -0.75 -1.45 120.40 123.05 2yrl s VAL 72 Ca -0.09 -1.91 -0.10 0.00 0.00 0.00 0.00 61.98 59.87 2yrl s VAL 72 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2yrl s VAL 72 CO 0.05 -0.53 0.16 -0.36 0.00 0.00 0.00 175.10 174.42 2yrl s PHE 73 N 1.14 3.25 -0.15 5.22 0.08 -1.23 0.36 117.98 126.64 2yrl s PHE 73 Ca 0.05 0.10 -0.13 0.00 0.12 0.00 0.00 56.93 57.08 2yrl s PHE 73 Cb -0.22 -2.30 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2yrl s PHE 73 CO -0.04 -0.07 0.26 0.99 -0.10 0.00 0.00 175.22 176.26 2yrl s THR 74 N 1.38 5.32 -0.44 0.64 2.01 -0.06 -2.41 115.64 122.08 2yrl s THR 74 Ca 0.07 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.45 2yrl s THR 74 Cb -0.15 -3.59 0.09 0.00 0.01 0.00 0.00 72.50 68.86 2yrl s THR 74 CO 0.07 0.43 0.30 -0.22 -0.69 0.00 0.00 174.62 174.51 2yrl s LEU 75 N 0.22 5.37 -0.44 4.42 2.96 -0.54 -2.90 118.68 127.77 2yrl s LEU 75 Ca 0.15 -1.59 -0.18 0.00 -0.22 0.00 0.00 54.13 52.29 2yrl s LEU 75 Cb -0.13 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.57 2yrl s LEU 75 CO 0.03 -0.60 0.48 -0.89 -1.32 0.00 0.00 176.35 174.06 2yrl s THR 76 N 1.44 5.04 0.40 3.68 2.01 -1.06 -3.00 115.64 124.16 2yrl s THR 76 Ca 0.04 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2yrl s THR 76 Cb -0.24 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.10 2yrl s THR 76 CO 0.02 -0.50 0.06 0.68 -0.69 0.00 0.00 174.62 174.18 2yrl s VAL 77 N 2.23 2.16 -0.04 3.82 -7.23 -1.25 -3.15 120.40 116.95 2yrl s VAL 77 Ca 0.13 -1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2yrl s VAL 77 Cb -0.18 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.81 2yrl s VAL 77 CO 0.13 -0.03 0.18 -0.54 -0.31 0.00 0.00 175.10 174.53 2yrl s LYS 78 N -3.77 0.37 0.47 4.82 1.02 -1.26 -3.11 119.74 118.29 2yrl s LYS 78 Ca 0.37 -0.05 0.08 0.00 0.02 0.00 0.00 55.97 56.39 2yrl s LYS 78 Cb 0.07 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2yrl s LYS 78 CO 0.20 -0.08 0.55 -0.51 -0.92 0.00 0.00 175.35 174.59 2yrl s ASP 79 N -0.63 5.24 0.45 2.83 1.11 -1.14 -2.72 116.67 121.81 2yrl s ASP 79 Ca -0.07 -0.71 0.23 0.00 0.18 0.00 0.00 52.55 52.18 2yrl s ASP 79 Cb -0.04 -0.28 1.23 0.00 1.07 0.00 0.00 42.92 44.90 2yrl s ASP 79 CO 0.01 -0.91 1.83 -0.33 1.18 0.00 0.00 175.17 176.95 2yrl h GLU 80 N 0.65 0.26 -0.94 8.23 5.08 -1.94 0.66 114.58 126.58 2yrl h GLU 80 Ca -0.37 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2yrl h GLU 80 Cb 1.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2yrl h GLU 80 CO 0.49 0.17 0.05 0.54 -1.00 0.00 0.00 179.01 179.26 2yrl n ARG 81 N -4.45 1.71 -2.40 2.33 1.74 -1.26 -4.82 116.66 109.51 2yrl n ARG 81 Ca 0.21 -0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 56.43 2yrl n ARG 81 Cb 0.87 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.76 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 0.14 -3.98 -4.62 0.55 5.15 0.23 -4.86 115.26 107.86 2yrl n ASN 82 Ca 0.09 0.19 -0.43 0.00 -0.60 0.00 0.00 54.58 53.83 2yrl n ASN 82 Cb 0.58 -3.39 -0.02 0.00 -0.53 0.00 0.00 39.78 36.41 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yrl s LEU 83 N -5.56 3.77 -0.01 1.20 1.43 -1.23 -4.78 118.68 113.49 2yrl s LEU 83 Ca 0.00 1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2yrl s LEU 83 Cb 0.00 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.64 2yrl s LEU 83 CO 0.00 -1.32 0.66 -1.58 0.23 0.00 0.00 176.35 174.34 2yrl s GLN 84 N 4.76 4.39 0.24 1.70 -0.44 -1.26 -2.87 119.66 126.18 2yrl s GLN 84 Ca 0.67 0.84 0.00 0.00 -2.50 0.00 0.00 55.36 54.38 2yrl s GLN 84 Cb -0.20 -3.38 -0.03 0.00 -1.64 0.00 0.00 33.01 27.76 2yrl s GLN 84 CO 0.29 0.27 0.21 -1.54 0.50 0.00 0.00 175.29 175.02 2yrl s SER 85 N 0.10 0.58 -0.09 6.67 1.04 -1.18 -5.06 113.70 115.76 2yrl s SER 85 Ca 0.34 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.19 2yrl s SER 85 Cb -0.19 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.41 2yrl s SER 85 CO 0.19 -0.94 0.30 -1.58 0.98 0.00 0.00 173.24 172.19 2yrl s GLN 86 N -3.91 0.43 -0.27 4.02 0.74 -1.26 -3.86 119.66 115.54 2yrl s GLN 86 Ca 0.38 0.26 -0.01 0.00 0.05 0.00 0.00 55.36 56.04 2yrl s GLN 86 Cb 0.05 0.20 0.16 0.00 1.10 0.00 0.00 33.01 34.52 2yrl s GLN 86 CO 0.16 -0.08 0.45 0.45 -0.55 0.00 0.00 175.29 175.73 2yrl s SER 87 N -0.22 -0.21 0.07 6.67 0.15 -1.16 -4.63 113.70 114.36 2yrl s SER 87 Ca -0.04 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 2yrl s SER 87 Cb -0.03 1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 65.65 2yrl s SER 87 CO 0.01 -0.30 0.23 -0.94 1.20 0.00 0.00 173.24 173.44 2yrl s SER 88 N 2.63 6.38 -0.06 5.45 1.04 -1.26 -1.47 113.70 126.41 2yrl s SER 88 Ca 0.14 0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.93 2yrl s SER 88 Cb -0.14 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2yrl s SER 88 CO -0.21 0.16 -0.17 0.54 0.98 0.00 0.00 173.24 174.54 2yrl s VAL 89 N -1.52 1.48 -0.43 5.02 0.11 -1.01 -4.87 120.40 119.16 2yrl s VAL 89 Ca 0.36 -0.72 -0.28 0.00 -2.93 0.00 0.00 61.98 58.41 2yrl s VAL 89 Cb -0.13 -1.28 0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2yrl s VAL 89 CO 0.27 0.43 1.08 0.20 -3.33 0.00 0.00 175.10 173.74 2yrl s ASN 90 N 0.24 6.68 -0.40 3.54 0.01 -1.26 -3.53 114.94 120.22 2yrl s ASN 90 Ca -0.09 0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 52.50 2yrl s ASN 90 Cb -0.14 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 39.05 2yrl s ASN 90 CO 0.04 -1.11 0.25 -0.69 -1.51 0.00 0.00 177.10 174.07 2yrl s VAL 91 N 4.10 4.55 -0.19 1.60 1.01 -0.53 -1.89 120.40 129.06 2yrl s VAL 91 Ca 0.45 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2yrl s VAL 91 Cb -0.09 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2yrl s VAL 91 CO 0.26 -0.37 0.12 -0.63 0.00 0.00 0.00 175.10 174.49 2yrl s ILE 92 N 1.52 5.33 -0.19 2.22 1.01 0.12 -1.45 121.20 129.77 2yrl s ILE 92 Ca 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 2yrl s ILE 92 Cb -0.21 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 2yrl s ILE 92 CO 0.05 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.65 2yrl s VAL 93 N 0.29 2.94 0.45 2.92 1.01 -1.03 -0.70 120.40 126.29 2yrl s VAL 93 Ca 0.08 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2yrl s VAL 93 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2yrl s VAL 93 CO -0.01 0.48 0.19 -0.54 0.00 0.00 0.00 175.10 175.21 2yrl s LYS 94 N 1.17 2.21 0.37 2.72 1.02 0.39 -3.38 119.74 124.25 2yrl s LYS 94 Ca 0.02 -1.98 0.01 0.00 0.02 0.00 0.00 55.97 54.03 2yrl s LYS 94 Cb -0.14 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2yrl s LYS 94 CO -0.04 -0.25 0.57 -1.21 -0.92 0.00 0.00 175.35 173.50 2yrl s GLU 95 N -3.97 3.35 0.41 1.68 2.02 -1.26 -0.97 118.70 119.96 2yrl s GLU 95 Ca 0.34 -0.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.67 2yrl s GLU 95 Cb 0.03 -2.65 -0.12 0.00 0.10 0.00 0.00 34.13 31.49 2yrl s GLU 95 CO 0.19 0.04 0.72 -1.91 0.02 0.00 0.00 175.26 174.33 2yrl n GLU 96 N -1.85 0.83 -2.15 1.61 0.00 -1.25 -4.60 120.64 113.24 2yrl n GLU 96 Ca -0.03 0.30 -0.30 0.00 0.00 0.00 0.00 57.16 57.14 2yrl n GLU 96 Cb 0.57 -1.68 -0.05 0.00 0.00 0.00 0.00 31.44 30.28 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2yrl s SER 97 N -0.87 5.40 0.03 4.31 0.15 -1.26 -4.92 113.70 116.54 2yrl s SER 97 Ca 0.63 -0.91 0.02 0.00 0.70 0.00 0.00 55.95 56.39 2yrl s SER 97 Cb -0.61 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.12 2yrl s SER 97 CO 0.57 -2.52 -0.07 -0.83 1.20 0.00 0.00 173.24 171.59 2yrl s GLY 98 N 7.32 0.41 0.77 9.45 0.00 -1.26 -5.15 107.32 118.85 2yrl s GLY 98 Ca 0.65 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 2yrl s GLY 98 CO -0.01 -0.60 1.09 2.56 0.00 0.00 0.00 173.10 176.14 2yrl s PRO 99 N -1.10 2.29 -1.09 2.90 0.04 -1.26 -4.88 135.00 131.91 2yrl s PRO 99 Ca -0.06 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 2yrl s PRO 99 Cb -0.07 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2yrl s PRO 99 CO 0.00 -1.62 1.99 -1.12 0.04 0.00 0.00 177.00 176.29 2yrl s SER 100 N -3.33 4.74 1.14 6.66 0.01 -1.26 -4.93 113.70 116.74 2yrl s SER 100 Ca 0.62 -1.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 2yrl s SER 100 Cb -0.17 -2.58 0.26 0.00 0.21 0.00 0.00 66.02 63.74 2yrl s SER 100 CO 0.55 -3.31 1.05 -0.94 0.41 0.00 0.00 173.24 170.99 2yrl s SER 101 N 7.38 1.28 0.00 2.44 1.04 -1.26 -5.37 113.70 119.21 2yrl s SER 101 Ca 0.72 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2yrl s SER 101 Cb -0.03 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2yrl s SER 101 CO 0.11 -3.97 0.00 0.61 0.98 0.00 0.00 173.24 170.97