#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 -0.92 0.53 1.61 0.01 -1.26 -5.17 113.70 108.50 2yrl s SER 2 Ca 0.00 1.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.62 2yrl s SER 2 Cb 0.00 1.50 -0.05 0.00 0.21 0.00 0.00 66.02 67.68 2yrl s SER 2 CO 0.00 -0.23 0.91 -0.94 0.41 0.00 0.00 173.24 173.39 2yrl s SER 3 N 1.88 6.33 0.00 2.44 1.04 -1.26 -4.86 113.70 119.28 2yrl s SER 3 Ca -0.09 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2yrl s SER 3 Cb -0.07 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2yrl s SER 3 CO -0.19 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2yrl n GLY 4 N -2.24 0.40 4.32 7.32 0.00 -1.26 -5.02 105.19 108.71 2yrl n GLY 4 Ca 0.04 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yrl n SER 5 N 0.00 -0.75 -4.72 1.61 3.41 -1.26 -4.83 113.62 107.08 2yrl n SER 5 Ca 0.00 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 2yrl n SER 5 Cb 0.00 -2.01 -0.03 0.00 -0.26 0.00 0.00 64.21 61.91 2yrl n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yrl s SER 6 N -3.87 6.85 0.00 4.04 0.01 -1.26 -4.62 113.70 114.85 2yrl s SER 6 Ca 0.37 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.92 2yrl s SER 6 Cb -0.21 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2yrl s SER 6 CO 0.98 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2yrl n GLY 7 N 3.43 0.00 2.75 3.44 0.00 -1.26 -5.05 105.19 108.50 2yrl n GLY 7 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 4.72 -3.63 1.61 3.00 -1.26 -4.87 117.38 116.95 2yrl n GLN 8 Ca 0.00 -4.21 -0.01 0.00 -0.01 0.00 0.00 57.00 52.76 2yrl n GLN 8 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 30.24 27.61 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 -2.52 -2.09 -0.64 -1.58 0.00 -1.26 -4.69 121.76 108.99 2yrl s ALA 9 Ca 0.40 2.33 -0.15 0.00 0.00 0.00 0.00 51.96 54.54 2yrl s ALA 9 Cb 0.13 -1.77 0.16 0.00 0.00 0.00 0.00 23.12 21.65 2yrl s ALA 9 CO -0.03 -0.87 0.59 0.34 0.00 0.00 0.00 175.76 175.79 2yrl s ASP 10 N 2.72 6.38 0.42 0.00 2.15 -1.26 -4.40 116.67 122.67 2yrl s ASP 10 Ca -0.06 -2.09 0.25 0.00 0.43 0.00 0.00 52.55 51.08 2yrl s ASP 10 Cb -0.11 -2.21 0.56 0.00 -0.30 0.00 0.00 42.92 40.86 2yrl s ASP 10 CO -0.19 -0.77 1.69 0.00 -0.17 0.00 0.00 175.17 175.73 2yrl h ALA 11 N 8.53 1.00 0.00 3.66 0.00 -1.90 -3.41 119.26 127.14 2yrl h ALA 11 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2yrl h ALA 11 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2yrl h ALA 11 CO 0.95 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.61 2yrl n GLY 12 N 0.97 3.02 3.72 0.00 0.00 -1.26 -4.60 105.19 107.04 2yrl n GLY 12 Ca 0.04 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2yrl n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 13 N -3.04 1.24 0.50 1.61 0.04 -1.26 -4.85 135.00 129.23 2yrl s PRO 13 Ca 0.00 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 2yrl s PRO 13 Cb 0.00 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 2yrl s PRO 13 CO 0.00 -2.25 -0.14 -0.40 0.04 0.00 0.00 177.00 174.25 2yrl n ASP 14 N -3.89 -3.57 -4.20 6.66 5.75 -1.26 -4.88 116.55 111.16 2yrl n ASP 14 Ca 0.07 0.61 -0.32 0.00 -0.01 0.00 0.00 54.79 55.15 2yrl n ASP 14 Cb 0.55 -0.81 -0.17 0.00 -1.03 0.00 0.00 41.12 39.66 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 -0.99 2.98 -0.20 0.11 -0.14 -0.18 -5.02 119.74 116.31 2yrl s LYS 15 Ca 0.54 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 54.27 2yrl s LYS 15 Cb -0.47 -2.28 0.06 0.00 -1.68 0.00 0.00 37.83 33.46 2yrl s LYS 15 CO 0.64 0.14 0.01 -2.00 -0.76 0.00 0.00 175.35 173.38 2yrl s GLU 16 N 0.44 0.90 0.18 1.68 2.12 -1.26 -0.41 118.70 122.34 2yrl s GLU 16 Ca -0.17 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 54.68 2yrl s GLU 16 Cb -0.17 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 2yrl s GLU 16 CO 0.07 -0.63 -0.01 -0.51 -0.54 0.00 0.00 175.26 173.64 2yrl s LEU 17 N 1.74 3.27 -0.10 2.70 1.43 -0.34 -5.02 118.68 122.37 2yrl s LEU 17 Ca -0.02 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2yrl s LEU 17 Cb -0.17 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.17 2yrl s LEU 17 CO -0.07 0.08 0.05 -0.89 0.23 0.00 0.00 176.35 175.74 2yrl s THR 18 N -1.77 0.14 0.82 5.49 2.01 -1.26 -0.35 115.64 120.72 2yrl s THR 18 Ca 0.27 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 2yrl s THR 18 Cb -0.09 -0.51 -0.14 0.00 0.01 0.00 0.00 72.50 71.77 2yrl s THR 18 CO 0.18 0.03 -0.59 0.18 -0.69 0.00 0.00 174.62 173.73 2yrl n LEU 19 N 5.21 -5.10 0.00 4.42 7.99 0.17 -2.42 117.00 127.27 2yrl n LEU 19 Ca -0.06 0.28 0.08 0.00 -0.01 0.00 0.00 56.01 56.30 2yrl n LEU 19 Cb 0.49 -0.73 0.43 0.00 -0.11 0.00 0.00 43.42 43.50 2yrl n LEU 19 CO 0.09 -5.37 0.68 -0.81 -1.51 0.00 0.00 177.39 170.48 2yrl n PRO 20 N 2.10 0.38 -1.53 3.23 -0.04 -1.26 -4.05 135.00 133.84 2yrl n PRO 20 Ca 0.01 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.30 2yrl n PRO 20 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.11 -0.01 -1.84 0.52 0.31 -1.02 -4.73 118.33 110.45 2yrl n VAL 21 Ca 0.10 -0.48 -0.30 0.00 -0.01 0.00 0.00 64.34 63.65 2yrl n VAL 21 Cb 0.08 -1.19 0.04 0.00 -0.91 0.00 0.00 33.84 31.86 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 12.59 6.16 -3.56 4.52 5.68 -1.26 -4.31 116.55 136.37 2yrl n ASP 22 Ca 0.56 -3.77 -0.15 0.00 -0.50 0.00 0.00 54.79 50.93 2yrl n ASP 22 Cb 0.29 -0.66 -0.06 0.00 -1.14 0.00 0.00 41.12 39.55 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 -2.69 -0.58 -0.06 -1.12 1.04 -1.26 -1.80 113.70 107.24 2yrl s SER 23 Ca 0.55 0.76 -0.22 0.00 0.48 0.00 0.00 55.95 57.52 2yrl s SER 23 Cb 0.45 0.65 0.05 0.00 0.10 0.00 0.00 66.02 67.26 2yrl s SER 23 CO -0.07 -0.44 0.49 0.28 0.98 0.00 0.00 173.24 174.48 2yrl s THR 24 N -0.80 0.03 -0.21 2.02 -1.32 -0.89 -5.02 115.64 109.45 2yrl s THR 24 Ca -0.06 -0.21 -0.07 0.00 -1.21 0.00 0.00 61.69 60.14 2yrl s THR 24 Cb -0.01 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 2yrl s THR 24 CO 0.05 -0.12 0.06 0.42 -2.21 0.00 0.00 174.62 172.82 2yrl s THR 25 N -1.02 4.52 -0.88 5.08 -4.23 -1.26 -1.21 115.64 116.63 2yrl s THR 25 Ca -0.10 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.12 2yrl s THR 25 Cb -0.03 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.92 2yrl s THR 25 CO 0.06 0.41 0.96 -0.76 -0.54 0.00 0.00 174.62 174.75 2yrl s LEU 26 N 0.88 5.86 -0.37 4.79 1.43 0.15 -4.94 118.68 126.47 2yrl s LEU 26 Ca 0.03 -2.35 -0.20 0.00 -1.03 0.00 0.00 54.13 50.58 2yrl s LEU 26 Cb -0.14 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2yrl s LEU 26 CO 0.02 -0.83 0.63 -0.62 0.23 0.00 0.00 176.35 175.78 2yrl s ASP 27 N 2.94 6.40 -0.32 2.29 -1.08 -1.26 -1.87 116.67 123.77 2yrl s ASP 27 Ca 0.26 0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.41 2yrl s ASP 27 Cb -0.07 -2.32 0.66 0.00 -1.46 0.00 0.00 42.92 39.72 2yrl s ASP 27 CO -0.09 -0.63 1.70 0.61 0.52 0.00 0.00 175.17 177.27 2yrl n GLY 28 N 4.76 4.10 0.27 2.66 0.00 0.55 -4.54 105.19 113.00 2yrl n GLY 28 Ca -0.01 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.07 2yrl n GLY 28 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yrl h SER 29 N 1.95 0.00 0.00 1.61 0.87 -1.83 -3.10 113.55 113.04 2yrl h SER 29 Ca 0.28 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 2yrl h SER 29 Cb 2.15 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 64.07 2yrl h SER 29 CO 0.65 0.08 -0.19 0.29 -0.53 0.00 0.00 176.83 177.12 2yrl n LYS 30 N -3.82 1.49 -1.63 2.24 4.01 -1.26 -4.55 118.16 114.64 2yrl n LYS 30 Ca -0.02 -0.65 -0.32 0.00 -0.51 0.00 0.00 58.31 56.80 2yrl n LYS 30 Cb 0.17 -1.73 -0.01 0.00 -0.51 0.00 0.00 35.03 32.95 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2yrl n SER 31 N 2.36 6.94 -0.20 4.39 3.41 -1.17 -4.63 113.62 124.72 2yrl n SER 31 Ca 0.28 -3.47 -0.08 0.00 -0.26 0.00 0.00 58.87 55.33 2yrl n SER 31 Cb 0.69 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 2yrl n SER 31 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2yrl h SER 32 N 2.90 -1.34 -0.87 4.04 0.87 -1.92 -0.06 113.55 117.17 2yrl h SER 32 Ca 0.47 0.19 0.14 0.00 -1.23 0.00 0.00 61.79 61.36 2yrl h SER 32 Cb 0.45 0.58 -0.14 0.00 -0.44 0.00 0.00 62.40 62.85 2yrl h SER 32 CO 1.12 -0.20 -0.32 -0.67 -0.53 0.00 0.00 176.83 176.24 2yrl n ASP 33 N -4.47 -0.52 -3.85 6.23 -0.08 -1.26 -3.22 116.55 109.39 2yrl n ASP 33 Ca -0.00 1.51 -0.30 0.00 -1.51 0.00 0.00 54.79 54.49 2yrl n ASP 33 Cb 0.19 -0.37 -0.14 0.00 2.34 0.00 0.00 41.12 43.15 2yrl n ASP 33 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2yrl s ASP 34 N -5.30 4.10 -0.02 1.67 1.11 -0.09 -4.90 116.67 113.24 2yrl s ASP 34 Ca -0.12 -2.57 0.21 0.00 0.18 0.00 0.00 52.55 50.26 2yrl s ASP 34 Cb 0.19 -1.32 -0.30 0.00 1.07 0.00 0.00 42.92 42.56 2yrl s ASP 34 CO 0.63 -0.29 0.59 0.00 1.18 0.00 0.00 175.17 177.28 2yrl n GLN 35 N 3.66 0.50 -2.93 8.23 6.02 -0.87 -4.62 117.38 127.37 2yrl n GLN 35 Ca 0.05 -0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.47 2yrl n GLN 35 Cb 0.36 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.12 2yrl n GLN 35 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2yrl n LYS 36 N -2.03 4.44 -4.30 -1.09 3.00 -1.26 -4.98 118.16 111.94 2yrl n LYS 36 Ca -0.02 -4.46 -0.23 0.00 -0.00 0.00 0.00 58.31 53.59 2yrl n LYS 36 Cb 0.49 -2.55 -0.12 0.00 0.00 0.00 0.00 35.03 32.85 2yrl n LYS 36 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2yrl s ILE 37 N -2.55 1.74 -0.32 3.15 -4.36 -1.26 -3.67 121.20 113.93 2yrl s ILE 37 Ca 0.32 -1.63 0.08 0.00 -0.26 0.00 0.00 60.65 59.17 2yrl s ILE 37 Cb 0.06 -1.62 0.45 0.00 1.25 0.00 0.00 42.46 42.60 2yrl s ILE 37 CO 0.10 -0.11 1.16 2.30 0.24 0.00 0.00 174.94 178.62 2yrl n ILE 38 N 0.91 2.34 -3.64 8.37 -5.35 -0.85 -4.98 119.36 116.16 2yrl n ILE 38 Ca -0.18 -4.24 -0.10 0.00 -0.27 0.00 0.00 62.75 57.95 2yrl n ILE 38 Cb 0.54 -0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 37.46 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 -3.59 -0.82 -0.07 7.28 0.15 -1.22 -4.90 113.70 110.52 2yrl s SER 39 Ca 0.48 1.44 -0.03 0.00 0.70 0.00 0.00 55.95 58.53 2yrl s SER 39 Cb 0.40 1.40 0.04 0.00 -1.71 0.00 0.00 66.02 66.15 2yrl s SER 39 CO -0.02 -0.24 0.15 -0.31 1.20 0.00 0.00 173.24 174.02 2yrl s TYR 40 N 0.97 -0.17 0.00 3.44 2.02 -1.26 -3.67 117.35 118.68 2yrl s TYR 40 Ca -0.05 0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 2yrl s TYR 40 Cb -0.05 -0.14 -0.00 0.00 -0.40 0.00 0.00 41.96 41.37 2yrl s TYR 40 CO -0.09 -0.20 0.06 -1.17 -1.57 0.00 0.00 175.55 172.57 2yrl s LEU 41 N 1.55 1.84 -0.04 -1.29 2.96 -0.76 -3.90 118.68 119.05 2yrl s LEU 41 Ca -0.05 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2yrl s LEU 41 Cb -0.12 0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.96 2yrl s LEU 41 CO -0.06 -0.25 0.04 0.26 -1.32 0.00 0.00 176.35 175.01 2yrl s TRP 42 N -1.03 0.21 -0.06 5.38 0.52 -0.10 -2.51 118.94 121.36 2yrl s TRP 42 Ca -0.11 0.12 -0.11 0.00 0.02 0.00 0.00 56.10 56.02 2yrl s TRP 42 Cb -0.07 -0.50 0.02 0.00 -1.15 0.00 0.00 33.47 31.77 2yrl s TRP 42 CO 0.00 -0.20 0.26 -1.21 0.02 0.00 0.00 176.95 175.82 2yrl s GLU 43 N 1.82 0.45 -0.45 4.98 0.41 -1.20 -4.80 118.70 119.90 2yrl s GLU 43 Ca 0.01 0.08 -0.26 0.00 -0.41 0.00 0.00 54.97 54.38 2yrl s GLU 43 Cb -0.12 0.20 0.03 0.00 -1.78 0.00 0.00 34.13 32.45 2yrl s GLU 43 CO -0.03 -0.09 0.97 0.21 -0.49 0.00 0.00 175.26 175.82 2yrl s LYS 44 N -0.55 3.62 0.03 1.61 2.20 -1.26 -1.01 119.74 124.38 2yrl s LYS 44 Ca -0.06 0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 55.66 2yrl s LYS 44 Cb -0.04 -3.90 -0.19 0.00 -1.51 0.00 0.00 37.83 32.19 2yrl s LYS 44 CO 0.02 -1.21 1.21 1.79 -0.36 0.00 0.00 175.35 176.79 2yrl h THR 45 N 6.07 1.39 -3.23 3.43 1.35 -0.31 -3.47 112.91 118.14 2yrl h THR 45 Ca -0.24 -1.80 -0.44 0.00 -0.55 0.00 0.00 66.41 63.38 2yrl h THR 45 Cb 1.07 2.26 -0.14 0.00 -1.73 0.00 0.00 68.15 69.61 2yrl h THR 45 CO 1.04 0.53 -0.58 -1.10 -0.25 0.00 0.00 175.52 175.16 2yrl s GLN 46 N -3.65 1.63 0.00 4.72 -0.21 -0.93 -5.00 119.66 116.22 2yrl s GLN 46 Ca -0.13 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.33 2yrl s GLN 46 Cb 0.05 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.53 2yrl s GLN 46 CO 0.81 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 2yrl n GLY 47 N -0.65 2.32 3.60 3.09 0.00 -1.25 -2.27 105.19 110.03 2yrl n GLY 47 Ca -0.02 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.24 3.45 0.53 1.61 0.04 -1.26 -4.96 135.00 132.16 2yrl s PRO 48 Ca 0.00 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 2yrl s PRO 48 Cb 0.00 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 2yrl s PRO 48 CO 0.00 -1.72 0.67 -0.40 0.04 0.00 0.00 177.00 175.59 2yrl n ASP 49 N 9.72 -0.41 0.00 6.66 5.75 -1.26 -4.17 116.55 132.85 2yrl n ASP 49 Ca 0.21 0.81 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2yrl n ASP 49 Cb 0.47 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 2yrl n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yrl n GLY 50 N 1.62 3.76 3.18 6.12 0.00 -1.26 -5.12 105.19 113.49 2yrl n GLY 50 Ca 0.12 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 0.14 -5.21 1.61 0.24 -1.26 -4.98 118.33 108.87 2yrl n VAL 51 Ca 0.00 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.34 61.59 2yrl n VAL 51 Cb 0.00 -0.24 -0.17 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.47 2.66 -0.18 7.34 -1.52 0.15 -4.95 119.66 120.69 2yrl s GLN 52 Ca 0.48 -0.87 -0.04 0.00 -1.95 0.00 0.00 55.36 52.98 2yrl s GLN 52 Cb -0.23 -2.16 -0.02 0.00 -0.22 0.00 0.00 33.01 30.38 2yrl s GLN 52 CO 0.75 0.29 -0.02 -0.51 -0.25 0.00 0.00 175.29 175.55 2yrl s LEU 53 N 0.04 3.23 -0.04 2.90 1.43 -1.26 -0.50 118.68 124.48 2yrl s LEU 53 Ca -0.09 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2yrl s LEU 53 Cb -0.15 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2yrl s LEU 53 CO 0.05 0.12 -0.13 -1.61 0.23 0.00 0.00 176.35 175.01 2yrl s GLU 54 N 0.67 2.52 -1.37 1.70 2.02 0.00 -4.59 118.70 119.66 2yrl s GLU 54 Ca -0.01 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 2yrl s GLU 54 Cb -0.14 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.68 2yrl s GLU 54 CO 0.02 0.63 0.67 0.09 0.02 0.00 0.00 175.26 176.69 2yrl n ASN 55 N 2.20 -5.78 0.33 -0.19 3.02 -1.26 -1.54 115.26 112.03 2yrl n ASN 55 Ca -0.17 -0.31 0.22 0.00 -0.03 0.00 0.00 54.58 54.28 2yrl n ASN 55 Cb 0.52 -4.56 1.12 0.00 -0.61 0.00 0.00 39.78 36.25 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 0.91 1.00 -0.31 5.41 0.00 -1.84 -1.41 119.26 123.02 2yrl h ALA 56 Ca -0.49 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2yrl h ALA 56 Cb 1.33 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2yrl h ALA 56 CO 0.51 0.00 0.12 -1.71 0.00 0.00 0.00 179.25 178.18 2yrl n ASN 57 N -3.09 3.10 -4.16 0.00 2.85 -1.26 -0.92 115.26 111.79 2yrl n ASN 57 Ca -0.02 -2.50 -0.10 0.00 -0.11 0.00 0.00 54.58 51.85 2yrl n ASN 57 Cb 0.12 -0.60 -0.10 0.00 1.24 0.00 0.00 39.78 40.43 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2yrl s SER 58 N -0.14 0.70 0.07 1.20 0.15 -0.53 -4.64 113.70 110.52 2yrl s SER 58 Ca 0.23 -1.11 0.10 0.00 0.70 0.00 0.00 55.95 55.87 2yrl s SER 58 Cb 0.18 0.20 0.47 0.00 -1.71 0.00 0.00 66.02 65.16 2yrl s SER 58 CO 0.06 -0.61 1.32 -1.20 1.20 0.00 0.00 173.24 174.00 2yrl n SER 59 N -0.06 0.15 -3.89 5.45 7.64 -1.26 -4.29 113.62 117.36 2yrl n SER 59 Ca -0.09 0.55 -0.29 0.00 1.01 0.00 0.00 58.87 60.05 2yrl n SER 59 Cb 0.62 -0.58 -0.16 0.00 -1.01 0.00 0.00 64.21 63.08 2yrl n SER 59 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2yrl s VAL 60 N -3.11 1.27 0.26 0.44 1.01 -1.26 -0.33 120.40 118.68 2yrl s VAL 60 Ca 0.02 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.10 2yrl s VAL 60 Cb 0.05 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2yrl s VAL 60 CO 0.16 -0.07 0.08 0.00 0.00 0.00 0.00 175.10 175.27 2yrl s ALA 61 N 1.52 3.34 -0.15 5.51 0.00 -0.78 -4.72 121.76 126.48 2yrl s ALA 61 Ca -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 2yrl s ALA 61 Cb -0.18 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 21.98 2yrl s ALA 61 CO -0.07 0.26 -0.07 0.99 0.00 0.00 0.00 175.76 176.87 2yrl s THR 62 N -2.25 1.16 -0.35 0.00 2.01 -0.59 0.32 115.64 115.94 2yrl s THR 62 Ca 0.32 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.64 2yrl s THR 62 Cb -0.07 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2yrl s THR 62 CO 0.22 0.23 0.24 -0.69 -0.69 0.00 0.00 174.62 173.93 2yrl s VAL 63 N 1.63 5.17 0.13 3.82 1.01 -0.35 -0.82 120.40 130.99 2yrl s VAL 63 Ca 0.02 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2yrl s VAL 63 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2yrl s VAL 63 CO -0.08 -0.06 -0.01 0.42 0.00 0.00 0.00 175.10 175.37 2yrl s THR 64 N 1.70 3.79 0.00 3.92 -4.23 0.35 -2.09 115.64 119.08 2yrl s THR 64 Ca 0.06 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2yrl s THR 64 Cb -0.18 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2yrl s THR 64 CO 0.10 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2yrl n GLY 65 N 0.29 0.86 3.94 3.99 0.00 -0.79 -0.67 105.19 112.81 2yrl n GLY 65 Ca -0.11 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.90 3.52 0.08 0.99 1.43 -0.75 -4.28 118.68 118.77 2yrl s LEU 66 Ca 0.00 0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 2yrl s LEU 66 Cb 0.00 -3.24 0.08 0.00 0.03 0.00 0.00 46.19 43.06 2yrl s LEU 66 CO 0.00 -0.82 0.96 0.00 0.23 0.00 0.00 176.35 176.72 2yrl s GLN 67 N -4.68 0.98 -0.35 1.70 1.03 -1.26 -4.66 119.66 112.43 2yrl s GLN 67 Ca 0.50 -0.49 -0.33 0.00 0.04 0.00 0.00 55.36 55.09 2yrl s GLN 67 Cb -0.10 0.37 -0.14 0.00 0.03 0.00 0.00 33.01 33.17 2yrl s GLN 67 CO 0.40 -0.44 1.13 0.28 -2.54 0.00 0.00 175.29 174.11 2yrl n VAL 68 N -0.38 0.00 -1.87 3.63 0.31 -1.26 -4.64 118.33 114.12 2yrl n VAL 68 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2yrl n VAL 68 Cb 0.61 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 2.80 -0.85 3.13 2.92 0.00 -1.18 -4.95 105.19 107.05 2yrl n GLY 69 Ca 0.22 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.37 2.06 -0.10 2.61 -4.23 -1.26 -1.81 115.64 110.54 2yrl s THR 70 Ca 0.00 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2yrl s THR 70 Cb 0.00 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 2yrl s THR 70 CO 0.00 0.54 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.17 2yrl s TYR 71 N 1.23 2.76 -0.25 3.99 1.51 -0.08 -3.87 117.35 122.64 2yrl s TYR 71 Ca 0.03 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2yrl s TYR 71 Cb -0.13 -1.76 0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2yrl s TYR 71 CO -0.12 -0.08 -0.11 0.08 -1.11 0.00 0.00 175.55 174.22 2yrl s VAL 72 N -0.03 2.26 -0.22 0.71 1.01 -0.96 -0.78 120.40 122.39 2yrl s VAL 72 Ca -0.03 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.42 2yrl s VAL 72 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2yrl s VAL 72 CO 0.04 0.06 -0.00 -0.36 0.00 0.00 0.00 175.10 174.84 2yrl s PHE 73 N 1.15 3.01 -0.31 5.22 0.40 -1.20 0.49 117.98 126.75 2yrl s PHE 73 Ca -0.06 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 2yrl s PHE 73 Cb -0.19 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 2yrl s PHE 73 CO -0.06 -0.38 0.21 0.99 0.70 0.00 0.00 175.22 176.69 2yrl s THR 74 N 1.29 5.28 -0.44 0.64 2.01 -0.18 -2.31 115.64 121.94 2yrl s THR 74 Ca 0.04 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 2yrl s THR 74 Cb -0.15 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.77 2yrl s THR 74 CO 0.00 0.12 0.57 -0.22 -0.69 0.00 0.00 174.62 174.40 2yrl s LEU 75 N 1.74 4.69 -0.19 4.42 2.96 0.14 -3.25 118.68 129.18 2yrl s LEU 75 Ca 0.06 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.32 2yrl s LEU 75 Cb -0.17 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 2yrl s LEU 75 CO 0.11 -0.72 0.26 -0.89 -1.32 0.00 0.00 176.35 173.78 2yrl s THR 76 N 2.55 5.32 0.05 3.68 2.01 -1.04 -1.99 115.64 126.22 2yrl s THR 76 Ca 0.18 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.65 2yrl s THR 76 Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2yrl s THR 76 CO 0.16 0.37 -0.07 0.68 -0.69 0.00 0.00 174.62 175.07 2yrl s VAL 77 N 0.68 0.53 -0.01 3.82 -7.23 0.08 -1.82 120.40 116.44 2yrl s VAL 77 Ca 0.14 -1.17 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 2yrl s VAL 77 Cb -0.13 -0.71 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 2yrl s VAL 77 CO 0.03 -0.45 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.60 2yrl s LYS 78 N -1.83 1.91 0.50 4.82 1.02 -1.24 -2.35 119.74 122.56 2yrl s LYS 78 Ca -0.08 -0.87 0.09 0.00 0.02 0.00 0.00 55.97 55.13 2yrl s LYS 78 Cb -0.08 -1.86 0.05 0.00 -0.52 0.00 0.00 37.83 35.41 2yrl s LYS 78 CO -0.00 0.51 0.66 0.16 -0.92 0.00 0.00 175.35 175.76 2yrl s ASP 79 N -0.62 5.34 0.53 2.83 1.47 -1.20 -2.01 116.67 123.01 2yrl s ASP 79 Ca 0.09 -0.66 0.35 0.00 1.18 0.00 0.00 52.55 53.51 2yrl s ASP 79 Cb -0.09 -0.17 1.52 0.00 -0.34 0.00 0.00 42.92 43.83 2yrl s ASP 79 CO -0.01 -1.04 1.81 -0.08 0.68 0.00 0.00 175.17 176.54 2yrl h GLU 80 N 0.45 0.03 -0.94 2.11 4.57 -1.94 0.83 114.58 119.68 2yrl h GLU 80 Ca -0.35 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.74 2yrl h GLU 80 Cb 1.28 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.82 2yrl h GLU 80 CO 0.44 0.02 0.10 0.54 -1.18 0.00 0.00 179.01 178.93 2yrl n ARG 81 N -4.22 1.72 -2.48 1.92 5.12 -1.26 -4.83 116.66 112.63 2yrl n ARG 81 Ca 0.25 -0.90 -0.02 0.00 -1.93 0.00 0.00 57.85 55.25 2yrl n ARG 81 Cb 1.19 -1.52 -0.00 0.00 -1.16 0.00 0.00 32.46 30.97 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 0.09 -1.41 -4.73 0.55 4.13 0.29 -4.84 115.26 109.34 2yrl n ASN 82 Ca 0.13 0.45 -0.41 0.00 1.68 0.00 0.00 54.58 56.43 2yrl n ASN 82 Cb 0.70 -1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 37.57 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2yrl s LEU 83 N -5.07 4.47 -0.33 3.41 1.43 -1.25 -4.84 118.68 116.50 2yrl s LEU 83 Ca 0.00 1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 54.76 2yrl s LEU 83 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2yrl s LEU 83 CO 0.00 -0.16 0.73 -1.58 0.23 0.00 0.00 176.35 175.57 2yrl s GLN 84 N 0.08 3.83 -0.07 1.70 0.74 -1.26 -3.26 119.66 121.42 2yrl s GLN 84 Ca 0.49 0.34 -0.03 0.00 0.05 0.00 0.00 55.36 56.22 2yrl s GLN 84 Cb -0.25 -3.77 0.04 0.00 1.10 0.00 0.00 33.01 30.13 2yrl s GLN 84 CO 0.31 -0.72 0.15 -1.12 -0.55 0.00 0.00 175.29 173.36 2yrl s SER 85 N 1.73 0.28 0.10 6.67 0.01 -0.99 -4.86 113.70 116.64 2yrl s SER 85 Ca 0.29 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 2yrl s SER 85 Cb -0.14 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2yrl s SER 85 CO 0.14 -0.19 0.02 0.00 0.41 0.00 0.00 173.24 173.62 2yrl s GLN 86 N 1.68 0.82 -0.12 12.44 -2.07 -1.26 -0.75 119.66 130.40 2yrl s GLN 86 Ca -0.04 -1.36 -0.11 0.00 -1.82 0.00 0.00 55.36 52.03 2yrl s GLN 86 Cb -0.12 0.22 0.03 0.00 -1.09 0.00 0.00 33.01 32.05 2yrl s GLN 86 CO -0.06 -0.20 0.32 0.45 -1.32 0.00 0.00 175.29 174.48 2yrl s SER 87 N -3.01 -0.34 0.20 12.60 0.15 -0.84 -4.67 113.70 117.80 2yrl s SER 87 Ca 0.18 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.52 2yrl s SER 87 Cb 0.08 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2yrl s SER 87 CO -0.02 -0.12 0.29 -0.44 1.20 0.00 0.00 173.24 174.15 2yrl s SER 88 N 0.27 6.14 -0.00 5.45 0.01 -1.26 -0.68 113.70 123.62 2yrl s SER 88 Ca -0.01 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.32 2yrl s SER 88 Cb -0.03 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 2yrl s SER 88 CO -0.00 -0.01 -0.08 0.54 0.41 0.00 0.00 173.24 174.10 2yrl s VAL 89 N -1.89 0.62 -0.34 3.43 0.11 -0.98 -4.89 120.40 116.48 2yrl s VAL 89 Ca 0.34 -0.38 -0.23 0.00 -2.93 0.00 0.00 61.98 58.78 2yrl s VAL 89 Cb -0.10 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2yrl s VAL 89 CO 0.28 0.15 0.76 0.20 -3.33 0.00 0.00 175.10 173.15 2yrl s ASN 90 N -0.27 6.57 -0.38 3.54 0.01 -1.26 -3.26 114.94 119.90 2yrl s ASN 90 Ca 0.02 0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 52.59 2yrl s ASN 90 Cb -0.03 -2.39 0.08 0.00 0.41 0.00 0.00 41.25 39.32 2yrl s ASN 90 CO -0.00 -0.65 0.16 -0.69 -1.51 0.00 0.00 177.10 174.40 2yrl s VAL 91 N 2.97 3.41 -0.13 1.60 1.01 0.04 -1.01 120.40 128.30 2yrl s VAL 91 Ca 0.30 -1.71 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 2yrl s VAL 91 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2yrl s VAL 91 CO 0.15 -0.48 0.21 -0.63 0.00 0.00 0.00 175.10 174.35 2yrl s ILE 92 N 1.24 5.37 -0.10 2.22 1.01 0.45 -0.90 121.20 130.49 2yrl s ILE 92 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2yrl s ILE 92 Cb -0.22 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2yrl s ILE 92 CO -0.02 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.56 2yrl s VAL 93 N -0.42 2.43 0.34 2.92 1.01 -0.75 -1.20 120.40 124.73 2yrl s VAL 93 Ca 0.15 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2yrl s VAL 93 Cb -0.13 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2yrl s VAL 93 CO 0.04 0.55 -0.06 -0.54 0.00 0.00 0.00 175.10 175.10 2yrl s LYS 94 N 0.16 1.78 0.70 2.72 3.01 0.53 -3.10 119.74 125.53 2yrl s LYS 94 Ca -0.11 -1.94 -0.05 0.00 -1.01 0.00 0.00 55.97 52.86 2yrl s LYS 94 Cb -0.16 -1.53 0.08 0.00 -1.01 0.00 0.00 37.83 35.21 2yrl s LYS 94 CO 0.06 0.06 0.99 -1.21 0.51 0.00 0.00 175.35 175.77 2yrl s GLU 95 N -3.67 2.06 0.22 1.68 2.02 -1.26 -0.65 118.70 119.09 2yrl s GLU 95 Ca 0.33 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.66 2yrl s GLU 95 Cb 0.05 -2.23 -0.08 0.00 0.10 0.00 0.00 34.13 31.97 2yrl s GLU 95 CO 0.16 -1.26 0.65 -2.00 0.02 0.00 0.00 175.26 172.82 2yrl s GLU 96 N -5.19 4.06 -0.76 1.61 2.56 -1.26 -4.43 118.70 115.30 2yrl s GLU 96 Ca 0.62 0.64 0.03 0.00 0.00 0.00 0.00 54.97 56.26 2yrl s GLU 96 Cb -0.09 -2.78 0.20 0.00 2.00 0.00 0.00 34.13 33.46 2yrl s GLU 96 CO 0.44 0.36 0.64 0.45 -0.56 0.00 0.00 175.26 176.60 2yrl n SER 97 N 0.43 3.56 0.00 -1.70 2.88 -1.26 -5.06 113.62 112.47 2yrl n SER 97 Ca -0.02 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2yrl n SER 97 Cb 0.52 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 1.82 -0.24 3.77 0.46 0.00 -1.26 -4.81 105.19 104.93 2yrl n GLY 98 Ca 0.22 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 4.27 -0.24 1.61 0.04 -1.26 -5.03 135.00 134.39 2yrl s PRO 99 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2yrl s PRO 99 Cb 0.00 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.66 2yrl s PRO 99 CO 0.00 -0.18 -0.10 -1.54 0.04 0.00 0.00 177.00 175.22 2yrl s SER 100 N -0.84 4.15 -0.28 6.66 1.04 -1.26 -5.08 113.70 118.09 2yrl s SER 100 Ca 0.52 -1.01 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 2yrl s SER 100 Cb -0.34 -1.60 0.13 0.00 0.10 0.00 0.00 66.02 64.31 2yrl s SER 100 CO 0.45 -0.13 1.07 -0.55 0.98 0.00 0.00 173.24 175.05 2yrl s SER 101 N 1.25 -0.42 0.00 7.02 0.15 -1.26 -5.24 113.70 115.19 2yrl s SER 101 Ca -0.02 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.71 2yrl s SER 101 Cb -0.17 0.84 1.20 0.00 -1.71 0.00 0.00 66.02 66.17 2yrl s SER 101 CO -0.06 -0.14 1.83 0.61 1.20 0.00 0.00 173.24 176.68