#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 -0.67 0.15 1.61 0.15 -1.26 -5.14 113.70 108.55 2yrl s SER 2 Ca 0.00 0.75 -0.33 0.00 0.70 0.00 0.00 55.95 57.06 2yrl s SER 2 Cb 0.00 1.69 -0.13 0.00 -1.71 0.00 0.00 66.02 65.87 2yrl s SER 2 CO 0.00 -0.13 1.63 -1.54 1.20 0.00 0.00 173.24 174.40 2yrl n SER 3 N 5.15 3.29 -3.70 5.45 3.41 -1.26 -4.98 113.62 120.99 2yrl n SER 3 Ca -0.08 1.07 -0.11 0.00 -0.26 0.00 0.00 58.87 59.49 2yrl n SER 3 Cb 0.52 -1.45 -0.06 0.00 -0.26 0.00 0.00 64.21 62.96 2yrl n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yrl s GLY 4 N 1.20 -0.19 0.00 5.00 0.00 -1.26 -5.07 107.32 107.00 2yrl s GLY 4 Ca 0.79 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2yrl s GLY 4 CO 0.38 -0.20 0.00 1.44 0.00 0.00 0.00 173.10 174.72 2yrl n SER 5 N 0.29 0.57 -3.90 1.64 7.64 -1.26 -5.08 113.62 113.51 2yrl n SER 5 Ca -0.18 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 2yrl n SER 5 Cb 0.61 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 64.06 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 -4.78 0.33 0.20 6.43 0.01 -1.26 -5.08 113.70 109.56 2yrl s SER 6 Ca 0.00 0.93 -0.17 0.00 1.31 0.00 0.00 55.95 58.02 2yrl s SER 6 Cb 0.00 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.88 2yrl s SER 6 CO 0.00 -4.52 0.52 -0.83 0.41 0.00 0.00 173.24 168.82 2yrl s GLY 7 N -3.30 -0.02 -1.14 3.44 0.00 -1.26 -5.02 107.32 100.02 2yrl s GLY 7 Ca 0.69 -0.31 -0.10 0.00 0.00 0.00 0.00 44.72 45.01 2yrl s GLY 7 CO 0.59 -0.31 1.28 -1.06 0.00 0.00 0.00 173.10 173.60 2yrl n GLN 8 N -0.35 3.62 -3.67 2.90 3.00 -1.26 -4.94 117.38 116.69 2yrl n GLN 8 Ca -0.09 -4.28 -0.08 0.00 -0.01 0.00 0.00 57.00 52.54 2yrl n GLN 8 Cb 0.62 -2.68 -0.09 0.00 0.00 0.00 0.00 30.24 28.09 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 -0.72 -1.32 -0.30 -1.58 0.00 -1.26 -4.66 121.76 111.92 2yrl s ALA 9 Ca 0.34 1.75 0.01 0.00 0.00 0.00 0.00 51.96 54.07 2yrl s ALA 9 Cb -0.06 -1.23 0.07 0.00 0.00 0.00 0.00 23.12 21.90 2yrl s ALA 9 CO -0.03 -0.52 -0.02 0.34 0.00 0.00 0.00 175.76 175.53 2yrl s ASP 10 N 2.00 4.70 -0.23 0.00 -1.08 -1.26 -4.55 116.67 116.24 2yrl s ASP 10 Ca -0.07 -1.58 -0.01 0.00 -0.52 0.00 0.00 52.55 50.37 2yrl s ASP 10 Cb -0.09 -1.63 0.13 0.00 -1.46 0.00 0.00 42.92 39.86 2yrl s ASP 10 CO -0.15 -0.28 2.13 0.00 0.52 0.00 0.00 175.17 177.40 2yrl n ALA 11 N 4.46 4.97 -1.26 3.66 0.00 -1.26 -4.63 120.51 126.44 2yrl n ALA 11 Ca -0.09 -1.33 0.14 0.00 0.00 0.00 0.00 53.44 52.16 2yrl n ALA 11 Cb 0.42 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 0.77 -2.43 3.69 0.00 0.00 -1.26 -4.63 105.19 101.32 2yrl n GLY 12 Ca 0.24 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.01 0.72 0.39 1.61 0.04 -1.26 -4.89 135.00 127.59 2yrl s PRO 13 Ca 0.00 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.43 2yrl s PRO 13 Cb 0.00 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 2yrl s PRO 13 CO 0.00 -2.56 0.55 -0.40 0.04 0.00 0.00 177.00 174.63 2yrl n ASP 14 N -4.07 -0.87 -4.36 6.66 5.75 -1.26 -4.89 116.55 113.51 2yrl n ASP 14 Ca 0.06 0.95 -0.34 0.00 -0.01 0.00 0.00 54.79 55.44 2yrl n ASP 14 Cb 0.56 -1.10 -0.14 0.00 -1.03 0.00 0.00 41.12 39.42 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 -1.48 3.43 -0.31 0.11 -0.14 -0.66 -5.04 119.74 115.65 2yrl s LYS 15 Ca 0.62 -0.63 0.02 0.00 -1.36 0.00 0.00 55.97 54.62 2yrl s LYS 15 Cb -0.64 -2.85 0.09 0.00 -1.68 0.00 0.00 37.83 32.74 2yrl s LYS 15 CO 0.58 0.02 0.04 -2.00 -0.76 0.00 0.00 175.35 173.23 2yrl s GLU 16 N 0.88 1.31 0.07 1.68 2.12 -1.26 -0.46 118.70 123.04 2yrl s GLU 16 Ca -0.02 -1.44 0.01 0.00 0.36 0.00 0.00 54.97 53.88 2yrl s GLU 16 Cb -0.15 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 2yrl s GLU 16 CO 0.01 -0.87 0.18 -0.51 -0.54 0.00 0.00 175.26 173.53 2yrl s LEU 17 N 1.22 4.23 -0.19 2.70 1.43 -0.30 -5.00 118.68 122.76 2yrl s LEU 17 Ca 0.06 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2yrl s LEU 17 Cb -0.18 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.24 2yrl s LEU 17 CO -0.13 0.17 -0.02 -0.89 0.23 0.00 0.00 176.35 175.72 2yrl s THR 18 N -1.49 0.97 0.76 5.49 2.01 -1.26 -0.32 115.64 121.80 2yrl s THR 18 Ca 0.34 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2yrl s THR 18 Cb -0.13 -1.31 -0.14 0.00 0.01 0.00 0.00 72.50 70.93 2yrl s THR 18 CO 0.27 -0.07 -0.51 0.18 -0.69 0.00 0.00 174.62 173.80 2yrl n LEU 19 N 4.89 -4.83 0.00 4.42 4.77 -0.32 -2.22 117.00 123.71 2yrl n LEU 19 Ca -0.11 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 2yrl n LEU 19 Cb 0.46 -0.75 0.43 0.00 -2.33 0.00 0.00 43.42 41.23 2yrl n LEU 19 CO 0.15 -5.26 0.68 -0.81 -1.33 0.00 0.00 177.39 170.83 2yrl n PRO 20 N 1.99 0.38 -1.51 3.23 -0.04 -1.26 -3.21 135.00 134.57 2yrl n PRO 20 Ca 0.02 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 2yrl n PRO 20 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.11 0.52 0.31 -0.94 -4.76 118.33 110.24 2yrl n VAL 21 Ca 0.10 -0.44 -0.08 0.00 -0.01 0.00 0.00 64.34 63.91 2yrl n VAL 21 Cb 0.08 -1.87 0.08 0.00 -0.91 0.00 0.00 33.84 31.22 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 12.95 2.92 -3.79 4.52 5.68 -1.26 -4.15 116.55 133.41 2yrl n ASP 22 Ca 0.46 -3.27 -0.13 0.00 -0.50 0.00 0.00 54.79 51.36 2yrl n ASP 22 Cb 0.32 -0.41 -0.13 0.00 -1.14 0.00 0.00 41.12 39.76 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 -3.34 -0.16 -0.12 -1.12 1.04 -1.26 -2.67 113.70 106.07 2yrl s SER 23 Ca 0.41 0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.97 2yrl s SER 23 Cb 0.38 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.86 2yrl s SER 23 CO -0.03 -0.08 0.52 0.28 0.98 0.00 0.00 173.24 174.90 2yrl s THR 24 N 0.41 0.01 -0.22 2.02 -1.32 -1.07 -5.02 115.64 110.46 2yrl s THR 24 Ca -0.03 -0.11 -0.07 0.00 -1.21 0.00 0.00 61.69 60.27 2yrl s THR 24 Cb -0.04 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 2yrl s THR 24 CO -0.02 -0.06 0.07 0.42 -2.21 0.00 0.00 174.62 172.82 2yrl s THR 25 N -0.47 4.58 -0.84 5.08 -4.23 -1.26 -1.40 115.64 117.09 2yrl s THR 25 Ca -0.06 -0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.17 2yrl s THR 25 Cb -0.03 -3.10 0.14 0.00 1.34 0.00 0.00 72.50 70.85 2yrl s THR 25 CO 0.04 0.39 0.98 -0.76 -0.54 0.00 0.00 174.62 174.74 2yrl s LEU 26 N 1.00 5.39 -0.34 4.79 1.43 0.86 -4.90 118.68 126.90 2yrl s LEU 26 Ca 0.04 -2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 50.98 2yrl s LEU 26 Cb -0.14 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2yrl s LEU 26 CO 0.03 -1.00 0.37 1.51 0.23 0.00 0.00 176.35 177.49 2yrl s ASP 27 N 3.34 6.19 -0.47 2.29 -4.77 -1.26 -1.92 116.67 120.07 2yrl s ASP 27 Ca 0.26 -0.21 0.03 0.00 -3.30 0.00 0.00 52.55 49.33 2yrl s ASP 27 Cb -0.09 -2.20 0.47 0.00 -1.09 0.00 0.00 42.92 40.00 2yrl s ASP 27 CO -0.06 -0.35 1.63 0.61 0.70 0.00 0.00 175.17 177.71 2yrl n GLY 28 N 4.94 5.93 0.24 2.12 0.00 -1.01 -4.64 105.19 112.77 2yrl n GLY 28 Ca -0.09 -2.28 0.07 0.00 0.00 0.00 0.00 46.02 43.72 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 1.92 0.00 -0.94 1.61 4.64 -1.88 -2.96 113.55 115.94 2yrl h SER 29 Ca 0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.29 2yrl h SER 29 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 2yrl h SER 29 CO 1.11 0.13 0.63 0.29 -0.87 0.00 0.00 176.83 178.11 2yrl n LYS 30 N -4.26 2.67 -0.08 4.77 4.76 -1.26 -4.46 118.16 120.30 2yrl n LYS 30 Ca -0.03 -2.34 -0.19 0.00 -2.87 0.00 0.00 58.31 52.89 2yrl n LYS 30 Cb 0.20 -2.20 -0.12 0.00 -1.84 0.00 0.00 35.03 31.06 2yrl n LYS 30 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2yrl h SER 31 N 3.25 0.03 -4.55 4.39 0.87 -1.78 -3.38 113.55 112.39 2yrl h SER 31 Ca 0.42 -0.74 -0.08 0.00 -1.23 0.00 0.00 61.79 60.15 2yrl h SER 31 Cb 0.75 -0.01 -0.21 0.00 -0.44 0.00 0.00 62.40 62.49 2yrl h SER 31 CO 0.90 1.30 -0.03 -0.55 -0.53 0.00 0.00 176.83 177.91 2yrl s SER 32 N -6.61 -0.51 -0.03 6.23 0.15 -1.26 -4.04 113.70 107.63 2yrl s SER 32 Ca -0.24 0.73 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 2yrl s SER 32 Cb 0.02 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.04 2yrl s SER 32 CO 0.65 -0.39 -0.15 0.47 1.20 0.00 0.00 173.24 175.01 2yrl n ASP 33 N 1.79 1.39 -0.34 5.45 9.92 -1.26 -4.70 116.55 128.80 2yrl n ASP 33 Ca -0.17 0.21 0.10 0.00 -0.53 0.00 0.00 54.79 54.40 2yrl n ASP 33 Cb 0.56 -0.50 0.21 0.00 -0.64 0.00 0.00 41.12 40.75 2yrl n ASP 33 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2yrl n ASP 34 N -3.83 -0.23 -4.80 -2.24 2.03 -1.26 -4.52 116.55 101.70 2yrl n ASP 34 Ca -0.06 1.63 -0.27 0.00 0.52 0.00 0.00 54.79 56.61 2yrl n ASP 34 Cb 0.22 -0.54 -0.05 0.00 -0.72 0.00 0.00 41.12 40.03 2yrl n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yrl s GLN 35 N -6.07 2.22 0.16 -0.67 -2.07 -1.26 -5.15 119.66 106.82 2yrl s GLN 35 Ca -0.13 -2.05 0.07 0.00 -1.82 0.00 0.00 55.36 51.43 2yrl s GLN 35 Cb 0.27 -1.90 -0.04 0.00 -1.09 0.00 0.00 33.01 30.25 2yrl s GLN 35 CO 0.75 -0.34 -0.01 -1.59 -1.32 0.00 0.00 175.29 172.78 2yrl s LYS 36 N -4.02 2.39 -0.06 9.60 0.00 -1.26 -4.77 119.74 121.61 2yrl s LYS 36 Ca 0.30 -1.08 0.05 0.00 0.00 0.00 0.00 55.97 55.23 2yrl s LYS 36 Cb 0.01 -2.36 -0.01 0.00 0.00 0.00 0.00 37.83 35.46 2yrl s LYS 36 CO 0.17 0.46 -0.21 0.42 0.00 0.00 0.00 175.35 176.19 2yrl s ILE 37 N -1.66 2.38 -0.30 3.79 1.09 -1.26 -4.00 121.20 121.24 2yrl s ILE 37 Ca 0.27 -0.95 0.10 0.00 -1.10 0.00 0.00 60.65 58.97 2yrl s ILE 37 Cb -0.10 -1.90 0.46 0.00 -1.06 0.00 0.00 42.46 39.87 2yrl s ILE 37 CO 0.18 0.57 1.16 2.30 -0.10 0.00 0.00 174.94 179.06 2yrl n ILE 38 N 2.87 2.28 -3.62 2.92 -5.35 -1.08 -5.02 119.36 112.35 2yrl n ILE 38 Ca -0.17 -4.05 -0.13 0.00 -0.27 0.00 0.00 62.75 58.12 2yrl n ILE 38 Cb 0.52 -0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 37.63 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2yrl s SER 39 N -3.62 -0.68 -0.15 7.28 0.01 -1.25 -4.90 113.70 110.39 2yrl s SER 39 Ca 0.46 1.27 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 2yrl s SER 39 Cb 0.40 1.27 0.05 0.00 0.21 0.00 0.00 66.02 67.95 2yrl s SER 39 CO 0.01 -0.26 0.37 -0.31 0.41 0.00 0.00 173.24 173.45 2yrl s TYR 40 N 0.21 -0.52 -0.08 2.43 2.02 -1.26 -3.92 117.35 116.24 2yrl s TYR 40 Ca -0.00 1.13 -0.03 0.00 -0.37 0.00 0.00 57.07 57.80 2yrl s TYR 40 Cb -0.05 0.20 0.04 0.00 -0.40 0.00 0.00 41.96 41.76 2yrl s TYR 40 CO 0.00 -0.30 0.17 -1.17 -1.57 0.00 0.00 175.55 172.68 2yrl s LEU 41 N 1.23 0.41 -0.22 -1.29 2.96 -0.89 -4.08 118.68 116.80 2yrl s LEU 41 Ca -0.08 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2yrl s LEU 41 Cb -0.08 0.40 0.04 0.00 0.50 0.00 0.00 46.19 47.06 2yrl s LEU 41 CO -0.10 -0.18 -0.13 0.26 -1.32 0.00 0.00 176.35 174.87 2yrl s TRP 42 N 1.55 2.94 -0.01 5.38 0.52 -0.94 -2.06 118.94 126.33 2yrl s TRP 42 Ca -0.05 -1.97 -0.03 0.00 0.02 0.00 0.00 56.10 54.07 2yrl s TRP 42 Cb -0.12 -1.86 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 2yrl s TRP 42 CO -0.06 -0.83 0.05 -1.21 0.02 0.00 0.00 176.95 174.92 2yrl s GLU 43 N 1.22 0.22 -0.27 4.98 0.41 -1.24 -4.83 118.70 119.20 2yrl s GLU 43 Ca -0.03 -0.21 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 2yrl s GLU 43 Cb -0.17 0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.27 2yrl s GLU 43 CO -0.08 -0.04 0.87 0.21 -0.49 0.00 0.00 175.26 175.73 2yrl s LYS 44 N -0.67 4.13 -0.05 1.61 2.20 -1.26 -1.33 119.74 124.36 2yrl s LYS 44 Ca -0.07 0.92 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 2yrl s LYS 44 Cb -0.05 -3.68 -0.29 0.00 -1.51 0.00 0.00 37.83 32.31 2yrl s LYS 44 CO 0.00 -0.62 0.64 1.79 -0.36 0.00 0.00 175.35 176.80 2yrl h THR 45 N 5.51 0.90 -3.63 3.43 1.35 -0.59 -3.48 112.91 116.40 2yrl h THR 45 Ca -0.22 -2.54 -0.34 0.00 -0.55 0.00 0.00 66.41 62.76 2yrl h THR 45 Cb 1.09 2.69 -0.14 0.00 -1.73 0.00 0.00 68.15 70.05 2yrl h THR 45 CO 0.91 0.84 -0.64 -1.10 -0.25 0.00 0.00 175.52 175.28 2yrl s GLN 46 N -2.58 1.28 0.00 4.72 -0.21 -1.11 -5.00 119.66 116.76 2yrl s GLN 46 Ca -0.16 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.57 2yrl s GLN 46 Cb 0.06 -0.37 0.00 0.00 1.00 0.00 0.00 33.01 33.70 2yrl s GLN 46 CO 0.83 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.24 2yrl n GLY 47 N -0.37 1.62 3.76 3.09 0.00 -1.25 -2.26 105.19 109.78 2yrl n GLY 47 Ca -0.04 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.01 4.44 -0.22 1.61 0.04 -1.26 -5.00 135.00 132.60 2yrl s PRO 48 Ca 0.00 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 2yrl s PRO 48 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2yrl s PRO 48 CO 0.00 -0.10 0.68 -0.51 0.04 0.00 0.00 177.00 177.11 2yrl s ASP 49 N -0.31 6.69 0.00 6.66 1.11 -1.26 -4.55 116.67 125.00 2yrl s ASP 49 Ca 0.50 0.84 0.00 0.00 0.18 0.00 0.00 52.55 54.08 2yrl s ASP 49 Cb -0.36 -2.37 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2yrl s ASP 49 CO 0.45 -0.36 0.00 0.61 1.18 0.00 0.00 175.17 177.05 2yrl n GLY 50 N 3.90 0.06 3.67 0.21 0.00 -1.26 -5.16 105.19 106.62 2yrl n GLY 50 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.27 -0.23 1.61 -7.23 -1.25 -4.92 120.40 110.65 2yrl s VAL 51 Ca 0.00 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2yrl s VAL 51 Cb 0.00 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.47 2yrl s VAL 51 CO 0.00 -0.12 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.45 2yrl s GLN 52 N -4.89 2.33 -0.27 4.82 -0.21 0.71 -4.93 119.66 117.21 2yrl s GLN 52 Ca 0.65 -1.11 -0.17 0.00 0.02 0.00 0.00 55.36 54.75 2yrl s GLN 52 Cb -0.19 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 2yrl s GLN 52 CO 0.58 -0.46 0.45 -0.51 -2.12 0.00 0.00 175.29 173.23 2yrl s LEU 53 N 1.22 4.07 0.08 2.90 1.43 -1.26 -1.91 118.68 125.22 2yrl s LEU 53 Ca -0.04 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2yrl s LEU 53 Cb -0.18 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2yrl s LEU 53 CO -0.08 -0.26 -0.01 -1.61 0.23 0.00 0.00 176.35 174.63 2yrl s GLU 54 N 2.21 2.54 -1.46 1.70 0.41 -0.07 -4.52 118.70 119.52 2yrl s GLU 54 Ca 0.18 -0.83 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 2yrl s GLU 54 Cb -0.16 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2yrl s GLU 54 CO 0.10 0.54 0.32 0.09 -0.49 0.00 0.00 175.26 175.82 2yrl n ASN 55 N 0.64 -5.17 -0.14 -0.19 3.02 -1.26 -2.06 115.26 110.10 2yrl n ASN 55 Ca -0.11 -0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.40 2yrl n ASN 55 Cb 0.52 -4.26 0.45 0.00 -0.61 0.00 0.00 39.78 35.88 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 1.91 -0.23 5.41 0.00 -1.84 -0.54 119.26 124.97 2yrl h ALA 56 Ca -0.46 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2yrl h ALA 56 Cb 1.32 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2yrl h ALA 56 CO 0.52 -0.06 0.16 0.09 0.00 0.00 0.00 179.25 179.96 2yrl n ASN 57 N -4.48 3.74 -4.22 0.00 4.13 -1.26 -2.21 115.26 110.95 2yrl n ASN 57 Ca 0.11 -2.44 -0.13 0.00 1.68 0.00 0.00 54.58 53.80 2yrl n ASN 57 Cb 0.35 -0.69 -0.10 0.00 -1.54 0.00 0.00 39.78 37.80 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2yrl s SER 58 N 0.61 0.83 0.45 6.41 0.01 -0.21 -4.77 113.70 117.03 2yrl s SER 58 Ca 0.13 -1.25 0.11 0.00 1.31 0.00 0.00 55.95 56.26 2yrl s SER 58 Cb 0.11 0.21 1.01 0.00 0.21 0.00 0.00 66.02 67.56 2yrl s SER 58 CO 0.02 -0.68 2.07 0.77 0.41 0.00 0.00 173.24 175.83 2yrl h SER 59 N 2.68 0.23 -3.30 2.44 4.64 -1.88 -3.41 113.55 114.94 2yrl h SER 59 Ca -0.36 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.27 2yrl h SER 59 Cb 1.22 -0.06 -0.32 0.00 -0.31 0.00 0.00 62.40 62.93 2yrl h SER 59 CO 0.60 0.21 -0.85 -0.69 -0.87 0.00 0.00 176.83 175.24 2yrl s VAL 60 N -5.17 2.32 0.32 0.95 1.01 -1.26 -2.40 120.40 116.17 2yrl s VAL 60 Ca -0.06 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.11 2yrl s VAL 60 Cb 0.17 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 2yrl s VAL 60 CO 0.71 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 176.24 2yrl s ALA 61 N 0.49 2.93 -0.06 5.51 0.00 -0.81 -4.70 121.76 125.11 2yrl s ALA 61 Ca -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2yrl s ALA 61 Cb -0.17 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2yrl s ALA 61 CO 0.05 0.15 -0.05 0.99 0.00 0.00 0.00 175.76 176.91 2yrl s THR 62 N -2.56 0.64 -0.26 0.00 2.01 -0.87 -0.10 115.64 114.51 2yrl s THR 62 Ca 0.32 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 2yrl s THR 62 Cb -0.01 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2yrl s THR 62 CO 0.16 0.27 0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 2yrl s VAL 63 N 1.23 3.55 0.05 3.82 1.01 -0.49 -0.89 120.40 128.67 2yrl s VAL 63 Ca -0.06 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2yrl s VAL 63 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2yrl s VAL 63 CO -0.02 0.23 -0.23 0.42 0.00 0.00 0.00 175.10 175.50 2yrl s THR 64 N 1.46 2.41 0.00 3.92 -4.23 -0.80 -2.59 115.64 115.81 2yrl s THR 64 Ca 0.03 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2yrl s THR 64 Cb -0.16 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2yrl s THR 64 CO -0.01 0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2yrl n GLY 65 N 1.65 0.94 3.83 3.99 0.00 -1.09 -0.21 105.19 114.29 2yrl n GLY 65 Ca -0.17 -0.29 -0.37 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 -0.48 4.42 0.15 0.99 1.43 -1.12 -3.97 118.68 120.10 2yrl s LEU 66 Ca 0.00 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2yrl s LEU 66 Cb 0.00 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2yrl s LEU 66 CO 0.00 0.18 -0.15 -1.10 0.23 0.00 0.00 176.35 175.50 2yrl s GLN 67 N -1.58 1.17 -0.69 1.70 -0.21 -1.26 -4.73 119.66 114.07 2yrl s GLN 67 Ca 0.34 -1.38 -0.37 0.00 0.02 0.00 0.00 55.36 53.97 2yrl s GLN 67 Cb -0.17 -1.07 -0.19 0.00 1.00 0.00 0.00 33.01 32.57 2yrl s GLN 67 CO 0.19 0.20 2.29 0.28 -2.12 0.00 0.00 175.29 176.13 2yrl n VAL 68 N 0.22 0.00 -3.35 1.09 0.31 -1.26 -4.70 118.33 110.64 2yrl n VAL 68 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2yrl n VAL 68 Cb 0.58 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 6.77 -1.31 3.60 2.92 0.00 -1.24 -5.01 105.19 110.92 2yrl n GLY 69 Ca 0.57 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.98 3.96 -0.12 2.61 2.01 -1.26 -2.80 115.64 117.05 2yrl s THR 70 Ca 0.00 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2yrl s THR 70 Cb 0.00 -2.66 0.04 0.00 0.01 0.00 0.00 72.50 69.89 2yrl s THR 70 CO 0.00 0.58 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.20 2yrl s TYR 71 N -0.62 1.01 -0.42 4.92 1.51 -0.89 -3.88 117.35 118.99 2yrl s TYR 71 Ca 0.10 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.51 2yrl s TYR 71 Cb -0.12 -0.99 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 2yrl s TYR 71 CO 0.02 -0.47 0.26 0.08 -1.11 0.00 0.00 175.55 174.33 2yrl s VAL 72 N 1.86 4.21 -0.27 0.71 1.01 -0.96 -1.83 120.40 125.13 2yrl s VAL 72 Ca 0.03 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 2yrl s VAL 72 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2yrl s VAL 72 CO -0.07 -0.51 0.14 -0.36 0.00 0.00 0.00 175.10 174.30 2yrl s PHE 73 N 1.42 3.16 -0.39 5.22 0.08 -1.21 0.23 117.98 126.49 2yrl s PHE 73 Ca 0.03 -0.11 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 2yrl s PHE 73 Cb -0.23 -2.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 2yrl s PHE 73 CO 0.02 -0.25 0.40 0.99 -0.10 0.00 0.00 175.22 176.28 2yrl s THR 74 N 1.70 5.13 -0.37 0.64 2.01 -0.44 -2.24 115.64 122.07 2yrl s THR 74 Ca 0.07 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 2yrl s THR 74 Cb -0.16 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2yrl s THR 74 CO 0.08 -0.30 0.50 -0.22 -0.69 0.00 0.00 174.62 173.99 2yrl s LEU 75 N 2.05 4.43 -0.17 4.42 2.96 -0.29 -3.58 118.68 128.50 2yrl s LEU 75 Ca 0.11 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2yrl s LEU 75 Cb -0.17 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2yrl s LEU 75 CO 0.13 -0.51 0.10 -0.89 -1.32 0.00 0.00 176.35 173.85 2yrl s THR 76 N 2.37 5.12 0.01 3.68 2.01 -0.88 -1.31 115.64 126.65 2yrl s THR 76 Ca 0.18 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2yrl s THR 76 Cb -0.16 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 2yrl s THR 76 CO 0.14 0.49 -0.08 0.68 -0.69 0.00 0.00 174.62 175.15 2yrl s VAL 77 N 0.08 0.61 0.24 3.82 -7.23 -0.01 -2.09 120.40 115.82 2yrl s VAL 77 Ca 0.07 -0.58 0.10 0.00 -1.81 0.00 0.00 61.98 59.76 2yrl s VAL 77 Cb -0.12 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2yrl s VAL 77 CO -0.00 -0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.18 2yrl s LYS 78 N -0.65 2.11 0.52 4.82 1.02 -1.25 -2.28 119.74 124.02 2yrl s LYS 78 Ca -0.01 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.56 2yrl s LYS 78 Cb -0.05 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2yrl s LYS 78 CO 0.00 0.38 0.02 -0.51 -0.92 0.00 0.00 175.35 174.32 2yrl s ASP 79 N -3.37 4.16 0.40 2.83 1.01 -1.17 -2.65 116.67 117.88 2yrl s ASP 79 Ca 0.29 -1.65 0.17 0.00 0.71 0.00 0.00 52.55 52.08 2yrl s ASP 79 Cb -0.07 0.55 1.07 0.00 1.01 0.00 0.00 42.92 45.48 2yrl s ASP 79 CO 0.17 -0.88 1.80 -0.08 0.21 0.00 0.00 175.17 176.39 2yrl h GLU 80 N 1.31 0.41 -0.98 8.23 4.81 -1.95 0.54 114.58 126.95 2yrl h GLU 80 Ca -0.44 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 2yrl h GLU 80 Cb 1.32 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 2yrl h GLU 80 CO 0.73 0.27 0.15 0.54 -0.73 0.00 0.00 179.01 179.97 2yrl n ARG 81 N -4.59 1.49 -2.29 1.92 1.74 -1.26 -4.82 116.66 108.85 2yrl n ARG 81 Ca 0.23 -0.84 -0.04 0.00 -0.77 0.00 0.00 57.85 56.43 2yrl n ARG 81 Cb 0.80 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 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 0.07 -1.83 -4.68 0.55 3.02 0.19 -4.83 115.26 107.75 2yrl n ASN 82 Ca 0.15 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.63 2yrl n ASN 82 Cb 0.76 -1.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 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 -4.83 4.27 -0.16 3.41 1.43 -1.25 -4.78 118.68 116.78 2yrl s LEU 83 Ca 0.00 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.79 2yrl s LEU 83 Cb 0.00 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2yrl s LEU 83 CO 0.00 -0.70 0.71 -1.10 0.23 0.00 0.00 176.35 175.49 2yrl s GLN 84 N 2.72 4.29 -0.23 1.70 -0.21 -1.26 -3.02 119.66 123.65 2yrl s GLN 84 Ca 0.60 0.81 -0.07 0.00 0.02 0.00 0.00 55.36 56.72 2yrl s GLN 84 Cb -0.27 -3.55 0.11 0.00 1.00 0.00 0.00 33.01 30.30 2yrl s GLN 84 CO 0.22 -0.21 0.47 -1.12 -2.12 0.00 0.00 175.29 172.53 2yrl s SER 85 N 1.10 -0.43 0.21 5.90 0.01 -0.97 -4.88 113.70 114.65 2yrl s SER 85 Ca 0.34 1.04 0.04 0.00 1.31 0.00 0.00 55.95 58.68 2yrl s SER 85 Cb -0.16 1.55 -0.05 0.00 0.21 0.00 0.00 66.02 67.56 2yrl s SER 85 CO 0.12 -0.24 -0.04 0.00 0.41 0.00 0.00 173.24 173.50 2yrl s GLN 86 N 2.67 1.28 -0.10 12.44 -2.07 -1.26 -0.83 119.66 131.80 2yrl s GLN 86 Ca -0.01 -1.62 -0.08 0.00 -1.82 0.00 0.00 55.36 51.83 2yrl s GLN 86 Cb -0.12 -0.67 0.03 0.00 -1.09 0.00 0.00 33.01 31.16 2yrl s GLN 86 CO -0.15 -0.04 0.25 0.45 -1.32 0.00 0.00 175.29 174.49 2yrl s SER 87 N -3.28 -0.26 -0.09 12.60 0.15 -0.42 -4.80 113.70 117.59 2yrl s SER 87 Ca 0.25 0.51 -0.07 0.00 0.70 0.00 0.00 55.95 57.34 2yrl s SER 87 Cb 0.05 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2yrl s SER 87 CO 0.07 -0.10 0.18 -0.44 1.20 0.00 0.00 173.24 174.14 2yrl s SER 88 N 0.38 6.44 -0.07 5.45 0.01 -1.26 -1.14 113.70 123.51 2yrl s SER 88 Ca -0.02 0.51 0.05 0.00 1.31 0.00 0.00 55.95 57.80 2yrl s SER 88 Cb -0.04 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2yrl s SER 88 CO -0.02 0.38 -0.23 0.54 0.41 0.00 0.00 173.24 174.33 2yrl s VAL 89 N -1.08 2.27 -0.36 3.43 0.11 -0.95 -4.88 120.40 118.94 2yrl s VAL 89 Ca 0.18 -0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 57.99 2yrl s VAL 89 Cb -0.13 -1.85 0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2yrl s VAL 89 CO 0.07 0.57 0.91 0.20 -3.33 0.00 0.00 175.10 173.51 2yrl s ASN 90 N -0.15 6.68 -0.39 3.54 0.01 -1.26 -3.30 114.94 120.06 2yrl s ASN 90 Ca -0.03 0.60 -0.06 0.00 -0.71 0.00 0.00 52.86 52.66 2yrl s ASN 90 Cb -0.14 -2.46 0.08 0.00 0.41 0.00 0.00 41.25 39.15 2yrl s ASN 90 CO 0.04 -0.82 0.19 -0.69 -1.51 0.00 0.00 177.10 174.31 2yrl s VAL 91 N 3.39 3.69 -0.05 1.60 1.01 -0.76 -1.65 120.40 127.62 2yrl s VAL 91 Ca 0.37 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.65 2yrl s VAL 91 Cb -0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2yrl s VAL 91 CO 0.18 -0.48 0.26 -0.63 0.00 0.00 0.00 175.10 174.43 2yrl s ILE 92 N 1.30 5.29 -0.17 2.22 1.01 0.39 -2.09 121.20 129.15 2yrl s ILE 92 Ca 0.03 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.13 2yrl s ILE 92 Cb -0.22 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2yrl s ILE 92 CO -0.01 0.56 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 2yrl s VAL 93 N -1.09 1.64 0.51 2.92 1.01 -1.12 -1.14 120.40 123.11 2yrl s VAL 93 Ca 0.20 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2yrl s VAL 93 Cb -0.14 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2yrl s VAL 93 CO 0.10 0.32 0.55 -0.54 0.00 0.00 0.00 175.10 175.53 2yrl s LYS 94 N 1.43 2.42 0.06 2.72 1.02 0.56 -3.60 119.74 124.34 2yrl s LYS 94 Ca 0.02 -1.67 -0.05 0.00 0.02 0.00 0.00 55.97 54.29 2yrl s LYS 94 Cb -0.14 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 2yrl s LYS 94 CO -0.10 -0.54 0.29 -1.21 -0.92 0.00 0.00 175.35 172.87 2yrl s GLU 95 N -4.38 3.57 0.02 1.68 2.02 -1.26 -1.18 118.70 119.17 2yrl s GLU 95 Ca 0.49 -0.13 -0.39 0.00 0.02 0.00 0.00 54.97 54.97 2yrl s GLU 95 Cb -0.05 -3.01 -0.18 0.00 0.10 0.00 0.00 34.13 30.99 2yrl s GLU 95 CO 0.30 0.59 1.24 -1.91 0.02 0.00 0.00 175.26 175.50 2yrl n GLU 96 N 0.70 0.59 -3.39 1.61 2.13 -1.20 -4.63 120.64 116.44 2yrl n GLU 96 Ca -0.08 0.21 -0.44 0.00 0.66 0.00 0.00 57.16 57.51 2yrl n GLU 96 Cb 0.52 -1.79 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 2yrl n GLU 96 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2yrl s SER 97 N 0.43 6.12 0.00 4.31 0.01 -1.26 -5.01 113.70 118.30 2yrl s SER 97 Ca 0.88 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2yrl s SER 97 Cb -1.12 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 62.94 2yrl s SER 97 CO 0.53 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2yrl n GLY 98 N 5.19 0.17 3.77 3.44 0.00 -1.26 -5.05 105.19 111.45 2yrl n GLY 98 Ca -0.12 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 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 0.83 2.83 0.13 1.61 0.04 -1.26 -5.06 135.00 134.12 2yrl s PRO 99 Ca 0.00 1.41 0.11 0.00 0.04 0.00 0.00 61.00 62.55 2yrl s PRO 99 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2yrl s PRO 99 CO 0.00 -1.23 -0.26 -1.54 0.04 0.00 0.00 177.00 174.01 2yrl s SER 100 N -2.53 3.24 0.01 6.66 1.04 -1.26 -5.07 113.70 115.79 2yrl s SER 100 Ca 0.67 -0.76 -0.33 0.00 0.48 0.00 0.00 55.95 56.01 2yrl s SER 100 Cb -0.21 -0.21 -0.17 0.00 0.10 0.00 0.00 66.02 65.53 2yrl s SER 100 CO 0.41 0.16 0.89 -1.54 0.98 0.00 0.00 173.24 174.13 2yrl n SER 101 N 0.86 -0.06 0.00 7.02 3.41 -1.26 -5.36 113.62 118.24 2yrl n SER 101 Ca -0.18 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2yrl n SER 101 Cb 0.53 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49