#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 1.01 -3.31 1.61 3.41 -1.26 -4.94 113.62 110.14 2yrl n SER 2 Ca 0.00 -0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 2yrl n SER 2 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2yrl n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yrl s SER 3 N -2.42 -0.03 0.00 4.04 1.04 -1.26 -5.13 113.70 109.95 2yrl s SER 3 Ca 0.27 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2yrl s SER 3 Cb 0.20 0.79 0.00 0.00 0.10 0.00 0.00 66.02 67.10 2yrl s SER 3 CO 0.48 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2yrl n GLY 4 N -0.50 1.67 3.53 7.32 0.00 -1.26 -4.98 105.19 110.97 2yrl n GLY 4 Ca -0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrl n SER 5 N 0.00 0.77 -4.79 1.61 2.88 -1.26 -4.88 113.62 107.95 2yrl n SER 5 Ca 0.00 -0.59 -0.35 0.00 -1.33 0.00 0.00 58.87 56.60 2yrl n SER 5 Cb 0.00 -1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 62.22 2yrl n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yrl s SER 6 N 8.18 6.79 0.00 -3.46 1.04 -1.26 -4.81 113.70 120.18 2yrl s SER 6 Ca 1.15 1.89 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2yrl s SER 6 Cb -0.60 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 62.95 2yrl s SER 6 CO 0.35 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2yrl n GLY 7 N -0.02 0.22 2.61 7.32 0.00 -1.26 -5.04 105.19 109.01 2yrl n GLY 7 Ca 0.06 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 0.53 3.24 -2.40 1.61 6.02 -1.26 -4.77 117.38 120.34 2yrl n GLN 8 Ca 0.00 -4.53 -0.13 0.00 -0.01 0.00 0.00 57.00 52.32 2yrl n GLN 8 Cb 0.00 -2.19 0.03 0.00 1.02 0.00 0.00 30.24 29.10 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yrl n ALA 9 N -0.39 3.93 -1.01 -1.58 0.00 -1.26 -4.60 120.51 115.61 2yrl n ALA 9 Ca 0.35 -3.34 -0.36 0.00 0.00 0.00 0.00 53.44 50.09 2yrl n ALA 9 Cb 0.60 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 2yrl n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yrl n ASP 10 N -0.64 0.35 0.10 0.00 8.00 -1.26 -4.39 116.55 118.71 2yrl n ASP 10 Ca 0.27 0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.88 2yrl n ASP 10 Cb 0.88 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 41.18 2yrl n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yrl h ALA 11 N 7.78 0.11 0.00 2.24 0.00 -1.89 -3.40 119.26 124.09 2yrl h ALA 11 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2yrl h ALA 11 Cb 0.98 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2yrl h ALA 11 CO 0.92 0.98 0.00 0.41 0.00 0.00 0.00 179.25 181.56 2yrl n GLY 12 N 1.60 3.90 3.77 0.00 0.00 -1.26 -4.41 105.19 108.79 2yrl n GLY 12 Ca -0.12 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.76 2.30 0.15 1.61 0.04 -1.26 -4.85 135.00 130.22 2yrl s PRO 13 Ca 0.00 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 2yrl s PRO 13 Cb 0.00 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 2yrl s PRO 13 CO 0.00 -1.61 0.54 -0.40 0.04 0.00 0.00 177.00 175.56 2yrl n ASP 14 N -3.42 -0.92 -4.46 6.66 5.68 -1.26 -4.87 116.55 113.96 2yrl n ASP 14 Ca 0.09 1.00 -0.35 0.00 -0.50 0.00 0.00 54.79 55.03 2yrl n ASP 14 Cb 0.53 -0.83 -0.12 0.00 -1.14 0.00 0.00 41.12 39.55 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 -0.74 3.64 -0.29 0.11 -0.14 -0.09 -5.02 119.74 117.21 2yrl s LYS 15 Ca 0.60 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.71 2yrl s LYS 15 Cb -0.87 -3.10 0.09 0.00 -1.68 0.00 0.00 37.83 32.27 2yrl s LYS 15 CO 0.50 0.01 0.05 -2.00 -0.76 0.00 0.00 175.35 173.15 2yrl s GLU 16 N 1.01 1.02 0.11 1.68 2.12 -1.26 -0.49 118.70 122.89 2yrl s GLU 16 Ca 0.02 -1.13 0.03 0.00 0.36 0.00 0.00 54.97 54.25 2yrl s GLU 16 Cb -0.14 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 2yrl s GLU 16 CO 0.02 -0.87 0.13 -0.51 -0.54 0.00 0.00 175.26 173.49 2yrl s LEU 17 N 1.47 3.91 -0.09 2.70 1.43 -0.48 -5.01 118.68 122.61 2yrl s LEU 17 Ca 0.06 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2yrl s LEU 17 Cb -0.18 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2yrl s LEU 17 CO -0.17 0.13 0.01 -0.89 0.23 0.00 0.00 176.35 175.67 2yrl s THR 18 N -1.55 0.33 0.91 5.49 2.01 -1.26 -0.82 115.64 120.74 2yrl s THR 18 Ca 0.31 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2yrl s THR 18 Cb -0.11 -0.56 -0.15 0.00 0.01 0.00 0.00 72.50 71.69 2yrl s THR 18 CO 0.24 0.18 -0.67 0.18 -0.69 0.00 0.00 174.62 173.85 2yrl n LEU 19 N 5.16 -5.56 0.00 4.42 7.99 -0.84 -2.60 117.00 125.56 2yrl n LEU 19 Ca -0.07 0.27 0.07 0.00 -0.01 0.00 0.00 56.01 56.27 2yrl n LEU 19 Cb 0.50 -0.78 0.34 0.00 -0.11 0.00 0.00 43.42 43.36 2yrl n LEU 19 CO 0.10 -5.80 0.71 -0.81 -1.51 0.00 0.00 177.39 170.09 2yrl n PRO 20 N 2.28 0.10 -1.52 3.23 -0.04 -1.26 -4.11 135.00 133.68 2yrl n PRO 20 Ca -0.00 0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2yrl n PRO 20 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.39 -0.01 -1.52 0.52 0.31 -1.07 -4.72 118.33 110.45 2yrl n VAL 21 Ca 0.05 -0.46 -0.31 0.00 -0.01 0.00 0.00 64.34 63.61 2yrl n VAL 21 Cb 0.14 -0.84 0.07 0.00 -0.91 0.00 0.00 33.84 32.30 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 10.74 6.63 -3.60 4.52 5.68 -1.26 -4.30 116.55 134.96 2yrl n ASP 22 Ca 0.59 -3.77 -0.16 0.00 -0.50 0.00 0.00 54.79 50.95 2yrl n ASP 22 Cb 0.24 -0.79 -0.07 0.00 -1.14 0.00 0.00 41.12 39.37 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 -2.33 -0.63 0.22 -1.12 1.04 -1.26 -2.76 113.70 106.86 2yrl s SER 23 Ca 0.60 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.89 2yrl s SER 23 Cb 0.48 0.86 -0.03 0.00 0.10 0.00 0.00 66.02 67.43 2yrl s SER 23 CO 0.01 -0.44 0.27 0.28 0.98 0.00 0.00 173.24 174.34 2yrl s THR 24 N -0.56 0.00 -0.07 2.02 -1.32 -1.08 -5.01 115.64 109.61 2yrl s THR 24 Ca -0.07 -1.76 0.02 0.00 -1.21 0.00 0.00 61.69 58.67 2yrl s THR 24 Cb -0.02 -2.39 0.01 0.00 -1.51 0.00 0.00 72.50 68.59 2yrl s THR 24 CO 0.06 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 172.75 2yrl s THR 25 N -4.09 1.26 -0.59 5.08 -4.23 -1.26 -2.22 115.64 109.58 2yrl s THR 25 Ca 0.32 -0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2yrl s THR 25 Cb 0.04 -1.14 0.15 0.00 1.34 0.00 0.00 72.50 72.89 2yrl s THR 25 CO 0.11 0.38 0.37 -0.76 -0.54 0.00 0.00 174.62 174.19 2yrl s LEU 26 N 0.69 4.87 -0.17 4.79 1.43 -0.09 -4.97 118.68 125.23 2yrl s LEU 26 Ca -0.14 -2.93 -0.10 0.00 -1.03 0.00 0.00 54.13 49.93 2yrl s LEU 26 Cb -0.16 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2yrl s LEU 26 CO 0.04 -0.31 0.16 1.51 0.23 0.00 0.00 176.35 177.97 2yrl s ASP 27 N 0.28 6.30 -0.36 2.29 -4.77 -1.26 -2.25 116.67 116.90 2yrl s ASP 27 Ca 0.17 0.34 0.07 0.00 -3.30 0.00 0.00 52.55 49.83 2yrl s ASP 27 Cb -0.22 -2.10 0.57 0.00 -1.09 0.00 0.00 42.92 40.08 2yrl s ASP 27 CO -0.02 0.24 1.65 0.61 0.70 0.00 0.00 175.17 178.34 2yrl n GLY 28 N 3.05 4.77 0.24 2.12 0.00 -0.12 -4.61 105.19 110.64 2yrl n GLY 28 Ca -0.17 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 1.01 0.13 -0.25 1.61 0.87 -1.85 -3.00 113.55 112.08 2yrl h SER 29 Ca 0.39 -0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.68 2yrl h SER 29 Cb 2.13 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 63.97 2yrl h SER 29 CO 0.68 0.25 -0.16 0.29 -0.53 0.00 0.00 176.83 177.35 2yrl n LYS 30 N -4.35 2.01 -1.57 2.24 4.01 -1.26 -4.93 118.16 114.31 2yrl n LYS 30 Ca -0.01 -1.24 -0.29 0.00 -0.51 0.00 0.00 58.31 56.25 2yrl n LYS 30 Cb 0.21 -1.95 0.15 0.00 -0.51 0.00 0.00 35.03 32.93 2yrl n LYS 30 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2yrl s SER 31 N 1.58 3.32 0.36 4.39 0.15 -1.13 -4.77 113.70 117.59 2yrl s SER 31 Ca 0.59 0.84 -0.14 0.00 0.70 0.00 0.00 55.95 57.93 2yrl s SER 31 Cb 0.31 -1.31 -0.12 0.00 -1.71 0.00 0.00 66.02 63.19 2yrl s SER 31 CO -0.05 -2.66 -0.04 -1.20 1.20 0.00 0.00 173.24 170.49 2yrl n SER 32 N -3.82 -2.59 -0.28 5.45 7.64 -1.26 -4.69 113.62 114.08 2yrl n SER 32 Ca 0.08 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.53 2yrl n SER 32 Cb 0.59 -0.65 0.09 0.00 -1.01 0.00 0.00 64.21 63.24 2yrl n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yrl n ASP 33 N 1.86 -0.31 -4.48 6.43 -0.08 -1.26 -4.45 116.55 114.25 2yrl n ASP 33 Ca 0.07 1.32 -0.40 0.00 -1.51 0.00 0.00 54.79 54.27 2yrl n ASP 33 Cb 0.34 -0.38 0.02 0.00 2.34 0.00 0.00 41.12 43.44 2yrl n ASP 33 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yrl n ASP 34 N -5.23 -0.68 -2.43 1.67 8.00 -1.26 -4.93 116.55 111.69 2yrl n ASP 34 Ca 0.11 0.83 -0.21 0.00 0.71 0.00 0.00 54.79 56.24 2yrl n ASP 34 Cb 0.37 -1.18 0.01 0.00 -0.02 0.00 0.00 41.12 40.30 2yrl n ASP 34 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2yrl n GLN 35 N 0.16 2.93 -0.74 -1.24 7.27 -1.26 -4.77 117.38 119.73 2yrl n GLN 35 Ca 0.11 -4.12 -0.02 0.00 0.07 0.00 0.00 57.00 53.04 2yrl n GLN 35 Cb 0.44 -2.03 0.21 0.00 2.41 0.00 0.00 30.24 31.28 2yrl n GLN 35 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2yrl n LYS 36 N -0.47 2.12 -2.91 3.69 4.76 -1.26 -5.00 118.16 119.09 2yrl n LYS 36 Ca 0.32 -3.09 -0.41 0.00 -2.87 0.00 0.00 58.31 52.27 2yrl n LYS 36 Cb 0.78 -1.84 -0.04 0.00 -1.84 0.00 0.00 35.03 32.08 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2yrl s ILE 37 N -3.15 4.95 -0.06 -0.18 1.09 -1.26 -2.45 121.20 120.15 2yrl s ILE 37 Ca 0.45 1.66 0.09 0.00 -1.10 0.00 0.00 60.65 61.75 2yrl s ILE 37 Cb 0.39 -4.14 0.15 0.00 -1.06 0.00 0.00 42.46 37.80 2yrl s ILE 37 CO 0.03 0.16 1.07 2.30 -0.10 0.00 0.00 174.94 178.40 2yrl n ILE 38 N 4.07 0.79 -3.75 2.92 -5.35 -0.84 -5.02 119.36 112.17 2yrl n ILE 38 Ca 0.02 -1.02 -0.13 0.00 -0.27 0.00 0.00 62.75 61.35 2yrl n ILE 38 Cb 0.51 0.22 -0.10 0.00 -1.74 0.00 0.00 39.64 38.53 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 -1.84 -0.29 -0.14 7.28 0.15 -1.24 -4.94 113.70 112.67 2yrl s SER 39 Ca 0.15 0.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 2yrl s SER 39 Cb 0.14 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2yrl s SER 39 CO 0.00 -0.27 0.34 -0.31 1.20 0.00 0.00 173.24 174.19 2yrl s TYR 40 N -0.50 -0.45 0.00 3.44 2.02 -1.26 -3.82 117.35 116.78 2yrl s TYR 40 Ca -0.06 1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 57.66 2yrl s TYR 40 Cb -0.04 0.16 -0.00 0.00 -0.40 0.00 0.00 41.96 41.68 2yrl s TYR 40 CO 0.02 -0.27 0.01 -1.17 -1.57 0.00 0.00 175.55 172.57 2yrl s LEU 41 N 1.05 2.02 -0.10 -1.29 2.96 -1.11 -3.81 118.68 118.39 2yrl s LEU 41 Ca -0.07 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2yrl s LEU 41 Cb -0.08 0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.73 2yrl s LEU 41 CO -0.08 -0.10 0.00 0.26 -1.32 0.00 0.00 176.35 175.11 2yrl s TRP 42 N -0.44 0.81 -0.04 5.38 0.52 -0.46 -2.79 118.94 121.92 2yrl s TRP 42 Ca -0.05 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.67 2yrl s TRP 42 Cb -0.03 -0.89 0.01 0.00 -1.15 0.00 0.00 33.47 31.41 2yrl s TRP 42 CO -0.00 -0.40 0.12 -1.21 0.02 0.00 0.00 176.95 175.48 2yrl s GLU 43 N 1.93 0.21 -0.43 4.98 0.41 -1.06 -4.80 118.70 119.94 2yrl s GLU 43 Ca 0.04 0.06 -0.28 0.00 -0.41 0.00 0.00 54.97 54.38 2yrl s GLU 43 Cb -0.13 0.09 0.02 0.00 -1.78 0.00 0.00 34.13 32.34 2yrl s GLU 43 CO -0.06 -0.03 1.06 0.21 -0.49 0.00 0.00 175.26 175.94 2yrl s LYS 44 N -0.22 3.77 0.11 1.61 2.20 -1.26 -0.54 119.74 125.41 2yrl s LYS 44 Ca -0.03 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.08 2yrl s LYS 44 Cb -0.02 -3.86 -0.14 0.00 -1.51 0.00 0.00 37.83 32.30 2yrl s LYS 44 CO 0.00 -1.20 1.28 1.79 -0.36 0.00 0.00 175.35 176.86 2yrl h THR 45 N 6.05 1.34 -4.24 3.43 1.35 0.60 -3.47 112.91 117.97 2yrl h THR 45 Ca -0.23 -2.29 -0.28 0.00 -0.55 0.00 0.00 66.41 63.06 2yrl h THR 45 Cb 1.07 2.32 -0.15 0.00 -1.73 0.00 0.00 68.15 69.66 2yrl h THR 45 CO 1.07 0.70 -0.62 -1.10 -0.25 0.00 0.00 175.52 175.32 2yrl s GLN 46 N -3.38 1.27 0.00 4.72 -0.21 -1.08 -4.99 119.66 116.00 2yrl s GLN 46 Ca -0.08 -1.68 0.00 0.00 0.02 0.00 0.00 55.36 53.63 2yrl s GLN 46 Cb 0.08 0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.14 2yrl s GLN 46 CO 0.89 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 2yrl n GLY 47 N -0.34 2.22 3.63 3.09 0.00 -1.26 -2.01 105.19 110.51 2yrl n GLY 47 Ca 0.01 -2.09 -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 -2.10 3.74 0.06 1.61 0.04 -1.25 -4.94 135.00 132.15 2yrl s PRO 48 Ca 0.00 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 2yrl s PRO 48 Cb 0.00 -4.05 -0.10 0.00 0.04 0.00 0.00 34.50 30.39 2yrl s PRO 48 CO 0.00 -1.36 1.91 -3.47 0.04 0.00 0.00 177.00 174.12 2yrl n ASP 49 N 8.66 4.04 0.00 6.66 2.03 -1.26 -4.18 116.55 132.49 2yrl n ASP 49 Ca 0.19 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2yrl n ASP 49 Cb 0.45 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 2yrl n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yrl n GLY 50 N 4.41 0.61 3.21 0.27 0.00 -1.26 -5.15 105.19 107.28 2yrl n GLY 50 Ca 0.20 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.44 1.61 0.24 -1.26 -4.99 118.33 109.49 2yrl n VAL 51 Ca 0.00 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 2yrl n VAL 51 Cb 0.00 -0.38 -0.17 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.95 2.36 -0.18 7.34 -0.21 -0.25 -4.94 119.66 120.82 2yrl s GLN 52 Ca 0.49 -0.61 -0.11 0.00 0.02 0.00 0.00 55.36 55.15 2yrl s GLN 52 Cb -0.11 -2.01 -0.05 0.00 1.00 0.00 0.00 33.01 31.84 2yrl s GLN 52 CO 0.70 -0.08 0.17 -0.51 -2.12 0.00 0.00 175.29 173.45 2yrl s LEU 53 N 1.02 4.23 -0.04 2.90 1.43 -1.26 -0.77 118.68 126.20 2yrl s LEU 53 Ca -0.05 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2yrl s LEU 53 Cb -0.15 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2yrl s LEU 53 CO -0.03 0.17 -0.20 -1.61 0.23 0.00 0.00 176.35 174.91 2yrl s GLU 54 N 0.30 2.34 -1.50 1.70 2.02 0.99 -4.63 118.70 119.92 2yrl s GLU 54 Ca 0.11 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 2yrl s GLU 54 Cb -0.12 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.90 2yrl s GLU 54 CO -0.00 0.58 0.61 0.09 0.02 0.00 0.00 175.26 176.56 2yrl n ASN 55 N 2.41 -6.01 0.27 -0.19 3.02 -1.26 -1.52 115.26 111.97 2yrl n ASN 55 Ca -0.17 -0.29 0.11 0.00 -0.03 0.00 0.00 54.58 54.21 2yrl n ASN 55 Cb 0.52 -4.82 0.74 0.00 -0.61 0.00 0.00 39.78 35.61 2yrl n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yrl h ALA 56 N 0.97 1.64 -0.19 5.41 0.00 -1.82 -0.58 119.26 124.69 2yrl h ALA 56 Ca -0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2yrl h ALA 56 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2yrl h ALA 56 CO 0.55 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.95 2yrl n ASN 57 N -4.08 2.37 -4.14 0.00 4.13 -1.26 -1.36 115.26 110.92 2yrl n ASN 57 Ca -0.03 -2.26 -0.19 0.00 1.68 0.00 0.00 54.58 53.78 2yrl n ASN 57 Cb 0.14 -0.51 -0.13 0.00 -1.54 0.00 0.00 39.78 37.74 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 -0.35 1.61 0.54 6.41 0.01 -0.22 -4.57 113.70 117.12 2yrl s SER 58 Ca 0.17 -0.47 0.47 0.00 1.31 0.00 0.00 55.95 57.43 2yrl s SER 58 Cb 0.13 -0.09 1.69 0.00 0.21 0.00 0.00 66.02 67.95 2yrl s SER 58 CO 0.06 0.01 1.59 0.77 0.41 0.00 0.00 173.24 176.08 2yrl h SER 59 N 4.86 0.04 -3.33 2.44 4.64 -1.85 -3.35 113.55 117.00 2yrl h SER 59 Ca -0.38 0.03 -0.65 0.00 -0.47 0.00 0.00 61.79 60.32 2yrl h SER 59 Cb 1.18 0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 63.05 2yrl h SER 59 CO 0.43 -0.04 -0.73 -0.69 -0.87 0.00 0.00 176.83 174.93 2yrl s VAL 60 N -4.94 3.36 0.22 0.95 1.01 -1.26 -0.95 120.40 118.79 2yrl s VAL 60 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2yrl s VAL 60 Cb 0.27 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2yrl s VAL 60 CO 0.88 0.52 -0.10 0.00 0.00 0.00 0.00 175.10 176.40 2yrl s ALA 61 N 0.31 1.98 -0.02 5.51 0.00 -0.95 -4.57 121.76 124.01 2yrl s ALA 61 Ca -0.08 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.18 2yrl s ALA 61 Cb -0.15 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2yrl s ALA 61 CO 0.05 -0.04 -0.01 0.99 0.00 0.00 0.00 175.76 176.75 2yrl s THR 62 N -3.10 0.20 -0.22 0.00 2.01 -0.58 -0.91 115.64 113.04 2yrl s THR 62 Ca 0.24 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 2yrl s THR 62 Cb 0.02 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 2yrl s THR 62 CO 0.07 0.13 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.38 2yrl s VAL 63 N 0.80 3.20 0.30 3.82 1.01 -0.94 -0.01 120.40 128.58 2yrl s VAL 63 Ca -0.08 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2yrl s VAL 63 Cb -0.11 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2yrl s VAL 63 CO -0.01 0.44 0.11 0.42 0.00 0.00 0.00 175.10 176.06 2yrl s THR 64 N 1.45 3.43 -0.30 3.92 -4.23 0.05 -2.64 115.64 117.32 2yrl s THR 64 Ca 0.06 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2yrl s THR 64 Cb -0.14 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.69 2yrl s THR 64 CO -0.05 -0.27 0.20 0.61 -0.54 0.00 0.00 174.62 174.57 2yrl n GLY 65 N -1.09 0.55 3.90 3.99 0.00 -1.11 -1.10 105.19 110.34 2yrl n GLY 65 Ca -0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.10 3.63 0.22 0.99 1.43 -1.14 -4.34 118.68 117.37 2yrl s LEU 66 Ca 0.10 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.96 2yrl s LEU 66 Cb -0.04 -3.93 0.04 0.00 0.03 0.00 0.00 46.19 42.28 2yrl s LEU 66 CO 0.12 -0.57 0.74 0.00 0.23 0.00 0.00 176.35 176.87 2yrl s GLN 67 N -4.65 1.54 -0.49 1.70 -2.07 -1.26 -4.77 119.66 109.65 2yrl s GLN 67 Ca 0.48 -0.79 -0.42 0.00 -1.82 0.00 0.00 55.36 52.81 2yrl s GLN 67 Cb -0.10 0.56 -0.18 0.00 -1.09 0.00 0.00 33.01 32.20 2yrl s GLN 67 CO 0.44 -0.70 2.17 0.28 -1.32 0.00 0.00 175.29 176.16 2yrl n VAL 68 N -0.43 0.03 -3.74 3.63 0.31 -1.26 -4.62 118.33 112.25 2yrl n VAL 68 Ca -0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2yrl n VAL 68 Cb 0.61 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 7.31 -1.01 3.48 2.92 0.00 -1.22 -4.99 105.19 111.68 2yrl n GLY 69 Ca 0.53 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.00 2.88 -0.17 2.61 2.01 -1.26 -2.88 115.64 115.83 2yrl s THR 70 Ca 0.00 -1.29 -0.05 0.00 0.31 0.00 0.00 61.69 60.66 2yrl s THR 70 Cb 0.00 -2.26 0.08 0.00 0.01 0.00 0.00 72.50 70.33 2yrl s THR 70 CO 0.00 0.24 0.29 -0.31 -0.69 0.00 0.00 174.62 174.15 2yrl s TYR 71 N -1.03 -0.51 -0.37 4.92 1.51 -0.97 -3.97 117.35 116.93 2yrl s TYR 71 Ca 0.16 0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 57.03 2yrl s TYR 71 Cb -0.11 -0.03 0.03 0.00 -0.11 0.00 0.00 41.96 41.74 2yrl s TYR 71 CO 0.08 -0.46 0.21 0.08 -1.11 0.00 0.00 175.55 174.34 2yrl s VAL 72 N 2.45 4.56 -0.32 0.71 1.01 -0.85 -1.80 120.40 126.17 2yrl s VAL 72 Ca 0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2yrl s VAL 72 Cb -0.13 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2yrl s VAL 72 CO -0.11 -0.24 0.13 -0.36 0.00 0.00 0.00 175.10 174.52 2yrl s PHE 73 N 1.55 3.18 -0.20 5.22 0.08 -1.20 0.12 117.98 126.74 2yrl s PHE 73 Ca 0.02 -0.89 -0.10 0.00 0.12 0.00 0.00 56.93 56.08 2yrl s PHE 73 Cb -0.19 -2.32 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 2yrl s PHE 73 CO 0.07 -0.56 0.13 0.99 -0.10 0.00 0.00 175.22 175.74 2yrl s THR 74 N 1.54 5.33 -0.03 0.64 2.01 0.29 -2.35 115.64 123.07 2yrl s THR 74 Ca 0.03 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2yrl s THR 74 Cb -0.18 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2yrl s THR 74 CO 0.04 0.43 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.08 2yrl s LEU 75 N 0.48 3.02 -0.09 4.42 0.20 0.09 -2.56 118.68 124.25 2yrl s LEU 75 Ca 0.07 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.76 2yrl s LEU 75 Cb -0.12 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.97 2yrl s LEU 75 CO -0.01 0.32 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.38 2yrl s THR 76 N -0.88 1.06 0.37 3.68 2.01 -1.12 -2.13 115.64 118.63 2yrl s THR 76 Ca 0.14 -0.38 0.09 0.00 0.31 0.00 0.00 61.69 61.85 2yrl s THR 76 Cb -0.11 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 2yrl s THR 76 CO 0.04 0.35 -0.03 0.68 -0.69 0.00 0.00 174.62 174.97 2yrl s VAL 77 N 1.13 2.25 -0.01 3.82 -7.23 -1.26 -2.76 120.40 116.34 2yrl s VAL 77 Ca -0.06 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 2yrl s VAL 77 Cb -0.14 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2yrl s VAL 77 CO -0.02 -0.13 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.05 2yrl s LYS 78 N -3.67 0.47 0.55 4.82 1.02 -1.25 -2.89 119.74 118.79 2yrl s LYS 78 Ca 0.34 -0.15 0.09 0.00 0.02 0.00 0.00 55.97 56.27 2yrl s LYS 78 Cb 0.04 -0.48 0.09 0.00 -0.52 0.00 0.00 37.83 36.97 2yrl s LYS 78 CO 0.18 0.07 0.76 -0.25 -0.92 0.00 0.00 175.35 175.18 2yrl n ASP 79 N 3.21 2.02 -0.24 2.83 9.92 -1.22 -1.99 116.55 131.07 2yrl n ASP 79 Ca -0.16 -2.47 0.19 0.00 -0.53 0.00 0.00 54.79 51.82 2yrl n ASP 79 Cb 0.56 -0.40 0.51 0.00 -0.64 0.00 0.00 41.12 41.15 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2yrl h GLU 80 N 0.00 0.40 -0.68 -1.24 4.81 -1.88 0.70 114.58 116.68 2yrl h GLU 80 Ca -0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2yrl h GLU 80 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2yrl h GLU 80 CO 0.37 0.26 0.00 0.54 -0.73 0.00 0.00 179.01 179.45 2yrl n ARG 81 N -4.51 1.72 -2.29 1.92 1.74 -1.26 -4.84 116.66 109.14 2yrl n ARG 81 Ca 0.19 -0.67 -0.16 0.00 -0.77 0.00 0.00 57.85 56.44 2yrl n ARG 81 Cb 0.69 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.09 -4.62 -4.67 0.55 3.02 0.24 -4.87 115.26 105.01 2yrl n ASN 82 Ca 0.06 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2yrl n ASN 82 Cb 0.36 -3.93 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 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 -5.55 4.36 -0.28 3.41 1.43 -1.25 -4.76 118.68 116.04 2yrl s LEU 83 Ca 0.00 2.40 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 2yrl s LEU 83 Cb 0.00 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 2yrl s LEU 83 CO 0.00 -0.95 0.67 -1.58 0.23 0.00 0.00 176.35 174.72 2yrl s GLN 84 N 3.85 4.02 0.41 1.70 0.74 -1.26 -3.44 119.66 125.67 2yrl s GLN 84 Ca 0.77 0.50 0.02 0.00 0.05 0.00 0.00 55.36 56.70 2yrl s GLN 84 Cb -0.37 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 30.07 2yrl s GLN 84 CO 0.33 -0.52 0.15 0.43 -0.55 0.00 0.00 175.29 175.13 2yrl n SER 85 N 5.88 2.73 -3.63 6.67 7.64 -1.14 -4.91 113.62 126.87 2yrl n SER 85 Ca 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 58.87 57.21 2yrl n SER 85 Cb 0.49 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 2yrl n SER 85 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2yrl s GLN 86 N -3.57 0.45 -0.28 1.43 0.74 -1.26 -4.34 119.66 112.83 2yrl s GLN 86 Ca 0.12 0.42 -0.17 0.00 0.05 0.00 0.00 55.36 55.78 2yrl s GLN 86 Cb -0.01 0.22 0.08 0.00 1.10 0.00 0.00 33.01 34.40 2yrl s GLN 86 CO 0.07 -0.08 0.71 -1.12 -0.55 0.00 0.00 175.29 174.32 2yrl s SER 87 N -0.11 -0.91 0.15 6.67 0.01 -0.90 -4.57 113.70 114.04 2yrl s SER 87 Ca 0.03 1.48 0.06 0.00 1.31 0.00 0.00 55.95 58.83 2yrl s SER 87 Cb -0.04 1.39 -0.04 0.00 0.21 0.00 0.00 66.02 67.54 2yrl s SER 87 CO -0.06 -0.24 0.03 -0.94 0.41 0.00 0.00 173.24 172.45 2yrl s SER 88 N 1.51 5.00 0.11 2.44 1.04 -1.26 -0.73 113.70 121.81 2yrl s SER 88 Ca -0.09 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.12 2yrl s SER 88 Cb -0.05 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 2yrl s SER 88 CO -0.18 0.10 -0.16 0.54 0.98 0.00 0.00 173.24 174.53 2yrl s VAL 89 N -1.65 1.41 -0.39 5.02 0.11 -0.99 -4.90 120.40 119.00 2yrl s VAL 89 Ca 0.28 -1.63 -0.13 0.00 -2.93 0.00 0.00 61.98 57.57 2yrl s VAL 89 Cb -0.10 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2yrl s VAL 89 CO 0.20 -0.31 0.25 0.20 -3.33 0.00 0.00 175.10 172.11 2yrl s ASN 90 N -2.25 5.91 -0.42 3.54 -0.87 -1.26 -3.21 114.94 116.38 2yrl s ASN 90 Ca 0.07 -0.95 -0.10 0.00 -1.57 0.00 0.00 52.86 50.31 2yrl s ASN 90 Cb -0.07 -2.09 0.08 0.00 -0.02 0.00 0.00 41.25 39.15 2yrl s ASN 90 CO 0.03 -0.42 0.27 -0.69 -2.57 0.00 0.00 177.10 173.72 2yrl s VAL 91 N 1.61 4.29 -0.13 1.60 1.01 -0.74 -0.92 120.40 127.12 2yrl s VAL 91 Ca 0.03 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.57 2yrl s VAL 91 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2yrl s VAL 91 CO 0.08 -0.51 0.12 -0.63 0.00 0.00 0.00 175.10 174.16 2yrl s ILE 92 N 1.44 5.29 -0.25 2.22 1.01 0.36 -2.29 121.20 128.97 2yrl s ILE 92 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2yrl s ILE 92 Cb -0.23 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 38.98 2yrl s ILE 92 CO 0.02 0.59 -0.10 -0.69 0.00 0.00 0.00 174.94 174.77 2yrl s VAL 93 N -0.81 2.41 0.25 2.92 1.01 -1.14 -1.38 120.40 123.66 2yrl s VAL 93 Ca 0.14 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.79 2yrl s VAL 93 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2yrl s VAL 93 CO 0.03 0.08 0.21 -0.54 0.00 0.00 0.00 175.10 174.88 2yrl s LYS 94 N 1.19 2.96 0.39 2.72 1.02 0.00 -3.46 119.74 124.56 2yrl s LYS 94 Ca -0.05 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.79 2yrl s LYS 94 Cb -0.18 -2.59 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 2yrl s LYS 94 CO -0.05 0.41 0.79 -1.21 -0.92 0.00 0.00 175.35 174.36 2yrl s GLU 95 N -3.82 3.88 -0.32 1.68 2.02 -1.26 -1.99 118.70 118.89 2yrl s GLU 95 Ca 0.33 0.60 -0.34 0.00 0.02 0.00 0.00 54.97 55.58 2yrl s GLU 95 Cb -0.08 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.67 2yrl s GLU 95 CO 0.25 -0.00 2.17 -1.91 0.02 0.00 0.00 175.26 175.79 2yrl n GLU 96 N -1.02 1.23 -1.58 1.61 2.13 -1.26 -4.74 120.64 117.02 2yrl n GLU 96 Ca 0.03 0.34 -0.43 0.00 0.66 0.00 0.00 57.16 57.77 2yrl n GLU 96 Cb 0.54 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.65 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yrl n SER 97 N 9.88 3.01 -4.80 4.31 2.88 -1.26 -4.94 113.62 122.70 2yrl n SER 97 Ca 0.39 0.11 -0.36 0.00 -1.33 0.00 0.00 58.87 57.68 2yrl n SER 97 Cb 0.26 -1.53 -0.07 0.00 -0.75 0.00 0.00 64.21 62.12 2yrl n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yrl s GLY 98 N 8.85 2.66 0.27 0.46 0.00 -1.26 -4.95 107.32 113.35 2yrl s GLY 98 Ca 1.02 0.45 0.24 0.00 0.00 0.00 0.00 44.72 46.42 2yrl s GLY 98 CO 0.35 0.83 1.72 -1.55 0.00 0.00 0.00 173.10 174.45 2yrl n PRO 99 N 0.21 0.20 -4.35 2.90 -0.04 -1.26 -4.78 135.00 127.88 2yrl n PRO 99 Ca 0.03 0.43 -0.18 0.00 -0.04 0.00 0.00 63.50 63.74 2yrl n PRO 99 Cb 0.51 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 2yrl n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrl s SER 100 N -4.29 1.95 -0.05 3.54 0.15 -1.26 -5.16 113.70 108.59 2yrl s SER 100 Ca 0.04 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.48 2yrl s SER 100 Cb 0.09 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2yrl s SER 100 CO 0.39 -0.52 -0.13 -0.55 1.20 0.00 0.00 173.24 173.64 2yrl s SER 101 N -3.34 1.77 0.00 5.45 0.15 -1.26 -5.16 113.70 111.30 2yrl s SER 101 Ca 0.30 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2yrl s SER 101 Cb 0.06 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2yrl s SER 101 CO 0.10 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.22