#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku n SER 2 N 0.00 -2.82 -0.04 1.61 7.64 -1.26 -4.88 113.62 113.88 2dku n SER 2 Ca 0.00 -0.94 -0.21 0.00 1.01 0.00 0.00 58.87 58.73 2dku n SER 2 Cb 0.00 -3.22 -0.13 0.00 -1.01 0.00 0.00 64.21 59.85 2dku n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dku h SER 3 N -1.77 0.20 -0.56 6.43 0.87 -2.05 -3.42 113.55 113.25 2dku h SER 3 Ca -0.60 -0.75 -0.30 0.00 -1.23 0.00 0.00 61.79 58.91 2dku h SER 3 Cb 1.38 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 2dku h SER 3 CO 0.70 1.55 0.89 -0.83 -0.53 0.00 0.00 176.83 178.61 2dku s GLY 4 N -4.94 0.12 -0.01 5.77 0.00 -1.26 -4.82 107.32 102.17 2dku s GLY 4 Ca -0.24 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.34 2dku s GLY 4 CO 0.69 3.56 0.89 -1.35 0.00 0.00 0.00 173.10 176.90 2dku s SER 5 N 7.25 -0.37 -0.10 1.64 1.04 -1.26 -5.07 113.70 116.83 2dku s SER 5 Ca 0.70 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.88 2dku s SER 5 Cb -0.03 0.38 -0.23 0.00 0.10 0.00 0.00 66.02 66.23 2dku s SER 5 CO 0.08 -0.61 0.90 0.28 0.98 0.00 0.00 173.24 174.87 2dku h SER 6 N 2.04 -0.01 0.00 7.02 0.02 -1.97 -3.49 113.55 117.16 2dku h SER 6 Ca -0.22 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2dku h SER 6 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dku h SER 6 CO 0.31 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.43 2dku n GLY 7 N 1.18 1.64 3.67 -3.77 0.00 -1.26 -5.13 105.19 101.52 2dku n GLY 7 Ca -0.09 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2dku n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dku n ALA 8 N 0.00 0.71 -1.78 4.61 0.00 -1.26 -4.98 120.51 117.82 2dku n ALA 8 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 2dku n ALA 8 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 2dku n ALA 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2dku s ASN 9 N -1.26 6.24 -0.10 0.00 -0.87 -1.26 -5.00 114.94 112.69 2dku s ASN 9 Ca 0.78 1.61 -0.25 0.00 -1.57 0.00 0.00 52.86 53.43 2dku s ASN 9 Cb -0.40 -2.51 0.06 0.00 -0.02 0.00 0.00 41.25 38.38 2dku s ASN 9 CO 0.45 -0.86 0.58 0.00 -2.57 0.00 0.00 177.10 174.70 2dku s PHE 11 N -0.73 3.03 0.22 0.00 0.40 -1.26 -0.33 117.98 119.30 2dku s PHE 11 Ca -0.08 0.73 0.02 0.00 -0.60 0.00 0.00 56.93 57.00 2dku s PHE 11 Cb -0.02 -3.79 0.19 0.00 0.51 0.00 0.00 43.02 39.90 2dku s PHE 11 CO 0.06 -0.92 1.52 1.79 0.70 0.00 0.00 175.22 178.37 2dku h THR 12 N 5.90 1.38 -3.03 0.64 1.35 -1.83 -3.40 112.91 113.92 2dku h THR 12 Ca -0.23 -2.02 -0.57 0.00 -0.55 0.00 0.00 66.41 63.04 2dku h THR 12 Cb 1.07 2.01 -0.40 0.00 -1.73 0.00 0.00 68.15 69.11 2dku h THR 12 CO 1.01 0.60 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.50 2dku s GLU 13 N -3.74 0.63 1.00 4.72 2.02 -1.25 -5.02 118.70 117.07 2dku s GLU 13 Ca -0.05 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 2dku s GLU 13 Cb 0.11 -1.80 0.14 0.00 0.10 0.00 0.00 34.13 32.69 2dku s GLU 13 CO 0.81 -1.02 0.77 0.39 0.02 0.00 0.00 175.26 176.23 2dku n GLU 14 N 4.79 -0.91 -0.70 1.61 -0.58 -1.26 -2.30 120.64 121.29 2dku n GLU 14 Ca -0.01 -0.22 -0.30 0.00 -0.42 0.00 0.00 57.16 56.21 2dku n GLU 14 Cb 0.41 -2.11 0.27 0.00 -0.57 0.00 0.00 31.44 29.44 2dku n GLU 14 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dku s LEU 15 N -4.47 -0.21 -0.01 -4.62 1.43 -1.26 -4.82 118.68 104.72 2dku s LEU 15 Ca 0.63 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2dku s LEU 15 Cb -0.22 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2dku s LEU 15 CO 0.63 -4.77 0.01 0.28 0.23 0.00 0.00 176.35 172.73 2dku s THR 16 N -2.61 0.01 -0.08 5.49 -1.32 -1.26 -4.94 115.64 110.92 2dku s THR 16 Ca 0.70 0.05 -0.36 0.00 -1.21 0.00 0.00 61.69 60.86 2dku s THR 16 Cb -0.12 -0.05 -0.14 0.00 -1.51 0.00 0.00 72.50 70.68 2dku s THR 16 CO 0.57 0.03 1.71 0.59 -2.21 0.00 0.00 174.62 175.31 2dku n ASN 17 N 3.41 2.77 -4.86 8.08 3.02 -1.26 -4.75 115.26 121.66 2dku n ASN 17 Ca -0.17 1.05 -0.37 0.00 -0.03 0.00 0.00 54.58 55.06 2dku n ASN 17 Cb 0.57 -1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dku s LEU 18 N 2.84 4.41 -0.21 3.41 1.43 -0.50 -4.98 118.68 125.07 2dku s LEU 18 Ca 0.91 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 2dku s LEU 18 Cb -0.85 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 43.21 2dku s LEU 18 CO 0.53 0.38 0.02 -1.10 0.23 0.00 0.00 176.35 176.41 2dku s GLN 19 N -0.98 0.91 -0.06 1.70 -0.21 -1.26 0.57 119.66 120.33 2dku s GLN 19 Ca 0.17 -0.63 -0.13 0.00 0.02 0.00 0.00 55.36 54.79 2dku s GLN 19 Cb -0.13 -2.23 0.03 0.00 1.00 0.00 0.00 33.01 31.67 2dku s GLN 19 CO 0.06 -0.66 0.31 0.08 -2.12 0.00 0.00 175.29 172.97 2dku s VAL 20 N 1.72 0.03 0.60 1.09 1.01 -0.20 -4.98 120.40 119.68 2dku s VAL 20 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 2dku s VAL 20 Cb -0.18 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2dku s VAL 20 CO -0.09 -0.15 1.20 -1.61 0.00 0.00 0.00 175.10 174.45 2dku s GLU 21 N -0.69 2.94 0.89 2.72 2.02 -1.26 -2.07 118.70 123.24 2dku s GLU 21 Ca -0.08 1.80 -0.13 0.00 0.02 0.00 0.00 54.97 56.58 2dku s GLU 21 Cb -0.04 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.29 2dku s GLU 21 CO 0.03 -1.22 0.55 -0.85 0.02 0.00 0.00 175.26 173.79 2dku n GLU 22 N -1.66 -0.14 -2.39 1.61 0.28 0.95 -2.89 120.64 116.39 2dku n GLU 22 Ca 0.13 0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.98 2dku n GLU 22 Cb 0.50 -1.94 -0.00 0.00 1.43 0.00 0.00 31.44 31.43 2dku n GLU 22 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dku n LYS 23 N -1.82 -1.70 0.00 3.44 4.76 -1.00 -4.76 118.16 117.08 2dku n LYS 23 Ca 0.08 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 2dku n LYS 23 Cb 0.52 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.49 2dku n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dku n GLY 24 N -1.07 1.71 3.64 0.72 0.00 -1.14 -4.78 105.19 104.26 2dku n GLY 24 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 2dku n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dku s THR 25 N 3.56 -0.12 -0.17 2.61 2.01 -1.26 -3.00 115.64 119.27 2dku s THR 25 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 2dku s THR 25 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2dku s THR 25 CO 0.00 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 173.86 2dku s ALA 26 N 1.77 1.62 -0.34 7.40 0.00 -0.05 -4.95 121.76 127.20 2dku s ALA 26 Ca -0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2dku s ALA 26 Cb -0.06 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.96 2dku s ALA 26 CO -0.19 -0.77 0.10 0.54 0.00 0.00 0.00 175.76 175.44 2dku s VAL 27 N 1.57 3.59 -0.74 0.00 0.11 -1.26 -1.02 120.40 122.66 2dku s VAL 27 Ca 0.01 -1.28 -0.26 0.00 -2.93 0.00 0.00 61.98 57.51 2dku s VAL 27 Cb -0.15 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2dku s VAL 27 CO -0.08 -0.23 1.71 -0.36 -3.33 0.00 0.00 175.10 172.82 2dku s PHE 28 N 1.35 1.91 0.00 1.54 0.08 -1.02 -4.79 117.98 117.05 2dku s PHE 28 Ca -0.01 0.41 -0.25 0.00 0.12 0.00 0.00 56.93 57.20 2dku s PHE 28 Cb -0.20 -4.26 -0.05 0.00 -0.57 0.00 0.00 43.02 37.94 2dku s PHE 28 CO 0.01 -2.10 0.75 0.95 -0.10 0.00 0.00 175.22 174.73 2dku s THR 29 N 8.16 4.86 0.25 0.64 -4.23 -1.26 -2.74 115.64 121.31 2dku s THR 29 Ca 0.59 1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 62.62 2dku s THR 29 Cb -0.09 -4.09 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 2dku s THR 29 CO 0.12 0.31 0.33 0.00 -0.54 0.00 0.00 174.62 174.84 2dku s LYS 31 N -3.87 0.82 0.02 0.00 2.20 -0.97 -1.52 119.74 116.41 2dku s LYS 31 Ca 0.31 -1.31 -0.05 0.00 -0.36 0.00 0.00 55.97 54.57 2dku s LYS 31 Cb 0.03 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 2dku s LYS 31 CO 0.13 -0.02 0.09 0.95 -0.36 0.00 0.00 175.35 176.14 2dku s THR 32 N -3.53 0.10 0.19 3.43 -4.23 -1.08 -3.24 115.64 107.28 2dku s THR 32 Ca 0.11 -0.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2dku s THR 32 Cb 0.05 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.39 2dku s THR 32 CO -0.05 -0.47 1.60 -0.08 -0.54 0.00 0.00 174.62 175.08 2dku h GLU 33 N 4.18 0.95 -6.09 3.99 4.57 -1.01 -3.44 114.58 117.73 2dku h GLU 33 Ca -0.32 -0.37 -0.58 0.00 -1.18 0.00 0.00 59.36 56.92 2dku h GLU 33 Cb 1.19 -0.05 -0.26 0.00 -0.16 0.00 0.00 28.75 29.48 2dku h GLU 33 CO 0.43 1.03 -0.84 -1.01 -1.18 0.00 0.00 179.01 177.44 2dku s HIS 34 N -4.75 1.82 -0.64 0.92 3.76 -1.26 -5.02 115.29 110.12 2dku s HIS 34 Ca -0.11 -0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.16 2dku s HIS 34 Cb 0.13 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 2dku s HIS 34 CO 0.86 0.09 1.87 -1.25 -0.85 0.00 0.00 174.74 175.46 2dku s PRO 35 N -1.19 2.61 0.73 8.40 0.04 -1.26 -4.95 135.00 139.38 2dku s PRO 35 Ca 0.07 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.50 2dku s PRO 35 Cb -0.09 -4.44 0.04 0.00 0.04 0.00 0.00 34.50 30.04 2dku s PRO 35 CO 0.02 -2.79 1.22 0.00 0.04 0.00 0.00 177.00 175.49 2dku n ALA 36 N 12.88 0.46 0.49 8.56 0.00 -1.26 -4.92 120.51 136.71 2dku n ALA 36 Ca 0.22 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2dku n ALA 36 Cb 0.52 -2.27 0.20 0.00 0.00 0.00 0.00 19.45 17.90 2dku n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dku h ALA 37 N -0.23 0.72 -2.33 0.00 0.00 -1.93 -3.47 119.26 112.01 2dku h ALA 37 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2dku h ALA 37 Cb 1.32 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 2dku h ALA 37 CO 0.49 0.00 0.25 -0.08 0.00 0.00 0.00 179.25 179.91 2dku s THR 38 N -3.18 0.00 -0.05 0.00 -1.32 -1.26 -5.16 115.64 104.66 2dku s THR 38 Ca 0.06 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 2dku s THR 38 Cb 0.12 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2dku s THR 38 CO 0.69 0.00 0.02 -0.69 -2.21 0.00 0.00 174.62 172.43 2dku s VAL 39 N -2.22 0.18 -0.50 5.08 1.01 -1.26 -4.54 120.40 118.14 2dku s VAL 39 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2dku s VAL 39 Cb -0.00 -0.35 0.13 0.00 0.00 0.00 0.00 36.38 36.16 2dku s VAL 39 CO -0.00 0.20 0.28 -0.89 0.00 0.00 0.00 175.10 174.69 2dku s THR 40 N 1.74 3.09 0.80 3.92 2.01 -0.47 -4.98 115.64 121.74 2dku s THR 40 Ca 0.00 -2.76 -0.11 0.00 0.31 0.00 0.00 61.69 59.14 2dku s THR 40 Cb -0.13 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.36 2dku s THR 40 CO -0.03 -0.77 1.10 0.26 -0.69 0.00 0.00 174.62 174.48 2dku s TRP 41 N 0.30 2.44 -0.02 4.92 0.52 -1.26 -3.16 118.94 122.68 2dku s TRP 41 Ca 0.14 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.81 2dku s TRP 41 Cb -0.22 -3.09 0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2dku s TRP 41 CO -0.03 -1.98 0.04 0.50 0.02 0.00 0.00 176.95 175.50 2dku s ARG 42 N -4.88 0.00 -0.66 4.98 3.52 0.24 -0.56 118.95 121.60 2dku s ARG 42 Ca 0.62 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 56.25 2dku s ARG 42 Cb -0.18 -0.13 0.17 0.00 -1.56 0.00 0.00 34.95 33.25 2dku s ARG 42 CO 0.56 -0.10 0.57 0.21 -0.81 0.00 0.00 175.30 175.73 2dku s LYS 43 N 0.66 3.07 1.39 5.12 2.20 0.20 -0.51 119.74 131.86 2dku s LYS 43 Ca -0.05 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.36 2dku s LYS 43 Cb -0.08 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2dku s LYS 43 CO -0.02 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2dku n GLY 44 N 4.31 0.97 1.13 5.54 0.00 -0.13 -1.97 105.19 115.04 2dku n GLY 44 Ca 0.03 0.47 0.03 0.00 0.00 0.00 0.00 46.02 46.55 2dku n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 45 N 0.00 2.06 -3.95 0.99 4.77 -1.26 -4.98 117.00 114.63 2dku n LEU 45 Ca 0.00 -3.12 -0.09 0.00 -0.03 0.00 0.00 56.01 52.77 2dku n LEU 45 Cb 0.00 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 2dku n LEU 45 CO 0.00 1.05 -0.28 -0.22 -1.33 0.00 0.00 177.39 176.60 2dku s LEU 46 N -1.93 2.00 -0.06 2.23 0.20 -0.83 -5.15 118.68 115.14 2dku s LEU 46 Ca 0.37 -0.47 -0.15 0.00 0.69 0.00 0.00 54.13 54.56 2dku s LEU 46 Cb 0.38 0.35 -0.05 0.00 -0.43 0.00 0.00 46.19 46.44 2dku s LEU 46 CO -0.11 -0.38 0.41 -0.70 -0.29 0.00 0.00 176.35 175.28 2dku s GLU 47 N -1.84 4.08 0.29 1.98 2.12 -1.26 0.60 118.70 124.66 2dku s GLU 47 Ca -0.12 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.63 2dku s GLU 47 Cb -0.06 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 2dku s GLU 47 CO -0.02 0.48 0.43 -0.51 -0.54 0.00 0.00 175.26 175.11 2dku s LEU 48 N -0.39 4.15 -0.06 2.70 1.43 0.28 -4.86 118.68 121.93 2dku s LEU 48 Ca 0.23 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 2dku s LEU 48 Cb -0.16 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.17 2dku s LEU 48 CO 0.11 -0.23 0.30 0.00 0.23 0.00 0.00 176.35 176.77 2dku s ARG 49 N -4.11 0.53 -0.73 1.70 1.70 -1.26 -4.35 118.95 112.42 2dku s ARG 49 Ca 0.38 0.07 -0.33 0.00 -0.47 0.00 0.00 55.73 55.39 2dku s ARG 49 Cb -0.09 0.24 -0.17 0.00 -0.57 0.00 0.00 34.95 34.36 2dku s ARG 49 CO 0.31 -0.12 2.49 0.00 -1.08 0.00 0.00 175.30 176.90 2dku n ALA 50 N 1.99 0.49 -2.92 7.88 0.00 -1.24 -4.51 120.51 122.20 2dku n ALA 50 Ca -0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 2dku n ALA 50 Cb 0.57 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 2dku n ALA 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dku s SER 51 N 8.97 -0.12 0.33 0.00 0.01 0.62 -4.98 113.70 118.53 2dku s SER 51 Ca 1.22 -0.51 0.24 0.00 1.31 0.00 0.00 55.95 58.22 2dku s SER 51 Cb -1.02 0.46 1.12 0.00 0.21 0.00 0.00 66.02 66.79 2dku s SER 51 CO 0.47 -0.87 1.17 0.61 0.41 0.00 0.00 173.24 175.02 2dku n GLY 52 N -0.21 -0.63 0.01 3.44 0.00 -1.26 -1.17 105.19 105.36 2dku n GLY 52 Ca -0.13 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 2dku n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dku h LYS 53 N 0.00 -0.01 -4.41 1.61 1.63 -1.91 -3.43 116.57 110.05 2dku h LYS 53 Ca 0.66 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 59.73 2dku h LYS 53 Cb 2.13 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 33.55 2dku h LYS 53 CO -0.35 -0.01 -0.14 -1.01 -3.45 0.00 0.00 179.45 174.50 2dku s HIS 54 N -1.31 3.16 -0.66 1.91 3.76 -0.32 -3.71 115.29 118.13 2dku s HIS 54 Ca -0.00 -1.01 -0.02 0.00 -0.15 0.00 0.00 55.06 53.89 2dku s HIS 54 Cb 0.00 -3.63 0.17 0.00 1.11 0.00 0.00 32.58 30.23 2dku s HIS 54 CO 0.00 -1.02 0.47 -1.14 -0.85 0.00 0.00 174.74 172.21 2dku s GLN 55 N 2.00 2.60 1.17 1.40 2.00 -1.11 -0.28 119.66 127.45 2dku s GLN 55 Ca 0.07 -2.69 -0.18 0.00 -2.00 0.00 0.00 55.36 50.56 2dku s GLN 55 Cb -0.26 -3.71 0.27 0.00 0.80 0.00 0.00 33.01 30.12 2dku s GLN 55 CO 0.06 -1.19 1.11 -1.25 -0.50 0.00 0.00 175.29 173.52 2dku s PRO 56 N -0.34 -0.99 0.01 1.67 0.04 -1.26 -3.23 135.00 130.89 2dku s PRO 56 Ca 0.19 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.95 2dku s PRO 56 Cb -0.18 -1.62 0.11 0.00 0.04 0.00 0.00 34.50 32.85 2dku s PRO 56 CO -0.05 -3.58 1.24 -1.12 0.04 0.00 0.00 177.00 173.53 2dku s SER 57 N -3.82 -0.06 0.01 6.66 0.01 -0.74 -4.94 113.70 110.82 2dku s SER 57 Ca 0.70 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2dku s SER 57 Cb -0.11 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 2dku s SER 57 CO 0.56 -0.40 -0.02 -1.58 0.41 0.00 0.00 173.24 172.21 2dku s GLN 58 N -2.48 0.16 -0.27 12.44 0.74 -1.26 -2.78 119.66 126.21 2dku s GLN 58 Ca 0.16 -0.25 -0.10 0.00 0.05 0.00 0.00 55.36 55.21 2dku s GLN 58 Cb 0.03 -0.01 0.11 0.00 1.10 0.00 0.00 33.01 34.24 2dku s GLN 58 CO -0.02 -0.01 0.60 -1.21 -0.55 0.00 0.00 175.29 174.10 2dku s GLU 59 N -0.57 0.54 -0.86 1.67 2.02 0.21 -4.93 118.70 116.78 2dku s GLU 59 Ca -0.06 1.30 -0.17 0.00 0.02 0.00 0.00 54.97 56.06 2dku s GLU 59 Cb -0.04 0.60 0.02 0.00 0.10 0.00 0.00 34.13 34.81 2dku s GLU 59 CO -0.00 -0.20 0.52 0.41 0.02 0.00 0.00 175.26 176.01 2dku n GLY 60 N 5.18 -0.83 2.41 -1.39 0.00 -1.26 0.22 105.19 109.52 2dku n GLY 60 Ca -0.13 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 2dku n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 61 N -3.48 -1.64 -3.99 0.99 4.77 -1.26 -4.96 117.00 107.43 2dku n LEU 61 Ca -0.16 0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 2dku n LEU 61 Cb 0.50 -2.67 -0.16 0.00 -2.33 0.00 0.00 43.42 38.75 2dku n LEU 61 CO 0.57 -0.29 -0.47 -0.89 -1.33 0.00 0.00 177.39 174.99 2dku s THR 62 N -2.86 1.51 0.01 -5.08 2.01 0.59 -2.63 115.64 109.19 2dku s THR 62 Ca 0.00 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2dku s THR 62 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2dku s THR 62 CO 0.00 0.31 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.44 2dku s LEU 63 N 1.48 3.35 -0.13 4.42 1.43 -0.58 0.63 118.68 129.29 2dku s LEU 63 Ca 0.02 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 2dku s LEU 63 Cb -0.14 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.19 2dku s LEU 63 CO -0.09 0.27 0.56 0.00 0.23 0.00 0.00 176.35 177.32 2dku s ARG 64 N -1.57 0.80 -0.29 1.70 1.70 -1.12 -0.07 118.95 120.09 2dku s ARG 64 Ca 0.19 0.46 0.02 0.00 -0.47 0.00 0.00 55.73 55.93 2dku s ARG 64 Cb -0.11 0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.73 2dku s ARG 64 CO 0.10 -0.18 0.00 -1.17 -1.08 0.00 0.00 175.30 172.97 2dku s LEU 65 N -0.45 3.60 -0.16 -1.89 2.96 -1.11 -1.78 118.68 119.85 2dku s LEU 65 Ca -0.06 -1.70 -0.29 0.00 -0.22 0.00 0.00 54.13 51.86 2dku s LEU 65 Cb -0.03 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 2dku s LEU 65 CO 0.04 -0.31 1.26 -0.89 -1.32 0.00 0.00 176.35 175.13 2dku s THR 66 N 1.17 4.28 -0.30 3.68 2.01 -1.20 -2.44 115.64 122.83 2dku s THR 66 Ca 0.03 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.59 2dku s THR 66 Cb -0.19 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.39 2dku s THR 66 CO -0.10 -0.13 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.06 2dku s ILE 67 N 3.42 2.57 0.34 1.82 1.01 -0.18 -2.76 121.20 127.42 2dku s ILE 67 Ca 0.55 -1.73 0.05 0.00 0.00 0.00 0.00 60.65 59.52 2dku s ILE 67 Cb -0.22 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2dku s ILE 67 CO 0.15 -0.23 0.49 -0.44 0.00 0.00 0.00 174.94 174.91 2dku s SER 68 N 1.19 6.00 -0.87 3.58 0.01 -1.24 -0.87 113.70 121.49 2dku s SER 68 Ca -0.02 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dku s SER 68 Cb -0.20 -1.36 -0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dku s SER 68 CO -0.04 -0.43 0.72 0.00 0.41 0.00 0.00 173.24 173.90 2dku n ALA 69 N -1.68 -1.48 -0.74 1.44 0.00 -1.16 -4.94 120.51 111.95 2dku n ALA 69 Ca -0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 2dku n ALA 69 Cb 0.58 -1.99 0.24 0.00 0.00 0.00 0.00 19.45 18.28 2dku n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dku s LEU 70 N -5.15 0.45 -0.11 0.00 1.43 -1.26 -4.80 118.68 109.25 2dku s LEU 70 Ca 0.01 1.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.91 2dku s LEU 70 Cb -0.00 -2.91 0.12 0.00 0.03 0.00 0.00 46.19 43.43 2dku s LEU 70 CO 0.53 -4.27 1.03 -1.83 0.23 0.00 0.00 176.35 172.04 2dku s GLU 71 N -4.89 0.58 0.33 1.70 -1.05 -1.26 -2.37 118.70 111.74 2dku s GLU 71 Ca 0.68 -0.14 0.10 0.00 -0.15 0.00 0.00 54.97 55.46 2dku s GLU 71 Cb -0.18 0.27 0.99 0.00 -0.44 0.00 0.00 34.13 34.77 2dku s GLU 71 CO 0.60 -0.24 1.60 0.87 0.95 0.00 0.00 175.26 179.04 2dku h LYS 72 N 2.11 0.09 -0.61 -4.83 1.57 -1.95 0.82 116.57 113.78 2dku h LYS 72 Ca -0.17 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2dku h LYS 72 Cb 1.20 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 2dku h LYS 72 CO 0.28 0.06 0.18 0.00 -0.57 0.00 0.00 179.45 179.40 2dku h ALA 73 N 1.93 0.80 -1.00 3.86 0.00 -1.96 -2.86 119.26 120.02 2dku h ALA 73 Ca 0.69 -0.21 0.39 0.00 0.00 0.00 0.00 54.91 55.78 2dku h ALA 73 Cb 1.61 -0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 2dku h ALA 73 CO -0.77 0.47 0.52 0.22 0.00 0.00 0.00 179.25 179.69 2dku h ASP 74 N 0.87 0.34 -0.65 0.00 3.58 0.30 -3.39 116.42 117.47 2dku h ASP 74 Ca 0.20 0.24 -0.66 0.00 0.42 0.00 0.00 57.03 57.23 2dku h ASP 74 Cb 0.30 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 2dku h ASP 74 CO -0.01 -0.35 1.46 -1.20 -2.88 0.00 0.00 179.24 176.26 2dku n SER 75 N -5.21 1.47 -2.35 2.28 7.64 -1.08 -4.81 113.62 111.56 2dku n SER 75 Ca 0.36 0.38 -0.02 0.00 1.01 0.00 0.00 58.87 60.60 2dku n SER 75 Cb 1.18 -1.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dku n ASP 76 N 9.74 -1.03 -4.45 6.43 2.03 -1.26 -5.01 116.55 123.01 2dku n ASP 76 Ca 0.49 -1.54 -0.41 0.00 0.52 0.00 0.00 54.79 53.84 2dku n ASP 76 Cb 0.15 1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 42.11 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dku s THR 77 N -2.27 5.01 0.06 5.18 2.01 -1.26 -2.86 115.64 121.51 2dku s THR 77 Ca 0.13 -0.59 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 2dku s THR 77 Cb -0.02 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2dku s THR 77 CO 0.03 -0.18 0.45 -0.31 -0.69 0.00 0.00 174.62 173.92 2dku s TYR 78 N 1.65 3.67 -0.17 4.92 1.51 -1.07 -0.95 117.35 126.90 2dku s TYR 78 Ca 0.04 0.97 0.01 0.00 -1.01 0.00 0.00 57.07 57.08 2dku s TYR 78 Cb -0.18 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.41 2dku s TYR 78 CO 0.09 0.56 -0.16 0.99 -1.11 0.00 0.00 175.55 175.92 2dku s THR 79 N -1.26 1.79 -0.54 -0.71 2.01 0.34 -2.68 115.64 114.59 2dku s THR 79 Ca 0.30 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 2dku s THR 79 Cb -0.16 -1.69 0.08 0.00 0.01 0.00 0.00 72.50 70.74 2dku s THR 79 CO 0.16 0.43 0.66 0.00 -0.69 0.00 0.00 174.62 175.19 2dku s ASP 81 N 3.10 6.67 -0.00 0.00 -1.08 -1.19 -1.72 116.67 122.44 2dku s ASP 81 Ca 0.14 0.79 0.04 0.00 -0.52 0.00 0.00 52.55 53.00 2dku s ASP 81 Cb -0.21 -2.21 -0.06 0.00 -1.46 0.00 0.00 42.92 38.97 2dku s ASP 81 CO 0.09 0.28 0.12 2.30 0.52 0.00 0.00 175.17 178.48 2dku n ILE 82 N 2.25 0.00 0.00 4.11 -5.35 -0.96 -1.37 119.36 118.04 2dku n ILE 82 Ca -0.14 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 2dku n ILE 82 Cb 0.53 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 2dku n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dku n GLY 83 N 1.99 4.29 0.05 3.28 0.00 -1.26 -4.59 105.19 108.96 2dku n GLY 83 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 2dku n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dku n GLN 84 N 0.00 0.87 -4.38 1.61 1.13 -1.26 -5.06 117.38 110.29 2dku n GLN 84 Ca 0.00 0.05 -0.19 0.00 -1.94 0.00 0.00 57.00 54.92 2dku n GLN 84 Cb 0.00 -1.23 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dku s ALA 85 N -2.22 2.05 -0.07 -1.58 0.00 -1.26 -4.98 121.76 113.69 2dku s ALA 85 Ca -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 2dku s ALA 85 Cb 0.04 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2dku s ALA 85 CO 0.29 -0.22 0.17 -0.65 0.00 0.00 0.00 175.76 175.35 2dku s GLN 86 N -3.83 0.17 0.45 0.00 1.11 -1.26 -2.26 119.66 114.03 2dku s GLN 86 Ca 0.30 0.30 0.08 0.00 0.01 0.00 0.00 55.36 56.05 2dku s GLN 86 Cb 0.06 0.01 0.02 0.00 -1.01 0.00 0.00 33.01 32.08 2dku s GLN 86 CO 0.11 -0.07 0.61 0.45 0.01 0.00 0.00 175.29 176.40 2dku s SER 87 N 0.48 5.56 -0.11 5.90 0.15 -0.70 -4.90 113.70 120.08 2dku s SER 87 Ca -0.03 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 2dku s SER 87 Cb -0.05 -0.55 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 2dku s SER 87 CO -0.02 -0.86 0.32 -0.13 1.20 0.00 0.00 173.24 173.74 2dku s ARG 88 N -4.42 0.39 -0.10 5.44 0.52 -1.26 -2.36 118.95 117.17 2dku s ARG 88 Ca 0.56 0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 55.98 2dku s ARG 88 Cb -0.09 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.61 2dku s ARG 88 CO 0.34 -0.05 0.47 0.00 0.02 0.00 0.00 175.30 176.07 2dku s ALA 89 N 0.07 -1.17 -0.11 2.13 0.00 -1.09 -4.50 121.76 117.08 2dku s ALA 89 Ca -0.01 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2dku s ALA 89 Cb -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2dku s ALA 89 CO 0.01 -0.27 0.23 -0.65 0.00 0.00 0.00 175.76 175.08 2dku s GLN 90 N -0.56 3.80 0.02 0.00 -0.21 -1.26 -2.59 119.66 118.87 2dku s GLN 90 Ca -0.07 0.02 0.03 0.00 0.02 0.00 0.00 55.36 55.37 2dku s GLN 90 Cb -0.03 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 2dku s GLN 90 CO 0.04 0.59 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.58 2dku s LEU 91 N -0.57 3.28 -0.15 2.90 2.96 -1.13 -1.41 118.68 124.56 2dku s LEU 91 Ca 0.16 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2dku s LEU 91 Cb -0.13 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.66 2dku s LEU 91 CO 0.05 0.26 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.93 2dku s LEU 92 N -1.65 1.97 -0.73 -0.68 2.96 0.19 -4.13 118.68 116.61 2dku s LEU 92 Ca 0.19 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2dku s LEU 92 Cb -0.11 -1.35 0.19 0.00 0.50 0.00 0.00 46.19 45.42 2dku s LEU 92 CO 0.10 0.02 0.61 -0.69 -1.32 0.00 0.00 176.35 175.07 2dku s VAL 93 N 1.14 4.70 0.45 1.68 1.01 -1.25 -1.03 120.40 127.10 2dku s VAL 93 Ca -0.00 -2.70 -0.24 0.00 0.00 0.00 0.00 61.98 59.03 2dku s VAL 93 Cb -0.14 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 2dku s VAL 93 CO -0.07 -0.96 1.26 -1.10 0.00 0.00 0.00 175.10 174.23 2dku s GLN 94 N 0.06 3.75 -0.04 2.72 -1.52 -0.88 -4.57 119.66 119.19 2dku s GLN 94 Ca 0.17 2.03 -0.30 0.00 -1.95 0.00 0.00 55.36 55.31 2dku s GLN 94 Cb -0.15 -2.55 -0.04 0.00 -0.22 0.00 0.00 33.01 30.05 2dku s GLN 94 CO -0.06 -0.63 1.30 0.20 -0.25 0.00 0.00 175.29 175.84 2dku s GLY 95 N -1.00 1.97 0.56 3.09 0.00 -1.26 -0.04 107.32 110.64 2dku s GLY 95 Ca 0.62 0.73 -0.18 0.00 0.00 0.00 0.00 44.72 45.89 2dku s GLY 95 CO 0.44 2.37 1.09 -1.60 0.00 0.00 0.00 173.10 175.39 2dku s ARG 96 N 2.37 3.36 -0.81 2.90 3.52 -1.26 -4.76 118.95 124.26 2dku s ARG 96 Ca 0.59 1.44 -0.17 0.00 -0.13 0.00 0.00 55.73 57.46 2dku s ARG 96 Cb -0.28 -2.02 -0.22 0.00 -1.56 0.00 0.00 34.95 30.87 2dku s ARG 96 CO 0.24 -0.81 1.99 -2.13 -0.81 0.00 0.00 175.30 173.78 2dku n ARG 97 N -1.55 0.00 0.14 5.12 0.00 -1.26 -4.70 116.66 114.41 2dku n ARG 97 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.94 2dku n ARG 97 Cb 0.52 -1.04 0.22 0.00 0.00 0.00 0.00 32.46 32.16 2dku n ARG 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2dku h SER 98 N 9.38 0.06 -0.31 6.15 4.64 -1.94 -3.49 113.55 128.04 2dku h SER 98 Ca -0.01 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2dku h SER 98 Cb 1.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2dku h SER 98 CO 1.21 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 178.36 2dku n GLY 99 N 0.02 -1.13 0.22 -0.77 0.00 -1.26 -4.95 105.19 97.32 2dku n GLY 99 Ca -0.02 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.81 2dku n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dku h PRO 100 N 0.61 0.00 -6.40 1.61 0.13 -1.98 -3.45 132.00 122.52 2dku h PRO 100 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 2dku h PRO 100 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 2dku h PRO 100 CO 0.00 0.27 0.03 -1.13 -0.23 0.00 0.00 178.00 176.93 2dku n SER 101 N -3.56 0.90 -4.67 1.44 3.41 -1.26 -4.86 113.62 105.02 2dku n SER 101 Ca -0.01 1.17 -0.43 0.00 -0.26 0.00 0.00 58.87 59.35 2dku n SER 101 Cb 0.41 -1.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.10 2dku n SER 101 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dku s SER 102 N -0.63 6.93 0.00 4.04 1.04 -1.26 -5.03 113.70 118.80 2dku s SER 102 Ca 0.59 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.83 2dku s SER 102 Cb -0.74 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 62.84 2dku s SER 102 CO 0.59 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.69