#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 -5.40 -0.00 1.61 7.64 -1.26 -4.93 113.62 111.28 2dku n SER 2 Ca 0.00 -0.52 -0.13 0.00 1.01 0.00 0.00 58.87 59.24 2dku n SER 2 Cb 0.00 -4.75 -0.10 0.00 -1.01 0.00 0.00 64.21 58.35 2dku n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dku h SER 3 N -2.40 -0.05 0.00 6.43 0.02 -2.10 -3.43 113.55 112.01 2dku h SER 3 Ca -0.53 -0.54 -0.15 0.00 -0.84 0.00 0.00 61.79 59.73 2dku h SER 3 Cb 1.34 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.77 2dku h SER 3 CO 0.51 0.54 -0.19 0.61 -1.14 0.00 0.00 176.83 177.16 2dku n GLY 4 N 0.55 0.94 3.25 -3.77 0.00 -1.26 -5.15 105.19 99.74 2dku n GLY 4 Ca -0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2dku n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dku s SER 5 N -0.85 0.94 -0.15 1.61 0.01 -1.26 -5.15 113.70 108.84 2dku s SER 5 Ca 0.12 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2dku s SER 5 Cb 0.31 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2dku s SER 5 CO -0.08 -0.68 -0.14 -0.55 0.41 0.00 0.00 173.24 172.21 2dku s SER 6 N -3.20 2.65 0.00 2.44 0.15 -1.26 -4.92 113.70 109.56 2dku s SER 6 Ca 0.30 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dku s SER 6 Cb 0.07 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2dku s SER 6 CO 0.08 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2dku n GLY 7 N 4.79 1.81 3.56 9.45 0.00 -1.26 -5.18 105.19 118.35 2dku n GLY 7 Ca -0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 2dku n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dku s ALA 8 N -2.00 -1.80 0.39 4.61 0.00 -1.26 -5.18 121.76 116.52 2dku s ALA 8 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2dku s ALA 8 Cb 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2dku s ALA 8 CO 0.00 -0.77 0.41 1.21 0.00 0.00 0.00 175.76 176.62 2dku s ASN 9 N -2.58 5.33 0.15 0.00 2.47 -1.26 -4.99 114.94 114.05 2dku s ASN 9 Ca 0.07 -0.57 -0.24 0.00 0.42 0.00 0.00 52.86 52.55 2dku s ASN 9 Cb -0.01 -0.74 0.07 0.00 -1.45 0.00 0.00 41.25 39.12 2dku s ASN 9 CO -0.07 -0.59 0.66 0.00 -3.72 0.00 0.00 177.10 173.38 2dku s PHE 11 N -3.67 3.16 0.18 0.00 0.40 -1.26 -0.30 117.98 116.48 2dku s PHE 11 Ca 0.03 0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2dku s PHE 11 Cb -0.02 -3.00 0.05 0.00 0.51 0.00 0.00 43.02 40.57 2dku s PHE 11 CO -0.10 -0.62 1.43 1.79 0.70 0.00 0.00 175.22 178.42 2dku h THR 12 N 5.68 1.39 -3.25 0.64 1.35 -1.85 -3.41 112.91 113.47 2dku h THR 12 Ca -0.27 -2.20 -0.59 0.00 -0.55 0.00 0.00 66.41 62.80 2dku h THR 12 Cb 1.12 2.17 -0.40 0.00 -1.73 0.00 0.00 68.15 69.31 2dku h THR 12 CO 0.80 0.66 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.36 2dku s GLU 13 N -3.55 0.84 0.73 4.72 2.02 -1.26 -5.03 118.70 117.18 2dku s GLU 13 Ca -0.05 -1.09 -0.14 0.00 0.02 0.00 0.00 54.97 53.71 2dku s GLU 13 Cb 0.10 -2.16 0.04 0.00 0.10 0.00 0.00 34.13 32.22 2dku s GLU 13 CO 0.84 -0.93 1.17 -1.21 0.02 0.00 0.00 175.26 175.15 2dku s GLU 14 N 1.55 2.20 1.31 1.61 2.02 -1.26 -2.37 118.70 123.76 2dku s GLU 14 Ca 0.08 1.59 -0.20 0.00 0.02 0.00 0.00 54.97 56.46 2dku s GLU 14 Cb -0.17 -1.86 0.31 0.00 0.10 0.00 0.00 34.13 32.51 2dku s GLU 14 CO -0.21 -1.75 0.71 1.28 0.02 0.00 0.00 175.26 175.31 2dku n LEU 15 N -2.86 -0.83 -3.89 1.80 4.77 -1.26 -4.89 117.00 109.84 2dku n LEU 15 Ca 0.12 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 2dku n LEU 15 Cb 0.51 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.49 2dku n LEU 15 CO 0.48 -4.07 -0.37 0.28 -1.33 0.00 0.00 177.39 172.38 2dku s THR 16 N -2.14 0.13 -0.03 -5.08 -1.32 -1.26 -4.95 115.64 100.99 2dku s THR 16 Ca 0.58 -0.05 -0.35 0.00 -1.21 0.00 0.00 61.69 60.66 2dku s THR 16 Cb -0.12 -0.12 -0.13 0.00 -1.51 0.00 0.00 72.50 70.62 2dku s THR 16 CO 0.51 0.04 1.76 -0.46 -2.21 0.00 0.00 174.62 174.27 2dku n ASN 17 N 3.12 3.19 -4.85 8.08 0.23 -1.26 -4.71 115.26 119.05 2dku n ASN 17 Ca -0.13 1.02 -0.32 0.00 -0.53 0.00 0.00 54.58 54.62 2dku n ASN 17 Cb 0.59 -1.36 -0.05 0.00 -2.08 0.00 0.00 39.78 36.88 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2dku s LEU 18 N 3.02 4.13 -0.17 -4.53 1.43 -0.41 -4.98 118.68 117.17 2dku s LEU 18 Ca 0.89 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 54.13 2dku s LEU 18 Cb -0.73 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 42.89 2dku s LEU 18 CO 0.49 0.20 0.07 -1.10 0.23 0.00 0.00 176.35 176.24 2dku s GLN 19 N -2.26 0.24 0.01 1.70 -0.21 -1.26 -0.98 119.66 116.89 2dku s GLN 19 Ca 0.30 -0.14 -0.18 0.00 0.02 0.00 0.00 55.36 55.36 2dku s GLN 19 Cb -0.13 -1.81 0.03 0.00 1.00 0.00 0.00 33.01 32.11 2dku s GLN 19 CO 0.23 -0.63 0.39 0.08 -2.12 0.00 0.00 175.29 173.24 2dku s VAL 20 N 2.06 0.05 0.79 1.09 1.01 -0.29 -4.98 120.40 120.13 2dku s VAL 20 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2dku s VAL 20 Cb -0.16 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.47 2dku s VAL 20 CO -0.08 -0.24 1.12 -1.61 0.00 0.00 0.00 175.10 174.29 2dku s GLU 21 N -1.83 2.01 0.85 2.72 2.02 -1.26 -1.68 118.70 121.52 2dku s GLU 21 Ca -0.09 1.37 -0.11 0.00 0.02 0.00 0.00 54.97 56.16 2dku s GLU 21 Cb -0.03 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.46 2dku s GLU 21 CO 0.02 -1.86 1.15 -1.83 0.02 0.00 0.00 175.26 172.76 2dku s GLU 22 N -4.59 1.48 -1.59 1.61 -1.05 -1.04 -3.17 118.70 110.33 2dku s GLU 22 Ca 0.65 1.53 -0.01 0.00 -0.15 0.00 0.00 54.97 56.98 2dku s GLU 22 Cb -0.21 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2dku s GLU 22 CO 0.53 -2.29 0.18 1.63 0.95 0.00 0.00 175.26 176.26 2dku n LYS 23 N -3.79 -2.52 0.00 -4.83 4.76 -0.63 -4.74 118.16 106.41 2dku n LYS 23 Ca 0.12 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 2dku n LYS 23 Cb 0.52 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 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 -1.17 1.07 3.19 0.72 0.00 -1.19 -4.69 105.19 103.12 2dku n GLY 24 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 3.32 -0.74 -0.20 2.61 2.01 -1.26 -3.17 115.64 118.21 2dku s THR 25 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2dku s THR 25 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2dku s THR 25 CO 0.00 0.00 -0.03 0.00 -0.69 0.00 0.00 174.62 173.90 2dku s ALA 26 N 2.87 2.90 -0.41 7.40 0.00 0.59 -4.92 121.76 130.18 2dku s ALA 26 Ca 0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2dku s ALA 26 Cb -0.13 -1.67 0.11 0.00 0.00 0.00 0.00 23.12 21.44 2dku s ALA 26 CO -0.17 -0.19 0.18 0.08 0.00 0.00 0.00 175.76 175.66 2dku s VAL 27 N 1.08 3.02 -0.56 0.00 1.01 -1.26 0.03 120.40 123.72 2dku s VAL 27 Ca 0.01 -2.26 -0.27 0.00 0.00 0.00 0.00 61.98 59.46 2dku s VAL 27 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2dku s VAL 27 CO 0.00 -0.69 1.86 -0.36 0.00 0.00 0.00 175.10 175.92 2dku s PHE 28 N 0.92 1.68 -0.09 5.22 0.08 -0.68 -4.79 117.98 120.31 2dku s PHE 28 Ca 0.10 0.79 -0.15 0.00 0.12 0.00 0.00 56.93 57.79 2dku s PHE 28 Cb -0.22 -4.08 -0.05 0.00 -0.57 0.00 0.00 43.02 38.10 2dku s PHE 28 CO -0.05 -2.40 0.39 0.95 -0.10 0.00 0.00 175.22 174.01 2dku s THR 29 N 8.80 5.18 0.28 0.64 -4.23 -1.26 -1.93 115.64 123.12 2dku s THR 29 Ca 0.70 0.78 0.03 0.00 -1.18 0.00 0.00 61.69 62.01 2dku s THR 29 Cb -0.14 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 2dku s THR 29 CO 0.23 0.43 0.32 0.00 -0.54 0.00 0.00 174.62 175.06 2dku s LYS 31 N -2.90 1.01 -0.02 0.00 2.20 -1.00 -2.29 119.74 116.75 2dku s LYS 31 Ca 0.29 -1.29 -0.10 0.00 -0.36 0.00 0.00 55.97 54.50 2dku s LYS 31 Cb 0.00 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2dku s LYS 31 CO 0.20 -0.33 0.22 0.95 -0.36 0.00 0.00 175.35 176.04 2dku s THR 32 N -4.00 0.06 0.20 3.43 -4.23 -1.18 -3.68 115.64 106.24 2dku s THR 32 Ca 0.20 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 60.13 2dku s THR 32 Cb 0.06 -0.48 0.14 0.00 1.34 0.00 0.00 72.50 73.55 2dku s THR 32 CO -0.00 -0.27 1.77 -0.08 -0.54 0.00 0.00 174.62 175.50 2dku h GLU 33 N 4.39 1.13 -6.44 3.99 4.81 -0.99 -3.44 114.58 118.02 2dku h GLU 33 Ca -0.29 -0.20 -0.62 0.00 -0.13 0.00 0.00 59.36 58.11 2dku h GLU 33 Cb 1.19 -0.19 -0.24 0.00 0.63 0.00 0.00 28.75 30.15 2dku h GLU 33 CO 0.39 0.91 -0.85 -1.01 -0.73 0.00 0.00 179.01 177.72 2dku s HIS 34 N -5.57 2.03 -0.97 0.92 3.76 -1.26 -5.02 115.29 109.17 2dku s HIS 34 Ca -0.12 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 2dku s HIS 34 Cb 0.15 -1.15 -0.06 0.00 1.11 0.00 0.00 32.58 32.63 2dku s HIS 34 CO 0.83 0.20 1.95 -1.25 -0.85 0.00 0.00 174.74 175.61 2dku s PRO 35 N -1.64 2.54 1.06 8.40 0.04 -1.26 -4.96 135.00 139.18 2dku s PRO 35 Ca 0.10 -0.49 -0.20 0.00 0.04 0.00 0.00 61.00 60.44 2dku s PRO 35 Cb -0.10 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2dku s PRO 35 CO 0.04 -3.52 -0.40 0.00 0.04 0.00 0.00 177.00 173.16 2dku n ALA 36 N 14.09 -4.49 -0.02 8.56 0.00 -1.26 -4.94 120.51 132.45 2dku n ALA 36 Ca 0.41 -1.19 0.07 0.00 0.00 0.00 0.00 53.44 52.72 2dku n ALA 36 Cb 0.47 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 2dku n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dku n ALA 37 N -3.96 2.51 -3.41 0.00 0.00 -1.26 -5.01 120.51 109.37 2dku n ALA 37 Ca 0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.76 2dku n ALA 37 Cb 0.64 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 2dku n ALA 37 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dku s THR 38 N -3.13 0.02 -0.04 0.00 -1.32 -1.26 -5.17 115.64 104.74 2dku s THR 38 Ca -0.07 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 2dku s THR 38 Cb 0.11 -0.83 0.01 0.00 -1.51 0.00 0.00 72.50 70.28 2dku s THR 38 CO 0.74 -0.09 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.29 2dku s VAL 39 N -1.02 0.73 -0.39 5.08 1.01 -1.26 -4.50 120.40 120.05 2dku s VAL 39 Ca -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2dku s VAL 39 Cb -0.02 -0.70 0.12 0.00 0.00 0.00 0.00 36.38 35.77 2dku s VAL 39 CO 0.07 0.26 0.16 -0.89 0.00 0.00 0.00 175.10 174.69 2dku s THR 40 N 0.62 1.60 1.12 3.92 2.01 -0.32 -5.00 115.64 119.60 2dku s THR 40 Ca -0.10 -2.26 -0.15 0.00 0.31 0.00 0.00 61.69 59.49 2dku s THR 40 Cb -0.13 -2.16 0.25 0.00 0.01 0.00 0.00 72.50 70.48 2dku s THR 40 CO 0.01 -0.75 1.07 0.26 -0.69 0.00 0.00 174.62 174.52 2dku s TRP 41 N 0.77 1.39 -0.23 4.92 0.52 -1.26 -3.11 118.94 121.93 2dku s TRP 41 Ca 0.14 0.89 -0.11 0.00 0.02 0.00 0.00 56.10 57.04 2dku s TRP 41 Cb -0.21 -3.23 0.08 0.00 -1.15 0.00 0.00 33.47 28.96 2dku s TRP 41 CO -0.09 -3.54 0.54 0.50 0.02 0.00 0.00 176.95 174.38 2dku s ARG 42 N -4.93 0.51 -0.68 4.98 3.52 0.02 -1.85 118.95 120.52 2dku s ARG 42 Ca 0.68 1.10 -0.21 0.00 -0.13 0.00 0.00 55.73 57.16 2dku s ARG 42 Cb -0.18 0.27 0.09 0.00 -1.56 0.00 0.00 34.95 33.56 2dku s ARG 42 CO 0.59 -0.18 0.93 0.21 -0.81 0.00 0.00 175.30 176.03 2dku s LYS 43 N 2.00 3.16 0.81 5.12 2.20 0.40 -0.17 119.74 133.26 2dku s LYS 43 Ca -0.07 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2dku s LYS 43 Cb -0.09 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 2dku s LYS 43 CO -0.16 -1.75 0.00 0.41 -0.36 0.00 0.00 175.35 173.49 2dku n GLY 44 N 5.33 0.49 0.81 5.54 0.00 0.64 -1.03 105.19 116.97 2dku n GLY 44 Ca -0.01 0.69 0.05 0.00 0.00 0.00 0.00 46.02 46.74 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 1.54 -4.00 0.99 4.77 -1.26 -4.92 117.00 114.12 2dku n LEU 45 Ca 0.00 -2.56 -0.15 0.00 -0.03 0.00 0.00 56.01 53.27 2dku n LEU 45 Cb 0.00 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2dku n LEU 45 CO 0.00 0.76 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.20 2dku s LEU 46 N -1.43 2.09 0.09 2.23 2.96 -0.20 -5.14 118.68 119.29 2dku s LEU 46 Ca 0.28 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.67 2dku s LEU 46 Cb 0.29 -0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.69 2dku s LEU 46 CO -0.08 -0.03 0.85 -0.70 -1.32 0.00 0.00 176.35 175.08 2dku s GLU 47 N -0.63 4.60 0.18 1.98 2.12 -1.26 0.15 118.70 125.84 2dku s GLU 47 Ca -0.02 1.25 -0.04 0.00 0.36 0.00 0.00 54.97 56.51 2dku s GLU 47 Cb -0.05 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 2dku s GLU 47 CO 0.00 0.30 0.41 -0.51 -0.54 0.00 0.00 175.26 174.92 2dku s LEU 48 N -0.20 4.23 0.08 2.70 1.43 -0.77 -4.82 118.68 121.32 2dku s LEU 48 Ca 0.42 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2dku s LEU 48 Cb -0.22 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2dku s LEU 48 CO 0.26 -0.00 -0.09 -0.13 0.23 0.00 0.00 176.35 176.62 2dku s ARG 49 N -2.88 0.73 -0.36 1.70 3.00 -1.26 -4.47 118.95 115.40 2dku s ARG 49 Ca 0.41 -1.02 -0.27 0.00 0.00 0.00 0.00 55.73 54.85 2dku s ARG 49 Cb -0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 34.95 34.35 2dku s ARG 49 CO 0.26 0.07 2.32 0.00 0.00 0.00 0.00 175.30 177.94 2dku s ALA 50 N -2.13 2.16 0.17 2.13 0.00 -1.23 -4.23 121.76 118.63 2dku s ALA 50 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 2dku s ALA 50 Cb -0.05 -4.22 0.06 0.00 0.00 0.00 0.00 23.12 18.91 2dku s ALA 50 CO -0.00 -3.66 0.58 0.45 0.00 0.00 0.00 175.76 173.13 2dku s SER 51 N 10.31 -0.47 0.38 0.00 0.15 0.79 -4.97 113.70 119.88 2dku s SER 51 Ca 0.99 -0.13 0.31 0.00 0.70 0.00 0.00 55.95 57.82 2dku s SER 51 Cb -0.25 0.59 1.22 0.00 -1.71 0.00 0.00 66.02 65.88 2dku s SER 51 CO 0.30 -1.00 1.19 0.61 1.20 0.00 0.00 173.24 175.55 2dku n GLY 52 N -0.36 -0.69 0.08 9.45 0.00 -1.26 -0.17 105.19 112.24 2dku n GLY 52 Ca -0.15 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.11 -4.43 1.61 1.63 -1.90 -3.42 116.57 109.94 2dku h LYS 53 Ca 0.69 0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 59.80 2dku h LYS 53 Cb 2.49 0.03 -0.33 0.00 -0.60 0.00 0.00 32.23 33.82 2dku h LYS 53 CO -0.20 -0.08 -0.50 -1.01 -3.45 0.00 0.00 179.45 174.21 2dku s HIS 54 N -1.88 3.53 -0.59 1.91 3.76 0.76 -3.35 115.29 119.43 2dku s HIS 54 Ca -0.02 -2.22 -0.01 0.00 -0.15 0.00 0.00 55.06 52.66 2dku s HIS 54 Cb 0.00 -3.27 0.15 0.00 1.11 0.00 0.00 32.58 30.57 2dku s HIS 54 CO 0.05 -0.97 0.38 -0.65 -0.85 0.00 0.00 174.74 172.70 2dku s GLN 55 N 1.22 2.38 1.15 1.40 -1.52 -1.00 -0.15 119.66 123.14 2dku s GLN 55 Ca 0.07 -2.52 -0.17 0.00 -1.95 0.00 0.00 55.36 50.79 2dku s GLN 55 Cb -0.24 -3.61 0.26 0.00 -0.22 0.00 0.00 33.01 29.20 2dku s GLN 55 CO -0.03 -1.15 1.11 -1.25 -0.25 0.00 0.00 175.29 173.72 2dku s PRO 56 N -0.06 -0.80 0.28 2.91 0.04 -1.26 -2.76 135.00 133.36 2dku s PRO 56 Ca 0.16 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 2dku s PRO 56 Cb -0.22 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2dku s PRO 56 CO -0.03 -3.46 0.53 -1.12 0.04 0.00 0.00 177.00 172.96 2dku s SER 57 N -3.77 0.12 -0.23 6.66 0.01 -0.51 -4.90 113.70 111.08 2dku s SER 57 Ca 0.69 -1.05 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 2dku s SER 57 Cb -0.12 0.64 0.11 0.00 0.21 0.00 0.00 66.02 66.86 2dku s SER 57 CO 0.56 -1.25 0.27 -1.58 0.41 0.00 0.00 173.24 171.65 2dku s GLN 58 N -3.62 0.25 -0.45 12.44 0.74 -1.26 -4.06 119.66 123.71 2dku s GLN 58 Ca 0.23 0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.84 2dku s GLN 58 Cb -0.01 -0.95 0.12 0.00 1.10 0.00 0.00 33.01 33.27 2dku s GLN 58 CO 0.12 -0.75 0.20 -1.21 -0.55 0.00 0.00 175.29 173.10 2dku s GLU 59 N 2.37 1.57 4.77 1.67 0.41 -0.41 -5.04 118.70 124.04 2dku s GLU 59 Ca 0.09 -2.17 0.00 0.00 -0.41 0.00 0.00 54.97 52.48 2dku s GLU 59 Cb -0.15 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 2dku s GLU 59 CO -0.18 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 173.91 2dku n GLY 60 N 3.59 2.85 2.22 -1.39 0.00 -1.26 -0.19 105.19 111.01 2dku n GLY 60 Ca 0.05 0.31 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 6.71 -3.72 0.99 4.77 -1.26 -4.52 117.00 119.97 2dku n LEU 61 Ca 0.00 -3.59 -0.19 0.00 -0.03 0.00 0.00 56.01 52.21 2dku n LEU 61 Cb 0.00 -0.84 -0.17 0.00 -2.33 0.00 0.00 43.42 40.08 2dku n LEU 61 CO 0.00 1.04 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.86 2dku s THR 62 N -3.27 -0.01 0.16 -5.08 2.01 0.74 -3.13 115.64 107.06 2dku s THR 62 Ca 0.57 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.97 2dku s THR 62 Cb 0.48 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.75 2dku s THR 62 CO 0.11 0.16 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.28 2dku s LEU 63 N 1.76 2.72 -0.10 4.42 1.43 -0.97 -1.29 118.68 126.65 2dku s LEU 63 Ca -0.00 -0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 2dku s LEU 63 Cb -0.12 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.69 2dku s LEU 63 CO -0.03 0.13 0.64 0.00 0.23 0.00 0.00 176.35 177.32 2dku s ARG 64 N -2.57 0.95 -0.19 1.70 1.70 -1.26 -0.71 118.95 118.58 2dku s ARG 64 Ca 0.21 0.39 -0.00 0.00 -0.47 0.00 0.00 55.73 55.86 2dku s ARG 64 Cb -0.09 0.45 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2dku s ARG 64 CO 0.12 -0.25 -0.06 -1.17 -1.08 0.00 0.00 175.30 172.85 2dku s LEU 65 N -0.81 1.96 -0.01 -1.89 2.96 -0.81 -1.42 118.68 118.67 2dku s LEU 65 Ca -0.08 -0.84 -0.28 0.00 -0.22 0.00 0.00 54.13 52.70 2dku s LEU 65 Cb -0.02 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 2dku s LEU 65 CO 0.07 -0.19 0.90 -0.89 -1.32 0.00 0.00 176.35 174.92 2dku s THR 66 N 1.54 4.88 -0.21 3.68 2.01 -1.11 -1.69 115.64 124.73 2dku s THR 66 Ca -0.01 1.89 -0.00 0.00 0.31 0.00 0.00 61.69 63.88 2dku s THR 66 Cb -0.16 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.16 2dku s THR 66 CO -0.07 0.20 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.39 2dku s ILE 67 N 0.83 1.25 0.31 1.82 1.01 0.10 -2.36 121.20 124.16 2dku s ILE 67 Ca 0.47 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2dku s ILE 67 Cb -0.20 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2dku s ILE 67 CO 0.25 -0.08 0.26 -0.44 0.00 0.00 0.00 174.94 174.93 2dku s SER 68 N 1.53 5.34 -1.07 3.58 0.01 -1.21 -0.30 113.70 121.58 2dku s SER 68 Ca -0.04 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2dku s SER 68 Cb -0.18 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2dku s SER 68 CO -0.07 -0.26 0.91 0.00 0.41 0.00 0.00 173.24 174.23 2dku n ALA 69 N -1.31 -1.42 -0.39 1.44 0.00 -1.19 -4.84 120.51 112.80 2dku n ALA 69 Ca -0.04 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 2dku n ALA 69 Cb 0.59 -3.34 0.27 0.00 0.00 0.00 0.00 19.45 16.98 2dku n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dku n LEU 70 N -3.94 -1.39 -3.74 0.00 4.77 -1.26 -4.67 117.00 106.77 2dku n LEU 70 Ca -0.13 -0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 55.37 2dku n LEU 70 Cb 0.60 -1.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2dku n LEU 70 CO 0.53 -3.81 0.74 -1.83 -1.33 0.00 0.00 177.39 171.68 2dku s GLU 71 N -4.54 1.14 0.43 3.23 -1.05 -1.26 -1.60 118.70 115.05 2dku s GLU 71 Ca 0.67 -0.63 0.16 0.00 -0.15 0.00 0.00 54.97 55.02 2dku s GLU 71 Cb -0.20 0.39 1.08 0.00 -0.44 0.00 0.00 34.13 34.96 2dku s GLU 71 CO 0.62 -0.52 1.92 0.87 0.95 0.00 0.00 175.26 179.10 2dku h LYS 72 N 2.00 0.38 -0.19 -4.83 6.56 -1.97 -1.34 116.57 117.18 2dku h LYS 72 Ca -0.24 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.27 2dku h LYS 72 Cb 1.23 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2dku h LYS 72 CO 0.26 0.25 -0.10 0.00 -2.06 0.00 0.00 179.45 177.80 2dku h ALA 73 N 1.65 0.26 -1.50 3.86 0.00 -1.97 -2.96 119.26 118.61 2dku h ALA 73 Ca 0.37 -0.29 0.43 0.00 0.00 0.00 0.00 54.91 55.43 2dku h ALA 73 Cb 0.88 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2dku h ALA 73 CO -0.11 0.09 1.16 -0.44 0.00 0.00 0.00 179.25 179.95 2dku h ASP 74 N 0.08 0.00 -0.89 0.00 5.19 -1.63 -3.37 116.42 115.80 2dku h ASP 74 Ca 0.04 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.12 2dku h ASP 74 Cb 0.58 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2dku h ASP 74 CO 0.03 0.00 1.24 -1.20 -3.12 0.00 0.00 179.24 176.18 2dku n SER 75 N -3.88 1.57 -3.14 6.45 7.64 -1.12 -4.79 113.62 116.34 2dku n SER 75 Ca 0.33 -0.69 -0.06 0.00 1.01 0.00 0.00 58.87 59.46 2dku n SER 75 Cb 1.63 -1.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 2dku n SER 75 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dku s ASP 76 N 10.43 0.01 -0.41 6.43 1.01 -1.26 -4.99 116.67 127.89 2dku s ASP 76 Ca 1.05 -0.90 -0.20 0.00 0.71 0.00 0.00 52.55 53.21 2dku s ASP 76 Cb -0.37 0.66 0.02 0.00 1.01 0.00 0.00 42.92 44.24 2dku s ASP 76 CO 0.27 -1.32 0.58 -0.89 0.21 0.00 0.00 175.17 174.02 2dku s THR 77 N -2.19 4.91 0.05 -1.27 2.01 -1.26 -3.14 115.64 114.76 2dku s THR 77 Ca 0.19 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.07 2dku s THR 77 Cb -0.04 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 2dku s THR 77 CO 0.08 -0.48 0.70 -0.31 -0.69 0.00 0.00 174.62 173.92 2dku s TYR 78 N 2.62 3.75 -0.23 4.92 1.51 -0.72 -0.26 117.35 128.95 2dku s TYR 78 Ca 0.20 1.40 -0.00 0.00 -1.01 0.00 0.00 57.07 57.66 2dku s TYR 78 Cb -0.15 -2.72 0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2dku s TYR 78 CO 0.17 0.36 -0.11 0.99 -1.11 0.00 0.00 175.55 175.85 2dku s THR 79 N -0.35 2.53 -0.54 -0.71 2.01 0.75 -2.13 115.64 117.21 2dku s THR 79 Ca 0.35 -1.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.10 2dku s THR 79 Cb -0.20 -2.25 0.08 0.00 0.01 0.00 0.00 72.50 70.14 2dku s THR 79 CO 0.21 0.28 0.62 0.00 -0.69 0.00 0.00 174.62 175.05 2dku s ASP 81 N 3.09 6.65 -0.01 0.00 -1.08 -1.18 -2.10 116.67 122.03 2dku s ASP 81 Ca 0.12 0.77 0.09 0.00 -0.52 0.00 0.00 52.55 53.01 2dku s ASP 81 Cb -0.22 -2.20 -0.14 0.00 -1.46 0.00 0.00 42.92 38.90 2dku s ASP 81 CO 0.09 0.30 0.21 2.30 0.52 0.00 0.00 175.17 178.58 2dku n ILE 82 N 2.18 0.00 0.00 4.11 -5.35 -0.91 -1.17 119.36 118.22 2dku n ILE 82 Ca -0.15 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2dku n ILE 82 Cb 0.53 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.96 2.14 0.00 3.28 0.00 -1.26 -4.48 105.19 106.83 2dku n GLY 83 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 2dku n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dku n GLN 84 N 0.00 2.86 -4.26 1.61 -0.06 -1.26 -5.08 117.38 111.18 2dku n GLN 84 Ca 0.00 -0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 2dku n GLN 84 Cb 0.00 -1.02 -0.10 0.00 -4.06 0.00 0.00 30.24 25.06 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dku s ALA 85 N -2.03 1.48 -0.14 1.69 0.00 -1.26 -4.96 121.76 116.55 2dku s ALA 85 Ca -0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.06 2dku s ALA 85 Cb 0.00 1.18 0.04 0.00 0.00 0.00 0.00 23.12 24.34 2dku s ALA 85 CO 0.03 -0.51 0.35 -0.65 0.00 0.00 0.00 175.76 174.98 2dku s GLN 86 N -4.09 0.39 0.57 0.00 1.11 -1.26 -2.14 119.66 114.25 2dku s GLN 86 Ca 0.38 0.54 0.08 0.00 0.01 0.00 0.00 55.36 56.37 2dku s GLN 86 Cb 0.07 0.14 0.07 0.00 -1.01 0.00 0.00 33.01 32.29 2dku s GLN 86 CO 0.13 -0.08 0.67 0.45 0.01 0.00 0.00 175.29 176.47 2dku s SER 87 N 0.47 4.93 -0.08 5.90 0.15 -0.89 -4.91 113.70 119.27 2dku s SER 87 Ca -0.02 -0.99 -0.14 0.00 0.70 0.00 0.00 55.95 55.49 2dku s SER 87 Cb -0.04 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2dku s SER 87 CO -0.02 -1.29 0.35 -0.13 1.20 0.00 0.00 173.24 173.36 2dku s ARG 88 N -4.55 0.56 -0.03 5.44 0.52 -1.26 -2.88 118.95 116.75 2dku s ARG 88 Ca 0.53 0.18 -0.19 0.00 -0.52 0.00 0.00 55.73 55.74 2dku s ARG 88 Cb -0.04 0.26 0.04 0.00 0.52 0.00 0.00 34.95 35.72 2dku s ARG 88 CO 0.33 -0.12 0.40 0.00 0.02 0.00 0.00 175.30 175.93 2dku s ALA 89 N -0.55 -1.03 -0.14 2.13 0.00 -0.90 -4.46 121.76 116.81 2dku s ALA 89 Ca -0.07 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 2dku s ALA 89 Cb -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2dku s ALA 89 CO 0.03 -0.28 0.07 -0.65 0.00 0.00 0.00 175.76 174.92 2dku s GLN 90 N -1.17 3.53 -0.06 0.00 -0.21 -1.26 -1.76 119.66 118.73 2dku s GLN 90 Ca -0.12 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 54.99 2dku s GLN 90 Cb -0.04 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.86 2dku s GLN 90 CO 0.05 0.55 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.48 2dku s LEU 91 N -0.40 2.86 -0.27 2.90 2.96 -1.19 -1.29 118.68 124.25 2dku s LEU 91 Ca 0.09 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2dku s LEU 91 Cb -0.12 -1.60 0.05 0.00 0.50 0.00 0.00 46.19 45.03 2dku s LEU 91 CO 0.02 0.34 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.09 2dku s LEU 92 N -0.70 3.52 -0.86 -0.68 2.96 -0.16 -4.17 118.68 118.59 2dku s LEU 92 Ca 0.11 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.54 2dku s LEU 92 Cb -0.11 -1.60 0.18 0.00 0.50 0.00 0.00 46.19 45.16 2dku s LEU 92 CO 0.01 -0.20 0.92 -0.69 -1.32 0.00 0.00 176.35 175.07 2dku s VAL 93 N 1.16 5.20 -0.59 1.68 1.01 -1.25 -1.14 120.40 126.48 2dku s VAL 93 Ca -0.07 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 2dku s VAL 93 Cb -0.20 -4.60 -0.02 0.00 0.00 0.00 0.00 36.38 31.56 2dku s VAL 93 CO -0.04 -1.24 1.88 -1.10 0.00 0.00 0.00 175.10 174.60 2dku s GLN 94 N 1.35 2.65 -0.81 2.72 -0.21 -0.68 -4.58 119.66 120.10 2dku s GLN 94 Ca 0.24 0.70 -0.27 0.00 0.02 0.00 0.00 55.36 56.06 2dku s GLN 94 Cb -0.08 -4.38 -0.18 0.00 1.00 0.00 0.00 33.01 29.36 2dku s GLN 94 CO -0.09 -2.70 2.53 0.41 -2.12 0.00 0.00 175.29 173.32 2dku n GLY 95 N 5.69 -0.24 0.28 3.09 0.00 -1.26 -2.51 105.19 110.25 2dku n GLY 95 Ca 0.21 0.81 -0.02 0.00 0.00 0.00 0.00 46.02 47.02 2dku n GLY 95 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dku n ARG 96 N 8.39 -0.19 -0.01 1.61 1.85 -1.26 -3.28 116.66 123.77 2dku n ARG 96 Ca 0.55 1.12 -0.00 0.00 -1.00 0.00 0.00 57.85 58.51 2dku n ARG 96 Cb 0.25 -1.66 -0.00 0.00 -1.05 0.00 0.00 32.46 30.00 2dku n ARG 96 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2dku n ARG 97 N -5.05 0.04 -0.94 2.89 3.00 -1.26 -4.98 116.66 110.36 2dku n ARG 97 Ca 0.07 0.21 -0.35 0.00 -0.00 0.00 0.00 57.85 57.78 2dku n ARG 97 Cb 0.28 -0.77 0.08 0.00 0.00 0.00 0.00 32.46 32.04 2dku n ARG 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2dku n SER 98 N -2.51 -3.92 0.00 6.15 7.64 -1.20 -4.81 113.62 114.97 2dku n SER 98 Ca -0.01 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2dku n SER 98 Cb 0.03 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2dku n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dku n GLY 99 N 2.47 0.56 2.71 0.23 0.00 -1.26 -4.41 105.19 105.49 2dku n GLY 99 Ca 0.03 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 2dku n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dku n PRO 100 N 0.00 -2.67 -4.19 1.61 -0.04 -1.26 -5.07 135.00 123.37 2dku n PRO 100 Ca 0.00 -1.35 -0.23 0.00 -0.04 0.00 0.00 63.50 61.87 2dku n PRO 100 Cb 0.00 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 2dku n PRO 100 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dku s SER 101 N -3.78 5.04 0.07 3.54 0.01 -1.26 -5.14 113.70 112.19 2dku s SER 101 Ca 0.55 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 57.16 2dku s SER 101 Cb -0.05 -1.14 0.06 0.00 0.21 0.00 0.00 66.02 65.10 2dku s SER 101 CO 0.42 0.01 0.57 -0.44 0.41 0.00 0.00 173.24 174.21 2dku s SER 102 N -3.58 -0.52 0.00 2.44 0.01 -1.26 -5.31 113.70 105.49 2dku s SER 102 Ca 0.31 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2dku s SER 102 Cb -0.08 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dku s SER 102 CO 0.22 -0.80 0.31 0.61 0.41 0.00 0.00 173.24 174.00