#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 0.83 -4.53 1.61 3.41 -1.26 -4.97 113.62 108.71 2dku n SER 2 Ca 0.00 0.11 -0.39 0.00 -0.26 0.00 0.00 58.87 58.33 2dku n SER 2 Cb 0.00 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 2dku n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dku n SER 3 N -3.40 1.85 -3.07 4.04 2.88 -1.26 -4.81 113.62 109.85 2dku n SER 3 Ca -0.02 -0.24 -0.00 0.00 -1.33 0.00 0.00 58.87 57.28 2dku n SER 3 Cb 0.19 -1.40 -0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2dku n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dku s GLY 4 N 10.91 -1.30 0.00 0.46 0.00 -1.26 -5.04 107.32 111.09 2dku s GLY 4 Ca 1.08 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 45.71 2dku s GLY 4 CO 0.34 3.72 1.04 1.48 0.00 0.00 0.00 173.10 179.68 2dku h SER 5 N 6.40 -0.74 -3.51 1.64 4.64 -2.05 -3.43 113.55 116.49 2dku h SER 5 Ca 0.05 0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 2dku h SER 5 Cb 1.17 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 2dku h SER 5 CO 0.06 -0.35 0.17 -0.44 -0.87 0.00 0.00 176.83 175.41 2dku s SER 6 N -4.56 7.38 0.00 4.97 0.01 -1.26 -5.03 113.70 115.21 2dku s SER 6 Ca -0.13 1.63 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2dku s SER 6 Cb 0.01 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2dku s SER 6 CO 0.40 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2dku n GLY 7 N 1.59 2.15 3.26 3.44 0.00 -1.26 -5.17 105.19 109.20 2dku n GLY 7 Ca -0.06 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.75 0.61 4.61 0.00 -1.26 -5.14 121.76 122.33 2dku s ALA 8 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 2dku s ALA 8 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2dku s ALA 8 CO 0.00 0.38 1.00 -0.80 0.00 0.00 0.00 175.76 176.34 2dku s ASN 9 N -1.37 6.04 0.07 0.00 -0.87 -1.26 -5.02 114.94 112.53 2dku s ASN 9 Ca 0.07 1.24 -0.23 0.00 -1.57 0.00 0.00 52.86 52.37 2dku s ASN 9 Cb -0.09 -2.28 0.06 0.00 -0.02 0.00 0.00 41.25 38.92 2dku s ASN 9 CO 0.02 -0.93 0.55 0.00 -2.57 0.00 0.00 177.10 174.17 2dku s PHE 11 N -2.78 3.05 0.34 0.00 0.40 -1.26 -1.30 117.98 116.44 2dku s PHE 11 Ca -0.03 -0.25 0.13 0.00 -0.60 0.00 0.00 56.93 56.18 2dku s PHE 11 Cb -0.00 -3.40 0.70 0.00 0.51 0.00 0.00 43.02 40.82 2dku s PHE 11 CO -0.04 -0.93 1.80 1.79 0.70 0.00 0.00 175.22 178.53 2dku h THR 12 N 5.86 1.23 -3.00 0.64 1.35 -1.82 -3.39 112.91 113.79 2dku h THR 12 Ca -0.26 -1.38 -0.57 0.00 -0.55 0.00 0.00 66.41 63.65 2dku h THR 12 Cb 1.10 1.76 -0.40 0.00 -1.73 0.00 0.00 68.15 68.87 2dku h THR 12 CO 0.92 0.39 -0.77 -1.61 -0.25 0.00 0.00 175.52 174.20 2dku s GLU 13 N -4.06 0.57 0.70 4.72 2.02 -1.25 -5.01 118.70 116.39 2dku s GLU 13 Ca -0.02 -0.97 -0.17 0.00 0.02 0.00 0.00 54.97 53.84 2dku s GLU 13 Cb 0.14 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.68 2dku s GLU 13 CO 0.72 -1.02 1.21 0.39 0.02 0.00 0.00 175.26 176.59 2dku n GLU 14 N 4.86 0.78 -0.45 1.61 1.02 -1.26 -2.69 120.64 124.52 2dku n GLU 14 Ca -0.02 0.33 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 2dku n GLU 14 Cb 0.41 -2.45 0.26 0.00 -0.02 0.00 0.00 31.44 29.64 2dku n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2dku n LEU 15 N -2.18 -1.74 -4.17 -4.62 4.77 -1.26 -4.91 117.00 102.89 2dku n LEU 15 Ca 0.15 -0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 55.60 2dku n LEU 15 Cb 0.49 -1.15 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 2dku n LEU 15 CO 0.48 -3.56 -0.48 0.28 -1.33 0.00 0.00 177.39 172.79 2dku s THR 16 N -2.31 1.22 0.01 -5.08 -1.32 -1.26 -4.93 115.64 101.98 2dku s THR 16 Ca 0.66 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.76 2dku s THR 16 Cb -0.21 -1.11 -0.09 0.00 -1.51 0.00 0.00 72.50 69.58 2dku s THR 16 CO 0.64 0.01 1.99 0.59 -2.21 0.00 0.00 174.62 175.64 2dku n ASN 17 N 1.80 4.06 -4.90 8.08 4.13 -1.26 -4.66 115.26 122.51 2dku n ASN 17 Ca -0.18 0.85 -0.32 0.00 1.68 0.00 0.00 54.58 56.61 2dku n ASN 17 Cb 0.54 -1.52 -0.05 0.00 -1.54 0.00 0.00 39.78 37.22 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dku s LEU 18 N 4.76 4.32 -0.11 3.41 1.43 0.13 -4.97 118.68 127.64 2dku s LEU 18 Ca 0.90 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2dku s LEU 18 Cb -0.44 -3.07 0.06 0.00 0.03 0.00 0.00 46.19 42.76 2dku s LEU 18 CO 0.42 0.13 0.23 -1.10 0.23 0.00 0.00 176.35 176.26 2dku s GLN 19 N -2.40 0.11 0.26 1.70 -0.21 -1.26 -1.75 119.66 116.10 2dku s GLN 19 Ca 0.36 0.68 -0.18 0.00 0.02 0.00 0.00 55.36 56.24 2dku s GLN 19 Cb -0.13 -0.12 0.01 0.00 1.00 0.00 0.00 33.01 33.78 2dku s GLN 19 CO 0.23 -0.29 0.62 0.08 -2.12 0.00 0.00 175.29 173.81 2dku s VAL 20 N 2.32 0.00 0.34 1.09 1.01 -0.26 -4.96 120.40 119.94 2dku s VAL 20 Ca 0.01 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 2dku s VAL 20 Cb -0.12 -2.05 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2dku s VAL 20 CO -0.08 -0.01 0.74 -1.61 0.00 0.00 0.00 175.10 174.15 2dku s GLU 21 N -3.95 3.95 0.89 2.72 0.41 -1.26 0.03 118.70 121.49 2dku s GLU 21 Ca 0.15 0.62 -0.13 0.00 -0.41 0.00 0.00 54.97 55.20 2dku s GLU 21 Cb -0.04 -2.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.91 2dku s GLU 21 CO 0.07 0.12 0.48 -0.85 -0.49 0.00 0.00 175.26 174.59 2dku n GLU 22 N -0.55 -0.14 -2.11 1.61 0.28 0.76 -2.39 120.64 118.10 2dku n GLU 22 Ca 0.03 0.01 -0.20 0.00 -0.16 0.00 0.00 57.16 56.83 2dku n GLU 22 Cb 0.53 -1.88 -0.04 0.00 1.43 0.00 0.00 31.44 31.48 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 -1.59 -1.62 0.00 3.44 4.76 0.08 -4.75 118.16 118.48 2dku n LYS 23 Ca 0.08 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.59 2dku n LYS 23 Cb 0.53 -5.63 0.00 0.00 -1.84 0.00 0.00 35.03 28.08 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 -0.78 1.02 3.62 0.72 0.00 -1.00 -4.64 105.19 104.13 2dku n GLY 24 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 3.88 -0.78 -0.16 2.61 2.01 -1.26 -2.97 115.64 118.97 2dku s THR 25 Ca 0.00 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 2dku s THR 25 Cb 0.00 -0.97 0.04 0.00 0.01 0.00 0.00 72.50 71.57 2dku s THR 25 CO 0.00 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 173.87 2dku s ALA 26 N 2.63 1.53 -0.27 7.40 0.00 0.89 -4.95 121.76 129.00 2dku s ALA 26 Ca -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2dku s ALA 26 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.94 2dku s ALA 26 CO -0.19 -0.69 -0.01 0.54 0.00 0.00 0.00 175.76 175.41 2dku s VAL 27 N 1.61 3.25 -0.52 0.00 0.11 -1.26 -0.98 120.40 122.61 2dku s VAL 27 Ca 0.02 -0.93 -0.28 0.00 -2.93 0.00 0.00 61.98 57.85 2dku s VAL 27 Cb -0.15 -2.67 0.03 0.00 -1.53 0.00 0.00 36.38 32.06 2dku s VAL 27 CO -0.08 0.14 1.15 -0.36 -3.33 0.00 0.00 175.10 172.63 2dku s PHE 28 N 1.38 2.73 -0.13 1.54 0.08 -0.96 -4.82 117.98 117.79 2dku s PHE 28 Ca 0.01 0.57 -0.14 0.00 0.12 0.00 0.00 56.93 57.48 2dku s PHE 28 Cb -0.17 -4.46 -0.05 0.00 -0.57 0.00 0.00 43.02 37.78 2dku s PHE 28 CO -0.02 -1.40 0.32 0.95 -0.10 0.00 0.00 175.22 174.97 2dku s THR 29 N 4.64 5.27 0.33 0.64 -4.23 -1.26 -2.08 115.64 118.94 2dku s THR 29 Ca 0.45 0.61 0.07 0.00 -1.18 0.00 0.00 61.69 61.64 2dku s THR 29 Cb -0.07 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 2dku s THR 29 CO 0.29 0.42 0.27 0.00 -0.54 0.00 0.00 174.62 175.05 2dku s LYS 31 N -3.48 0.71 -0.01 0.00 2.20 -1.09 -2.33 119.74 115.74 2dku s LYS 31 Ca 0.40 -1.00 -0.08 0.00 -0.36 0.00 0.00 55.97 54.93 2dku s LYS 31 Cb 0.03 0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2dku s LYS 31 CO 0.27 -0.19 0.17 0.95 -0.36 0.00 0.00 175.35 176.19 2dku s THR 32 N -3.61 0.07 0.22 3.43 -4.23 -1.07 -2.88 115.64 107.57 2dku s THR 32 Ca 0.04 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2dku s THR 32 Cb 0.05 -0.44 0.18 0.00 1.34 0.00 0.00 72.50 73.63 2dku s THR 32 CO -0.09 -0.32 1.86 -0.08 -0.54 0.00 0.00 174.62 175.44 2dku h GLU 33 N 4.38 1.15 -6.84 3.99 4.57 -1.52 -3.44 114.58 116.88 2dku h GLU 33 Ca -0.30 -0.12 -0.69 0.00 -1.18 0.00 0.00 59.36 57.08 2dku h GLU 33 Cb 1.19 -0.23 -0.21 0.00 -0.16 0.00 0.00 28.75 29.33 2dku h GLU 33 CO 0.40 0.82 -0.85 -1.01 -1.18 0.00 0.00 179.01 177.20 2dku s HIS 34 N -5.92 2.38 -0.86 0.92 3.76 -1.26 -5.01 115.29 109.31 2dku s HIS 34 Ca -0.13 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.19 2dku s HIS 34 Cb 0.16 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 2dku s HIS 34 CO 0.81 0.34 1.94 -1.25 -0.85 0.00 0.00 174.74 175.72 2dku s PRO 35 N -2.02 2.56 -0.00 8.40 0.04 -1.26 -4.90 135.00 137.82 2dku s PRO 35 Ca 0.15 -0.15 -0.34 0.00 0.04 0.00 0.00 61.00 60.70 2dku s PRO 35 Cb -0.10 -4.96 -0.12 0.00 0.04 0.00 0.00 34.50 29.36 2dku s PRO 35 CO 0.07 -3.28 1.78 0.00 0.04 0.00 0.00 177.00 175.61 2dku n ALA 36 N 13.81 1.05 0.31 8.56 0.00 -1.26 -4.84 120.51 138.14 2dku n ALA 36 Ca 0.37 0.34 0.16 0.00 0.00 0.00 0.00 53.44 54.31 2dku n ALA 36 Cb 0.48 -2.45 0.62 0.00 0.00 0.00 0.00 19.45 18.09 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 8.12 1.00 -2.48 0.00 0.00 -1.91 -3.45 119.26 120.54 2dku h ALA 37 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2dku h ALA 37 Cb 1.27 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2dku h ALA 37 CO 0.93 0.00 -0.47 -0.08 0.00 0.00 0.00 179.25 179.63 2dku s THR 38 N -3.56 0.15 -0.22 0.00 -1.32 -1.26 -5.16 115.64 104.26 2dku s THR 38 Ca 0.02 -1.25 -0.10 0.00 -1.21 0.00 0.00 61.69 59.15 2dku s THR 38 Cb 0.09 -1.22 0.08 0.00 -1.51 0.00 0.00 72.50 69.94 2dku s THR 38 CO 0.52 -0.69 0.51 -0.69 -2.21 0.00 0.00 174.62 172.06 2dku s VAL 39 N -3.42 -0.32 -0.34 5.08 1.01 -1.26 -4.60 120.40 116.54 2dku s VAL 39 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2dku s VAL 39 Cb 0.03 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.74 2dku s VAL 39 CO -0.08 0.03 0.07 -0.89 0.00 0.00 0.00 175.10 174.22 2dku s THR 40 N 1.99 2.06 0.44 3.92 2.01 -0.06 -5.00 115.64 121.00 2dku s THR 40 Ca -0.07 -2.23 -0.23 0.00 0.31 0.00 0.00 61.69 59.47 2dku s THR 40 Cb -0.09 -2.52 -0.08 0.00 0.01 0.00 0.00 72.50 69.82 2dku s THR 40 CO -0.15 -0.62 1.13 0.26 -0.69 0.00 0.00 174.62 174.54 2dku s TRP 41 N 0.97 2.99 0.09 4.92 0.52 -1.26 -2.86 118.94 124.31 2dku s TRP 41 Ca 0.11 1.57 0.06 0.00 0.02 0.00 0.00 56.10 57.86 2dku s TRP 41 Cb -0.19 -3.30 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 2dku s TRP 41 CO -0.10 -1.24 -0.15 0.50 0.02 0.00 0.00 176.95 175.98 2dku s ARG 42 N -2.65 0.92 -0.12 4.98 3.52 0.21 -1.42 118.95 124.38 2dku s ARG 42 Ca 0.62 -1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.12 2dku s ARG 42 Cb -0.26 -0.95 0.06 0.00 -1.56 0.00 0.00 34.95 32.24 2dku s ARG 42 CO 0.32 0.21 0.27 0.21 -0.81 0.00 0.00 175.30 175.50 2dku s LYS 43 N -1.96 0.18 -1.39 5.12 2.20 0.88 -0.06 119.74 124.70 2dku s LYS 43 Ca 0.02 0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2dku s LYS 43 Cb -0.09 -0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2dku s LYS 43 CO 0.03 -0.24 0.40 0.41 -0.36 0.00 0.00 175.35 175.59 2dku n GLY 44 N 4.95 -0.29 2.97 5.54 0.00 -1.17 -0.18 105.19 117.01 2dku n GLY 44 Ca -0.13 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.43 -2.64 -3.96 0.99 4.77 -1.26 -4.99 117.00 105.48 2dku n LEU 45 Ca -0.29 -0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 55.23 2dku n LEU 45 Cb 0.68 -3.00 -0.16 0.00 -2.33 0.00 0.00 43.42 38.62 2dku n LEU 45 CO 0.76 0.20 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.37 2dku s LEU 46 N -6.65 1.68 -0.07 2.23 2.96 0.75 -5.13 118.68 114.45 2dku s LEU 46 Ca 0.28 -0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 2dku s LEU 46 Cb -0.12 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 2dku s LEU 46 CO 0.35 0.03 0.95 -0.70 -1.32 0.00 0.00 176.35 175.66 2dku s GLU 47 N 0.37 4.46 0.27 1.98 2.12 -1.26 -0.08 118.70 126.56 2dku s GLU 47 Ca -0.05 1.32 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 2dku s GLU 47 Cb -0.09 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 2dku s GLU 47 CO 0.00 -0.19 0.57 -0.51 -0.54 0.00 0.00 175.26 174.59 2dku s LEU 48 N 1.58 4.09 0.01 2.70 1.43 -0.50 -4.95 118.68 123.02 2dku s LEU 48 Ca 0.48 0.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 2dku s LEU 48 Cb -0.19 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 2dku s LEU 48 CO 0.21 -0.16 -0.16 0.00 0.23 0.00 0.00 176.35 176.47 2dku s ARG 49 N -3.22 1.23 -0.52 1.70 1.70 -1.26 -4.61 118.95 113.97 2dku s ARG 49 Ca 0.46 -0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 54.78 2dku s ARG 49 Cb -0.11 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 32.96 2dku s ARG 49 CO 0.26 0.33 2.42 0.00 -1.08 0.00 0.00 175.30 177.22 2dku n ALA 50 N 2.39 0.86 -3.79 7.88 0.00 -1.24 -4.38 120.51 122.22 2dku n ALA 50 Ca -0.16 -0.71 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 2dku n ALA 50 Cb 0.54 -3.00 -0.01 0.00 0.00 0.00 0.00 19.45 16.98 2dku n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dku n SER 51 N 14.27 -1.36 -0.33 0.00 7.64 0.19 -4.94 113.62 129.08 2dku n SER 51 Ca 0.41 -2.49 0.19 0.00 1.01 0.00 0.00 58.87 57.99 2dku n SER 51 Cb 0.44 2.43 0.45 0.00 -1.01 0.00 0.00 64.21 66.52 2dku n SER 51 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dku h GLY 52 N 1.63 1.45 0.39 0.23 0.00 -1.98 -2.46 103.07 102.32 2dku h GLY 52 Ca -0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2dku h GLY 52 CO 0.32 -0.14 -0.19 1.70 0.00 0.00 0.00 176.54 178.24 2dku h LYS 53 N 0.51 -0.50 -4.24 4.80 1.63 -1.90 -3.41 116.57 113.45 2dku h LYS 53 Ca 0.59 0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.75 2dku h LYS 53 Cb 1.30 0.11 -0.37 0.00 -0.60 0.00 0.00 32.23 32.68 2dku h LYS 53 CO -0.34 -0.33 -0.56 -1.01 -3.45 0.00 0.00 179.45 173.75 2dku s HIS 54 N -3.24 3.55 -0.72 1.91 3.76 -0.96 -3.33 115.29 116.26 2dku s HIS 54 Ca -0.08 -2.69 -0.05 0.00 -0.15 0.00 0.00 55.06 52.10 2dku s HIS 54 Cb 0.01 -3.11 0.19 0.00 1.11 0.00 0.00 32.58 30.77 2dku s HIS 54 CO 0.23 -0.92 0.58 -1.14 -0.85 0.00 0.00 174.74 172.64 2dku s GLN 55 N 0.70 2.93 1.17 1.40 -0.44 -1.04 -0.64 119.66 123.74 2dku s GLN 55 Ca 0.11 -2.67 -0.18 0.00 -2.50 0.00 0.00 55.36 50.12 2dku s GLN 55 Cb -0.22 -3.92 0.27 0.00 -1.64 0.00 0.00 33.01 27.50 2dku s GLN 55 CO -0.04 -1.21 1.11 -1.25 0.50 0.00 0.00 175.29 174.39 2dku s PRO 56 N -0.28 -0.99 0.20 1.67 0.04 -1.26 -3.28 135.00 131.10 2dku s PRO 56 Ca 0.19 0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.18 2dku s PRO 56 Cb -0.16 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dku s PRO 56 CO -0.06 -3.57 0.37 0.45 0.04 0.00 0.00 177.00 174.22 2dku n SER 57 N -4.68 -1.06 -3.68 6.66 2.88 -0.67 -4.93 113.62 108.14 2dku n SER 57 Ca 0.12 -1.87 -0.10 0.00 -1.33 0.00 0.00 58.87 55.69 2dku n SER 57 Cb 0.59 1.81 -0.11 0.00 -0.75 0.00 0.00 64.21 65.75 2dku n SER 57 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dku s GLN 58 N -2.14 0.34 0.34 -1.46 2.00 -1.26 -4.11 119.66 113.36 2dku s GLN 58 Ca 0.10 0.87 0.04 0.00 -2.00 0.00 0.00 55.36 54.37 2dku s GLN 58 Cb -0.02 0.11 -0.04 0.00 0.80 0.00 0.00 33.01 33.86 2dku s GLN 58 CO 0.07 -0.21 0.15 -1.21 -0.50 0.00 0.00 175.29 173.59 2dku s GLU 59 N 1.96 1.72 -0.93 1.67 0.41 0.14 -5.01 118.70 118.66 2dku s GLU 59 Ca -0.06 -2.00 -0.20 0.00 -0.41 0.00 0.00 54.97 52.30 2dku s GLU 59 Cb -0.10 -0.31 -0.25 0.00 -1.78 0.00 0.00 34.13 31.68 2dku s GLU 59 CO -0.12 -0.44 2.39 0.41 -0.49 0.00 0.00 175.26 177.01 2dku n GLY 60 N -0.70 -0.39 2.30 -1.39 0.00 -1.26 -0.43 105.19 103.32 2dku n GLY 60 Ca -0.01 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 9.78 -0.97 -3.68 0.99 4.77 -1.26 -4.91 117.00 121.72 2dku n LEU 61 Ca 0.62 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.64 2dku n LEU 61 Cb 0.18 -1.96 -0.18 0.00 -2.33 0.00 0.00 43.42 39.13 2dku n LEU 61 CO 0.94 -0.23 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.55 2dku s THR 62 N -2.40 -0.12 0.25 -5.08 2.01 0.43 -2.61 115.64 108.12 2dku s THR 62 Ca 0.00 0.41 0.10 0.00 0.31 0.00 0.00 61.69 62.50 2dku s THR 62 Cb 0.00 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 2dku s THR 62 CO 0.00 0.17 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.29 2dku s LEU 63 N 2.10 3.08 0.02 4.42 1.43 -0.98 0.24 118.68 128.99 2dku s LEU 63 Ca 0.04 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2dku s LEU 63 Cb -0.12 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.52 2dku s LEU 63 CO -0.03 0.03 0.59 0.00 0.23 0.00 0.00 176.35 177.17 2dku s ARG 64 N -3.45 1.07 -0.31 1.70 1.70 -1.26 -1.08 118.95 117.33 2dku s ARG 64 Ca 0.30 -0.06 -0.01 0.00 -0.47 0.00 0.00 55.73 55.49 2dku s ARG 64 Cb -0.07 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 34.91 2dku s ARG 64 CO 0.18 -0.38 0.11 -1.17 -1.08 0.00 0.00 175.30 172.96 2dku s LEU 65 N -1.75 2.07 0.01 -1.89 2.96 -0.88 -1.67 118.68 117.53 2dku s LEU 65 Ca -0.07 -1.65 -0.30 0.00 -0.22 0.00 0.00 54.13 51.89 2dku s LEU 65 Cb -0.01 -0.81 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 2dku s LEU 65 CO 0.02 -0.41 1.21 -0.89 -1.32 0.00 0.00 176.35 174.96 2dku s THR 66 N 1.61 4.11 -0.16 3.68 2.01 -1.20 -2.28 115.64 123.42 2dku s THR 66 Ca 0.10 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.59 2dku s THR 66 Cb -0.17 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.41 2dku s THR 66 CO -0.25 0.06 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.99 2dku s ILE 67 N 1.64 1.47 0.50 1.82 1.01 -0.15 -2.52 121.20 124.98 2dku s ILE 67 Ca 0.58 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.62 2dku s ILE 67 Cb -0.28 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.76 2dku s ILE 67 CO 0.26 0.36 0.32 -0.44 0.00 0.00 0.00 174.94 175.44 2dku s SER 68 N 1.51 4.59 -1.52 3.58 0.01 -1.21 -0.07 113.70 120.58 2dku s SER 68 Ca 0.03 -1.21 -0.13 0.00 1.31 0.00 0.00 55.95 55.95 2dku s SER 68 Cb -0.14 0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.34 2dku s SER 68 CO -0.10 -0.93 0.98 0.00 0.41 0.00 0.00 173.24 173.60 2dku n ALA 69 N -1.60 -1.26 -0.56 1.44 0.00 -1.16 -4.87 120.51 112.50 2dku n ALA 69 Ca -0.03 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2dku n ALA 69 Cb 0.64 -4.51 0.21 0.00 0.00 0.00 0.00 19.45 15.80 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 -4.67 -2.07 -3.70 0.00 4.77 -1.26 -4.60 117.00 105.47 2dku n LEU 70 Ca 0.04 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 2dku n LEU 70 Cb 0.53 -1.05 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2dku n LEU 70 CO 0.74 -3.27 0.63 -1.83 -1.33 0.00 0.00 177.39 172.32 2dku s GLU 71 N -3.86 1.26 0.58 3.23 -1.05 -1.26 -0.74 118.70 116.85 2dku s GLU 71 Ca 0.60 -0.65 0.30 0.00 -0.15 0.00 0.00 54.97 55.08 2dku s GLU 71 Cb -0.16 0.46 1.42 0.00 -0.44 0.00 0.00 34.13 35.41 2dku s GLU 71 CO 0.64 -0.57 1.81 0.87 0.95 0.00 0.00 175.26 178.96 2dku h LYS 72 N 2.00 0.00 -0.01 -4.83 1.79 -1.93 0.41 116.57 114.01 2dku h LYS 72 Ca -0.24 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2dku h LYS 72 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2dku h LYS 72 CO 0.27 0.00 -0.21 0.00 -1.08 0.00 0.00 179.45 178.43 2dku h ALA 73 N 1.35 0.03 -1.37 3.86 0.00 -1.95 -3.25 119.26 117.93 2dku h ALA 73 Ca 0.33 -0.45 0.47 0.00 0.00 0.00 0.00 54.91 55.26 2dku h ALA 73 Cb 1.62 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 2dku h ALA 73 CO -0.00 0.05 0.89 -0.25 0.00 0.00 0.00 179.25 179.94 2dku n ASP 74 N -4.54 0.19 -4.54 0.00 9.92 0.13 -4.14 116.55 113.57 2dku n ASP 74 Ca -0.10 1.30 -0.29 0.00 -0.53 0.00 0.00 54.79 55.18 2dku n ASP 74 Cb 0.48 -0.64 -0.08 0.00 -0.64 0.00 0.00 41.12 40.24 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dku n SER 75 N -4.57 1.53 -3.00 -2.24 7.64 -1.22 -4.79 113.62 106.97 2dku n SER 75 Ca 0.39 -0.69 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 2dku n SER 75 Cb 1.54 -1.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.35 2dku n SER 75 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dku s ASP 76 N 10.32 0.03 -0.29 6.43 2.15 -1.25 -5.00 116.67 129.06 2dku s ASP 76 Ca 1.05 -1.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.79 2dku s ASP 76 Cb -0.38 0.75 -0.01 0.00 -0.30 0.00 0.00 42.92 42.97 2dku s ASP 76 CO 0.27 -1.49 0.62 -0.89 -0.17 0.00 0.00 175.17 173.51 2dku s THR 77 N -2.13 4.96 0.19 1.71 2.01 -1.26 -3.43 115.64 117.69 2dku s THR 77 Ca 0.18 0.94 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 2dku s THR 77 Cb -0.04 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2dku s THR 77 CO 0.10 -0.08 0.41 -0.31 -0.69 0.00 0.00 174.62 174.05 2dku s TYR 78 N 2.56 3.48 -0.13 4.92 1.51 -0.93 -3.05 117.35 125.71 2dku s TYR 78 Ca 0.25 0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 56.76 2dku s TYR 78 Cb -0.15 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 2dku s TYR 78 CO 0.11 0.37 0.07 0.99 -1.11 0.00 0.00 175.55 175.97 2dku s THR 79 N -1.82 -0.02 -0.46 -0.71 2.01 0.92 -2.63 115.64 112.93 2dku s THR 79 Ca 0.41 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 2dku s THR 79 Cb -0.11 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.96 2dku s THR 79 CO 0.27 -0.11 0.54 0.00 -0.69 0.00 0.00 174.62 174.64 2dku s ASP 81 N 2.24 6.03 -0.02 0.00 2.15 -1.13 -1.78 116.67 124.15 2dku s ASP 81 Ca 0.14 0.34 0.06 0.00 0.43 0.00 0.00 52.55 53.53 2dku s ASP 81 Cb -0.18 -1.87 -0.10 0.00 -0.30 0.00 0.00 42.92 40.47 2dku s ASP 81 CO 0.13 0.37 0.11 2.30 -0.17 0.00 0.00 175.17 177.91 2dku n ILE 82 N 1.81 0.11 0.00 4.11 -5.35 -0.99 -0.88 119.36 118.17 2dku n ILE 82 Ca -0.18 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2dku n ILE 82 Cb 0.54 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 2.26 1.67 0.01 3.28 0.00 -1.26 -4.62 105.19 106.54 2dku n GLY 83 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 1.74 -4.33 1.61 3.00 -1.26 -5.09 117.38 113.06 2dku n GLN 84 Ca 0.00 0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.83 2dku n GLN 84 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 30.24 29.08 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dku s ALA 85 N -2.06 1.77 -0.12 -1.58 0.00 -1.26 -4.94 121.76 113.58 2dku s ALA 85 Ca -0.03 -1.87 -0.13 0.00 0.00 0.00 0.00 51.96 49.94 2dku s ALA 85 Cb 0.01 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.20 2dku s ALA 85 CO 0.08 -0.45 0.36 -0.65 0.00 0.00 0.00 175.76 175.09 2dku s GLN 86 N -4.02 0.45 0.55 0.00 1.11 -1.26 -2.35 119.66 114.14 2dku s GLN 86 Ca 0.38 0.44 0.08 0.00 0.01 0.00 0.00 55.36 56.27 2dku s GLN 86 Cb 0.08 0.22 0.06 0.00 -1.01 0.00 0.00 33.01 32.36 2dku s GLN 86 CO 0.14 -0.06 0.67 0.45 0.01 0.00 0.00 175.29 176.49 2dku s SER 87 N 0.04 5.03 -0.15 5.90 0.15 -0.74 -4.91 113.70 119.03 2dku s SER 87 Ca -0.01 -0.90 -0.15 0.00 0.70 0.00 0.00 55.95 55.59 2dku s SER 87 Cb -0.03 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.53 2dku s SER 87 CO 0.01 -1.21 0.42 -0.13 1.20 0.00 0.00 173.24 173.53 2dku s ARG 88 N -4.53 0.51 -0.04 5.44 0.52 -1.26 -2.84 118.95 116.75 2dku s ARG 88 Ca 0.54 0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 56.14 2dku s ARG 88 Cb -0.05 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.70 2dku s ARG 88 CO 0.34 -0.07 0.35 0.00 0.02 0.00 0.00 175.30 175.94 2dku s ALA 89 N 0.14 -0.89 -0.12 2.13 0.00 -1.08 -4.55 121.76 117.40 2dku s ALA 89 Ca -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.41 2dku s ALA 89 Cb -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2dku s ALA 89 CO 0.01 -0.26 0.11 -0.65 0.00 0.00 0.00 175.76 174.97 2dku s GLN 90 N -1.09 3.42 0.05 0.00 -1.52 -1.26 -2.20 119.66 117.06 2dku s GLN 90 Ca -0.11 -0.21 0.08 0.00 -1.95 0.00 0.00 55.36 53.17 2dku s GLN 90 Cb -0.04 -3.12 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 2dku s GLN 90 CO 0.04 0.70 -0.23 -1.17 -0.25 0.00 0.00 175.29 174.38 2dku s LEU 91 N -0.83 2.17 -0.10 2.90 2.96 -1.22 -0.69 118.68 123.87 2dku s LEU 91 Ca 0.13 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2dku s LEU 91 Cb -0.12 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.48 2dku s LEU 91 CO 0.03 0.20 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.84 2dku s LEU 92 N -1.23 1.93 -0.82 -0.68 2.96 -0.72 -3.91 118.68 116.21 2dku s LEU 92 Ca 0.09 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2dku s LEU 92 Cb -0.09 -1.24 0.21 0.00 0.50 0.00 0.00 46.19 45.57 2dku s LEU 92 CO 0.02 0.09 0.72 -0.69 -1.32 0.00 0.00 176.35 175.16 2dku s VAL 93 N 0.64 4.78 0.81 1.68 1.01 -1.23 -1.10 120.40 126.98 2dku s VAL 93 Ca -0.13 -3.09 -0.13 0.00 0.00 0.00 0.00 61.98 58.63 2dku s VAL 93 Cb -0.16 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.31 2dku s VAL 93 CO 0.04 -1.02 1.10 0.00 0.00 0.00 0.00 175.10 175.22 2dku n GLN 94 N 3.25 0.15 -2.84 2.72 1.13 0.10 -4.43 117.38 117.47 2dku n GLN 94 Ca 0.15 0.12 -0.43 0.00 -1.94 0.00 0.00 57.00 54.91 2dku n GLN 94 Cb 0.41 -2.35 -0.04 0.00 0.11 0.00 0.00 30.24 28.36 2dku n GLN 94 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dku s GLY 95 N -2.07 1.53 0.71 1.08 0.00 -1.26 -0.17 107.32 107.13 2dku s GLY 95 Ca 0.72 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 2dku s GLY 95 CO 0.52 1.99 0.17 -2.13 0.00 0.00 0.00 173.10 173.65 2dku n ARG 96 N 6.95 0.18 -1.03 2.90 0.63 -1.26 -4.55 116.66 120.47 2dku n ARG 96 Ca 0.06 0.08 -0.37 0.00 -0.92 0.00 0.00 57.85 56.71 2dku n ARG 96 Cb 0.48 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.87 2dku n ARG 96 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2dku n ARG 97 N 0.31 0.00 -2.62 -0.14 3.00 -1.26 -2.57 116.66 113.38 2dku n ARG 97 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.86 2dku n ARG 97 Cb 0.50 -0.81 0.04 0.00 0.00 0.00 0.00 32.46 32.18 2dku n ARG 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dku n SER 98 N 1.36 -2.20 0.00 6.15 2.88 -1.26 -4.99 113.62 115.56 2dku n SER 98 Ca 0.13 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 2dku n SER 98 Cb 0.15 -2.38 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 2dku n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dku n GLY 99 N -1.06 0.07 3.74 0.46 0.00 -1.06 -5.09 105.19 102.25 2dku n GLY 99 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2dku n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dku s PRO 100 N -0.10 4.41 -0.77 1.61 0.04 -1.26 -4.94 135.00 133.98 2dku s PRO 100 Ca 0.00 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2dku s PRO 100 Cb 0.00 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2dku s PRO 100 CO 0.00 -0.21 1.68 -1.12 0.04 0.00 0.00 177.00 177.39 2dku s SER 101 N 0.15 5.64 0.30 6.66 0.01 -1.26 -4.90 113.70 120.31 2dku s SER 101 Ca 0.55 -0.37 -0.12 0.00 1.31 0.00 0.00 55.95 57.32 2dku s SER 101 Cb -0.36 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.33 2dku s SER 101 CO 0.40 -2.20 0.57 -0.94 0.41 0.00 0.00 173.24 171.48 2dku s SER 102 N 6.55 0.15 0.00 2.44 1.04 -1.26 -5.28 113.70 117.34 2dku s SER 102 Ca 0.57 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2dku s SER 102 Cb -0.08 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2dku s SER 102 CO 0.10 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.61