#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku h SER 2 N 0.00 0.11 -3.31 1.61 0.02 -2.06 -3.39 113.55 106.54 2dku h SER 2 Ca 0.00 -0.17 -0.70 0.00 -0.84 0.00 0.00 61.79 60.08 2dku h SER 2 Cb 0.00 -0.03 -0.19 0.00 0.14 0.00 0.00 62.40 62.32 2dku h SER 2 CO 0.00 0.25 -0.06 -0.55 -1.14 0.00 0.00 176.83 175.33 2dku s SER 3 N -5.47 6.21 0.00 3.07 0.15 -1.26 -4.98 113.70 111.42 2dku s SER 3 Ca -0.14 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.55 2dku s SER 3 Cb 0.06 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dku s SER 3 CO 0.68 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dku n GLY 4 N 5.17 -1.19 0.17 9.45 0.00 -1.26 -5.06 105.19 112.46 2dku n GLY 4 Ca -0.08 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 2dku n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dku n SER 5 N 0.12 1.92 -4.54 1.61 7.64 -1.26 -4.98 113.62 114.14 2dku n SER 5 Ca 0.00 0.19 -0.58 0.00 1.01 0.00 0.00 58.87 59.48 2dku n SER 5 Cb 0.00 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.46 2dku n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dku n SER 6 N -3.90 0.46 0.00 6.43 2.88 -1.26 -4.86 113.62 113.38 2dku n SER 6 Ca -0.49 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2dku n SER 6 Cb 0.90 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2dku n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dku n GLY 7 N 1.97 2.65 3.65 0.46 0.00 -1.26 -4.95 105.19 107.71 2dku n GLY 7 Ca 0.21 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.00 3.66 0.41 4.61 0.00 -1.26 -5.04 121.76 123.14 2dku s ALA 8 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2dku s ALA 8 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2dku s ALA 8 CO 0.00 -1.01 0.80 -0.80 0.00 0.00 0.00 175.76 174.75 2dku s ASN 9 N 1.29 6.58 0.31 0.00 -0.87 -1.26 -4.95 114.94 116.04 2dku s ASN 9 Ca 0.39 1.23 0.02 0.00 -1.57 0.00 0.00 52.86 52.94 2dku s ASN 9 Cb -0.15 -2.36 -0.02 0.00 -0.02 0.00 0.00 41.25 38.70 2dku s ASN 9 CO 0.07 -0.40 0.31 0.00 -2.57 0.00 0.00 177.10 174.52 2dku s PHE 11 N -3.49 3.29 0.24 0.00 0.40 -1.26 -1.41 117.98 115.76 2dku s PHE 11 Ca 0.37 -1.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.03 2dku s PHE 11 Cb 0.02 -2.31 0.27 0.00 0.51 0.00 0.00 43.02 41.51 2dku s PHE 11 CO 0.22 -0.79 1.57 1.79 0.70 0.00 0.00 175.22 178.71 2dku h THR 12 N 6.32 1.38 -3.03 0.64 1.35 -1.82 -3.40 112.91 114.34 2dku h THR 12 Ca -0.21 -1.93 -0.57 0.00 -0.55 0.00 0.00 66.41 63.15 2dku h THR 12 Cb 1.07 1.96 -0.40 0.00 -1.73 0.00 0.00 68.15 69.05 2dku h THR 12 CO 0.58 0.57 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.05 2dku s GLU 13 N -3.80 0.59 0.73 4.72 2.02 -1.25 -5.02 118.70 116.69 2dku s GLU 13 Ca -0.04 -0.98 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 2dku s GLU 13 Cb 0.12 -1.76 0.04 0.00 0.10 0.00 0.00 34.13 32.63 2dku s GLU 13 CO 0.80 -1.01 1.23 -1.21 0.02 0.00 0.00 175.26 175.09 2dku s GLU 14 N 1.68 2.10 1.25 1.61 2.02 -1.26 -2.41 118.70 123.68 2dku s GLU 14 Ca 0.10 1.85 -0.18 0.00 0.02 0.00 0.00 54.97 56.76 2dku s GLU 14 Cb -0.17 -1.82 0.27 0.00 0.10 0.00 0.00 34.13 32.51 2dku s GLU 14 CO -0.26 -1.89 0.63 1.28 0.02 0.00 0.00 175.26 175.04 2dku n LEU 15 N -2.66 -1.35 -3.91 1.80 4.77 -1.26 -4.89 117.00 109.50 2dku n LEU 15 Ca 0.14 -0.46 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 2dku n LEU 15 Cb 0.50 -1.01 -0.15 0.00 -2.33 0.00 0.00 43.42 40.43 2dku n LEU 15 CO 0.48 -3.73 -0.39 0.28 -1.33 0.00 0.00 177.39 172.70 2dku s THR 16 N -2.20 0.27 0.08 -5.08 -1.32 -1.26 -4.94 115.64 101.19 2dku s THR 16 Ca 0.59 -0.12 -0.34 0.00 -1.21 0.00 0.00 61.69 60.61 2dku s THR 16 Cb -0.15 -0.25 -0.13 0.00 -1.51 0.00 0.00 72.50 70.46 2dku s THR 16 CO 0.56 0.09 1.65 -0.46 -2.21 0.00 0.00 174.62 174.26 2dku n ASN 17 N 3.17 3.09 -4.58 8.08 0.23 -1.26 -4.73 115.26 119.26 2dku n ASN 17 Ca -0.15 1.05 -0.33 0.00 -0.53 0.00 0.00 54.58 54.62 2dku n ASN 17 Cb 0.57 -1.39 -0.11 0.00 -2.08 0.00 0.00 39.78 36.77 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 1.84 3.13 -0.23 -4.53 1.43 -0.73 -4.98 118.68 114.61 2dku s LEU 18 Ca 0.83 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2dku s LEU 18 Cb -0.71 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 43.86 2dku s LEU 18 CO 0.43 0.33 0.01 -1.10 0.23 0.00 0.00 176.35 176.25 2dku s GLN 19 N -1.02 1.06 0.08 1.70 -0.21 -1.26 -1.08 119.66 118.93 2dku s GLN 19 Ca 0.14 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.75 2dku s GLN 19 Cb -0.11 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 2dku s GLN 19 CO 0.03 -0.69 -0.06 0.08 -2.12 0.00 0.00 175.29 172.54 2dku s VAL 20 N 1.62 0.58 0.46 1.09 1.01 -0.05 -4.97 120.40 120.14 2dku s VAL 20 Ca -0.01 -1.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 2dku s VAL 20 Cb -0.18 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 2dku s VAL 20 CO -0.10 -0.87 0.99 -1.61 0.00 0.00 0.00 175.10 173.51 2dku s GLU 21 N -3.71 4.02 0.76 2.72 8.01 -1.26 -0.10 118.70 129.14 2dku s GLU 21 Ca 0.09 1.21 -0.16 0.00 0.01 0.00 0.00 54.97 56.12 2dku s GLU 21 Cb 0.05 -2.14 -0.02 0.00 -4.31 0.00 0.00 34.13 27.71 2dku s GLU 21 CO -0.06 -0.23 0.53 -0.85 0.01 0.00 0.00 175.26 174.67 2dku n GLU 22 N -0.87 0.21 -3.08 1.61 0.28 0.07 -2.69 120.64 116.18 2dku n GLU 22 Ca 0.08 0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.98 2dku n GLU 22 Cb 0.53 -1.85 0.04 0.00 1.43 0.00 0.00 31.44 31.59 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 -0.95 -5.20 0.00 3.44 4.76 -0.89 -4.70 118.16 114.62 2dku n LYS 23 Ca 0.10 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 2dku n LYS 23 Cb 0.50 -5.63 0.00 0.00 -1.84 0.00 0.00 35.03 28.06 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 -1.57 2.53 3.18 0.72 0.00 -1.09 -4.74 105.19 104.21 2dku n GLY 24 Ca -0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 4.10 -0.90 -0.18 2.61 2.01 -1.26 -2.86 115.64 119.17 2dku s THR 25 Ca 0.00 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2dku s THR 25 Cb 0.00 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2dku s THR 25 CO 0.00 -0.02 -0.08 0.00 -0.69 0.00 0.00 174.62 173.83 2dku s ALA 26 N 2.79 2.75 -0.35 7.40 0.00 0.44 -4.93 121.76 129.86 2dku s ALA 26 Ca 0.14 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2dku s ALA 26 Cb -0.14 -1.52 0.09 0.00 0.00 0.00 0.00 23.12 21.55 2dku s ALA 26 CO -0.19 -0.15 0.09 0.08 0.00 0.00 0.00 175.76 175.58 2dku s VAL 27 N 1.01 2.91 -0.72 0.00 1.01 -1.26 -0.48 120.40 122.87 2dku s VAL 27 Ca -0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 61.98 59.83 2dku s VAL 27 Cb -0.15 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2dku s VAL 27 CO -0.00 -0.45 1.70 -0.36 0.00 0.00 0.00 175.10 175.98 2dku s PHE 28 N 1.12 1.90 0.01 5.22 0.08 -0.85 -4.80 117.98 120.66 2dku s PHE 28 Ca 0.04 0.43 -0.19 0.00 0.12 0.00 0.00 56.93 57.33 2dku s PHE 28 Cb -0.21 -4.26 -0.06 0.00 -0.57 0.00 0.00 43.02 37.92 2dku s PHE 28 CO -0.04 -2.14 0.56 0.95 -0.10 0.00 0.00 175.22 174.45 2dku s THR 29 N 8.10 4.90 0.35 0.64 -4.23 -1.26 -2.25 115.64 121.89 2dku s THR 29 Ca 0.58 1.18 0.03 0.00 -1.18 0.00 0.00 61.69 62.30 2dku s THR 29 Cb -0.10 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 2dku s THR 29 CO 0.14 0.46 0.39 0.00 -0.54 0.00 0.00 174.62 175.07 2dku s LYS 31 N -3.13 0.72 0.01 0.00 2.20 -1.01 -2.30 119.74 116.23 2dku s LYS 31 Ca 0.36 -1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2dku s LYS 31 Cb 0.01 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2dku s LYS 31 CO 0.25 -0.18 0.05 0.95 -0.36 0.00 0.00 175.35 176.06 2dku s THR 32 N -3.92 0.10 0.25 3.43 -4.23 -1.10 -3.34 115.64 106.82 2dku s THR 32 Ca 0.08 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 2dku s THR 32 Cb 0.07 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.57 2dku s THR 32 CO -0.09 -0.44 1.61 -0.08 -0.54 0.00 0.00 174.62 175.08 2dku h GLU 33 N 4.49 0.39 -5.52 3.99 4.81 -1.57 -3.43 114.58 117.74 2dku h GLU 33 Ca -0.31 -0.21 -0.46 0.00 -0.13 0.00 0.00 59.36 58.25 2dku h GLU 33 Cb 1.20 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.36 2dku h GLU 33 CO 0.41 0.77 -0.80 -1.01 -0.73 0.00 0.00 179.01 177.65 2dku s HIS 34 N -4.09 1.35 -0.63 0.92 3.76 -1.26 -4.99 115.29 110.36 2dku s HIS 34 Ca -0.06 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.18 2dku s HIS 34 Cb 0.12 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 33.02 2dku s HIS 34 CO 0.80 0.08 1.87 -1.25 -0.85 0.00 0.00 174.74 175.39 2dku s PRO 35 N -1.54 2.62 1.00 8.40 0.04 -1.26 -4.86 135.00 139.39 2dku s PRO 35 Ca 0.01 0.56 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 2dku s PRO 35 Cb -0.09 -4.43 0.19 0.00 0.04 0.00 0.00 34.50 30.21 2dku s PRO 35 CO 0.02 -2.78 1.10 0.00 0.04 0.00 0.00 177.00 175.38 2dku s ALA 36 N 9.16 0.81 -0.08 8.56 0.00 -1.26 -4.97 121.76 133.98 2dku s ALA 36 Ca 0.67 0.29 0.18 0.00 0.00 0.00 0.00 51.96 53.10 2dku s ALA 36 Cb -0.12 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.38 2dku s ALA 36 CO 0.19 -3.09 0.29 0.00 0.00 0.00 0.00 175.76 173.15 2dku n ALA 37 N -4.44 2.30 -3.12 0.00 0.00 -1.26 -4.99 120.51 109.00 2dku n ALA 37 Ca 0.08 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2dku n ALA 37 Cb 0.53 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.99 0.04 -0.05 0.00 -1.32 -1.26 -5.16 115.64 104.90 2dku s THR 38 Ca -0.07 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 2dku s THR 38 Cb 0.10 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 2dku s THR 38 CO 0.75 -0.20 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.25 2dku s VAL 39 N -0.72 0.47 -0.32 5.08 1.01 -1.26 -4.40 120.40 120.26 2dku s VAL 39 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2dku s VAL 39 Cb -0.05 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.89 2dku s VAL 39 CO 0.01 0.23 0.06 -0.89 0.00 0.00 0.00 175.10 174.52 2dku s THR 40 N 1.25 1.60 0.62 3.92 2.01 -0.18 -5.00 115.64 119.86 2dku s THR 40 Ca -0.06 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 59.95 2dku s THR 40 Cb -0.14 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 2dku s THR 40 CO -0.02 -0.60 1.06 0.26 -0.69 0.00 0.00 174.62 174.63 2dku s TRP 41 N 1.25 3.00 -0.04 4.92 0.52 -1.26 -2.77 118.94 124.56 2dku s TRP 41 Ca 0.09 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.71 2dku s TRP 41 Cb -0.18 -2.98 0.03 0.00 -1.15 0.00 0.00 33.47 29.18 2dku s TRP 41 CO -0.16 -1.16 -0.00 0.50 0.02 0.00 0.00 176.95 176.15 2dku s ARG 42 N -4.29 0.42 -0.13 4.98 3.52 0.04 -0.89 118.95 122.59 2dku s ARG 42 Ca 0.62 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 2dku s ARG 42 Cb -0.16 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 2dku s ARG 42 CO 0.41 -0.16 -0.19 0.21 -0.81 0.00 0.00 175.30 174.76 2dku s LYS 43 N 1.22 3.15 -0.94 5.12 2.20 0.19 -0.57 119.74 130.12 2dku s LYS 43 Ca -0.07 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.64 2dku s LYS 43 Cb -0.13 -2.50 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2dku s LYS 43 CO -0.02 0.07 0.65 0.41 -0.36 0.00 0.00 175.35 176.10 2dku n GLY 44 N 3.87 -1.17 4.19 5.54 0.00 -1.16 -0.54 105.19 115.91 2dku n GLY 44 Ca -0.19 0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.24 -1.75 -3.88 0.99 4.32 -1.26 -4.94 117.00 107.24 2dku n LEU 45 Ca -0.22 -0.98 -0.11 0.00 -0.02 0.00 0.00 56.01 54.68 2dku n LEU 45 Cb 0.64 -2.12 -0.13 0.00 -1.62 0.00 0.00 43.42 40.19 2dku n LEU 45 CO 0.65 0.30 -0.32 -0.22 -1.22 0.00 0.00 177.39 176.58 2dku s LEU 46 N -7.25 1.92 -0.13 2.23 2.96 0.30 -5.13 118.68 113.57 2dku s LEU 46 Ca 0.74 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 2dku s LEU 46 Cb -0.40 0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 2dku s LEU 46 CO 0.91 -0.09 0.98 -0.70 -1.32 0.00 0.00 176.35 176.13 2dku s GLU 47 N -0.33 4.38 0.64 1.98 2.12 -1.26 0.54 118.70 126.76 2dku s GLU 47 Ca -0.04 1.31 -0.06 0.00 0.36 0.00 0.00 54.97 56.54 2dku s GLU 47 Cb -0.02 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.84 2dku s GLU 47 CO -0.00 -0.36 0.95 -0.51 -0.54 0.00 0.00 175.26 174.80 2dku s LEU 48 N 2.19 3.05 -0.09 2.70 1.43 -0.07 -4.88 118.68 123.01 2dku s LEU 48 Ca 0.46 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 2dku s LEU 48 Cb -0.17 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.72 2dku s LEU 48 CO 0.15 -1.30 0.30 0.00 0.23 0.00 0.00 176.35 175.73 2dku s ARG 49 N -5.11 0.42 -0.53 1.70 3.03 -1.26 -4.67 118.95 112.53 2dku s ARG 49 Ca 0.57 0.27 -0.28 0.00 2.03 0.00 0.00 55.73 58.31 2dku s ARG 49 Cb -0.11 0.20 -0.10 0.00 -1.03 0.00 0.00 34.95 33.91 2dku s ARG 49 CO 0.45 -0.07 2.42 0.00 -1.13 0.00 0.00 175.30 176.97 2dku n ALA 50 N 2.53 0.85 -2.97 7.88 0.00 -1.24 -4.43 120.51 123.14 2dku n ALA 50 Ca -0.15 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 2dku n ALA 50 Cb 0.57 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.04 2dku n ALA 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dku s SER 51 N 10.60 -0.07 0.36 0.00 1.04 0.21 -4.96 113.70 120.88 2dku s SER 51 Ca 1.07 -0.77 0.26 0.00 0.48 0.00 0.00 55.95 56.98 2dku s SER 51 Cb -0.48 0.50 1.22 0.00 0.10 0.00 0.00 66.02 67.36 2dku s SER 51 CO 0.34 -0.98 1.29 0.61 0.98 0.00 0.00 173.24 175.48 2dku n GLY 52 N -0.28 -0.68 0.02 7.32 0.00 -1.26 -1.27 105.19 109.04 2dku n GLY 52 Ca -0.07 0.63 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.03 -4.06 1.61 1.63 -1.91 -3.43 116.57 110.38 2dku h LYS 53 Ca 0.72 0.00 -0.76 0.00 -0.85 0.00 0.00 60.65 59.77 2dku h LYS 53 Cb 2.28 0.01 -0.26 0.00 -0.60 0.00 0.00 32.23 33.66 2dku h LYS 53 CO -0.42 -0.02 -0.20 -1.01 -3.45 0.00 0.00 179.45 174.35 2dku s HIS 54 N -1.56 3.39 -0.68 1.91 3.76 -0.39 -3.54 115.29 118.17 2dku s HIS 54 Ca -0.01 -1.60 -0.03 0.00 -0.15 0.00 0.00 55.06 53.28 2dku s HIS 54 Cb 0.00 -3.72 0.17 0.00 1.11 0.00 0.00 32.58 30.14 2dku s HIS 54 CO 0.02 -1.00 0.51 -1.14 -0.85 0.00 0.00 174.74 172.28 2dku s GLN 55 N 1.21 2.73 1.09 1.40 2.00 -1.06 -0.61 119.66 126.42 2dku s GLN 55 Ca 0.07 -2.69 -0.15 0.00 -2.00 0.00 0.00 55.36 50.58 2dku s GLN 55 Cb -0.25 -3.79 0.23 0.00 0.80 0.00 0.00 33.01 30.01 2dku s GLN 55 CO -0.00 -1.20 1.10 -1.25 -0.50 0.00 0.00 175.29 173.44 2dku s PRO 56 N -0.34 -0.33 0.35 1.67 0.04 -1.26 -3.31 135.00 131.80 2dku s PRO 56 Ca 0.19 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 2dku s PRO 56 Cb -0.17 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2dku s PRO 56 CO -0.05 -3.19 0.64 -1.54 0.04 0.00 0.00 177.00 172.90 2dku s SER 57 N -3.63 0.29 -0.02 6.66 1.04 -0.76 -4.94 113.70 112.35 2dku s SER 57 Ca 0.68 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.90 2dku s SER 57 Cb -0.15 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.72 2dku s SER 57 CO 0.57 -1.46 0.04 -1.58 0.98 0.00 0.00 173.24 171.79 2dku s GLN 58 N -2.91 0.03 0.30 4.02 0.74 -1.26 -3.93 119.66 116.65 2dku s GLN 58 Ca 0.21 0.09 -0.09 0.00 0.05 0.00 0.00 55.36 55.62 2dku s GLN 58 Cb -0.03 -0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.06 2dku s GLN 58 CO 0.14 -0.04 0.52 -1.21 -0.55 0.00 0.00 175.29 174.15 2dku s GLU 59 N 0.23 1.79 -0.95 1.67 0.41 -0.19 -5.02 118.70 116.64 2dku s GLU 59 Ca -0.02 -1.48 -0.32 0.00 -0.41 0.00 0.00 54.97 52.74 2dku s GLU 59 Cb -0.03 0.48 -0.22 0.00 -1.78 0.00 0.00 34.13 32.59 2dku s GLU 59 CO -0.01 -0.76 2.63 0.41 -0.49 0.00 0.00 175.26 177.05 2dku n GLY 60 N -0.47 -0.46 2.51 -1.39 0.00 -1.26 -0.34 105.19 103.79 2dku n GLY 60 Ca -0.02 1.15 -0.03 0.00 0.00 0.00 0.00 46.02 47.12 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 10.16 -0.06 -3.69 0.99 4.77 -1.26 -4.84 117.00 123.07 2dku n LEU 61 Ca 0.65 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.73 2dku n LEU 61 Cb 0.02 -0.97 -0.18 0.00 -2.33 0.00 0.00 43.42 39.97 2dku n LEU 61 CO 0.93 0.01 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.76 2dku s THR 62 N -1.95 0.03 0.26 -5.08 2.01 0.54 -2.72 115.64 108.74 2dku s THR 62 Ca 0.06 0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.37 2dku s THR 62 Cb -0.04 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2dku s THR 62 CO 0.08 0.10 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.29 2dku s LEU 63 N 2.10 3.03 -0.04 4.42 1.43 -0.97 -1.02 118.68 127.63 2dku s LEU 63 Ca 0.04 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 2dku s LEU 63 Cb -0.13 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2dku s LEU 63 CO -0.05 0.02 0.83 0.00 0.23 0.00 0.00 176.35 177.38 2dku s ARG 64 N -3.57 0.87 -0.20 1.70 1.70 -1.25 -0.72 118.95 117.48 2dku s ARG 64 Ca 0.31 -0.05 -0.02 0.00 -0.47 0.00 0.00 55.73 55.50 2dku s ARG 64 Cb -0.06 0.41 0.06 0.00 -0.57 0.00 0.00 34.95 34.78 2dku s ARG 64 CO 0.18 -0.33 0.01 -1.17 -1.08 0.00 0.00 175.30 172.92 2dku s LEU 65 N -1.77 1.56 0.03 -1.89 2.96 -0.95 -1.83 118.68 116.78 2dku s LEU 65 Ca -0.02 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.70 2dku s LEU 65 Cb -0.01 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 2dku s LEU 65 CO -0.02 -0.28 1.00 -0.89 -1.32 0.00 0.00 176.35 174.84 2dku s THR 66 N 1.73 4.71 -0.16 3.68 2.01 -1.21 -2.01 115.64 124.40 2dku s THR 66 Ca -0.02 2.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.97 2dku s THR 66 Cb -0.17 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.09 2dku s THR 66 CO -0.07 0.19 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 2dku s ILE 67 N 0.81 1.08 0.43 1.82 1.01 0.37 -2.55 121.20 124.17 2dku s ILE 67 Ca 0.52 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.68 2dku s ILE 67 Cb -0.22 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2dku s ILE 67 CO 0.29 0.17 0.32 -0.55 0.00 0.00 0.00 174.94 175.16 2dku s SER 68 N 1.65 4.80 -1.37 3.58 0.15 -1.23 -0.42 113.70 120.85 2dku s SER 68 Ca 0.01 -0.91 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 2dku s SER 68 Cb -0.15 -0.42 0.03 0.00 -1.71 0.00 0.00 66.02 63.77 2dku s SER 68 CO -0.08 -0.67 1.01 0.00 1.20 0.00 0.00 173.24 174.70 2dku n ALA 69 N -1.48 -1.55 -0.37 5.45 0.00 -1.13 -4.91 120.51 116.52 2dku n ALA 69 Ca 0.01 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 2dku n ALA 69 Cb 0.63 -4.07 0.25 0.00 0.00 0.00 0.00 19.45 16.27 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 -4.64 -0.98 -3.61 0.00 4.77 -1.26 -4.69 117.00 106.60 2dku n LEU 70 Ca -0.09 -0.59 -0.05 0.00 -0.03 0.00 0.00 56.01 55.25 2dku n LEU 70 Cb 0.59 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2dku n LEU 70 CO 0.68 -4.00 1.00 -1.83 -1.33 0.00 0.00 177.39 171.91 2dku s GLU 71 N -4.48 0.29 0.28 3.23 -1.05 -1.26 -2.09 118.70 113.62 2dku s GLU 71 Ca 0.60 -0.00 0.04 0.00 -0.15 0.00 0.00 54.97 55.45 2dku s GLU 71 Cb -0.13 0.14 0.74 0.00 -0.44 0.00 0.00 34.13 34.43 2dku s GLU 71 CO 0.54 -0.11 1.40 1.63 0.95 0.00 0.00 175.26 179.68 2dku n LYS 72 N 0.34 -0.07 0.27 -4.83 5.02 -1.26 0.23 118.16 117.86 2dku n LYS 72 Ca -0.03 1.33 -0.16 0.00 -2.02 0.00 0.00 58.31 57.43 2dku n LYS 72 Cb 0.58 -2.14 -0.08 0.00 -0.02 0.00 0.00 35.03 33.37 2dku n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dku h ALA 73 N 1.79 -0.65 -0.90 7.82 0.00 -1.95 -2.74 119.26 122.63 2dku h ALA 73 Ca 0.57 -0.15 0.37 0.00 0.00 0.00 0.00 54.91 55.69 2dku h ALA 73 Cb 1.21 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 19.10 2dku h ALA 73 CO -0.82 -0.85 0.49 -0.25 0.00 0.00 0.00 179.25 177.82 2dku n ASP 74 N -5.36 0.30 -4.49 0.00 8.00 0.14 -4.25 116.55 110.89 2dku n ASP 74 Ca -0.12 1.44 -0.46 0.00 0.71 0.00 0.00 54.79 56.36 2dku n ASP 74 Cb 0.28 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.61 2dku n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dku n SER 75 N -4.94 2.04 -2.67 -2.24 3.41 -1.03 -4.82 113.62 103.36 2dku n SER 75 Ca 0.33 0.16 -0.03 0.00 -0.26 0.00 0.00 58.87 59.08 2dku n SER 75 Cb 1.14 -1.31 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dku n ASP 76 N 11.41 -1.39 -4.62 4.04 -0.08 -1.24 -4.96 116.55 119.71 2dku n ASP 76 Ca 0.43 -1.78 -0.41 0.00 -1.51 0.00 0.00 54.79 51.52 2dku n ASP 76 Cb 0.29 2.26 -0.07 0.00 2.34 0.00 0.00 41.12 45.95 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dku s THR 77 N -2.21 4.99 0.13 5.18 2.01 -1.26 -2.52 115.64 121.96 2dku s THR 77 Ca 0.16 1.00 0.03 0.00 0.31 0.00 0.00 61.69 63.19 2dku s THR 77 Cb -0.02 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2dku s THR 77 CO 0.05 -0.01 0.22 -0.31 -0.69 0.00 0.00 174.62 173.88 2dku s TYR 78 N 2.49 3.39 -0.11 4.92 1.51 -0.25 -3.01 117.35 126.30 2dku s TYR 78 Ca 0.25 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 2dku s TYR 78 Cb -0.15 -1.65 0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2dku s TYR 78 CO 0.10 0.53 -0.00 0.99 -1.11 0.00 0.00 175.55 176.05 2dku s THR 79 N -1.67 0.51 -0.45 -0.71 2.01 0.27 -1.86 115.64 113.74 2dku s THR 79 Ca 0.33 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 2dku s THR 79 Cb -0.11 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.69 2dku s THR 79 CO 0.27 0.16 0.58 0.00 -0.69 0.00 0.00 174.62 174.93 2dku s ASP 81 N 2.07 6.17 -0.00 0.00 2.15 -1.11 -1.18 116.67 124.76 2dku s ASP 81 Ca 0.18 0.40 0.03 0.00 0.43 0.00 0.00 52.55 53.59 2dku s ASP 81 Cb -0.16 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.46 2dku s ASP 81 CO 0.16 0.39 0.06 2.30 -0.17 0.00 0.00 175.17 177.92 2dku n ILE 82 N 1.94 0.01 0.00 4.11 -5.35 -0.98 -1.01 119.36 118.08 2dku n ILE 82 Ca -0.19 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2dku n ILE 82 Cb 0.55 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 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 2.34 3.74 0.06 3.28 0.00 -1.26 -4.35 105.19 109.00 2dku n GLY 83 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 1.33 -4.29 1.61 -0.06 -1.26 -5.06 117.38 109.65 2dku n GLN 84 Ca 0.00 0.04 -0.15 0.00 -2.00 0.00 0.00 57.00 54.88 2dku n GLN 84 Cb 0.00 -1.27 -0.10 0.00 -4.06 0.00 0.00 30.24 24.81 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 -2.26 1.58 -0.06 1.69 0.00 -1.26 -4.92 121.76 116.54 2dku s ALA 85 Ca -0.12 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 49.98 2dku s ALA 85 Cb 0.04 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2dku s ALA 85 CO 0.37 -0.46 0.18 -0.65 0.00 0.00 0.00 175.76 175.20 2dku s GLN 86 N -4.03 0.26 0.55 0.00 1.11 -1.26 -2.32 119.66 113.97 2dku s GLN 86 Ca 0.36 0.14 0.08 0.00 0.01 0.00 0.00 55.36 55.95 2dku s GLN 86 Cb 0.07 0.12 0.06 0.00 -1.01 0.00 0.00 33.01 32.26 2dku s GLN 86 CO 0.12 -0.04 0.63 0.45 0.01 0.00 0.00 175.29 176.46 2dku s SER 87 N -0.16 4.95 -0.12 5.90 0.15 -0.33 -4.91 113.70 119.19 2dku s SER 87 Ca -0.03 -0.97 -0.11 0.00 0.70 0.00 0.00 55.95 55.54 2dku s SER 87 Cb -0.02 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 2dku s SER 87 CO 0.01 -1.21 0.32 -0.13 1.20 0.00 0.00 173.24 173.43 2dku s ARG 88 N -4.50 0.39 -0.10 5.44 0.52 -1.26 -2.72 118.95 116.73 2dku s ARG 88 Ca 0.51 0.41 -0.17 0.00 -0.52 0.00 0.00 55.73 55.96 2dku s ARG 88 Cb -0.05 0.19 0.04 0.00 0.52 0.00 0.00 34.95 35.66 2dku s ARG 88 CO 0.32 -0.05 0.43 0.00 0.02 0.00 0.00 175.30 176.02 2dku s ALA 89 N 0.09 -1.08 -0.16 2.13 0.00 -0.78 -4.44 121.76 117.52 2dku s ALA 89 Ca -0.01 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 2dku s ALA 89 Cb -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2dku s ALA 89 CO 0.01 -0.25 0.00 -0.65 0.00 0.00 0.00 175.76 174.87 2dku s GLN 90 N -0.49 3.76 0.13 0.00 -0.21 -1.26 -1.09 119.66 120.49 2dku s GLN 90 Ca -0.06 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 54.93 2dku s GLN 90 Cb -0.03 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 2dku s GLN 90 CO 0.03 0.28 0.04 -1.17 -2.12 0.00 0.00 175.29 172.36 2dku s LEU 91 N 0.29 3.56 -0.09 2.90 2.96 -1.05 -1.77 118.68 125.48 2dku s LEU 91 Ca -0.01 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2dku s LEU 91 Cb -0.13 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2dku s LEU 91 CO 0.02 0.13 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.89 2dku s LEU 92 N -2.68 1.15 -0.85 -0.68 2.96 -0.24 -3.73 118.68 114.62 2dku s LEU 92 Ca 0.28 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 2dku s LEU 92 Cb -0.11 -0.70 0.22 0.00 0.50 0.00 0.00 46.19 46.10 2dku s LEU 92 CO 0.20 -0.10 0.78 -0.69 -1.32 0.00 0.00 176.35 175.22 2dku s VAL 93 N 1.49 5.42 -0.15 1.68 1.01 -1.23 -0.87 120.40 127.76 2dku s VAL 93 Ca -0.00 -2.72 -0.29 0.00 0.00 0.00 0.00 61.98 58.97 2dku s VAL 93 Cb -0.13 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2dku s VAL 93 CO -0.05 -1.04 1.90 -1.10 0.00 0.00 0.00 175.10 174.82 2dku s GLN 94 N -0.13 3.69 -0.84 2.72 -0.21 0.86 -4.43 119.66 121.32 2dku s GLN 94 Ca 0.20 2.05 -0.22 0.00 0.02 0.00 0.00 55.36 57.41 2dku s GLN 94 Cb -0.11 -4.18 -0.18 0.00 1.00 0.00 0.00 33.01 29.54 2dku s GLN 94 CO -0.08 -1.45 2.21 0.41 -2.12 0.00 0.00 175.29 174.26 2dku n GLY 95 N 4.96 -0.27 0.02 3.09 0.00 -1.26 -0.75 105.19 110.98 2dku n GLY 95 Ca 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 2dku n GLY 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dku n ARG 96 N 7.90 -0.02 -3.73 1.61 0.63 -1.26 -4.75 116.66 117.04 2dku n ARG 96 Ca 0.45 0.79 -0.10 0.00 -0.92 0.00 0.00 57.85 58.08 2dku n ARG 96 Cb 0.41 -1.19 -0.06 0.00 0.45 0.00 0.00 32.46 32.07 2dku n ARG 96 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2dku s ARG 97 N -3.17 1.00 -0.25 -0.14 3.52 -1.26 -5.08 118.95 113.58 2dku s ARG 97 Ca -0.01 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.79 2dku s ARG 97 Cb 0.01 0.42 0.06 0.00 -1.56 0.00 0.00 34.95 33.87 2dku s ARG 97 CO 0.03 -0.37 -0.11 -1.54 -0.81 0.00 0.00 175.30 172.51 2dku s SER 98 N -2.84 4.19 0.00 -2.12 1.04 -1.26 -4.91 113.70 107.80 2dku s SER 98 Ca 0.05 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2dku s SER 98 Cb 0.03 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2dku s SER 98 CO -0.11 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2dku n GLY 99 N 4.50 0.74 0.22 7.32 0.00 -1.26 -5.02 105.19 111.70 2dku n GLY 99 Ca -0.14 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.00 -6.32 1.61 0.13 -2.07 -3.45 132.00 121.89 2dku h PRO 100 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2dku h PRO 100 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2dku h PRO 100 CO 0.00 0.00 0.16 -1.13 -0.23 0.00 0.00 178.00 176.80 2dku n SER 101 N -2.72 1.06 -4.08 1.44 3.41 -1.26 -4.98 113.62 106.49 2dku n SER 101 Ca 0.01 1.15 -0.24 0.00 -0.26 0.00 0.00 58.87 59.53 2dku n SER 101 Cb 0.26 -1.20 -0.16 0.00 -0.26 0.00 0.00 64.21 62.86 2dku n SER 101 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dku s SER 102 N -0.21 1.82 0.00 4.04 0.01 -1.26 -5.22 113.70 112.87 2dku s SER 102 Ca 0.70 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2dku s SER 102 Cb -0.84 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2dku s SER 102 CO 0.54 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.92