#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku s SER 2 N 0.00 4.77 0.97 1.61 1.04 -1.26 -5.11 113.70 115.72 2dku s SER 2 Ca 0.00 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 2dku s SER 2 Cb 0.00 -1.48 0.17 0.00 0.10 0.00 0.00 66.02 64.81 2dku s SER 2 CO 0.00 0.28 1.10 -0.44 0.98 0.00 0.00 173.24 175.16 2dku s SER 3 N -0.30 2.90 0.00 7.02 0.01 -1.26 -4.46 113.70 117.61 2dku s SER 3 Ca 0.05 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2dku s SER 3 Cb -0.13 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dku s SER 3 CO 0.02 -2.96 0.00 0.61 0.41 0.00 0.00 173.24 171.32 2dku n GLY 4 N -1.21 0.89 4.40 3.44 0.00 -1.26 -4.64 105.19 106.81 2dku n GLY 4 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2dku n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dku n SER 5 N 0.00 -1.02 -4.88 1.61 3.41 -1.26 -4.90 113.62 106.58 2dku n SER 5 Ca 0.00 -1.22 -0.32 0.00 -0.26 0.00 0.00 58.87 57.07 2dku n SER 5 Cb 0.00 -1.81 -0.05 0.00 -0.26 0.00 0.00 64.21 62.08 2dku n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dku s SER 6 N -3.69 6.60 -0.31 4.04 0.01 -1.26 -5.08 113.70 114.01 2dku s SER 6 Ca 0.51 0.80 0.02 0.00 1.31 0.00 0.00 55.95 58.59 2dku s SER 6 Cb -0.29 -2.18 0.09 0.00 0.21 0.00 0.00 66.02 63.85 2dku s SER 6 CO 1.00 0.02 0.04 -0.83 0.41 0.00 0.00 173.24 173.87 2dku s GLY 7 N -2.26 1.58 0.03 3.44 0.00 -1.26 -5.03 107.32 103.82 2dku s GLY 7 Ca 0.43 -2.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 2dku s GLY 7 CO 0.22 1.11 0.03 0.00 0.00 0.00 0.00 173.10 174.46 2dku s ALA 8 N 1.19 0.09 0.69 3.20 0.00 -1.26 -5.16 121.76 120.51 2dku s ALA 8 Ca 0.07 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2dku s ALA 8 Cb -0.19 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2dku s ALA 8 CO -0.12 -0.27 1.08 -0.80 0.00 0.00 0.00 175.76 175.65 2dku s ASN 9 N -2.03 5.60 0.14 0.00 -0.87 -1.26 -5.02 114.94 111.50 2dku s ASN 9 Ca -0.07 1.21 -0.19 0.00 -1.57 0.00 0.00 52.86 52.25 2dku s ASN 9 Cb -0.03 -2.07 0.05 0.00 -0.02 0.00 0.00 41.25 39.18 2dku s ASN 9 CO -0.04 -1.25 0.49 0.00 -2.57 0.00 0.00 177.10 173.73 2dku s PHE 11 N -3.79 3.15 0.29 0.00 0.40 -1.26 -0.26 117.98 116.51 2dku s PHE 11 Ca 0.02 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.05 2dku s PHE 11 Cb 0.00 -3.03 0.44 0.00 0.51 0.00 0.00 43.02 40.95 2dku s PHE 11 CO -0.12 -0.76 1.67 1.79 0.70 0.00 0.00 175.22 178.50 2dku h THR 12 N 5.76 1.36 -3.00 0.64 1.35 -1.84 -3.40 112.91 113.79 2dku h THR 12 Ca -0.26 -1.75 -0.56 0.00 -0.55 0.00 0.00 66.41 63.28 2dku h THR 12 Cb 1.11 1.90 -0.40 0.00 -1.73 0.00 0.00 68.15 69.03 2dku h THR 12 CO 0.83 0.51 -0.77 -1.61 -0.25 0.00 0.00 175.52 174.23 2dku s GLU 13 N -3.90 0.54 1.07 4.72 2.02 -1.25 -5.03 118.70 116.86 2dku s GLU 13 Ca -0.03 -0.92 -0.12 0.00 0.02 0.00 0.00 54.97 53.92 2dku s GLU 13 Cb 0.13 -1.68 0.22 0.00 0.10 0.00 0.00 34.13 32.90 2dku s GLU 13 CO 0.76 -1.01 1.01 0.39 0.02 0.00 0.00 175.26 176.43 2dku n GLU 14 N 4.92 -1.58 -1.12 1.61 -0.58 -1.26 -2.42 120.64 120.21 2dku n GLU 14 Ca -0.03 -0.42 -0.29 0.00 -0.42 0.00 0.00 57.16 56.01 2dku n GLU 14 Cb 0.42 -2.22 0.19 0.00 -0.57 0.00 0.00 31.44 29.26 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 -6.55 1.35 -0.05 -4.62 1.43 -1.26 -4.83 118.68 104.15 2dku s LEU 15 Ca 0.67 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 2dku s LEU 15 Cb -0.24 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.83 2dku s LEU 15 CO 0.62 -3.39 -0.04 0.28 0.23 0.00 0.00 176.35 174.05 2dku s THR 16 N -2.95 0.55 -0.15 5.49 -1.32 -1.26 -4.92 115.64 111.08 2dku s THR 16 Ca 0.66 -0.11 -0.40 0.00 -1.21 0.00 0.00 61.69 60.63 2dku s THR 16 Cb -0.18 -0.59 -0.18 0.00 -1.51 0.00 0.00 72.50 70.05 2dku s THR 16 CO 0.58 0.24 1.43 -0.46 -2.21 0.00 0.00 174.62 174.19 2dku n ASN 17 N 4.21 1.34 -4.73 8.08 0.23 -1.26 -4.86 115.26 118.27 2dku n ASN 17 Ca -0.22 1.13 -0.33 0.00 -0.53 0.00 0.00 54.58 54.64 2dku n ASN 17 Cb 0.51 -1.05 -0.08 0.00 -2.08 0.00 0.00 39.78 37.08 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 1.66 3.67 -0.17 -4.53 1.43 -1.05 -5.00 118.68 114.69 2dku s LEU 18 Ca 0.94 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2dku s LEU 18 Cb -1.17 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 42.96 2dku s LEU 18 CO 0.61 0.27 0.00 -1.58 0.23 0.00 0.00 176.35 175.89 2dku s GLN 19 N -1.67 0.90 0.01 1.70 0.74 -1.26 -0.34 119.66 119.73 2dku s GLN 19 Ca 0.21 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.22 2dku s GLN 19 Cb -0.12 -1.90 -0.01 0.00 1.10 0.00 0.00 33.01 32.09 2dku s GLN 19 CO 0.12 -0.52 0.04 0.08 -0.55 0.00 0.00 175.29 174.46 2dku s VAL 20 N 1.80 0.08 0.19 1.34 1.01 -0.62 -4.98 120.40 119.21 2dku s VAL 20 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2dku s VAL 20 Cb -0.16 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.86 2dku s VAL 20 CO -0.07 -0.36 1.36 -1.61 0.00 0.00 0.00 175.10 174.42 2dku s GLU 21 N -1.13 4.34 0.70 2.72 8.01 -1.26 -2.11 118.70 129.97 2dku s GLU 21 Ca -0.12 2.12 -0.15 0.00 0.01 0.00 0.00 54.97 56.82 2dku s GLU 21 Cb -0.07 -3.19 -0.13 0.00 -4.31 0.00 0.00 34.13 26.43 2dku s GLU 21 CO -0.00 -0.34 -0.46 -0.85 0.01 0.00 0.00 175.26 173.62 2dku n GLU 22 N 2.94 0.00 -2.26 1.61 0.28 -0.96 -2.09 120.64 120.16 2dku n GLU 22 Ca 0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.89 2dku n GLU 22 Cb 0.42 -0.88 -0.02 0.00 1.43 0.00 0.00 31.44 32.39 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 1.83 -1.49 0.00 3.44 4.76 -0.90 -4.75 118.16 121.05 2dku n LYS 23 Ca 0.02 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 2dku n LYS 23 Cb 0.46 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 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 -0.97 1.47 3.52 0.72 0.00 -0.89 -4.74 105.19 104.30 2dku n GLY 24 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 3.75 -0.00 -0.06 2.61 2.01 -1.26 -2.63 115.64 120.05 2dku s THR 25 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 2dku s THR 25 Cb 0.00 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.70 2dku s THR 25 CO 0.00 0.00 0.11 0.00 -0.69 0.00 0.00 174.62 174.04 2dku s ALA 26 N 0.43 0.04 -0.34 7.40 0.00 -0.53 -4.89 121.76 123.87 2dku s ALA 26 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 2dku s ALA 26 Cb -0.04 -0.72 0.07 0.00 0.00 0.00 0.00 23.12 22.43 2dku s ALA 26 CO -0.01 -0.53 0.07 0.54 0.00 0.00 0.00 175.76 175.83 2dku s VAL 27 N 2.23 3.05 -0.66 0.00 0.11 -1.26 0.58 120.40 124.45 2dku s VAL 27 Ca 0.04 -1.68 -0.26 0.00 -2.93 0.00 0.00 61.98 57.15 2dku s VAL 27 Cb -0.12 -2.90 -0.03 0.00 -1.53 0.00 0.00 36.38 31.80 2dku s VAL 27 CO -0.04 -0.34 1.88 -0.36 -3.33 0.00 0.00 175.10 172.91 2dku s PHE 28 N 1.19 1.68 -0.10 1.54 0.08 -0.77 -4.74 117.98 116.86 2dku s PHE 28 Ca 0.01 0.76 -0.23 0.00 0.12 0.00 0.00 56.93 57.59 2dku s PHE 28 Cb -0.21 -4.08 -0.03 0.00 -0.57 0.00 0.00 43.02 38.13 2dku s PHE 28 CO -0.03 -2.21 0.69 0.95 -0.10 0.00 0.00 175.22 174.52 2dku s THR 29 N 9.29 5.04 0.27 0.64 -4.23 -1.26 -2.38 115.64 123.00 2dku s THR 29 Ca 0.68 1.39 0.03 0.00 -1.18 0.00 0.00 61.69 62.61 2dku s THR 29 Cb -0.12 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2dku s THR 29 CO 0.17 0.22 0.20 0.00 -0.54 0.00 0.00 174.62 174.66 2dku s LYS 31 N -3.81 0.78 -0.00 0.00 2.20 -1.02 -2.05 119.74 115.84 2dku s LYS 31 Ca 0.39 -1.32 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 2dku s LYS 31 Cb 0.05 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2dku s LYS 31 CO 0.19 -0.13 0.13 0.95 -0.36 0.00 0.00 175.35 176.13 2dku s THR 32 N -3.87 0.07 0.26 3.43 -4.23 -1.04 -3.42 115.64 106.84 2dku s THR 32 Ca 0.14 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2dku s THR 32 Cb 0.07 -0.40 0.16 0.00 1.34 0.00 0.00 72.50 73.67 2dku s THR 32 CO -0.05 -0.33 1.82 -0.08 -0.54 0.00 0.00 174.62 175.43 2dku h GLU 33 N 4.50 0.97 -5.88 3.99 4.81 -0.96 -3.44 114.58 118.57 2dku h GLU 33 Ca -0.30 -0.18 -0.51 0.00 -0.13 0.00 0.00 59.36 58.24 2dku h GLU 33 Cb 1.19 -0.15 -0.20 0.00 0.63 0.00 0.00 28.75 30.23 2dku h GLU 33 CO 0.41 0.82 -0.79 -1.01 -0.73 0.00 0.00 179.01 177.70 2dku s HIS 34 N -5.36 1.69 -0.42 0.92 3.76 -1.26 -5.02 115.29 109.60 2dku s HIS 34 Ca -0.11 -0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 54.06 2dku s HIS 34 Cb 0.16 -0.88 -0.01 0.00 1.11 0.00 0.00 32.58 32.95 2dku s HIS 34 CO 0.81 0.23 1.75 -1.25 -0.85 0.00 0.00 174.74 175.43 2dku s PRO 35 N -2.38 3.19 0.15 8.40 0.04 -1.26 -4.93 135.00 138.20 2dku s PRO 35 Ca 0.10 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 2dku s PRO 35 Cb -0.07 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 2dku s PRO 35 CO 0.05 -2.04 1.22 0.00 0.04 0.00 0.00 177.00 176.27 2dku s ALA 36 N 7.21 3.45 0.10 8.56 0.00 -1.26 -4.94 121.76 134.88 2dku s ALA 36 Ca 0.73 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 2dku s ALA 36 Cb -0.18 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.32 2dku s ALA 36 CO 0.30 -0.42 1.23 0.00 0.00 0.00 0.00 175.76 176.87 2dku h ALA 37 N 5.81 0.23 -3.97 0.00 0.00 -1.93 -3.45 119.26 115.95 2dku h ALA 37 Ca -0.44 -0.77 -0.50 0.00 0.00 0.00 0.00 54.91 53.20 2dku h ALA 37 Cb 1.21 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.75 2dku h ALA 37 CO 0.78 0.85 -0.81 -0.08 0.00 0.00 0.00 179.25 179.98 2dku s THR 38 N -3.03 1.31 -0.04 0.00 -1.32 -1.26 -5.14 115.64 106.16 2dku s THR 38 Ca -0.06 -0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 59.44 2dku s THR 38 Cb 0.08 -1.15 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 2dku s THR 38 CO 0.88 0.15 0.01 -0.69 -2.21 0.00 0.00 174.62 172.76 2dku s VAL 39 N -0.72 0.18 -0.36 5.08 1.01 -1.26 -4.43 120.40 119.90 2dku s VAL 39 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2dku s VAL 39 Cb -0.08 -0.32 0.11 0.00 0.00 0.00 0.00 36.38 36.09 2dku s VAL 39 CO 0.01 0.19 0.10 -0.89 0.00 0.00 0.00 175.10 174.51 2dku s THR 40 N 1.53 1.92 0.85 3.92 2.01 -0.37 -5.00 115.64 120.49 2dku s THR 40 Ca -0.03 -2.27 -0.11 0.00 0.31 0.00 0.00 61.69 59.60 2dku s THR 40 Cb -0.13 -2.41 0.10 0.00 0.01 0.00 0.00 72.50 70.07 2dku s THR 40 CO -0.03 -0.67 1.09 0.26 -0.69 0.00 0.00 174.62 174.59 2dku s TRP 41 N 0.87 2.42 -0.06 4.92 0.52 -1.26 -2.89 118.94 123.47 2dku s TRP 41 Ca 0.12 1.37 -0.10 0.00 0.02 0.00 0.00 56.10 57.51 2dku s TRP 41 Cb -0.20 -3.12 0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2dku s TRP 41 CO -0.10 -2.15 0.26 0.50 0.02 0.00 0.00 176.95 175.47 2dku s ARG 42 N -4.92 0.45 -0.14 4.98 3.52 0.58 -1.98 118.95 121.44 2dku s ARG 42 Ca 0.62 0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 56.25 2dku s ARG 42 Cb -0.18 0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.48 2dku s ARG 42 CO 0.57 -0.09 0.18 0.21 -0.81 0.00 0.00 175.30 175.36 2dku s LYS 43 N -0.57 0.10 -1.08 5.12 2.20 0.83 -0.17 119.74 126.17 2dku s LYS 43 Ca -0.07 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2dku s LYS 43 Cb -0.04 -0.74 -0.01 0.00 -1.51 0.00 0.00 37.83 35.54 2dku s LYS 43 CO 0.02 -0.46 0.91 0.41 -0.36 0.00 0.00 175.35 175.86 2dku n GLY 44 N 5.32 -0.40 2.41 5.54 0.00 -1.13 -2.21 105.19 114.72 2dku n GLY 44 Ca -0.05 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.76 -1.67 -4.08 0.99 4.77 -1.26 -4.96 117.00 107.03 2dku n LEU 45 Ca -0.24 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 2dku n LEU 45 Cb 0.65 -2.71 -0.15 0.00 -2.33 0.00 0.00 43.42 38.87 2dku n LEU 45 CO 0.56 -0.33 -0.46 -0.22 -1.33 0.00 0.00 177.39 175.60 2dku s LEU 46 N -5.67 1.98 0.05 2.23 2.96 -0.94 -5.13 118.68 114.16 2dku s LEU 46 Ca 0.00 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 2dku s LEU 46 Cb 0.00 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2dku s LEU 46 CO 0.00 0.15 0.99 -0.70 -1.32 0.00 0.00 176.35 175.46 2dku s GLU 47 N -0.21 4.60 0.07 1.98 2.12 -1.26 -0.12 118.70 125.88 2dku s GLU 47 Ca 0.03 1.46 -0.05 0.00 0.36 0.00 0.00 54.97 56.77 2dku s GLU 47 Cb -0.06 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 2dku s GLU 47 CO -0.00 0.03 0.30 -0.51 -0.54 0.00 0.00 175.26 174.54 2dku s LEU 48 N 0.63 4.33 -0.02 2.70 1.43 -0.84 -4.91 118.68 122.00 2dku s LEU 48 Ca 0.51 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2dku s LEU 48 Cb -0.22 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 2dku s LEU 48 CO 0.29 0.16 -0.12 0.00 0.23 0.00 0.00 176.35 176.91 2dku s ARG 49 N -2.25 1.13 -0.74 1.70 1.70 -1.26 -4.48 118.95 114.75 2dku s ARG 49 Ca 0.34 -0.42 -0.35 0.00 -0.47 0.00 0.00 55.73 54.84 2dku s ARG 49 Cb -0.13 -1.05 -0.19 0.00 -0.57 0.00 0.00 34.95 33.01 2dku s ARG 49 CO 0.22 0.20 2.46 0.00 -1.08 0.00 0.00 175.30 177.09 2dku n ALA 50 N 3.07 0.38 -2.69 7.88 0.00 -1.25 -4.58 120.51 123.32 2dku n ALA 50 Ca -0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 2dku n ALA 50 Cb 0.55 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 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 8.14 0.01 0.39 0.00 0.01 0.80 -4.98 113.70 118.08 2dku s SER 51 Ca 1.26 -0.55 0.33 0.00 1.31 0.00 0.00 55.95 58.30 2dku s SER 51 Cb -1.22 0.38 1.24 0.00 0.21 0.00 0.00 66.02 66.63 2dku s SER 51 CO 0.53 -0.77 1.17 0.61 0.41 0.00 0.00 173.24 175.19 2dku n GLY 52 N -0.11 -0.70 0.03 3.44 0.00 -1.26 -0.43 105.19 106.16 2dku n GLY 52 Ca -0.15 0.53 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 -4.24 1.61 1.63 -1.91 -3.43 116.57 110.23 2dku h LYS 53 Ca 0.69 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.75 2dku h LYS 53 Cb 2.60 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 33.97 2dku h LYS 53 CO -0.12 0.00 -0.33 -1.01 -3.45 0.00 0.00 179.45 174.54 2dku s HIS 54 N -1.40 3.32 -0.54 1.91 3.76 0.43 -3.29 115.29 119.48 2dku s HIS 54 Ca -0.01 -1.45 -0.01 0.00 -0.15 0.00 0.00 55.06 53.44 2dku s HIS 54 Cb 0.00 -3.48 0.14 0.00 1.11 0.00 0.00 32.58 30.35 2dku s HIS 54 CO 0.01 -0.95 0.33 -0.65 -0.85 0.00 0.00 174.74 172.63 2dku s GLN 55 N 1.50 2.25 1.18 1.40 -1.52 -0.91 -0.14 119.66 123.43 2dku s GLN 55 Ca 0.04 -2.38 -0.18 0.00 -1.95 0.00 0.00 55.36 50.88 2dku s GLN 55 Cb -0.27 -3.57 0.27 0.00 -0.22 0.00 0.00 33.01 29.22 2dku s GLN 55 CO 0.02 -1.12 1.11 -1.25 -0.25 0.00 0.00 175.29 173.79 2dku s PRO 56 N 0.16 -1.03 0.21 2.91 0.04 -1.26 -2.75 135.00 133.27 2dku s PRO 56 Ca 0.15 0.01 -0.20 0.00 0.04 0.00 0.00 61.00 60.99 2dku s PRO 56 Cb -0.22 -1.61 0.04 0.00 0.04 0.00 0.00 34.50 32.75 2dku s PRO 56 CO -0.03 -3.60 0.60 -1.12 0.04 0.00 0.00 177.00 172.89 2dku s SER 57 N -3.83 -0.37 -0.07 6.66 0.01 -0.38 -4.91 113.70 110.82 2dku s SER 57 Ca 0.70 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2dku s SER 57 Cb -0.11 0.63 0.04 0.00 0.21 0.00 0.00 66.02 66.78 2dku s SER 57 CO 0.56 -1.10 0.06 -1.58 0.41 0.00 0.00 173.24 171.59 2dku s GLN 58 N -3.84 -0.01 -0.55 12.44 0.74 -1.26 -3.62 119.66 123.55 2dku s GLN 58 Ca 0.07 0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.80 2dku s GLN 58 Cb -0.02 -0.78 0.19 0.00 1.10 0.00 0.00 33.01 33.49 2dku s GLN 58 CO -0.04 -0.39 0.46 0.39 -0.55 0.00 0.00 175.29 175.16 2dku n GLU 59 N 5.29 1.13 0.00 1.67 -0.58 -0.40 -5.02 120.64 122.72 2dku n GLU 59 Ca -0.04 -3.85 0.00 0.00 -0.42 0.00 0.00 57.16 52.85 2dku n GLU 59 Cb 0.50 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 2dku n GLU 59 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dku n GLY 60 N 2.15 0.80 0.42 0.62 0.00 -1.26 -1.36 105.19 106.56 2dku n GLY 60 Ca 0.25 0.46 0.09 0.00 0.00 0.00 0.00 46.02 46.82 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 3.00 -3.90 0.99 4.77 -1.26 -4.33 117.00 116.27 2dku n LEU 61 Ca 0.00 -3.04 -0.28 0.00 -0.03 0.00 0.00 56.01 52.66 2dku n LEU 61 Cb 0.00 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.45 2dku n LEU 61 CO 0.00 0.69 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.43 2dku s THR 62 N -2.83 1.09 0.09 -5.08 2.01 -0.47 -2.49 115.64 107.97 2dku s THR 62 Ca 0.36 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.93 2dku s THR 62 Cb 0.30 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2dku s THR 62 CO 0.06 0.23 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.35 2dku s LEU 63 N 1.66 3.00 -0.00 4.42 1.43 -0.87 -1.27 118.68 127.05 2dku s LEU 63 Ca 0.03 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 2dku s LEU 63 Cb -0.14 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.31 2dku s LEU 63 CO -0.08 0.19 0.32 0.00 0.23 0.00 0.00 176.35 177.01 2dku s ARG 64 N -2.07 0.72 -0.30 1.70 1.70 -1.24 -0.52 118.95 118.93 2dku s ARG 64 Ca 0.20 -0.26 -0.01 0.00 -0.47 0.00 0.00 55.73 55.20 2dku s ARG 64 Cb -0.11 0.32 0.10 0.00 -0.57 0.00 0.00 34.95 34.68 2dku s ARG 64 CO 0.12 -0.21 0.09 -1.17 -1.08 0.00 0.00 175.30 173.05 2dku s LEU 65 N -1.51 2.23 0.12 -1.89 2.96 -1.00 -1.25 118.68 118.33 2dku s LEU 65 Ca -0.11 -1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 51.91 2dku s LEU 65 Cb -0.04 -0.87 -0.07 0.00 0.50 0.00 0.00 46.19 45.71 2dku s LEU 65 CO 0.03 -0.40 1.17 -0.89 -1.32 0.00 0.00 176.35 174.94 2dku s THR 66 N 1.61 3.88 -0.35 3.68 2.01 -1.11 -1.85 115.64 123.50 2dku s THR 66 Ca 0.09 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.56 2dku s THR 66 Cb -0.17 -3.93 0.11 0.00 0.01 0.00 0.00 72.50 68.51 2dku s THR 66 CO -0.23 0.18 0.14 -0.63 -0.69 0.00 0.00 174.62 173.38 2dku s ILE 67 N 0.46 1.22 0.59 1.82 1.01 0.20 -2.13 121.20 124.36 2dku s ILE 67 Ca 0.55 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 2dku s ILE 67 Cb -0.30 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.31 2dku s ILE 67 CO 0.32 -0.74 0.84 -0.55 0.00 0.00 0.00 174.94 174.82 2dku s SER 68 N 1.13 5.20 -1.30 3.58 0.15 -1.21 -1.45 113.70 119.81 2dku s SER 68 Ca 0.12 0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 2dku s SER 68 Cb -0.20 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.10 2dku s SER 68 CO -0.15 -1.23 0.60 0.00 1.20 0.00 0.00 173.24 173.66 2dku n ALA 69 N -2.49 -0.87 -0.62 5.45 0.00 -1.08 -4.86 120.51 116.04 2dku n ALA 69 Ca 0.07 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 2dku n ALA 69 Cb 0.60 -3.64 0.14 0.00 0.00 0.00 0.00 19.45 16.54 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 -3.62 -1.79 -3.62 0.00 4.77 -1.26 -4.65 117.00 106.84 2dku n LEU 70 Ca -0.08 -0.27 -0.06 0.00 -0.03 0.00 0.00 56.01 55.57 2dku n LEU 70 Cb 0.59 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 2dku n LEU 70 CO 0.43 -3.08 0.98 -1.83 -1.33 0.00 0.00 177.39 172.56 2dku s GLU 71 N -3.26 0.30 0.61 3.23 -1.05 -1.26 -2.12 118.70 115.15 2dku s GLU 71 Ca 0.39 0.11 0.27 0.00 -0.15 0.00 0.00 54.97 55.59 2dku s GLU 71 Cb -0.06 0.14 1.17 0.00 -0.44 0.00 0.00 34.13 34.94 2dku s GLU 71 CO 0.43 -0.09 1.59 0.87 0.95 0.00 0.00 175.26 179.01 2dku h LYS 72 N 2.47 0.00 0.12 -4.83 1.57 -1.97 1.06 116.57 115.00 2dku h LYS 72 Ca -0.15 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.36 2dku h LYS 72 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 2dku h LYS 72 CO 0.25 0.00 -1.22 0.00 -0.57 0.00 0.00 179.45 177.91 2dku h ALA 73 N 0.96 0.11 -0.76 3.86 0.00 -1.96 -3.26 119.26 118.20 2dku h ALA 73 Ca 0.31 -0.85 0.15 0.00 0.00 0.00 0.00 54.91 54.52 2dku h ALA 73 Cb 1.97 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 2dku h ALA 73 CO -0.00 0.91 0.51 -0.44 0.00 0.00 0.00 179.25 180.23 2dku h ASP 74 N 0.11 0.41 -0.46 0.00 3.32 0.81 -3.40 116.42 117.21 2dku h ASP 74 Ca -0.14 0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.44 2dku h ASP 74 Cb 1.93 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 2dku h ASP 74 CO 0.21 0.21 1.72 -1.20 -1.72 0.00 0.00 179.24 178.46 2dku n SER 75 N -4.48 0.87 -3.23 6.45 7.64 -1.19 -4.80 113.62 114.88 2dku n SER 75 Ca 0.15 -0.01 -0.08 0.00 1.01 0.00 0.00 58.87 59.94 2dku n SER 75 Cb 0.52 -1.11 0.01 0.00 -1.01 0.00 0.00 64.21 62.62 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 9.87 -0.08 -0.28 6.43 1.01 -1.26 -4.98 116.67 127.38 2dku s ASP 76 Ca 1.25 -0.96 -0.21 0.00 0.71 0.00 0.00 52.55 53.34 2dku s ASP 76 Cb -0.96 0.81 -0.01 0.00 1.01 0.00 0.00 42.92 43.77 2dku s ASP 76 CO 0.43 -1.57 0.65 -0.89 0.21 0.00 0.00 175.17 174.00 2dku s THR 77 N -2.82 4.94 0.10 -1.27 2.01 -1.26 -3.39 115.64 113.95 2dku s THR 77 Ca 0.14 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.19 2dku s THR 77 Cb -0.05 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2dku s THR 77 CO 0.10 -0.07 0.22 -0.31 -0.69 0.00 0.00 174.62 173.87 2dku s TYR 78 N 2.60 3.47 -0.08 4.92 1.51 -1.07 -2.82 117.35 125.89 2dku s TYR 78 Ca 0.27 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.50 2dku s TYR 78 Cb -0.15 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 2dku s TYR 78 CO 0.10 0.56 -0.01 0.99 -1.11 0.00 0.00 175.55 176.08 2dku s THR 79 N -1.59 0.48 -0.47 -0.71 2.01 0.75 -2.65 115.64 113.46 2dku s THR 79 Ca 0.34 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 2dku s THR 79 Cb -0.12 -0.61 0.06 0.00 0.01 0.00 0.00 72.50 71.83 2dku s THR 79 CO 0.28 0.28 0.47 0.00 -0.69 0.00 0.00 174.62 174.95 2dku s ASP 81 N 2.43 6.47 -0.01 0.00 2.15 -1.14 -1.95 116.67 124.62 2dku s ASP 81 Ca 0.09 0.54 0.02 0.00 0.43 0.00 0.00 52.55 53.63 2dku s ASP 81 Cb -0.21 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2dku s ASP 81 CO 0.10 0.31 0.03 2.30 -0.17 0.00 0.00 175.17 177.74 2dku n ILE 82 N 1.43 0.07 0.00 4.11 -5.35 -1.01 -1.24 119.36 117.38 2dku n ILE 82 Ca -0.14 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2dku n ILE 82 Cb 0.53 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 2.58 1.44 0.00 3.28 0.00 -1.26 -4.37 105.19 106.86 2dku n GLY 83 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.25 -4.32 1.61 1.13 -1.26 -5.08 117.38 111.71 2dku n GLN 84 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 2dku n GLN 84 Cb 0.00 -0.95 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 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 -1.91 1.72 -0.09 -1.58 0.00 -1.26 -4.91 121.76 113.73 2dku s ALA 85 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 2dku s ALA 85 Cb 0.00 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2dku s ALA 85 CO 0.00 -0.42 0.31 -0.65 0.00 0.00 0.00 175.76 175.01 2dku s GLN 86 N -4.00 0.45 0.53 0.00 1.11 -1.26 -2.40 119.66 114.09 2dku s GLN 86 Ca 0.35 0.28 0.07 0.00 0.01 0.00 0.00 55.36 56.07 2dku s GLN 86 Cb 0.08 0.21 0.04 0.00 -1.01 0.00 0.00 33.01 32.33 2dku s GLN 86 CO 0.12 -0.08 0.53 0.45 0.01 0.00 0.00 175.29 176.33 2dku s SER 87 N -0.21 4.89 -0.17 5.90 0.15 -0.82 -4.91 113.70 118.51 2dku s SER 87 Ca -0.03 -1.01 -0.16 0.00 0.70 0.00 0.00 55.95 55.45 2dku s SER 87 Cb -0.03 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 2dku s SER 87 CO 0.01 -1.10 0.46 -0.13 1.20 0.00 0.00 173.24 173.69 2dku s ARG 88 N -4.39 0.54 -0.12 5.44 0.52 -1.26 -2.74 118.95 116.94 2dku s ARG 88 Ca 0.46 0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 2dku s ARG 88 Cb -0.04 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.72 2dku s ARG 88 CO 0.29 -0.07 0.37 0.00 0.02 0.00 0.00 175.30 175.90 2dku s ALA 89 N 0.30 -0.91 -0.10 2.13 0.00 -1.08 -4.52 121.76 117.58 2dku s ALA 89 Ca -0.00 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 2dku s ALA 89 Cb -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2dku s ALA 89 CO 0.00 -0.19 0.31 -0.65 0.00 0.00 0.00 175.76 175.22 2dku s GLN 90 N -0.08 3.99 -0.08 0.00 -0.21 -1.26 -2.60 119.66 119.42 2dku s GLN 90 Ca -0.02 0.16 -0.02 0.00 0.02 0.00 0.00 55.36 55.50 2dku s GLN 90 Cb -0.03 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2dku s GLN 90 CO 0.01 0.49 0.02 -1.17 -2.12 0.00 0.00 175.29 172.52 2dku s LEU 91 N -0.31 3.69 -0.22 2.90 2.96 -1.22 -2.53 118.68 123.95 2dku s LEU 91 Ca 0.19 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 2dku s LEU 91 Cb -0.14 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.69 2dku s LEU 91 CO 0.07 0.37 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.09 2dku s LEU 92 N -1.02 2.72 -0.60 -0.68 2.96 0.54 -4.24 118.68 118.36 2dku s LEU 92 Ca 0.15 -1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 52.89 2dku s LEU 92 Cb -0.11 -1.49 0.13 0.00 0.50 0.00 0.00 46.19 45.21 2dku s LEU 92 CO 0.04 -0.09 0.61 -0.69 -1.32 0.00 0.00 176.35 174.90 2dku s VAL 93 N 1.21 5.12 -0.20 1.68 1.01 -1.26 -1.60 120.40 126.37 2dku s VAL 93 Ca -0.02 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 2dku s VAL 93 Cb -0.16 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2dku s VAL 93 CO -0.09 -0.99 1.44 -1.10 0.00 0.00 0.00 175.10 174.36 2dku s GLN 94 N 1.81 4.02 -0.83 2.72 -0.21 -0.90 -4.70 119.66 121.56 2dku s GLN 94 Ca 0.08 1.65 -0.19 0.00 0.02 0.00 0.00 55.36 56.92 2dku s GLN 94 Cb -0.25 -3.91 -0.20 0.00 1.00 0.00 0.00 33.01 29.65 2dku s GLN 94 CO 0.02 -1.00 2.21 0.41 -2.12 0.00 0.00 175.29 174.80 2dku n GLY 95 N 4.18 -0.28 0.18 3.09 0.00 -1.26 -2.26 105.19 108.83 2dku n GLY 95 Ca 0.16 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 7.43 -0.19 -3.87 1.61 0.63 -1.26 -3.86 116.66 117.15 2dku n ARG 96 Ca 0.50 0.99 -0.30 0.00 -0.92 0.00 0.00 57.85 58.11 2dku n ARG 96 Cb 0.35 -1.46 -0.15 0.00 0.45 0.00 0.00 32.46 31.65 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 -4.31 1.21 0.00 -0.14 3.52 -1.26 -4.93 118.95 113.04 2dku s ARG 97 Ca -0.05 -1.14 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 2dku s ARG 97 Cb 0.05 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2dku s ARG 97 CO 0.26 -0.79 0.00 0.45 -0.81 0.00 0.00 175.30 174.41 2dku n SER 98 N 4.68 2.25 0.00 -2.12 2.88 -1.25 -4.90 113.62 115.16 2dku n SER 98 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2dku n SER 98 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 2.98 -2.96 3.72 0.46 0.00 -1.26 -4.56 105.19 103.57 2dku n GLY 99 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.27 4.34 0.01 1.61 0.04 -1.26 -4.93 135.00 132.54 2dku s PRO 100 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2dku s PRO 100 Cb 0.00 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2dku s PRO 100 CO 0.00 -0.40 -0.09 0.45 0.04 0.00 0.00 177.00 177.00 2dku n SER 101 N 3.81 1.22 -0.07 6.66 2.88 -1.26 -4.96 113.62 121.89 2dku n SER 101 Ca 0.11 0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.75 2dku n SER 101 Cb 0.43 -0.41 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 2dku n SER 101 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dku n SER 102 N -3.69 1.60 0.00 -3.46 2.88 -1.26 -5.19 113.62 104.50 2dku n SER 102 Ca -0.05 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dku n SER 102 Cb 0.21 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2dku n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42