#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 2.42 0.25 1.61 0.01 -1.26 -5.13 113.70 111.60 2dku s SER 2 Ca 0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.70 2dku s SER 2 Cb 0.00 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 2dku s SER 2 CO 0.00 -0.29 0.18 -0.44 0.41 0.00 0.00 173.24 173.10 2dku s SER 3 N 1.97 0.78 0.00 2.44 0.01 -1.26 -5.11 113.70 112.53 2dku s SER 3 Ca 0.01 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.74 2dku s SER 3 Cb -0.16 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2dku s SER 3 CO -0.07 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2dku n GLY 4 N -0.41 0.60 3.97 3.44 0.00 -1.26 -4.98 105.19 106.54 2dku n GLY 4 Ca 0.04 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.00 5.91 0.44 1.61 0.01 -1.26 -5.10 113.70 111.31 2dku s SER 5 Ca 0.00 0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 2dku s SER 5 Cb 0.00 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 2dku s SER 5 CO 0.00 -0.57 0.76 -0.94 0.41 0.00 0.00 173.24 172.91 2dku s SER 6 N -4.19 6.36 0.00 2.44 1.04 -1.26 -5.03 113.70 113.06 2dku s SER 6 Ca 0.46 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2dku s SER 6 Cb -0.10 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2dku s SER 6 CO 0.35 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2dku n GLY 7 N -1.84 -0.03 3.56 7.32 0.00 -1.26 -5.12 105.19 107.83 2dku n GLY 7 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 2.92 0.24 4.61 0.00 -1.26 -5.14 121.76 121.13 2dku s ALA 8 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.63 2dku s ALA 8 Cb 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2dku s ALA 8 CO 0.00 0.52 0.13 1.21 0.00 0.00 0.00 175.76 177.62 2dku s ASN 9 N -2.60 5.23 0.36 0.00 3.84 -1.26 -4.97 114.94 115.53 2dku s ASN 9 Ca 0.23 -0.35 -0.04 0.00 0.21 0.00 0.00 52.86 52.92 2dku s ASN 9 Cb -0.10 -1.24 0.02 0.00 -0.55 0.00 0.00 41.25 39.38 2dku s ASN 9 CO 0.14 -0.01 0.53 0.00 -2.79 0.00 0.00 177.10 174.97 2dku s PHE 11 N -2.84 3.26 0.24 0.00 0.40 -1.26 -1.92 117.98 115.86 2dku s PHE 11 Ca 0.27 -1.80 0.05 0.00 -0.60 0.00 0.00 56.93 54.84 2dku s PHE 11 Cb -0.02 -2.12 0.27 0.00 0.51 0.00 0.00 43.02 41.66 2dku s PHE 11 CO 0.19 -0.79 1.57 1.79 0.70 0.00 0.00 175.22 178.68 2dku h THR 12 N 6.42 1.39 -3.05 0.64 1.35 -1.85 -3.40 112.91 114.41 2dku h THR 12 Ca -0.22 -1.96 -0.57 0.00 -0.55 0.00 0.00 66.41 63.11 2dku h THR 12 Cb 1.07 1.99 -0.40 0.00 -1.73 0.00 0.00 68.15 69.08 2dku h THR 12 CO 0.54 0.58 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.02 2dku s GLU 13 N -3.77 0.62 0.87 4.72 2.02 -1.26 -5.03 118.70 116.88 2dku s GLU 13 Ca -0.04 -1.01 -0.12 0.00 0.02 0.00 0.00 54.97 53.82 2dku s GLU 13 Cb 0.12 -1.81 0.10 0.00 0.10 0.00 0.00 34.13 32.64 2dku s GLU 13 CO 0.79 -1.01 1.03 0.39 0.02 0.00 0.00 175.26 176.49 2dku n GLU 14 N 4.85 -0.15 -0.35 1.61 1.02 -1.26 -2.39 120.64 123.97 2dku n GLU 14 Ca -0.02 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 2dku n GLU 14 Cb 0.42 -2.30 0.28 0.00 -0.02 0.00 0.00 31.44 29.82 2dku n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dku s LEU 15 N -5.12 -0.40 -0.00 -4.62 1.43 -1.26 -4.84 118.68 103.87 2dku s LEU 15 Ca 0.68 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 2dku s LEU 15 Cb -0.26 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2dku s LEU 15 CO 0.56 -5.00 -0.06 0.28 0.23 0.00 0.00 176.35 172.37 2dku s THR 16 N -2.27 0.43 0.21 5.49 -1.32 -1.26 -4.95 115.64 111.97 2dku s THR 16 Ca 0.69 -0.29 -0.32 0.00 -1.21 0.00 0.00 61.69 60.56 2dku s THR 16 Cb -0.20 -0.38 -0.12 0.00 -1.51 0.00 0.00 72.50 70.29 2dku s THR 16 CO 0.62 0.09 1.68 0.59 -2.21 0.00 0.00 174.62 175.38 2dku n ASN 17 N 2.85 3.78 -4.54 8.08 3.02 -1.26 -4.80 115.26 122.39 2dku n ASN 17 Ca -0.13 1.08 -0.33 0.00 -0.03 0.00 0.00 54.58 55.16 2dku n ASN 17 Cb 0.58 -1.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.09 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dku s LEU 18 N 0.92 3.00 -0.19 3.41 1.43 -1.09 -5.02 118.68 121.14 2dku s LEU 18 Ca 0.74 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 2dku s LEU 18 Cb -0.54 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.07 2dku s LEU 18 CO 0.35 0.34 -0.03 -1.58 0.23 0.00 0.00 176.35 175.67 2dku s GLN 19 N -0.90 1.27 -0.00 1.70 -0.44 -1.26 -0.43 119.66 119.60 2dku s GLN 19 Ca 0.13 -0.60 -0.11 0.00 -2.50 0.00 0.00 55.36 52.28 2dku s GLN 19 Cb -0.11 -2.16 0.01 0.00 -1.64 0.00 0.00 33.01 29.11 2dku s GLN 19 CO 0.02 -0.52 0.22 0.08 0.50 0.00 0.00 175.29 175.59 2dku s VAL 20 N 1.63 0.07 0.35 1.34 1.01 -0.48 -4.99 120.40 119.33 2dku s VAL 20 Ca -0.01 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2dku s VAL 20 Cb -0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 2dku s VAL 20 CO -0.07 -0.33 1.23 -1.61 0.00 0.00 0.00 175.10 174.31 2dku s GLU 21 N -1.41 4.26 1.02 2.72 2.02 -1.26 -1.73 118.70 124.31 2dku s GLU 21 Ca -0.14 2.02 -0.22 0.00 0.02 0.00 0.00 54.97 56.65 2dku s GLU 21 Cb -0.06 -2.93 -0.11 0.00 0.10 0.00 0.00 34.13 31.13 2dku s GLU 21 CO 0.03 -0.20 -0.92 -0.85 0.02 0.00 0.00 175.26 173.34 2dku n GLU 22 N 0.55 -0.29 -1.97 1.61 0.28 0.55 -2.24 120.64 119.13 2dku n GLU 22 Ca 0.02 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 56.79 2dku n GLU 22 Cb 0.44 -1.19 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 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 1.37 -1.72 0.00 3.44 4.76 -0.39 -4.78 118.16 120.85 2dku n LYS 23 Ca -0.01 0.80 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2dku n LYS 23 Cb 0.66 -5.26 0.00 0.00 -1.84 0.00 0.00 35.03 28.59 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 -0.60 1.10 3.63 0.72 0.00 -0.95 -4.66 105.19 104.43 2dku n GLY 24 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 3.61 -0.00 -0.19 2.61 2.01 -1.26 -2.83 115.64 119.59 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 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.58 2dku s THR 25 CO 0.00 0.00 0.03 0.00 -0.69 0.00 0.00 174.62 173.96 2dku s ALA 26 N 1.46 1.04 -0.38 7.40 0.00 -0.45 -4.92 121.76 125.92 2dku s ALA 26 Ca -0.09 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 2dku s ALA 26 Cb -0.05 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.93 2dku s ALA 26 CO -0.17 -1.15 0.19 0.54 0.00 0.00 0.00 175.76 175.17 2dku s VAL 27 N 1.84 4.23 -0.61 0.00 0.11 -1.26 -1.85 120.40 122.86 2dku s VAL 27 Ca -0.01 -1.09 -0.27 0.00 -2.93 0.00 0.00 61.98 57.68 2dku s VAL 27 Cb -0.17 -3.44 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 2dku s VAL 27 CO -0.08 -0.29 1.72 -0.36 -3.33 0.00 0.00 175.10 172.76 2dku s PHE 28 N 1.47 1.83 -0.09 1.54 0.08 -0.99 -4.78 117.98 117.04 2dku s PHE 28 Ca 0.01 0.61 -0.19 0.00 0.12 0.00 0.00 56.93 57.48 2dku s PHE 28 Cb -0.20 -4.21 -0.04 0.00 -0.57 0.00 0.00 43.02 37.99 2dku s PHE 28 CO 0.04 -2.27 0.51 0.95 -0.10 0.00 0.00 175.22 174.35 2dku s THR 29 N 8.10 5.14 0.32 0.64 -4.23 -1.26 -2.49 115.64 121.85 2dku s THR 29 Ca 0.61 1.03 0.03 0.00 -1.18 0.00 0.00 61.69 62.18 2dku s THR 29 Cb -0.12 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.85 2dku s THR 29 CO 0.21 0.34 0.33 0.00 -0.54 0.00 0.00 174.62 174.96 2dku s LYS 31 N -3.41 1.01 -0.06 0.00 2.20 -1.01 -2.28 119.74 116.18 2dku s LYS 31 Ca 0.37 -1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 54.38 2dku s LYS 31 Cb 0.02 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2dku s LYS 31 CO 0.23 -0.24 0.27 0.95 -0.36 0.00 0.00 175.35 176.21 2dku s THR 32 N -3.95 0.03 0.40 3.43 -4.23 -0.97 -3.77 115.64 106.59 2dku s THR 32 Ca 0.25 -0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.61 2dku s THR 32 Cb 0.07 -0.47 0.22 0.00 1.34 0.00 0.00 72.50 73.66 2dku s THR 32 CO 0.03 -0.13 2.00 -0.08 -0.54 0.00 0.00 174.62 175.90 2dku h GLU 33 N 4.94 0.39 -5.47 3.99 4.81 -1.70 -3.44 114.58 118.10 2dku h GLU 33 Ca -0.28 -0.05 -0.43 0.00 -0.13 0.00 0.00 59.36 58.47 2dku h GLU 33 Cb 1.19 -0.07 -0.19 0.00 0.63 0.00 0.00 28.75 30.30 2dku h GLU 33 CO 0.36 0.35 -0.77 -1.01 -0.73 0.00 0.00 179.01 177.21 2dku s HIS 34 N -5.14 1.39 -0.94 0.92 3.76 -1.26 -5.02 115.29 109.00 2dku s HIS 34 Ca -0.07 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.08 2dku s HIS 34 Cb 0.16 -0.74 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 2dku s HIS 34 CO 0.73 0.13 1.95 -1.25 -0.85 0.00 0.00 174.74 175.44 2dku s PRO 35 N -2.35 2.55 0.90 8.40 0.04 -1.26 -4.92 135.00 138.35 2dku s PRO 35 Ca 0.06 -0.41 -0.15 0.00 0.04 0.00 0.00 61.00 60.53 2dku s PRO 35 Cb -0.07 -5.09 -0.07 0.00 0.04 0.00 0.00 34.50 29.31 2dku s PRO 35 CO 0.03 -3.46 -0.15 0.00 0.04 0.00 0.00 177.00 173.46 2dku n ALA 36 N 14.04 -3.75 0.50 8.56 0.00 -1.26 -4.92 120.51 133.67 2dku n ALA 36 Ca 0.41 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 53.40 2dku n ALA 36 Cb 0.47 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.77 3.72 -3.56 0.00 0.00 -1.26 -4.99 120.51 111.63 2dku n ALA 37 Ca 0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2dku n ALA 37 Cb 0.54 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.05 0.00 -0.07 0.00 -1.32 -1.26 -5.16 115.64 104.78 2dku s THR 38 Ca 0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.48 2dku s THR 38 Cb 0.14 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.15 2dku s THR 38 CO 0.80 0.00 0.00 -0.69 -2.21 0.00 0.00 174.62 172.52 2dku s VAL 39 N -0.80 0.37 -0.39 5.08 1.01 -1.26 -4.33 120.40 120.07 2dku s VAL 39 Ca -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2dku s VAL 39 Cb -0.01 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.95 2dku s VAL 39 CO 0.05 0.26 0.17 -0.89 0.00 0.00 0.00 175.10 174.69 2dku s THR 40 N 1.92 3.08 0.54 3.92 2.01 0.11 -4.98 115.64 122.23 2dku s THR 40 Ca 0.04 -2.12 -0.18 0.00 0.31 0.00 0.00 61.69 59.74 2dku s THR 40 Cb -0.12 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2dku s THR 40 CO -0.05 -0.67 1.06 0.26 -0.69 0.00 0.00 174.62 174.53 2dku s TRP 41 N 1.09 2.94 -0.05 4.92 0.52 -1.26 -2.96 118.94 124.14 2dku s TRP 41 Ca 0.09 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.75 2dku s TRP 41 Cb -0.22 -3.08 0.03 0.00 -1.15 0.00 0.00 33.47 29.05 2dku s TRP 41 CO -0.05 -1.06 0.02 0.50 0.02 0.00 0.00 176.95 176.39 2dku s ARG 42 N -3.55 0.25 -0.78 4.98 3.52 -0.43 -1.11 118.95 121.83 2dku s ARG 42 Ca 0.67 0.20 -0.19 0.00 -0.13 0.00 0.00 55.73 56.28 2dku s ARG 42 Cb -0.17 -0.64 0.12 0.00 -1.56 0.00 0.00 34.95 32.70 2dku s ARG 42 CO 0.27 -0.26 0.94 0.21 -0.81 0.00 0.00 175.30 175.65 2dku s LYS 43 N 1.75 3.36 0.78 5.12 2.20 0.98 -0.76 119.74 133.18 2dku s LYS 43 Ca 0.00 -1.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 2dku s LYS 43 Cb -0.13 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.64 2dku s LYS 43 CO -0.03 -1.66 0.00 0.41 -0.36 0.00 0.00 175.35 173.71 2dku n GLY 44 N 5.21 1.19 0.00 5.54 0.00 0.11 -1.41 105.19 115.83 2dku n GLY 44 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2dku n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dku n LEU 45 N 0.00 0.47 -4.79 0.99 7.94 -1.26 -4.98 117.00 115.36 2dku n LEU 45 Ca 0.00 -0.48 -0.28 0.00 -1.11 0.00 0.00 56.01 54.14 2dku n LEU 45 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2dku n LEU 45 CO 0.00 0.12 -0.24 -0.22 -1.11 0.00 0.00 177.39 175.94 2dku s LEU 46 N -0.06 3.80 -0.17 -1.96 0.20 -0.50 -5.10 118.68 114.90 2dku s LEU 46 Ca 0.00 -0.08 -0.15 0.00 0.69 0.00 0.00 54.13 54.58 2dku s LEU 46 Cb 0.00 -2.44 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 2dku s LEU 46 CO 0.00 0.11 0.37 -0.70 -0.29 0.00 0.00 176.35 175.84 2dku s GLU 47 N -2.83 4.24 0.35 1.98 2.12 -1.26 -0.01 118.70 123.30 2dku s GLU 47 Ca 0.30 0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 2dku s GLU 47 Cb -0.11 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2dku s GLU 47 CO 0.23 0.12 0.60 -0.51 -0.54 0.00 0.00 175.26 175.16 2dku s LEU 48 N 0.82 3.95 -0.08 2.70 1.43 -0.27 -4.89 118.68 122.34 2dku s LEU 48 Ca 0.19 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 2dku s LEU 48 Cb -0.14 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.59 2dku s LEU 48 CO 0.07 -0.32 0.40 0.00 0.23 0.00 0.00 176.35 176.73 2dku s ARG 49 N -4.12 0.65 -0.76 1.70 1.70 -1.26 -4.44 118.95 112.42 2dku s ARG 49 Ca 0.43 0.18 -0.35 0.00 -0.47 0.00 0.00 55.73 55.52 2dku s ARG 49 Cb -0.10 0.30 -0.19 0.00 -0.57 0.00 0.00 34.95 34.39 2dku s ARG 49 CO 0.36 -0.15 2.47 0.00 -1.08 0.00 0.00 175.30 176.89 2dku n ALA 50 N 1.86 0.36 -3.10 7.88 0.00 -1.25 -4.52 120.51 121.75 2dku n ALA 50 Ca -0.18 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 2dku n ALA 50 Cb 0.57 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 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 0.65 0.00 0.01 0.71 -4.98 113.70 118.22 2dku s SER 51 Ca 1.26 -1.00 0.19 0.00 1.31 0.00 0.00 55.95 57.71 2dku s SER 51 Cb -1.23 0.58 0.98 0.00 0.21 0.00 0.00 66.02 66.56 2dku s SER 51 CO 0.53 -1.14 1.54 1.23 0.41 0.00 0.00 173.24 175.81 2dku h GLY 52 N 2.27 0.00 0.00 3.44 0.00 -2.01 -2.15 103.07 104.62 2dku h GLY 52 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2dku h GLY 52 CO 0.37 0.00 -0.35 1.70 0.00 0.00 0.00 176.54 178.26 2dku h LYS 53 N 0.00 0.00 -4.62 4.80 1.63 -1.90 -3.44 116.57 113.04 2dku h LYS 53 Ca 0.07 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 59.17 2dku h LYS 53 Cb 1.40 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.79 2dku h LYS 53 CO -0.00 0.00 -0.52 -1.01 -3.45 0.00 0.00 179.45 174.47 2dku s HIS 54 N -1.86 3.23 -0.56 1.91 3.76 -0.81 -3.33 115.29 117.64 2dku s HIS 54 Ca -0.10 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 53.94 2dku s HIS 54 Cb 0.01 -2.43 0.14 0.00 1.11 0.00 0.00 32.58 31.42 2dku s HIS 54 CO 0.15 -0.62 0.31 -0.65 -0.85 0.00 0.00 174.74 173.08 2dku s GLN 55 N 1.56 2.12 1.14 1.40 -1.52 -0.94 -0.21 119.66 123.21 2dku s GLN 55 Ca 0.02 -2.69 -0.17 0.00 -1.95 0.00 0.00 55.36 50.58 2dku s GLN 55 Cb -0.19 -3.39 0.26 0.00 -0.22 0.00 0.00 33.01 29.46 2dku s GLN 55 CO 0.07 -1.14 1.10 -1.25 -0.25 0.00 0.00 175.29 173.82 2dku s PRO 56 N -0.39 -0.69 0.14 2.91 0.04 -1.26 -3.02 135.00 132.73 2dku s PRO 56 Ca 0.18 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.10 2dku s PRO 56 Cb -0.23 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.73 2dku s PRO 56 CO -0.02 -3.40 0.82 -1.54 0.04 0.00 0.00 177.00 172.90 2dku s SER 57 N -3.74 -0.32 -0.03 6.66 1.04 -0.74 -4.93 113.70 111.65 2dku s SER 57 Ca 0.69 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.84 2dku s SER 57 Cb -0.13 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2dku s SER 57 CO 0.57 -0.94 0.04 -1.58 0.98 0.00 0.00 173.24 172.30 2dku s GLN 58 N -3.47 0.03 -0.49 4.02 0.74 -1.26 -3.48 119.66 115.75 2dku s GLN 58 Ca 0.08 0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.81 2dku s GLN 58 Cb -0.02 -0.44 0.26 0.00 1.10 0.00 0.00 33.01 33.90 2dku s GLN 58 CO -0.02 -0.24 0.63 0.39 -0.55 0.00 0.00 175.29 175.50 2dku n GLU 59 N 4.73 1.52 0.00 1.67 -0.58 -0.64 -5.04 120.64 122.31 2dku n GLU 59 Ca -0.16 -3.85 0.00 0.00 -0.42 0.00 0.00 57.16 52.73 2dku n GLU 59 Cb 0.50 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.07 1.80 0.93 0.62 0.00 -1.26 -3.30 105.19 105.05 2dku n GLY 60 Ca 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2dku n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 61 N 0.00 3.91 -3.93 0.99 4.77 -1.26 -4.37 117.00 117.11 2dku n LEU 61 Ca 0.00 -3.20 -0.23 0.00 -0.03 0.00 0.00 56.01 52.55 2dku n LEU 61 Cb 0.00 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 40.36 2dku n LEU 61 CO 0.00 0.81 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.55 2dku s THR 62 N -2.94 0.80 0.05 -5.08 2.01 -1.21 -2.28 115.64 106.99 2dku s THR 62 Ca 0.42 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.26 2dku s THR 62 Cb 0.36 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2dku s THR 62 CO 0.07 0.29 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.29 2dku s LEU 63 N 1.03 2.18 -0.03 4.42 1.43 -0.97 -1.62 118.68 125.13 2dku s LEU 63 Ca -0.09 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2dku s LEU 63 Cb -0.14 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2dku s LEU 63 CO -0.00 0.20 0.34 0.00 0.23 0.00 0.00 176.35 177.12 2dku s ARG 64 N -1.30 0.68 -0.31 1.70 1.70 -1.23 -0.72 118.95 119.47 2dku s ARG 64 Ca 0.10 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.26 2dku s ARG 64 Cb -0.09 0.31 0.09 0.00 -0.57 0.00 0.00 34.95 34.68 2dku s ARG 64 CO 0.02 -0.18 0.06 -1.17 -1.08 0.00 0.00 175.30 172.95 2dku s LEU 65 N -1.20 3.13 0.04 -1.89 2.96 -1.04 -1.79 118.68 118.89 2dku s LEU 65 Ca -0.12 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 51.75 2dku s LEU 65 Cb -0.05 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2dku s LEU 65 CO 0.04 -0.37 1.21 -0.89 -1.32 0.00 0.00 176.35 175.02 2dku s THR 66 N 1.35 4.06 -0.26 3.68 2.01 -1.17 -2.36 115.64 122.95 2dku s THR 66 Ca 0.08 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.56 2dku s THR 66 Cb -0.18 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.46 2dku s THR 66 CO -0.16 0.09 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.17 2dku s ILE 67 N 1.35 1.81 0.20 1.82 1.01 -0.77 -2.21 121.20 124.41 2dku s ILE 67 Ca 0.58 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2dku s ILE 67 Cb -0.29 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2dku s ILE 67 CO 0.28 -0.16 0.32 -0.44 0.00 0.00 0.00 174.94 174.94 2dku s SER 68 N 1.25 6.30 -0.59 3.58 0.01 -1.21 -1.34 113.70 121.70 2dku s SER 68 Ca -0.04 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 2dku s SER 68 Cb -0.19 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2dku s SER 68 CO -0.07 -0.01 0.50 0.00 0.41 0.00 0.00 173.24 174.07 2dku n ALA 69 N -1.00 -0.77 -0.53 1.44 0.00 -1.13 -4.85 120.51 113.68 2dku n ALA 69 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2dku n ALA 69 Cb 0.56 -2.11 0.23 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.51 -2.05 -3.50 0.00 4.77 -1.25 -4.69 117.00 107.76 2dku n LEU 70 Ca -0.06 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.55 2dku n LEU 70 Cb 0.55 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2dku n LEU 70 CO 0.29 -3.31 0.50 -1.83 -1.33 0.00 0.00 177.39 171.71 2dku s GLU 71 N -4.00 1.02 0.39 3.23 -1.05 -1.26 -1.26 118.70 115.77 2dku s GLU 71 Ca 0.63 0.01 0.20 0.00 -0.15 0.00 0.00 54.97 55.65 2dku s GLU 71 Cb -0.19 0.48 1.18 0.00 -0.44 0.00 0.00 34.13 35.15 2dku s GLU 71 CO 0.65 -0.37 1.69 0.87 0.95 0.00 0.00 175.26 179.05 2dku h LYS 72 N 2.59 0.29 -0.51 -4.83 1.57 -1.94 0.58 116.57 114.32 2dku h LYS 72 Ca -0.27 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 2dku h LYS 72 Cb 1.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2dku h LYS 72 CO 0.37 0.19 -0.18 0.00 -0.57 0.00 0.00 179.45 179.25 2dku h ALA 73 N 1.70 0.71 -0.95 3.86 0.00 -1.95 -3.10 119.26 119.53 2dku h ALA 73 Ca 0.71 -0.38 0.36 0.00 0.00 0.00 0.00 54.91 55.60 2dku h ALA 73 Cb 1.85 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.29 2dku h ALA 73 CO -0.45 0.68 0.38 -3.47 0.00 0.00 0.00 179.25 176.39 2dku n ASP 74 N -4.12 0.21 -4.43 0.00 2.03 0.20 -4.38 116.55 106.06 2dku n ASP 74 Ca 0.01 1.59 -0.46 0.00 0.52 0.00 0.00 54.79 56.44 2dku n ASP 74 Cb 0.44 -0.72 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dku n SER 75 N -5.23 0.64 -2.80 1.67 7.64 -1.17 -4.78 113.62 109.58 2dku n SER 75 Ca 0.32 0.29 -0.04 0.00 1.01 0.00 0.00 58.87 60.45 2dku n SER 75 Cb 1.09 -0.97 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dku n ASP 76 N 9.97 -1.57 -4.52 6.43 -0.08 -1.26 -5.00 116.55 120.52 2dku n ASP 76 Ca 0.60 -1.91 -0.40 0.00 -1.51 0.00 0.00 54.79 51.57 2dku n ASP 76 Cb 0.05 2.57 -0.11 0.00 2.34 0.00 0.00 41.12 45.98 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 -2.17 5.22 -0.11 5.18 2.01 -1.26 -3.01 115.64 121.50 2dku s THR 77 Ca 0.18 -0.22 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 2dku s THR 77 Cb -0.03 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2dku s THR 77 CO 0.06 0.01 0.26 -0.31 -0.69 0.00 0.00 174.62 173.94 2dku s TYR 78 N 1.71 3.58 -0.22 4.92 1.51 -1.06 -0.72 117.35 127.08 2dku s TYR 78 Ca 0.06 0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 56.73 2dku s TYR 78 Cb -0.17 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2dku s TYR 78 CO 0.10 0.52 -0.04 0.99 -1.11 0.00 0.00 175.55 176.02 2dku s THR 79 N -0.47 3.46 -0.96 -0.71 2.01 0.06 -2.72 115.64 116.32 2dku s THR 79 Ca 0.17 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 2dku s THR 79 Cb -0.13 -2.57 0.20 0.00 0.01 0.00 0.00 72.50 70.00 2dku s THR 79 CO 0.06 0.42 1.02 0.00 -0.69 0.00 0.00 174.62 175.44 2dku s ASP 81 N 2.53 7.00 -0.01 0.00 1.11 -1.16 -2.66 116.67 123.48 2dku s ASP 81 Ca 0.28 1.20 0.09 0.00 0.18 0.00 0.00 52.55 54.30 2dku s ASP 81 Cb -0.07 -2.40 -0.13 0.00 1.07 0.00 0.00 42.92 41.38 2dku s ASP 81 CO -0.08 -0.05 0.26 2.30 1.18 0.00 0.00 175.17 178.77 2dku n ILE 82 N 3.47 0.00 0.00 0.77 -5.35 -0.95 0.07 119.36 117.37 2dku n ILE 82 Ca -0.03 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2dku n ILE 82 Cb 0.51 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 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 1.76 4.18 0.10 3.28 0.00 -1.26 -4.38 105.19 108.86 2dku n GLY 83 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 0.54 -4.42 1.61 -0.06 -1.26 -5.05 117.38 108.75 2dku n GLN 84 Ca 0.00 0.10 -0.20 0.00 -2.00 0.00 0.00 57.00 54.90 2dku n GLN 84 Cb 0.00 -1.39 -0.10 0.00 -4.06 0.00 0.00 30.24 24.69 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 -2.39 2.23 -0.13 1.69 0.00 -1.26 -4.98 121.76 116.92 2dku s ALA 85 Ca -0.25 -1.98 -0.11 0.00 0.00 0.00 0.00 51.96 49.63 2dku s ALA 85 Cb 0.07 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.82 2dku s ALA 85 CO 0.46 -0.28 0.34 -0.65 0.00 0.00 0.00 175.76 175.63 2dku s GLN 86 N -3.87 0.37 0.22 0.00 1.11 -1.26 -2.24 119.66 113.99 2dku s GLN 86 Ca 0.34 0.55 0.06 0.00 0.01 0.00 0.00 55.36 56.32 2dku s GLN 86 Cb 0.08 0.11 -0.04 0.00 -1.01 0.00 0.00 33.01 32.15 2dku s GLN 86 CO 0.14 -0.09 0.15 0.45 0.01 0.00 0.00 175.29 175.95 2dku s SER 87 N 0.57 5.41 -0.03 5.90 0.15 -1.09 -4.90 113.70 119.72 2dku s SER 87 Ca -0.03 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.40 2dku s SER 87 Cb -0.05 -1.36 0.01 0.00 -1.71 0.00 0.00 66.02 62.91 2dku s SER 87 CO -0.03 0.01 -0.08 -0.13 1.20 0.00 0.00 173.24 174.20 2dku s ARG 88 N -3.51 0.95 -0.03 5.44 0.52 -1.26 -1.19 118.95 119.87 2dku s ARG 88 Ca 0.32 -0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 2dku s ARG 88 Cb -0.09 -0.89 0.01 0.00 0.52 0.00 0.00 34.95 34.50 2dku s ARG 88 CO 0.24 0.08 0.11 0.00 0.02 0.00 0.00 175.30 175.75 2dku s ALA 89 N 0.30 -0.26 -0.10 2.13 0.00 -1.10 -4.70 121.76 118.03 2dku s ALA 89 Ca -0.05 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.02 2dku s ALA 89 Cb -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2dku s ALA 89 CO 0.01 -0.08 0.23 -0.65 0.00 0.00 0.00 175.76 175.27 2dku s GLN 90 N -0.21 3.71 -0.03 0.00 -0.21 -1.26 -2.56 119.66 119.10 2dku s GLN 90 Ca -0.03 0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.43 2dku s GLN 90 Cb -0.02 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 2dku s GLN 90 CO 0.00 0.67 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.53 2dku s LEU 91 N -0.79 2.75 -0.22 2.90 2.96 -1.16 -2.66 118.68 122.45 2dku s LEU 91 Ca 0.17 -0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2dku s LEU 91 Cb -0.13 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2dku s LEU 91 CO 0.06 0.33 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.09 2dku s LEU 92 N -0.90 2.85 -0.59 -0.68 2.96 0.43 -4.02 118.68 118.74 2dku s LEU 92 Ca 0.12 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 53.06 2dku s LEU 92 Cb -0.11 -1.60 0.15 0.00 0.50 0.00 0.00 46.19 45.13 2dku s LEU 92 CO 0.02 -0.08 0.53 -0.69 -1.32 0.00 0.00 176.35 174.81 2dku s VAL 93 N 1.30 5.19 0.38 1.68 1.01 -1.26 -1.39 120.40 127.31 2dku s VAL 93 Ca 0.01 -1.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.02 2dku s VAL 93 Cb -0.16 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2dku s VAL 93 CO -0.07 -0.89 1.13 -1.10 0.00 0.00 0.00 175.10 174.16 2dku s GLN 94 N 1.31 4.19 -0.30 2.72 -1.52 -0.71 -4.63 119.66 120.72 2dku s GLN 94 Ca 0.06 1.75 -0.29 0.00 -1.95 0.00 0.00 55.36 54.93 2dku s GLN 94 Cb -0.26 -2.74 -0.01 0.00 -0.22 0.00 0.00 33.01 29.78 2dku s GLN 94 CO 0.01 -0.18 1.50 0.20 -0.25 0.00 0.00 175.29 176.57 2dku s GLY 95 N -1.19 1.19 0.56 3.09 0.00 -1.26 -0.33 107.32 109.38 2dku s GLY 95 Ca 0.55 0.20 -0.14 0.00 0.00 0.00 0.00 44.72 45.33 2dku s GLY 95 CO 0.36 2.86 1.01 -1.60 0.00 0.00 0.00 173.10 175.73 2dku s ARG 96 N 4.69 3.75 -0.82 2.90 3.52 -1.26 -4.86 118.95 126.87 2dku s ARG 96 Ca 0.66 0.89 -0.35 0.00 -0.13 0.00 0.00 55.73 56.80 2dku s ARG 96 Cb -0.20 -2.10 -0.20 0.00 -1.56 0.00 0.00 34.95 30.88 2dku s ARG 96 CO 0.29 -0.44 2.52 -2.13 -0.81 0.00 0.00 175.30 174.72 2dku n ARG 97 N -2.10 0.06 -4.29 5.12 0.63 -1.26 -4.89 116.66 109.94 2dku n ARG 97 Ca 0.06 0.01 -0.26 0.00 -0.92 0.00 0.00 57.85 56.74 2dku n ARG 97 Cb 0.54 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.78 2dku n ARG 97 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dku s SER 98 N 8.18 4.32 0.00 6.15 1.04 -1.26 -5.07 113.70 127.06 2dku s SER 98 Ca 1.30 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2dku s SER 98 Cb -1.29 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2dku s SER 98 CO 0.53 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.45 2dku n GLY 99 N -0.10 0.78 3.61 7.32 0.00 -1.26 -5.03 105.19 110.50 2dku n GLY 99 Ca -0.10 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -1.16 3.48 0.38 1.61 0.04 -1.26 -4.98 135.00 133.12 2dku s PRO 100 Ca 0.00 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.44 2dku s PRO 100 Cb 0.00 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.41 2dku s PRO 100 CO 0.00 -1.68 0.07 -1.13 0.04 0.00 0.00 177.00 174.31 2dku n SER 101 N 9.58 2.04 -0.55 6.66 3.41 -1.26 -5.04 113.62 128.47 2dku n SER 101 Ca 0.21 -2.87 0.13 0.00 -0.26 0.00 0.00 58.87 56.08 2dku n SER 101 Cb 0.47 0.64 0.37 0.00 -0.26 0.00 0.00 64.21 65.42 2dku n SER 101 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dku n SER 102 N -1.46 1.78 0.00 4.04 3.41 -1.26 -5.30 113.62 114.84 2dku n SER 102 Ca -0.10 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2dku n SER 102 Cb 0.53 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2dku n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49