#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 -1.95 -4.77 1.61 3.41 -1.26 -4.87 113.62 105.79 2dku n SER 2 Ca 0.00 -1.13 -0.38 0.00 -0.26 0.00 0.00 58.87 57.09 2dku n SER 2 Cb 0.00 -2.22 -0.04 0.00 -0.26 0.00 0.00 64.21 61.70 2dku n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dku s SER 3 N -3.52 6.89 0.29 4.04 1.04 -1.26 -4.99 113.70 116.19 2dku s SER 3 Ca 0.62 2.22 -0.29 0.00 0.48 0.00 0.00 55.95 58.97 2dku s SER 3 Cb -0.35 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.06 2dku s SER 3 CO 0.97 -0.41 1.26 -0.83 0.98 0.00 0.00 173.24 175.21 2dku s GLY 4 N -1.17 2.91 0.52 7.32 0.00 -1.26 -4.96 107.32 110.68 2dku s GLY 4 Ca 0.52 1.14 -0.21 0.00 0.00 0.00 0.00 44.72 46.18 2dku s GLY 4 CO 0.36 1.84 0.95 -1.14 0.00 0.00 0.00 173.10 175.12 2dku n SER 5 N 1.26 0.86 -4.58 1.64 3.41 -1.26 -4.81 113.62 110.15 2dku n SER 5 Ca 0.01 0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 59.12 2dku n SER 5 Cb 0.43 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 2dku n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dku s SER 6 N -1.02 5.27 0.05 4.04 0.15 -1.26 -4.90 113.70 116.03 2dku s SER 6 Ca 0.70 1.14 -0.26 0.00 0.70 0.00 0.00 55.95 58.23 2dku s SER 6 Cb -0.47 -2.52 0.08 0.00 -1.71 0.00 0.00 66.02 61.40 2dku s SER 6 CO 0.52 -2.23 0.73 -0.83 1.20 0.00 0.00 173.24 172.63 2dku s GLY 7 N 8.64 -0.54 1.09 9.45 0.00 -1.26 -5.17 107.32 119.53 2dku s GLY 7 Ca 0.86 0.89 -0.15 0.00 0.00 0.00 0.00 44.72 46.31 2dku s GLY 7 CO 0.29 0.39 0.40 0.00 0.00 0.00 0.00 173.10 174.18 2dku n ALA 8 N -0.07 -1.64 -3.59 3.20 0.00 -1.26 -4.95 120.51 112.20 2dku n ALA 8 Ca -0.14 -1.19 -0.07 0.00 0.00 0.00 0.00 53.44 52.04 2dku n ALA 8 Cb 0.62 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 2dku n ALA 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dku s ASN 9 N -2.14 -0.24 0.07 0.00 2.47 -1.26 -4.97 114.94 108.87 2dku s ASN 9 Ca 0.42 0.18 -0.02 0.00 0.42 0.00 0.00 52.86 53.87 2dku s ASN 9 Cb -0.08 0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.90 2dku s ASN 9 CO 0.39 -0.28 0.00 0.00 -3.72 0.00 0.00 177.10 173.50 2dku s PHE 11 N -3.94 3.27 0.10 0.00 0.40 -1.26 -0.51 117.98 116.04 2dku s PHE 11 Ca 0.10 0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.04 2dku s PHE 11 Cb 0.08 -2.73 -0.19 0.00 0.51 0.00 0.00 43.02 40.68 2dku s PHE 11 CO -0.08 -0.28 1.22 1.79 0.70 0.00 0.00 175.22 178.57 2dku h THR 12 N 5.39 1.41 -3.17 0.64 1.35 -1.82 -3.42 112.91 113.30 2dku h THR 12 Ca -0.29 -2.65 -0.59 0.00 -0.55 0.00 0.00 66.41 62.33 2dku h THR 12 Cb 1.14 2.64 -0.40 0.00 -1.73 0.00 0.00 68.15 69.80 2dku h THR 12 CO 0.72 0.79 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.42 2dku s GLU 13 N -3.02 0.79 0.93 4.72 2.02 -1.26 -5.02 118.70 117.88 2dku s GLU 13 Ca -0.06 -1.18 -0.11 0.00 0.02 0.00 0.00 54.97 53.64 2dku s GLU 13 Cb 0.08 -2.08 0.13 0.00 0.10 0.00 0.00 34.13 32.36 2dku s GLU 13 CO 0.88 -1.00 0.99 0.39 0.02 0.00 0.00 175.26 176.55 2dku n GLU 14 N 4.72 -0.50 -0.63 1.61 1.02 -1.26 -2.27 120.64 123.33 2dku n GLU 14 Ca -0.01 -0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 2dku n GLU 14 Cb 0.41 -2.27 0.27 0.00 -0.02 0.00 0.00 31.44 29.84 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 -5.54 -0.47 0.12 -4.62 1.43 -1.26 -4.83 118.68 103.50 2dku s LEU 15 Ca 0.65 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 2dku s LEU 15 Cb -0.23 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2dku s LEU 15 CO 0.60 -4.95 -0.02 0.28 0.23 0.00 0.00 176.35 172.49 2dku s THR 16 N -2.55 0.52 -0.02 5.49 -1.32 -1.26 -4.92 115.64 111.58 2dku s THR 16 Ca 0.70 -1.93 -0.30 0.00 -1.21 0.00 0.00 61.69 58.95 2dku s THR 16 Cb -0.12 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 68.99 2dku s THR 16 CO 0.57 -0.70 1.10 0.54 -2.21 0.00 0.00 174.62 173.92 2dku s ASN 17 N -3.07 7.19 0.03 8.08 2.20 -1.26 -4.53 114.94 123.58 2dku s ASN 17 Ca 0.17 1.77 0.04 0.00 -0.94 0.00 0.00 52.86 53.89 2dku s ASN 17 Cb 0.06 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.71 2dku s ASN 17 CO -0.02 -0.43 -0.04 -0.76 -2.94 0.00 0.00 177.10 172.90 2dku s LEU 18 N 1.52 3.28 -0.13 3.54 1.43 -1.07 -5.01 118.68 122.25 2dku s LEU 18 Ca 0.54 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2dku s LEU 18 Cb -0.24 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.10 2dku s LEU 18 CO 0.25 0.25 0.05 -1.58 0.23 0.00 0.00 176.35 175.55 2dku s GLN 19 N -1.70 0.33 0.09 1.70 0.74 -1.26 -0.74 119.66 118.82 2dku s GLN 19 Ca 0.20 -0.03 -0.07 0.00 0.05 0.00 0.00 55.36 55.50 2dku s GLN 19 Cb -0.11 -1.43 -0.01 0.00 1.10 0.00 0.00 33.01 32.56 2dku s GLN 19 CO 0.11 -0.50 0.16 0.08 -0.55 0.00 0.00 175.29 174.59 2dku s VAL 20 N 2.03 0.15 0.25 1.34 1.01 -0.41 -4.98 120.40 119.79 2dku s VAL 20 Ca 0.03 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 2dku s VAL 20 Cb -0.15 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 2dku s VAL 20 CO -0.07 -0.68 1.00 -1.61 0.00 0.00 0.00 175.10 173.75 2dku s GLU 21 N -3.88 4.77 0.78 2.72 0.41 -1.26 0.48 118.70 122.72 2dku s GLU 21 Ca 0.06 1.60 -0.17 0.00 -0.41 0.00 0.00 54.97 56.06 2dku s GLU 21 Cb 0.05 -3.25 -0.14 0.00 -1.78 0.00 0.00 34.13 29.01 2dku s GLU 21 CO -0.10 0.40 -0.46 -0.85 -0.49 0.00 0.00 175.26 173.76 2dku n GLU 22 N 1.43 0.01 -2.60 1.61 0.28 0.43 -2.16 120.64 119.63 2dku n GLU 22 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.78 2dku n GLU 22 Cb 0.46 -1.04 0.01 0.00 1.43 0.00 0.00 31.44 32.30 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 1.92 -2.75 0.00 3.44 4.76 -0.49 -4.77 118.16 120.27 2dku n LYS 23 Ca 0.03 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 2dku n LYS 23 Cb 0.52 -5.67 0.00 0.00 -1.84 0.00 0.00 35.03 28.04 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 -1.19 1.07 3.36 0.72 0.00 -0.92 -4.69 105.19 103.54 2dku n GLY 24 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 3.56 -0.81 -0.19 2.61 2.01 -1.26 -2.85 115.64 118.71 2dku s THR 25 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2dku s THR 25 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 2dku s THR 25 CO 0.00 0.00 -0.10 0.00 -0.69 0.00 0.00 174.62 173.83 2dku s ALA 26 N 2.80 2.64 -0.34 7.40 0.00 0.13 -4.93 121.76 129.45 2dku s ALA 26 Ca 0.04 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 2dku s ALA 26 Cb -0.12 -1.44 0.08 0.00 0.00 0.00 0.00 23.12 21.65 2dku s ALA 26 CO -0.18 -0.23 0.07 0.08 0.00 0.00 0.00 175.76 175.50 2dku s VAL 27 N 1.13 2.82 -0.64 0.00 1.01 -1.26 -0.31 120.40 123.15 2dku s VAL 27 Ca 0.01 -1.87 -0.27 0.00 0.00 0.00 0.00 61.98 59.85 2dku s VAL 27 Cb -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2dku s VAL 27 CO -0.03 -0.41 1.59 -0.36 0.00 0.00 0.00 175.10 175.89 2dku s PHE 28 N 1.11 1.97 -0.08 5.22 0.08 -1.02 -4.82 117.98 120.44 2dku s PHE 28 Ca 0.03 0.45 -0.20 0.00 0.12 0.00 0.00 56.93 57.32 2dku s PHE 28 Cb -0.21 -4.32 -0.04 0.00 -0.57 0.00 0.00 43.02 37.88 2dku s PHE 28 CO -0.04 -2.20 0.57 0.95 -0.10 0.00 0.00 175.22 174.40 2dku s THR 29 N 7.44 5.09 0.31 0.64 -4.23 -1.26 -2.22 115.64 121.40 2dku s THR 29 Ca 0.54 1.16 0.05 0.00 -1.18 0.00 0.00 61.69 62.26 2dku s THR 29 Cb -0.11 -3.91 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 2dku s THR 29 CO 0.20 0.32 0.27 0.00 -0.54 0.00 0.00 174.62 174.87 2dku s LYS 31 N -3.56 0.89 0.03 0.00 2.20 -0.96 -1.92 119.74 116.42 2dku s LYS 31 Ca 0.39 -1.39 -0.05 0.00 -0.36 0.00 0.00 55.97 54.56 2dku s LYS 31 Cb 0.03 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 2dku s LYS 31 CO 0.24 -0.25 0.08 0.95 -0.36 0.00 0.00 175.35 176.01 2dku s THR 32 N -4.03 0.13 0.19 3.43 -4.23 -0.94 -3.55 115.64 106.65 2dku s THR 32 Ca 0.21 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2dku s THR 32 Cb 0.07 -0.79 -0.08 0.00 1.34 0.00 0.00 72.50 73.04 2dku s THR 32 CO -0.00 -0.58 1.47 -0.08 -0.54 0.00 0.00 174.62 174.89 2dku h GLU 33 N 3.83 0.37 -5.72 3.99 4.81 -1.12 -3.43 114.58 117.32 2dku h GLU 33 Ca -0.32 -0.28 -0.48 0.00 -0.13 0.00 0.00 59.36 58.15 2dku h GLU 33 Cb 1.19 0.05 -0.19 0.00 0.63 0.00 0.00 28.75 30.43 2dku h GLU 33 CO 0.49 0.91 -0.78 -1.01 -0.73 0.00 0.00 179.01 177.89 2dku s HIS 34 N -3.68 1.61 -0.99 0.92 3.76 -1.26 -5.00 115.29 110.64 2dku s HIS 34 Ca -0.05 -0.50 -0.24 0.00 -0.15 0.00 0.00 55.06 54.12 2dku s HIS 34 Cb 0.11 -0.83 -0.06 0.00 1.11 0.00 0.00 32.58 32.91 2dku s HIS 34 CO 0.83 0.22 1.94 -1.25 -0.85 0.00 0.00 174.74 175.63 2dku s PRO 35 N -2.59 2.54 0.27 8.40 0.04 -1.26 -4.80 135.00 137.61 2dku s PRO 35 Ca 0.11 -0.58 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 2dku s PRO 35 Cb -0.06 -5.12 -0.14 0.00 0.04 0.00 0.00 34.50 29.22 2dku s PRO 35 CO 0.05 -3.57 1.25 0.00 0.04 0.00 0.00 177.00 174.77 2dku n ALA 36 N 14.08 0.59 0.07 8.56 0.00 -1.26 -4.42 120.51 138.12 2dku n ALA 36 Ca 0.42 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 54.13 2dku n ALA 36 Cb 0.47 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 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 3.14 0.40 -2.53 0.00 0.00 -1.87 -3.47 119.26 114.93 2dku h ALA 37 Ca -0.44 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 53.63 2dku h ALA 37 Cb 1.30 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 2dku h ALA 37 CO 0.68 0.82 -0.69 -0.08 0.00 0.00 0.00 179.25 179.98 2dku s THR 38 N -3.29 0.18 -0.06 0.00 -1.32 -1.26 -4.95 115.64 104.95 2dku s THR 38 Ca -0.05 -1.46 -0.03 0.00 -1.21 0.00 0.00 61.69 58.94 2dku s THR 38 Cb 0.09 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 2dku s THR 38 CO 0.86 -0.80 0.13 -0.69 -2.21 0.00 0.00 174.62 171.91 2dku s VAL 39 N -2.96 -0.04 -0.33 5.08 1.01 -1.26 -4.52 120.40 117.38 2dku s VAL 39 Ca -0.02 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.14 2dku s VAL 39 Cb 0.01 -0.22 0.10 0.00 0.00 0.00 0.00 36.38 36.27 2dku s VAL 39 CO -0.06 0.06 0.06 -0.89 0.00 0.00 0.00 175.10 174.27 2dku s THR 40 N 1.01 1.73 0.50 3.92 2.01 0.20 -4.99 115.64 120.03 2dku s THR 40 Ca -0.08 -1.96 -0.20 0.00 0.31 0.00 0.00 61.69 59.76 2dku s THR 40 Cb -0.10 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.06 2dku s THR 40 CO -0.05 -0.61 1.09 0.26 -0.69 0.00 0.00 174.62 174.62 2dku s TRP 41 N 1.18 2.86 -0.00 4.92 0.52 -1.26 -2.44 118.94 124.71 2dku s TRP 41 Ca 0.10 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.80 2dku s TRP 41 Cb -0.18 -3.20 -0.01 0.00 -1.15 0.00 0.00 33.47 28.93 2dku s TRP 41 CO -0.14 -1.21 -0.06 0.50 0.02 0.00 0.00 176.95 176.05 2dku s ARG 42 N -3.15 0.50 -0.05 4.98 3.52 0.24 -1.55 118.95 123.45 2dku s ARG 42 Ca 0.69 -0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 56.05 2dku s ARG 42 Cb -0.21 -0.48 0.03 0.00 -1.56 0.00 0.00 34.95 32.72 2dku s ARG 42 CO 0.25 0.13 0.02 0.21 -0.81 0.00 0.00 175.30 175.10 2dku s LYS 43 N -0.16 0.31 -1.28 5.12 2.20 0.70 0.54 119.74 127.16 2dku s LYS 43 Ca 0.02 0.18 -0.07 0.00 -0.36 0.00 0.00 55.97 55.74 2dku s LYS 43 Cb -0.02 -0.68 -0.00 0.00 -1.51 0.00 0.00 37.83 35.61 2dku s LYS 43 CO -0.00 -0.26 0.63 0.41 -0.36 0.00 0.00 175.35 175.77 2dku n GLY 44 N 4.87 -0.52 2.61 5.54 0.00 -1.12 -0.68 105.19 115.89 2dku n GLY 44 Ca -0.12 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.26 -1.80 -4.05 0.99 4.77 -1.26 -4.97 117.00 106.42 2dku n LEU 45 Ca -0.23 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.49 2dku n LEU 45 Cb 0.65 -2.64 -0.16 0.00 -2.33 0.00 0.00 43.42 38.94 2dku n LEU 45 CO 0.70 -0.08 -0.46 -0.22 -1.33 0.00 0.00 177.39 176.00 2dku s LEU 46 N -6.07 1.81 -0.06 2.23 2.96 0.14 -5.12 118.68 114.57 2dku s LEU 46 Ca 0.09 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 2dku s LEU 46 Cb -0.04 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 2dku s LEU 46 CO 0.11 0.09 1.01 -0.70 -1.32 0.00 0.00 176.35 175.54 2dku s GLU 47 N 0.20 4.47 0.16 1.98 2.12 -1.26 -0.22 118.70 126.15 2dku s GLU 47 Ca -0.05 1.42 -0.08 0.00 0.36 0.00 0.00 54.97 56.62 2dku s GLU 47 Cb -0.10 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 2dku s GLU 47 CO 0.01 -0.23 0.46 -0.51 -0.54 0.00 0.00 175.26 174.45 2dku s LEU 48 N 1.66 4.25 0.01 2.70 1.43 -0.59 -4.94 118.68 123.20 2dku s LEU 48 Ca 0.50 0.79 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 2dku s LEU 48 Cb -0.20 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2dku s LEU 48 CO 0.22 0.04 -0.19 0.00 0.23 0.00 0.00 176.35 176.65 2dku s ARG 49 N -2.50 1.39 -0.46 1.70 1.70 -1.26 -4.55 118.95 114.97 2dku s ARG 49 Ca 0.41 -0.76 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 2dku s ARG 49 Cb -0.12 -1.41 -0.09 0.00 -0.57 0.00 0.00 34.95 32.76 2dku s ARG 49 CO 0.21 0.37 2.37 0.00 -1.08 0.00 0.00 175.30 177.18 2dku n ALA 50 N 2.30 1.02 -3.41 7.88 0.00 -1.23 -4.39 120.51 122.67 2dku n ALA 50 Ca -0.16 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.61 2dku n ALA 50 Cb 0.54 -2.93 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 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 10.18 0.27 0.33 0.00 0.01 0.51 -4.95 113.70 120.04 2dku s SER 51 Ca 1.05 -1.17 0.09 0.00 1.31 0.00 0.00 55.95 57.23 2dku s SER 51 Cb -0.44 0.74 0.98 0.00 0.21 0.00 0.00 66.02 67.50 2dku s SER 51 CO 0.34 -1.44 1.60 1.23 0.41 0.00 0.00 173.24 175.38 2dku h GLY 52 N 2.08 1.70 0.02 3.44 0.00 -1.99 -2.43 103.07 105.88 2dku h GLY 52 Ca -0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2dku h GLY 52 CO 0.37 -0.58 -0.01 1.70 0.00 0.00 0.00 176.54 178.03 2dku h LYS 53 N 0.08 -0.02 -4.06 4.80 1.63 -1.90 -3.42 116.57 113.68 2dku h LYS 53 Ca 0.69 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 59.73 2dku h LYS 53 Cb 1.59 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.95 2dku h LYS 53 CO -0.78 -0.01 -0.21 -1.01 -3.45 0.00 0.00 179.45 173.98 2dku s HIS 54 N -2.04 3.42 -0.71 1.91 3.76 -0.94 -3.51 115.29 117.19 2dku s HIS 54 Ca -0.00 -1.70 -0.02 0.00 -0.15 0.00 0.00 55.06 53.18 2dku s HIS 54 Cb 0.00 -3.68 0.18 0.00 1.11 0.00 0.00 32.58 30.19 2dku s HIS 54 CO 0.01 -1.00 0.55 -1.14 -0.85 0.00 0.00 174.74 172.31 2dku s GLN 55 N 1.11 2.77 1.16 1.40 2.00 -1.08 -0.37 119.66 126.66 2dku s GLN 55 Ca 0.08 -2.82 -0.18 0.00 -2.00 0.00 0.00 55.36 50.44 2dku s GLN 55 Cb -0.24 -3.78 0.27 0.00 0.80 0.00 0.00 33.01 30.06 2dku s GLN 55 CO -0.01 -1.21 1.11 -1.25 -0.50 0.00 0.00 175.29 173.43 2dku s PRO 56 N -0.56 -0.86 0.31 1.67 0.04 -1.26 -3.37 135.00 130.97 2dku s PRO 56 Ca 0.21 0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 2dku s PRO 56 Cb -0.15 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2dku s PRO 56 CO -0.07 -3.50 0.49 -1.12 0.04 0.00 0.00 177.00 172.84 2dku s SER 57 N -3.79 0.53 -0.22 6.66 0.01 -0.84 -4.93 113.70 111.12 2dku s SER 57 Ca 0.70 -1.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 2dku s SER 57 Cb -0.12 0.65 0.09 0.00 0.21 0.00 0.00 66.02 66.85 2dku s SER 57 CO 0.56 -1.27 0.17 -1.58 0.41 0.00 0.00 173.24 171.54 2dku s GLN 58 N -3.30 0.17 0.40 12.44 2.00 -1.26 -4.21 119.66 125.89 2dku s GLN 58 Ca 0.27 -0.09 0.07 0.00 -2.00 0.00 0.00 55.36 53.62 2dku s GLN 58 Cb -0.01 -1.30 -0.08 0.00 0.80 0.00 0.00 33.01 32.43 2dku s GLN 58 CO 0.16 -0.79 -0.01 -1.21 -0.50 0.00 0.00 175.29 172.94 2dku s GLU 59 N 2.23 1.92 -0.63 1.67 0.41 0.98 -5.02 118.70 120.27 2dku s GLU 59 Ca 0.06 -2.07 -0.34 0.00 -0.41 0.00 0.00 54.97 52.21 2dku s GLU 59 Cb -0.16 -1.62 -0.16 0.00 -1.78 0.00 0.00 34.13 30.41 2dku s GLU 59 CO -0.20 -0.02 2.39 0.41 -0.49 0.00 0.00 175.26 177.35 2dku n GLY 60 N -0.93 -0.04 2.02 -1.39 0.00 -1.26 -0.51 105.19 103.09 2dku n GLY 60 Ca -0.05 1.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.93 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 10.45 -0.43 -3.74 0.99 4.77 -1.26 -4.87 117.00 122.91 2dku n LEU 61 Ca 0.52 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.60 2dku n LEU 61 Cb 0.15 -1.31 -0.17 0.00 -2.33 0.00 0.00 43.42 39.76 2dku n LEU 61 CO 0.84 -0.14 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.52 2dku s THR 62 N -1.91 -0.04 0.22 -5.08 2.01 0.34 -2.21 115.64 108.97 2dku s THR 62 Ca 0.00 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.37 2dku s THR 62 Cb 0.00 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 2dku s THR 62 CO 0.00 0.14 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.17 2dku s LEU 63 N 1.54 2.55 -0.20 4.42 1.43 -0.81 -0.01 118.68 127.60 2dku s LEU 63 Ca -0.03 -1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 51.76 2dku s LEU 63 Cb -0.13 -0.72 0.11 0.00 0.03 0.00 0.00 46.19 45.48 2dku s LEU 63 CO -0.03 -0.16 0.91 0.00 0.23 0.00 0.00 176.35 177.30 2dku s ARG 64 N -3.64 0.68 -0.31 1.70 1.70 -1.26 -0.95 118.95 116.87 2dku s ARG 64 Ca 0.24 0.47 0.03 0.00 -0.47 0.00 0.00 55.73 56.00 2dku s ARG 64 Cb -0.01 0.33 0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2dku s ARG 64 CO 0.08 -0.15 0.01 -1.17 -1.08 0.00 0.00 175.30 173.00 2dku s LEU 65 N -0.39 4.09 -0.14 -1.89 2.96 -0.94 -1.98 118.68 120.39 2dku s LEU 65 Ca -0.01 -1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 2dku s LEU 65 Cb -0.03 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2dku s LEU 65 CO 0.00 -0.33 1.26 -0.89 -1.32 0.00 0.00 176.35 175.07 2dku s THR 66 N 1.05 4.26 -0.11 3.68 2.01 -1.22 -2.43 115.64 122.87 2dku s THR 66 Ca 0.05 1.53 0.03 0.00 0.31 0.00 0.00 61.69 63.62 2dku s THR 66 Cb -0.19 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.34 2dku s THR 66 CO -0.09 -0.11 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.87 2dku s ILE 67 N 3.27 2.02 0.37 1.82 1.01 0.58 -2.69 121.20 127.57 2dku s ILE 67 Ca 0.55 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2dku s ILE 67 Cb -0.23 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2dku s ILE 67 CO 0.16 0.55 -0.04 -0.55 0.00 0.00 0.00 174.94 175.06 2dku s SER 68 N 0.51 3.64 -1.14 3.58 0.15 -1.23 0.19 113.70 119.40 2dku s SER 68 Ca -0.15 -1.29 -0.06 0.00 0.70 0.00 0.00 55.95 55.16 2dku s SER 68 Cb -0.17 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 2dku s SER 68 CO 0.05 -0.35 0.77 0.00 1.20 0.00 0.00 173.24 174.92 2dku n ALA 69 N -0.85 -0.94 -0.54 5.45 0.00 -1.13 -4.91 120.51 117.59 2dku n ALA 69 Ca -0.05 0.29 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 2dku n ALA 69 Cb 0.65 -4.03 0.18 0.00 0.00 0.00 0.00 19.45 16.26 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 -3.78 -1.67 -3.62 0.00 4.77 -1.26 -4.60 117.00 106.84 2dku n LEU 70 Ca -0.03 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.56 2dku n LEU 70 Cb 0.57 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2dku n LEU 70 CO 0.46 -3.36 0.99 -1.83 -1.33 0.00 0.00 177.39 172.32 2dku s GLU 71 N -3.71 0.28 0.60 3.23 -1.05 -1.26 -1.39 118.70 115.41 2dku s GLU 71 Ca 0.50 0.12 0.31 0.00 -0.15 0.00 0.00 54.97 55.75 2dku s GLU 71 Cb -0.10 0.14 1.07 0.00 -0.44 0.00 0.00 34.13 34.79 2dku s GLU 71 CO 0.52 -0.08 1.35 0.87 0.95 0.00 0.00 175.26 178.87 2dku h LYS 72 N 2.54 0.00 0.11 -4.83 1.57 -1.93 0.68 116.57 114.71 2dku h LYS 72 Ca -0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2dku h LYS 72 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2dku h LYS 72 CO 0.24 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 179.07 2dku h ALA 73 N 0.61 -0.15 -0.96 3.86 0.00 -1.94 -3.23 119.26 117.45 2dku h ALA 73 Ca 0.58 -0.25 0.39 0.00 0.00 0.00 0.00 54.91 55.63 2dku h ALA 73 Cb 3.10 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 20.77 2dku h ALA 73 CO -0.01 -0.28 0.48 -0.25 0.00 0.00 0.00 179.25 179.20 2dku n ASP 74 N -4.89 0.30 -4.49 0.00 8.00 0.24 -4.37 116.55 111.34 2dku n ASP 74 Ca -0.08 1.60 -0.38 0.00 0.71 0.00 0.00 54.79 56.64 2dku n ASP 74 Cb 0.28 -0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dku n SER 75 N -5.20 0.02 -3.41 -2.24 7.64 -1.21 -4.77 113.62 104.45 2dku n SER 75 Ca 0.36 0.07 -0.06 0.00 1.01 0.00 0.00 58.87 60.25 2dku n SER 75 Cb 1.20 -0.86 0.01 0.00 -1.01 0.00 0.00 64.21 63.55 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 7.62 -0.09 -0.30 6.43 1.01 -1.26 -5.00 116.67 125.08 2dku s ASP 76 Ca 1.35 -0.74 -0.23 0.00 0.71 0.00 0.00 52.55 53.63 2dku s ASP 76 Cb -1.20 0.65 -0.00 0.00 1.01 0.00 0.00 42.92 43.38 2dku s ASP 76 CO 0.50 -1.25 0.79 -0.89 0.21 0.00 0.00 175.17 174.53 2dku s THR 77 N -2.79 4.80 0.44 -1.27 2.01 -1.26 -3.48 115.64 114.09 2dku s THR 77 Ca 0.16 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.37 2dku s THR 77 Cb -0.04 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 2dku s THR 77 CO 0.07 -0.23 0.66 -0.31 -0.69 0.00 0.00 174.62 174.12 2dku s TYR 78 N 2.93 3.20 -0.21 4.92 1.51 -1.01 -2.78 117.35 125.93 2dku s TYR 78 Ca 0.32 0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 56.51 2dku s TYR 78 Cb -0.14 -2.30 0.10 0.00 -0.11 0.00 0.00 41.96 39.51 2dku s TYR 78 CO 0.12 -0.34 0.42 0.99 -1.11 0.00 0.00 175.55 175.63 2dku s THR 79 N -2.53 -0.66 -0.44 -0.71 2.01 0.19 -3.13 115.64 110.38 2dku s THR 79 Ca 0.48 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.46 2dku s THR 79 Cb -0.10 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.76 2dku s THR 79 CO 0.37 0.04 0.35 0.00 -0.69 0.00 0.00 174.62 174.70 2dku s ASP 81 N 2.05 6.58 -0.02 0.00 -1.08 -1.02 -1.91 116.67 121.27 2dku s ASP 81 Ca 0.05 0.70 0.09 0.00 -0.52 0.00 0.00 52.55 52.87 2dku s ASP 81 Cb -0.21 -2.17 -0.15 0.00 -1.46 0.00 0.00 42.92 38.94 2dku s ASP 81 CO 0.09 0.32 0.19 2.30 0.52 0.00 0.00 175.17 178.59 2dku n ILE 82 N 2.17 0.07 0.00 4.11 -5.35 -0.81 -0.63 119.36 118.92 2dku n ILE 82 Ca -0.16 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2dku n ILE 82 Cb 0.53 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 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 2.01 3.05 0.00 3.28 0.00 -1.26 -4.47 105.19 107.80 2dku n GLY 83 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2dku n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dku n GLN 84 N 0.00 2.41 -4.23 1.61 -0.06 -1.26 -5.08 117.38 110.77 2dku n GLN 84 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 2dku n GLN 84 Cb 0.00 -0.98 -0.10 0.00 -4.06 0.00 0.00 30.24 25.10 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 -1.94 1.30 -0.07 1.69 0.00 -1.26 -4.90 121.76 116.58 2dku s ALA 85 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.09 2dku s ALA 85 Cb 0.00 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.36 2dku s ALA 85 CO 0.00 -0.53 0.36 -0.65 0.00 0.00 0.00 175.76 174.94 2dku s GLN 86 N -4.11 0.61 0.57 0.00 1.11 -1.26 -1.93 119.66 114.65 2dku s GLN 86 Ca 0.37 0.12 0.08 0.00 0.01 0.00 0.00 55.36 55.94 2dku s GLN 86 Cb 0.07 0.28 0.08 0.00 -1.01 0.00 0.00 33.01 32.43 2dku s GLN 86 CO 0.11 -0.14 0.62 0.45 0.01 0.00 0.00 175.29 176.34 2dku n SER 87 N 1.88 2.42 -3.66 5.90 2.88 -0.80 -4.90 113.62 117.33 2dku n SER 87 Ca -0.18 -2.71 -0.14 0.00 -1.33 0.00 0.00 58.87 54.51 2dku n SER 87 Cb 0.57 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 2dku n SER 87 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dku s ARG 88 N -4.47 0.72 -0.05 -1.46 0.52 -1.26 -3.06 118.95 109.89 2dku s ARG 88 Ca 0.47 0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 56.15 2dku s ARG 88 Cb -0.04 0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.82 2dku s ARG 88 CO 0.30 -0.12 0.41 0.00 0.02 0.00 0.00 175.30 175.91 2dku s ALA 89 N -0.02 -1.04 -0.22 2.13 0.00 -1.18 -4.43 121.76 116.98 2dku s ALA 89 Ca -0.03 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 2dku s ALA 89 Cb -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2dku s ALA 89 CO 0.02 -0.27 0.14 -0.65 0.00 0.00 0.00 175.76 175.01 2dku s GLN 90 N -0.99 4.11 0.04 0.00 -0.21 -1.26 -2.39 119.66 118.95 2dku s GLN 90 Ca -0.10 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.03 2dku s GLN 90 Cb -0.04 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 2dku s GLN 90 CO 0.05 0.15 0.11 -1.17 -2.12 0.00 0.00 175.29 172.31 2dku s LEU 91 N 0.78 3.96 -0.13 2.90 2.96 -1.23 -2.59 118.68 125.35 2dku s LEU 91 Ca 0.07 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 2dku s LEU 91 Cb -0.13 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.09 2dku s LEU 91 CO 0.02 0.21 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.99 2dku s LEU 92 N -2.17 1.21 -0.82 -0.68 2.96 0.08 -4.19 118.68 115.07 2dku s LEU 92 Ca 0.28 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 2dku s LEU 92 Cb -0.12 -0.77 0.22 0.00 0.50 0.00 0.00 46.19 46.01 2dku s LEU 92 CO 0.20 -0.17 0.76 -0.69 -1.32 0.00 0.00 176.35 175.13 2dku s VAL 93 N 1.74 5.57 0.29 1.68 1.01 -1.25 -1.29 120.40 128.15 2dku s VAL 93 Ca 0.03 -2.48 -0.30 0.00 0.00 0.00 0.00 61.98 59.23 2dku s VAL 93 Cb -0.14 -4.44 -0.12 0.00 0.00 0.00 0.00 36.38 31.68 2dku s VAL 93 CO -0.07 -1.02 1.53 0.00 0.00 0.00 0.00 175.10 175.54 2dku n GLN 94 N 3.96 2.52 -1.91 2.72 6.02 0.18 -4.52 117.38 126.35 2dku n GLN 94 Ca 0.13 0.90 -0.41 0.00 -0.01 0.00 0.00 57.00 57.61 2dku n GLN 94 Cb 0.47 -2.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 2dku n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dku s GLY 95 N 0.39 0.45 0.00 1.08 0.00 -1.26 -0.43 107.32 107.55 2dku s GLY 95 Ca 0.64 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.41 2dku s GLY 95 CO 0.50 3.47 0.81 -2.13 0.00 0.00 0.00 173.10 175.76 2dku n ARG 96 N 8.73 0.00 -3.86 2.90 0.63 -1.26 -4.71 116.66 119.10 2dku n ARG 96 Ca 0.25 0.36 -0.29 0.00 -0.92 0.00 0.00 57.85 57.24 2dku n ARG 96 Cb 0.49 -1.33 -0.16 0.00 0.45 0.00 0.00 32.46 31.91 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 -2.35 1.22 0.84 -0.14 6.06 -1.26 -5.07 118.95 118.25 2dku s ARG 97 Ca 0.00 -0.76 -0.15 0.00 -2.50 0.00 0.00 55.73 52.33 2dku s ARG 97 Cb 0.00 -2.40 -0.01 0.00 0.06 0.00 0.00 34.95 32.60 2dku s ARG 97 CO 0.00 -0.62 0.40 0.43 -2.50 0.00 0.00 175.30 173.01 2dku n SER 98 N 4.83 -1.89 0.00 -2.12 7.64 -1.26 -4.88 113.62 115.94 2dku n SER 98 Ca -0.11 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dku n SER 98 Cb 0.45 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2dku n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dku n GLY 99 N 1.69 2.74 3.77 0.23 0.00 -1.26 -5.04 105.19 107.31 2dku n GLY 99 Ca 0.08 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.27 4.30 -0.73 1.61 0.04 -1.26 -4.99 135.00 130.71 2dku s PRO 100 Ca 0.00 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 2dku s PRO 100 Cb 0.00 -2.95 0.19 0.00 0.04 0.00 0.00 34.50 31.78 2dku s PRO 100 CO 0.00 -0.15 0.68 -1.12 0.04 0.00 0.00 177.00 176.44 2dku s SER 101 N -0.81 6.56 -0.11 6.66 0.01 -1.26 -5.04 113.70 119.70 2dku s SER 101 Ca 0.51 -2.36 -0.02 0.00 1.31 0.00 0.00 55.95 55.39 2dku s SER 101 Cb -0.35 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2dku s SER 101 CO 0.45 -0.68 -0.02 -0.44 0.41 0.00 0.00 173.24 172.96 2dku s SER 102 N 2.69 5.04 0.00 2.44 0.01 -1.26 -5.33 113.70 117.29 2dku s SER 102 Ca 0.13 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2dku s SER 102 Cb -0.17 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2dku s SER 102 CO -0.05 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.52