#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 4.72 -1.43 1.61 0.01 -1.26 -4.56 113.70 112.79 2dku s SER 2 Ca 0.00 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 2dku s SER 2 Cb 0.00 -1.10 0.03 0.00 0.21 0.00 0.00 66.02 65.16 2dku s SER 2 CO 0.00 0.25 1.04 -0.24 0.41 0.00 0.00 173.24 174.71 2dku n SER 3 N 1.28 -5.85 -4.54 2.44 2.88 -1.26 -4.99 113.62 103.58 2dku n SER 3 Ca -0.14 -0.58 -0.25 0.00 -1.33 0.00 0.00 58.87 56.57 2dku n SER 3 Cb 0.52 -4.64 -0.09 0.00 -0.75 0.00 0.00 64.21 59.25 2dku n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dku s GLY 4 N -3.22 1.74 -0.16 0.46 0.00 -1.26 -5.07 107.32 99.80 2dku s GLY 4 Ca 0.58 -1.64 -0.13 0.00 0.00 0.00 0.00 44.72 43.53 2dku s GLY 4 CO 0.71 -1.68 -0.24 -1.14 0.00 0.00 0.00 173.10 170.75 2dku n SER 5 N -0.31 1.87 -4.73 1.64 3.41 -1.26 -4.93 113.62 109.32 2dku n SER 5 Ca -0.09 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.61 2dku n SER 5 Cb 0.57 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2dku n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dku s SER 6 N -5.91 7.37 -0.08 4.04 1.04 -1.26 -5.04 113.70 113.86 2dku s SER 6 Ca -0.22 1.88 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 2dku s SER 6 Cb 0.03 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.61 2dku s SER 6 CO 0.33 -0.18 0.18 -0.83 0.98 0.00 0.00 173.24 173.73 2dku s GLY 7 N 0.20 -0.07 0.21 7.32 0.00 -1.26 -5.07 107.32 108.65 2dku s GLY 7 Ca 0.49 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.72 2dku s GLY 7 CO 0.31 1.10 0.79 0.00 0.00 0.00 0.00 173.10 175.29 2dku n ALA 8 N 4.23 -1.88 -2.68 3.20 0.00 -1.26 -4.97 120.51 117.15 2dku n ALA 8 Ca -0.26 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 2dku n ALA 8 Cb 0.52 -1.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.67 5.11 0.25 0.00 3.84 -1.26 -5.02 114.94 117.19 2dku s ASN 9 Ca 0.65 -0.47 -0.08 0.00 0.21 0.00 0.00 52.86 53.18 2dku s ASN 9 Cb -0.88 -1.09 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 2dku s ASN 9 CO 0.57 -0.12 0.40 0.00 -2.79 0.00 0.00 177.10 175.16 2dku s PHE 11 N -3.89 3.13 0.10 0.00 0.40 -1.26 -1.09 117.98 115.36 2dku s PHE 11 Ca 0.28 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2dku s PHE 11 Cb 0.01 -2.29 -0.21 0.00 0.51 0.00 0.00 43.02 41.04 2dku s PHE 11 CO 0.12 -0.32 1.20 1.79 0.70 0.00 0.00 175.22 178.71 2dku h THR 12 N 5.51 1.45 -3.17 0.64 1.35 -1.82 -3.42 112.91 113.46 2dku h THR 12 Ca -0.37 -2.81 -0.59 0.00 -0.55 0.00 0.00 66.41 62.09 2dku h THR 12 Cb 1.18 2.75 -0.40 0.00 -1.73 0.00 0.00 68.15 69.94 2dku h THR 12 CO 0.57 0.83 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.31 2dku s GLU 13 N -2.89 0.79 0.84 4.72 2.02 -1.26 -5.02 118.70 117.91 2dku s GLU 13 Ca -0.05 -1.19 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 2dku s GLU 13 Cb 0.08 -2.08 0.10 0.00 0.10 0.00 0.00 34.13 32.33 2dku s GLU 13 CO 0.88 -1.00 1.18 -1.21 0.02 0.00 0.00 175.26 175.13 2dku s GLU 14 N 1.49 1.43 0.71 1.61 2.02 -1.26 -2.14 118.70 122.55 2dku s GLU 14 Ca 0.10 1.67 -0.11 0.00 0.02 0.00 0.00 54.97 56.65 2dku s GLU 14 Cb -0.18 -1.76 0.18 0.00 0.10 0.00 0.00 34.13 32.47 2dku s GLU 14 CO -0.22 -2.35 0.40 1.28 0.02 0.00 0.00 175.26 174.39 2dku n LEU 15 N -3.64 0.00 -3.55 1.80 4.77 -1.26 -4.86 117.00 110.26 2dku n LEU 15 Ca 0.13 -0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 55.56 2dku n LEU 15 Cb 0.51 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 41.00 2dku n LEU 15 CO 0.49 -2.13 -0.13 0.28 -1.33 0.00 0.00 177.39 174.57 2dku s THR 16 N -1.51 -0.44 0.00 -5.08 -1.32 -1.26 -4.99 115.64 101.05 2dku s THR 16 Ca 0.31 0.08 -0.33 0.00 -1.21 0.00 0.00 61.69 60.54 2dku s THR 16 Cb -0.05 -0.60 -0.17 0.00 -1.51 0.00 0.00 72.50 70.17 2dku s THR 16 CO 0.26 -0.03 0.87 0.59 -2.21 0.00 0.00 174.62 174.10 2dku n ASN 17 N 5.35 -0.03 -4.69 8.08 3.02 -1.26 -4.84 115.26 120.88 2dku n ASN 17 Ca -0.06 0.96 -0.27 0.00 -0.03 0.00 0.00 54.58 55.19 2dku n ASN 17 Cb 0.50 -0.76 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.06 3.41 -0.18 3.41 1.43 -0.03 -4.94 118.68 121.85 2dku s LEU 18 Ca 0.75 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 2dku s LEU 18 Cb -1.04 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 43.18 2dku s LEU 18 CO 0.47 0.09 0.14 -1.10 0.23 0.00 0.00 176.35 176.18 2dku s GLN 19 N -2.91 0.10 0.22 1.70 -0.21 -1.26 -1.72 119.66 115.58 2dku s GLN 19 Ca 0.28 0.04 -0.08 0.00 0.02 0.00 0.00 55.36 55.62 2dku s GLN 19 Cb -0.10 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.34 2dku s GLN 19 CO 0.19 -0.65 0.33 0.08 -2.12 0.00 0.00 175.29 173.13 2dku s VAL 20 N 2.21 0.01 0.69 1.09 1.01 -0.18 -4.98 120.40 120.24 2dku s VAL 20 Ca 0.04 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 2dku s VAL 20 Cb -0.16 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2dku s VAL 20 CO -0.10 -0.04 1.08 -1.61 0.00 0.00 0.00 175.10 174.43 2dku s GLU 21 N -4.06 3.02 0.62 2.72 8.01 -1.26 0.01 118.70 127.76 2dku s GLU 21 Ca 0.27 0.55 -0.18 0.00 0.01 0.00 0.00 54.97 55.63 2dku s GLU 21 Cb 0.02 -2.03 -0.02 0.00 -4.31 0.00 0.00 34.13 27.79 2dku s GLU 21 CO 0.09 -0.94 1.20 -1.83 0.01 0.00 0.00 175.26 173.79 2dku s GLU 22 N -5.30 2.84 -1.48 1.61 -1.05 -0.07 -2.96 118.70 112.29 2dku s GLU 22 Ca 0.57 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 57.16 2dku s GLU 22 Cb -0.11 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2dku s GLU 22 CO 0.52 -1.29 0.00 1.63 0.95 0.00 0.00 175.26 177.07 2dku n LYS 23 N -1.83 -1.36 0.00 -4.83 4.76 0.15 -4.77 118.16 110.28 2dku n LYS 23 Ca 0.13 0.84 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 2dku n LYS 23 Cb 0.50 -5.29 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 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 -1.01 0.53 3.15 0.72 0.00 -1.15 -4.54 105.19 102.88 2dku n GLY 24 Ca -0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 3.24 -0.73 -0.22 2.61 2.01 -1.26 -3.32 115.64 117.98 2dku s THR 25 Ca 0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2dku s THR 25 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2dku s THR 25 CO 0.00 0.00 0.02 0.00 -0.69 0.00 0.00 174.62 173.95 2dku s ALA 26 N 2.89 3.04 -0.38 7.40 0.00 0.77 -4.89 121.76 130.58 2dku s ALA 26 Ca 0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2dku s ALA 26 Cb -0.11 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.23 2dku s ALA 26 CO -0.20 -0.34 0.14 0.08 0.00 0.00 0.00 175.76 175.44 2dku s VAL 27 N 1.34 3.05 -0.69 0.00 1.01 -1.26 0.76 120.40 124.61 2dku s VAL 27 Ca 0.04 -1.99 -0.26 0.00 0.00 0.00 0.00 61.98 59.77 2dku s VAL 27 Cb -0.15 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2dku s VAL 27 CO 0.01 -0.57 1.64 -0.36 0.00 0.00 0.00 175.10 175.82 2dku s PHE 28 N 1.12 1.93 -0.01 5.22 0.08 -0.88 -4.80 117.98 120.63 2dku s PHE 28 Ca 0.06 0.41 -0.21 0.00 0.12 0.00 0.00 56.93 57.32 2dku s PHE 28 Cb -0.22 -4.31 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 2dku s PHE 28 CO -0.04 -2.18 0.60 0.95 -0.10 0.00 0.00 175.22 174.44 2dku s THR 29 N 7.76 4.93 0.32 0.64 -4.23 -1.26 -2.43 115.64 121.37 2dku s THR 29 Ca 0.55 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 62.31 2dku s THR 29 Cb -0.10 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 2dku s THR 29 CO 0.16 0.40 0.38 0.00 -0.54 0.00 0.00 174.62 175.03 2dku s LYS 31 N -3.34 0.94 0.05 0.00 2.20 -0.91 -1.61 119.74 117.07 2dku s LYS 31 Ca 0.34 -1.35 -0.08 0.00 -0.36 0.00 0.00 55.97 54.52 2dku s LYS 31 Cb 0.01 0.27 -0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2dku s LYS 31 CO 0.21 -0.28 0.16 0.95 -0.36 0.00 0.00 175.35 176.03 2dku s THR 32 N -4.01 0.13 0.20 3.43 -4.23 -0.63 -3.44 115.64 107.08 2dku s THR 32 Ca 0.21 -1.07 0.12 0.00 -1.18 0.00 0.00 61.69 59.76 2dku s THR 32 Cb 0.07 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 2dku s THR 32 CO -0.00 -0.59 1.56 -0.08 -0.54 0.00 0.00 174.62 174.97 2dku h GLU 33 N 3.28 0.00 -5.10 3.99 4.81 -1.43 -3.43 114.58 116.70 2dku h GLU 33 Ca -0.33 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.55 2dku h GLU 33 Cb 1.19 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.38 2dku h GLU 33 CO 0.52 0.63 -0.75 -1.01 -0.73 0.00 0.00 179.01 177.68 2dku s HIS 34 N -3.40 1.13 -0.90 0.92 3.76 -1.26 -5.02 115.29 110.52 2dku s HIS 34 Ca -0.00 -0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 2dku s HIS 34 Cb 0.11 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 33.14 2dku s HIS 34 CO 0.76 0.04 1.95 -1.25 -0.85 0.00 0.00 174.74 175.38 2dku s PRO 35 N -2.45 2.55 -0.15 8.40 0.04 -1.26 -4.89 135.00 137.24 2dku s PRO 35 Ca 0.03 -0.29 -0.35 0.00 0.04 0.00 0.00 61.00 60.43 2dku s PRO 35 Cb -0.05 -5.06 -0.12 0.00 0.04 0.00 0.00 34.50 29.30 2dku s PRO 35 CO 0.01 -3.39 1.90 0.00 0.04 0.00 0.00 177.00 175.57 2dku n ALA 36 N 14.00 0.76 0.30 8.56 0.00 -1.26 -4.82 120.51 138.04 2dku n ALA 36 Ca 0.40 0.25 0.17 0.00 0.00 0.00 0.00 53.44 54.26 2dku n ALA 36 Cb 0.47 -2.48 0.92 0.00 0.00 0.00 0.00 19.45 18.36 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 9.40 1.20 -2.46 0.00 0.00 -1.91 -3.43 119.26 122.05 2dku h ALA 37 Ca -0.46 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2dku h ALA 37 Cb 1.28 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.87 2dku h ALA 37 CO 0.96 0.05 -0.23 -0.08 0.00 0.00 0.00 179.25 179.95 2dku s THR 38 N -4.19 0.05 -0.05 0.00 -1.32 -1.26 -5.16 115.64 103.71 2dku s THR 38 Ca -0.03 -0.43 -0.01 0.00 -1.21 0.00 0.00 61.69 60.01 2dku s THR 38 Cb 0.13 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.48 2dku s THR 38 CO 0.52 -0.24 0.01 -0.69 -2.21 0.00 0.00 174.62 172.01 2dku s VAL 39 N -1.35 0.24 -0.39 5.08 1.01 -1.26 -4.39 120.40 119.34 2dku s VAL 39 Ca -0.13 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2dku s VAL 39 Cb -0.05 -0.39 0.11 0.00 0.00 0.00 0.00 36.38 36.05 2dku s VAL 39 CO 0.05 0.21 0.15 -0.89 0.00 0.00 0.00 175.10 174.62 2dku s THR 40 N 1.71 2.90 0.41 3.92 2.01 0.32 -4.97 115.64 121.94 2dku s THR 40 Ca 0.00 -2.21 -0.23 0.00 0.31 0.00 0.00 61.69 59.56 2dku s THR 40 Cb -0.13 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2dku s THR 40 CO -0.03 -0.66 1.04 0.26 -0.69 0.00 0.00 174.62 174.53 2dku s TRP 41 N 1.00 3.23 -0.04 4.92 0.52 -1.26 -2.46 118.94 124.85 2dku s TRP 41 Ca 0.10 1.63 0.03 0.00 0.02 0.00 0.00 56.10 57.88 2dku s TRP 41 Cb -0.21 -3.09 0.01 0.00 -1.15 0.00 0.00 33.47 29.02 2dku s TRP 41 CO -0.06 -0.61 -0.12 0.50 0.02 0.00 0.00 176.95 176.68 2dku s ARG 42 N -2.66 1.43 -0.19 4.98 3.52 0.22 -0.30 118.95 125.95 2dku s ARG 42 Ca 0.60 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 2dku s ARG 42 Cb -0.20 -1.25 0.03 0.00 -1.56 0.00 0.00 34.95 31.97 2dku s ARG 42 CO 0.25 0.11 -0.17 0.21 -0.81 0.00 0.00 175.30 174.90 2dku s LYS 43 N 0.34 2.66 -0.93 5.12 2.20 0.19 -0.53 119.74 128.79 2dku s LYS 43 Ca -0.08 -0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 54.56 2dku s LYS 43 Cb -0.12 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 2dku s LYS 43 CO 0.02 -0.30 0.69 0.41 -0.36 0.00 0.00 175.35 175.81 2dku n GLY 44 N 4.62 -1.16 3.01 5.54 0.00 -1.18 -1.09 105.19 114.91 2dku n GLY 44 Ca -0.19 0.51 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.09 -1.56 -4.08 0.99 4.77 -1.26 -4.94 117.00 107.82 2dku n LEU 45 Ca -0.16 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 2dku n LEU 45 Cb 0.61 -2.24 -0.12 0.00 -2.33 0.00 0.00 43.42 39.34 2dku n LEU 45 CO 0.63 0.07 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.12 2dku s LEU 46 N -6.22 2.20 -0.16 2.23 0.20 -0.25 -5.13 118.68 111.55 2dku s LEU 46 Ca 0.25 -0.47 -0.23 0.00 0.69 0.00 0.00 54.13 54.37 2dku s LEU 46 Cb -0.13 -0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 2dku s LEU 46 CO 0.31 -0.09 0.73 -0.70 -0.29 0.00 0.00 176.35 176.31 2dku s GLU 47 N -1.29 4.29 0.36 1.98 2.12 -1.26 0.55 118.70 125.45 2dku s GLU 47 Ca -0.04 0.85 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 2dku s GLU 47 Cb -0.08 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2dku s GLU 47 CO 0.01 -0.22 0.60 -0.51 -0.54 0.00 0.00 175.26 174.59 2dku s LEU 48 N 1.81 3.94 -0.05 2.70 1.43 0.60 -4.87 118.68 124.23 2dku s LEU 48 Ca 0.35 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 2dku s LEU 48 Cb -0.16 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2dku s LEU 48 CO 0.13 -0.33 0.17 0.00 0.23 0.00 0.00 176.35 176.55 2dku s ARG 49 N -4.23 0.27 -0.63 1.70 3.03 -1.26 -4.53 118.95 113.30 2dku s ARG 49 Ca 0.42 0.10 -0.34 0.00 2.03 0.00 0.00 55.73 57.95 2dku s ARG 49 Cb -0.10 0.13 -0.16 0.00 -1.03 0.00 0.00 34.95 33.79 2dku s ARG 49 CO 0.36 -0.05 2.41 0.00 -1.13 0.00 0.00 175.30 176.89 2dku n ALA 50 N 2.63 0.59 -2.74 7.88 0.00 -1.24 -4.54 120.51 123.09 2dku n ALA 50 Ca -0.15 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 2dku n ALA 50 Cb 0.58 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 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 8.61 0.64 0.61 0.00 0.01 0.50 -4.98 113.70 119.09 2dku s SER 51 Ca 1.19 -1.38 0.27 0.00 1.31 0.00 0.00 55.95 57.34 2dku s SER 51 Cb -0.99 0.58 1.35 0.00 0.21 0.00 0.00 66.02 67.17 2dku s SER 51 CO 0.48 -1.14 1.76 1.23 0.41 0.00 0.00 173.24 175.97 2dku h GLY 52 N 2.25 0.00 0.00 3.44 0.00 -1.99 -2.65 103.07 104.11 2dku h GLY 52 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2dku h GLY 52 CO 0.41 0.00 -0.38 1.17 0.00 0.00 0.00 176.54 177.73 2dku n LYS 53 N -3.45 0.34 -3.34 4.80 3.00 -1.26 -4.63 118.16 113.62 2dku n LYS 53 Ca 0.09 0.47 -0.45 0.00 -0.00 0.00 0.00 58.31 58.41 2dku n LYS 53 Cb 0.79 -1.47 -0.05 0.00 0.00 0.00 0.00 35.03 34.29 2dku n LYS 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2dku s HIS 54 N -1.94 3.30 -0.72 5.64 3.76 -1.00 -3.09 115.29 121.24 2dku s HIS 54 Ca -0.11 -1.41 -0.01 0.00 -0.15 0.00 0.00 55.06 53.38 2dku s HIS 54 Cb 0.02 -3.76 0.18 0.00 1.11 0.00 0.00 32.58 30.12 2dku s HIS 54 CO 0.16 -1.01 0.55 -1.14 -0.85 0.00 0.00 174.74 172.45 2dku s GLN 55 N 1.48 2.77 1.13 1.40 2.00 -0.95 -0.37 119.66 127.12 2dku s GLN 55 Ca 0.04 -2.88 -0.17 0.00 -2.00 0.00 0.00 55.36 50.35 2dku s GLN 55 Cb -0.28 -3.75 0.25 0.00 0.80 0.00 0.00 33.01 30.02 2dku s GLN 55 CO 0.02 -1.21 1.10 -1.25 -0.50 0.00 0.00 175.29 173.45 2dku s PRO 56 N -0.67 -0.62 0.35 1.67 0.04 -1.26 -2.95 135.00 131.56 2dku s PRO 56 Ca 0.21 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 2dku s PRO 56 Cb -0.15 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.78 2dku s PRO 56 CO -0.08 -3.36 0.67 0.45 0.04 0.00 0.00 177.00 174.73 2dku s SER 57 N -3.72 0.23 -0.20 6.66 0.15 -0.71 -4.93 113.70 111.17 2dku s SER 57 Ca 0.69 -1.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.13 2dku s SER 57 Cb -0.13 0.77 0.10 0.00 -1.71 0.00 0.00 66.02 65.05 2dku s SER 57 CO 0.57 -1.50 0.28 -1.58 1.20 0.00 0.00 173.24 172.21 2dku s GLN 58 N -2.82 0.24 -0.60 5.44 0.74 -1.26 -4.09 119.66 117.30 2dku s GLN 58 Ca 0.20 0.42 0.05 0.00 0.05 0.00 0.00 55.36 56.08 2dku s GLN 58 Cb -0.04 -0.75 0.31 0.00 1.10 0.00 0.00 33.01 33.63 2dku s GLN 58 CO 0.13 -0.58 0.87 0.39 -0.55 0.00 0.00 175.29 175.55 2dku n GLU 59 N 5.34 2.95 0.00 1.67 1.02 -0.33 -5.03 120.64 126.26 2dku n GLU 59 Ca -0.05 -4.78 0.00 0.00 -0.02 0.00 0.00 57.16 52.31 2dku n GLU 59 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2dku n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dku n GLY 60 N 0.18 1.83 0.96 0.62 0.00 -1.26 -2.75 105.19 104.77 2dku n GLY 60 Ca 0.31 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 3.46 -4.14 0.99 4.77 -1.26 -4.31 117.00 116.51 2dku n LEU 61 Ca 0.00 -2.08 -0.30 0.00 -0.03 0.00 0.00 56.01 53.60 2dku n LEU 61 Cb 0.00 -0.36 -0.17 0.00 -2.33 0.00 0.00 43.42 40.56 2dku n LEU 61 CO 0.00 0.82 -0.53 -0.89 -1.33 0.00 0.00 177.39 175.46 2dku s THR 62 N -1.15 1.79 0.21 -5.08 2.01 -1.11 -1.61 115.64 110.70 2dku s THR 62 Ca 0.35 -0.84 0.11 0.00 0.31 0.00 0.00 61.69 61.62 2dku s THR 62 Cb 0.19 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 2dku s THR 62 CO 0.22 0.50 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.66 2dku s LEU 63 N 0.64 2.48 -0.15 4.42 1.43 -0.63 -1.19 118.68 125.67 2dku s LEU 63 Ca -0.13 -0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 51.78 2dku s LEU 63 Cb -0.16 -1.12 0.07 0.00 0.03 0.00 0.00 46.19 45.01 2dku s LEU 63 CO 0.03 0.09 0.72 0.00 0.23 0.00 0.00 176.35 177.42 2dku s ARG 64 N -2.91 0.94 -0.23 1.70 1.70 -1.26 -0.63 118.95 118.26 2dku s ARG 64 Ca 0.23 0.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.06 2dku s ARG 64 Cb -0.07 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.82 2dku s ARG 64 CO 0.11 -0.22 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.91 2dku s LEU 65 N -0.50 2.34 -0.14 -1.89 2.96 -1.02 -1.75 118.68 118.68 2dku s LEU 65 Ca -0.06 -1.16 -0.29 0.00 -0.22 0.00 0.00 54.13 52.40 2dku s LEU 65 Cb -0.02 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 2dku s LEU 65 CO 0.06 -0.26 1.09 -0.89 -1.32 0.00 0.00 176.35 175.02 2dku s THR 66 N 1.48 4.59 -0.32 3.68 2.01 -1.15 -2.07 115.64 123.86 2dku s THR 66 Ca -0.04 1.89 0.01 0.00 0.31 0.00 0.00 61.69 63.87 2dku s THR 66 Cb -0.18 -4.22 0.08 0.00 0.01 0.00 0.00 72.50 68.19 2dku s THR 66 CO -0.07 -0.07 0.02 -0.63 -0.69 0.00 0.00 174.62 173.17 2dku s ILE 67 N 2.62 2.58 0.40 1.82 1.01 0.23 -2.24 121.20 127.61 2dku s ILE 67 Ca 0.49 -1.88 0.08 0.00 0.00 0.00 0.00 60.65 59.34 2dku s ILE 67 Cb -0.19 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2dku s ILE 67 CO 0.14 -0.34 0.47 -0.44 0.00 0.00 0.00 174.94 174.77 2dku s SER 68 N 1.19 5.46 -1.88 3.58 0.01 -1.18 -0.16 113.70 120.72 2dku s SER 68 Ca 0.01 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2dku s SER 68 Cb -0.20 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.30 2dku s SER 68 CO -0.05 -0.64 0.00 0.00 0.41 0.00 0.00 173.24 172.96 2dku n ALA 69 N -1.68 -0.46 -0.95 1.44 0.00 -1.21 -4.80 120.51 112.85 2dku n ALA 69 Ca 0.05 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 2dku n ALA 69 Cb 0.60 -2.06 0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.59 -4.00 -3.63 0.00 4.77 -1.26 -4.38 117.00 105.90 2dku n LEU 70 Ca -0.22 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.76 2dku n LEU 70 Cb 0.67 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2dku n LEU 70 CO 0.29 -4.23 0.41 -1.83 -1.33 0.00 0.00 177.39 170.70 2dku s GLU 71 N -2.30 1.49 0.51 3.23 -1.05 -1.26 0.29 118.70 119.61 2dku s GLU 71 Ca 0.42 -0.72 0.29 0.00 -0.15 0.00 0.00 54.97 54.81 2dku s GLU 71 Cb -0.07 0.59 1.40 0.00 -0.44 0.00 0.00 34.13 35.61 2dku s GLU 71 CO 0.74 -0.66 1.85 0.87 0.95 0.00 0.00 175.26 179.00 2dku h LYS 72 N 2.02 0.10 -0.02 -4.83 1.57 -1.90 -0.25 116.57 113.27 2dku h LYS 72 Ca -0.28 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2dku h LYS 72 Cb 1.28 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2dku h LYS 72 CO 0.32 0.06 -0.01 0.00 -0.57 0.00 0.00 179.45 179.26 2dku h ALA 73 N 1.53 0.02 -1.79 3.86 0.00 -1.95 -3.06 119.26 117.87 2dku h ALA 73 Ca 0.49 -0.24 0.53 0.00 0.00 0.00 0.00 54.91 55.69 2dku h ALA 73 Cb 1.75 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2dku h ALA 73 CO -0.06 -0.24 1.27 -0.25 0.00 0.00 0.00 179.25 179.97 2dku n ASP 74 N -4.84 0.03 -4.51 0.00 9.92 -0.11 -4.30 116.55 112.75 2dku n ASP 74 Ca -0.08 1.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.76 2dku n ASP 74 Cb 0.25 -0.50 -0.07 0.00 -0.64 0.00 0.00 41.12 40.16 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dku n SER 75 N -3.94 1.83 -3.63 -2.24 7.64 -1.16 -4.80 113.62 107.33 2dku n SER 75 Ca 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2dku n SER 75 Cb 1.85 -1.33 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 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 9.75 0.01 -0.36 6.43 1.01 -1.26 -5.02 116.67 127.24 2dku s ASP 76 Ca 1.11 -0.41 -0.18 0.00 0.71 0.00 0.00 52.55 53.78 2dku s ASP 76 Cb -0.65 0.29 -0.00 0.00 1.01 0.00 0.00 42.92 43.57 2dku s ASP 76 CO 0.39 -0.59 0.49 -0.89 0.21 0.00 0.00 175.17 174.79 2dku s THR 77 N -2.04 5.03 0.23 -1.27 2.01 -1.26 -3.22 115.64 115.11 2dku s THR 77 Ca 0.27 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.45 2dku s THR 77 Cb -0.02 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2dku s THR 77 CO 0.02 -0.24 0.49 -0.31 -0.69 0.00 0.00 174.62 173.89 2dku s TYR 78 N 2.35 3.47 -0.12 4.92 1.51 -0.99 -3.13 117.35 125.36 2dku s TYR 78 Ca 0.17 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.86 2dku s TYR 78 Cb -0.16 -2.08 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 2dku s TYR 78 CO 0.13 0.28 -0.03 0.99 -1.11 0.00 0.00 175.55 175.81 2dku s THR 79 N -1.90 0.75 -0.61 -0.71 2.01 0.31 -2.47 115.64 113.02 2dku s THR 79 Ca 0.43 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 2dku s THR 79 Cb -0.11 -0.91 0.09 0.00 0.01 0.00 0.00 72.50 71.58 2dku s THR 79 CO 0.27 0.21 0.81 0.00 -0.69 0.00 0.00 174.62 175.22 2dku s ASP 81 N 3.57 6.73 0.00 0.00 2.15 -1.03 -2.01 116.67 126.08 2dku s ASP 81 Ca 0.16 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.05 2dku s ASP 81 Cb -0.21 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2dku s ASP 81 CO 0.08 0.18 0.00 2.30 -0.17 0.00 0.00 175.17 177.57 2dku n ILE 82 N 1.05 0.00 0.00 4.11 -5.35 -1.04 -0.52 119.36 117.61 2dku n ILE 82 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2dku n ILE 82 Cb 0.52 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 2.25 1.24 0.00 3.28 0.00 -1.26 -4.36 105.19 106.35 2dku n GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.30 -4.41 1.61 1.13 -1.26 -5.05 117.38 109.70 2dku n GLN 84 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 2dku n GLN 84 Cb 0.00 -0.97 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 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 -1.95 2.19 -0.07 -1.58 0.00 -1.26 -4.88 121.76 114.22 2dku s ALA 85 Ca 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.00 2dku s ALA 85 Cb 0.00 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.58 2dku s ALA 85 CO 0.00 -0.20 0.16 -0.65 0.00 0.00 0.00 175.76 175.07 2dku s GLN 86 N -3.82 0.15 0.60 0.00 1.11 -1.26 -2.50 119.66 113.94 2dku s GLN 86 Ca 0.31 0.31 0.08 0.00 0.01 0.00 0.00 55.36 56.08 2dku s GLN 86 Cb 0.06 -0.04 0.10 0.00 -1.01 0.00 0.00 33.01 32.12 2dku s GLN 86 CO 0.12 -0.09 0.83 0.45 0.01 0.00 0.00 175.29 176.61 2dku s SER 87 N 0.64 4.96 -0.10 5.90 0.15 -0.85 -4.89 113.70 119.51 2dku s SER 87 Ca -0.05 -0.78 -0.15 0.00 0.70 0.00 0.00 55.95 55.67 2dku s SER 87 Cb -0.06 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2dku s SER 87 CO -0.03 -1.45 0.38 -0.13 1.20 0.00 0.00 173.24 173.21 2dku s ARG 88 N -4.75 0.56 -0.12 5.44 0.52 -1.26 -2.77 118.95 116.57 2dku s ARG 88 Ca 0.63 0.27 -0.19 0.00 -0.52 0.00 0.00 55.73 55.92 2dku s ARG 88 Cb -0.05 0.26 0.05 0.00 0.52 0.00 0.00 34.95 35.73 2dku s ARG 88 CO 0.40 -0.11 0.49 0.00 0.02 0.00 0.00 175.30 176.10 2dku s ALA 89 N -0.40 -1.23 -0.07 2.13 0.00 -1.03 -4.45 121.76 116.70 2dku s ALA 89 Ca -0.05 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 2dku s ALA 89 Cb -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2dku s ALA 89 CO 0.02 -0.27 0.27 -0.65 0.00 0.00 0.00 175.76 175.14 2dku s GLN 90 N -0.42 3.72 0.01 0.00 -1.52 -1.26 -2.33 119.66 117.85 2dku s GLN 90 Ca -0.06 0.13 0.08 0.00 -1.95 0.00 0.00 55.36 53.56 2dku s GLN 90 Cb -0.03 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 2dku s GLN 90 CO 0.03 0.70 -0.23 -1.17 -0.25 0.00 0.00 175.29 174.37 2dku s LEU 91 N -0.95 2.27 -0.20 2.90 2.96 -1.20 -0.85 118.68 123.62 2dku s LEU 91 Ca 0.19 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2dku s LEU 91 Cb -0.14 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.22 2dku s LEU 91 CO 0.08 0.29 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.12 2dku s LEU 92 N -0.96 2.12 -0.78 -0.68 2.96 -0.70 -4.04 118.68 116.60 2dku s LEU 92 Ca 0.11 -0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 2dku s LEU 92 Cb -0.10 -1.10 0.21 0.00 0.50 0.00 0.00 46.19 45.69 2dku s LEU 92 CO 0.01 -0.19 0.72 -0.69 -1.32 0.00 0.00 176.35 174.89 2dku s VAL 93 N 1.48 5.49 1.21 1.68 1.01 -1.24 -1.01 120.40 129.02 2dku s VAL 93 Ca -0.02 -2.37 -0.20 0.00 0.00 0.00 0.00 61.98 59.39 2dku s VAL 93 Cb -0.17 -4.41 0.31 0.00 0.00 0.00 0.00 36.38 32.11 2dku s VAL 93 CO -0.07 -1.00 0.86 0.00 0.00 0.00 0.00 175.10 174.88 2dku n GLN 94 N 4.11 -3.83 -3.88 2.72 6.02 0.10 -4.52 117.38 118.10 2dku n GLN 94 Ca 0.10 -1.41 -0.33 0.00 -0.01 0.00 0.00 57.00 55.35 2dku n GLN 94 Cb 0.46 -1.58 -0.13 0.00 1.02 0.00 0.00 30.24 30.01 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 -3.55 2.13 0.59 1.08 0.00 -1.26 -0.89 107.32 105.42 2dku s GLY 95 Ca 0.61 -2.77 0.33 0.00 0.00 0.00 0.00 44.72 42.89 2dku s GLY 95 CO 0.49 1.01 1.39 0.07 0.00 0.00 0.00 173.10 176.06 2dku h ARG 96 N 7.48 0.00 -4.32 2.90 0.11 -1.93 -3.11 114.38 115.50 2dku h ARG 96 Ca -0.07 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.37 2dku h ARG 96 Cb 1.00 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.68 2dku h ARG 96 CO 0.64 0.00 -0.73 0.50 0.10 0.00 0.00 179.97 180.47 2dku s ARG 97 N -4.57 1.24 -1.01 0.08 3.52 -1.26 -5.04 118.95 111.91 2dku s ARG 97 Ca -0.03 -1.60 -0.07 0.00 -0.13 0.00 0.00 55.73 53.90 2dku s ARG 97 Cb 0.18 -2.80 0.25 0.00 -1.56 0.00 0.00 34.95 31.02 2dku s ARG 97 CO 0.59 -0.94 0.96 -1.12 -0.81 0.00 0.00 175.30 173.98 2dku s SER 98 N 1.14 6.81 0.33 -2.12 0.01 -1.18 -5.05 113.70 113.65 2dku s SER 98 Ca 0.10 -3.56 -0.04 0.00 1.31 0.00 0.00 55.95 53.76 2dku s SER 98 Cb -0.18 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2dku s SER 98 CO -0.13 -0.28 0.59 -0.83 0.41 0.00 0.00 173.24 173.00 2dku s GLY 99 N 0.90 1.70 -0.36 3.44 0.00 -1.26 -5.02 107.32 106.71 2dku s GLY 99 Ca 0.28 -0.61 -0.28 0.00 0.00 0.00 0.00 44.72 44.11 2dku s GLY 99 CO -0.09 -0.50 1.71 2.56 0.00 0.00 0.00 173.10 176.77 2dku s PRO 100 N -3.89 3.36 0.06 2.90 0.04 -1.26 -4.91 135.00 131.30 2dku s PRO 100 Ca 0.44 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2dku s PRO 100 Cb -0.10 -4.16 -0.18 0.00 0.04 0.00 0.00 34.50 30.10 2dku s PRO 100 CO 0.33 -1.82 1.55 0.77 0.04 0.00 0.00 177.00 177.87 2dku h SER 101 N 12.43 -0.58 -0.87 6.66 0.02 -2.03 -3.34 113.55 125.84 2dku h SER 101 Ca -0.32 -0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.09 2dku h SER 101 Cb 1.15 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.77 2dku h SER 101 CO 1.05 -0.36 1.49 -0.44 -1.14 0.00 0.00 176.83 177.44 2dku s SER 102 N -4.65 6.12 0.00 3.07 0.01 -1.26 -5.34 113.70 111.65 2dku s SER 102 Ca -0.16 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.48 2dku s SER 102 Cb 0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dku s SER 102 CO 0.60 -1.89 0.02 0.61 0.41 0.00 0.00 173.24 172.99