#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 0.94 -3.59 1.61 3.41 -1.26 -4.91 113.62 109.83 2dku n SER 2 Ca 0.00 1.05 -0.11 0.00 -0.26 0.00 0.00 58.87 59.54 2dku n SER 2 Cb 0.00 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.11 2dku n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dku s SER 3 N 2.34 -0.44 0.54 4.04 0.15 -1.26 -5.11 113.70 113.95 2dku s SER 3 Ca 0.91 0.59 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2dku s SER 3 Cb -1.30 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2dku s SER 3 CO 0.70 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2dku n GLY 4 N 1.18 2.73 3.11 9.45 0.00 -1.26 -4.66 105.19 115.74 2dku n GLY 4 Ca -0.12 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2dku n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dku s SER 5 N -4.00 0.45 -0.18 1.61 1.04 -1.26 -5.17 113.70 106.19 2dku s SER 5 Ca 0.00 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.18 2dku s SER 5 Cb 0.00 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.40 2dku s SER 5 CO 0.00 -0.64 0.53 -0.55 0.98 0.00 0.00 173.24 173.56 2dku s SER 6 N -2.96 -0.54 0.09 7.02 0.15 -1.26 -5.17 113.70 111.03 2dku s SER 6 Ca 0.12 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2dku s SER 6 Cb 0.08 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2dku s SER 6 CO -0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dku n GLY 7 N 2.58 -1.33 3.70 9.45 0.00 -1.26 -5.03 105.19 113.30 2dku n GLY 7 Ca -0.14 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.59 1.44 0.40 4.61 0.00 -1.26 -5.05 121.76 118.31 2dku s ALA 8 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2dku s ALA 8 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2dku s ALA 8 CO 0.00 -2.46 0.60 1.21 0.00 0.00 0.00 175.76 175.10 2dku s ASN 9 N -3.25 5.91 0.29 0.00 3.84 -1.26 -5.01 114.94 115.46 2dku s ASN 9 Ca 0.64 0.15 -0.16 0.00 0.21 0.00 0.00 52.86 53.69 2dku s ASN 9 Cb -0.19 -1.48 0.02 0.00 -0.55 0.00 0.00 41.25 39.05 2dku s ASN 9 CO 0.58 -0.58 0.64 0.00 -2.79 0.00 0.00 177.10 174.94 2dku s PHE 11 N -3.63 3.19 0.16 0.00 0.40 -1.26 -1.18 117.98 115.66 2dku s PHE 11 Ca 0.17 -0.47 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2dku s PHE 11 Cb -0.04 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.13 2dku s PHE 11 CO 0.09 -0.42 1.42 1.79 0.70 0.00 0.00 175.22 178.79 2dku h THR 12 N 5.61 1.35 -3.19 0.64 1.35 -1.82 -3.41 112.91 113.45 2dku h THR 12 Ca -0.32 -2.07 -0.59 0.00 -0.55 0.00 0.00 66.41 62.88 2dku h THR 12 Cb 1.15 2.05 -0.40 0.00 -1.73 0.00 0.00 68.15 69.22 2dku h THR 12 CO 0.62 0.63 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.16 2dku s GLU 13 N -3.68 0.81 0.74 4.72 2.02 -1.25 -5.01 118.70 117.04 2dku s GLU 13 Ca -0.07 -1.19 -0.16 0.00 0.02 0.00 0.00 54.97 53.57 2dku s GLU 13 Cb 0.10 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.25 2dku s GLU 13 CO 0.85 -0.99 1.02 0.39 0.02 0.00 0.00 175.26 176.55 2dku n GLU 14 N 4.72 0.48 -0.56 1.61 1.02 -1.26 -2.48 120.64 124.16 2dku n GLU 14 Ca -0.01 0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 2dku n GLU 14 Cb 0.42 -2.27 0.22 0.00 -0.02 0.00 0.00 31.44 29.78 2dku n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2dku n LEU 15 N -1.96 -1.21 -4.04 -4.62 4.77 -1.26 -4.87 117.00 103.82 2dku n LEU 15 Ca 0.13 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2dku n LEU 15 Cb 0.50 -1.20 -0.15 0.00 -2.33 0.00 0.00 43.42 40.24 2dku n LEU 15 CO 0.49 -3.17 -0.45 0.28 -1.33 0.00 0.00 177.39 173.21 2dku s THR 16 N -2.38 0.91 0.04 -5.08 -1.32 -1.26 -4.89 115.64 101.66 2dku s THR 16 Ca 0.65 -0.45 -0.31 0.00 -1.21 0.00 0.00 61.69 60.36 2dku s THR 16 Cb -0.22 -0.78 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2dku s THR 16 CO 0.65 0.27 1.91 0.59 -2.21 0.00 0.00 174.62 175.83 2dku n ASN 17 N 3.11 3.96 -4.74 8.08 3.02 -1.26 -4.73 115.26 122.71 2dku n ASN 17 Ca -0.17 0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 54.97 2dku n ASN 17 Cb 0.55 -1.50 -0.07 0.00 -0.61 0.00 0.00 39.78 38.14 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 3.77 4.24 -0.22 3.41 1.43 -0.94 -4.96 118.68 125.41 2dku s LEU 18 Ca 0.87 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 2dku s LEU 18 Cb -0.51 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2dku s LEU 18 CO 0.42 0.15 -0.10 -1.10 0.23 0.00 0.00 176.35 175.95 2dku s GLN 19 N 0.32 2.96 0.28 1.70 1.11 -1.26 -0.74 119.66 124.03 2dku s GLN 19 Ca 0.13 -0.88 -0.15 0.00 0.01 0.00 0.00 55.36 54.47 2dku s GLN 19 Cb -0.12 -2.86 0.01 0.00 -1.01 0.00 0.00 33.01 29.03 2dku s GLN 19 CO 0.02 -0.31 0.59 0.08 0.01 0.00 0.00 175.29 175.68 2dku s VAL 20 N 1.33 0.00 0.26 1.09 1.01 -0.14 -4.98 120.40 118.98 2dku s VAL 20 Ca 0.02 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 2dku s VAL 20 Cb -0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2dku s VAL 20 CO -0.07 0.00 0.49 -1.61 0.00 0.00 0.00 175.10 173.91 2dku s GLU 21 N -3.76 3.58 0.99 2.72 2.02 -1.26 0.24 118.70 123.23 2dku s GLU 21 Ca 0.19 -0.15 -0.13 0.00 0.02 0.00 0.00 54.97 54.89 2dku s GLU 21 Cb -0.03 -2.72 0.08 0.00 0.10 0.00 0.00 34.13 31.56 2dku s GLU 21 CO 0.09 0.28 0.46 -0.85 0.02 0.00 0.00 175.26 175.26 2dku n GLU 22 N -0.90 -0.68 -2.08 1.61 0.28 -0.78 -2.76 120.64 115.33 2dku n GLU 22 Ca -0.03 -0.16 -0.20 0.00 -0.16 0.00 0.00 57.16 56.61 2dku n GLU 22 Cb 0.54 -1.91 -0.04 0.00 1.43 0.00 0.00 31.44 31.46 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 -2.27 -1.54 0.00 3.44 4.76 -1.16 -4.72 118.16 116.67 2dku n LYS 23 Ca 0.06 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 2dku n LYS 23 Cb 0.55 -5.60 0.00 0.00 -1.84 0.00 0.00 35.03 28.14 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 -0.81 4.17 3.08 0.72 0.00 -1.11 -4.81 105.19 106.42 2dku n GLY 24 Ca -0.23 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2dku n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dku s THR 25 N 4.13 -0.18 -0.23 2.61 2.01 -1.26 -3.18 115.64 119.55 2dku s THR 25 Ca 0.00 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2dku s THR 25 Cb 0.00 -0.44 0.06 0.00 0.01 0.00 0.00 72.50 72.12 2dku s THR 25 CO 0.00 0.07 -0.05 0.00 -0.69 0.00 0.00 174.62 173.95 2dku s ALA 26 N 1.69 1.89 -0.39 7.40 0.00 -0.31 -4.98 121.76 127.06 2dku s ALA 26 Ca -0.06 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 2dku s ALA 26 Cb -0.11 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.67 2dku s ALA 26 CO -0.09 -1.15 0.23 0.54 0.00 0.00 0.00 175.76 175.28 2dku s VAL 27 N 1.43 4.39 -0.57 0.00 0.11 -1.26 -1.88 120.40 122.62 2dku s VAL 27 Ca -0.05 -1.11 -0.28 0.00 -2.93 0.00 0.00 61.98 57.61 2dku s VAL 27 Cb -0.18 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2dku s VAL 27 CO -0.06 -0.35 1.54 -0.36 -3.33 0.00 0.00 175.10 172.53 2dku s PHE 28 N 1.49 2.10 -0.02 1.54 0.08 -0.96 -4.81 117.98 117.40 2dku s PHE 28 Ca 0.02 0.51 -0.17 0.00 0.12 0.00 0.00 56.93 57.41 2dku s PHE 28 Cb -0.21 -4.32 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 2dku s PHE 28 CO 0.04 -2.15 0.47 0.95 -0.10 0.00 0.00 175.22 174.44 2dku s THR 29 N 6.78 5.01 0.34 0.64 -4.23 -1.26 -2.21 115.64 120.72 2dku s THR 29 Ca 0.57 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 62.06 2dku s THR 29 Cb -0.12 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 2dku s THR 29 CO 0.24 0.49 0.43 0.00 -0.54 0.00 0.00 174.62 175.24 2dku s LYS 31 N -2.95 0.77 0.02 0.00 2.20 -1.04 -2.21 119.74 116.53 2dku s LYS 31 Ca 0.32 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2dku s LYS 31 Cb -0.00 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2dku s LYS 31 CO 0.23 -0.23 0.05 0.95 -0.36 0.00 0.00 175.35 175.99 2dku s THR 32 N -3.59 0.11 0.11 3.43 -4.23 -1.04 -3.17 115.64 107.26 2dku s THR 32 Ca 0.03 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.44 2dku s THR 32 Cb 0.04 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.29 2dku s THR 32 CO -0.09 -0.52 1.54 -0.08 -0.54 0.00 0.00 174.62 174.93 2dku h GLU 33 N 4.21 0.58 -6.77 3.99 4.57 -1.48 -3.43 114.58 116.26 2dku h GLU 33 Ca -0.32 -0.19 -0.68 0.00 -1.18 0.00 0.00 59.36 57.00 2dku h GLU 33 Cb 1.19 -0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.54 2dku h GLU 33 CO 0.44 0.71 -0.82 -1.01 -1.18 0.00 0.00 179.01 177.16 2dku s HIS 34 N -4.98 2.47 -0.99 0.92 3.76 -1.26 -5.04 115.29 110.17 2dku s HIS 34 Ca -0.13 -0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.24 2dku s HIS 34 Cb 0.09 -1.31 -0.06 0.00 1.11 0.00 0.00 32.58 32.40 2dku s HIS 34 CO 0.77 0.38 1.94 -1.25 -0.85 0.00 0.00 174.74 175.73 2dku s PRO 35 N -2.15 2.54 0.74 8.40 0.04 -1.26 -4.95 135.00 138.36 2dku s PRO 35 Ca 0.17 -0.58 -0.16 0.00 0.04 0.00 0.00 61.00 60.47 2dku s PRO 35 Cb -0.10 -5.12 -0.08 0.00 0.04 0.00 0.00 34.50 29.24 2dku s PRO 35 CO 0.09 -3.57 0.16 0.00 0.04 0.00 0.00 177.00 173.72 2dku n ALA 36 N 14.10 -2.59 0.50 8.56 0.00 -1.26 -4.90 120.51 134.92 2dku n ALA 36 Ca 0.42 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2dku n ALA 36 Cb 0.47 -1.64 0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.30 3.26 -3.54 0.00 0.00 -1.26 -4.96 120.51 111.71 2dku n ALA 37 Ca 0.07 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.98 2dku n ALA 37 Cb 0.51 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.22 0.00 -0.03 0.00 -1.32 -1.26 -5.17 115.64 104.63 2dku s THR 38 Ca 0.03 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 2dku s THR 38 Cb 0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 2dku s THR 38 CO 0.80 0.00 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.50 2dku s VAL 39 N -1.28 0.33 -0.35 5.08 1.01 -1.26 -4.48 120.40 119.45 2dku s VAL 39 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2dku s VAL 39 Cb -0.00 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 36.08 2dku s VAL 39 CO 0.06 0.18 0.06 -0.89 0.00 0.00 0.00 175.10 174.50 2dku s THR 40 N 0.94 2.27 0.63 3.92 2.01 -0.00 -5.00 115.64 120.41 2dku s THR 40 Ca -0.11 -2.38 -0.15 0.00 0.31 0.00 0.00 61.69 59.37 2dku s THR 40 Cb -0.14 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 2dku s THR 40 CO -0.01 -0.61 1.07 0.26 -0.69 0.00 0.00 174.62 174.64 2dku s TRP 41 N 0.86 2.91 -0.07 4.92 0.52 -1.26 -3.11 118.94 123.72 2dku s TRP 41 Ca 0.11 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.71 2dku s TRP 41 Cb -0.19 -3.02 0.04 0.00 -1.15 0.00 0.00 33.47 29.14 2dku s TRP 41 CO -0.08 -1.28 0.14 0.50 0.02 0.00 0.00 176.95 176.25 2dku s ARG 42 N -4.25 0.09 -0.62 4.98 3.52 -0.30 -0.57 118.95 121.79 2dku s ARG 42 Ca 0.63 0.38 -0.16 0.00 -0.13 0.00 0.00 55.73 56.45 2dku s ARG 42 Cb -0.17 -0.19 0.15 0.00 -1.56 0.00 0.00 34.95 33.18 2dku s ARG 42 CO 0.41 -0.17 0.61 0.21 -0.81 0.00 0.00 175.30 175.55 2dku s LYS 43 N 1.21 3.15 2.40 5.12 2.20 0.16 -0.34 119.74 133.65 2dku s LYS 43 Ca -0.09 -1.83 0.00 0.00 -0.36 0.00 0.00 55.97 53.69 2dku s LYS 43 Cb -0.12 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 2dku s LYS 43 CO -0.06 -1.36 0.00 0.41 -0.36 0.00 0.00 175.35 173.98 2dku n GLY 44 N 4.97 1.19 0.29 5.54 0.00 0.16 -1.90 105.19 115.43 2dku n GLY 44 Ca -0.06 0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 1.57 -4.12 0.99 4.77 -1.26 -4.96 117.00 113.98 2dku n LEU 45 Ca 0.00 -2.43 -0.21 0.00 -0.03 0.00 0.00 56.01 53.34 2dku n LEU 45 Cb 0.00 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2dku n LEU 45 CO 0.00 0.60 -0.47 -0.22 -1.33 0.00 0.00 177.39 175.97 2dku s LEU 46 N -1.88 2.10 0.20 2.23 2.96 -0.80 -5.14 118.68 118.37 2dku s LEU 46 Ca 0.22 -0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 2dku s LEU 46 Cb 0.20 -0.65 -0.08 0.00 0.50 0.00 0.00 46.19 46.15 2dku s LEU 46 CO 0.01 0.10 0.80 -0.70 -1.32 0.00 0.00 176.35 175.23 2dku s GLU 47 N -0.75 4.51 0.43 1.98 2.12 -1.26 0.37 118.70 126.10 2dku s GLU 47 Ca 0.03 1.13 0.08 0.00 0.36 0.00 0.00 54.97 56.58 2dku s GLU 47 Cb -0.07 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2dku s GLU 47 CO 0.00 0.49 0.53 -0.51 -0.54 0.00 0.00 175.26 175.23 2dku s LEU 48 N -1.46 3.54 -0.05 2.70 1.43 0.26 -4.84 118.68 120.26 2dku s LEU 48 Ca 0.40 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2dku s LEU 48 Cb -0.21 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.66 2dku s LEU 48 CO 0.25 -0.77 0.61 0.00 0.23 0.00 0.00 176.35 176.67 2dku s ARG 49 N -4.31 0.98 -0.51 1.70 1.70 -1.26 -4.58 118.95 112.67 2dku s ARG 49 Ca 0.53 0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 55.67 2dku s ARG 49 Cb -0.08 0.46 -0.11 0.00 -0.57 0.00 0.00 34.95 34.65 2dku s ARG 49 CO 0.32 -0.30 2.38 0.00 -1.08 0.00 0.00 175.30 176.62 2dku n ALA 50 N 1.02 0.89 -3.26 7.88 0.00 -1.23 -4.36 120.51 121.44 2dku n ALA 50 Ca -0.19 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 2dku n ALA 50 Cb 0.57 -2.77 -0.05 0.00 0.00 0.00 0.00 19.45 17.21 2dku n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dku s SER 51 N 9.51 -0.14 0.57 0.00 0.15 0.79 -4.97 113.70 119.60 2dku s SER 51 Ca 1.10 -0.77 0.42 0.00 0.70 0.00 0.00 55.95 57.40 2dku s SER 51 Cb -0.65 0.59 1.48 0.00 -1.71 0.00 0.00 66.02 65.74 2dku s SER 51 CO 0.40 -1.13 1.51 1.23 1.20 0.00 0.00 173.24 176.45 2dku h GLY 52 N 2.23 0.00 0.00 9.45 0.00 -1.99 -1.94 103.07 110.81 2dku h GLY 52 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dku h GLY 52 CO 0.35 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 178.56 2dku h LYS 53 N 0.00 0.00 -4.27 4.80 1.63 -1.90 -3.44 116.57 113.40 2dku h LYS 53 Ca 0.77 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.83 2dku h LYS 53 Cb 3.39 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 34.79 2dku h LYS 53 CO -0.01 0.00 -0.31 -1.01 -3.45 0.00 0.00 179.45 174.67 2dku s HIS 54 N -1.11 3.25 -0.59 1.91 3.76 -0.73 -3.51 115.29 118.26 2dku s HIS 54 Ca -0.01 -1.02 0.01 0.00 -0.15 0.00 0.00 55.06 53.90 2dku s HIS 54 Cb 0.00 -3.29 0.15 0.00 1.11 0.00 0.00 32.58 30.55 2dku s HIS 54 CO 0.01 -0.84 0.37 -1.14 -0.85 0.00 0.00 174.74 172.29 2dku s GLN 55 N 1.63 2.30 1.16 1.40 2.00 -1.05 -0.15 119.66 126.95 2dku s GLN 55 Ca 0.04 -2.68 -0.18 0.00 -2.00 0.00 0.00 55.36 50.54 2dku s GLN 55 Cb -0.25 -3.51 0.27 0.00 0.80 0.00 0.00 33.01 30.31 2dku s GLN 55 CO 0.06 -1.15 1.10 -1.25 -0.50 0.00 0.00 175.29 173.55 2dku s PRO 56 N -0.36 -0.89 0.32 1.67 0.04 -1.26 -2.95 135.00 131.57 2dku s PRO 56 Ca 0.18 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.11 2dku s PRO 56 Cb -0.21 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2dku s PRO 56 CO -0.03 -3.52 0.71 0.45 0.04 0.00 0.00 177.00 174.65 2dku s SER 57 N -3.78 -0.06 -0.16 6.66 0.15 -0.69 -4.92 113.70 110.91 2dku s SER 57 Ca 0.70 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 2dku s SER 57 Cb -0.12 0.76 0.08 0.00 -1.71 0.00 0.00 66.02 65.03 2dku s SER 57 CO 0.56 -1.47 0.31 -1.58 1.20 0.00 0.00 173.24 172.27 2dku s GLN 58 N -3.21 0.21 -0.55 5.44 2.00 -1.26 -3.92 119.66 118.36 2dku s GLN 58 Ca 0.15 0.82 0.04 0.00 -2.00 0.00 0.00 55.36 54.37 2dku s GLN 58 Cb -0.05 0.04 0.17 0.00 0.80 0.00 0.00 33.01 33.97 2dku s GLN 58 CO 0.10 -0.29 0.40 -1.21 -0.50 0.00 0.00 175.29 173.79 2dku s GLU 59 N 2.48 1.65 3.45 1.67 0.41 -0.65 -5.03 118.70 122.68 2dku s GLU 59 Ca 0.01 -2.67 0.00 0.00 -0.41 0.00 0.00 54.97 51.90 2dku s GLU 59 Cb -0.12 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2dku s GLU 59 CO -0.10 -1.32 0.00 0.41 -0.49 0.00 0.00 175.26 173.76 2dku n GLY 60 N 2.50 1.41 0.06 -1.39 0.00 -1.26 -2.14 105.19 104.37 2dku n GLY 60 Ca 0.24 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 2.17 -4.06 0.99 4.77 -1.26 -4.39 117.00 115.22 2dku n LEU 61 Ca 0.00 -2.72 -0.30 0.00 -0.03 0.00 0.00 56.01 52.96 2dku n LEU 61 Cb 0.00 -0.30 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 2dku n LEU 61 CO 0.00 0.64 -0.50 -0.89 -1.33 0.00 0.00 177.39 175.30 2dku s THR 62 N -2.29 1.68 0.21 -5.08 2.01 -0.91 -2.51 115.64 108.76 2dku s THR 62 Ca 0.23 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.59 2dku s THR 62 Cb 0.20 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2dku s THR 62 CO 0.02 0.48 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.62 2dku s LEU 63 N 1.22 3.10 -0.13 4.42 1.43 -0.94 -1.64 118.68 126.14 2dku s LEU 63 Ca -0.00 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2dku s LEU 63 Cb -0.14 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.45 2dku s LEU 63 CO -0.07 0.07 0.82 0.00 0.23 0.00 0.00 176.35 177.40 2dku s ARG 64 N -3.13 0.84 -0.26 1.70 1.70 -1.25 -0.99 118.95 117.56 2dku s ARG 64 Ca 0.28 0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 2dku s ARG 64 Cb -0.08 0.40 0.07 0.00 -0.57 0.00 0.00 34.95 34.77 2dku s ARG 64 CO 0.17 -0.24 0.01 -1.17 -1.08 0.00 0.00 175.30 172.99 2dku s LEU 65 N -0.89 2.57 -0.15 -1.89 2.96 -0.94 -1.70 118.68 118.64 2dku s LEU 65 Ca -0.06 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 2dku s LEU 65 Cb -0.01 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 2dku s LEU 65 CO 0.05 -0.30 1.18 -0.89 -1.32 0.00 0.00 176.35 175.06 2dku s THR 66 N 1.45 4.41 -0.21 3.68 2.01 -1.15 -2.26 115.64 123.56 2dku s THR 66 Ca 0.00 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.72 2dku s THR 66 Cb -0.18 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.26 2dku s THR 66 CO -0.11 -0.10 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.93 2dku s ILE 67 N 2.99 2.17 0.33 1.82 1.01 -0.79 -2.54 121.20 126.20 2dku s ILE 67 Ca 0.52 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 60.15 2dku s ILE 67 Cb -0.21 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2dku s ILE 67 CO 0.15 0.37 0.15 -0.44 0.00 0.00 0.00 174.94 175.17 2dku s SER 68 N 1.25 4.76 -0.90 3.58 0.01 -1.23 -1.16 113.70 120.01 2dku s SER 68 Ca 0.01 -0.72 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 2dku s SER 68 Cb -0.15 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2dku s SER 68 CO -0.10 -0.28 0.78 0.00 0.41 0.00 0.00 173.24 174.04 2dku n ALA 69 N -1.16 -1.09 -0.37 1.44 0.00 -1.19 -4.88 120.51 113.27 2dku n ALA 69 Ca -0.03 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 2dku n ALA 69 Cb 0.61 -3.21 0.25 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.46 -1.00 -3.63 0.00 4.77 -1.26 -4.78 117.00 107.65 2dku n LEU 70 Ca -0.07 -0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 55.31 2dku n LEU 70 Cb 0.57 -1.00 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2dku n LEU 70 CO 0.44 -3.99 0.97 -1.83 -1.33 0.00 0.00 177.39 171.65 2dku s GLU 71 N -4.49 0.53 0.55 3.23 -1.05 -1.26 -2.97 118.70 113.25 2dku s GLU 71 Ca 0.61 -0.27 0.29 0.00 -0.15 0.00 0.00 54.97 55.45 2dku s GLU 71 Cb -0.14 0.19 1.46 0.00 -0.44 0.00 0.00 34.13 35.21 2dku s GLU 71 CO 0.55 -0.24 1.91 0.87 0.95 0.00 0.00 175.26 179.30 2dku h LYS 72 N 2.00 0.00 -0.05 -4.83 1.57 -1.97 -0.49 116.57 112.80 2dku h LYS 72 Ca -0.24 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2dku h LYS 72 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2dku h LYS 72 CO 0.27 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 178.93 2dku h ALA 73 N 1.55 0.09 -0.91 3.86 0.00 -1.95 -3.24 119.26 118.66 2dku h ALA 73 Ca 0.32 -0.41 0.35 0.00 0.00 0.00 0.00 54.91 55.17 2dku h ALA 73 Cb 1.38 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 2dku h ALA 73 CO -0.00 0.07 0.39 -0.25 0.00 0.00 0.00 179.25 179.46 2dku n ASP 74 N -4.54 0.23 -4.52 0.00 9.92 -0.19 -4.24 116.55 113.21 2dku n ASP 74 Ca -0.09 1.52 -0.34 0.00 -0.53 0.00 0.00 54.79 55.35 2dku n ASP 74 Cb 0.45 -0.70 -0.13 0.00 -0.64 0.00 0.00 41.12 40.10 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 -5.12 0.64 -2.13 -2.24 7.64 -1.23 -4.75 113.62 106.43 2dku n SER 75 Ca 0.32 -0.26 -0.03 0.00 1.01 0.00 0.00 58.87 59.91 2dku n SER 75 Cb 1.08 -1.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 11.76 -1.04 -4.61 6.43 -0.08 -1.26 -4.98 116.55 122.77 2dku n ASP 76 Ca 0.57 -1.62 -0.38 0.00 -1.51 0.00 0.00 54.79 51.86 2dku n ASP 76 Cb 0.21 1.70 -0.10 0.00 2.34 0.00 0.00 41.12 45.27 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 -2.38 5.30 -0.12 5.18 2.01 -1.26 -2.57 115.64 121.80 2dku s THR 77 Ca 0.11 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.28 2dku s THR 77 Cb -0.02 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2dku s THR 77 CO 0.04 0.26 0.09 -0.31 -0.69 0.00 0.00 174.62 174.01 2dku s TYR 78 N 1.64 3.42 -0.16 4.92 1.51 -0.79 0.39 117.35 128.28 2dku s TYR 78 Ca 0.08 0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 56.50 2dku s TYR 78 Cb -0.15 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2dku s TYR 78 CO 0.09 0.57 -0.13 0.99 -1.11 0.00 0.00 175.55 175.96 2dku s THR 79 N -0.74 2.89 -0.58 -0.71 2.01 0.54 -1.98 115.64 117.07 2dku s THR 79 Ca 0.13 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 2dku s THR 79 Cb -0.12 -2.24 0.15 0.00 0.01 0.00 0.00 72.50 70.30 2dku s THR 79 CO 0.03 0.50 0.53 0.00 -0.69 0.00 0.00 174.62 174.98 2dku s ASP 81 N 3.17 6.58 -0.04 0.00 2.15 -1.18 -2.32 116.67 125.02 2dku s ASP 81 Ca 0.06 0.68 0.10 0.00 0.43 0.00 0.00 52.55 53.83 2dku s ASP 81 Cb -0.26 -2.20 -0.15 0.00 -0.30 0.00 0.00 42.92 40.01 2dku s ASP 81 CO 0.00 0.20 0.16 2.30 -0.17 0.00 0.00 175.17 177.67 2dku n ILE 82 N 2.80 0.24 0.00 4.11 -5.35 -1.01 -0.82 119.36 119.33 2dku n ILE 82 Ca -0.13 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2dku n ILE 82 Cb 0.52 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 2.08 1.33 0.00 3.28 0.00 -1.26 -4.49 105.19 106.13 2dku n GLY 83 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 2.95 -4.28 1.61 -0.06 -1.26 -5.09 117.38 111.24 2dku n GLN 84 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2dku n GLN 84 Cb 0.00 -0.93 -0.10 0.00 -4.06 0.00 0.00 30.24 25.15 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 -1.82 1.56 -0.16 1.69 0.00 -1.26 -4.94 121.76 116.83 2dku s ALA 85 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.09 2dku s ALA 85 Cb 0.00 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.22 2dku s ALA 85 CO 0.00 -0.46 0.37 -0.65 0.00 0.00 0.00 175.76 175.02 2dku s GLN 86 N -4.04 0.34 0.63 0.00 1.11 -1.26 -2.41 119.66 114.02 2dku s GLN 86 Ca 0.36 0.76 0.08 0.00 0.01 0.00 0.00 55.36 56.57 2dku s GLN 86 Cb 0.07 -0.01 0.11 0.00 -1.01 0.00 0.00 33.01 32.17 2dku s GLN 86 CO 0.12 -0.17 0.86 0.45 0.01 0.00 0.00 175.29 176.56 2dku n SER 87 N 4.42 2.03 -3.72 5.90 2.88 -0.98 -4.89 113.62 119.26 2dku n SER 87 Ca -0.22 -2.51 -0.13 0.00 -1.33 0.00 0.00 58.87 54.68 2dku n SER 87 Cb 0.54 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 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 -4.80 0.52 0.00 -1.46 0.52 -1.26 -2.70 118.95 109.77 2dku s ARG 88 Ca 0.64 0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 56.41 2dku s ARG 88 Cb -0.05 0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.67 2dku s ARG 88 CO 0.41 -0.06 0.11 0.00 0.02 0.00 0.00 175.30 175.78 2dku s ALA 89 N 0.27 -0.26 -0.20 2.13 0.00 -0.84 -4.53 121.76 118.34 2dku s ALA 89 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 2dku s ALA 89 Cb -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2dku s ALA 89 CO 0.00 -0.19 0.03 -0.65 0.00 0.00 0.00 175.76 174.95 2dku s GLN 90 N -1.26 3.75 0.18 0.00 -0.21 -1.26 -1.88 119.66 118.97 2dku s GLN 90 Ca -0.14 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 54.83 2dku s GLN 90 Cb -0.07 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 2dku s GLN 90 CO 0.01 0.09 0.25 -1.17 -2.12 0.00 0.00 175.29 172.35 2dku s LEU 91 N 0.82 4.15 -0.06 2.90 2.96 -1.06 -2.21 118.68 126.17 2dku s LEU 91 Ca 0.02 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2dku s LEU 91 Cb -0.14 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 43.86 2dku s LEU 91 CO 0.02 0.03 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.84 2dku s LEU 92 N -3.37 0.90 -0.76 -0.68 2.96 0.08 -4.10 118.68 113.71 2dku s LEU 92 Ca 0.33 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2dku s LEU 92 Cb -0.10 -0.46 0.19 0.00 0.50 0.00 0.00 46.19 46.32 2dku s LEU 92 CO 0.27 -0.14 0.61 -0.69 -1.32 0.00 0.00 176.35 175.08 2dku s VAL 93 N 1.55 4.17 0.05 1.68 1.01 -1.21 -0.96 120.40 126.68 2dku s VAL 93 Ca -0.01 -3.28 -0.31 0.00 0.00 0.00 0.00 61.98 58.38 2dku s VAL 93 Cb -0.13 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2dku s VAL 93 CO -0.03 -0.98 1.56 -1.10 0.00 0.00 0.00 175.10 174.54 2dku s GLN 94 N -0.57 4.23 -0.24 2.72 -0.21 0.14 -4.49 119.66 121.25 2dku s GLN 94 Ca 0.21 2.20 -0.37 0.00 0.02 0.00 0.00 55.36 57.43 2dku s GLN 94 Cb -0.14 -3.56 -0.13 0.00 1.00 0.00 0.00 33.01 30.18 2dku s GLN 94 CO -0.07 -0.67 1.93 0.41 -2.12 0.00 0.00 175.29 174.77 2dku n GLY 95 N 3.85 0.96 0.33 3.09 0.00 -1.26 -1.86 105.19 110.30 2dku n GLY 95 Ca 0.15 0.91 0.18 0.00 0.00 0.00 0.00 46.02 47.26 2dku n GLY 95 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dku h ARG 96 N 9.50 0.06 -1.92 1.61 2.43 -1.90 -3.41 114.38 120.75 2dku h ARG 96 Ca -0.42 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2dku h ARG 96 Cb 1.30 -0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.62 2dku h ARG 96 CO 0.97 0.04 0.14 0.50 -1.51 0.00 0.00 179.97 180.11 2dku s ARG 97 N -5.87 0.71 -1.19 0.20 3.52 -1.26 -5.07 118.95 109.99 2dku s ARG 97 Ca -0.12 1.03 -0.12 0.00 -0.13 0.00 0.00 55.73 56.39 2dku s ARG 97 Cb 0.29 0.25 0.20 0.00 -1.56 0.00 0.00 34.95 34.13 2dku s ARG 97 CO 0.78 -0.12 1.37 0.45 -0.81 0.00 0.00 175.30 176.97 2dku n SER 98 N 3.44 5.30 0.00 -2.12 2.88 -1.26 -4.95 113.62 116.90 2dku n SER 98 Ca -0.17 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 2dku n SER 98 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 3.72 0.42 3.55 0.46 0.00 -1.26 -3.81 105.19 108.28 2dku n GLY 99 Ca 0.34 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 2.59 -0.51 1.61 0.04 -1.26 -4.94 135.00 132.54 2dku s PRO 100 Ca 0.00 0.20 -0.28 0.00 0.04 0.00 0.00 61.00 60.96 2dku s PRO 100 Cb 0.00 -4.69 0.02 0.00 0.04 0.00 0.00 34.50 29.87 2dku s PRO 100 CO 0.00 -3.02 1.28 0.45 0.04 0.00 0.00 177.00 175.75 2dku s SER 101 N 8.08 6.40 -0.05 6.66 0.15 -1.25 -4.91 113.70 128.78 2dku s SER 101 Ca 0.68 0.42 -0.11 0.00 0.70 0.00 0.00 55.95 57.64 2dku s SER 101 Cb -0.10 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 2dku s SER 101 CO 0.11 -1.46 0.47 0.28 1.20 0.00 0.00 173.24 173.84 2dku h SER 102 N 10.08 -0.35 0.00 5.45 0.02 -1.92 -3.53 113.55 123.31 2dku h SER 102 Ca -0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2dku h SER 102 Cb 1.08 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dku h SER 102 CO 1.14 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.54