#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 3.24 -0.04 1.61 1.04 -1.26 -4.98 113.70 113.31 2dku s SER 2 Ca 0.00 2.24 -0.19 0.00 0.48 0.00 0.00 55.95 58.48 2dku s SER 2 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2dku s SER 2 CO 0.00 -2.89 0.53 -0.94 0.98 0.00 0.00 173.24 170.91 2dku s SER 3 N -2.51 6.86 -0.30 7.02 1.04 -1.26 -5.04 113.70 119.51 2dku s SER 3 Ca 0.69 1.02 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 2dku s SER 3 Cb -0.25 -2.32 0.19 0.00 0.10 0.00 0.00 66.02 63.74 2dku s SER 3 CO 0.55 0.11 0.77 -0.83 0.98 0.00 0.00 173.24 174.82 2dku s GLY 4 N -0.09 -0.98 0.02 7.32 0.00 -1.26 -5.04 107.32 107.29 2dku s GLY 4 Ca 0.28 1.76 -0.23 0.00 0.00 0.00 0.00 44.72 46.53 2dku s GLY 4 CO 0.14 3.73 1.40 1.48 0.00 0.00 0.00 173.10 179.85 2dku h SER 5 N 7.83 0.13 -3.31 1.64 4.64 -1.98 -3.43 113.55 119.06 2dku h SER 5 Ca -0.10 -0.38 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 2dku h SER 5 Cb 1.18 -0.03 -0.28 0.00 -0.31 0.00 0.00 62.40 62.95 2dku h SER 5 CO 0.08 0.48 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.32 2dku s SER 6 N -5.72 4.01 0.00 4.97 0.01 -1.26 -4.89 113.70 110.82 2dku s SER 6 Ca -0.15 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dku s SER 6 Cb 0.04 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2dku s SER 6 CO 0.70 0.07 0.00 0.61 0.41 0.00 0.00 173.24 175.03 2dku n GLY 7 N 4.15 -1.84 3.99 3.44 0.00 -1.26 -5.15 105.19 108.52 2dku n GLY 7 Ca -0.19 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.00 4.52 0.17 4.61 0.00 -1.26 -5.14 121.76 123.65 2dku s ALA 8 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.18 2dku s ALA 8 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 2dku s ALA 8 CO 0.00 -0.51 -0.14 1.21 0.00 0.00 0.00 175.76 176.32 2dku s ASN 9 N -4.43 2.26 0.30 0.00 2.47 -1.26 -4.94 114.94 109.34 2dku s ASN 9 Ca 0.54 -0.95 -0.06 0.00 0.42 0.00 0.00 52.86 52.82 2dku s ASN 9 Cb -0.06 -0.09 -0.00 0.00 -1.45 0.00 0.00 41.25 39.64 2dku s ASN 9 CO 0.33 -0.18 0.44 0.00 -3.72 0.00 0.00 177.10 173.97 2dku s PHE 11 N -3.46 3.27 0.32 0.00 0.40 -1.26 -0.24 117.98 117.00 2dku s PHE 11 Ca 0.29 -1.11 0.09 0.00 -0.60 0.00 0.00 56.93 55.60 2dku s PHE 11 Cb 0.00 -2.60 0.54 0.00 0.51 0.00 0.00 43.02 41.48 2dku s PHE 11 CO 0.16 -0.71 1.74 1.79 0.70 0.00 0.00 175.22 178.90 2dku h THR 12 N 5.93 1.31 -3.07 0.64 1.35 -1.84 -3.39 112.91 113.84 2dku h THR 12 Ca -0.25 -1.50 -0.57 0.00 -0.55 0.00 0.00 66.41 63.53 2dku h THR 12 Cb 1.10 1.74 -0.40 0.00 -1.73 0.00 0.00 68.15 68.86 2dku h THR 12 CO 0.70 0.44 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.04 2dku s GLU 13 N -4.09 0.65 0.92 4.72 2.02 -1.26 -5.02 118.70 116.63 2dku s GLU 13 Ca -0.03 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 53.82 2dku s GLU 13 Cb 0.14 -1.85 0.15 0.00 0.10 0.00 0.00 34.13 32.67 2dku s GLU 13 CO 0.75 -1.01 1.13 -1.21 0.02 0.00 0.00 175.26 174.95 2dku s GLU 14 N 1.62 0.98 1.26 1.61 2.02 -1.26 -2.27 118.70 122.66 2dku s GLU 14 Ca 0.10 1.44 -0.19 0.00 0.02 0.00 0.00 54.97 56.35 2dku s GLU 14 Cb -0.18 -1.73 0.31 0.00 0.10 0.00 0.00 34.13 32.63 2dku s GLU 14 CO -0.25 -2.62 1.02 -0.51 0.02 0.00 0.00 175.26 172.91 2dku s LEU 15 N -6.59 0.10 -0.03 1.80 1.43 -1.26 -4.85 118.68 109.28 2dku s LEU 15 Ca 0.66 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2dku s LEU 15 Cb -0.22 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.39 2dku s LEU 15 CO 0.58 -4.53 0.06 0.28 0.23 0.00 0.00 176.35 172.97 2dku s THR 16 N -2.61 -0.06 0.24 5.49 -1.32 -1.26 -4.95 115.64 111.16 2dku s THR 16 Ca 0.69 0.20 -0.29 0.00 -1.21 0.00 0.00 61.69 61.08 2dku s THR 16 Cb -0.15 -0.12 -0.15 0.00 -1.51 0.00 0.00 72.50 70.56 2dku s THR 16 CO 0.59 0.08 0.85 -0.46 -2.21 0.00 0.00 174.62 173.47 2dku n ASN 17 N 4.17 0.36 -4.21 8.08 0.23 -1.26 -4.86 115.26 117.76 2dku n ASN 17 Ca -0.27 1.16 -0.29 0.00 -0.53 0.00 0.00 54.58 54.65 2dku n ASN 17 Cb 0.51 -1.15 -0.16 0.00 -2.08 0.00 0.00 39.78 36.90 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2dku s LEU 18 N 1.37 2.00 -0.21 -4.53 1.43 -1.09 -5.01 118.68 112.64 2dku s LEU 18 Ca 0.63 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2dku s LEU 18 Cb -0.82 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.30 2dku s LEU 18 CO 0.58 0.21 -0.08 -1.58 0.23 0.00 0.00 176.35 175.71 2dku s GLN 19 N -0.16 1.79 -0.01 1.70 0.74 -1.26 -1.00 119.66 121.46 2dku s GLN 19 Ca -0.01 -0.88 -0.07 0.00 0.05 0.00 0.00 55.36 54.45 2dku s GLN 19 Cb -0.12 -2.45 0.01 0.00 1.10 0.00 0.00 33.01 31.55 2dku s GLN 19 CO 0.02 -0.50 0.15 0.08 -0.55 0.00 0.00 175.29 174.49 2dku s VAL 20 N 1.42 0.06 0.35 1.34 1.01 -0.85 -5.00 120.40 118.73 2dku s VAL 20 Ca -0.03 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 2dku s VAL 20 Cb -0.17 -0.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.71 2dku s VAL 20 CO -0.07 -0.28 1.38 -1.61 0.00 0.00 0.00 175.10 174.51 2dku s GLU 21 N -1.02 4.26 0.74 2.72 2.02 -1.26 -1.91 118.70 124.25 2dku s GLU 21 Ca -0.11 2.35 -0.17 0.00 0.02 0.00 0.00 54.97 57.06 2dku s GLU 21 Cb -0.06 -3.03 -0.11 0.00 0.10 0.00 0.00 34.13 31.03 2dku s GLU 21 CO 0.01 -0.32 -0.10 -0.85 0.02 0.00 0.00 175.26 174.02 2dku n GLU 22 N 0.71 0.08 -3.31 1.61 0.28 0.67 -2.73 120.64 117.95 2dku n GLU 22 Ca 0.01 0.04 -0.20 0.00 -0.16 0.00 0.00 57.16 56.84 2dku n GLU 22 Cb 0.41 -1.29 0.06 0.00 1.43 0.00 0.00 31.44 32.04 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 0.97 -6.19 0.00 3.44 4.76 -0.26 -4.80 118.16 116.07 2dku n LYS 23 Ca 0.06 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 2dku n LYS 23 Cb 0.51 -5.39 0.00 0.00 -1.84 0.00 0.00 35.03 28.31 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 -1.70 5.20 2.70 0.72 0.00 -1.11 -4.73 105.19 106.27 2dku n GLY 24 Ca -0.02 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 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 3.55 -0.17 -0.24 2.61 2.01 -1.26 -2.47 115.64 119.67 2dku s THR 25 Ca 0.00 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2dku s THR 25 Cb 0.00 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.17 2dku s THR 25 CO 0.00 -0.04 -0.08 0.00 -0.69 0.00 0.00 174.62 173.81 2dku s ALA 26 N 2.21 2.19 -0.29 7.40 0.00 0.82 -4.95 121.76 129.12 2dku s ALA 26 Ca 0.04 -1.49 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 2dku s ALA 26 Cb -0.14 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 2dku s ALA 26 CO -0.07 -1.16 0.11 0.54 0.00 0.00 0.00 175.76 175.18 2dku s VAL 27 N 1.29 4.25 -0.75 0.00 0.11 -1.26 -1.29 120.40 122.76 2dku s VAL 27 Ca -0.07 -0.51 -0.27 0.00 -2.93 0.00 0.00 61.98 58.20 2dku s VAL 27 Cb -0.19 -3.15 0.03 0.00 -1.53 0.00 0.00 36.38 31.54 2dku s VAL 27 CO -0.06 0.11 1.27 -0.36 -3.33 0.00 0.00 175.10 172.74 2dku s PHE 28 N 1.56 2.30 -0.01 1.54 0.08 -0.86 -4.83 117.98 117.77 2dku s PHE 28 Ca 0.04 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.77 2dku s PHE 28 Cb -0.17 -4.62 -0.05 0.00 -0.57 0.00 0.00 43.02 37.61 2dku s PHE 28 CO 0.04 -2.06 0.65 0.95 -0.10 0.00 0.00 175.22 174.71 2dku s THR 29 N 5.65 4.90 0.30 0.64 -4.23 -1.26 -2.43 115.64 119.20 2dku s THR 29 Ca 0.35 1.37 0.02 0.00 -1.18 0.00 0.00 61.69 62.25 2dku s THR 29 Cb -0.08 -3.99 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 2dku s THR 29 CO 0.14 0.37 0.35 0.00 -0.54 0.00 0.00 174.62 174.94 2dku s LYS 31 N -2.89 1.17 -0.03 0.00 2.20 -0.96 -2.48 119.74 116.75 2dku s LYS 31 Ca 0.29 -1.28 -0.12 0.00 -0.36 0.00 0.00 55.97 54.50 2dku s LYS 31 Cb 0.00 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 2dku s LYS 31 CO 0.21 -0.42 0.26 0.95 -0.36 0.00 0.00 175.35 175.99 2dku s THR 32 N -4.01 0.05 0.25 3.43 -4.23 -1.01 -3.73 115.64 106.40 2dku s THR 32 Ca 0.22 -0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 2dku s THR 32 Cb 0.04 -0.52 0.20 0.00 1.34 0.00 0.00 72.50 73.56 2dku s THR 32 CO 0.03 -0.23 1.86 -0.08 -0.54 0.00 0.00 174.62 175.66 2dku h GLU 33 N 4.39 1.14 -6.42 3.99 4.81 -0.94 -3.43 114.58 118.13 2dku h GLU 33 Ca -0.29 -0.15 -0.62 0.00 -0.13 0.00 0.00 59.36 58.17 2dku h GLU 33 Cb 1.18 -0.22 -0.17 0.00 0.63 0.00 0.00 28.75 30.17 2dku h GLU 33 CO 0.39 0.86 -0.80 -1.01 -0.73 0.00 0.00 179.01 177.71 2dku s HIS 34 N -5.70 2.22 -1.10 0.92 3.76 -1.26 -5.00 115.29 109.13 2dku s HIS 34 Ca -0.12 -0.37 -0.23 0.00 -0.15 0.00 0.00 55.06 54.19 2dku s HIS 34 Cb 0.17 -1.07 -0.08 0.00 1.11 0.00 0.00 32.58 32.71 2dku s HIS 34 CO 0.82 0.52 1.94 -1.25 -0.85 0.00 0.00 174.74 175.92 2dku s PRO 35 N -2.88 2.51 -0.25 8.40 0.04 -1.26 -4.82 135.00 136.74 2dku s PRO 35 Ca 0.22 -0.90 -0.41 0.00 0.04 0.00 0.00 61.00 59.95 2dku s PRO 35 Cb -0.07 -5.19 -0.17 0.00 0.04 0.00 0.00 34.50 29.12 2dku s PRO 35 CO 0.10 -3.81 1.65 0.00 0.04 0.00 0.00 177.00 174.99 2dku n ALA 36 N 14.28 -0.56 0.36 8.56 0.00 -1.26 -4.81 120.51 137.08 2dku n ALA 36 Ca 0.43 0.43 0.14 0.00 0.00 0.00 0.00 53.44 54.44 2dku n ALA 36 Cb 0.47 -2.15 0.53 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 h ALA 37 N 6.43 1.00 -2.58 0.00 0.00 -1.91 -3.44 119.26 118.76 2dku h ALA 37 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2dku h ALA 37 Cb 1.33 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.91 2dku h ALA 37 CO 0.93 0.00 -0.30 -0.08 0.00 0.00 0.00 179.25 179.80 2dku s THR 38 N -3.43 0.05 -0.06 0.00 -1.32 -1.26 -5.15 115.64 104.47 2dku s THR 38 Ca 0.04 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 60.06 2dku s THR 38 Cb 0.09 -0.58 0.03 0.00 -1.51 0.00 0.00 72.50 70.53 2dku s THR 38 CO 0.50 -0.24 0.05 -0.69 -2.21 0.00 0.00 174.62 172.03 2dku s VAL 39 N -1.15 -0.02 -0.33 5.08 1.01 -1.26 -4.41 120.40 119.32 2dku s VAL 39 Ca -0.12 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2dku s VAL 39 Cb -0.05 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.15 2dku s VAL 39 CO 0.04 0.14 0.04 -0.89 0.00 0.00 0.00 175.10 174.43 2dku s THR 40 N 2.13 2.57 0.66 3.92 2.01 -0.14 -4.97 115.64 121.83 2dku s THR 40 Ca 0.05 -2.01 -0.11 0.00 0.31 0.00 0.00 61.69 59.93 2dku s THR 40 Cb -0.12 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2dku s THR 40 CO -0.04 -0.43 1.05 0.26 -0.69 0.00 0.00 174.62 174.76 2dku s TRP 41 N 1.04 3.27 -0.03 4.92 0.52 -1.26 -1.81 118.94 125.59 2dku s TRP 41 Ca 0.04 1.39 -0.02 0.00 0.02 0.00 0.00 56.10 57.53 2dku s TRP 41 Cb -0.20 -2.84 0.01 0.00 -1.15 0.00 0.00 33.47 29.29 2dku s TRP 41 CO -0.06 -1.03 0.07 0.50 0.02 0.00 0.00 176.95 176.46 2dku s ARG 42 N -4.97 0.07 -0.08 4.98 3.52 0.12 -1.04 118.95 121.56 2dku s ARG 42 Ca 0.58 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 2dku s ARG 42 Cb -0.13 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2dku s ARG 42 CO 0.52 -0.04 -0.07 0.21 -0.81 0.00 0.00 175.30 175.11 2dku s LYS 43 N 0.28 1.25 -1.17 5.12 2.20 0.15 0.08 119.74 127.65 2dku s LYS 43 Ca -0.02 -0.20 -0.25 0.00 -0.36 0.00 0.00 55.97 55.14 2dku s LYS 43 Cb -0.03 -1.25 0.01 0.00 -1.51 0.00 0.00 37.83 35.05 2dku s LYS 43 CO -0.01 -0.14 0.75 0.41 -0.36 0.00 0.00 175.35 176.00 2dku n GLY 44 N 4.43 -0.93 3.30 5.54 0.00 -1.11 -0.63 105.19 115.79 2dku n GLY 44 Ca -0.18 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.46 -2.05 -4.05 0.99 4.32 -1.26 -4.96 117.00 105.53 2dku n LEU 45 Ca -0.10 -0.39 -0.13 0.00 -0.02 0.00 0.00 56.01 55.37 2dku n LEU 45 Cb 0.58 -2.47 -0.12 0.00 -1.62 0.00 0.00 43.42 39.80 2dku n LEU 45 CO 0.70 0.22 -0.40 -0.22 -1.22 0.00 0.00 177.39 176.46 2dku s LEU 46 N -6.64 2.23 -0.00 2.23 2.96 0.20 -5.14 118.68 114.52 2dku s LEU 46 Ca 0.39 -0.49 -0.25 0.00 -0.22 0.00 0.00 54.13 53.56 2dku s LEU 46 Cb -0.20 -0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 2dku s LEU 46 CO 0.48 -0.17 0.77 -0.70 -1.32 0.00 0.00 176.35 175.41 2dku s GLU 47 N -1.40 4.48 0.03 1.98 2.12 -1.26 0.31 118.70 124.95 2dku s GLU 47 Ca -0.09 1.04 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 2dku s GLU 47 Cb -0.09 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2dku s GLU 47 CO 0.00 0.15 0.17 -0.51 -0.54 0.00 0.00 175.26 174.54 2dku s LEU 48 N 0.42 4.25 -0.00 2.70 1.43 -0.21 -4.86 118.68 122.41 2dku s LEU 48 Ca 0.40 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2dku s LEU 48 Cb -0.19 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 2dku s LEU 48 CO 0.22 0.22 -0.04 0.00 0.23 0.00 0.00 176.35 176.98 2dku s ARG 49 N -2.19 0.32 -0.83 1.70 1.70 -1.26 -4.34 118.95 114.05 2dku s ARG 49 Ca 0.30 -0.14 -0.32 0.00 -0.47 0.00 0.00 55.73 55.09 2dku s ARG 49 Cb -0.13 -0.31 -0.19 0.00 -0.57 0.00 0.00 34.95 33.75 2dku s ARG 49 CO 0.22 0.09 2.56 0.00 -1.08 0.00 0.00 175.30 177.08 2dku n ALA 50 N 2.98 0.39 -2.29 7.88 0.00 -1.25 -4.66 120.51 123.56 2dku n ALA 50 Ca -0.13 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 2dku n ALA 50 Cb 0.59 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 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 8.91 1.17 0.65 0.00 0.15 -0.15 -4.98 113.70 119.46 2dku s SER 51 Ca 1.27 -1.53 0.21 0.00 0.70 0.00 0.00 55.95 56.61 2dku s SER 51 Cb -1.13 0.39 1.12 0.00 -1.71 0.00 0.00 66.02 64.70 2dku s SER 51 CO 0.48 -0.89 1.63 1.23 1.20 0.00 0.00 173.24 176.90 2dku h GLY 52 N 2.32 0.00 0.00 9.45 0.00 -1.99 -2.80 103.07 110.05 2dku h GLY 52 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2dku h GLY 52 CO 0.51 0.00 -0.16 1.17 0.00 0.00 0.00 176.54 178.05 2dku n LYS 53 N -2.89 0.11 -3.10 4.80 3.00 -1.26 -4.74 118.16 114.08 2dku n LYS 53 Ca 0.01 0.22 -0.45 0.00 -0.00 0.00 0.00 58.31 58.10 2dku n LYS 53 Cb 0.64 -0.89 -0.04 0.00 0.00 0.00 0.00 35.03 34.74 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 -1.35 3.05 -0.77 5.64 3.76 -1.06 -3.22 115.29 121.34 2dku s HIS 54 Ca -0.05 -1.05 -0.06 0.00 -0.15 0.00 0.00 55.06 53.75 2dku s HIS 54 Cb 0.01 -4.03 0.20 0.00 1.11 0.00 0.00 32.58 29.86 2dku s HIS 54 CO 0.07 -1.30 0.64 -1.14 -0.85 0.00 0.00 174.74 172.15 2dku s GLN 55 N 2.56 3.09 1.10 1.40 -0.44 -0.81 -0.98 119.66 125.59 2dku s GLN 55 Ca 0.14 -2.72 -0.16 0.00 -2.50 0.00 0.00 55.36 50.12 2dku s GLN 55 Cb -0.22 -4.01 0.24 0.00 -1.64 0.00 0.00 33.01 27.38 2dku s GLN 55 CO 0.04 -1.23 1.10 -1.25 0.50 0.00 0.00 175.29 174.45 2dku s PRO 56 N -0.36 -0.42 0.34 1.67 0.04 -1.26 -2.90 135.00 132.10 2dku s PRO 56 Ca 0.20 0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.41 2dku s PRO 56 Cb -0.14 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2dku s PRO 56 CO -0.07 -3.24 0.53 0.45 0.04 0.00 0.00 177.00 174.71 2dku s SER 57 N -3.66 0.67 -0.22 6.66 0.15 -0.80 -4.93 113.70 111.57 2dku s SER 57 Ca 0.68 -1.38 -0.03 0.00 0.70 0.00 0.00 55.95 55.92 2dku s SER 57 Cb -0.14 0.69 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 2dku s SER 57 CO 0.57 -1.35 0.29 -1.58 1.20 0.00 0.00 173.24 172.37 2dku s GLN 58 N -3.02 0.26 -0.56 5.44 2.00 -1.26 -4.29 119.66 118.22 2dku s GLN 58 Ca 0.27 0.36 0.05 0.00 -2.00 0.00 0.00 55.36 54.04 2dku s GLN 58 Cb -0.01 -0.86 0.19 0.00 0.80 0.00 0.00 33.01 33.12 2dku s GLN 58 CO 0.18 -0.64 0.47 0.39 -0.50 0.00 0.00 175.29 175.19 2dku n GLU 59 N 5.34 1.19 0.00 1.67 -0.58 -0.55 -5.04 120.64 122.66 2dku n GLU 59 Ca -0.05 -3.90 0.00 0.00 -0.42 0.00 0.00 57.16 52.79 2dku n GLU 59 Cb 0.50 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2dku n GLU 59 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dku n GLY 60 N 2.12 3.72 1.55 0.62 0.00 -1.26 -1.44 105.19 110.50 2dku n GLY 60 Ca 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 4.56 -4.06 0.99 4.77 -1.26 -4.40 117.00 117.60 2dku n LEU 61 Ca 0.00 -2.36 -0.21 0.00 -0.03 0.00 0.00 56.01 53.41 2dku n LEU 61 Cb 0.00 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.28 2dku n LEU 61 CO 0.00 0.63 -0.45 -0.89 -1.33 0.00 0.00 177.39 175.35 2dku s THR 62 N -2.11 0.93 0.03 -5.08 2.01 -0.52 -2.41 115.64 108.49 2dku s THR 62 Ca 0.35 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 2dku s THR 62 Cb 0.28 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2dku s THR 62 CO 0.09 0.27 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.49 2dku s LEU 63 N -0.15 2.33 -0.06 4.42 1.43 -1.03 -1.48 118.68 124.13 2dku s LEU 63 Ca 0.02 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2dku s LEU 63 Cb -0.06 0.12 0.09 0.00 0.03 0.00 0.00 46.19 46.37 2dku s LEU 63 CO -0.00 -0.40 0.76 0.00 0.23 0.00 0.00 176.35 176.94 2dku s ARG 64 N -2.30 0.95 -0.27 1.70 1.70 -1.26 -0.77 118.95 118.71 2dku s ARG 64 Ca -0.08 0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 2dku s ARG 64 Cb -0.04 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.87 2dku s ARG 64 CO -0.04 -0.31 0.02 -1.17 -1.08 0.00 0.00 175.30 172.72 2dku s LEU 65 N -1.34 2.55 -0.21 -1.89 2.96 -1.02 -1.90 118.68 117.83 2dku s LEU 65 Ca -0.07 -1.40 -0.29 0.00 -0.22 0.00 0.00 54.13 52.15 2dku s LEU 65 Cb -0.00 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.63 2dku s LEU 65 CO 0.05 -0.32 1.20 -0.89 -1.32 0.00 0.00 176.35 175.07 2dku s THR 66 N 1.47 4.38 -0.21 3.68 2.01 -1.14 -2.03 115.64 123.79 2dku s THR 66 Ca 0.02 1.65 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 2dku s THR 66 Cb -0.18 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2dku s THR 66 CO -0.12 -0.22 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.84 2dku s ILE 67 N 3.56 2.67 0.41 1.82 1.01 -0.41 -1.92 121.20 128.34 2dku s ILE 67 Ca 0.52 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2dku s ILE 67 Cb -0.19 -2.22 -0.06 0.00 0.01 0.00 0.00 42.46 40.01 2dku s ILE 67 CO 0.14 0.42 0.13 -0.55 0.00 0.00 0.00 174.94 175.07 2dku s SER 68 N 1.36 4.25 -1.71 3.58 0.15 -1.20 -0.13 113.70 119.99 2dku s SER 68 Ca 0.04 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.51 2dku s SER 68 Cb -0.14 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2dku s SER 68 CO -0.08 -0.52 0.00 0.00 1.20 0.00 0.00 173.24 173.85 2dku n ALA 69 N -1.15 -0.50 -0.72 5.45 0.00 -1.03 -4.84 120.51 117.72 2dku n ALA 69 Ca -0.02 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 2dku n ALA 69 Cb 0.65 -2.02 0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.60 -2.32 -3.82 0.00 4.77 -1.26 -4.58 117.00 107.19 2dku n LEU 70 Ca -0.22 -0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 55.53 2dku n LEU 70 Cb 0.66 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2dku n LEU 70 CO 0.27 -2.95 0.52 -1.83 -1.33 0.00 0.00 177.39 172.07 2dku s GLU 71 N -3.09 2.11 0.24 3.23 -1.05 -1.26 -1.11 118.70 117.77 2dku s GLU 71 Ca 0.47 -1.32 0.20 0.00 -0.15 0.00 0.00 54.97 54.17 2dku s GLU 71 Cb -0.05 0.62 0.93 0.00 -0.44 0.00 0.00 34.13 35.19 2dku s GLU 71 CO 0.59 -0.99 1.60 1.63 0.95 0.00 0.00 175.26 179.04 2dku n LYS 72 N -0.51 0.14 -0.06 -4.83 5.02 -1.26 -2.54 118.16 114.11 2dku n LYS 72 Ca -0.07 0.50 -0.22 0.00 -2.02 0.00 0.00 58.31 56.50 2dku n LYS 72 Cb 0.60 -1.84 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 2dku n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dku h ALA 73 N 2.15 0.32 -1.20 7.82 0.00 -1.96 -3.36 119.26 123.04 2dku h ALA 73 Ca 0.00 -1.28 0.39 0.00 0.00 0.00 0.00 54.91 54.02 2dku h ALA 73 Cb 0.17 0.73 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 2dku h ALA 73 CO 0.00 0.93 0.75 -0.44 0.00 0.00 0.00 179.25 180.49 2dku h ASP 74 N -0.60 0.33 -0.55 0.00 5.19 -1.88 -3.37 116.42 115.53 2dku h ASP 74 Ca -0.38 0.14 -0.34 0.00 -0.62 0.00 0.00 57.03 55.84 2dku h ASP 74 Cb 1.58 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 41.16 2dku h ASP 74 CO -0.10 -0.14 1.36 -1.54 -3.12 0.00 0.00 179.24 175.70 2dku n SER 75 N -4.77 0.88 -2.87 6.45 3.41 -1.23 -4.78 113.62 110.69 2dku n SER 75 Ca 0.34 -0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 58.27 2dku n SER 75 Cb 1.25 -1.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 2dku n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dku s ASP 76 N 8.53 0.13 -0.30 4.04 2.15 -1.25 -4.95 116.67 125.01 2dku s ASP 76 Ca 1.14 -1.23 -0.22 0.00 0.43 0.00 0.00 52.55 52.67 2dku s ASP 76 Cb -0.58 0.85 -0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2dku s ASP 76 CO 0.34 -1.68 0.72 -0.89 -0.17 0.00 0.00 175.17 173.49 2dku s THR 77 N -2.24 4.86 0.17 1.71 2.01 -1.26 -3.11 115.64 117.77 2dku s THR 77 Ca 0.17 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2dku s THR 77 Cb -0.05 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2dku s THR 77 CO 0.13 -0.18 0.27 -0.31 -0.69 0.00 0.00 174.62 173.84 2dku s TYR 78 N 2.79 3.42 -0.06 4.92 1.51 -0.96 -2.75 117.35 126.22 2dku s TYR 78 Ca 0.29 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 2dku s TYR 78 Cb -0.15 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 2dku s TYR 78 CO 0.12 0.50 0.04 0.99 -1.11 0.00 0.00 175.55 176.09 2dku s THR 79 N -1.79 0.06 -0.42 -0.71 2.01 0.11 -2.48 115.64 112.42 2dku s THR 79 Ca 0.34 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 2dku s THR 79 Cb -0.10 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.11 2dku s THR 79 CO 0.28 0.17 0.45 0.00 -0.69 0.00 0.00 174.62 174.83 2dku s ASP 81 N 1.82 6.45 0.00 0.00 2.15 -0.75 -1.24 116.67 125.10 2dku s ASP 81 Ca 0.13 0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.59 2dku s ASP 81 Cb -0.17 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2dku s ASP 81 CO 0.14 0.19 0.00 2.30 -0.17 0.00 0.00 175.17 177.63 2dku n ILE 82 N 0.68 0.00 0.00 4.11 -5.35 -0.79 -0.96 119.36 117.05 2dku n ILE 82 Ca -0.08 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2dku n ILE 82 Cb 0.52 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 0.96 3.20 0.06 3.28 0.00 -1.26 -4.49 105.19 106.94 2dku n GLY 83 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 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 1.71 -4.10 1.61 3.00 -1.26 -5.06 117.38 113.28 2dku n GLN 84 Ca 0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2dku n GLN 84 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 30.24 28.83 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dku s ALA 85 N -2.38 0.56 -0.05 -1.58 0.00 -1.26 -4.84 121.76 112.22 2dku s ALA 85 Ca -0.06 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 2dku s ALA 85 Cb 0.04 1.22 0.02 0.00 0.00 0.00 0.00 23.12 24.40 2dku s ALA 85 CO 0.55 -0.74 0.28 -0.65 0.00 0.00 0.00 175.76 175.20 2dku s GLN 86 N -3.81 0.52 0.57 0.00 1.11 -1.26 -1.89 119.66 114.90 2dku s GLN 86 Ca 0.31 0.00 0.06 0.00 0.01 0.00 0.00 55.36 55.74 2dku s GLN 86 Cb 0.02 0.23 0.06 0.00 -1.01 0.00 0.00 33.01 32.31 2dku s GLN 86 CO 0.14 -0.12 0.51 0.45 0.01 0.00 0.00 175.29 176.28 2dku s SER 87 N -0.78 4.71 -0.16 5.90 0.15 -0.37 -4.91 113.70 118.24 2dku s SER 87 Ca -0.09 -1.19 -0.20 0.00 0.70 0.00 0.00 55.95 55.17 2dku s SER 87 Cb -0.04 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 2dku s SER 87 CO 0.02 -1.22 0.52 -0.13 1.20 0.00 0.00 173.24 173.64 2dku s ARG 88 N -4.40 0.68 -0.18 5.44 0.52 -1.26 -2.69 118.95 117.06 2dku s ARG 88 Ca 0.40 0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 56.00 2dku s ARG 88 Cb -0.03 0.33 0.05 0.00 0.52 0.00 0.00 34.95 35.81 2dku s ARG 88 CO 0.25 -0.12 0.50 0.00 0.02 0.00 0.00 175.30 175.96 2dku s ALA 89 N -0.09 -1.25 -0.16 2.13 0.00 -1.03 -4.52 121.76 116.84 2dku s ALA 89 Ca -0.03 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 2dku s ALA 89 Cb -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2dku s ALA 89 CO 0.02 -0.24 0.24 -0.65 0.00 0.00 0.00 175.76 175.13 2dku s GLN 90 N 0.15 4.12 -0.08 0.00 -0.21 -1.26 -2.26 119.66 120.12 2dku s GLN 90 Ca -0.01 -0.00 -0.01 0.00 0.02 0.00 0.00 55.36 55.36 2dku s GLN 90 Cb -0.03 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 2dku s GLN 90 CO 0.01 0.35 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.33 2dku s LEU 91 N 0.17 3.43 -0.24 2.90 2.96 -1.18 -2.69 118.68 124.04 2dku s LEU 91 Ca 0.14 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 2dku s LEU 91 Cb -0.13 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.84 2dku s LEU 91 CO 0.03 0.37 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.09 2dku s LEU 92 N -0.85 3.17 -0.62 -0.68 2.96 -0.17 -3.88 118.68 118.62 2dku s LEU 92 Ca 0.13 -1.20 -0.20 0.00 -0.22 0.00 0.00 54.13 52.64 2dku s LEU 92 Cb -0.11 -1.55 0.10 0.00 0.50 0.00 0.00 46.19 45.13 2dku s LEU 92 CO 0.02 -0.15 0.77 -0.69 -1.32 0.00 0.00 176.35 174.98 2dku s VAL 93 N 1.16 4.71 0.52 1.68 1.01 -1.26 -2.00 120.40 126.23 2dku s VAL 93 Ca -0.05 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 2dku s VAL 93 Cb -0.18 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 2dku s VAL 93 CO -0.07 -1.21 1.13 -1.10 0.00 0.00 0.00 175.10 173.85 2dku s GLN 94 N 2.97 3.48 -0.63 2.72 -1.52 -0.80 -4.65 119.66 121.24 2dku s GLN 94 Ca 0.14 1.62 -0.24 0.00 -1.95 0.00 0.00 55.36 54.94 2dku s GLN 94 Cb -0.22 -2.10 0.05 0.00 -0.22 0.00 0.00 33.01 30.52 2dku s GLN 94 CO 0.07 -0.74 1.01 0.20 -0.25 0.00 0.00 175.29 175.57 2dku s GLY 95 N -1.70 1.30 0.50 3.09 0.00 -1.26 -0.24 107.32 109.01 2dku s GLY 95 Ca 0.70 -1.53 0.32 0.00 0.00 0.00 0.00 44.72 44.22 2dku s GLY 95 CO 0.28 2.16 1.76 0.07 0.00 0.00 0.00 173.10 177.37 2dku h ARG 96 N 9.54 0.11 0.00 2.90 0.11 -1.92 -3.25 114.38 121.87 2dku h ARG 96 Ca -0.28 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.80 2dku h ARG 96 Cb 1.07 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2dku h ARG 96 CO 1.16 0.07 -0.70 -2.13 0.10 0.00 0.00 179.97 178.48 2dku n ARG 97 N -4.33 0.00 -4.11 0.08 0.63 -1.26 -5.02 116.66 102.65 2dku n ARG 97 Ca 0.28 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.87 2dku n ARG 97 Cb 1.22 -0.61 -0.08 0.00 0.45 0.00 0.00 32.46 33.45 2dku n ARG 97 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dku n SER 98 N -2.51 -0.72 0.00 6.15 2.88 -1.23 -4.42 113.62 113.77 2dku n SER 98 Ca 0.00 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 2dku n SER 98 Cb 0.35 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 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 -1.48 0.27 3.77 0.46 0.00 -1.26 -4.78 105.19 102.18 2dku n GLY 99 Ca -0.03 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 4.06 0.27 1.61 0.04 -1.26 -5.05 135.00 134.67 2dku s PRO 100 Ca 0.00 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 2dku s PRO 100 Cb 0.00 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 2dku s PRO 100 CO 0.00 -0.33 0.42 -1.12 0.04 0.00 0.00 177.00 176.01 2dku s SER 101 N -1.06 0.26 -0.21 6.66 0.01 -1.26 -5.10 113.70 113.00 2dku s SER 101 Ca 0.56 -1.19 -0.16 0.00 1.31 0.00 0.00 55.95 56.48 2dku s SER 101 Cb -0.32 0.57 -0.09 0.00 0.21 0.00 0.00 66.02 66.40 2dku s SER 101 CO 0.40 -1.14 -0.28 -1.54 0.41 0.00 0.00 173.24 171.10 2dku n SER 102 N -0.68 1.92 0.00 2.44 3.41 -1.26 -5.26 113.62 114.19 2dku n SER 102 Ca -0.00 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 2dku n SER 102 Cb 0.63 -0.81 0.66 0.00 -0.26 0.00 0.00 64.21 64.43 2dku n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49