#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 4.78 -0.13 1.61 0.01 -1.26 -5.10 113.70 113.60 2dku s SER 2 Ca 0.00 -0.65 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 2dku s SER 2 Cb 0.00 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 2dku s SER 2 CO 0.00 -0.17 0.73 -0.55 0.41 0.00 0.00 173.24 173.67 2dku s SER 3 N -3.79 6.91 -0.05 2.44 0.15 -1.26 -4.97 113.70 113.13 2dku s SER 3 Ca 0.35 1.11 -0.06 0.00 0.70 0.00 0.00 55.95 58.05 2dku s SER 3 Cb -0.05 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2dku s SER 3 CO 0.22 -0.25 -0.11 0.61 1.20 0.00 0.00 173.24 174.91 2dku n GLY 4 N 3.37 -0.40 0.47 9.45 0.00 -1.26 -4.98 105.19 111.84 2dku n GLY 4 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2dku n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dku n SER 5 N -3.22 1.84 -4.55 1.61 3.41 -1.26 -4.99 113.62 106.46 2dku n SER 5 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 2dku n SER 5 Cb 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -4.20 6.44 0.00 4.04 0.15 -1.26 -4.93 113.70 113.94 2dku s SER 6 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dku s SER 6 Cb 0.00 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dku s SER 6 CO 0.00 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2dku n GLY 7 N 5.01 3.76 3.65 9.45 0.00 -1.26 -4.93 105.19 120.88 2dku n GLY 7 Ca 0.05 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.87 3.19 0.66 4.61 0.00 -1.26 -5.07 121.76 122.02 2dku s ALA 8 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2dku s ALA 8 Cb 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.87 2dku s ALA 8 CO 0.00 0.62 0.95 -0.80 0.00 0.00 0.00 175.76 176.54 2dku s ASN 9 N -1.37 4.96 0.14 0.00 -0.87 -1.26 -4.96 114.94 111.59 2dku s ASN 9 Ca 0.17 0.36 -0.23 0.00 -1.57 0.00 0.00 52.86 51.60 2dku s ASN 9 Cb -0.11 -1.08 0.07 0.00 -0.02 0.00 0.00 41.25 40.10 2dku s ASN 9 CO 0.08 -1.47 0.59 0.00 -2.57 0.00 0.00 177.10 173.74 2dku s PHE 11 N -3.58 3.18 0.27 0.00 0.40 -1.26 0.06 117.98 117.04 2dku s PHE 11 Ca 0.00 -0.50 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 2dku s PHE 11 Cb -0.01 -2.94 0.36 0.00 0.51 0.00 0.00 43.02 40.95 2dku s PHE 11 CO -0.11 -0.73 1.64 1.79 0.70 0.00 0.00 175.22 178.50 2dku h THR 12 N 5.73 1.35 -3.09 0.64 1.35 -1.80 -3.40 112.91 113.69 2dku h THR 12 Ca -0.27 -1.75 -0.58 0.00 -0.55 0.00 0.00 66.41 63.26 2dku h THR 12 Cb 1.11 1.85 -0.40 0.00 -1.73 0.00 0.00 68.15 68.98 2dku h THR 12 CO 0.81 0.52 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.23 2dku s GLU 13 N -3.95 0.68 0.71 4.72 2.02 -1.25 -5.01 118.70 116.62 2dku s GLU 13 Ca -0.04 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.72 2dku s GLU 13 Cb 0.13 -1.90 0.03 0.00 0.10 0.00 0.00 34.13 32.48 2dku s GLU 13 CO 0.78 -1.01 1.24 -1.21 0.02 0.00 0.00 175.26 175.09 2dku s GLU 14 N 1.59 2.22 1.23 1.61 2.02 -1.26 -2.46 118.70 123.65 2dku s GLU 14 Ca 0.10 1.88 -0.18 0.00 0.02 0.00 0.00 54.97 56.79 2dku s GLU 14 Cb -0.18 -1.83 0.27 0.00 0.10 0.00 0.00 34.13 32.50 2dku s GLU 14 CO -0.25 -1.81 0.61 1.28 0.02 0.00 0.00 175.26 175.11 2dku n LEU 15 N -2.49 -0.95 -3.64 1.80 4.77 -1.26 -4.90 117.00 110.33 2dku n LEU 15 Ca 0.14 -0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 2dku n LEU 15 Cb 0.49 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2dku n LEU 15 CO 0.47 -3.86 -0.19 0.28 -1.33 0.00 0.00 177.39 172.75 2dku s THR 16 N -2.12 -0.33 -0.24 -5.08 -1.32 -1.26 -4.96 115.64 100.33 2dku s THR 16 Ca 0.53 0.26 -0.41 0.00 -1.21 0.00 0.00 61.69 60.85 2dku s THR 16 Cb -0.10 -0.41 -0.19 0.00 -1.51 0.00 0.00 72.50 70.29 2dku s THR 16 CO 0.47 0.08 1.26 -0.46 -2.21 0.00 0.00 174.62 173.75 2dku n ASN 17 N 5.33 0.57 -4.85 8.08 0.23 -1.26 -4.90 115.26 118.47 2dku n ASN 17 Ca -0.05 1.10 -0.33 0.00 -0.53 0.00 0.00 54.58 54.77 2dku n ASN 17 Cb 0.50 -0.84 -0.06 0.00 -2.08 0.00 0.00 39.78 37.30 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 1.43 4.17 -0.17 -4.53 1.43 -1.00 -4.98 118.68 115.03 2dku s LEU 18 Ca 0.92 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 2dku s LEU 18 Cb -1.30 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2dku s LEU 18 CO 0.65 0.26 -0.04 -1.58 0.23 0.00 0.00 176.35 175.88 2dku s GLN 19 N -1.88 1.30 0.09 1.70 -0.44 -1.26 -1.35 119.66 117.82 2dku s GLN 19 Ca 0.26 -0.50 -0.12 0.00 -2.50 0.00 0.00 55.36 52.50 2dku s GLN 19 Cb -0.12 -2.00 0.01 0.00 -1.64 0.00 0.00 33.01 29.26 2dku s GLN 19 CO 0.17 -0.46 0.27 0.08 0.50 0.00 0.00 175.29 175.85 2dku s VAL 20 N 1.66 0.11 0.23 1.34 1.01 -0.43 -5.00 120.40 119.32 2dku s VAL 20 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 2dku s VAL 20 Cb -0.16 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 2dku s VAL 20 CO -0.07 -0.49 0.82 -1.83 0.00 0.00 0.00 175.10 173.52 2dku s GLU 21 N -3.49 4.51 0.99 2.72 -1.05 -1.26 0.41 118.70 121.53 2dku s GLU 21 Ca 0.02 1.15 -0.16 0.00 -0.15 0.00 0.00 54.97 55.82 2dku s GLU 21 Cb 0.02 -3.04 -0.12 0.00 -0.44 0.00 0.00 34.13 30.55 2dku s GLU 21 CO -0.09 0.45 -0.61 -0.85 0.95 0.00 0.00 175.26 175.10 2dku n GLU 22 N 1.08 -0.05 -2.31 -4.83 0.28 0.59 -2.46 120.64 112.94 2dku n GLU 22 Ca -0.02 -0.01 -0.20 0.00 -0.16 0.00 0.00 57.16 56.77 2dku n GLU 22 Cb 0.50 -1.14 -0.02 0.00 1.43 0.00 0.00 31.44 32.21 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 1.82 -1.56 0.00 3.44 4.76 -0.83 -4.70 118.16 121.10 2dku n LYS 23 Ca -0.01 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 2dku n LYS 23 Cb 0.56 -5.55 0.00 0.00 -1.84 0.00 0.00 35.03 28.20 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 -0.98 4.12 2.76 0.72 0.00 -1.03 -4.78 105.19 106.00 2dku n GLY 24 Ca -0.23 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 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 3.37 -0.22 -0.17 2.61 2.01 -1.26 -2.69 115.64 119.29 2dku s THR 25 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2dku s THR 25 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.17 2dku s THR 25 CO 0.00 0.05 -0.19 0.00 -0.69 0.00 0.00 174.62 173.79 2dku s ALA 26 N 2.25 2.37 -0.26 7.40 0.00 -0.55 -4.97 121.76 128.01 2dku s ALA 26 Ca 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2dku s ALA 26 Cb -0.13 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.88 2dku s ALA 26 CO -0.06 -0.23 -0.08 0.54 0.00 0.00 0.00 175.76 175.93 2dku s VAL 27 N 1.11 1.98 -0.53 0.00 0.11 -1.26 0.21 120.40 122.01 2dku s VAL 27 Ca 0.00 -1.57 -0.28 0.00 -2.93 0.00 0.00 61.98 57.20 2dku s VAL 27 Cb -0.14 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 2dku s VAL 27 CO -0.07 -0.10 1.53 -0.36 -3.33 0.00 0.00 175.10 172.76 2dku s PHE 28 N 1.18 2.13 -0.13 1.54 0.08 -0.81 -4.82 117.98 117.15 2dku s PHE 28 Ca -0.06 0.55 -0.17 0.00 0.12 0.00 0.00 56.93 57.37 2dku s PHE 28 Cb -0.20 -4.31 -0.04 0.00 -0.57 0.00 0.00 43.02 37.90 2dku s PHE 28 CO -0.06 -2.15 0.42 0.95 -0.10 0.00 0.00 175.22 174.28 2dku s THR 29 N 6.60 5.22 0.27 0.64 -4.23 -1.26 -2.23 115.64 120.65 2dku s THR 29 Ca 0.58 0.83 0.03 0.00 -1.18 0.00 0.00 61.69 61.96 2dku s THR 29 Cb -0.13 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2dku s THR 29 CO 0.26 0.34 0.19 0.00 -0.54 0.00 0.00 174.62 174.87 2dku s LYS 31 N -3.81 0.80 0.08 0.00 2.20 -1.03 -2.15 119.74 115.84 2dku s LYS 31 Ca 0.39 -1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 54.62 2dku s LYS 31 Cb 0.05 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 2dku s LYS 31 CO 0.19 -0.20 0.08 0.95 -0.36 0.00 0.00 175.35 176.01 2dku s THR 32 N -3.99 0.17 0.01 3.43 -4.23 -0.92 -3.29 115.64 106.81 2dku s THR 32 Ca 0.17 -1.58 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 2dku s THR 32 Cb 0.08 -1.55 -0.29 0.00 1.34 0.00 0.00 72.50 72.07 2dku s THR 32 CO -0.03 -0.76 1.03 -0.08 -0.54 0.00 0.00 174.62 174.23 2dku h GLU 33 N 2.94 0.48 -6.73 3.99 4.57 -0.69 -3.42 114.58 115.72 2dku h GLU 33 Ca -0.34 -0.67 -0.67 0.00 -1.18 0.00 0.00 59.36 56.50 2dku h GLU 33 Cb 1.17 0.23 -0.19 0.00 -0.16 0.00 0.00 28.75 29.80 2dku h GLU 33 CO 0.61 1.29 -0.82 -1.01 -1.18 0.00 0.00 179.01 177.90 2dku s HIS 34 N -2.82 2.42 -0.72 0.92 3.76 -1.26 -5.01 115.29 112.57 2dku s HIS 34 Ca -0.11 -0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 2dku s HIS 34 Cb 0.04 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 2dku s HIS 34 CO 0.88 0.41 1.90 -1.25 -0.85 0.00 0.00 174.74 175.83 2dku s PRO 35 N -2.31 2.59 1.05 8.40 0.04 -1.26 -4.90 135.00 138.61 2dku s PRO 35 Ca 0.18 0.26 -0.12 0.00 0.04 0.00 0.00 61.00 61.36 2dku s PRO 35 Cb -0.10 -4.65 0.21 0.00 0.04 0.00 0.00 34.50 30.00 2dku s PRO 35 CO 0.09 -2.99 0.97 0.00 0.04 0.00 0.00 177.00 175.10 2dku n ALA 36 N 13.27 -2.12 -0.07 8.56 0.00 -1.26 -4.98 120.51 133.91 2dku n ALA 36 Ca 0.28 -0.90 -0.06 0.00 0.00 0.00 0.00 53.44 52.76 2dku n ALA 36 Cb 0.50 -2.04 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 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 -4.57 1.70 -3.16 0.00 0.00 -1.26 -5.02 120.51 108.20 2dku n ALA 37 Ca 0.07 -0.99 -0.12 0.00 0.00 0.00 0.00 53.44 52.39 2dku n ALA 37 Cb 0.54 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.46 0.06 -0.05 0.00 -1.32 -1.26 -5.16 115.64 105.45 2dku s THR 38 Ca -0.08 -0.50 0.01 0.00 -1.21 0.00 0.00 61.69 59.91 2dku s THR 38 Cb 0.05 -0.49 0.02 0.00 -1.51 0.00 0.00 72.50 70.57 2dku s THR 38 CO 0.66 -0.28 -0.04 -0.69 -2.21 0.00 0.00 174.62 172.06 2dku s VAL 39 N -1.14 0.57 -0.36 5.08 1.01 -1.26 -4.50 120.40 119.80 2dku s VAL 39 Ca -0.12 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2dku s VAL 39 Cb -0.06 -0.60 0.10 0.00 0.00 0.00 0.00 36.38 35.82 2dku s VAL 39 CO 0.02 0.24 0.07 -0.89 0.00 0.00 0.00 175.10 174.55 2dku s THR 40 N 1.07 2.34 0.43 3.92 2.01 0.17 -4.99 115.64 120.59 2dku s THR 40 Ca -0.09 -2.43 -0.23 0.00 0.31 0.00 0.00 61.69 59.25 2dku s THR 40 Cb -0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 2dku s THR 40 CO -0.01 -0.62 1.07 0.26 -0.69 0.00 0.00 174.62 174.63 2dku s TRP 41 N 0.80 3.14 -0.06 4.92 0.52 -1.26 -2.64 118.94 124.36 2dku s TRP 41 Ca 0.11 1.61 0.02 0.00 0.02 0.00 0.00 56.10 57.86 2dku s TRP 41 Cb -0.20 -3.15 0.02 0.00 -1.15 0.00 0.00 33.47 28.98 2dku s TRP 41 CO -0.07 -0.81 -0.10 0.50 0.02 0.00 0.00 176.95 176.49 2dku s ARG 42 N -2.69 1.43 -0.11 4.98 3.52 0.12 -0.43 118.95 125.76 2dku s ARG 42 Ca 0.61 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.91 2dku s ARG 42 Cb -0.22 -1.23 0.01 0.00 -1.56 0.00 0.00 34.95 31.96 2dku s ARG 42 CO 0.27 -0.01 -0.17 0.21 -0.81 0.00 0.00 175.30 174.79 2dku s LYS 43 N 0.74 2.44 -1.02 5.12 2.20 0.16 -0.25 119.74 129.13 2dku s LYS 43 Ca -0.13 -0.65 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 2dku s LYS 43 Cb -0.15 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 2dku s LYS 43 CO 0.03 -0.01 0.71 0.41 -0.36 0.00 0.00 175.35 176.13 2dku n GLY 44 N 4.05 -1.08 4.21 5.54 0.00 -1.17 -1.06 105.19 115.68 2dku n GLY 44 Ca -0.20 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.62 -1.74 -3.81 0.99 4.32 -1.26 -4.94 117.00 106.94 2dku n LEU 45 Ca -0.14 -1.01 -0.13 0.00 -0.02 0.00 0.00 56.01 54.72 2dku n LEU 45 Cb 0.60 -2.10 -0.13 0.00 -1.62 0.00 0.00 43.42 40.17 2dku n LEU 45 CO 0.66 0.30 -0.22 -0.22 -1.22 0.00 0.00 177.39 176.69 2dku s LEU 46 N -7.26 1.31 0.13 2.23 2.96 -0.22 -5.14 118.68 112.69 2dku s LEU 46 Ca 0.72 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 2dku s LEU 46 Cb -0.39 0.44 -0.07 0.00 0.50 0.00 0.00 46.19 46.67 2dku s LEU 46 CO 0.93 -0.07 1.10 -0.70 -1.32 0.00 0.00 176.35 176.29 2dku s GLU 47 N 0.33 4.56 0.51 1.98 2.12 -1.26 0.37 118.70 127.31 2dku s GLU 47 Ca -0.02 1.69 0.08 0.00 0.36 0.00 0.00 54.97 57.08 2dku s GLU 47 Cb -0.03 -3.31 0.04 0.00 0.26 0.00 0.00 34.13 31.08 2dku s GLU 47 CO -0.01 -0.00 0.58 -0.51 -0.54 0.00 0.00 175.26 174.77 2dku s LEU 48 N 0.10 3.15 0.31 2.70 1.43 0.43 -4.87 118.68 121.94 2dku s LEU 48 Ca 0.52 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2dku s LEU 48 Cb -0.28 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2dku s LEU 48 CO 0.33 -1.05 0.63 -0.13 0.23 0.00 0.00 176.35 176.36 2dku s ARG 49 N -4.41 1.88 -0.68 1.70 1.81 -1.26 -4.59 118.95 113.39 2dku s ARG 49 Ca 0.51 -1.33 -0.27 0.00 -1.72 0.00 0.00 55.73 52.92 2dku s ARG 49 Cb -0.05 0.55 0.02 0.00 -0.45 0.00 0.00 34.95 35.02 2dku s ARG 49 CO 0.31 -0.84 1.32 0.00 -0.68 0.00 0.00 175.30 175.42 2dku s ALA 50 N -3.31 2.76 0.29 2.13 0.00 -1.23 -4.33 121.76 118.06 2dku s ALA 50 Ca 0.19 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2dku s ALA 50 Cb -0.03 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.87 2dku s ALA 50 CO 0.11 -3.18 0.40 -1.12 0.00 0.00 0.00 175.76 171.97 2dku s SER 51 N 4.00 0.52 0.50 0.00 0.01 0.88 -4.96 113.70 114.65 2dku s SER 51 Ca 0.41 -1.32 0.37 0.00 1.31 0.00 0.00 55.95 56.71 2dku s SER 51 Cb -0.09 0.58 1.52 0.00 0.21 0.00 0.00 66.02 68.24 2dku s SER 51 CO 0.18 -1.15 1.68 1.23 0.41 0.00 0.00 173.24 175.59 2dku h GLY 52 N 2.25 0.54 0.00 3.44 0.00 -1.99 -2.65 103.07 104.65 2dku h GLY 52 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2dku h GLY 52 CO 0.40 -0.14 0.00 1.17 0.00 0.00 0.00 176.54 177.98 2dku n LYS 53 N -4.32 0.00 -3.33 4.80 3.00 -1.26 -4.71 118.16 112.35 2dku n LYS 53 Ca 0.35 0.43 -0.45 0.00 -0.00 0.00 0.00 58.31 58.64 2dku n LYS 53 Cb 1.49 -0.93 -0.07 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.93 3.20 -0.58 5.64 3.76 -1.00 -3.51 115.29 121.87 2dku s HIS 54 Ca 0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 2dku s HIS 54 Cb 0.00 -3.36 0.15 0.00 1.11 0.00 0.00 32.58 30.48 2dku s HIS 54 CO 0.00 -0.89 0.36 -1.14 -0.85 0.00 0.00 174.74 172.22 2dku s GLN 55 N 1.83 2.31 1.15 1.40 2.00 -0.89 -0.08 119.66 127.38 2dku s GLN 55 Ca 0.06 -2.61 -0.17 0.00 -2.00 0.00 0.00 55.36 50.63 2dku s GLN 55 Cb -0.24 -3.54 0.26 0.00 0.80 0.00 0.00 33.01 30.29 2dku s GLN 55 CO 0.07 -1.15 1.10 -1.25 -0.50 0.00 0.00 175.29 173.57 2dku s PRO 56 N -0.23 -0.80 0.36 1.67 0.04 -1.26 -3.03 135.00 131.74 2dku s PRO 56 Ca 0.17 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.24 2dku s PRO 56 Cb -0.23 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2dku s PRO 56 CO -0.02 -3.46 0.58 0.43 0.04 0.00 0.00 177.00 174.57 2dku n SER 57 N -4.61 -1.65 -3.72 6.66 7.64 -0.78 -4.93 113.62 112.23 2dku n SER 57 Ca 0.11 -2.75 -0.14 0.00 1.01 0.00 0.00 58.87 57.11 2dku n SER 57 Cb 0.59 2.92 -0.14 0.00 -1.01 0.00 0.00 64.21 66.57 2dku n SER 57 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dku s GLN 58 N -2.54 0.13 0.29 1.43 2.00 -1.26 -4.21 119.66 115.50 2dku s GLN 58 Ca 0.24 0.50 0.01 0.00 -2.00 0.00 0.00 55.36 54.10 2dku s GLN 58 Cb -0.02 -0.16 -0.02 0.00 0.80 0.00 0.00 33.01 33.61 2dku s GLN 58 CO 0.17 -0.20 0.31 -1.21 -0.50 0.00 0.00 175.29 173.86 2dku s GLU 59 N 1.50 1.63 -0.83 1.67 0.41 0.21 -5.02 118.70 118.26 2dku s GLU 59 Ca -0.06 -1.78 -0.30 0.00 -0.41 0.00 0.00 54.97 52.42 2dku s GLU 59 Cb -0.11 0.35 -0.18 0.00 -1.78 0.00 0.00 34.13 32.41 2dku s GLU 59 CO -0.07 -0.61 2.59 0.41 -0.49 0.00 0.00 175.26 177.09 2dku n GLY 60 N -0.49 -0.28 2.43 -1.39 0.00 -1.26 -0.86 105.19 103.35 2dku n GLY 60 Ca 0.03 1.02 -0.04 0.00 0.00 0.00 0.00 46.02 47.04 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 11.77 -0.35 -3.82 0.99 4.77 -1.26 -4.88 117.00 124.22 2dku n LEU 61 Ca 0.58 0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 56.77 2dku n LEU 61 Cb 0.16 -1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 39.76 2dku n LEU 61 CO 0.87 -0.05 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.62 2dku s THR 62 N -2.15 0.26 0.12 -5.08 2.01 -0.04 -2.17 115.64 108.59 2dku s THR 62 Ca 0.00 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.13 2dku s THR 62 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 2dku s THR 62 CO 0.00 0.17 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.18 2dku s LEU 63 N 1.13 2.37 0.08 4.42 1.43 -0.91 -0.62 118.68 126.59 2dku s LEU 63 Ca -0.08 -0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 52.01 2dku s LEU 63 Cb -0.14 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.44 2dku s LEU 63 CO -0.02 -0.06 0.57 0.00 0.23 0.00 0.00 176.35 177.08 2dku s ARG 64 N -2.42 1.14 -0.16 1.70 1.70 -1.26 -0.63 118.95 119.01 2dku s ARG 64 Ca 0.09 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.07 2dku s ARG 64 Cb -0.07 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 34.88 2dku s ARG 64 CO 0.04 -0.44 0.01 -1.17 -1.08 0.00 0.00 175.30 172.66 2dku s LEU 65 N -2.17 1.18 0.02 -1.89 2.96 -0.95 -1.86 118.68 115.98 2dku s LEU 65 Ca -0.03 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 52.94 2dku s LEU 65 Cb -0.00 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 2dku s LEU 65 CO -0.04 -0.26 0.92 -0.89 -1.32 0.00 0.00 176.35 174.76 2dku s THR 66 N 1.83 4.81 -0.34 3.68 2.01 -1.17 -1.93 115.64 124.53 2dku s THR 66 Ca 0.00 1.94 0.00 0.00 0.31 0.00 0.00 61.69 63.95 2dku s THR 66 Cb -0.16 -4.27 0.11 0.00 0.01 0.00 0.00 72.50 68.19 2dku s THR 66 CO -0.07 0.22 0.12 -0.63 -0.69 0.00 0.00 174.62 173.57 2dku s ILE 67 N 0.68 1.18 0.55 1.82 1.01 0.13 -2.10 121.20 124.47 2dku s ILE 67 Ca 0.48 -1.76 0.01 0.00 0.00 0.00 0.00 60.65 59.38 2dku s ILE 67 Cb -0.21 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.42 2dku s ILE 67 CO 0.27 -0.71 0.78 -0.55 0.00 0.00 0.00 174.94 174.73 2dku s SER 68 N 1.27 5.29 -1.17 3.58 0.15 -1.23 -1.48 113.70 120.10 2dku s SER 68 Ca 0.12 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.74 2dku s SER 68 Cb -0.19 -0.94 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2dku s SER 68 CO -0.18 -1.14 1.02 0.00 1.20 0.00 0.00 173.24 174.14 2dku n ALA 69 N -2.36 -1.25 -0.64 5.45 0.00 -1.09 -4.90 120.51 115.72 2dku n ALA 69 Ca 0.07 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 2dku n ALA 69 Cb 0.60 -4.51 0.19 0.00 0.00 0.00 0.00 19.45 15.72 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 -4.36 -1.97 -3.53 0.00 4.77 -1.25 -4.70 117.00 105.95 2dku n LEU 70 Ca -0.03 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 2dku n LEU 70 Cb 0.57 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 2dku n LEU 70 CO 0.57 -3.16 0.60 -1.83 -1.33 0.00 0.00 177.39 172.23 2dku s GLU 71 N -3.66 0.86 0.47 3.23 -1.05 -1.26 -1.96 118.70 115.33 2dku s GLU 71 Ca 0.59 0.10 0.35 0.00 -0.15 0.00 0.00 54.97 55.86 2dku s GLU 71 Cb -0.15 0.40 1.50 0.00 -0.44 0.00 0.00 34.13 35.44 2dku s GLU 71 CO 0.66 -0.29 1.63 0.87 0.95 0.00 0.00 175.26 179.08 2dku h LYS 72 N 2.64 0.06 -0.03 -4.83 1.79 -1.90 0.51 116.57 114.81 2dku h LYS 72 Ca -0.23 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.21 2dku h LYS 72 Cb 1.17 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2dku h LYS 72 CO 0.35 0.04 -0.08 0.00 -1.08 0.00 0.00 179.45 178.68 2dku h ALA 73 N 1.45 0.06 -0.96 3.86 0.00 -1.95 -3.22 119.26 118.49 2dku h ALA 73 Ca 0.82 -0.33 0.35 0.00 0.00 0.00 0.00 54.91 55.76 2dku h ALA 73 Cb 2.80 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 20.41 2dku h ALA 73 CO -0.29 -0.09 0.34 -0.25 0.00 0.00 0.00 179.25 178.96 2dku n ASP 74 N -4.70 0.18 -4.50 0.00 9.92 0.18 -4.30 116.55 113.32 2dku n ASP 74 Ca -0.08 1.61 -0.41 0.00 -0.53 0.00 0.00 54.79 55.38 2dku n ASP 74 Cb 0.34 -0.71 -0.11 0.00 -0.64 0.00 0.00 41.12 39.99 2dku n ASP 74 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dku n SER 75 N -5.27 0.92 -2.03 -2.24 3.41 -1.16 -4.79 113.62 102.46 2dku n SER 75 Ca 0.32 0.03 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 2dku n SER 75 Cb 1.06 -1.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dku n ASP 76 N 11.75 -1.27 -4.60 4.04 2.03 -1.25 -4.93 116.55 122.32 2dku n ASP 76 Ca 0.57 -1.87 -0.39 0.00 0.52 0.00 0.00 54.79 53.62 2dku n ASP 76 Cb 0.17 2.12 -0.09 0.00 -0.72 0.00 0.00 41.12 42.60 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dku s THR 77 N -2.48 5.20 0.17 5.18 2.01 -1.26 -1.99 115.64 122.47 2dku s THR 77 Ca 0.09 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.63 2dku s THR 77 Cb -0.03 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2dku s THR 77 CO 0.06 0.17 0.28 -0.31 -0.69 0.00 0.00 174.62 174.14 2dku s TYR 78 N 2.00 3.44 -0.10 4.92 1.51 -0.79 -3.06 117.35 125.28 2dku s TYR 78 Ca 0.14 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 2dku s TYR 78 Cb -0.16 -1.62 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 2dku s TYR 78 CO 0.10 0.50 0.03 0.99 -1.11 0.00 0.00 175.55 176.06 2dku s THR 79 N -1.80 0.25 -0.57 -0.71 2.01 0.65 -2.44 115.64 113.03 2dku s THR 79 Ca 0.34 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.18 2dku s THR 79 Cb -0.10 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 71.94 2dku s THR 79 CO 0.28 0.10 0.75 0.00 -0.69 0.00 0.00 174.62 175.07 2dku s ASP 81 N 3.22 6.61 -0.01 0.00 -1.08 -1.08 -1.83 116.67 122.49 2dku s ASP 81 Ca 0.17 0.72 0.04 0.00 -0.52 0.00 0.00 52.55 52.96 2dku s ASP 81 Cb -0.20 -2.17 -0.06 0.00 -1.46 0.00 0.00 42.92 39.03 2dku s ASP 81 CO 0.10 0.33 0.09 2.30 0.52 0.00 0.00 175.17 178.51 2dku n ILE 82 N 2.07 0.00 0.00 4.11 -5.35 -0.86 -0.66 119.36 118.68 2dku n ILE 82 Ca -0.16 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2dku n ILE 82 Cb 0.53 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 2.27 3.66 0.02 3.28 0.00 -1.26 -4.54 105.19 108.62 2dku n GLY 83 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 2.74 -4.31 1.61 7.27 -1.26 -5.05 117.38 118.37 2dku n GLN 84 Ca 0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 57.00 56.88 2dku n GLN 84 Cb 0.00 -1.11 -0.10 0.00 2.41 0.00 0.00 30.24 31.44 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dku s ALA 85 N -2.14 1.84 0.04 1.69 0.00 -1.26 -4.99 121.76 116.94 2dku s ALA 85 Ca -0.02 -1.56 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 2dku s ALA 85 Cb 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2dku s ALA 85 CO 0.18 0.06 0.20 -0.65 0.00 0.00 0.00 175.76 175.55 2dku s GLN 86 N -3.45 0.70 0.54 0.00 1.11 -1.26 -2.02 119.66 115.27 2dku s GLN 86 Ca 0.19 -0.61 0.02 0.00 0.01 0.00 0.00 55.36 54.98 2dku s GLN 86 Cb -0.01 0.29 0.02 0.00 -1.01 0.00 0.00 33.01 32.30 2dku s GLN 86 CO 0.05 -0.20 0.17 0.45 0.01 0.00 0.00 175.29 175.77 2dku s SER 87 N -2.05 4.35 -0.13 5.90 0.15 -0.76 -4.92 113.70 116.23 2dku s SER 87 Ca -0.05 -1.53 -0.18 0.00 0.70 0.00 0.00 55.95 54.89 2dku s SER 87 Cb -0.01 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.94 2dku s SER 87 CO -0.04 -1.01 0.47 -0.13 1.20 0.00 0.00 173.24 173.73 2dku s ARG 88 N -4.07 0.64 -0.27 5.44 0.52 -1.26 -2.92 118.95 117.03 2dku s ARG 88 Ca 0.14 0.43 -0.21 0.00 -0.52 0.00 0.00 55.73 55.57 2dku s ARG 88 Cb -0.01 0.31 0.07 0.00 0.52 0.00 0.00 34.95 35.84 2dku s ARG 88 CO 0.09 -0.12 0.70 0.00 0.02 0.00 0.00 175.30 175.99 2dku s ALA 89 N -0.26 -1.80 0.09 2.13 0.00 -1.02 -4.50 121.76 116.39 2dku s ALA 89 Ca -0.04 2.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.94 2dku s ALA 89 Cb -0.03 -1.27 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 2dku s ALA 89 CO 0.03 -0.35 0.49 -0.65 0.00 0.00 0.00 175.76 175.28 2dku s GLN 90 N 0.87 3.96 0.02 0.00 -0.21 -1.26 -1.88 119.66 121.16 2dku s GLN 90 Ca -0.04 0.45 0.06 0.00 0.02 0.00 0.00 55.36 55.85 2dku s GLN 90 Cb -0.05 -3.06 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 2dku s GLN 90 CO -0.07 0.57 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.35 2dku s LEU 91 N -1.62 2.77 -0.22 2.90 2.96 -0.84 -2.37 118.68 122.26 2dku s LEU 91 Ca 0.32 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2dku s LEU 91 Cb -0.16 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 44.97 2dku s LEU 91 CO 0.18 0.27 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.17 2dku s LEU 92 N -1.34 2.57 -0.86 -0.68 2.96 -0.45 -3.75 118.68 117.14 2dku s LEU 92 Ca 0.15 -1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.84 2dku s LEU 92 Cb -0.11 -1.29 0.18 0.00 0.50 0.00 0.00 46.19 45.48 2dku s LEU 92 CO 0.05 -0.17 0.91 -0.69 -1.32 0.00 0.00 176.35 175.13 2dku s VAL 93 N 1.34 5.23 1.17 1.68 1.01 -1.24 -1.32 120.40 128.27 2dku s VAL 93 Ca -0.04 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 59.75 2dku s VAL 93 Cb -0.18 -4.59 0.28 0.00 0.00 0.00 0.00 36.38 31.90 2dku s VAL 93 CO -0.07 -1.22 1.03 -1.10 0.00 0.00 0.00 175.10 173.73 2dku s GLN 94 N 1.26 -0.93 -0.39 2.72 -1.52 0.16 -4.48 119.66 116.48 2dku s GLN 94 Ca 0.24 0.80 -0.15 0.00 -1.95 0.00 0.00 55.36 54.29 2dku s GLN 94 Cb -0.09 -1.55 0.01 0.00 -0.22 0.00 0.00 33.01 31.16 2dku s GLN 94 CO -0.09 -3.72 0.34 0.20 -0.25 0.00 0.00 175.29 171.77 2dku s GLY 95 N -2.57 1.95 0.09 3.09 0.00 -1.26 -0.30 107.32 108.32 2dku s GLY 95 Ca 0.68 -1.50 -0.35 0.00 0.00 0.00 0.00 44.72 43.56 2dku s GLY 95 CO 0.64 0.98 1.57 -0.09 0.00 0.00 0.00 173.10 176.21 2dku h ARG 96 N 8.60 -0.89 -3.07 2.90 2.43 -1.90 -3.45 114.38 119.00 2dku h ARG 96 Ca -0.28 0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 2dku h ARG 96 Cb 1.13 0.20 -0.25 0.00 -0.42 0.00 0.00 29.97 30.63 2dku h ARG 96 CO 0.73 -0.60 -0.39 0.50 -1.51 0.00 0.00 179.97 178.70 2dku s ARG 97 N -5.89 0.34 -0.23 0.20 6.06 -1.26 -5.11 118.95 113.06 2dku s ARG 97 Ca -0.18 0.36 -0.09 0.00 -2.50 0.00 0.00 55.73 53.33 2dku s ARG 97 Cb 0.05 0.16 -0.04 0.00 0.06 0.00 0.00 34.95 35.18 2dku s ARG 97 CO 0.61 -0.04 0.10 0.45 -2.50 0.00 0.00 175.30 173.92 2dku s SER 98 N 0.08 5.60 0.00 -2.12 0.15 -1.26 -4.97 113.70 111.18 2dku s SER 98 Ca -0.01 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2dku s SER 98 Cb -0.02 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2dku s SER 98 CO 0.01 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dku n GLY 99 N 4.42 0.32 3.56 9.45 0.00 -1.26 -4.84 105.19 116.84 2dku n GLY 99 Ca -0.16 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 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 -4.49 2.56 -0.25 1.61 0.04 -1.26 -4.92 135.00 128.30 2dku s PRO 100 Ca 0.00 -0.18 -0.36 0.00 0.04 0.00 0.00 61.00 60.50 2dku s PRO 100 Cb 0.00 -4.98 -0.12 0.00 0.04 0.00 0.00 34.50 29.43 2dku s PRO 100 CO 0.00 -3.30 1.98 0.43 0.04 0.00 0.00 177.00 176.14 2dku n SER 101 N 13.83 2.66 -4.27 6.66 7.64 -1.26 -4.90 113.62 133.98 2dku n SER 101 Ca 0.38 0.76 -0.33 0.00 1.01 0.00 0.00 58.87 60.68 2dku n SER 101 Cb 0.48 -1.27 0.14 0.00 -1.01 0.00 0.00 64.21 62.54 2dku n SER 101 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dku n SER 102 N 7.72 -2.58 0.00 6.43 3.41 -1.26 -5.26 113.62 122.08 2dku n SER 102 Ca 0.31 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2dku n SER 102 Cb 0.23 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 2dku n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49