#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 n SER 2 N 0.00 4.91 -4.75 1.61 7.64 -1.26 -5.04 113.62 116.74 2dk6 n SER 2 Ca 0.00 -3.74 -0.33 0.00 1.01 0.00 0.00 58.87 55.81 2dk6 n SER 2 Cb 0.00 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 2dk6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk6 s SER 3 N -3.56 5.49 0.00 6.43 0.15 -1.26 -4.93 113.70 116.01 2dk6 s SER 3 Ca 0.50 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dk6 s SER 3 Cb 0.41 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 2dk6 s SER 3 CO -0.01 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2dk6 n GLY 4 N 1.32 -0.41 3.56 9.45 0.00 -1.26 -5.06 105.19 112.79 2dk6 n GLY 4 Ca -0.14 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 2dk6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk6 s SER 5 N 0.00 4.81 0.17 1.61 0.15 -1.26 -4.83 113.70 114.35 2dk6 s SER 5 Ca 0.00 0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.49 2dk6 s SER 5 Cb 0.00 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 2dk6 s SER 5 CO 0.00 -2.89 1.04 -0.94 1.20 0.00 0.00 173.24 171.65 2dk6 s SER 6 N 9.34 -0.04 -0.14 5.45 1.04 -1.26 -5.16 113.70 122.92 2dk6 s SER 6 Ca 0.78 -0.58 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 2dk6 s SER 6 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 2dk6 s SER 6 CO 0.12 -0.93 0.10 -0.83 0.98 0.00 0.00 173.24 172.68 2dk6 s GLY 7 N -3.29 2.04 -0.27 7.32 0.00 -1.26 -5.08 107.32 106.78 2dk6 s GLY 7 Ca 0.19 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 2dk6 s GLY 7 CO 0.04 -0.22 0.56 -1.31 0.00 0.00 0.00 173.10 172.18 2dk6 s ASN 8 N -0.46 -0.88 -0.20 1.64 0.01 -1.26 -5.13 114.94 108.66 2dk6 s ASN 8 Ca 0.11 1.19 -0.29 0.00 -0.71 0.00 0.00 52.86 53.15 2dk6 s ASN 8 Cb -0.12 1.96 0.00 0.00 0.41 0.00 0.00 41.25 43.51 2dk6 s ASN 8 CO 0.02 -0.24 1.04 -1.83 -1.51 0.00 0.00 177.10 174.58 2dk6 s GLU 9 N 2.80 4.30 0.65 -0.60 4.04 -1.26 -5.04 118.70 123.59 2dk6 s GLU 9 Ca 0.02 1.38 -0.03 0.00 0.04 0.00 0.00 54.97 56.39 2dk6 s GLU 9 Cb -0.13 -3.62 0.07 0.00 0.02 0.00 0.00 34.13 30.47 2dk6 s GLU 9 CO -0.18 -0.56 0.92 0.14 -1.84 0.00 0.00 175.26 173.75 2dk6 s VAL 10 N 2.92 2.40 0.58 1.83 -7.23 -1.26 -5.08 120.40 114.56 2dk6 s VAL 10 Ca 0.46 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.99 2dk6 s VAL 10 Cb -0.16 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 2dk6 s VAL 10 CO 0.09 0.00 1.03 -0.62 -0.31 0.00 0.00 175.10 175.29 2dk6 s ASP 11 N -4.54 6.06 -0.28 4.85 -1.08 -1.26 -5.08 116.67 115.35 2dk6 s ASP 11 Ca 0.61 1.67 -0.23 0.00 -0.52 0.00 0.00 52.55 54.08 2dk6 s ASP 11 Cb -0.09 -2.51 0.09 0.00 -1.46 0.00 0.00 42.92 38.94 2dk6 s ASP 11 CO 0.42 -0.97 0.79 1.51 0.52 0.00 0.00 175.17 177.43 2dk6 s ASP 12 N -3.16 -0.72 -1.34 -0.34 1.47 -1.26 -4.94 116.67 106.39 2dk6 s ASP 12 Ca 0.60 1.32 -0.15 0.00 1.18 0.00 0.00 52.55 55.50 2dk6 s ASP 12 Cb -0.13 1.33 0.15 0.00 -0.34 0.00 0.00 42.92 43.93 2dk6 s ASP 12 CO 0.39 -0.22 0.38 0.23 0.68 0.00 0.00 175.17 176.63 2dk6 n MET 13 N 2.98 -0.81 -3.90 2.11 2.81 -1.26 -4.86 117.12 114.18 2dk6 n MET 13 Ca -0.15 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.73 2dk6 n MET 13 Cb 0.56 -3.31 -0.11 0.00 -0.71 0.00 0.00 33.22 29.65 2dk6 n MET 13 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2dk6 s ASP 14 N -2.80 0.08 -0.46 7.83 2.15 -1.26 -5.09 116.67 117.12 2dk6 s ASP 14 Ca 0.53 -0.23 -0.43 0.00 0.43 0.00 0.00 52.55 52.85 2dk6 s ASP 14 Cb -0.31 0.16 -0.18 0.00 -0.30 0.00 0.00 42.92 42.30 2dk6 s ASP 14 CO 0.74 -0.27 2.01 0.35 -0.17 0.00 0.00 175.17 177.82 2dk6 n THR 15 N 1.84 0.06 -3.64 1.71 -2.24 -1.26 -4.89 114.28 105.85 2dk6 n THR 15 Ca -0.21 -0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 2dk6 n THR 15 Cb 0.56 -0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 2dk6 n THR 15 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dk6 s SER 16 N 5.40 -0.56 -0.76 3.42 0.15 -1.26 -5.06 113.70 115.03 2dk6 s SER 16 Ca 1.13 0.92 -0.25 0.00 0.70 0.00 0.00 55.95 58.45 2dk6 s SER 16 Cb -1.36 1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2dk6 s SER 16 CO 0.66 -0.15 1.93 1.51 1.20 0.00 0.00 173.24 178.40 2dk6 s ASP 17 N 1.16 5.16 -0.51 5.45 1.47 -1.26 -4.93 116.67 123.21 2dk6 s ASP 17 Ca -0.07 -0.18 -0.24 0.00 1.18 0.00 0.00 52.55 53.25 2dk6 s ASP 17 Cb -0.04 -2.54 0.04 0.00 -0.34 0.00 0.00 42.92 40.03 2dk6 s ASP 17 CO -0.14 -2.61 0.87 -0.89 0.68 0.00 0.00 175.17 173.08 2dk6 s THR 18 N 9.79 4.51 -0.20 2.11 2.01 -1.26 -5.01 115.64 127.59 2dk6 s THR 18 Ca 0.70 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 2dk6 s THR 18 Cb -0.10 -4.45 -0.01 0.00 0.01 0.00 0.00 72.50 67.96 2dk6 s THR 18 CO 0.09 -0.94 1.24 -1.10 -0.69 0.00 0.00 174.62 173.22 2dk6 s GLN 19 N 3.64 4.19 -0.14 4.92 -0.21 -1.26 -5.01 119.66 125.80 2dk6 s GLN 19 Ca 0.30 1.56 -0.20 0.00 0.02 0.00 0.00 55.36 57.04 2dk6 s GLN 19 Cb -0.13 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 2dk6 s GLN 19 CO 0.21 -0.76 0.56 -1.58 -2.12 0.00 0.00 175.29 171.60 2dk6 s TRP 20 N 3.59 3.48 0.32 0.91 0.52 -1.26 -3.49 118.94 123.00 2dk6 s TRP 20 Ca 0.53 0.95 0.09 0.00 0.02 0.00 0.00 56.10 57.70 2dk6 s TRP 20 Cb -0.20 -2.67 -0.05 0.00 -1.15 0.00 0.00 33.47 29.40 2dk6 s TRP 20 CO 0.15 0.04 -0.01 0.20 0.02 0.00 0.00 176.95 177.35 2dk6 s GLY 21 N 0.86 1.99 0.24 0.98 0.00 -0.50 -4.79 107.32 106.09 2dk6 s GLY 21 Ca 0.29 -1.90 0.09 0.00 0.00 0.00 0.00 44.72 43.19 2dk6 s GLY 21 CO 0.12 -1.88 -0.01 -0.98 0.00 0.00 0.00 173.10 170.35 2dk6 s TRP 22 N -2.49 2.72 0.14 1.90 0.52 -1.26 -1.16 118.94 119.32 2dk6 s TRP 22 Ca 0.34 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.15 2dk6 s TRP 22 Cb -0.02 -1.24 0.00 0.00 -1.15 0.00 0.00 33.47 31.07 2dk6 s TRP 22 CO 0.19 0.59 0.29 -0.06 0.02 0.00 0.00 176.95 177.98 2dk6 s PHE 23 N -2.15 0.23 -0.07 -1.98 0.40 -0.68 -2.57 117.98 111.17 2dk6 s PHE 23 Ca 0.30 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 2dk6 s PHE 23 Cb -0.07 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.50 2dk6 s PHE 23 CO 0.19 -0.68 0.16 1.52 0.70 0.00 0.00 175.22 177.11 2dk6 s TYR 24 N -3.91 -0.19 0.92 0.36 1.13 -0.57 -1.99 117.35 113.10 2dk6 s TYR 24 Ca 0.12 0.50 -0.10 0.00 -1.41 0.00 0.00 57.07 56.17 2dk6 s TYR 24 Cb 0.03 -0.01 0.15 0.00 -1.10 0.00 0.00 41.96 41.03 2dk6 s TYR 24 CO -0.05 -0.14 1.13 -0.11 -2.51 0.00 0.00 175.55 173.87 2dk6 n LEU 25 N 3.74 3.20 0.00 -3.49 7.94 -0.24 -1.12 117.00 127.03 2dk6 n LEU 25 Ca -0.21 0.41 -0.26 0.00 -1.11 0.00 0.00 56.01 54.84 2dk6 n LEU 25 Cb 0.55 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 2dk6 n LEU 25 CO 0.19 -2.21 -0.18 0.00 -1.11 0.00 0.00 177.39 174.07 2dk6 n ALA 26 N -4.25 0.49 0.17 1.96 0.00 -0.15 -4.56 120.51 114.17 2dk6 n ALA 26 Ca 0.12 -2.03 0.01 0.00 0.00 0.00 0.00 53.44 51.54 2dk6 n ALA 26 Cb 0.52 1.27 0.28 0.00 0.00 0.00 0.00 19.45 21.52 2dk6 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dk6 h GLU 27 N 0.00 0.00 -0.92 0.00 4.57 -1.97 -2.72 114.58 113.54 2dk6 h GLU 27 Ca -0.34 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.67 2dk6 h GLU 27 Cb 1.17 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.66 2dk6 h GLU 27 CO 0.54 0.48 0.22 0.00 -1.18 0.00 0.00 179.01 179.07 2dk6 n GLY 29 N -0.11 -0.51 3.05 0.00 0.00 -1.03 -4.97 105.19 101.62 2dk6 n GLY 29 Ca 0.26 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 2dk6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 30 N -6.20 2.09 -0.48 1.61 1.02 -1.26 -4.87 119.74 111.64 2dk6 s LYS 30 Ca 0.50 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.71 2dk6 s LYS 30 Cb -0.24 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 2dk6 s LYS 30 CO 0.62 -0.02 0.97 -1.58 -0.92 0.00 0.00 175.35 174.42 2dk6 s TRP 31 N 0.85 2.87 0.50 3.18 0.52 -1.26 -0.97 118.94 124.63 2dk6 s TRP 31 Ca -0.10 0.36 -0.05 0.00 0.02 0.00 0.00 56.10 56.33 2dk6 s TRP 31 Cb -0.15 -4.08 -0.02 0.00 -1.15 0.00 0.00 33.47 28.07 2dk6 s TRP 31 CO 0.01 -1.19 0.80 -1.01 0.02 0.00 0.00 176.95 175.59 2dk6 s HIS 32 N 3.94 3.48 0.10 -1.98 3.76 -0.27 -4.78 115.29 119.54 2dk6 s HIS 32 Ca 0.38 0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 55.84 2dk6 s HIS 32 Cb -0.10 -2.40 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 2dk6 s HIS 32 CO 0.26 -0.40 0.59 1.41 -0.85 0.00 0.00 174.74 175.75 2dk6 s MET 33 N -4.79 4.20 0.38 1.40 1.75 -1.26 -1.51 119.30 119.46 2dk6 s MET 33 Ca 0.49 0.74 -0.27 0.00 -1.25 0.00 0.00 55.69 55.40 2dk6 s MET 33 Cb -0.10 -3.16 -0.09 0.00 2.84 0.00 0.00 34.83 34.31 2dk6 s MET 33 CO 0.45 0.59 1.26 -0.06 -0.65 0.00 0.00 175.02 176.61 2dk6 s PHE 34 N -1.20 2.98 0.12 4.11 0.08 -1.06 -4.94 117.98 118.07 2dk6 s PHE 34 Ca 0.32 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.86 2dk6 s PHE 34 Cb -0.19 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2dk6 s PHE 34 CO 0.20 -1.76 -0.09 1.14 -0.10 0.00 0.00 175.22 174.61 2dk6 s GLN 35 N -2.08 0.92 0.81 0.44 -2.07 -1.25 -4.15 119.66 112.28 2dk6 s GLN 35 Ca 0.54 -1.33 -0.11 0.00 -1.82 0.00 0.00 55.36 52.64 2dk6 s GLN 35 Cb -0.37 -0.44 0.08 0.00 -1.09 0.00 0.00 33.01 31.19 2dk6 s GLN 35 CO 0.47 0.04 1.09 -1.25 -1.32 0.00 0.00 175.29 174.33 2dk6 s PRO 36 N -3.54 1.96 -0.78 9.60 0.04 -1.24 -3.01 135.00 138.02 2dk6 s PRO 36 Ca 0.12 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 2dk6 s PRO 36 Cb 0.02 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.50 2dk6 s PRO 36 CO -0.02 -1.83 2.26 -0.40 0.04 0.00 0.00 177.00 177.06 2dk6 n ASP 37 N -3.63 0.35 -3.77 6.66 5.68 0.36 -4.30 116.55 117.90 2dk6 n ASP 37 Ca 0.08 0.26 -0.13 0.00 -0.50 0.00 0.00 54.79 54.50 2dk6 n ASP 37 Cb 0.54 -0.81 -0.09 0.00 -1.14 0.00 0.00 41.12 39.62 2dk6 n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2dk6 s THR 38 N 7.32 0.06 0.15 2.12 2.01 -1.26 -4.88 115.64 121.15 2dk6 s THR 38 Ca 1.17 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 62.44 2dk6 s THR 38 Cb -1.16 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 70.76 2dk6 s THR 38 CO 0.47 -0.25 1.59 -1.13 -0.69 0.00 0.00 174.62 174.60 2dk6 h ASN 39 N 3.98 -1.25 0.00 3.53 -0.73 -1.97 2.30 115.58 121.44 2dk6 h ASN 39 Ca -0.30 0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.07 2dk6 h ASN 39 Cb 1.18 0.55 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2dk6 h ASN 39 CO 0.40 -0.36 0.00 -1.54 -0.37 0.00 0.00 177.43 175.55 2dk6 n SER 40 N -5.42 0.00 -2.77 1.15 3.41 -1.26 -3.17 113.62 105.57 2dk6 n SER 40 Ca -0.01 0.76 -0.27 0.00 -0.26 0.00 0.00 58.87 59.09 2dk6 n SER 40 Cb 0.35 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk6 n GLN 41 N -2.14 3.34 -1.03 4.33 6.02 -1.13 -5.04 117.38 121.72 2dk6 n GLN 41 Ca 0.00 -4.72 -0.27 0.00 -0.01 0.00 0.00 57.00 52.00 2dk6 n GLN 41 Cb 0.00 -2.25 -0.11 0.00 1.02 0.00 0.00 30.24 28.91 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dk6 s SER 43 N 5.60 -0.08 0.67 0.00 1.04 -1.26 -4.83 113.70 114.84 2dk6 s SER 43 Ca 0.93 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 2dk6 s SER 43 Cb -0.84 0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2dk6 s SER 43 CO 0.34 -0.30 1.09 0.68 0.98 0.00 0.00 173.24 176.03 2dk6 s VAL 44 N -2.45 3.49 0.48 5.02 -7.23 -1.24 -0.48 120.40 117.99 2dk6 s VAL 44 Ca 0.13 0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 60.80 2dk6 s VAL 44 Cb 0.03 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.74 2dk6 s VAL 44 CO -0.04 -0.49 0.89 -0.44 -0.31 0.00 0.00 175.10 174.71 2dk6 s SER 45 N -2.93 6.50 0.25 4.85 0.01 -1.16 -3.77 113.70 117.44 2dk6 s SER 45 Ca 0.64 1.33 -0.11 0.00 1.31 0.00 0.00 55.95 59.12 2dk6 s SER 45 Cb -0.18 -2.41 0.37 0.00 0.21 0.00 0.00 66.02 64.01 2dk6 s SER 45 CO 0.45 -0.55 1.50 -1.54 0.41 0.00 0.00 173.24 173.50 2dk6 n SER 46 N -1.69 -0.44 -0.27 2.44 3.41 -1.26 0.17 113.62 115.98 2dk6 n SER 46 Ca 0.04 1.67 -0.01 0.00 -0.26 0.00 0.00 58.87 60.31 2dk6 n SER 46 Cb 0.54 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2dk6 n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dk6 h GLU 47 N 0.00 -0.06 0.00 4.33 4.81 -1.93 0.21 114.58 121.94 2dk6 h GLU 47 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2dk6 h GLU 47 Cb 0.66 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2dk6 h GLU 47 CO -0.98 -0.04 0.00 -0.25 -0.73 0.00 0.00 179.01 177.01 2dk6 n ASP 48 N -5.48 0.00 -0.34 1.04 9.92 0.13 -0.16 116.55 121.66 2dk6 n ASP 48 Ca 0.08 0.96 0.15 0.00 -0.53 0.00 0.00 54.79 55.45 2dk6 n ASP 48 Cb 0.39 -0.46 0.30 0.00 -0.64 0.00 0.00 41.12 40.71 2dk6 n ASP 48 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2dk6 n ILE 49 N -1.96 -0.41 0.06 0.53 -0.00 -1.02 0.18 119.36 116.73 2dk6 n ILE 49 Ca 0.00 2.17 -0.13 0.00 -0.00 0.00 0.00 62.75 64.79 2dk6 n ILE 49 Cb 0.00 -3.18 -0.08 0.00 -0.00 0.00 0.00 39.64 36.38 2dk6 n ILE 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 2dk6 h GLU 50 N 0.00 -0.09 -0.70 0.38 4.81 -0.47 -0.78 114.58 117.72 2dk6 h GLU 50 Ca 0.60 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 60.04 2dk6 h GLU 50 Cb 1.25 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2dk6 h GLU 50 CO -0.93 0.09 0.52 -0.22 -0.73 0.00 0.00 179.01 177.74 2dk6 h LYS 51 N -0.26 0.00 0.02 1.92 3.64 0.32 0.25 116.57 122.45 2dk6 h LYS 51 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 2dk6 h LYS 51 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2dk6 h LYS 51 CO 0.02 0.00 -1.30 1.03 -2.27 0.00 0.00 179.45 176.93 2dk6 h SER 52 N 0.00 0.06 -0.15 4.20 0.87 -0.71 -3.34 113.55 114.47 2dk6 h SER 52 Ca 0.33 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.63 2dk6 h SER 52 Cb 1.36 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2dk6 h SER 52 CO -0.00 1.06 -0.61 0.15 -0.53 0.00 0.00 176.83 176.89 2dk6 h PHE 53 N 0.01 0.98 -0.18 2.24 3.04 0.88 -1.28 116.94 122.64 2dk6 h PHE 53 Ca -0.13 -0.37 0.05 0.00 3.98 0.00 0.00 57.97 61.50 2dk6 h PHE 53 Cb 1.88 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 40.15 2dk6 h PHE 53 CO 0.01 1.18 -0.33 0.87 -2.02 0.00 0.00 178.31 178.02 2dk6 h LYS 54 N 0.57 -0.37 -0.20 1.11 1.57 -1.09 0.52 116.57 118.68 2dk6 h LYS 54 Ca -0.01 0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 2dk6 h LYS 54 Cb 1.21 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.61 2dk6 h LYS 54 CO 0.13 -0.24 -0.69 0.00 -0.57 0.00 0.00 179.45 178.07 2dk6 h THR 55 N -0.38 1.28 -3.07 -0.16 1.03 -1.69 -3.37 112.91 106.56 2dk6 h THR 55 Ca 0.11 -1.89 -0.65 0.00 -0.01 0.00 0.00 66.41 63.97 2dk6 h THR 55 Cb 0.55 1.85 -0.39 0.00 -1.07 0.00 0.00 68.15 69.09 2dk6 h THR 55 CO -0.39 0.60 -0.38 0.59 -0.01 0.00 0.00 175.52 175.94 2dk6 n ASN 56 N -3.96 3.59 0.17 0.00 4.13 -0.48 -4.89 115.26 113.82 2dk6 n ASN 56 Ca -0.06 -3.22 0.02 0.00 1.68 0.00 0.00 54.58 53.00 2dk6 n ASN 56 Cb 0.70 -0.86 0.30 0.00 -1.54 0.00 0.00 39.78 38.38 2dk6 n ASN 56 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2dk6 h PRO 57 N 5.46 0.00 -0.64 3.52 0.13 -1.08 -3.18 132.00 136.21 2dk6 h PRO 57 Ca 0.16 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.82 2dk6 h PRO 57 Cb 0.76 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.52 2dk6 h PRO 57 CO 0.79 0.45 -0.76 0.00 -0.23 0.00 0.00 178.00 178.26 2dk6 n GLY 59 N -0.77 3.41 3.60 0.00 0.00 -1.20 -4.42 105.19 105.81 2dk6 n GLY 59 Ca 0.40 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2dk6 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 60 N 1.00 -0.40 -0.25 1.61 1.04 -1.26 -1.75 113.70 113.69 2dk6 s SER 60 Ca 0.00 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 2dk6 s SER 60 Cb 0.00 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2dk6 s SER 60 CO 0.00 -0.25 0.05 -0.51 0.98 0.00 0.00 173.24 173.50 2dk6 s ILE 61 N -0.50 4.00 -0.19 -1.02 2.07 -0.53 -4.96 121.20 120.06 2dk6 s ILE 61 Ca 0.01 -0.38 -0.10 0.00 -1.41 0.00 0.00 60.65 58.76 2dk6 s ILE 61 Cb -0.03 -2.91 -0.05 0.00 0.13 0.00 0.00 42.46 39.61 2dk6 s ILE 61 CO -0.02 0.29 0.15 -0.55 -1.91 0.00 0.00 174.94 172.91 2dk6 s SER 62 N 1.55 6.26 -0.16 4.50 0.15 -1.26 -2.28 113.70 122.46 2dk6 s SER 62 Ca 0.05 0.29 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 2dk6 s SER 62 Cb -0.15 -2.10 0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2dk6 s SER 62 CO 0.02 0.19 0.51 0.72 1.20 0.00 0.00 173.24 175.88 2dk6 s PHE 63 N 0.24 -0.54 -0.21 3.44 -0.12 -1.15 -5.06 117.98 114.58 2dk6 s PHE 63 Ca 0.10 1.25 0.01 0.00 -0.05 0.00 0.00 56.93 58.23 2dk6 s PHE 63 Cb -0.11 0.20 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2dk6 s PHE 63 CO -0.01 -0.31 -0.14 0.95 -0.05 0.00 0.00 175.22 175.66 2dk6 s THR 64 N -0.01 2.35 0.65 -4.49 -4.23 -1.26 -1.94 115.64 106.70 2dk6 s THR 64 Ca -0.02 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2dk6 s THR 64 Cb -0.03 -2.13 0.13 0.00 1.34 0.00 0.00 72.50 71.81 2dk6 s THR 64 CO 0.02 0.34 0.88 0.35 -0.54 0.00 0.00 174.62 175.67 2dk6 n THR 65 N 4.60 0.00 -1.70 3.99 -2.24 0.49 -4.93 114.28 114.50 2dk6 n THR 65 Ca -0.18 -1.22 -0.55 0.00 -2.27 0.00 0.00 64.05 59.83 2dk6 n THR 65 Cb 0.48 -1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 67.56 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk6 n SER 66 N -3.07 2.70 -3.87 3.42 2.88 -1.26 -1.10 113.62 113.32 2dk6 n SER 66 Ca 0.14 1.03 -0.31 0.00 -1.33 0.00 0.00 58.87 58.39 2dk6 n SER 66 Cb 0.49 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.68 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dk6 n LYS 67 N 5.87 -1.14 -3.63 -1.46 2.85 -1.26 -4.85 118.16 114.53 2dk6 n LYS 67 Ca 0.26 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.48 2dk6 n LYS 67 Cb 0.18 -4.22 -0.07 0.00 -0.65 0.00 0.00 35.03 30.27 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dk6 s PHE 68 N -2.79 -0.73 0.10 5.58 0.08 -0.26 -5.09 117.98 114.87 2dk6 s PHE 68 Ca 0.61 1.73 0.08 0.00 0.12 0.00 0.00 56.93 59.46 2dk6 s PHE 68 Cb -0.36 0.27 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 2dk6 s PHE 68 CO 0.75 -0.39 -0.20 -1.12 -0.10 0.00 0.00 175.22 174.16 2dk6 s SER 69 N 0.15 2.40 0.22 1.36 0.01 -1.26 0.18 113.70 116.76 2dk6 s SER 69 Ca -0.01 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.44 2dk6 s SER 69 Cb -0.04 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dk6 s SER 69 CO 0.02 0.04 0.45 -0.31 0.41 0.00 0.00 173.24 173.85 2dk6 s TYR 70 N -1.17 0.23 -0.28 2.43 2.02 -0.82 -2.02 117.35 117.75 2dk6 s TYR 70 Ca 0.05 -0.59 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 2dk6 s TYR 70 Cb -0.10 0.20 0.17 0.00 -0.40 0.00 0.00 41.96 41.83 2dk6 s TYR 70 CO 0.04 -0.92 0.47 0.21 -1.57 0.00 0.00 175.55 173.78 2dk6 s LYS 71 N -3.97 0.45 -0.48 -0.62 2.20 -0.72 -2.95 119.74 113.66 2dk6 s LYS 71 Ca 0.18 0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 56.07 2dk6 s LYS 71 Cb -0.00 -0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.28 2dk6 s LYS 71 CO 0.04 -0.84 0.78 0.42 -0.36 0.00 0.00 175.35 175.39 2dk6 s ILE 72 N 2.66 4.65 -0.28 5.43 1.01 -0.97 0.33 121.20 134.03 2dk6 s ILE 72 Ca 0.13 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 2dk6 s ILE 72 Cb -0.13 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 37.98 2dk6 s ILE 72 CO -0.23 -0.82 0.76 -1.81 0.00 0.00 0.00 174.94 172.84 2dk6 s ASP 73 N 2.39 6.68 -0.06 3.58 1.11 -0.40 -1.46 116.67 128.50 2dk6 s ASP 73 Ca 0.26 0.74 -0.22 0.00 0.18 0.00 0.00 52.55 53.51 2dk6 s ASP 73 Cb -0.14 -2.40 -0.31 0.00 1.07 0.00 0.00 42.92 41.15 2dk6 s ASP 73 CO 0.19 -0.55 0.86 -0.26 1.18 0.00 0.00 175.17 176.60 2dk6 h PHE 74 N 7.99 0.49 -0.97 4.23 0.04 -1.59 -1.45 116.94 125.69 2dk6 h PHE 74 Ca -0.25 -0.36 0.10 0.00 2.80 0.00 0.00 57.97 60.26 2dk6 h PHE 74 Cb 1.10 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.16 2dk6 h PHE 74 CO 0.77 1.30 0.62 0.00 -0.60 0.00 0.00 178.31 180.39 2dk6 h ALA 75 N 0.07 1.54 0.00 2.45 0.00 -1.51 0.11 119.26 121.90 2dk6 h ALA 75 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dk6 h ALA 75 Cb 1.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2dk6 h ALA 75 CO 0.13 0.26 -0.45 0.39 0.00 0.00 0.00 179.25 179.58 2dk6 n GLU 76 N -4.55 0.20 -3.47 0.00 -0.58 -1.25 -4.96 120.64 106.03 2dk6 n GLU 76 Ca 0.17 0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.80 2dk6 n GLU 76 Cb 0.30 -1.64 0.09 0.00 -0.57 0.00 0.00 31.44 29.61 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk6 n MET 77 N -1.94 -6.97 -3.51 3.49 2.81 0.02 -5.01 117.12 106.01 2dk6 n MET 77 Ca 0.04 0.83 -0.15 0.00 -1.81 0.00 0.00 57.70 56.62 2dk6 n MET 77 Cb 0.41 -5.84 -0.05 0.00 -0.71 0.00 0.00 33.22 27.03 2dk6 n MET 77 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2dk6 s LYS 78 N -5.64 1.10 -0.12 0.03 -2.85 -0.61 -3.49 119.74 108.17 2dk6 s LYS 78 Ca 0.18 -0.06 -0.14 0.00 -1.00 0.00 0.00 55.97 54.94 2dk6 s LYS 78 Cb -0.08 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 2dk6 s LYS 78 CO 0.72 -0.40 0.33 -1.14 0.10 0.00 0.00 175.35 174.96 2dk6 s GLN 79 N -2.18 4.15 -0.40 1.78 2.00 0.43 -1.28 119.66 124.16 2dk6 s GLN 79 Ca -0.06 0.19 -0.16 0.00 -2.00 0.00 0.00 55.36 53.33 2dk6 s GLN 79 Cb -0.01 -3.37 0.01 0.00 0.80 0.00 0.00 33.01 30.44 2dk6 s GLN 79 CO 0.01 0.34 0.37 1.41 -0.50 0.00 0.00 175.29 176.93 2dk6 s MET 80 N 0.11 3.17 -0.64 1.67 -2.45 0.15 -0.81 119.30 120.51 2dk6 s MET 80 Ca 0.19 -0.76 -0.23 0.00 -1.25 0.00 0.00 55.69 53.64 2dk6 s MET 80 Cb -0.14 -3.93 0.06 0.00 1.25 0.00 0.00 34.83 32.07 2dk6 s MET 80 CO 0.07 -0.74 0.99 1.21 1.05 0.00 0.00 175.02 177.59 2dk6 s ASN 81 N 1.75 6.21 -0.07 1.11 3.84 -0.52 -1.75 114.94 125.52 2dk6 s ASN 81 Ca 0.10 -0.78 -0.10 0.00 0.21 0.00 0.00 52.86 52.29 2dk6 s ASN 81 Cb -0.17 -2.44 -0.30 0.00 -0.55 0.00 0.00 41.25 37.79 2dk6 s ASN 81 CO 0.12 -1.42 0.59 -0.07 -2.79 0.00 0.00 177.10 173.53 2dk6 h LEU 82 N 11.41 0.57 -0.98 3.21 3.38 -1.82 0.38 115.31 131.47 2dk6 h LEU 82 Ca -0.28 -0.94 0.33 0.00 0.09 0.00 0.00 57.88 57.07 2dk6 h LEU 82 Cb 1.07 -0.19 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 2dk6 h LEU 82 CO 1.17 1.81 0.32 0.00 0.09 0.00 0.00 178.44 181.82 2dk6 h THR 83 N 0.09 0.09 0.00 0.22 1.03 -1.74 -2.66 112.91 109.95 2dk6 h THR 83 Ca -0.36 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 65.98 2dk6 h THR 83 Cb 2.08 0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 69.17 2dk6 h THR 83 CO 0.16 0.01 -1.19 0.35 -0.01 0.00 0.00 175.52 174.84 2dk6 n THR 84 N -5.31 0.12 -0.68 0.00 -2.24 -1.26 -4.98 114.28 99.93 2dk6 n THR 84 Ca 0.29 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2dk6 n THR 84 Cb 0.97 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 2.57 1.31 3.98 3.38 0.00 0.11 -5.10 105.19 111.43 2dk6 n GLY 85 Ca -0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 2dk6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 86 N -1.79 2.54 -0.15 1.61 -0.14 0.26 -4.94 119.74 117.12 2dk6 s LYS 86 Ca 0.00 -1.52 0.02 0.00 -1.36 0.00 0.00 55.97 53.11 2dk6 s LYS 86 Cb 0.00 -2.56 0.01 0.00 -1.68 0.00 0.00 37.83 33.60 2dk6 s LYS 86 CO 0.00 -0.47 -0.20 -0.65 -0.76 0.00 0.00 175.35 173.26 2dk6 s GLN 87 N -4.39 3.04 0.19 1.68 -0.21 -1.26 -1.45 119.66 117.27 2dk6 s GLN 87 Ca 0.53 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 55.16 2dk6 s GLN 87 Cb -0.06 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2dk6 s GLN 87 CO 0.32 -0.07 -0.16 1.03 -2.12 0.00 0.00 175.29 174.30 2dk6 s ARG 88 N 0.95 1.32 0.38 2.91 1.81 0.01 -4.98 118.95 121.35 2dk6 s ARG 88 Ca -0.03 -1.53 0.07 0.00 -1.72 0.00 0.00 55.73 52.52 2dk6 s ARG 88 Cb -0.15 -1.22 -0.01 0.00 -0.45 0.00 0.00 34.95 33.13 2dk6 s ARG 88 CO -0.05 0.22 0.48 -0.51 -0.68 0.00 0.00 175.30 174.76 2dk6 s LEU 89 N -3.09 3.72 0.22 2.53 1.02 -1.26 0.16 118.68 121.98 2dk6 s LEU 89 Ca 0.20 -0.40 -0.06 0.00 0.02 0.00 0.00 54.13 53.89 2dk6 s LEU 89 Cb -0.03 -2.55 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 2dk6 s LEU 89 CO 0.07 -0.59 0.28 0.27 0.02 0.00 0.00 176.35 176.40 2dk6 s ILE 90 N -2.30 0.00 -0.16 -0.59 -4.36 -1.23 -1.07 121.20 111.48 2dk6 s ILE 90 Ca 0.49 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.83 2dk6 s ILE 90 Cb -0.08 -2.38 0.13 0.00 1.25 0.00 0.00 42.46 41.38 2dk6 s ILE 90 CO 0.31 0.00 1.04 -1.59 0.24 0.00 0.00 174.94 174.94 2dk6 s LYS 91 N -4.08 0.53 -0.23 0.37 -2.85 -0.84 -4.72 119.74 107.91 2dk6 s LYS 91 Ca 0.32 0.07 -0.06 0.00 -1.00 0.00 0.00 55.97 55.30 2dk6 s LYS 91 Cb 0.04 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 2dk6 s LYS 91 CO 0.11 -0.18 0.01 0.50 0.10 0.00 0.00 175.35 175.90 2dk6 s ARG 92 N -1.39 3.53 0.01 1.78 3.52 -1.26 -1.68 118.95 123.46 2dk6 s ARG 92 Ca 0.01 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 54.89 2dk6 s ARG 92 Cb -0.01 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 30.25 2dk6 s ARG 92 CO -0.01 -0.17 0.38 0.00 -0.81 0.00 0.00 175.30 174.69 2dk6 s ALA 93 N 1.50 -0.94 0.42 6.12 0.00 -0.31 -5.01 121.76 123.53 2dk6 s ALA 93 Ca 0.06 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2dk6 s ALA 93 Cb -0.15 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2dk6 s ALA 93 CO 0.00 -0.35 1.18 -1.25 0.00 0.00 0.00 175.76 175.35 2dk6 s PRO 94 N -1.82 3.96 0.79 0.00 0.04 -1.26 -1.41 135.00 135.31 2dk6 s PRO 94 Ca -0.10 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 2dk6 s PRO 94 Cb -0.03 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2dk6 s PRO 94 CO 0.02 -0.40 0.92 1.19 0.04 0.00 0.00 177.00 178.76 2dk6 n PHE 95 N -0.07 0.39 -2.29 0.56 3.01 -1.23 -4.78 117.46 113.06 2dk6 n PHE 95 Ca 0.05 0.37 -0.23 0.00 1.01 0.00 0.00 57.45 58.65 2dk6 n PHE 95 Cb 0.47 -2.02 0.01 0.00 -0.01 0.00 0.00 39.48 37.93 2dk6 n PHE 95 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2dk6 n SER 96 N -2.13 4.51 -2.07 4.37 7.64 -1.26 -4.85 113.62 119.84 2dk6 n SER 96 Ca 0.12 -3.60 -0.19 0.00 1.01 0.00 0.00 58.87 56.21 2dk6 n SER 96 Cb 0.51 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2dk6 n SER 96 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk6 n SER 97 N -0.58 6.37 0.00 6.43 2.88 -1.26 -5.00 113.62 122.46 2dk6 n SER 97 Ca 0.38 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 2dk6 n SER 97 Cb 0.82 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2dk6 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 98 N 0.67 0.93 3.60 0.46 0.00 -1.26 -4.81 105.19 104.76 2dk6 n GLY 98 Ca 0.35 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2dk6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk6 s PRO 99 N 0.00 -1.15 -0.24 1.61 0.04 -1.26 -5.03 135.00 128.97 2dk6 s PRO 99 Ca 0.00 -0.04 -0.08 0.00 0.04 0.00 0.00 61.00 60.92 2dk6 s PRO 99 Cb 0.00 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 2dk6 s PRO 99 CO 0.00 -3.67 0.09 -1.54 0.04 0.00 0.00 177.00 171.92 2dk6 s SER 100 N -3.87 5.38 -0.22 6.66 1.04 -1.26 -5.03 113.70 116.40 2dk6 s SER 100 Ca 0.71 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.76 2dk6 s SER 100 Cb -0.10 -1.96 0.07 0.00 0.10 0.00 0.00 66.02 64.13 2dk6 s SER 100 CO 0.56 0.01 0.73 -0.55 0.98 0.00 0.00 173.24 174.98 2dk6 s SER 101 N 1.33 -0.71 0.00 7.02 0.15 -1.26 -5.18 113.70 115.05 2dk6 s SER 101 Ca 0.05 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2dk6 s SER 101 Cb -0.15 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 2dk6 s SER 101 CO 0.04 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.76