#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 n SER 2 N 0.00 -1.59 -4.81 1.61 3.41 -1.26 -4.89 113.62 106.09 2dn6 n SER 2 Ca 0.00 -1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 57.13 2dn6 n SER 2 Cb 0.00 -2.23 -0.07 0.00 -0.26 0.00 0.00 64.21 61.65 2dn6 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dn6 s SER 3 N -3.66 7.09 0.00 4.04 0.15 -1.26 -4.91 113.70 115.16 2dn6 s SER 3 Ca 0.52 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.84 2dn6 s SER 3 Cb -0.29 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2dn6 s SER 3 CO 0.97 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.83 2dn6 n GLY 4 N 0.01 0.00 0.37 9.45 0.00 -1.26 -4.99 105.19 108.76 2dn6 n GLY 4 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 2dn6 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dn6 h SER 5 N 0.00 -1.36 -3.70 1.61 4.64 -1.91 -3.31 113.55 109.53 2dn6 h SER 5 Ca 0.00 0.25 -0.62 0.00 -0.47 0.00 0.00 61.79 60.95 2dn6 h SER 5 Cb 0.00 0.66 -0.40 0.00 -0.31 0.00 0.00 62.40 62.34 2dn6 h SER 5 CO 0.00 -0.31 -0.71 -0.44 -0.87 0.00 0.00 176.83 174.50 2dn6 s SER 6 N -5.21 4.12 0.00 4.97 0.01 -1.26 -5.05 113.70 111.28 2dn6 s SER 6 Ca -0.14 -2.44 0.00 0.00 1.31 0.00 0.00 55.95 54.68 2dn6 s SER 6 Cb 0.15 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2dn6 s SER 6 CO 0.68 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2dn6 n GLY 7 N 3.83 0.63 2.38 3.44 0.00 -1.25 -5.07 105.19 109.15 2dn6 n GLY 7 Ca 0.05 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 2dn6 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dn6 n VAL 8 N 9.00 0.00 -0.02 1.61 0.31 -1.26 -4.37 118.33 123.60 2dn6 n VAL 8 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2dn6 n VAL 8 Cb 0.00 -0.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.54 2dn6 n VAL 8 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dn6 h LEU 9 N 7.23 -0.07 -8.73 7.52 3.38 -1.40 -3.43 115.31 119.81 2dn6 h LEU 9 Ca -0.06 -0.25 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 2dn6 h LEU 9 Cb 0.98 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 2dn6 h LEU 9 CO 0.86 0.54 -0.75 -0.75 0.09 0.00 0.00 178.44 178.42 2dn6 s LYS 10 N -2.08 1.16 -0.25 1.13 2.20 -1.21 -4.95 119.74 115.74 2dn6 s LYS 10 Ca -0.06 -1.39 -0.21 0.00 -0.36 0.00 0.00 55.97 53.95 2dn6 s LYS 10 Cb -0.00 -1.02 0.07 0.00 -1.51 0.00 0.00 37.83 35.37 2dn6 s LYS 10 CO 0.22 0.18 0.66 1.14 -0.36 0.00 0.00 175.35 177.20 2dn6 s GLN 11 N -3.09 0.74 0.00 4.03 -2.07 -1.26 -1.64 119.66 116.37 2dn6 s GLN 11 Ca 0.15 1.00 0.00 0.00 -1.82 0.00 0.00 55.36 54.69 2dn6 s GLN 11 Cb -0.03 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 2dn6 s GLN 11 CO 0.04 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.31 2dn6 n GLY 12 N 3.22 1.42 3.67 2.60 0.00 -1.17 -5.00 105.19 109.92 2dn6 n GLY 12 Ca -0.16 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2dn6 n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dn6 s TYR 13 N -2.00 2.87 0.06 1.61 2.02 -1.26 -2.37 117.35 118.27 2dn6 s TYR 13 Ca 0.00 0.99 0.04 0.00 -0.37 0.00 0.00 57.07 57.73 2dn6 s TYR 13 Cb 0.00 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.01 2dn6 s TYR 13 CO 0.00 -1.81 -0.13 -1.64 -1.57 0.00 0.00 175.55 170.40 2dn6 s MET 14 N 3.16 0.78 -0.36 -0.62 -1.94 0.85 -4.85 119.30 116.31 2dn6 s MET 14 Ca 0.57 -0.85 -0.19 0.00 -1.71 0.00 0.00 55.69 53.50 2dn6 s MET 14 Cb -0.24 -0.74 0.00 0.00 2.01 0.00 0.00 34.83 35.86 2dn6 s MET 14 CO 0.18 0.17 0.58 -1.64 -0.01 0.00 0.00 175.02 174.30 2dn6 s MET 15 N -1.53 3.59 -0.19 2.03 1.00 -1.19 -1.41 119.30 121.60 2dn6 s MET 15 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 55.69 55.47 2dn6 s MET 15 Cb -0.09 -3.83 -0.04 0.00 0.00 0.00 0.00 34.83 30.86 2dn6 s MET 15 CO 0.02 -0.73 0.08 0.21 0.00 0.00 0.00 175.02 174.60 2dn6 s LYS 16 N 2.57 4.01 -0.29 2.03 2.20 -1.12 0.58 119.74 129.72 2dn6 s LYS 16 Ca 0.21 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.21 2dn6 s LYS 16 Cb -0.15 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2dn6 s LYS 16 CO 0.15 0.24 1.36 0.21 -0.36 0.00 0.00 175.35 176.95 2dn6 s LYS 17 N 0.49 3.88 0.77 4.03 2.20 -0.66 -3.95 119.74 126.51 2dn6 s LYS 17 Ca 0.05 1.32 -0.17 0.00 -0.36 0.00 0.00 55.97 56.80 2dn6 s LYS 17 Cb -0.12 -3.91 -0.14 0.00 -1.51 0.00 0.00 37.83 32.14 2dn6 s LYS 17 CO 0.00 -1.17 -0.45 0.41 -0.36 0.00 0.00 175.35 173.79 2dn6 n GLY 18 N 4.40 -3.90 0.40 5.54 0.00 -1.21 -4.57 105.19 105.85 2dn6 n GLY 18 Ca 0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2dn6 n GLY 18 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2dn6 h HIS 19 N -0.55 -1.52 -0.61 1.61 -0.00 -1.96 -3.14 115.15 108.97 2dn6 h HIS 19 Ca -0.43 0.07 -0.43 0.00 -0.00 0.00 0.00 60.37 59.58 2dn6 h HIS 19 Cb 1.37 0.71 -0.40 0.00 -0.00 0.00 0.00 27.41 29.09 2dn6 h HIS 19 CO 0.23 -0.44 -0.89 2.89 -0.00 0.00 0.00 177.93 179.72 2dn6 n ARG 20 N -5.07 2.94 -4.26 5.26 -4.01 -1.26 -5.02 116.66 105.25 2dn6 n ARG 20 Ca -0.03 -3.91 -0.23 0.00 -1.04 0.00 0.00 57.85 52.64 2dn6 n ARG 20 Cb 0.30 -2.02 -0.17 0.00 -3.04 0.00 0.00 32.46 27.53 2dn6 n ARG 20 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2dn6 s ARG 21 N -3.57 1.29 -0.07 2.89 0.52 -1.19 -5.03 118.95 113.80 2dn6 s ARG 21 Ca 0.44 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 2dn6 s ARG 21 Cb 0.38 -1.22 -0.11 0.00 0.52 0.00 0.00 34.95 34.52 2dn6 s ARG 21 CO 0.01 -0.09 2.90 1.63 0.02 0.00 0.00 175.30 179.77 2dn6 n LYS 22 N 4.20 1.70 -4.54 3.54 5.02 -1.26 -3.34 118.16 123.48 2dn6 n LYS 22 Ca -0.20 -0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 54.98 2dn6 n LYS 22 Cb 0.51 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 2dn6 n LYS 22 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dn6 s ASN 23 N 1.71 2.52 -0.20 4.39 2.47 -1.26 -5.06 114.94 119.50 2dn6 s ASN 23 Ca 0.42 -0.57 -0.03 0.00 0.42 0.00 0.00 52.86 53.09 2dn6 s ASN 23 Cb 0.22 -0.19 -0.01 0.00 -1.45 0.00 0.00 41.25 39.82 2dn6 s ASN 23 CO -0.02 0.13 -0.05 0.26 -3.72 0.00 0.00 177.10 173.70 2dn6 s TRP 24 N -0.91 2.94 -0.05 0.43 0.52 -1.26 -3.46 118.94 117.16 2dn6 s TRP 24 Ca 0.07 -0.82 0.05 0.00 0.02 0.00 0.00 56.10 55.42 2dn6 s TRP 24 Cb -0.09 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.17 2dn6 s TRP 24 CO 0.03 -0.44 -0.19 0.99 0.02 0.00 0.00 176.95 177.35 2dn6 s THR 25 N 1.19 1.60 0.14 2.01 2.01 -1.25 -4.97 115.64 116.36 2dn6 s THR 25 Ca 0.02 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2dn6 s THR 25 Cb -0.14 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 2dn6 s THR 25 CO -0.01 0.45 1.15 -0.70 -0.69 0.00 0.00 174.62 174.82 2dn6 s GLU 26 N -0.01 4.52 0.11 4.92 2.12 -1.26 -2.80 118.70 126.31 2dn6 s GLU 26 Ca -0.04 1.76 -0.15 0.00 0.36 0.00 0.00 54.97 56.90 2dn6 s GLU 26 Cb -0.12 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.01 2dn6 s GLU 26 CO 0.03 -0.06 0.37 1.03 -0.54 0.00 0.00 175.26 176.09 2dn6 s ARG 27 N 0.09 1.02 0.13 4.30 0.52 -0.50 -4.93 118.95 119.57 2dn6 s ARG 27 Ca 0.53 -0.70 -0.27 0.00 -0.52 0.00 0.00 55.73 54.77 2dn6 s ARG 27 Cb -0.30 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 2dn6 s ARG 27 CO 0.34 -0.38 0.86 -0.46 0.02 0.00 0.00 175.30 175.67 2dn6 s TRP 28 N -3.64 3.84 -0.09 -0.53 -0.11 -0.29 -0.11 118.94 118.02 2dn6 s TRP 28 Ca 0.02 1.69 0.02 0.00 1.22 0.00 0.00 56.10 59.05 2dn6 s TRP 28 Cb 0.02 -2.91 0.01 0.00 -1.50 0.00 0.00 33.47 29.09 2dn6 s TRP 28 CO -0.11 0.34 -0.16 -0.06 -4.62 0.00 0.00 176.95 172.35 2dn6 s PHE 29 N -0.49 1.90 -0.38 5.86 0.40 -1.00 -0.74 117.98 123.52 2dn6 s PHE 29 Ca 0.41 -0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 2dn6 s PHE 29 Cb -0.23 -1.35 0.09 0.00 0.51 0.00 0.00 43.02 42.04 2dn6 s PHE 29 CO 0.27 -0.40 0.16 0.08 0.70 0.00 0.00 175.22 176.04 2dn6 s VAL 30 N 0.76 3.27 -0.73 -0.44 1.01 0.27 -3.06 120.40 121.48 2dn6 s VAL 30 Ca -0.11 -1.87 -0.27 0.00 0.00 0.00 0.00 61.98 59.73 2dn6 s VAL 30 Cb -0.16 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.10 2dn6 s VAL 30 CO 0.02 -0.55 1.29 -0.22 0.00 0.00 0.00 175.10 175.64 2dn6 s LEU 31 N 1.18 3.17 0.64 3.92 2.96 -0.65 -1.41 118.68 128.49 2dn6 s LEU 31 Ca 0.05 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2dn6 s LEU 31 Cb -0.22 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 43.90 2dn6 s LEU 31 CO -0.03 -1.85 1.00 -0.54 -1.32 0.00 0.00 176.35 173.61 2dn6 s LYS 32 N 5.76 3.04 0.45 1.98 -0.14 0.15 -1.13 119.74 129.85 2dn6 s LYS 32 Ca 0.36 0.34 0.24 0.00 -1.36 0.00 0.00 55.97 55.54 2dn6 s LYS 32 Cb -0.08 -2.14 1.01 0.00 -1.68 0.00 0.00 37.83 34.95 2dn6 s LYS 32 CO 0.15 -0.80 1.87 -1.00 -0.76 0.00 0.00 175.35 174.82 2dn6 h PRO 33 N -0.38 0.00 0.00 -1.68 0.13 -1.95 -3.23 132.00 124.88 2dn6 h PRO 33 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2dn6 h PRO 33 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2dn6 h PRO 33 CO 0.62 0.23 -0.61 0.09 -0.23 0.00 0.00 178.00 178.10 2dn6 n ASN 34 N -3.49 0.85 -3.94 1.44 4.13 -1.26 -4.84 115.26 108.15 2dn6 n ASN 34 Ca -0.00 -2.36 0.04 0.00 1.68 0.00 0.00 54.58 53.93 2dn6 n ASN 34 Cb 0.39 -0.30 0.01 0.00 -1.54 0.00 0.00 39.78 38.34 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2dn6 s ILE 35 N -0.76 0.00 -0.26 2.41 2.07 -1.22 -3.97 121.20 119.47 2dn6 s ILE 35 Ca 0.20 -0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 2dn6 s ILE 35 Cb 0.21 -2.89 0.13 0.00 0.13 0.00 0.00 42.46 40.04 2dn6 s ILE 35 CO -0.06 0.00 0.32 -0.63 -1.91 0.00 0.00 174.94 172.66 2dn6 s ILE 36 N -2.01 -0.47 -0.11 2.00 1.01 -1.14 0.31 121.20 120.77 2dn6 s ILE 36 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2dn6 s ILE 36 Cb 0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2dn6 s ILE 36 CO -0.03 -0.29 -0.11 -0.44 0.00 0.00 0.00 174.94 174.08 2dn6 s SER 37 N 2.43 4.25 -0.23 3.58 0.01 -0.50 -1.34 113.70 121.90 2dn6 s SER 37 Ca 0.10 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 2dn6 s SER 37 Cb -0.14 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.64 2dn6 s SER 37 CO -0.23 0.22 -0.10 -0.72 0.41 0.00 0.00 173.24 172.82 2dn6 s TYR 38 N 0.03 2.99 0.04 2.43 1.13 -1.25 0.94 117.35 123.66 2dn6 s TYR 38 Ca -0.03 -1.55 -0.14 0.00 -1.41 0.00 0.00 57.07 53.94 2dn6 s TYR 38 Cb -0.14 -2.02 -0.06 0.00 -1.10 0.00 0.00 41.96 38.64 2dn6 s TYR 38 CO 0.04 -0.73 0.44 0.71 -2.51 0.00 0.00 175.55 173.50 2dn6 s TYR 39 N 1.32 3.70 0.60 -3.49 1.51 0.08 -1.82 117.35 119.26 2dn6 s TYR 39 Ca 0.02 1.01 0.28 0.00 -1.01 0.00 0.00 57.07 57.37 2dn6 s TYR 39 Cb -0.16 -2.30 1.44 0.00 -0.11 0.00 0.00 41.96 40.83 2dn6 s TYR 39 CO -0.07 0.60 1.85 -0.24 -1.11 0.00 0.00 175.55 176.58 2dn6 h VAL 40 N 3.45 0.28 -3.21 0.71 3.04 -1.53 -0.76 116.25 118.23 2dn6 h VAL 40 Ca -0.51 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 64.76 2dn6 h VAL 40 Cb 1.21 0.58 -0.14 0.00 -2.01 0.00 0.00 31.29 30.93 2dn6 h VAL 40 CO 0.63 0.00 -0.61 -0.44 -1.01 0.00 0.00 177.57 176.14 2dn6 s SER 41 N -4.96 1.91 -0.23 3.17 0.01 -1.26 -4.24 113.70 108.10 2dn6 s SER 41 Ca -0.04 -1.37 0.02 0.00 1.31 0.00 0.00 55.95 55.87 2dn6 s SER 41 Cb 0.14 0.01 0.34 0.00 0.21 0.00 0.00 66.02 66.73 2dn6 s SER 41 CO 0.50 -0.65 1.48 -1.84 0.41 0.00 0.00 173.24 173.14 2dn6 n GLU 42 N -0.59 1.65 -0.00 12.44 0.28 -1.26 -3.70 120.64 129.45 2dn6 n GLU 42 Ca -0.01 -1.55 0.04 0.00 -0.16 0.00 0.00 57.16 55.47 2dn6 n GLU 42 Cb 0.66 -1.61 -0.05 0.00 1.43 0.00 0.00 31.44 31.88 2dn6 n GLU 42 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2dn6 n ASP 43 N -0.34 1.88 -1.45 -1.84 5.68 -1.26 -5.01 116.55 114.22 2dn6 n ASP 43 Ca 0.31 -0.32 -0.13 0.00 -0.50 0.00 0.00 54.79 54.15 2dn6 n ASP 43 Cb 1.10 1.17 -0.01 0.00 -1.14 0.00 0.00 41.12 42.25 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2dn6 n LEU 44 N -1.47 -1.56 -0.06 -2.12 4.77 -1.24 -4.92 117.00 110.40 2dn6 n LEU 44 Ca -0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2dn6 n LEU 44 Cb 0.15 -2.00 -0.13 0.00 -2.33 0.00 0.00 43.42 39.11 2dn6 n LEU 44 CO 0.15 -0.16 -0.98 0.29 -1.33 0.00 0.00 177.39 175.36 2dn6 n LYS 45 N -2.25 0.69 -3.96 3.23 4.76 -1.26 -4.83 118.16 114.53 2dn6 n LYS 45 Ca -0.15 0.28 -0.34 0.00 -2.87 0.00 0.00 58.31 55.23 2dn6 n LYS 45 Cb 0.61 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 32.01 2dn6 n LYS 45 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dn6 s ASP 46 N -6.92 4.76 -0.07 4.39 1.11 -1.26 -5.09 116.67 113.60 2dn6 s ASP 46 Ca -0.28 -1.50 -0.23 0.00 0.18 0.00 0.00 52.55 50.72 2dn6 s ASP 46 Cb 0.08 -1.66 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 2dn6 s ASP 46 CO 0.67 -0.28 0.68 -0.75 1.18 0.00 0.00 175.17 176.67 2dn6 s LYS 47 N 1.15 4.43 -0.02 8.23 2.20 -1.26 -1.54 119.74 132.92 2dn6 s LYS 47 Ca -0.03 0.85 -0.20 0.00 -0.36 0.00 0.00 55.97 56.22 2dn6 s LYS 47 Cb -0.20 -3.44 -0.32 0.00 -1.51 0.00 0.00 37.83 32.36 2dn6 s LYS 47 CO -0.04 0.09 0.94 0.87 -0.36 0.00 0.00 175.35 176.85 2dn6 h LYS 48 N 6.70 0.38 0.00 4.03 1.79 -1.70 -3.47 116.57 124.30 2dn6 h LYS 48 Ca -0.41 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 57.44 2dn6 h LYS 48 Cb 1.20 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 2dn6 h LYS 48 CO 0.75 1.29 0.00 0.41 -1.08 0.00 0.00 179.45 180.82 2dn6 n GLY 49 N 1.63 1.73 3.34 3.86 0.00 -1.25 -5.06 105.19 109.44 2dn6 n GLY 49 Ca -0.14 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2dn6 n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dn6 s ASP 50 N 1.83 -0.36 -0.40 1.61 1.47 -1.26 -3.88 116.67 115.68 2dn6 s ASP 50 Ca 0.00 0.29 0.02 0.00 1.18 0.00 0.00 52.55 54.04 2dn6 s ASP 50 Cb 0.00 0.40 0.12 0.00 -0.34 0.00 0.00 42.92 43.10 2dn6 s ASP 50 CO 0.00 -0.53 0.17 -0.63 0.68 0.00 0.00 175.17 174.86 2dn6 s ILE 51 N -1.41 1.72 -0.47 2.11 1.01 -0.45 -4.99 121.20 118.72 2dn6 s ILE 51 Ca -0.12 -2.39 -0.30 0.00 0.00 0.00 0.00 60.65 57.84 2dn6 s ILE 51 Cb -0.03 -2.24 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 2dn6 s ILE 51 CO 0.05 -0.76 2.35 0.18 0.00 0.00 0.00 174.94 176.77 2dn6 n LEU 52 N 3.93 2.11 -4.73 2.97 4.77 -1.26 -2.89 117.00 121.90 2dn6 n LEU 52 Ca 0.04 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 2dn6 n LEU 52 Cb 0.37 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 2dn6 n LEU 52 CO 0.23 -1.02 0.77 -0.76 -1.33 0.00 0.00 177.39 175.28 2dn6 s LEU 53 N 9.48 4.45 -0.07 2.23 1.43 -1.26 -4.85 118.68 130.09 2dn6 s LEU 53 Ca 1.08 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 2dn6 s LEU 53 Cb -0.59 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.13 2dn6 s LEU 53 CO 0.39 -0.25 0.78 -0.62 0.23 0.00 0.00 176.35 176.88 2dn6 s ASP 54 N 0.30 -0.56 0.15 2.29 2.15 -1.26 -4.79 116.67 114.96 2dn6 s ASP 54 Ca 0.51 0.57 0.06 0.00 0.43 0.00 0.00 52.55 54.13 2dn6 s ASP 54 Cb -0.27 0.46 0.50 0.00 -0.30 0.00 0.00 42.92 43.31 2dn6 s ASP 54 CO 0.32 -0.54 0.70 -1.84 -0.17 0.00 0.00 175.17 173.64 2dn6 n GLU 55 N 0.77 -0.03 0.24 4.34 0.28 -1.26 0.21 120.64 125.19 2dn6 n GLU 55 Ca -0.16 0.64 -0.16 0.00 -0.16 0.00 0.00 57.16 57.32 2dn6 n GLU 55 Cb 0.58 -1.09 -0.08 0.00 1.43 0.00 0.00 31.44 32.28 2dn6 n GLU 55 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dn6 h ASN 56 N 0.00 -0.81 -3.82 -1.84 2.35 -1.96 -3.43 115.58 106.08 2dn6 h ASN 56 Ca 0.34 0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 55.58 2dn6 h ASN 56 Cb 0.83 0.26 0.15 0.00 0.05 0.00 0.00 38.32 39.61 2dn6 h ASN 56 CO -0.37 -0.46 0.37 0.00 -1.65 0.00 0.00 177.43 175.32 2dn6 s VAL 59 N -3.70 3.35 0.02 0.00 0.11 -1.26 0.37 120.40 119.29 2dn6 s VAL 59 Ca 0.07 -0.60 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 2dn6 s VAL 59 Cb -0.03 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2dn6 s VAL 59 CO -0.02 0.58 -0.18 -1.61 -3.33 0.00 0.00 175.10 170.55 2dn6 s GLU 60 N -0.56 1.25 -0.19 1.54 0.41 0.47 -4.95 118.70 116.67 2dn6 s GLU 60 Ca 0.08 -0.78 -0.27 0.00 -0.41 0.00 0.00 54.97 53.59 2dn6 s GLU 60 Cb -0.12 -1.28 -0.00 0.00 -1.78 0.00 0.00 34.13 30.95 2dn6 s GLU 60 CO 0.02 0.33 0.92 -1.54 -0.49 0.00 0.00 175.26 174.50 2dn6 s SER 61 N -0.92 7.02 0.18 -0.19 1.04 -1.26 -1.84 113.70 117.72 2dn6 s SER 61 Ca 0.05 1.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.74 2dn6 s SER 61 Cb -0.08 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2dn6 s SER 61 CO 0.01 -0.51 0.36 -0.76 0.98 0.00 0.00 173.24 173.31 2dn6 s LEU 62 N 2.60 4.26 0.00 2.42 1.43 -1.22 -4.95 118.68 123.22 2dn6 s LEU 62 Ca 0.41 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 2dn6 s LEU 62 Cb -0.16 -3.12 0.21 0.00 0.03 0.00 0.00 46.19 43.15 2dn6 s LEU 62 CO 0.10 -0.00 0.75 -0.81 0.23 0.00 0.00 176.35 176.62 2dn6 n PRO 63 N -0.49 -2.50 -3.31 1.29 -0.04 -1.26 -4.21 135.00 124.48 2dn6 n PRO 63 Ca -0.05 -1.20 -0.43 0.00 -0.04 0.00 0.00 63.50 61.78 2dn6 n PRO 63 Cb 0.53 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 2dn6 n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dn6 s ASP 64 N -3.53 6.19 0.01 3.54 1.01 -1.26 -4.50 116.67 118.14 2dn6 s ASP 64 Ca 0.49 -0.78 -0.04 0.00 0.71 0.00 0.00 52.55 52.93 2dn6 s ASP 64 Cb -0.05 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 2dn6 s ASP 64 CO 0.37 -0.63 0.06 -1.59 0.21 0.00 0.00 175.17 173.59 2dn6 s LYS 65 N 2.14 0.42 -0.59 8.23 0.00 -1.26 -4.82 119.74 123.86 2dn6 s LYS 65 Ca 0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 55.97 55.52 2dn6 s LYS 65 Cb -0.18 0.16 0.00 0.00 0.00 0.00 0.00 37.83 37.81 2dn6 s LYS 65 CO 0.13 -0.09 0.18 -3.47 0.00 0.00 0.00 175.35 172.10 2dn6 n ASP 66 N 1.42 -3.15 -2.67 0.03 2.03 -1.26 -3.58 116.55 109.37 2dn6 n ASP 66 Ca -0.23 -0.09 -0.12 0.00 0.52 0.00 0.00 54.79 54.87 2dn6 n ASP 66 Cb 0.56 -2.14 0.06 0.00 -0.72 0.00 0.00 41.12 38.88 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dn6 n GLY 67 N -1.03 -0.11 3.80 0.27 0.00 -1.26 -5.04 105.19 101.82 2dn6 n GLY 67 Ca -0.05 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2dn6 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s LYS 68 N -5.06 2.21 0.00 1.61 -0.14 -1.23 -5.08 119.74 112.05 2dn6 s LYS 68 Ca 0.05 -2.17 0.00 0.00 -1.36 0.00 0.00 55.97 52.49 2dn6 s LYS 68 Cb -0.02 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 2dn6 s LYS 68 CO 0.50 -0.40 0.00 1.63 -0.76 0.00 0.00 175.35 176.32 2dn6 n LYS 69 N -1.42 0.00 -3.66 1.68 4.01 -1.26 -4.65 118.16 112.86 2dn6 n LYS 69 Ca -0.10 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.41 2dn6 n LYS 69 Cb 0.66 -0.41 -0.14 0.00 -0.51 0.00 0.00 35.03 34.62 2dn6 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dn6 s LEU 71 N 1.53 3.47 -0.29 0.00 1.43 -1.26 -1.67 118.68 121.88 2dn6 s LEU 71 Ca 0.11 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 2dn6 s LEU 71 Cb -0.18 -2.11 0.18 0.00 0.03 0.00 0.00 46.19 44.11 2dn6 s LEU 71 CO -0.22 -0.53 1.20 0.72 0.23 0.00 0.00 176.35 177.74 2dn6 s PHE 72 N -2.41 -0.24 0.16 0.29 -0.12 -0.84 -3.44 117.98 111.38 2dn6 s PHE 72 Ca 0.45 0.51 0.08 0.00 -0.05 0.00 0.00 56.93 57.92 2dn6 s PHE 72 Cb -0.04 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2dn6 s PHE 72 CO 0.27 -0.12 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.98 2dn6 s LEU 73 N 0.83 2.44 -0.16 -1.99 0.20 -0.77 -1.34 118.68 117.90 2dn6 s LEU 73 Ca -0.04 -0.86 -0.03 0.00 0.69 0.00 0.00 54.13 53.89 2dn6 s LEU 73 Cb -0.03 -0.77 -0.02 0.00 -0.43 0.00 0.00 46.19 44.93 2dn6 s LEU 73 CO -0.12 -0.06 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.12 2dn6 s VAL 74 N -2.12 3.55 -0.29 1.68 1.01 0.60 -0.39 120.40 124.44 2dn6 s VAL 74 Ca 0.15 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2dn6 s VAL 74 Cb -0.05 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2dn6 s VAL 74 CO 0.06 0.49 0.19 -0.75 0.00 0.00 0.00 175.10 175.09 2dn6 s LYS 75 N 0.54 3.80 0.51 2.72 2.47 0.16 -2.02 119.74 127.92 2dn6 s LYS 75 Ca -0.05 -0.42 0.05 0.00 -1.56 0.00 0.00 55.97 53.99 2dn6 s LYS 75 Cb -0.15 -3.66 0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2dn6 s LYS 75 CO 0.03 -0.25 0.28 0.00 0.16 0.00 0.00 175.35 175.57 2dn6 n PHE 77 N -1.56 0.00 0.00 0.00 3.72 -1.26 -3.96 117.46 114.39 2dn6 n PHE 77 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2dn6 n PHE 77 Cb 0.65 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2dn6 n PHE 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2dn6 n ASP 78 N -1.73 3.74 -4.88 4.37 -0.08 -1.26 -5.06 116.55 111.64 2dn6 n ASP 78 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2dn6 n ASP 78 Cb 0.00 0.56 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 2dn6 n ASP 78 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2dn6 s LYS 79 N -1.62 3.73 0.15 -0.67 -2.85 -1.25 -5.10 119.74 112.12 2dn6 s LYS 79 Ca 0.00 0.34 0.04 0.00 -1.00 0.00 0.00 55.97 55.35 2dn6 s LYS 79 Cb 0.00 -2.45 -0.04 0.00 -2.06 0.00 0.00 37.83 33.28 2dn6 s LYS 79 CO 0.00 0.01 -0.08 0.95 0.10 0.00 0.00 175.35 176.33 2dn6 s THR 80 N -2.33 1.04 -0.19 3.79 -4.23 -1.26 -1.69 115.64 110.77 2dn6 s THR 80 Ca 0.49 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2dn6 s THR 80 Cb -0.10 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 71.94 2dn6 s THR 80 CO 0.32 -0.71 0.27 -0.36 -0.54 0.00 0.00 174.62 173.60 2dn6 s PHE 81 N -3.41 -0.45 -0.22 3.99 0.40 -0.86 -5.01 117.98 112.43 2dn6 s PHE 81 Ca 0.17 0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 57.00 2dn6 s PHE 81 Cb 0.04 -0.17 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 2dn6 s PHE 81 CO 0.01 -0.55 0.22 -2.00 0.70 0.00 0.00 175.22 173.60 2dn6 s GLU 82 N 2.41 4.13 0.01 0.44 -6.30 -1.26 -0.29 118.70 117.84 2dn6 s GLU 82 Ca 0.06 -0.12 0.04 0.00 -2.50 0.00 0.00 54.97 52.46 2dn6 s GLU 82 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 34.13 30.46 2dn6 s GLU 82 CO -0.12 0.09 -0.13 0.42 0.02 0.00 0.00 175.26 175.54 2dn6 s ILE 83 N 0.94 1.04 0.05 -3.70 1.01 -0.45 -1.65 121.20 118.45 2dn6 s ILE 83 Ca 0.11 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2dn6 s ILE 83 Cb -0.13 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2dn6 s ILE 83 CO 0.04 0.14 -0.14 -0.55 0.00 0.00 0.00 174.94 174.43 2dn6 s SER 84 N -0.72 4.13 0.07 3.58 0.15 0.20 -1.99 113.70 119.12 2dn6 s SER 84 Ca 0.03 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.39 2dn6 s SER 84 Cb -0.06 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.45 2dn6 s SER 84 CO 0.00 0.24 -0.16 0.00 1.20 0.00 0.00 173.24 174.52 2dn6 s ALA 85 N -1.03 2.70 -0.07 5.45 0.00 -0.67 -3.15 121.76 125.00 2dn6 s ALA 85 Ca 0.17 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2dn6 s ALA 85 Cb -0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 2dn6 s ALA 85 CO 0.08 0.59 0.45 0.77 0.00 0.00 0.00 175.76 177.65 2dn6 h SER 86 N 4.16 -0.23 -3.77 0.00 0.02 -1.93 -3.38 113.55 108.43 2dn6 h SER 86 Ca -0.49 -0.10 -0.68 0.00 -0.84 0.00 0.00 61.79 59.69 2dn6 h SER 86 Cb 1.16 0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 2dn6 h SER 86 CO 0.48 0.28 -0.75 -1.81 -1.14 0.00 0.00 176.83 173.89 2dn6 s ASP 87 N -5.30 4.24 0.33 3.07 1.01 -1.26 -4.76 116.67 114.00 2dn6 s ASP 87 Ca -0.06 -0.29 0.11 0.00 0.71 0.00 0.00 52.55 53.02 2dn6 s ASP 87 Cb 0.00 -0.85 1.04 0.00 1.01 0.00 0.00 42.92 44.12 2dn6 s ASP 87 CO 0.21 0.26 1.61 0.50 0.21 0.00 0.00 175.17 177.96 2dn6 h LYS 88 N 4.45 0.10 -0.63 8.23 3.64 -1.94 0.84 116.57 131.25 2dn6 h LYS 88 Ca -0.48 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 2dn6 h LYS 88 Cb 1.16 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.85 2dn6 h LYS 88 CO 0.51 0.06 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.09 2dn6 h LYS 89 N 0.10 -0.19 0.65 1.90 1.63 -1.99 0.06 116.57 118.73 2dn6 h LYS 89 Ca 0.71 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.50 2dn6 h LYS 89 Cb 1.68 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.34 2dn6 h LYS 89 CO -0.76 -0.13 -0.50 0.87 -3.45 0.00 0.00 179.45 175.49 2dn6 h LYS 90 N -0.20 -1.07 -0.37 1.90 6.56 -1.24 -0.51 116.57 121.64 2dn6 h LYS 90 Ca 0.19 0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.89 2dn6 h LYS 90 Cb 0.56 0.24 -0.05 0.00 -0.57 0.00 0.00 32.23 32.41 2dn6 h LYS 90 CO -0.73 -0.71 -0.27 -0.22 -2.06 0.00 0.00 179.45 175.46 2dn6 h LYS 91 N -1.11 -0.06 0.00 3.15 3.11 -1.23 0.36 116.57 120.80 2dn6 h LYS 91 Ca -0.08 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2dn6 h LYS 91 Cb 0.92 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2dn6 h LYS 91 CO 0.02 -0.04 0.00 0.94 -2.81 0.00 0.00 179.45 177.56 2dn6 n GLN 92 N -4.02 0.00 -0.34 1.90 7.27 -0.06 -1.12 117.38 121.00 2dn6 n GLN 92 Ca 0.00 0.68 -0.05 0.00 0.07 0.00 0.00 57.00 57.70 2dn6 n GLN 92 Cb 0.14 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.29 2dn6 n GLN 92 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2dn6 n GLU 93 N -2.33 -0.28 0.02 3.69 -0.58 -0.20 -0.25 120.64 120.71 2dn6 n GLU 93 Ca 0.00 1.30 -0.04 0.00 -0.42 0.00 0.00 57.16 58.00 2dn6 n GLU 93 Cb 0.00 -1.92 -0.02 0.00 -0.57 0.00 0.00 31.44 28.93 2dn6 n GLU 93 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 2dn6 h TRP 94 N 0.00 -0.37 -0.81 -0.32 4.06 -0.05 0.15 115.95 118.61 2dn6 h TRP 94 Ca 0.22 0.01 0.19 0.00 2.06 0.00 0.00 58.89 61.37 2dn6 h TRP 94 Cb 0.44 0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 28.61 2dn6 h TRP 94 CO -0.81 -0.14 -0.01 0.82 -3.56 0.00 0.00 178.44 174.74 2dn6 h ILE 95 N -0.17 0.26 -0.60 1.49 2.04 0.22 0.32 117.51 121.07 2dn6 h ILE 95 Ca 0.00 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2dn6 h ILE 95 Cb 0.17 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2dn6 h ILE 95 CO -0.08 0.01 0.34 1.56 0.00 0.00 0.00 178.15 179.98 2dn6 h GLN 96 N 0.08 0.63 0.46 2.37 4.20 -0.07 0.27 115.11 123.04 2dn6 h GLN 96 Ca 0.45 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 2dn6 h GLN 96 Cb 0.81 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2dn6 h GLN 96 CO -0.74 0.41 -0.22 0.00 -0.67 0.00 0.00 178.83 177.61 2dn6 h ALA 97 N 1.30 -0.62 0.04 3.87 0.00 0.24 -1.94 119.26 122.14 2dn6 h ALA 97 Ca 0.26 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2dn6 h ALA 97 Cb 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2dn6 h ALA 97 CO -0.15 -0.73 -0.18 0.82 0.00 0.00 0.00 179.25 179.01 2dn6 h ILE 98 N -0.86 0.57 -0.23 0.00 2.04 -0.69 0.22 117.51 118.57 2dn6 h ILE 98 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2dn6 h ILE 98 Cb 0.57 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 2dn6 h ILE 98 CO 0.10 0.00 -0.35 -0.74 0.00 0.00 0.00 178.15 177.16 2dn6 h HIS 99 N -0.31 -0.98 -0.82 1.37 2.76 -0.51 -1.05 115.15 115.60 2dn6 h HIS 99 Ca 0.04 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2dn6 h HIS 99 Cb 0.37 0.47 -0.06 0.00 1.55 0.00 0.00 27.41 29.74 2dn6 h HIS 99 CO -0.21 -0.41 0.51 0.77 -1.30 0.00 0.00 177.93 177.28 2dn6 h SER 100 N -0.37 0.81 -0.86 3.26 0.02 -1.11 -1.83 113.55 113.47 2dn6 h SER 100 Ca 0.12 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.21 2dn6 h SER 100 Cb 0.56 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.86 2dn6 h SER 100 CO -0.43 0.53 0.47 0.74 -1.14 0.00 0.00 176.83 176.99 2dn6 h THR 101 N 0.95 0.80 -0.11 -2.27 2.02 0.30 -0.47 112.91 114.13 2dn6 h THR 101 Ca 0.35 -0.24 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2dn6 h THR 101 Cb 0.13 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2dn6 h THR 101 CO -0.16 0.13 -0.57 0.40 0.37 0.00 0.00 175.52 175.69 2dn6 h ILE 102 N 0.71 1.36 -0.86 3.11 2.04 -0.56 -3.07 117.51 120.23 2dn6 h ILE 102 Ca 0.45 -1.89 0.16 0.00 1.00 0.00 0.00 64.86 64.58 2dn6 h ILE 102 Cb 0.56 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 2dn6 h ILE 102 CO -0.32 0.57 0.56 -0.74 0.00 0.00 0.00 178.15 178.22 2dn6 h HIS 103 N 0.26 0.69 -0.14 1.37 2.76 -0.35 0.55 115.15 120.29 2dn6 h HIS 103 Ca -0.00 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.03 2dn6 h HIS 103 Cb 1.08 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 2dn6 h HIS 103 CO 0.03 0.24 -0.58 -0.07 -1.30 0.00 0.00 177.93 176.24 2dn6 h LEU 104 N 0.56 0.49 -2.13 0.26 3.38 -1.41 -2.90 115.31 113.55 2dn6 h LEU 104 Ca 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2dn6 h LEU 104 Cb 0.86 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2dn6 h LEU 104 CO -0.18 0.96 -0.07 -0.07 0.09 0.00 0.00 178.44 179.16 2dn6 h LEU 105 N 0.33 0.00 0.02 1.67 3.38 -0.93 -2.51 115.31 117.26 2dn6 h LEU 105 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2dn6 h LEU 105 Cb 1.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.87 2dn6 h LEU 105 CO 0.10 0.07 -0.69 0.11 0.09 0.00 0.00 178.44 178.12 2dn6 h LYS 106 N 0.00 0.44 -1.05 1.13 6.56 -1.28 -2.99 116.57 119.38 2dn6 h LYS 106 Ca -0.00 -0.50 0.29 0.00 -1.06 0.00 0.00 60.65 59.38 2dn6 h LYS 106 Cb 0.18 0.15 -0.12 0.00 -0.57 0.00 0.00 32.23 31.87 2dn6 h LYS 106 CO 0.01 1.15 0.64 -0.07 -2.06 0.00 0.00 179.45 179.12 2dn6 h LEU 107 N -0.06 0.52 -6.00 2.94 -0.00 -1.40 -3.37 115.31 107.94 2dn6 h LEU 107 Ca -0.09 0.13 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 2dn6 h LEU 107 Cb 1.41 0.05 -0.20 0.00 -0.00 0.00 0.00 40.66 41.92 2dn6 h LEU 107 CO 0.14 0.02 -0.28 -0.83 -0.00 0.00 0.00 178.44 177.48 2dn6 s GLY 108 N -4.00 -1.18 0.37 0.83 0.00 -1.22 -5.14 107.32 96.98 2dn6 s GLY 108 Ca -0.10 1.33 -0.27 0.00 0.00 0.00 0.00 44.72 45.69 2dn6 s GLY 108 CO 0.80 3.80 1.23 -1.26 0.00 0.00 0.00 173.10 177.66 2dn6 n SER 109 N 5.34 2.40 -4.38 1.64 2.88 -1.13 -4.81 113.62 115.55 2dn6 n SER 109 Ca 0.06 1.16 -0.45 0.00 -1.33 0.00 0.00 58.87 58.31 2dn6 n SER 109 Cb 0.55 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.52 2dn6 n SER 109 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn6 s SER 110 N -0.44 6.46 0.00 -3.46 0.01 -1.26 -4.89 113.70 110.12 2dn6 s SER 110 Ca 0.58 -1.94 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2dn6 s SER 110 Cb -0.56 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2dn6 s SER 110 CO 0.60 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2dn6 n GLY 111 N 4.99 -0.55 3.77 3.44 0.00 -1.26 -5.13 105.19 110.44 2dn6 n GLY 111 Ca 0.06 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2dn6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn6 s PRO 112 N -1.76 4.17 0.49 1.61 0.04 -1.26 -5.00 135.00 133.30 2dn6 s PRO 112 Ca 0.00 1.94 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 2dn6 s PRO 112 Cb 0.00 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 2dn6 s PRO 112 CO 0.00 -0.25 1.19 -1.12 0.04 0.00 0.00 177.00 176.86 2dn6 s SER 113 N -0.94 5.92 -0.09 6.66 0.01 -1.26 -4.99 113.70 119.00 2dn6 s SER 113 Ca 0.54 2.35 -0.00 0.00 1.31 0.00 0.00 55.95 60.15 2dn6 s SER 113 Cb -0.33 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.29 2dn6 s SER 113 CO 0.43 -1.09 -0.00 0.28 0.41 0.00 0.00 173.24 173.26 2dn6 h SER 114 N 1.76 0.00 0.00 2.44 0.02 -2.00 -3.55 113.55 112.22 2dn6 h SER 114 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2dn6 h SER 114 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dn6 h SER 114 CO 0.59 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 177.36