#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 s SER 2 N 0.00 7.36 0.04 1.61 0.01 -1.26 -5.05 113.70 116.41 2dn6 s SER 2 Ca 0.00 1.62 0.02 0.00 1.31 0.00 0.00 55.95 58.90 2dn6 s SER 2 Cb 0.00 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2dn6 s SER 2 CO 0.00 0.11 -0.08 -0.44 0.41 0.00 0.00 173.24 173.24 2dn6 s SER 3 N -0.63 0.85 0.00 2.44 0.01 -1.26 -5.05 113.70 110.07 2dn6 s SER 3 Ca 0.38 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dn6 s SER 3 Cb -0.22 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2dn6 s SER 3 CO 0.26 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2dn6 n GLY 4 N 1.50 0.00 3.98 3.44 0.00 -1.26 -5.17 105.19 107.68 2dn6 n GLY 4 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2dn6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn6 s SER 5 N 0.00 5.36 -0.29 1.61 0.01 -1.26 -5.07 113.70 114.06 2dn6 s SER 5 Ca 0.00 -0.11 -0.19 0.00 1.31 0.00 0.00 55.95 56.96 2dn6 s SER 5 Cb 0.00 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 2dn6 s SER 5 CO 0.00 -1.06 0.59 -0.55 0.41 0.00 0.00 173.24 172.63 2dn6 s SER 6 N -4.41 6.47 0.74 2.44 0.15 -1.26 -4.85 113.70 112.99 2dn6 s SER 6 Ca 0.57 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2dn6 s SER 6 Cb -0.10 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2dn6 s SER 6 CO 0.37 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2dn6 n GLY 7 N 4.42 1.83 3.78 9.45 0.00 -1.26 -4.88 105.19 118.53 2dn6 n GLY 7 Ca -0.02 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2dn6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s VAL 8 N 0.00 3.56 -0.24 1.61 0.11 -1.26 -4.24 120.40 119.93 2dn6 s VAL 8 Ca 0.00 1.13 -0.16 0.00 -2.93 0.00 0.00 61.98 60.02 2dn6 s VAL 8 Cb 0.00 -3.56 -0.16 0.00 -1.53 0.00 0.00 36.38 31.14 2dn6 s VAL 8 CO 0.00 -0.05 -0.09 0.18 -3.33 0.00 0.00 175.10 171.81 2dn6 n LEU 9 N -0.39 2.00 -4.22 2.54 4.77 0.32 -4.86 117.00 117.16 2dn6 n LEU 9 Ca 0.07 0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 56.20 2dn6 n LEU 9 Cb 0.50 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 2dn6 n LEU 9 CO 0.44 0.49 -0.46 -0.75 -1.33 0.00 0.00 177.39 175.78 2dn6 s LYS 10 N -2.45 0.96 -0.23 3.23 2.20 -1.18 -5.02 119.74 117.24 2dn6 s LYS 10 Ca -0.34 -1.12 -0.17 0.00 -0.36 0.00 0.00 55.97 53.98 2dn6 s LYS 10 Cb 0.11 -0.92 0.07 0.00 -1.51 0.00 0.00 37.83 35.57 2dn6 s LYS 10 CO 0.55 0.19 0.60 1.14 -0.36 0.00 0.00 175.35 177.47 2dn6 s GLN 11 N -2.25 0.65 0.00 4.03 -2.07 -1.26 -1.39 119.66 117.37 2dn6 s GLN 11 Ca 0.05 0.97 0.00 0.00 -1.82 0.00 0.00 55.36 54.55 2dn6 s GLN 11 Cb -0.07 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2dn6 s GLN 11 CO 0.03 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 2dn6 n GLY 12 N 3.61 0.93 3.58 2.60 0.00 -1.17 -4.99 105.19 109.75 2dn6 n GLY 12 Ca -0.18 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 1.60 0.13 1.61 2.02 -1.26 -2.75 117.35 116.71 2dn6 s TYR 13 Ca 0.00 0.76 0.08 0.00 -0.37 0.00 0.00 57.07 57.54 2dn6 s TYR 13 Cb 0.00 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.49 2dn6 s TYR 13 CO 0.00 -2.90 -0.08 -1.64 -1.57 0.00 0.00 175.55 169.36 2dn6 s MET 14 N 6.37 2.15 -0.40 -0.62 -1.94 0.30 -4.81 119.30 120.36 2dn6 s MET 14 Ca 0.82 -1.09 -0.20 0.00 -1.71 0.00 0.00 55.69 53.50 2dn6 s MET 14 Cb -0.21 -2.28 0.01 0.00 2.01 0.00 0.00 34.83 34.37 2dn6 s MET 14 CO 0.30 0.48 0.64 -1.64 -0.01 0.00 0.00 175.02 174.79 2dn6 s MET 15 N -2.47 3.48 -0.30 2.03 -1.94 -1.16 0.15 119.30 119.09 2dn6 s MET 15 Ca 0.23 -0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 53.93 2dn6 s MET 15 Cb -0.10 -3.88 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 2dn6 s MET 15 CO 0.15 -0.87 0.19 0.21 -0.01 0.00 0.00 175.02 174.69 2dn6 s LYS 16 N 2.76 3.78 0.62 2.03 2.20 -0.09 -0.03 119.74 131.02 2dn6 s LYS 16 Ca 0.23 -0.43 0.17 0.00 -0.36 0.00 0.00 55.97 55.58 2dn6 s LYS 16 Cb -0.14 -3.67 0.91 0.00 -1.51 0.00 0.00 37.83 33.41 2dn6 s LYS 16 CO 0.17 -0.26 1.49 -0.22 -0.36 0.00 0.00 175.35 176.17 2dn6 h LYS 17 N 8.39 0.00 0.00 4.03 3.64 -1.60 -2.99 116.57 128.05 2dn6 h LYS 17 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2dn6 h LYS 17 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2dn6 h LYS 17 CO 0.58 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.17 2dn6 n GLY 18 N -1.32 2.36 0.40 5.01 0.00 -1.26 -3.96 105.19 106.42 2dn6 n GLY 18 Ca -0.01 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 2dn6 n GLY 18 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2dn6 h HIS 19 N 0.00 -1.42 0.00 1.61 -0.00 -1.95 -3.40 115.15 109.99 2dn6 h HIS 19 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2dn6 h HIS 19 Cb 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2dn6 h HIS 19 CO 0.00 -0.41 -0.27 -2.13 -0.00 0.00 0.00 177.93 175.12 2dn6 n ARG 20 N -5.38 0.00 -1.22 5.12 3.00 -1.26 -4.98 116.66 111.94 2dn6 n ARG 20 Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.53 2dn6 n ARG 20 Cb 0.34 -0.30 0.07 0.00 0.00 0.00 0.00 32.46 32.57 2dn6 n ARG 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2dn6 n ARG 21 N -2.36 0.24 0.13 -0.14 3.00 -1.26 -4.92 116.66 111.33 2dn6 n ARG 21 Ca 0.00 0.12 -0.21 0.00 -0.00 0.00 0.00 57.85 57.76 2dn6 n ARG 21 Cb 0.14 -1.76 -0.15 0.00 0.00 0.00 0.00 32.46 30.68 2dn6 n ARG 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2dn6 h LYS 22 N -0.45 0.43 -5.17 -0.14 2.10 -1.93 -3.36 116.57 108.05 2dn6 h LYS 22 Ca -0.45 -0.73 -0.72 0.00 -2.00 0.00 0.00 60.65 56.75 2dn6 h LYS 22 Cb 1.35 0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 32.94 2dn6 h LYS 22 CO 0.41 1.35 0.81 -1.71 -2.00 0.00 0.00 179.45 178.31 2dn6 n ASN 23 N -3.63 0.89 -4.80 7.07 5.15 -1.25 -4.71 115.26 113.97 2dn6 n ASN 23 Ca -0.14 0.85 -0.38 0.00 -0.60 0.00 0.00 54.58 54.32 2dn6 n ASN 23 Cb 1.07 -0.77 -0.06 0.00 -0.53 0.00 0.00 39.78 39.50 2dn6 n ASN 23 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2dn6 s TRP 24 N 3.60 3.76 -0.12 1.20 0.52 -1.26 -4.25 118.94 122.38 2dn6 s TRP 24 Ca 0.96 1.46 -0.11 0.00 0.02 0.00 0.00 56.10 58.43 2dn6 s TRP 24 Cb -1.29 -2.66 0.03 0.00 -1.15 0.00 0.00 33.47 28.40 2dn6 s TRP 24 CO 0.65 0.43 0.33 -0.08 0.02 0.00 0.00 176.95 178.30 2dn6 s THR 25 N -1.35 0.00 0.58 2.01 -1.32 -1.13 -4.97 115.64 109.46 2dn6 s THR 25 Ca 0.39 -0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.68 2dn6 s THR 25 Cb -0.19 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 2dn6 s THR 25 CO 0.23 -0.00 1.14 -0.70 -2.21 0.00 0.00 174.62 173.08 2dn6 s GLU 26 N 0.15 3.15 -0.20 7.08 2.56 -1.26 -0.91 118.70 129.26 2dn6 s GLU 26 Ca -0.00 1.62 -0.28 0.00 0.00 0.00 0.00 54.97 56.31 2dn6 s GLU 26 Cb -0.02 -1.98 0.12 0.00 2.00 0.00 0.00 34.13 34.25 2dn6 s GLU 26 CO 0.01 -1.02 0.97 1.03 -0.56 0.00 0.00 175.26 175.69 2dn6 s ARG 27 N -3.44 0.61 0.12 4.30 0.52 0.12 -4.85 118.95 116.33 2dn6 s ARG 27 Ca 0.73 0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 2dn6 s ARG 27 Cb -0.25 0.29 -0.07 0.00 0.52 0.00 0.00 34.95 35.44 2dn6 s ARG 27 CO 0.31 -0.14 1.23 -0.46 0.02 0.00 0.00 175.30 176.26 2dn6 s TRP 28 N -0.52 3.40 -0.03 -0.53 -0.11 0.11 -0.54 118.94 120.72 2dn6 s TRP 28 Ca -0.01 1.29 0.06 0.00 1.22 0.00 0.00 56.10 58.67 2dn6 s TRP 28 Cb -0.02 -3.47 -0.02 0.00 -1.50 0.00 0.00 33.47 28.45 2dn6 s TRP 28 CO -0.01 -1.45 -0.21 -0.06 -4.62 0.00 0.00 176.95 170.60 2dn6 s PHE 29 N 0.60 2.48 -0.47 5.86 0.40 -1.11 0.73 117.98 126.47 2dn6 s PHE 29 Ca 0.57 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 2dn6 s PHE 29 Cb -0.32 -1.55 0.13 0.00 0.51 0.00 0.00 43.02 41.79 2dn6 s PHE 29 CO 0.33 0.05 0.24 0.08 0.70 0.00 0.00 175.22 176.61 2dn6 s VAL 30 N -0.65 1.98 -0.47 -0.44 1.01 0.81 -3.03 120.40 119.62 2dn6 s VAL 30 Ca 0.10 -2.91 -0.28 0.00 0.00 0.00 0.00 61.98 58.90 2dn6 s VAL 30 Cb -0.10 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2dn6 s VAL 30 CO -0.00 -0.84 1.70 -0.22 0.00 0.00 0.00 175.10 175.73 2dn6 s LEU 31 N 0.07 3.43 0.51 3.92 2.96 -0.49 -2.22 118.68 126.86 2dn6 s LEU 31 Ca 0.17 0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 2dn6 s LEU 31 Cb -0.25 -3.13 0.01 0.00 0.50 0.00 0.00 46.19 43.31 2dn6 s LEU 31 CO -0.00 -1.88 0.76 -0.54 -1.32 0.00 0.00 176.35 173.37 2dn6 s LYS 32 N 5.96 2.93 0.43 1.98 3.01 0.22 -0.52 119.74 133.75 2dn6 s LYS 32 Ca 0.69 -0.39 0.21 0.00 -1.01 0.00 0.00 55.97 55.47 2dn6 s LYS 32 Cb -0.16 -2.46 0.93 0.00 -1.01 0.00 0.00 37.83 35.13 2dn6 s LYS 32 CO 0.28 -0.47 1.85 -1.00 0.51 0.00 0.00 175.35 176.51 2dn6 h PRO 33 N 0.17 0.00 0.00 -1.68 0.13 -1.95 -3.24 132.00 125.43 2dn6 h PRO 33 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2dn6 h PRO 33 Cb 1.26 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 2dn6 h PRO 33 CO 0.58 0.27 -0.66 0.09 -0.23 0.00 0.00 178.00 178.05 2dn6 n ASN 34 N -3.58 0.93 -3.74 1.44 4.13 -1.26 -4.80 115.26 108.38 2dn6 n ASN 34 Ca -0.01 -2.41 0.04 0.00 1.68 0.00 0.00 54.58 53.89 2dn6 n ASN 34 Cb 0.41 -0.32 0.00 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 -0.81 0.00 -0.26 2.41 2.07 -1.22 -3.65 121.20 119.73 2dn6 s ILE 35 Ca 0.23 -0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 2dn6 s ILE 35 Cb 0.24 -2.41 0.13 0.00 0.13 0.00 0.00 42.46 40.56 2dn6 s ILE 35 CO -0.08 0.00 0.34 -0.63 -1.91 0.00 0.00 174.94 172.66 2dn6 s ILE 36 N -2.04 -0.51 0.42 2.00 1.01 -0.95 0.71 121.20 121.84 2dn6 s ILE 36 Ca 0.22 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.71 2dn6 s ILE 36 Cb 0.04 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2dn6 s ILE 36 CO -0.05 -0.26 0.46 -0.94 0.00 0.00 0.00 174.94 174.15 2dn6 s SER 37 N 2.46 5.31 -0.14 3.58 1.04 -0.94 -0.62 113.70 124.39 2dn6 s SER 37 Ca 0.10 -0.61 -0.06 0.00 0.48 0.00 0.00 55.95 55.86 2dn6 s SER 37 Cb -0.14 -0.60 0.06 0.00 0.10 0.00 0.00 66.02 65.44 2dn6 s SER 37 CO -0.23 -0.71 0.31 -0.72 0.98 0.00 0.00 173.24 172.87 2dn6 s TYR 38 N -2.42 -0.48 -0.10 5.02 1.13 -1.25 -0.13 117.35 119.11 2dn6 s TYR 38 Ca 0.51 1.05 -0.00 0.00 -1.41 0.00 0.00 57.07 57.22 2dn6 s TYR 38 Cb -0.06 0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.88 2dn6 s TYR 38 CO 0.30 -0.33 -0.08 0.71 -2.51 0.00 0.00 175.55 173.64 2dn6 s TYR 39 N 1.85 2.91 0.63 -3.49 1.51 0.23 -2.27 117.35 118.71 2dn6 s TYR 39 Ca -0.05 -0.24 0.16 0.00 -1.01 0.00 0.00 57.07 55.94 2dn6 s TYR 39 Cb -0.11 -1.80 0.89 0.00 -0.11 0.00 0.00 41.96 40.83 2dn6 s TYR 39 CO -0.10 0.09 1.49 -0.39 -1.11 0.00 0.00 175.55 175.53 2dn6 h VAL 40 N 4.77 0.00 -4.62 0.71 -1.51 -1.73 0.31 116.25 114.18 2dn6 h VAL 40 Ca -0.38 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 64.80 2dn6 h VAL 40 Cb 1.18 0.36 -0.14 0.00 -2.13 0.00 0.00 31.29 30.57 2dn6 h VAL 40 CO 0.56 0.00 -0.56 -0.55 -1.23 0.00 0.00 177.57 175.79 2dn6 s SER 41 N -3.75 0.53 -0.20 4.19 0.15 -1.26 -4.29 113.70 109.06 2dn6 s SER 41 Ca -0.02 -1.46 0.03 0.00 0.70 0.00 0.00 55.95 55.20 2dn6 s SER 41 Cb 0.05 0.44 0.36 0.00 -1.71 0.00 0.00 66.02 65.15 2dn6 s SER 41 CO 0.15 -0.92 1.38 -1.84 1.20 0.00 0.00 173.24 173.21 2dn6 n GLU 42 N -0.37 1.99 -0.00 5.44 0.28 -1.26 -3.76 120.64 122.96 2dn6 n GLU 42 Ca 0.03 -1.54 0.08 0.00 -0.16 0.00 0.00 57.16 55.57 2dn6 n GLU 42 Cb 0.65 -1.67 -0.10 0.00 1.43 0.00 0.00 31.44 31.74 2dn6 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dn6 n ASP 43 N -0.16 0.85 -3.41 -1.84 8.00 -1.26 -4.99 116.55 113.74 2dn6 n ASP 43 Ca 0.26 -0.70 -0.24 0.00 0.71 0.00 0.00 54.79 54.81 2dn6 n ASP 43 Cb 1.00 1.16 0.05 0.00 -0.02 0.00 0.00 41.12 43.31 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dn6 n LEU 44 N -1.54 -2.85 -0.06 0.64 4.77 -1.25 -4.88 117.00 111.84 2dn6 n LEU 44 Ca 0.02 -0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 55.44 2dn6 n LEU 44 Cb 0.30 -2.87 -0.06 0.00 -2.33 0.00 0.00 43.42 38.46 2dn6 n LEU 44 CO 0.34 0.43 -0.91 0.29 -1.33 0.00 0.00 177.39 176.21 2dn6 n LYS 45 N -4.49 0.31 -3.50 3.23 4.76 -1.26 -4.86 118.16 112.35 2dn6 n LYS 45 Ca -0.03 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 2dn6 n LYS 45 Cb 0.58 -1.23 -0.05 0.00 -1.84 0.00 0.00 35.03 32.49 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 -5.28 6.08 0.23 4.39 1.01 -1.26 -5.06 116.67 116.78 2dn6 s ASP 46 Ca -0.17 -2.70 -0.26 0.00 0.71 0.00 0.00 52.55 50.13 2dn6 s ASP 46 Cb 0.05 -2.06 -0.09 0.00 1.01 0.00 0.00 42.92 41.83 2dn6 s ASP 46 CO 0.28 -0.50 0.87 -0.75 0.21 0.00 0.00 175.17 175.27 2dn6 s LYS 47 N 0.16 4.64 -0.02 8.23 2.20 -1.26 -2.45 119.74 131.24 2dn6 s LYS 47 Ca 0.17 1.28 0.18 0.00 -0.36 0.00 0.00 55.97 57.24 2dn6 s LYS 47 Cb -0.16 -3.12 -0.26 0.00 -1.51 0.00 0.00 37.83 32.78 2dn6 s LYS 47 CO -0.06 0.47 0.51 1.63 -0.36 0.00 0.00 175.35 177.54 2dn6 n LYS 48 N 1.22 0.71 -3.95 4.03 4.76 -0.96 -4.95 118.16 119.02 2dn6 n LYS 48 Ca -0.02 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2dn6 n LYS 48 Cb 0.49 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2dn6 n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dn6 n GLY 49 N 1.44 -0.96 3.35 0.72 0.00 -1.26 -5.05 105.19 103.44 2dn6 n GLY 49 Ca -0.01 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 -0.47 -0.64 1.61 -4.77 -1.26 -3.90 116.67 103.23 2dn6 s ASP 50 Ca 0.00 0.91 -0.09 0.00 -3.30 0.00 0.00 52.55 50.07 2dn6 s ASP 50 Cb 0.00 0.93 0.17 0.00 -1.09 0.00 0.00 42.92 42.92 2dn6 s ASP 50 CO 0.00 -0.16 0.53 -0.63 0.70 0.00 0.00 175.17 175.60 2dn6 s ILE 51 N 0.22 4.61 -0.42 2.11 1.01 0.21 -4.96 121.20 123.98 2dn6 s ILE 51 Ca -0.00 -2.34 -0.30 0.00 0.00 0.00 0.00 60.65 58.01 2dn6 s ILE 51 Cb -0.03 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2dn6 s ILE 51 CO 0.01 -0.90 2.33 0.18 0.00 0.00 0.00 174.94 176.56 2dn6 n LEU 52 N 4.20 2.33 -4.78 2.97 4.77 -1.26 -2.23 117.00 123.01 2dn6 n LEU 52 Ca 0.03 0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.67 2dn6 n LEU 52 Cb 0.42 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 2dn6 n LEU 52 CO 0.38 -1.00 0.79 -0.76 -1.33 0.00 0.00 177.39 175.47 2dn6 s LEU 53 N 9.41 3.97 -0.23 2.23 1.43 -1.24 -4.90 118.68 129.34 2dn6 s LEU 53 Ca 1.06 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 56.07 2dn6 s LEU 53 Cb -0.52 -4.33 0.16 0.00 0.03 0.00 0.00 46.19 41.53 2dn6 s LEU 53 CO 0.38 -0.89 1.20 -0.62 0.23 0.00 0.00 176.35 176.65 2dn6 s ASP 54 N -1.53 -0.20 0.27 2.29 2.15 -1.26 -4.83 116.67 113.56 2dn6 s ASP 54 Ca 0.65 0.24 0.16 0.00 0.43 0.00 0.00 52.55 54.03 2dn6 s ASP 54 Cb -0.25 0.20 0.98 0.00 -0.30 0.00 0.00 42.92 43.54 2dn6 s ASP 54 CO 0.30 -0.17 1.13 -1.84 -0.17 0.00 0.00 175.17 174.43 2dn6 n GLU 55 N 0.79 -0.04 0.19 4.34 -0.00 -1.26 0.13 120.64 124.78 2dn6 n GLU 55 Ca -0.06 0.99 -0.14 0.00 -0.00 0.00 0.00 57.16 57.95 2dn6 n GLU 55 Cb 0.58 -1.78 -0.07 0.00 -0.00 0.00 0.00 31.44 30.17 2dn6 n GLU 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dn6 h ASN 56 N 0.00 -0.64 -4.19 -1.84 2.35 -1.96 -3.43 115.58 105.86 2dn6 h ASN 56 Ca 0.61 0.05 -0.54 0.00 -0.55 0.00 0.00 56.30 55.88 2dn6 h ASN 56 Cb 1.64 0.21 0.18 0.00 0.05 0.00 0.00 38.32 40.41 2dn6 h ASN 56 CO -0.54 -0.36 0.37 0.00 -1.65 0.00 0.00 177.43 175.24 2dn6 s VAL 59 N -2.52 4.84 0.03 0.00 0.11 -1.26 -0.20 120.40 121.40 2dn6 s VAL 59 Ca 0.02 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2dn6 s VAL 59 Cb -0.01 -3.29 -0.02 0.00 -1.53 0.00 0.00 36.38 31.53 2dn6 s VAL 59 CO -0.05 0.23 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.28 2dn6 s GLU 60 N -2.12 0.45 -0.21 1.54 2.02 0.17 -4.95 118.70 115.61 2dn6 s GLU 60 Ca 0.28 -0.69 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 2dn6 s GLU 60 Cb -0.12 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 33.89 2dn6 s GLU 60 CO 0.20 0.02 0.27 -1.12 0.02 0.00 0.00 175.26 174.65 2dn6 s SER 61 N -1.49 6.30 0.04 -0.19 0.01 -1.26 -0.07 113.70 117.03 2dn6 s SER 61 Ca -0.11 0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2dn6 s SER 61 Cb -0.10 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2dn6 s SER 61 CO -0.00 0.02 -0.04 -0.76 0.41 0.00 0.00 173.24 172.88 2dn6 s LEU 62 N 1.01 3.31 0.00 2.44 1.43 -0.89 -4.93 118.68 121.06 2dn6 s LEU 62 Ca 0.13 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2dn6 s LEU 62 Cb -0.14 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2dn6 s LEU 62 CO 0.05 0.24 0.00 -0.81 0.23 0.00 0.00 176.35 176.07 2dn6 n PRO 63 N 1.17 -0.81 -2.01 1.29 -0.04 -1.26 -2.91 135.00 130.43 2dn6 n PRO 63 Ca -0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 2dn6 n PRO 63 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 2dn6 n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dn6 s ASP 64 N -1.51 5.98 -0.05 3.54 -4.77 -1.26 -4.49 116.67 114.11 2dn6 s ASP 64 Ca 0.00 1.38 0.01 0.00 -3.30 0.00 0.00 52.55 50.64 2dn6 s ASP 64 Cb 0.00 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.27 2dn6 s ASP 64 CO 0.00 -1.62 -0.04 -0.75 0.70 0.00 0.00 175.17 173.45 2dn6 s LYS 65 N 5.48 2.77 -1.23 2.11 2.20 -1.26 -4.63 119.74 125.19 2dn6 s LYS 65 Ca 0.79 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.78 2dn6 s LYS 65 Cb -0.23 -2.63 0.06 0.00 -1.51 0.00 0.00 37.83 33.52 2dn6 s LYS 65 CO 0.33 0.66 0.16 -3.47 -0.36 0.00 0.00 175.35 172.67 2dn6 n ASP 66 N 1.95 -0.05 -2.16 1.43 2.03 -1.26 -0.19 116.55 118.31 2dn6 n ASP 66 Ca -0.17 -0.93 -0.07 0.00 0.52 0.00 0.00 54.79 54.14 2dn6 n ASP 66 Cb 0.53 -1.17 0.03 0.00 -0.72 0.00 0.00 41.12 39.79 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 -1.71 0.06 3.46 0.27 0.00 -1.26 -5.07 105.19 100.94 2dn6 n GLY 67 Ca -0.12 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.99 1.76 0.02 1.61 -0.14 0.73 -5.14 119.74 114.60 2dn6 s LYS 68 Ca 0.12 -2.03 -0.11 0.00 -1.36 0.00 0.00 55.97 52.59 2dn6 s LYS 68 Cb -0.02 -0.65 0.01 0.00 -1.68 0.00 0.00 37.83 35.50 2dn6 s LYS 68 CO 0.31 -0.35 0.23 0.15 -0.76 0.00 0.00 175.35 174.93 2dn6 s LYS 69 N -3.82 0.66 -1.35 1.68 3.01 -1.26 -3.98 119.74 114.69 2dn6 s LYS 69 Ca 0.30 -0.44 -0.10 0.00 -1.01 0.00 0.00 55.97 54.72 2dn6 s LYS 69 Cb 0.05 0.28 0.00 0.00 -1.01 0.00 0.00 37.83 37.16 2dn6 s LYS 69 CO 0.15 -0.19 0.46 0.00 0.51 0.00 0.00 175.35 176.28 2dn6 s LEU 71 N -7.01 3.17 -0.28 0.00 1.43 -1.14 -3.48 118.68 111.36 2dn6 s LEU 71 Ca 0.17 0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 53.67 2dn6 s LEU 71 Cb -0.08 -3.39 0.13 0.00 0.03 0.00 0.00 46.19 42.88 2dn6 s LEU 71 CO 0.91 -1.16 0.97 0.72 0.23 0.00 0.00 176.35 178.02 2dn6 s PHE 72 N -3.01 -0.57 0.06 0.29 -0.12 -1.11 -2.08 117.98 111.43 2dn6 s PHE 72 Ca 0.55 1.26 0.06 0.00 -0.05 0.00 0.00 56.93 58.75 2dn6 s PHE 72 Cb -0.11 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 2dn6 s PHE 72 CO 0.44 -0.28 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.99 2dn6 s LEU 73 N 0.82 2.22 -0.17 -1.99 0.20 0.89 -2.13 118.68 118.52 2dn6 s LEU 73 Ca -0.03 -0.55 -0.04 0.00 0.69 0.00 0.00 54.13 54.20 2dn6 s LEU 73 Cb -0.04 -0.73 -0.03 0.00 -0.43 0.00 0.00 46.19 44.96 2dn6 s LEU 73 CO -0.11 0.04 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.27 2dn6 s VAL 74 N -0.99 3.84 -0.24 1.68 1.01 0.59 0.43 120.40 126.72 2dn6 s VAL 74 Ca 0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2dn6 s VAL 74 Cb -0.09 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2dn6 s VAL 74 CO 0.02 0.48 0.10 -0.54 0.00 0.00 0.00 175.10 175.16 2dn6 s LYS 75 N 0.53 3.80 0.51 2.72 1.02 0.72 -1.78 119.74 127.27 2dn6 s LYS 75 Ca -0.03 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 55.60 2dn6 s LYS 75 Cb -0.14 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2dn6 s LYS 75 CO 0.03 -0.07 0.23 0.00 -0.92 0.00 0.00 175.35 174.61 2dn6 n PHE 77 N -1.50 0.00 0.00 0.00 3.72 -1.26 -3.98 117.46 114.44 2dn6 n PHE 77 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2dn6 n PHE 77 Cb 0.65 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.06 3.67 -4.86 4.37 2.03 -1.26 -5.06 116.55 113.39 2dn6 n ASP 78 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2dn6 n ASP 78 Cb 0.00 0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.78 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dn6 s LYS 79 N -1.69 3.92 0.15 -0.67 1.02 -1.26 -5.09 119.74 116.12 2dn6 s LYS 79 Ca 0.00 0.68 0.05 0.00 0.02 0.00 0.00 55.97 56.72 2dn6 s LYS 79 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2dn6 s LYS 79 CO 0.00 -0.02 -0.11 0.95 -0.92 0.00 0.00 175.35 175.26 2dn6 s THR 80 N -2.27 1.22 -0.10 2.17 -4.23 -1.26 -1.58 115.64 109.58 2dn6 s THR 80 Ca 0.55 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2dn6 s THR 80 Cb -0.10 -1.82 0.05 0.00 1.34 0.00 0.00 72.50 71.98 2dn6 s THR 80 CO 0.25 -0.70 0.21 -0.36 -0.54 0.00 0.00 174.62 173.48 2dn6 s PHE 81 N -3.16 -0.28 -0.22 3.99 0.40 -0.73 -5.01 117.98 112.96 2dn6 s PHE 81 Ca 0.16 0.75 -0.05 0.00 -0.60 0.00 0.00 56.93 57.20 2dn6 s PHE 81 Cb 0.01 -0.13 -0.01 0.00 0.51 0.00 0.00 43.02 43.40 2dn6 s PHE 81 CO 0.01 -0.29 -0.02 -2.00 0.70 0.00 0.00 175.22 173.63 2dn6 s GLU 82 N 2.12 3.44 0.11 0.44 2.12 -1.26 -0.30 118.70 125.37 2dn6 s GLU 82 Ca -0.00 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.81 2dn6 s GLU 82 Cb -0.12 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2dn6 s GLU 82 CO -0.07 -0.18 -0.19 0.42 -0.54 0.00 0.00 175.26 174.70 2dn6 s ILE 83 N 1.47 1.61 -0.08 -3.70 1.01 -0.90 -1.74 121.20 118.87 2dn6 s ILE 83 Ca 0.06 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.15 2dn6 s ILE 83 Cb -0.14 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2dn6 s ILE 83 CO -0.02 -0.17 -0.21 -0.55 0.00 0.00 0.00 174.94 174.00 2dn6 s SER 84 N -2.08 2.69 0.36 3.58 0.15 0.96 -2.76 113.70 116.60 2dn6 s SER 84 Ca 0.07 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 2dn6 s SER 84 Cb -0.09 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.10 2dn6 s SER 84 CO 0.04 0.15 0.60 0.00 1.20 0.00 0.00 173.24 175.23 2dn6 s ALA 85 N 0.28 3.61 -0.11 5.45 0.00 -1.23 -2.98 121.76 126.79 2dn6 s ALA 85 Ca -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 2dn6 s ALA 85 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 2dn6 s ALA 85 CO 0.06 -0.02 0.03 1.03 0.00 0.00 0.00 175.76 176.86 2dn6 h SER 86 N 0.89 0.00 -1.81 0.00 0.87 -1.90 -3.46 113.55 108.15 2dn6 h SER 86 Ca -0.49 -0.09 -0.61 0.00 -1.23 0.00 0.00 61.79 59.38 2dn6 h SER 86 Cb 1.21 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.05 2dn6 h SER 86 CO 0.63 0.60 -0.62 -0.62 -0.53 0.00 0.00 176.83 176.29 2dn6 s ASP 87 N -5.66 3.96 0.47 6.23 2.15 -1.26 -4.99 116.67 117.57 2dn6 s ASP 87 Ca -0.05 -1.19 0.19 0.00 0.43 0.00 0.00 52.55 51.93 2dn6 s ASP 87 Cb 0.00 -0.42 1.18 0.00 -0.30 0.00 0.00 42.92 43.38 2dn6 s ASP 87 CO 0.10 -0.33 1.97 0.11 -0.17 0.00 0.00 175.17 176.86 2dn6 h LYS 88 N 1.82 0.24 0.75 4.34 1.57 -1.95 -2.47 116.57 120.88 2dn6 h LYS 88 Ca -0.43 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 2dn6 h LYS 88 Cb 1.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2dn6 h LYS 88 CO 0.73 0.16 -0.49 -0.22 -0.57 0.00 0.00 179.45 179.06 2dn6 h LYS 89 N 0.25 -1.13 0.40 3.15 1.63 -1.99 -2.25 116.57 116.63 2dn6 h LYS 89 Ca 0.29 0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 2dn6 h LYS 89 Cb 0.79 0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2dn6 h LYS 89 CO -0.06 -0.75 -0.43 0.87 -3.45 0.00 0.00 179.45 175.62 2dn6 h LYS 90 N -1.17 -0.81 -0.48 1.90 6.56 -1.87 0.36 116.57 121.06 2dn6 h LYS 90 Ca -0.10 0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.59 2dn6 h LYS 90 Cb 0.95 0.18 -0.06 0.00 -0.57 0.00 0.00 32.23 32.73 2dn6 h LYS 90 CO 0.08 -0.54 -0.29 1.17 -2.06 0.00 0.00 179.45 177.82 2dn6 n LYS 91 N -5.03 -0.21 0.19 3.15 0.00 -0.98 0.65 118.16 115.93 2dn6 n LYS 91 Ca -0.10 1.07 -0.08 0.00 0.00 0.00 0.00 58.31 59.20 2dn6 n LYS 91 Cb 0.39 -1.58 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 2dn6 n LYS 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2dn6 h GLN 92 N 0.00 -0.48 -1.59 1.64 5.75 -1.30 -0.60 115.11 118.52 2dn6 h GLN 92 Ca 0.08 0.03 0.48 0.00 -0.15 0.00 0.00 58.65 59.09 2dn6 h GLN 92 Cb 0.20 0.11 -0.09 0.00 1.07 0.00 0.00 27.48 28.77 2dn6 h GLN 92 CO -0.46 -0.32 1.11 0.39 -2.65 0.00 0.00 178.83 176.91 2dn6 n GLU 93 N -3.47 -0.01 -0.02 1.69 -0.58 0.13 -0.28 120.64 118.11 2dn6 n GLU 93 Ca -0.06 1.01 -0.00 0.00 -0.42 0.00 0.00 57.16 57.69 2dn6 n GLU 93 Cb 0.20 -2.22 -0.00 0.00 -0.57 0.00 0.00 31.44 28.85 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 -0.01 -0.92 -0.32 4.06 0.48 -3.09 115.95 116.16 2dn6 h TRP 94 Ca 0.82 -0.00 0.25 0.00 2.06 0.00 0.00 58.89 62.02 2dn6 h TRP 94 Cb 3.10 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 31.12 2dn6 h TRP 94 CO -0.00 -0.00 0.35 0.82 -3.56 0.00 0.00 178.44 176.05 2dn6 h ILE 95 N -0.43 0.35 0.18 1.49 2.04 0.64 0.62 117.51 122.40 2dn6 h ILE 95 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2dn6 h ILE 95 Cb 0.01 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2dn6 h ILE 95 CO 0.00 0.05 -0.16 1.56 0.00 0.00 0.00 178.15 179.61 2dn6 h GLN 96 N 0.28 -0.34 0.24 2.37 4.20 -0.79 0.27 115.11 121.34 2dn6 h GLN 96 Ca 0.60 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 2dn6 h GLN 96 Cb 1.24 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2dn6 h GLN 96 CO -0.62 -0.23 -0.17 0.00 -0.67 0.00 0.00 178.83 177.14 2dn6 h ALA 97 N 0.44 -0.39 0.72 3.87 0.00 -0.87 -1.71 119.26 121.31 2dn6 h ALA 97 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2dn6 h ALA 97 Cb 0.33 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2dn6 h ALA 97 CO -0.03 -0.74 -0.50 0.82 0.00 0.00 0.00 179.25 178.81 2dn6 h ILE 98 N -0.41 0.00 -0.71 0.00 2.04 -0.94 0.24 117.51 117.73 2dn6 h ILE 98 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2dn6 h ILE 98 Cb 0.36 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.32 2dn6 h ILE 98 CO -0.00 0.00 -0.47 -0.74 0.00 0.00 0.00 178.15 176.94 2dn6 h HIS 99 N -1.16 -1.41 0.05 1.37 2.76 -0.45 -0.70 115.15 115.61 2dn6 h HIS 99 Ca -0.10 0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2dn6 h HIS 99 Cb 0.94 0.72 -0.03 0.00 1.55 0.00 0.00 27.41 30.59 2dn6 h HIS 99 CO -0.14 -0.42 -0.20 1.03 -1.30 0.00 0.00 177.93 176.90 2dn6 h SER 100 N -0.17 -0.56 -0.94 3.26 0.87 -1.21 -1.11 113.55 113.69 2dn6 h SER 100 Ca 0.19 0.07 0.29 0.00 -1.23 0.00 0.00 61.79 61.11 2dn6 h SER 100 Cb 0.54 0.22 -0.15 0.00 -0.44 0.00 0.00 62.40 62.57 2dn6 h SER 100 CO -0.78 -0.27 0.33 0.74 -0.53 0.00 0.00 176.83 176.32 2dn6 h THR 101 N -0.34 0.23 -0.08 2.23 2.02 0.49 0.13 112.91 117.58 2dn6 h THR 101 Ca 0.04 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2dn6 h THR 101 Cb 0.39 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2dn6 h THR 101 CO -0.15 0.03 -0.15 0.40 0.37 0.00 0.00 175.52 176.03 2dn6 h ILE 102 N 0.18 1.40 -0.95 3.11 2.04 -0.60 -3.20 117.51 119.49 2dn6 h ILE 102 Ca 0.64 -1.43 0.27 0.00 1.00 0.00 0.00 64.86 65.35 2dn6 h ILE 102 Cb 1.42 2.15 -0.14 0.00 -0.74 0.00 0.00 36.82 39.50 2dn6 h ILE 102 CO -0.70 0.40 0.44 -0.74 0.00 0.00 0.00 178.15 177.55 2dn6 h HIS 103 N -0.22 0.71 -0.53 1.37 2.76 0.48 0.84 115.15 120.56 2dn6 h HIS 103 Ca 0.00 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.29 2dn6 h HIS 103 Cb 0.72 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2dn6 h HIS 103 CO 0.11 -0.15 0.35 -0.07 -1.30 0.00 0.00 177.93 176.87 2dn6 h LEU 104 N 0.32 0.36 -0.43 0.26 3.38 -1.35 -0.90 115.31 116.95 2dn6 h LEU 104 Ca 0.64 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.44 2dn6 h LEU 104 Cb 1.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2dn6 h LEU 104 CO -0.60 0.23 -0.71 -0.07 0.09 0.00 0.00 178.44 177.38 2dn6 h LEU 105 N 0.40 0.47 -0.67 1.67 3.38 0.60 -3.21 115.31 117.96 2dn6 h LEU 105 Ca 0.23 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2dn6 h LEU 105 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2dn6 h LEU 105 CO -0.06 1.04 0.40 0.11 0.09 0.00 0.00 178.44 180.02 2dn6 h LYS 106 N 0.28 0.75 -0.60 1.13 1.57 -0.69 -2.72 116.57 116.28 2dn6 h LYS 106 Ca -0.03 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2dn6 h LYS 106 Cb 1.28 -0.17 -0.12 0.00 0.08 0.00 0.00 32.23 33.30 2dn6 h LYS 106 CO 0.12 0.50 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.12 2dn6 h LEU 107 N 0.77 -1.08 0.00 2.94 -0.00 -1.51 -3.48 115.31 112.96 2dn6 h LEU 107 Ca 0.28 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.39 2dn6 h LEU 107 Cb 0.09 0.55 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2dn6 h LEU 107 CO -0.14 -0.29 0.00 0.61 -0.00 0.00 0.00 178.44 178.62 2dn6 n GLY 108 N -1.44 3.99 3.57 0.83 0.00 -1.03 -5.17 105.19 105.95 2dn6 n GLY 108 Ca 0.05 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 2dn6 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn6 s SER 109 N 0.00 -0.41 -1.67 1.61 0.15 -1.26 -4.90 113.70 107.22 2dn6 s SER 109 Ca 0.00 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 2dn6 s SER 109 Cb 0.00 0.33 0.14 0.00 -1.71 0.00 0.00 66.02 64.78 2dn6 s SER 109 CO 0.00 -0.38 0.69 -0.24 1.20 0.00 0.00 173.24 174.51 2dn6 n SER 110 N 0.74 -2.60 -4.13 5.45 2.88 -1.26 -4.94 113.62 109.77 2dn6 n SER 110 Ca -0.11 -1.04 -0.15 0.00 -1.33 0.00 0.00 58.87 56.23 2dn6 n SER 110 Cb 0.58 -2.65 -0.11 0.00 -0.75 0.00 0.00 64.21 61.27 2dn6 n SER 110 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn6 s GLY 111 N -3.48 0.72 0.77 0.46 0.00 -1.26 -5.15 107.32 99.37 2dn6 s GLY 111 Ca 0.62 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 2dn6 s GLY 111 CO 0.93 -1.02 1.09 2.56 0.00 0.00 0.00 173.10 176.67 2dn6 s PRO 112 N -2.02 2.26 -0.47 2.90 0.04 -1.26 -4.91 135.00 131.54 2dn6 s PRO 112 Ca -0.03 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 2dn6 s PRO 112 Cb -0.08 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2dn6 s PRO 112 CO 0.01 -1.64 1.99 -1.54 0.04 0.00 0.00 177.00 175.85 2dn6 s SER 113 N -3.37 5.28 0.26 6.66 1.04 -1.26 -4.90 113.70 117.42 2dn6 s SER 113 Ca 0.61 0.90 -0.21 0.00 0.48 0.00 0.00 55.95 57.74 2dn6 s SER 113 Cb -0.17 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.29 2dn6 s SER 113 CO 0.56 -2.26 0.24 -1.20 0.98 0.00 0.00 173.24 171.56 2dn6 n SER 114 N 12.64 -1.80 0.00 7.02 7.64 -1.26 -5.34 113.62 132.52 2dn6 n SER 114 Ca 0.25 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2dn6 n SER 114 Cb 0.51 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2dn6 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64