#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 1.42 -0.19 1.61 1.04 -1.26 -5.04 113.70 111.28 2dn6 s SER 2 Ca 0.00 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 2dn6 s SER 2 Cb 0.00 -0.44 -0.07 0.00 0.10 0.00 0.00 66.02 65.61 2dn6 s SER 2 CO 0.00 -0.16 -0.30 -1.20 0.98 0.00 0.00 173.24 172.56 2dn6 n SER 3 N 4.88 1.92 0.00 7.02 7.64 -1.26 -5.12 113.62 128.71 2dn6 n SER 3 Ca -0.12 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2dn6 n SER 3 Cb 0.50 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dn6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn6 n GLY 4 N 1.46 1.00 0.10 0.23 0.00 -1.26 -5.02 105.19 101.69 2dn6 n GLY 4 Ca -0.19 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 2dn6 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dn6 h SER 5 N 0.00 -0.15 -3.45 1.61 0.87 -1.99 -3.45 113.55 106.99 2dn6 h SER 5 Ca 0.00 0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2dn6 h SER 5 Cb 0.00 0.04 -0.37 0.00 -0.44 0.00 0.00 62.40 61.63 2dn6 h SER 5 CO 0.00 0.16 -0.81 -0.44 -0.53 0.00 0.00 176.83 175.22 2dn6 s SER 6 N -4.43 3.42 0.00 6.23 0.01 -1.26 -4.97 113.70 112.71 2dn6 s SER 6 Ca -0.03 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2dn6 s SER 6 Cb 0.00 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2dn6 s SER 6 CO 0.08 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2dn6 n GLY 7 N 4.69 4.70 2.32 3.44 0.00 -1.26 -5.10 105.19 113.98 2dn6 n GLY 7 Ca -0.14 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2dn6 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dn6 n VAL 8 N -1.82 0.31 -0.02 1.61 3.14 -1.26 -4.69 118.33 115.60 2dn6 n VAL 8 Ca 0.00 -0.08 -0.22 0.00 -2.96 0.00 0.00 64.34 61.09 2dn6 n VAL 8 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2dn6 n VAL 8 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dn6 h LEU 9 N 1.69 0.30 -8.65 6.55 3.38 -0.80 -3.48 115.31 114.30 2dn6 h LEU 9 Ca -0.30 -0.81 -0.40 0.00 0.09 0.00 0.00 57.88 56.45 2dn6 h LEU 9 Cb 0.96 -0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 2dn6 h LEU 9 CO 0.42 1.70 -0.75 -0.75 0.09 0.00 0.00 178.44 179.16 2dn6 s LYS 10 N -2.49 1.07 -0.26 1.13 2.20 -1.23 -5.02 119.74 115.14 2dn6 s LYS 10 Ca -0.23 -1.32 -0.17 0.00 -0.36 0.00 0.00 55.97 53.89 2dn6 s LYS 10 Cb 0.06 -0.88 0.07 0.00 -1.51 0.00 0.00 37.83 35.57 2dn6 s LYS 10 CO 0.72 0.16 0.64 1.14 -0.36 0.00 0.00 175.35 177.65 2dn6 s GLN 11 N -2.98 0.68 -0.06 4.03 -2.07 -1.26 -1.86 119.66 116.15 2dn6 s GLN 11 Ca 0.12 1.09 -0.31 0.00 -1.82 0.00 0.00 55.36 54.44 2dn6 s GLN 11 Cb -0.03 0.18 0.12 0.00 -1.09 0.00 0.00 33.01 32.19 2dn6 s GLN 11 CO 0.03 -0.14 1.35 0.20 -1.32 0.00 0.00 175.29 175.42 2dn6 s GLY 12 N 1.28 -0.36 -0.31 2.60 0.00 -1.21 -5.02 107.32 104.29 2dn6 s GLY 12 Ca -0.07 0.57 -0.22 0.00 0.00 0.00 0.00 44.72 44.99 2dn6 s GLY 12 CO -0.14 2.32 0.73 -0.19 0.00 0.00 0.00 173.10 175.81 2dn6 s TYR 13 N -2.14 3.20 0.06 1.90 2.02 -1.26 -2.38 117.35 118.75 2dn6 s TYR 13 Ca 0.20 0.70 0.06 0.00 -0.37 0.00 0.00 57.07 57.66 2dn6 s TYR 13 Cb 0.04 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 2dn6 s TYR 13 CO -0.04 -0.54 -0.17 -1.64 -1.57 0.00 0.00 175.55 171.59 2dn6 s MET 14 N 2.83 1.05 -0.43 -0.62 -1.94 -0.13 -4.89 119.30 115.17 2dn6 s MET 14 Ca 0.29 -0.92 -0.20 0.00 -1.71 0.00 0.00 55.69 53.16 2dn6 s MET 14 Cb -0.14 -1.14 0.02 0.00 2.01 0.00 0.00 34.83 35.58 2dn6 s MET 14 CO 0.13 0.28 0.61 -1.64 -0.01 0.00 0.00 175.02 174.38 2dn6 s MET 15 N -1.41 3.25 -0.06 2.03 1.00 -1.13 -1.17 119.30 121.80 2dn6 s MET 15 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 55.69 55.15 2dn6 s MET 15 Cb -0.09 -3.95 -0.05 0.00 0.00 0.00 0.00 34.83 30.74 2dn6 s MET 15 CO 0.02 -0.98 0.33 0.21 0.00 0.00 0.00 175.02 174.60 2dn6 s LYS 16 N 2.70 3.90 -0.83 2.03 2.20 -1.09 0.83 119.74 129.48 2dn6 s LYS 16 Ca 0.21 0.24 -0.25 0.00 -0.36 0.00 0.00 55.97 55.81 2dn6 s LYS 16 Cb -0.15 -3.26 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2dn6 s LYS 16 CO 0.18 0.60 1.31 0.21 -0.36 0.00 0.00 175.35 177.29 2dn6 s LYS 17 N -0.70 3.33 1.10 4.03 2.20 -0.23 -3.87 119.74 125.60 2dn6 s LYS 17 Ca 0.21 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 2dn6 s LYS 17 Cb -0.15 -4.59 0.25 0.00 -1.51 0.00 0.00 37.83 31.83 2dn6 s LYS 17 CO 0.10 -2.14 1.05 0.20 -0.36 0.00 0.00 175.35 174.20 2dn6 s GLY 18 N 4.14 1.56 -0.13 5.54 0.00 -1.26 -4.59 107.32 112.57 2dn6 s GLY 18 Ca 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.86 2dn6 s GLY 18 CO 0.06 0.48 2.97 1.57 0.00 0.00 0.00 173.10 178.18 2dn6 n HIS 19 N -4.64 0.49 -4.37 1.90 -0.00 -1.26 -4.84 115.22 102.50 2dn6 n HIS 19 Ca 0.04 -1.54 -0.20 0.00 0.46 0.00 0.00 57.72 56.48 2dn6 n HIS 19 Cb 0.55 -1.27 -0.09 0.00 -0.12 0.00 0.00 29.99 29.06 2dn6 n HIS 19 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2dn6 s ARG 20 N -0.05 1.64 0.28 1.57 3.00 -1.26 -5.11 118.95 119.02 2dn6 s ARG 20 Ca 0.48 -1.94 -0.23 0.00 0.00 0.00 0.00 55.73 54.05 2dn6 s ARG 20 Cb 0.26 -0.24 -0.15 0.00 0.00 0.00 0.00 34.95 34.82 2dn6 s ARG 20 CO -0.05 -0.43 0.28 -2.13 0.00 0.00 0.00 175.30 172.97 2dn6 n ARG 21 N -0.63 0.00 -1.17 3.54 0.63 -1.26 -4.49 116.66 113.28 2dn6 n ARG 21 Ca -0.00 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.41 2dn6 n ARG 21 Cb 0.65 -0.92 -0.09 0.00 0.45 0.00 0.00 32.46 32.54 2dn6 n ARG 21 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2dn6 n LYS 22 N 1.08 0.00 -3.60 -0.14 5.02 -1.26 -4.85 118.16 114.41 2dn6 n LYS 22 Ca 0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 2dn6 n LYS 22 Cb 0.30 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 3.99 -0.12 0.02 4.39 3.04 -1.26 -5.18 114.94 119.82 2dn6 s ASN 23 Ca 0.93 -0.06 0.04 0.00 0.04 0.00 0.00 52.86 53.81 2dn6 s ASN 23 Cb -1.22 0.17 -0.02 0.00 -1.54 0.00 0.00 41.25 38.64 2dn6 s ASN 23 CO 0.59 -0.29 -0.11 0.26 -3.04 0.00 0.00 177.10 174.50 2dn6 s TRP 24 N -2.48 1.00 -0.03 0.43 0.52 -1.26 -4.47 118.94 112.65 2dn6 s TRP 24 Ca 0.11 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2dn6 s TRP 24 Cb 0.01 -0.61 0.02 0.00 -1.15 0.00 0.00 33.47 31.74 2dn6 s TRP 24 CO -0.04 -0.00 -0.03 0.99 0.02 0.00 0.00 176.95 177.89 2dn6 s THR 25 N -0.66 0.35 -0.05 2.01 2.01 -1.25 -5.02 115.64 113.04 2dn6 s THR 25 Ca 0.01 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2dn6 s THR 25 Cb -0.06 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 2dn6 s THR 25 CO 0.00 0.16 1.18 -0.70 -0.69 0.00 0.00 174.62 174.58 2dn6 s GLU 26 N 0.68 4.37 0.11 4.92 2.12 -1.26 -2.67 118.70 126.98 2dn6 s GLU 26 Ca -0.08 1.65 -0.02 0.00 0.36 0.00 0.00 54.97 56.88 2dn6 s GLU 26 Cb -0.11 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2dn6 s GLU 26 CO -0.01 -0.41 0.06 1.03 -0.54 0.00 0.00 175.26 175.40 2dn6 s ARG 27 N 2.05 0.86 -0.03 4.30 0.52 -0.32 -4.95 118.95 121.38 2dn6 s ARG 27 Ca 0.55 -1.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 2dn6 s ARG 27 Cb -0.25 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.43 2dn6 s ARG 27 CO 0.23 -0.24 0.59 -0.46 0.02 0.00 0.00 175.30 175.44 2dn6 s TRP 28 N -4.00 3.64 -0.12 -0.53 -0.11 0.16 -0.96 118.94 117.03 2dn6 s TRP 28 Ca 0.18 1.15 0.03 0.00 1.22 0.00 0.00 56.10 58.68 2dn6 s TRP 28 Cb 0.07 -2.62 0.01 0.00 -1.50 0.00 0.00 33.47 29.43 2dn6 s TRP 28 CO -0.02 0.29 -0.21 -0.06 -4.62 0.00 0.00 176.95 172.33 2dn6 s PHE 29 N 0.08 2.42 -0.54 5.86 0.40 -1.00 0.61 117.98 125.82 2dn6 s PHE 29 Ca 0.31 -1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 55.48 2dn6 s PHE 29 Cb -0.18 -1.66 0.14 0.00 0.51 0.00 0.00 43.02 41.84 2dn6 s PHE 29 CO 0.16 -0.50 0.36 0.08 0.70 0.00 0.00 175.22 176.02 2dn6 s VAL 30 N 0.68 3.77 -0.09 -0.44 1.01 0.14 -3.34 120.40 122.13 2dn6 s VAL 30 Ca -0.11 -2.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 2dn6 s VAL 30 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2dn6 s VAL 30 CO 0.02 -0.81 1.50 -0.22 0.00 0.00 0.00 175.10 175.60 2dn6 s LEU 31 N 0.62 4.27 0.29 3.92 2.96 -0.78 -1.48 118.68 128.48 2dn6 s LEU 31 Ca 0.12 2.03 0.07 0.00 -0.22 0.00 0.00 54.13 56.13 2dn6 s LEU 31 Cb -0.22 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2dn6 s LEU 31 CO -0.04 -0.86 0.28 -0.54 -1.32 0.00 0.00 176.35 173.88 2dn6 s LYS 32 N 3.81 2.93 0.40 1.98 -0.14 0.85 -0.06 119.74 129.51 2dn6 s LYS 32 Ca 0.66 -1.11 0.19 0.00 -1.36 0.00 0.00 55.97 54.35 2dn6 s LYS 32 Cb -0.29 -2.60 0.82 0.00 -1.68 0.00 0.00 37.83 34.08 2dn6 s LYS 32 CO 0.24 0.25 1.81 -1.00 -0.76 0.00 0.00 175.35 175.89 2dn6 h PRO 33 N 1.30 0.00 0.00 -1.68 0.13 -1.94 -3.23 132.00 126.58 2dn6 h PRO 33 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2dn6 h PRO 33 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2dn6 h PRO 33 CO 0.59 0.33 -0.57 -1.71 -0.23 0.00 0.00 178.00 176.41 2dn6 n ASN 34 N -3.68 1.10 -4.00 1.44 5.15 -1.26 -4.83 115.26 109.19 2dn6 n ASN 34 Ca -0.01 -2.59 0.05 0.00 -0.60 0.00 0.00 54.58 51.43 2dn6 n ASN 34 Cb 0.44 -0.34 0.01 0.00 -0.53 0.00 0.00 39.78 39.36 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2dn6 s ILE 35 N -1.20 0.00 -0.25 -1.44 2.07 -1.22 -3.99 121.20 115.16 2dn6 s ILE 35 Ca 0.24 -0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.44 2dn6 s ILE 35 Cb 0.25 -2.96 0.12 0.00 0.13 0.00 0.00 42.46 40.00 2dn6 s ILE 35 CO -0.06 0.00 0.29 -0.63 -1.91 0.00 0.00 174.94 172.63 2dn6 s ILE 36 N -2.00 -0.43 0.40 2.00 1.01 -0.98 -0.10 121.20 121.09 2dn6 s ILE 36 Ca 0.32 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.74 2dn6 s ILE 36 Cb 0.00 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2dn6 s ILE 36 CO -0.03 -0.31 0.56 -0.55 0.00 0.00 0.00 174.94 174.61 2dn6 s SER 37 N 2.40 5.78 -0.23 3.58 0.15 -0.55 -1.15 113.70 123.68 2dn6 s SER 37 Ca 0.09 -0.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 2dn6 s SER 37 Cb -0.15 -1.03 0.11 0.00 -1.71 0.00 0.00 66.02 63.24 2dn6 s SER 37 CO -0.23 -0.65 0.46 -0.72 1.20 0.00 0.00 173.24 173.31 2dn6 s TYR 38 N -2.34 -0.94 0.14 3.44 1.13 -1.26 0.24 117.35 117.76 2dn6 s TYR 38 Ca 0.50 1.60 0.05 0.00 -1.41 0.00 0.00 57.07 57.81 2dn6 s TYR 38 Cb -0.10 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 2dn6 s TYR 38 CO 0.33 -0.56 0.07 0.71 -2.51 0.00 0.00 175.55 173.59 2dn6 s TYR 39 N 2.67 3.06 0.27 -3.49 1.51 0.20 -2.95 117.35 118.61 2dn6 s TYR 39 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 2dn6 s TYR 39 Cb -0.13 -1.51 0.60 0.00 -0.11 0.00 0.00 41.96 40.82 2dn6 s TYR 39 CO -0.15 0.51 1.71 0.28 -1.11 0.00 0.00 175.55 176.80 2dn6 h VAL 40 N 2.41 0.56 -2.94 0.71 2.07 -1.78 0.47 116.25 117.74 2dn6 h VAL 40 Ca -0.47 -0.15 -0.56 0.00 0.82 0.00 0.00 66.70 66.34 2dn6 h VAL 40 Cb 1.19 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 2dn6 h VAL 40 CO 0.62 0.08 -0.50 -0.55 0.02 0.00 0.00 177.57 177.24 2dn6 s SER 41 N -5.27 2.72 -0.12 0.57 0.15 -1.26 -3.35 113.70 107.15 2dn6 s SER 41 Ca -0.12 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.80 2dn6 s SER 41 Cb 0.23 0.58 0.14 0.00 -1.71 0.00 0.00 66.02 65.26 2dn6 s SER 41 CO 0.77 -0.99 1.49 -1.84 1.20 0.00 0.00 173.24 173.87 2dn6 n GLU 42 N -0.91 1.33 -0.03 5.44 0.28 -1.26 -3.60 120.64 121.90 2dn6 n GLU 42 Ca -0.04 -0.72 0.03 0.00 -0.16 0.00 0.00 57.16 56.27 2dn6 n GLU 42 Cb 0.64 -1.28 -0.12 0.00 1.43 0.00 0.00 31.44 32.11 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 0.40 1.55 -3.14 -1.84 9.92 -1.26 -5.02 116.55 117.16 2dn6 n ASP 43 Ca 0.14 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.21 2dn6 n ASP 43 Cb 0.69 1.43 0.07 0.00 -0.64 0.00 0.00 41.12 42.68 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dn6 n LEU 44 N -2.17 -3.37 -0.06 0.64 4.77 -1.24 -4.93 117.00 110.64 2dn6 n LEU 44 Ca -0.09 -0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 2dn6 n LEU 44 Cb 0.56 -2.71 -0.05 0.00 -2.33 0.00 0.00 43.42 38.90 2dn6 n LEU 44 CO 0.31 0.50 -0.91 0.29 -1.33 0.00 0.00 177.39 176.25 2dn6 n LYS 45 N -4.18 0.27 -3.50 3.23 4.76 -1.26 -4.87 118.16 112.61 2dn6 n LYS 45 Ca -0.07 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2dn6 n LYS 45 Cb 0.58 -1.04 -0.05 0.00 -1.84 0.00 0.00 35.03 32.68 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 -5.75 6.21 0.19 4.39 1.11 -1.26 -5.06 116.67 116.51 2dn6 s ASP 46 Ca -0.17 -2.98 -0.30 0.00 0.18 0.00 0.00 52.55 49.28 2dn6 s ASP 46 Cb 0.06 -2.05 -0.08 0.00 1.07 0.00 0.00 42.92 41.91 2dn6 s ASP 46 CO 0.23 -0.42 1.09 -0.75 1.18 0.00 0.00 175.17 176.51 2dn6 s LYS 47 N -0.27 4.61 -0.18 8.23 2.20 -1.26 -3.00 119.74 130.07 2dn6 s LYS 47 Ca 0.20 1.72 -0.18 0.00 -0.36 0.00 0.00 55.97 57.35 2dn6 s LYS 47 Cb -0.13 -3.26 -0.21 0.00 -1.51 0.00 0.00 37.83 32.71 2dn6 s LYS 47 CO -0.07 0.11 0.28 0.87 -0.36 0.00 0.00 175.35 176.18 2dn6 h LYS 48 N 4.88 0.08 0.00 4.03 1.79 -1.91 -3.49 116.57 121.94 2dn6 h LYS 48 Ca -0.45 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2dn6 h LYS 48 Cb 1.21 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2dn6 h LYS 48 CO 0.71 1.06 0.00 0.41 -1.08 0.00 0.00 179.45 180.56 2dn6 n GLY 49 N 1.58 2.17 3.63 3.86 0.00 -1.26 -5.10 105.19 110.07 2dn6 n GLY 49 Ca -0.31 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 2dn6 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dn6 s ASP 50 N 2.00 -0.79 -0.59 1.61 1.01 -1.26 -4.27 116.67 114.38 2dn6 s ASP 50 Ca 0.00 1.46 -0.08 0.00 0.71 0.00 0.00 52.55 54.64 2dn6 s ASP 50 Cb 0.00 1.44 0.15 0.00 1.01 0.00 0.00 42.92 45.53 2dn6 s ASP 50 CO 0.00 -0.25 0.46 -0.63 0.21 0.00 0.00 175.17 174.96 2dn6 s ILE 51 N 0.69 4.31 -0.21 0.77 1.01 -0.30 -4.99 121.20 122.47 2dn6 s ILE 51 Ca -0.02 -2.31 -0.31 0.00 0.00 0.00 0.00 60.65 58.01 2dn6 s ILE 51 Cb -0.05 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 2dn6 s ILE 51 CO -0.04 -0.86 2.15 0.18 0.00 0.00 0.00 174.94 176.37 2dn6 n LEU 52 N 4.26 3.11 -4.74 2.97 4.77 -1.26 -2.32 117.00 123.78 2dn6 n LEU 52 Ca 0.02 0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 2dn6 n LEU 52 Cb 0.41 -1.46 -0.05 0.00 -2.33 0.00 0.00 43.42 39.99 2dn6 n LEU 52 CO 0.38 -0.53 0.67 -0.76 -1.33 0.00 0.00 177.39 175.82 2dn6 s LEU 53 N 7.18 4.59 -0.08 2.23 1.43 -1.26 -4.91 118.68 127.86 2dn6 s LEU 53 Ca 1.01 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 2dn6 s LEU 53 Cb -0.51 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.17 2dn6 s LEU 53 CO 0.41 0.06 0.68 -0.62 0.23 0.00 0.00 176.35 177.11 2dn6 s ASP 54 N -0.77 -0.67 0.33 2.29 2.15 -1.26 -4.82 116.67 113.92 2dn6 s ASP 54 Ca 0.43 0.82 0.25 0.00 0.43 0.00 0.00 52.55 54.48 2dn6 s ASP 54 Cb -0.26 0.68 1.10 0.00 -0.30 0.00 0.00 42.92 44.14 2dn6 s ASP 54 CO 0.32 -0.55 1.13 -1.84 -0.17 0.00 0.00 175.17 174.06 2dn6 n GLU 55 N 1.20 -0.02 0.30 4.34 0.28 -1.26 0.11 120.64 125.59 2dn6 n GLU 55 Ca -0.18 0.90 -0.16 0.00 -0.16 0.00 0.00 57.16 57.56 2dn6 n GLU 55 Cb 0.57 -1.79 -0.08 0.00 1.43 0.00 0.00 31.44 31.56 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 -0.65 -3.48 -1.84 2.35 -1.95 -3.44 115.58 106.57 2dn6 h ASN 56 Ca 0.64 -0.04 -0.57 0.00 -0.55 0.00 0.00 56.30 55.78 2dn6 h ASN 56 Cb 2.12 0.17 0.16 0.00 0.05 0.00 0.00 38.32 40.81 2dn6 h ASN 56 CO -0.31 -0.34 0.14 0.00 -1.65 0.00 0.00 177.43 175.27 2dn6 s VAL 59 N -2.87 4.29 0.10 0.00 0.11 -1.26 0.07 120.40 120.85 2dn6 s VAL 59 Ca -0.01 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 2dn6 s VAL 59 Cb -0.01 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 2dn6 s VAL 59 CO -0.06 0.25 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.25 2dn6 s GLU 60 N -1.95 0.89 -0.15 1.54 2.02 0.41 -4.96 118.70 116.49 2dn6 s GLU 60 Ca 0.24 -1.20 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 2dn6 s GLU 60 Cb -0.12 -0.57 -0.05 0.00 0.10 0.00 0.00 34.13 33.49 2dn6 s GLU 60 CO 0.15 0.09 0.24 -1.54 0.02 0.00 0.00 175.26 174.22 2dn6 s SER 61 N -2.53 6.40 0.02 -0.19 1.04 -1.26 -1.11 113.70 116.07 2dn6 s SER 61 Ca 0.07 0.47 0.09 0.00 0.48 0.00 0.00 55.95 57.05 2dn6 s SER 61 Cb -0.02 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 2dn6 s SER 61 CO 0.00 0.17 -0.26 -0.76 0.98 0.00 0.00 173.24 173.38 2dn6 s LEU 62 N 0.15 2.16 0.00 2.42 1.43 0.99 -4.90 118.68 120.92 2dn6 s LEU 62 Ca 0.15 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2dn6 s LEU 62 Cb -0.13 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.78 2dn6 s LEU 62 CO 0.03 0.28 0.00 -0.81 0.23 0.00 0.00 176.35 176.08 2dn6 n PRO 63 N 1.99 -0.18 -3.17 1.29 -0.04 -1.26 -2.53 135.00 131.10 2dn6 n PRO 63 Ca -0.17 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.90 2dn6 n PRO 63 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 6.74 0.00 3.54 1.47 -1.26 -4.40 116.67 121.24 2dn6 s ASP 64 Ca 0.00 0.89 0.00 0.00 1.18 0.00 0.00 52.55 54.62 2dn6 s ASP 64 Cb 0.00 -2.34 0.00 0.00 -0.34 0.00 0.00 42.92 40.24 2dn6 s ASP 64 CO 0.00 -0.16 0.00 2.29 0.68 0.00 0.00 175.17 177.98 2dn6 n LYS 65 N 4.37 0.00 -2.68 2.11 2.85 -1.26 -4.85 118.16 118.70 2dn6 n LYS 65 Ca -0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 2dn6 n LYS 65 Cb 0.51 -0.58 -0.00 0.00 -0.65 0.00 0.00 35.03 34.30 2dn6 n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dn6 n ASP 66 N -2.73 5.95 -3.10 -5.58 8.00 -1.26 -4.82 116.55 113.01 2dn6 n ASP 66 Ca 0.00 -3.71 -0.22 0.00 0.71 0.00 0.00 54.79 51.57 2dn6 n ASP 66 Cb 0.42 -0.84 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dn6 n GLY 67 N -0.22 -0.48 2.51 0.44 0.00 -1.26 -5.00 105.19 101.18 2dn6 n GLY 67 Ca 0.40 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 2dn6 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dn6 n LYS 68 N -4.23 0.85 0.09 1.61 4.76 -1.26 -5.09 118.16 114.89 2dn6 n LYS 68 Ca -0.07 -2.13 0.00 0.00 -2.87 0.00 0.00 58.31 53.24 2dn6 n LYS 68 Cb 0.60 0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2dn6 n LYS 68 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dn6 n LYS 69 N -1.59 0.00 -3.80 1.97 4.01 -1.26 -4.58 118.16 112.91 2dn6 n LYS 69 Ca 0.05 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.52 2dn6 n LYS 69 Cb 0.40 -0.18 -0.11 0.00 -0.51 0.00 0.00 35.03 34.63 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 -0.58 4.21 -0.22 0.00 1.43 -1.05 -2.75 118.68 119.72 2dn6 s LEU 71 Ca 0.20 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 2dn6 s LEU 71 Cb -0.17 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.30 2dn6 s LEU 71 CO -0.06 0.13 0.55 0.72 0.23 0.00 0.00 176.35 177.92 2dn6 s PHE 72 N -1.57 -0.74 0.00 0.29 -0.12 -1.12 -0.01 117.98 114.71 2dn6 s PHE 72 Ca 0.34 1.61 0.06 0.00 -0.05 0.00 0.00 56.93 58.89 2dn6 s PHE 72 Cb -0.12 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 2dn6 s PHE 72 CO 0.27 -0.38 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.69 2dn6 s LEU 73 N 1.05 2.48 -0.19 -1.99 0.20 -0.27 -2.25 118.68 117.71 2dn6 s LEU 73 Ca -0.06 -0.38 -0.07 0.00 0.69 0.00 0.00 54.13 54.31 2dn6 s LEU 73 Cb -0.06 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 2dn6 s LEU 73 CO -0.10 0.30 0.05 -0.69 -0.29 0.00 0.00 176.35 175.62 2dn6 s VAL 74 N -0.79 4.63 0.09 1.68 1.01 0.20 -0.45 120.40 126.78 2dn6 s VAL 74 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2dn6 s VAL 74 Cb -0.10 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2dn6 s VAL 74 CO 0.02 0.45 0.07 -0.54 0.00 0.00 0.00 175.10 175.09 2dn6 s LYS 75 N 0.55 2.81 0.29 2.72 -0.14 0.11 -0.86 119.74 125.22 2dn6 s LYS 75 Ca 0.03 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2dn6 s LYS 75 Cb -0.13 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.32 2dn6 s LYS 75 CO 0.01 0.55 0.31 0.00 -0.76 0.00 0.00 175.35 175.46 2dn6 n PHE 77 N -0.49 0.00 -0.01 0.00 3.72 -1.26 -4.10 117.46 115.32 2dn6 n PHE 77 Ca 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.42 2dn6 n PHE 77 Cb 0.63 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 2dn6 n PHE 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2dn6 n ASP 78 N -1.74 4.45 -4.86 4.37 8.00 -1.26 -5.04 116.55 120.47 2dn6 n ASP 78 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 2dn6 n ASP 78 Cb 0.00 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 2dn6 n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2dn6 s LYS 79 N -2.06 3.82 -0.01 -1.24 -2.85 -1.26 -5.09 119.74 111.06 2dn6 s LYS 79 Ca -0.01 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 2dn6 s LYS 79 Cb 0.01 -2.22 0.01 0.00 -2.06 0.00 0.00 37.83 33.57 2dn6 s LYS 79 CO 0.09 -0.24 -0.00 0.95 0.10 0.00 0.00 175.35 176.25 2dn6 s THR 80 N -2.64 0.09 0.02 3.79 -4.23 -1.26 -1.91 115.64 109.50 2dn6 s THR 80 Ca 0.55 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 2dn6 s THR 80 Cb -0.10 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.59 2dn6 s THR 80 CO 0.35 0.06 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.95 2dn6 s PHE 81 N 0.34 1.63 -0.06 3.99 0.40 -0.04 -5.03 117.98 119.21 2dn6 s PHE 81 Ca -0.03 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2dn6 s PHE 81 Cb -0.05 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.49 2dn6 s PHE 81 CO -0.01 0.04 -0.16 -2.00 0.70 0.00 0.00 175.22 173.79 2dn6 s GLU 82 N -0.93 1.90 0.03 0.44 2.12 -1.26 0.59 118.70 121.59 2dn6 s GLU 82 Ca 0.06 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.84 2dn6 s GLU 82 Cb -0.08 -1.58 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 2dn6 s GLU 82 CO 0.01 0.16 -0.07 0.42 -0.54 0.00 0.00 175.26 175.24 2dn6 s ILE 83 N 0.28 0.47 0.12 -3.70 1.01 -0.96 -1.06 121.20 117.37 2dn6 s ILE 83 Ca -0.09 -0.92 0.11 0.00 0.00 0.00 0.00 60.65 59.75 2dn6 s ILE 83 Cb -0.14 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 2dn6 s ILE 83 CO 0.04 -0.31 -0.27 -0.55 0.00 0.00 0.00 174.94 173.84 2dn6 s SER 84 N -1.33 3.29 0.23 3.58 0.15 0.24 -2.78 113.70 117.09 2dn6 s SER 84 Ca -0.09 -0.74 0.12 0.00 0.70 0.00 0.00 55.95 55.94 2dn6 s SER 84 Cb -0.09 -0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 63.95 2dn6 s SER 84 CO 0.00 0.18 -0.22 0.00 1.20 0.00 0.00 173.24 174.41 2dn6 s ALA 85 N -1.04 2.63 -0.24 5.45 0.00 -1.11 -2.86 121.76 124.59 2dn6 s ALA 85 Ca 0.14 -1.73 -0.14 0.00 0.00 0.00 0.00 51.96 50.22 2dn6 s ALA 85 Cb -0.10 -0.31 -0.16 0.00 0.00 0.00 0.00 23.12 22.55 2dn6 s ALA 85 CO 0.06 0.37 -0.10 0.45 0.00 0.00 0.00 175.76 176.53 2dn6 n SER 86 N -0.10 1.94 -4.63 0.00 2.88 -1.26 -4.44 113.62 108.01 2dn6 n SER 86 Ca -0.09 0.30 -0.34 0.00 -1.33 0.00 0.00 58.87 57.40 2dn6 n SER 86 Cb 0.58 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 63.11 2dn6 n SER 86 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dn6 s ASP 87 N -7.15 4.98 0.28 -3.46 1.01 -1.26 -4.84 116.67 106.24 2dn6 s ASP 87 Ca -0.34 0.06 0.01 0.00 0.71 0.00 0.00 52.55 52.99 2dn6 s ASP 87 Cb 0.11 -1.39 0.68 0.00 1.01 0.00 0.00 42.92 43.33 2dn6 s ASP 87 CO 0.56 0.35 1.65 0.11 0.21 0.00 0.00 175.17 178.05 2dn6 h LYS 88 N 5.34 0.21 -0.47 8.23 1.57 -1.95 -0.51 116.57 128.99 2dn6 h LYS 88 Ca -0.48 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 2dn6 h LYS 88 Cb 1.18 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.35 2dn6 h LYS 88 CO 0.54 0.14 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.95 2dn6 h LYS 89 N 0.22 -0.25 0.21 3.15 3.64 -1.99 -0.83 116.57 120.72 2dn6 h LYS 89 Ca 0.54 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2dn6 h LYS 89 Cb 1.06 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2dn6 h LYS 89 CO -0.64 -0.17 -0.42 0.87 -2.27 0.00 0.00 179.45 176.82 2dn6 h LYS 90 N -0.26 -0.66 -0.14 1.90 6.56 -1.51 0.14 116.57 122.59 2dn6 h LYS 90 Ca 0.17 0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2dn6 h LYS 90 Cb 0.57 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 2dn6 h LYS 90 CO -0.61 -0.44 -0.12 -0.22 -2.06 0.00 0.00 179.45 176.00 2dn6 h LYS 91 N -0.69 -0.04 -0.02 3.15 3.11 -1.22 0.42 116.57 121.27 2dn6 h LYS 91 Ca -0.02 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2dn6 h LYS 91 Cb 0.65 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 2dn6 h LYS 91 CO -0.17 -0.03 -0.12 0.37 -2.81 0.00 0.00 179.45 176.69 2dn6 h GLN 92 N -0.04 -0.13 -0.79 1.90 4.15 -1.10 -0.13 115.11 118.95 2dn6 h GLN 92 Ca 0.02 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.52 2dn6 h GLN 92 Cb 0.11 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.73 2dn6 h GLN 92 CO -0.16 -0.09 -0.47 0.39 -1.93 0.00 0.00 178.83 176.58 2dn6 n GLU 93 N -3.20 -0.35 -0.08 1.69 1.02 0.48 -0.06 120.64 120.13 2dn6 n GLU 93 Ca -0.01 1.40 -0.09 0.00 -0.02 0.00 0.00 57.16 58.43 2dn6 n GLU 93 Cb 0.09 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 29.37 2dn6 n GLU 93 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2dn6 h TRP 94 N 0.00 -1.14 -0.96 -0.32 4.06 0.07 0.27 115.95 117.93 2dn6 h TRP 94 Ca 0.13 0.05 0.23 0.00 2.06 0.00 0.00 58.89 61.36 2dn6 h TRP 94 Cb 0.33 0.53 -0.12 0.00 -1.00 0.00 0.00 29.16 28.89 2dn6 h TRP 94 CO -1.01 -0.34 0.52 0.82 -3.56 0.00 0.00 178.44 174.87 2dn6 h ILE 95 N -0.29 0.53 -0.02 1.49 2.04 0.06 0.15 117.51 121.48 2dn6 h ILE 95 Ca 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2dn6 h ILE 95 Cb 0.41 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2dn6 h ILE 95 CO -0.38 0.10 0.01 1.56 0.00 0.00 0.00 178.15 179.43 2dn6 h GLN 96 N 0.52 0.02 0.15 2.37 4.20 0.15 0.37 115.11 122.91 2dn6 h GLN 96 Ca 0.60 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.30 2dn6 h GLN 96 Cb 1.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2dn6 h GLN 96 CO -0.49 0.19 -0.07 0.00 -0.67 0.00 0.00 178.83 177.79 2dn6 h ALA 97 N 0.83 -0.20 0.62 3.87 0.00 0.11 -1.22 119.26 123.28 2dn6 h ALA 97 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2dn6 h ALA 97 Cb 0.18 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dn6 h ALA 97 CO -0.00 -0.60 -0.39 0.82 0.00 0.00 0.00 179.25 179.07 2dn6 h ILE 98 N -0.23 0.20 -0.31 0.00 2.04 -0.77 0.24 117.51 118.69 2dn6 h ILE 98 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2dn6 h ILE 98 Cb 0.18 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 2dn6 h ILE 98 CO 0.03 0.00 -0.41 -0.74 0.00 0.00 0.00 178.15 177.03 2dn6 h HIS 99 N -0.96 -1.19 -0.44 1.37 2.76 -0.91 -0.94 115.15 114.82 2dn6 h HIS 99 Ca -0.08 0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 2dn6 h HIS 99 Cb 0.78 0.56 -0.04 0.00 1.55 0.00 0.00 27.41 30.27 2dn6 h HIS 99 CO -0.11 -0.44 0.23 0.77 -1.30 0.00 0.00 177.93 177.08 2dn6 h SER 100 N -0.37 0.34 -0.78 3.26 0.02 -1.14 -1.32 113.55 113.55 2dn6 h SER 100 Ca 0.12 0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.29 2dn6 h SER 100 Cb 0.59 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2dn6 h SER 100 CO -0.51 0.24 0.54 0.74 -1.14 0.00 0.00 176.83 176.71 2dn6 h THR 101 N 0.46 0.67 0.04 -2.27 2.02 0.55 -0.38 112.91 114.01 2dn6 h THR 101 Ca 0.19 -0.06 -0.25 0.00 0.77 0.00 0.00 66.41 67.06 2dn6 h THR 101 Cb 0.08 0.47 0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2dn6 h THR 101 CO -0.13 0.03 -0.98 0.40 0.37 0.00 0.00 175.52 175.21 2dn6 h ILE 102 N 0.18 1.33 -0.95 3.11 2.04 -0.10 -3.28 117.51 119.85 2dn6 h ILE 102 Ca 0.39 -2.28 0.20 0.00 1.00 0.00 0.00 64.86 64.16 2dn6 h ILE 102 Cb 1.24 2.57 -0.11 0.00 -0.74 0.00 0.00 36.82 39.78 2dn6 h ILE 102 CO -0.07 0.69 0.53 -0.74 0.00 0.00 0.00 178.15 178.55 2dn6 h HIS 103 N 0.20 0.91 -0.33 1.37 2.76 -0.43 0.38 115.15 120.01 2dn6 h HIS 103 Ca -0.14 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2dn6 h HIS 103 Cb 1.67 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.35 2dn6 h HIS 103 CO 0.12 0.13 0.23 -0.07 -1.30 0.00 0.00 177.93 177.03 2dn6 h LEU 104 N 0.62 0.16 -0.27 0.26 3.38 -1.56 0.89 115.31 118.80 2dn6 h LEU 104 Ca 0.57 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 2dn6 h LEU 104 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dn6 h LEU 104 CO -0.43 0.11 -0.11 -0.07 0.09 0.00 0.00 178.44 178.03 2dn6 h LEU 105 N 0.19 0.00 -0.46 1.67 3.38 -0.37 -3.22 115.31 116.50 2dn6 h LEU 105 Ca 0.15 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2dn6 h LEU 105 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dn6 h LEU 105 CO -0.02 0.11 -0.53 0.11 0.09 0.00 0.00 178.44 178.19 2dn6 h LYS 106 N 0.00 0.68 -0.36 1.13 1.57 -0.40 -3.21 116.57 115.98 2dn6 h LYS 106 Ca -0.00 -0.42 0.06 0.00 -1.87 0.00 0.00 60.65 58.42 2dn6 h LYS 106 Cb 0.99 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2dn6 h LYS 106 CO 0.01 1.03 0.05 -0.07 -0.57 0.00 0.00 179.45 179.91 2dn6 h LEU 107 N 0.52 -0.04 -8.20 2.94 -0.00 -1.52 -3.35 115.31 105.66 2dn6 h LEU 107 Ca 0.02 0.07 -0.65 0.00 -0.00 0.00 0.00 57.88 57.31 2dn6 h LEU 107 Cb 1.09 0.10 -0.16 0.00 -0.00 0.00 0.00 40.66 41.69 2dn6 h LEU 107 CO 0.11 0.02 0.45 -0.83 -0.00 0.00 0.00 178.44 178.19 2dn6 s GLY 108 N -2.80 1.53 -0.11 0.83 0.00 -1.21 -5.02 107.32 100.53 2dn6 s GLY 108 Ca -0.13 -2.03 -0.06 0.00 0.00 0.00 0.00 44.72 42.50 2dn6 s GLY 108 CO 0.71 1.93 0.12 -0.56 0.00 0.00 0.00 173.10 175.30 2dn6 s SER 109 N 3.66 6.19 -0.29 1.64 0.01 -1.26 -4.94 113.70 118.71 2dn6 s SER 109 Ca 0.20 0.40 -0.22 0.00 1.31 0.00 0.00 55.95 57.65 2dn6 s SER 109 Cb -0.18 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2dn6 s SER 109 CO 0.07 0.39 0.71 -0.44 0.41 0.00 0.00 173.24 174.39 2dn6 s SER 110 N -1.07 6.61 0.00 2.44 0.01 -1.26 -4.96 113.70 115.46 2dn6 s SER 110 Ca 0.16 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2dn6 s SER 110 Cb -0.12 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2dn6 s SER 110 CO 0.05 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2dn6 n GLY 111 N 4.22 2.65 3.76 3.44 0.00 -1.26 -5.15 105.19 112.86 2dn6 n GLY 111 Ca 0.02 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 4.44 -0.03 1.61 0.04 -1.26 -5.04 135.00 134.76 2dn6 s PRO 112 Ca 0.00 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2dn6 s PRO 112 Cb 0.00 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.41 2dn6 s PRO 112 CO 0.00 -0.10 0.16 -1.12 0.04 0.00 0.00 177.00 175.98 2dn6 s SER 113 N -0.33 -0.08 0.24 6.66 0.01 -1.26 -5.05 113.70 113.90 2dn6 s SER 113 Ca 0.50 0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.79 2dn6 s SER 113 Cb -0.37 0.28 0.47 0.00 0.21 0.00 0.00 66.02 66.61 2dn6 s SER 113 CO 0.45 -0.22 1.70 0.77 0.41 0.00 0.00 173.24 176.35 2dn6 h SER 114 N 5.06 0.09 0.00 2.44 4.64 -2.10 -3.57 113.55 120.11 2dn6 h SER 114 Ca -0.28 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dn6 h SER 114 Cb 1.20 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2dn6 h SER 114 CO 0.40 -0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.97