#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 6.97 0.00 1.61 1.04 -1.26 -4.89 113.70 117.18 2dn6 s SER 2 Ca 0.00 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.65 2dn6 s SER 2 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2dn6 s SER 2 CO 0.00 -0.51 0.00 -1.54 0.98 0.00 0.00 173.24 172.17 2dn6 n SER 3 N 3.37 3.24 -3.03 7.02 3.41 -1.26 -4.82 113.62 121.56 2dn6 n SER 3 Ca 0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 2dn6 n SER 3 Cb 0.44 0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 2dn6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn6 n GLY 4 N 2.01 5.47 0.17 5.00 0.00 -1.26 -4.30 105.19 112.29 2dn6 n GLY 4 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 46.02 43.62 2dn6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn6 n SER 5 N -0.16 2.21 -2.20 1.61 2.88 -1.26 -4.63 113.62 112.08 2dn6 n SER 5 Ca 0.52 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.85 2dn6 n SER 5 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 2dn6 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dn6 n SER 6 N -2.21 6.36 0.00 -3.46 3.41 -1.26 -4.93 113.62 111.52 2dn6 n SER 6 Ca 0.00 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 2dn6 n SER 6 Cb 0.31 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2dn6 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn6 n GLY 7 N 0.81 0.09 2.59 5.00 0.00 -1.26 -5.05 105.19 107.36 2dn6 n GLY 7 Ca 0.40 -1.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 0.00 0.02 1.61 0.31 -1.26 -4.74 118.33 114.28 2dn6 n VAL 8 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2dn6 n VAL 8 Cb 0.00 -0.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.60 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 3.36 -0.14 -8.71 7.52 3.38 -1.51 -3.37 115.31 115.83 2dn6 h LEU 9 Ca -0.31 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.18 2dn6 h LEU 9 Cb 0.95 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.55 2dn6 h LEU 9 CO 0.66 0.32 -0.78 -0.75 0.09 0.00 0.00 178.44 177.98 2dn6 s LYS 10 N -2.07 1.15 -0.26 1.13 2.20 -1.07 -4.02 119.74 116.80 2dn6 s LYS 10 Ca -0.02 -1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 54.09 2dn6 s LYS 10 Cb 0.00 -1.18 0.07 0.00 -1.51 0.00 0.00 37.83 35.21 2dn6 s LYS 10 CO 0.07 0.24 0.66 1.14 -0.36 0.00 0.00 175.35 177.11 2dn6 s GLN 11 N -2.57 0.73 -0.06 4.03 -2.07 -1.26 -1.03 119.66 117.44 2dn6 s GLN 11 Ca 0.11 1.03 -0.32 0.00 -1.82 0.00 0.00 55.36 54.37 2dn6 s GLN 11 Cb -0.06 0.27 0.13 0.00 -1.09 0.00 0.00 33.01 32.26 2dn6 s GLN 11 CO 0.05 -0.12 1.31 0.20 -1.32 0.00 0.00 175.29 175.41 2dn6 s GLY 12 N 0.87 -0.41 -0.65 2.60 0.00 -1.18 -5.00 107.32 103.55 2dn6 s GLY 12 Ca -0.04 0.87 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 2dn6 s GLY 12 CO -0.07 0.19 1.07 -0.19 0.00 0.00 0.00 173.10 174.10 2dn6 s TYR 13 N -2.35 2.58 0.29 1.90 2.02 -1.26 -2.05 117.35 118.48 2dn6 s TYR 13 Ca 0.14 -0.21 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2dn6 s TYR 13 Cb 0.05 -4.36 -0.04 0.00 -0.40 0.00 0.00 41.96 37.20 2dn6 s TYR 13 CO -0.04 -1.71 0.12 -1.64 -1.57 0.00 0.00 175.55 170.70 2dn6 s MET 14 N 4.61 2.51 -0.33 -0.62 -1.94 -0.77 -4.86 119.30 117.90 2dn6 s MET 14 Ca 0.29 -1.36 -0.06 0.00 -1.71 0.00 0.00 55.69 52.85 2dn6 s MET 14 Cb -0.13 -2.29 0.04 0.00 2.01 0.00 0.00 34.83 34.46 2dn6 s MET 14 CO 0.15 0.27 0.10 -1.64 -0.01 0.00 0.00 175.02 173.88 2dn6 s MET 15 N -3.80 2.68 0.04 2.03 -1.94 -0.97 -0.03 119.30 117.31 2dn6 s MET 15 Ca 0.35 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2dn6 s MET 15 Cb -0.06 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 2dn6 s MET 15 CO 0.23 -0.63 0.11 0.21 -0.01 0.00 0.00 175.02 174.92 2dn6 s LYS 16 N 1.41 3.08 -0.41 2.03 2.20 -1.15 0.10 119.74 127.00 2dn6 s LYS 16 Ca -0.01 -0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 2dn6 s LYS 16 Cb -0.19 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2dn6 s LYS 16 CO 0.03 0.61 0.29 0.21 -0.36 0.00 0.00 175.35 176.13 2dn6 s LYS 17 N -2.11 2.95 0.00 4.03 2.20 0.40 -2.64 119.74 124.57 2dn6 s LYS 17 Ca 0.27 -1.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2dn6 s LYS 17 Cb -0.12 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2dn6 s LYS 17 CO 0.19 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 2dn6 n GLY 18 N 5.14 -0.35 3.26 5.54 0.00 -1.26 -4.55 105.19 112.97 2dn6 n GLY 18 Ca -0.11 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.35 2dn6 n GLY 18 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dn6 n HIS 19 N -1.21 0.76 -0.33 1.61 8.25 -1.26 -4.76 115.22 118.28 2dn6 n HIS 19 Ca 0.00 0.99 0.12 0.00 -0.26 0.00 0.00 57.72 58.57 2dn6 n HIS 19 Cb 0.00 -1.95 0.25 0.00 1.12 0.00 0.00 29.99 29.42 2dn6 n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2dn6 h ARG 20 N 3.06 0.03 -7.02 -0.41 9.65 -1.96 -3.40 114.38 114.34 2dn6 h ARG 20 Ca -0.46 -0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 57.88 2dn6 h ARG 20 Cb 1.31 -0.01 0.12 0.00 -1.39 0.00 0.00 29.97 30.00 2dn6 h ARG 20 CO 0.65 0.02 0.64 0.50 2.80 0.00 0.00 179.97 184.58 2dn6 s ARG 21 N -6.05 3.44 -0.57 0.20 3.52 -1.26 -4.82 118.95 113.41 2dn6 s ARG 21 Ca -0.13 2.28 -0.27 0.00 -0.13 0.00 0.00 55.73 57.48 2dn6 s ARG 21 Cb 0.28 -2.45 -0.10 0.00 -1.56 0.00 0.00 34.95 31.12 2dn6 s ARG 21 CO 0.77 -0.97 2.46 1.17 -0.81 0.00 0.00 175.30 177.92 2dn6 n LYS 22 N -0.60 0.89 -3.61 5.12 3.00 -1.26 -4.86 118.16 116.84 2dn6 n LYS 22 Ca 0.08 0.02 -0.02 0.00 -0.00 0.00 0.00 58.31 58.39 2dn6 n LYS 22 Cb 0.44 -3.07 -0.05 0.00 0.00 0.00 0.00 35.03 32.35 2dn6 n LYS 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dn6 s ASN 23 N 11.40 -0.94 -0.00 3.14 -0.87 -1.26 -5.15 114.94 121.25 2dn6 s ASN 23 Ca 1.05 1.36 -0.00 0.00 -1.57 0.00 0.00 52.86 53.71 2dn6 s ASN 23 Cb -0.39 1.86 -0.04 0.00 -0.02 0.00 0.00 41.25 42.65 2dn6 s ASN 23 CO 0.31 -0.20 0.07 0.26 -2.57 0.00 0.00 177.10 174.97 2dn6 s TRP 24 N 2.34 3.25 -0.04 2.20 0.52 -1.26 -4.12 118.94 121.83 2dn6 s TRP 24 Ca -0.07 0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 2dn6 s TRP 24 Cb -0.08 -1.73 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2dn6 s TRP 24 CO -0.19 0.54 0.04 0.95 0.02 0.00 0.00 176.95 178.31 2dn6 s THR 25 N -1.18 0.02 0.50 2.01 -4.23 -1.08 -4.99 115.64 106.70 2dn6 s THR 25 Ca 0.22 0.29 -0.23 0.00 -1.18 0.00 0.00 61.69 60.79 2dn6 s THR 25 Cb -0.12 -0.22 -0.07 0.00 1.34 0.00 0.00 72.50 73.44 2dn6 s THR 25 CO 0.13 0.17 1.38 1.21 -0.54 0.00 0.00 174.62 176.97 2dn6 n GLU 26 N 4.89 1.91 -3.61 3.99 0.00 -1.26 -2.92 120.64 123.64 2dn6 n GLU 26 Ca -0.12 0.69 -0.12 0.00 0.00 0.00 0.00 57.16 57.61 2dn6 n GLU 26 Cb 0.50 -2.58 -0.06 0.00 0.00 0.00 0.00 31.44 29.30 2dn6 n GLU 26 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2dn6 s ARG 27 N -2.68 0.68 0.22 5.31 0.52 0.96 -4.93 118.95 119.03 2dn6 s ARG 27 Ca 0.67 0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 56.13 2dn6 s ARG 27 Cb -0.43 0.33 -0.09 0.00 0.52 0.00 0.00 34.95 35.28 2dn6 s ARG 27 CO 0.53 -0.14 1.24 -0.46 0.02 0.00 0.00 175.30 176.49 2dn6 s TRP 28 N -0.22 3.34 0.11 -0.53 -0.11 0.20 -1.84 118.94 119.88 2dn6 s TRP 28 Ca -0.01 1.38 0.10 0.00 1.22 0.00 0.00 56.10 58.80 2dn6 s TRP 28 Cb -0.03 -3.50 -0.04 0.00 -1.50 0.00 0.00 33.47 28.40 2dn6 s TRP 28 CO -0.00 -1.45 -0.26 -0.06 -4.62 0.00 0.00 176.95 170.56 2dn6 s PHE 29 N -0.25 2.20 -0.30 5.86 0.40 -0.87 -0.05 117.98 124.97 2dn6 s PHE 29 Ca 0.53 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2dn6 s PHE 29 Cb -0.35 -1.22 0.10 0.00 0.51 0.00 0.00 43.02 42.06 2dn6 s PHE 29 CO 0.40 0.27 0.08 0.08 0.70 0.00 0.00 175.22 176.75 2dn6 s VAL 30 N -1.03 0.94 -0.71 -0.44 1.01 0.59 -3.12 120.40 117.65 2dn6 s VAL 30 Ca 0.12 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.46 2dn6 s VAL 30 Cb -0.10 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.64 2dn6 s VAL 30 CO 0.05 -0.62 1.22 -0.22 0.00 0.00 0.00 175.10 175.53 2dn6 s LEU 31 N 1.59 3.38 0.51 3.92 2.96 -0.20 -1.24 118.68 129.60 2dn6 s LEU 31 Ca 0.08 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2dn6 s LEU 31 Cb -0.17 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2dn6 s LEU 31 CO -0.22 -1.73 0.80 -0.54 -1.32 0.00 0.00 176.35 173.33 2dn6 s LYS 32 N 5.38 3.30 0.49 1.98 -0.14 0.15 -1.47 119.74 129.44 2dn6 s LYS 32 Ca 0.34 0.05 0.28 0.00 -1.36 0.00 0.00 55.97 55.27 2dn6 s LYS 32 Cb -0.09 -2.37 1.17 0.00 -1.68 0.00 0.00 37.83 34.85 2dn6 s LYS 32 CO 0.16 -0.35 1.92 -1.00 -0.76 0.00 0.00 175.35 175.32 2dn6 h PRO 33 N 0.14 0.00 0.00 -1.68 0.13 -1.95 -3.21 132.00 125.43 2dn6 h PRO 33 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2dn6 h PRO 33 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2dn6 h PRO 33 CO 0.61 0.14 -0.58 0.09 -0.23 0.00 0.00 178.00 178.02 2dn6 n ASN 34 N -3.34 0.81 0.00 1.44 4.13 -1.26 -4.82 115.26 112.23 2dn6 n ASN 34 Ca -0.00 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 53.91 2dn6 n ASN 34 Cb 0.35 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 2dn6 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dn6 n ILE 35 N -0.18 0.00 -3.36 2.41 3.06 -1.21 -4.16 119.36 115.92 2dn6 n ILE 35 Ca 0.06 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.20 2dn6 n ILE 35 Cb 0.82 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.92 2dn6 n ILE 35 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2dn6 s ILE 36 N -2.00 -0.56 0.03 9.51 1.01 -1.04 0.34 121.20 128.49 2dn6 s ILE 36 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2dn6 s ILE 36 Cb 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2dn6 s ILE 36 CO 0.00 -0.24 -0.13 -0.44 0.00 0.00 0.00 174.94 174.13 2dn6 s SER 37 N 2.49 4.18 -0.10 3.58 0.01 -0.37 -1.40 113.70 122.09 2dn6 s SER 37 Ca 0.11 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2dn6 s SER 37 Cb -0.14 -0.83 0.02 0.00 0.21 0.00 0.00 66.02 65.28 2dn6 s SER 37 CO -0.23 0.27 -0.10 -0.72 0.41 0.00 0.00 173.24 172.86 2dn6 s TYR 38 N -0.96 1.61 0.12 2.43 1.13 -1.26 0.22 117.35 120.63 2dn6 s TYR 38 Ca 0.16 -0.77 0.02 0.00 -1.41 0.00 0.00 57.07 55.07 2dn6 s TYR 38 Cb -0.11 -1.25 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2dn6 s TYR 38 CO 0.06 -0.47 0.24 0.71 -2.51 0.00 0.00 175.55 173.59 2dn6 s TYR 39 N 1.33 3.47 0.34 -3.49 1.51 0.93 -3.04 117.35 118.40 2dn6 s TYR 39 Ca -0.01 0.15 0.13 0.00 -1.01 0.00 0.00 57.07 56.33 2dn6 s TYR 39 Cb -0.14 -1.69 1.05 0.00 -0.11 0.00 0.00 41.96 41.08 2dn6 s TYR 39 CO -0.05 0.54 1.63 0.28 -1.11 0.00 0.00 175.55 176.85 2dn6 h VAL 40 N 1.85 0.21 -3.73 0.71 2.07 -1.74 0.59 116.25 116.20 2dn6 h VAL 40 Ca -0.47 -0.07 -0.29 0.00 0.82 0.00 0.00 66.70 66.69 2dn6 h VAL 40 Cb 1.18 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2dn6 h VAL 40 CO 0.71 0.04 -0.28 -1.20 0.02 0.00 0.00 177.57 176.86 2dn6 n SER 41 N -5.17 -0.46 -1.41 0.57 7.64 -1.26 -3.35 113.62 110.17 2dn6 n SER 41 Ca 0.31 -2.34 -0.05 0.00 1.01 0.00 0.00 58.87 57.79 2dn6 n SER 41 Cb 0.98 1.07 0.03 0.00 -1.01 0.00 0.00 64.21 65.27 2dn6 n SER 41 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2dn6 n GLU 42 N -0.39 1.27 -0.05 1.43 0.28 -1.26 -3.61 120.64 118.31 2dn6 n GLU 42 Ca 0.05 -0.59 -0.01 0.00 -0.16 0.00 0.00 57.16 56.44 2dn6 n GLU 42 Cb 0.37 -1.23 -0.12 0.00 1.43 0.00 0.00 31.44 31.89 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 0.55 1.20 -3.03 -1.84 5.68 -1.26 -5.02 116.55 112.83 2dn6 n ASP 43 Ca 0.11 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.22 2dn6 n ASP 43 Cb 0.64 1.22 0.07 0.00 -1.14 0.00 0.00 41.12 41.90 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 -2.38 -3.25 -0.05 -2.12 4.77 -1.24 -4.93 117.00 107.81 2dn6 n LEU 44 Ca -0.17 -0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 2dn6 n LEU 44 Cb 0.78 -2.60 -0.04 0.00 -2.33 0.00 0.00 43.42 39.24 2dn6 n LEU 44 CO 0.34 0.50 -0.83 0.29 -1.33 0.00 0.00 177.39 176.36 2dn6 n LYS 45 N -4.09 0.23 -3.59 3.23 4.76 -1.26 -4.89 118.16 112.54 2dn6 n LYS 45 Ca -0.04 0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 55.08 2dn6 n LYS 45 Cb 0.57 -1.05 -0.08 0.00 -1.84 0.00 0.00 35.03 32.63 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 -5.34 5.70 0.37 4.39 1.01 -1.26 -5.07 116.67 116.47 2dn6 s ASP 46 Ca -0.13 -2.62 -0.25 0.00 0.71 0.00 0.00 52.55 50.25 2dn6 s ASP 46 Cb 0.04 -1.97 -0.09 0.00 1.01 0.00 0.00 42.92 41.91 2dn6 s ASP 46 CO 0.20 -0.48 1.05 -0.75 0.21 0.00 0.00 175.17 175.41 2dn6 s LYS 47 N 0.28 4.29 -0.25 8.23 2.20 -1.26 -2.53 119.74 130.70 2dn6 s LYS 47 Ca 0.15 1.57 -0.06 0.00 -0.36 0.00 0.00 55.97 57.27 2dn6 s LYS 47 Cb -0.19 -2.70 -0.16 0.00 -1.51 0.00 0.00 37.83 33.27 2dn6 s LYS 47 CO -0.04 -0.04 -0.20 1.63 -0.36 0.00 0.00 175.35 176.33 2dn6 n LYS 48 N 0.24 0.63 0.00 4.03 4.76 -1.17 -4.94 118.16 121.72 2dn6 n LYS 48 Ca 0.03 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2dn6 n LYS 48 Cb 0.49 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.83 1.61 3.40 0.72 0.00 -1.26 -5.09 105.19 106.41 2dn6 n GLY 49 Ca -0.47 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 2.00 -0.58 -0.43 1.61 1.47 -1.26 -4.25 116.67 115.22 2dn6 s ASP 50 Ca 0.00 1.05 -0.08 0.00 1.18 0.00 0.00 52.55 54.70 2dn6 s ASP 50 Cb 0.00 1.00 0.10 0.00 -0.34 0.00 0.00 42.92 43.68 2dn6 s ASP 50 CO 0.00 -0.19 0.27 -0.63 0.68 0.00 0.00 175.17 175.30 2dn6 s ILE 51 N 0.82 4.06 -0.40 2.11 1.01 -0.49 -4.98 121.20 123.33 2dn6 s ILE 51 Ca -0.04 -1.62 -0.27 0.00 0.00 0.00 0.00 60.65 58.72 2dn6 s ILE 51 Cb -0.05 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2dn6 s ILE 51 CO -0.06 -0.61 2.28 -0.76 0.00 0.00 0.00 174.94 175.78 2dn6 s LEU 52 N 1.36 3.41 0.29 2.97 1.43 -1.26 -2.50 118.68 124.38 2dn6 s LEU 52 Ca 0.04 1.33 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 2dn6 s LEU 52 Cb -0.24 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 2dn6 s LEU 52 CO 0.00 -2.47 1.22 -0.76 0.23 0.00 0.00 176.35 174.57 2dn6 s LEU 53 N 10.38 4.47 -0.14 1.79 1.43 -1.26 -4.93 118.68 130.43 2dn6 s LEU 53 Ca 0.96 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 56.24 2dn6 s LEU 53 Cb -0.23 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.44 2dn6 s LEU 53 CO 0.29 -0.38 0.76 -1.81 0.23 0.00 0.00 176.35 175.45 2dn6 s ASP 54 N -0.50 -0.62 0.30 2.29 1.01 -1.26 -4.85 116.67 113.04 2dn6 s ASP 54 Ca 0.48 0.86 0.20 0.00 0.71 0.00 0.00 52.55 54.81 2dn6 s ASP 54 Cb -0.36 0.75 1.04 0.00 1.01 0.00 0.00 42.92 45.37 2dn6 s ASP 54 CO 0.46 -0.45 1.14 -1.84 0.21 0.00 0.00 175.17 174.69 2dn6 n GLU 55 N 1.41 -0.03 0.32 8.23 0.28 -1.26 0.10 120.64 129.69 2dn6 n GLU 55 Ca -0.16 0.94 -0.17 0.00 -0.16 0.00 0.00 57.16 57.61 2dn6 n GLU 55 Cb 0.57 -1.80 -0.09 0.00 1.43 0.00 0.00 31.44 31.55 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 -0.92 -3.71 -1.84 4.21 -1.95 -3.43 115.58 107.94 2dn6 h ASN 56 Ca 0.63 0.06 -0.56 0.00 1.21 0.00 0.00 56.30 57.63 2dn6 h ASN 56 Cb 1.89 0.27 0.15 0.00 -1.12 0.00 0.00 38.32 39.52 2dn6 h ASN 56 CO -0.42 -0.56 0.33 0.00 -1.29 0.00 0.00 177.43 175.49 2dn6 s VAL 59 N -3.57 4.21 0.11 0.00 0.11 -1.26 -0.37 120.40 119.63 2dn6 s VAL 59 Ca 0.01 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2dn6 s VAL 59 Cb -0.01 -2.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 2dn6 s VAL 59 CO -0.12 0.53 -0.08 -1.83 -3.33 0.00 0.00 175.10 170.27 2dn6 s GLU 60 N -1.11 0.90 0.13 1.54 -1.05 -0.15 -4.98 118.70 113.98 2dn6 s GLU 60 Ca 0.15 -1.34 -0.15 0.00 -0.15 0.00 0.00 54.97 53.48 2dn6 s GLU 60 Cb -0.11 -0.38 -0.07 0.00 -0.44 0.00 0.00 34.13 33.12 2dn6 s GLU 60 CO 0.05 0.03 0.56 -1.54 0.95 0.00 0.00 175.26 175.30 2dn6 s SER 61 N -2.98 6.88 0.13 0.83 1.04 -1.26 -1.55 113.70 116.79 2dn6 s SER 61 Ca 0.12 1.12 0.09 0.00 0.48 0.00 0.00 55.95 57.77 2dn6 s SER 61 Cb 0.03 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2dn6 s SER 61 CO -0.02 0.14 -0.16 -0.76 0.98 0.00 0.00 173.24 173.41 2dn6 s LEU 62 N -1.77 2.76 0.00 2.42 1.43 0.73 -4.85 118.68 119.40 2dn6 s LEU 62 Ca 0.36 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2dn6 s LEU 62 Cb -0.16 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2dn6 s LEU 62 CO 0.19 0.16 0.00 -0.81 0.23 0.00 0.00 176.35 176.12 2dn6 n PRO 63 N 0.61 -0.03 -3.50 1.29 -0.04 -1.26 -3.93 135.00 128.13 2dn6 n PRO 63 Ca -0.14 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 2dn6 n PRO 63 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.51 6.36 0.07 3.54 1.01 -1.26 -4.50 116.67 120.39 2dn6 s ASP 64 Ca 0.00 0.42 -0.13 0.00 0.71 0.00 0.00 52.55 53.55 2dn6 s ASP 64 Cb 0.00 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.76 2dn6 s ASP 64 CO 0.00 0.02 0.28 -1.59 0.21 0.00 0.00 175.17 174.09 2dn6 s LYS 65 N 0.96 0.87 -1.08 8.23 -2.85 -1.25 -4.89 119.74 119.73 2dn6 s LYS 65 Ca 0.15 -0.69 -0.10 0.00 -1.00 0.00 0.00 55.97 54.34 2dn6 s LYS 65 Cb -0.14 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 36.09 2dn6 s LYS 65 CO 0.06 -0.29 0.36 -3.47 0.10 0.00 0.00 175.35 172.10 2dn6 n ASP 66 N 0.22 -2.53 -3.05 0.03 -0.08 -1.26 0.12 116.55 110.00 2dn6 n ASP 66 Ca -0.17 -0.33 -0.17 0.00 -1.51 0.00 0.00 54.79 52.61 2dn6 n ASP 66 Cb 0.61 -2.17 0.07 0.00 2.34 0.00 0.00 41.12 41.98 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dn6 n GLY 67 N -0.94 -0.26 3.51 0.27 0.00 -1.26 -5.03 105.19 101.48 2dn6 n GLY 67 Ca 0.02 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -5.55 1.83 0.01 1.61 -0.14 0.12 -5.15 119.74 112.47 2dn6 s LYS 68 Ca 0.21 -1.59 0.01 0.00 -1.36 0.00 0.00 55.97 53.24 2dn6 s LYS 68 Cb -0.09 -1.92 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 2dn6 s LYS 68 CO 0.61 0.36 -0.03 0.15 -0.76 0.00 0.00 175.35 175.68 2dn6 s LYS 69 N -3.31 0.23 -1.09 1.68 3.01 -1.26 -3.92 119.74 115.08 2dn6 s LYS 69 Ca 0.28 -0.28 -0.01 0.00 -1.01 0.00 0.00 55.97 54.95 2dn6 s LYS 69 Cb -0.06 -0.09 0.00 0.00 -1.01 0.00 0.00 37.83 36.67 2dn6 s LYS 69 CO 0.15 0.02 0.91 0.00 0.51 0.00 0.00 175.35 176.94 2dn6 s LEU 71 N -5.96 4.27 -0.10 0.00 1.43 -1.25 -3.90 118.68 113.17 2dn6 s LEU 71 Ca 0.05 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2dn6 s LEU 71 Cb -0.02 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.53 2dn6 s LEU 71 CO 0.65 -0.03 0.25 0.72 0.23 0.00 0.00 176.35 178.18 2dn6 s PHE 72 N -1.64 -0.30 0.13 0.29 -0.12 -1.15 -0.19 117.98 115.00 2dn6 s PHE 72 Ca 0.46 0.72 0.09 0.00 -0.05 0.00 0.00 56.93 58.15 2dn6 s PHE 72 Cb -0.15 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2dn6 s PHE 72 CO 0.20 -0.17 -0.22 -1.17 -0.05 0.00 0.00 175.22 173.81 2dn6 s LEU 73 N 0.55 2.34 -0.17 -1.99 0.20 -0.59 -2.34 118.68 116.68 2dn6 s LEU 73 Ca -0.03 -0.74 -0.04 0.00 0.69 0.00 0.00 54.13 54.00 2dn6 s LEU 73 Cb -0.05 -0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 44.73 2dn6 s LEU 73 CO -0.03 0.07 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.39 2dn6 s VAL 74 N -1.35 4.00 -0.29 1.68 1.01 0.35 -0.98 120.40 124.82 2dn6 s VAL 74 Ca 0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 2dn6 s VAL 74 Cb -0.09 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2dn6 s VAL 74 CO 0.05 0.47 0.12 -0.75 0.00 0.00 0.00 175.10 175.00 2dn6 s LYS 75 N 0.54 3.48 0.50 2.72 2.47 0.50 -2.12 119.74 127.84 2dn6 s LYS 75 Ca -0.02 -0.62 0.04 0.00 -1.56 0.00 0.00 55.97 53.82 2dn6 s LYS 75 Cb -0.14 -3.48 -0.01 0.00 -1.46 0.00 0.00 37.83 32.75 2dn6 s LYS 75 CO 0.02 -0.32 0.16 0.00 0.16 0.00 0.00 175.35 175.38 2dn6 n PHE 77 N -1.41 0.00 0.00 0.00 3.72 -1.26 -4.07 117.46 114.43 2dn6 n PHE 77 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2dn6 n PHE 77 Cb 0.66 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2dn6 n PHE 77 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2dn6 n ASP 78 N -1.88 3.60 -4.85 4.37 5.75 -1.26 -5.07 116.55 117.21 2dn6 n ASP 78 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.46 2dn6 n ASP 78 Cb 0.00 0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2dn6 s LYS 79 N -1.74 3.94 0.05 0.11 1.02 -1.26 -5.09 119.74 116.78 2dn6 s LYS 79 Ca 0.00 0.82 0.03 0.00 0.02 0.00 0.00 55.97 56.84 2dn6 s LYS 79 Cb 0.00 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 2dn6 s LYS 79 CO 0.00 -0.15 -0.09 0.95 -0.92 0.00 0.00 175.35 175.15 2dn6 s THR 80 N -2.46 0.65 -0.15 2.17 -4.23 -1.26 -2.09 115.64 108.28 2dn6 s THR 80 Ca 0.57 -1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 2dn6 s THR 80 Cb -0.10 -0.82 0.05 0.00 1.34 0.00 0.00 72.50 72.96 2dn6 s THR 80 CO 0.28 -0.43 0.01 -0.36 -0.54 0.00 0.00 174.62 173.59 2dn6 s PHE 81 N -1.67 0.97 -0.41 3.99 0.40 -0.90 -5.01 117.98 115.34 2dn6 s PHE 81 Ca -0.06 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.49 2dn6 s PHE 81 Cb -0.08 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.50 2dn6 s PHE 81 CO 0.00 -0.51 0.30 -2.00 0.70 0.00 0.00 175.22 173.71 2dn6 s GLU 82 N 1.88 2.96 0.15 0.44 2.12 -1.26 -0.49 118.70 124.49 2dn6 s GLU 82 Ca 0.01 -1.05 0.09 0.00 0.36 0.00 0.00 54.97 54.38 2dn6 s GLU 82 Cb -0.15 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 2dn6 s GLU 82 CO -0.07 -0.77 -0.13 0.42 -0.54 0.00 0.00 175.26 174.17 2dn6 s ILE 83 N 1.67 3.04 -0.06 -3.70 1.01 -0.99 -0.45 121.20 121.72 2dn6 s ILE 83 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 60.65 59.15 2dn6 s ILE 83 Cb -0.19 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2dn6 s ILE 83 CO 0.09 -0.01 -0.17 -0.94 0.00 0.00 0.00 174.94 173.91 2dn6 s SER 84 N -2.51 2.24 0.62 3.58 1.04 0.29 -2.94 113.70 116.02 2dn6 s SER 84 Ca 0.22 -0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2dn6 s SER 84 Cb -0.10 -0.79 0.10 0.00 0.10 0.00 0.00 66.02 65.33 2dn6 s SER 84 CO 0.13 0.13 0.86 0.00 0.98 0.00 0.00 173.24 175.33 2dn6 s ALA 85 N 0.24 4.37 -0.05 5.32 0.00 -1.25 -2.30 121.76 128.09 2dn6 s ALA 85 Ca -0.09 -2.00 -0.07 0.00 0.00 0.00 0.00 51.96 49.80 2dn6 s ALA 85 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 2dn6 s ALA 85 CO 0.04 -1.05 -0.14 0.45 0.00 0.00 0.00 175.76 175.05 2dn6 n SER 86 N -2.43 1.21 -4.83 0.00 2.88 -1.26 -4.90 113.62 104.29 2dn6 n SER 86 Ca 0.15 0.19 -0.33 0.00 -1.33 0.00 0.00 58.87 57.55 2dn6 n SER 86 Cb 0.61 -0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 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 -5.98 5.93 0.26 -3.46 1.11 -1.26 -5.01 116.67 108.26 2dn6 s ASP 87 Ca -0.13 0.21 -0.02 0.00 0.18 0.00 0.00 52.55 52.79 2dn6 s ASP 87 Cb 0.03 -1.76 0.54 0.00 1.07 0.00 0.00 42.92 42.80 2dn6 s ASP 87 CO 0.18 0.27 1.71 0.11 1.18 0.00 0.00 175.17 178.62 2dn6 h LYS 88 N 3.97 0.37 -0.70 8.23 1.57 -1.96 0.43 116.57 128.47 2dn6 h LYS 88 Ca -0.49 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.38 2dn6 h LYS 88 Cb 1.18 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2dn6 h LYS 88 CO 0.65 0.25 0.31 -0.22 -0.57 0.00 0.00 179.45 179.86 2dn6 h LYS 89 N 0.38 0.49 0.80 3.15 1.63 -1.99 -1.42 116.57 119.62 2dn6 h LYS 89 Ca 0.46 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.19 2dn6 h LYS 89 Cb 0.78 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2dn6 h LYS 89 CO -0.47 0.33 -0.39 0.87 -3.45 0.00 0.00 179.45 176.34 2dn6 h LYS 90 N 0.51 -1.04 -0.56 1.90 1.57 -1.35 -0.65 116.57 116.95 2dn6 h LYS 90 Ca 0.36 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 2dn6 h LYS 90 Cb 0.46 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.92 2dn6 h LYS 90 CO -0.32 -0.69 -0.48 -0.22 -0.57 0.00 0.00 179.45 177.16 2dn6 h LYS 91 N -1.29 -0.18 0.15 3.15 3.11 -1.11 0.24 116.57 120.65 2dn6 h LYS 91 Ca -0.11 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2dn6 h LYS 91 Cb 0.83 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 2dn6 h LYS 91 CO 0.18 -0.12 -0.14 0.37 -2.81 0.00 0.00 179.45 176.93 2dn6 h GLN 92 N -0.19 -0.28 -0.87 1.90 4.15 -1.33 -1.37 115.11 117.12 2dn6 h GLN 92 Ca 0.09 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.70 2dn6 h GLN 92 Cb 0.43 0.06 -0.16 0.00 0.21 0.00 0.00 27.48 28.03 2dn6 h GLN 92 CO -0.63 -0.18 -0.25 0.39 -1.93 0.00 0.00 178.83 176.23 2dn6 n GLU 93 N -3.13 -0.11 0.28 1.69 -0.58 -0.25 -0.22 120.64 118.31 2dn6 n GLU 93 Ca -0.03 1.36 -0.17 0.00 -0.42 0.00 0.00 57.16 57.89 2dn6 n GLU 93 Cb 0.13 -2.03 -0.09 0.00 -0.57 0.00 0.00 31.44 28.89 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 -1.17 0.05 -0.32 4.06 -0.31 0.31 115.95 118.57 2dn6 h TRP 94 Ca 0.39 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.38 2dn6 h TRP 94 Cb 0.61 0.45 -0.05 0.00 -1.00 0.00 0.00 29.16 29.18 2dn6 h TRP 94 CO -0.69 -0.60 -0.31 0.82 -3.56 0.00 0.00 178.44 174.10 2dn6 h ILE 95 N -0.90 0.33 -0.67 1.49 2.04 0.55 0.10 117.51 120.45 2dn6 h ILE 95 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2dn6 h ILE 95 Cb 0.79 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2dn6 h ILE 95 CO -0.04 0.00 0.31 1.56 0.00 0.00 0.00 178.15 179.98 2dn6 h GLN 96 N -0.49 0.52 0.43 2.37 1.08 -0.49 0.17 115.11 118.71 2dn6 h GLN 96 Ca 0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2dn6 h GLN 96 Cb 0.55 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2dn6 h GLN 96 CO -0.23 0.35 -0.21 0.00 -0.95 0.00 0.00 178.83 177.79 2dn6 h ALA 97 N 1.41 -0.58 0.02 3.87 0.00 0.26 -1.05 119.26 123.20 2dn6 h ALA 97 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2dn6 h ALA 97 Cb 0.35 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2dn6 h ALA 97 CO -0.27 -0.82 -0.08 0.82 0.00 0.00 0.00 179.25 178.90 2dn6 h ILE 98 N -0.59 0.80 -0.25 0.00 2.04 -0.41 0.34 117.51 119.44 2dn6 h ILE 98 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2dn6 h ILE 98 Cb 0.45 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2dn6 h ILE 98 CO 0.10 0.00 -0.23 -0.74 0.00 0.00 0.00 178.15 177.28 2dn6 h HIS 99 N -0.15 -0.59 0.09 1.37 2.76 -0.62 -1.27 115.15 116.73 2dn6 h HIS 99 Ca 0.02 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2dn6 h HIS 99 Cb 0.18 0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2dn6 h HIS 99 CO -0.14 -0.30 -0.06 0.77 -1.30 0.00 0.00 177.93 176.90 2dn6 h SER 100 N -0.23 -0.15 -0.95 3.26 0.02 -0.98 -2.52 113.55 112.01 2dn6 h SER 100 Ca 0.14 0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.33 2dn6 h SER 100 Cb 0.44 0.05 -0.12 0.00 0.14 0.00 0.00 62.40 62.90 2dn6 h SER 100 CO -0.38 -0.10 0.49 0.74 -1.14 0.00 0.00 176.83 176.44 2dn6 h THR 101 N -0.15 0.51 -0.54 -2.27 2.02 -0.43 0.34 112.91 112.39 2dn6 h THR 101 Ca -0.01 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2dn6 h THR 101 Cb 0.13 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 2dn6 h THR 101 CO 0.00 0.09 0.14 0.40 0.37 0.00 0.00 175.52 176.52 2dn6 h ILE 102 N 0.49 1.22 -0.92 3.11 2.04 -0.82 -2.60 117.51 120.02 2dn6 h ILE 102 Ca 0.60 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2dn6 h ILE 102 Cb 1.14 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 2dn6 h ILE 102 CO -0.50 0.30 0.61 -0.74 0.00 0.00 0.00 178.15 177.82 2dn6 h HIS 103 N 0.80 1.14 -0.01 1.37 2.76 -0.05 -0.84 115.15 120.32 2dn6 h HIS 103 Ca 0.18 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2dn6 h HIS 103 Cb 0.28 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 2dn6 h HIS 103 CO 0.02 0.69 0.01 -0.07 -1.30 0.00 0.00 177.93 177.28 2dn6 h LEU 104 N 1.21 0.00 0.03 0.26 3.38 -1.12 -0.89 115.31 118.17 2dn6 h LEU 104 Ca 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 2dn6 h LEU 104 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2dn6 h LEU 104 CO -0.09 0.00 -1.07 -0.07 0.09 0.00 0.00 178.44 177.30 2dn6 h LEU 105 N 0.00 0.11 -0.73 1.67 3.38 -1.18 -3.30 115.31 115.26 2dn6 h LEU 105 Ca 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2dn6 h LEU 105 Cb 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2dn6 h LEU 105 CO -0.00 1.09 0.41 0.11 0.09 0.00 0.00 178.44 180.15 2dn6 h LYS 106 N 0.02 1.00 -0.90 1.13 1.57 -0.91 -2.74 116.57 115.75 2dn6 h LYS 106 Ca -0.04 -0.11 0.24 0.00 -1.87 0.00 0.00 60.65 58.87 2dn6 h LYS 106 Cb 1.82 -0.20 -0.16 0.00 0.08 0.00 0.00 32.23 33.78 2dn6 h LYS 106 CO 0.15 0.74 0.12 -0.07 -0.57 0.00 0.00 179.45 179.81 2dn6 h LEU 107 N 1.00 -0.24 0.00 2.94 -0.00 -1.60 -3.44 115.31 113.97 2dn6 h LEU 107 Ca 0.26 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.37 2dn6 h LEU 107 Cb 0.01 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2dn6 h LEU 107 CO -0.04 -0.24 0.00 0.61 -0.00 0.00 0.00 178.44 178.76 2dn6 n GLY 108 N -1.43 0.07 3.31 0.83 0.00 -1.04 -5.10 105.19 101.84 2dn6 n GLY 108 Ca 0.21 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 2dn6 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn6 s SER 109 N 0.00 6.52 -1.77 1.61 0.01 -1.20 -4.63 113.70 114.24 2dn6 s SER 109 Ca 0.00 -2.41 -0.17 0.00 1.31 0.00 0.00 55.95 54.68 2dn6 s SER 109 Cb 0.00 -2.19 0.17 0.00 0.21 0.00 0.00 66.02 64.20 2dn6 s SER 109 CO 0.00 -0.65 0.49 -1.54 0.41 0.00 0.00 173.24 171.95 2dn6 n SER 110 N 4.36 -1.41 -3.69 2.44 3.41 -1.26 -4.78 113.62 112.70 2dn6 n SER 110 Ca 0.05 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.11 2dn6 n SER 110 Cb 0.44 -1.83 0.02 0.00 -0.26 0.00 0.00 64.21 62.58 2dn6 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn6 n GLY 111 N -1.47 -3.33 0.09 5.00 0.00 -1.26 -4.89 105.19 99.34 2dn6 n GLY 111 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2dn6 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn6 h PRO 112 N -0.33 0.17 -4.30 1.61 0.13 -2.03 -3.41 132.00 123.84 2dn6 h PRO 112 Ca -0.37 -0.09 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 2dn6 h PRO 112 Cb 1.24 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 2dn6 h PRO 112 CO 0.31 0.60 -0.75 -1.54 -0.23 0.00 0.00 178.00 176.39 2dn6 s SER 113 N -5.89 4.26 0.23 1.44 1.04 -1.26 -5.00 113.70 108.51 2dn6 s SER 113 Ca -0.15 -1.66 -0.07 0.00 0.48 0.00 0.00 55.95 54.55 2dn6 s SER 113 Cb 0.03 -1.28 0.37 0.00 0.10 0.00 0.00 66.02 65.24 2dn6 s SER 113 CO 0.71 -0.33 1.27 -1.54 0.98 0.00 0.00 173.24 174.33 2dn6 n SER 114 N 4.55 -0.30 0.00 7.02 3.41 -1.26 -5.24 113.62 121.81 2dn6 n SER 114 Ca -0.04 1.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 2dn6 n SER 114 Cb 0.43 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2dn6 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49