#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 5.22 -0.79 1.61 0.15 -1.26 -5.01 113.70 113.62 2dn6 s SER 2 Ca 0.00 0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 2dn6 s SER 2 Cb 0.00 -1.40 -0.16 0.00 -1.71 0.00 0.00 66.02 62.75 2dn6 s SER 2 CO 0.00 0.30 2.39 -0.24 1.20 0.00 0.00 173.24 176.89 2dn6 n SER 3 N 1.49 1.41 -1.17 5.45 2.88 -1.26 -3.05 113.62 119.36 2dn6 n SER 3 Ca -0.15 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.17 2dn6 n SER 3 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2dn6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn6 n GLY 4 N 6.54 -0.24 3.99 0.46 0.00 -1.26 -5.10 105.19 109.59 2dn6 n GLY 4 Ca 0.49 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.34 4.66 -0.92 1.61 0.01 -1.17 -5.03 113.70 111.51 2dn6 s SER 5 Ca 0.00 -0.33 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 2dn6 s SER 5 Cb 0.00 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.24 2dn6 s SER 5 CO 0.00 -1.63 0.97 -0.44 0.41 0.00 0.00 173.24 172.55 2dn6 s SER 6 N -4.65 6.82 0.00 2.44 0.01 -1.26 -4.93 113.70 112.13 2dn6 s SER 6 Ca 0.64 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 55.26 2dn6 s SER 6 Cb -0.07 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2dn6 s SER 6 CO 0.42 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2dn6 n GLY 7 N 4.28 0.95 2.33 3.44 0.00 -1.26 -5.08 105.19 109.86 2dn6 n GLY 7 Ca 0.20 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.18 0.00 -0.08 1.61 3.14 -1.26 -4.47 118.33 116.09 2dn6 n VAL 8 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 2dn6 n VAL 8 Cb 0.00 -0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 32.67 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 2.16 0.00 -9.19 6.55 3.38 -0.74 -3.48 115.31 113.99 2dn6 h LEU 9 Ca -0.33 -0.34 -0.63 0.00 0.09 0.00 0.00 57.88 56.68 2dn6 h LEU 9 Cb 0.94 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 2dn6 h LEU 9 CO 0.46 0.99 -0.77 -0.75 0.09 0.00 0.00 178.44 178.46 2dn6 s LYS 10 N -2.15 1.75 -0.25 1.13 2.20 -1.19 -4.97 119.74 116.26 2dn6 s LYS 10 Ca -0.17 -1.54 -0.20 0.00 -0.36 0.00 0.00 55.97 53.70 2dn6 s LYS 10 Cb 0.02 -1.91 0.07 0.00 -1.51 0.00 0.00 37.83 34.50 2dn6 s LYS 10 CO 0.38 0.38 0.66 1.14 -0.36 0.00 0.00 175.35 177.55 2dn6 s GLN 11 N -3.05 0.73 0.00 4.03 -2.07 -1.26 -1.81 119.66 116.23 2dn6 s GLN 11 Ca 0.25 1.02 0.00 0.00 -1.82 0.00 0.00 55.36 54.81 2dn6 s GLN 11 Cb -0.07 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2dn6 s GLN 11 CO 0.13 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.40 2dn6 n GLY 12 N 3.33 0.62 3.58 2.60 0.00 -1.22 -5.04 105.19 109.07 2dn6 n GLY 12 Ca -0.16 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 2.42 0.14 1.61 2.02 -1.26 -2.70 117.35 117.58 2dn6 s TYR 13 Ca 0.00 0.50 0.11 0.00 -0.37 0.00 0.00 57.07 57.31 2dn6 s TYR 13 Cb 0.00 -4.42 -0.04 0.00 -0.40 0.00 0.00 41.96 37.10 2dn6 s TYR 13 CO 0.00 -1.83 -0.24 -1.64 -1.57 0.00 0.00 175.55 170.28 2dn6 s MET 14 N 5.21 1.54 -0.22 -0.62 -1.94 -0.92 -4.84 119.30 117.49 2dn6 s MET 14 Ca 0.51 -1.34 -0.08 0.00 -1.71 0.00 0.00 55.69 53.07 2dn6 s MET 14 Cb -0.10 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 2dn6 s MET 14 CO 0.27 0.45 0.08 -1.64 -0.01 0.00 0.00 175.02 174.17 2dn6 s MET 15 N -2.22 3.84 -0.07 2.03 1.00 -1.22 0.03 119.30 122.69 2dn6 s MET 15 Ca 0.17 -0.40 0.02 0.00 0.00 0.00 0.00 55.69 55.48 2dn6 s MET 15 Cb -0.10 -3.32 -0.03 0.00 0.00 0.00 0.00 34.83 31.38 2dn6 s MET 15 CO 0.08 0.01 -0.10 0.21 0.00 0.00 0.00 175.02 175.23 2dn6 s LYS 16 N 1.09 2.70 -0.35 2.03 2.20 -1.19 0.85 119.74 127.07 2dn6 s LYS 16 Ca 0.05 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 54.78 2dn6 s LYS 16 Cb -0.14 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 2dn6 s LYS 16 CO 0.03 0.62 0.95 0.21 -0.36 0.00 0.00 175.35 176.81 2dn6 s LYS 17 N -0.70 3.91 0.00 4.03 2.20 0.75 -3.76 119.74 126.16 2dn6 s LYS 17 Ca 0.11 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2dn6 s LYS 17 Cb -0.11 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2dn6 s LYS 17 CO 0.01 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 2dn6 n GLY 18 N 4.25 -3.32 0.55 5.54 0.00 -1.21 -4.55 105.19 106.45 2dn6 n GLY 18 Ca 0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.96 0.00 -0.19 1.61 -0.00 -1.26 -4.72 115.22 109.70 2dn6 n HIS 19 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2dn6 n HIS 19 Cb 0.00 -0.46 -0.04 0.00 -0.00 0.00 0.00 29.99 29.49 2dn6 n HIS 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dn6 h ARG 20 N -0.52 -0.23 -4.35 -0.41 2.47 -2.00 -3.44 114.38 105.90 2dn6 h ARG 20 Ca -0.29 0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.28 2dn6 h ARG 20 Cb 1.16 0.05 -0.15 0.00 -1.65 0.00 0.00 29.97 29.38 2dn6 h ARG 20 CO -0.18 -0.16 -0.64 0.50 0.56 0.00 0.00 179.97 180.05 2dn6 s ARG 21 N -5.83 0.85 -0.47 0.04 6.06 -1.26 -5.04 118.95 113.29 2dn6 s ARG 21 Ca -0.14 -1.36 -0.06 0.00 -2.50 0.00 0.00 55.73 51.66 2dn6 s ARG 21 Cb 0.13 0.24 -0.16 0.00 0.06 0.00 0.00 34.95 35.22 2dn6 s ARG 21 CO 0.66 -0.22 2.80 0.36 -2.50 0.00 0.00 175.30 176.40 2dn6 n LYS 22 N -0.04 2.06 -3.38 5.12 2.85 -1.26 -4.00 118.16 119.51 2dn6 n LYS 22 Ca -0.08 -1.17 -0.39 0.00 -1.05 0.00 0.00 58.31 55.62 2dn6 n LYS 22 Cb 0.63 -2.16 -0.08 0.00 -0.65 0.00 0.00 35.03 32.76 2dn6 n LYS 22 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2dn6 s ASN 23 N 2.43 6.34 -0.20 -5.58 4.22 -1.26 -4.96 114.94 115.93 2dn6 s ASN 23 Ca 0.53 0.40 -0.15 0.00 -2.14 0.00 0.00 52.86 51.51 2dn6 s ASN 23 Cb 0.21 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.47 2dn6 s ASN 23 CO -0.02 -0.15 0.36 0.26 -2.04 0.00 0.00 177.10 175.51 2dn6 s TRP 24 N 1.76 3.39 -0.04 1.54 0.52 -1.26 -3.34 118.94 121.51 2dn6 s TRP 24 Ca 0.17 0.58 0.03 0.00 0.02 0.00 0.00 56.10 56.90 2dn6 s TRP 24 Cb -0.15 -2.47 0.00 0.00 -1.15 0.00 0.00 33.47 29.70 2dn6 s TRP 24 CO 0.09 0.05 -0.13 0.95 0.02 0.00 0.00 176.95 177.93 2dn6 s THR 25 N 1.11 1.10 -0.57 2.01 -4.23 -1.25 -4.96 115.64 108.86 2dn6 s THR 25 Ca 0.18 -0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 59.89 2dn6 s THR 25 Cb -0.14 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 2dn6 s THR 25 CO 0.07 0.33 1.88 -0.70 -0.54 0.00 0.00 174.62 175.66 2dn6 s GLU 26 N 0.19 2.68 -0.06 3.99 2.12 -1.26 -3.19 118.70 123.17 2dn6 s GLU 26 Ca -0.05 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.08 2dn6 s GLU 26 Cb -0.11 -4.38 -0.02 0.00 0.26 0.00 0.00 34.13 29.89 2dn6 s GLU 26 CO 0.02 -2.66 -0.21 0.50 -0.54 0.00 0.00 175.26 172.37 2dn6 s ARG 27 N 6.94 2.63 0.05 4.30 6.06 0.10 -4.90 118.95 134.14 2dn6 s ARG 27 Ca 0.70 -0.83 -0.31 0.00 -2.50 0.00 0.00 55.73 52.80 2dn6 s ARG 27 Cb -0.14 -2.27 -0.07 0.00 0.06 0.00 0.00 34.95 32.53 2dn6 s ARG 27 CO 0.23 0.43 1.47 -0.46 -2.50 0.00 0.00 175.30 174.47 2dn6 s TRP 28 N -0.26 2.84 0.06 5.12 -0.11 -0.58 -2.17 118.94 123.84 2dn6 s TRP 28 Ca -0.00 0.71 0.05 0.00 1.22 0.00 0.00 56.10 58.08 2dn6 s TRP 28 Cb -0.13 -3.76 -0.04 0.00 -1.50 0.00 0.00 33.47 28.05 2dn6 s TRP 28 CO 0.03 -2.85 -0.08 -0.06 -4.62 0.00 0.00 176.95 169.37 2dn6 s PHE 29 N 2.10 2.81 -0.37 5.86 0.40 -1.10 0.67 117.98 128.35 2dn6 s PHE 29 Ca 0.67 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 2dn6 s PHE 29 Cb -0.35 -1.52 0.12 0.00 0.51 0.00 0.00 43.02 41.77 2dn6 s PHE 29 CO 0.29 0.40 0.16 0.08 0.70 0.00 0.00 175.22 176.84 2dn6 s VAL 30 N -1.11 1.26 -0.74 -0.44 1.01 0.35 -3.42 120.40 117.30 2dn6 s VAL 30 Ca 0.20 -2.02 -0.26 0.00 0.00 0.00 0.00 61.98 59.90 2dn6 s VAL 30 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2dn6 s VAL 30 CO 0.11 -0.77 1.80 -0.22 0.00 0.00 0.00 175.10 176.02 2dn6 s LEU 31 N 0.97 3.25 0.70 3.92 2.96 -0.75 -2.11 118.68 127.63 2dn6 s LEU 31 Ca 0.13 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 2dn6 s LEU 31 Cb -0.21 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 43.95 2dn6 s LEU 31 CO -0.12 -2.38 1.08 -0.54 -1.32 0.00 0.00 176.35 173.07 2dn6 s LYS 32 N 6.76 2.88 0.42 1.98 -0.14 0.73 -0.02 119.74 132.35 2dn6 s LYS 32 Ca 0.63 0.63 0.21 0.00 -1.36 0.00 0.00 55.97 56.08 2dn6 s LYS 32 Cb -0.09 -2.01 0.91 0.00 -1.68 0.00 0.00 37.83 34.95 2dn6 s LYS 32 CO 0.11 -1.06 1.84 -1.00 -0.76 0.00 0.00 175.35 174.48 2dn6 h PRO 33 N -0.68 0.00 0.00 -1.68 0.13 -1.94 -3.25 132.00 124.59 2dn6 h PRO 33 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2dn6 h PRO 33 Cb 1.24 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2dn6 h PRO 33 CO 0.61 0.29 -0.71 0.09 -0.23 0.00 0.00 178.00 178.05 2dn6 n ASN 34 N -3.60 0.96 -3.92 1.44 4.13 -1.26 -4.88 115.26 108.13 2dn6 n ASN 34 Ca -0.01 -2.40 0.05 0.00 1.68 0.00 0.00 54.58 53.90 2dn6 n ASN 34 Cb 0.42 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 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 -0.07 0.00 -3.40 2.41 3.06 -1.23 -4.16 119.36 115.98 2dn6 n ILE 35 Ca 0.07 -0.02 -0.14 0.00 -2.50 0.00 0.00 62.75 60.17 2dn6 n ILE 35 Cb 0.91 0.49 -0.09 0.00 0.54 0.00 0.00 39.64 41.48 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 -0.47 0.11 9.51 1.01 -1.15 -0.20 121.20 128.02 2dn6 s ILE 36 Ca 0.32 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.79 2dn6 s ILE 36 Cb -0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2dn6 s ILE 36 CO -0.03 -0.29 -0.20 -0.44 0.00 0.00 0.00 174.94 173.99 2dn6 s SER 37 N 2.43 3.77 -0.03 3.58 0.01 -0.90 -1.10 113.70 121.46 2dn6 s SER 37 Ca 0.10 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.83 2dn6 s SER 37 Cb -0.15 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2dn6 s SER 37 CO -0.23 0.19 -0.17 -0.72 0.41 0.00 0.00 173.24 172.71 2dn6 s TYR 38 N -1.10 1.65 0.08 2.43 1.13 -1.25 0.13 117.35 120.41 2dn6 s TYR 38 Ca 0.17 -0.41 0.06 0.00 -1.41 0.00 0.00 57.07 55.48 2dn6 s TYR 38 Cb -0.10 -1.09 -0.04 0.00 -1.10 0.00 0.00 41.96 39.62 2dn6 s TYR 38 CO 0.09 -0.11 -0.07 0.71 -2.51 0.00 0.00 175.55 173.66 2dn6 s TYR 39 N -0.15 2.82 0.38 -3.49 2.02 0.21 -2.81 117.35 116.34 2dn6 s TYR 39 Ca 0.01 -0.10 0.21 0.00 -0.37 0.00 0.00 57.07 56.82 2dn6 s TYR 39 Cb -0.09 -1.50 1.28 0.00 -0.40 0.00 0.00 41.96 41.25 2dn6 s TYR 39 CO 0.01 0.42 1.62 0.28 -1.57 0.00 0.00 175.55 176.31 2dn6 h VAL 40 N 3.29 0.14 -3.35 0.71 2.07 -1.28 -1.54 116.25 116.30 2dn6 h VAL 40 Ca -0.48 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 66.78 2dn6 h VAL 40 Cb 1.17 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2dn6 h VAL 40 CO 0.54 0.03 -0.18 -0.24 0.02 0.00 0.00 177.57 177.74 2dn6 n SER 41 N -5.02 -0.54 -1.35 0.57 2.88 -1.26 -4.00 113.62 104.90 2dn6 n SER 41 Ca 0.36 -2.12 -0.06 0.00 -1.33 0.00 0.00 58.87 55.72 2dn6 n SER 41 Cb 1.22 1.11 0.03 0.00 -0.75 0.00 0.00 64.21 65.83 2dn6 n SER 41 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2dn6 n GLU 42 N -0.33 1.28 -0.08 -1.46 0.28 -1.26 -3.64 120.64 115.43 2dn6 n GLU 42 Ca 0.03 -0.64 -0.07 0.00 -0.16 0.00 0.00 57.16 56.31 2dn6 n GLU 42 Cb 0.32 -1.25 -0.14 0.00 1.43 0.00 0.00 31.44 31.80 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 0.34 0.65 -2.29 -1.84 9.92 -1.26 -5.02 116.55 117.04 2dn6 n ASP 43 Ca 0.13 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.27 2dn6 n ASP 43 Cb 0.70 1.00 0.05 0.00 -0.64 0.00 0.00 41.12 42.23 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 -2.62 -2.93 -0.01 0.64 4.77 -1.24 -4.95 117.00 110.66 2dn6 n LEU 44 Ca -0.27 -0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 55.37 2dn6 n LEU 44 Cb 1.03 -1.95 -0.01 0.00 -2.33 0.00 0.00 43.42 40.16 2dn6 n LEU 44 CO 0.38 0.31 -0.58 0.29 -1.33 0.00 0.00 177.39 176.45 2dn6 n LYS 45 N -2.92 0.06 -3.88 3.23 5.02 -1.26 -4.97 118.16 113.44 2dn6 n LYS 45 Ca -0.06 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.89 2dn6 n LYS 45 Cb 0.56 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.42 2dn6 n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dn6 s ASP 46 N -4.31 4.99 0.21 4.39 2.15 -1.26 -5.08 116.67 117.75 2dn6 s ASP 46 Ca -0.03 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.46 2dn6 s ASP 46 Cb 0.01 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.85 2dn6 s ASP 46 CO 0.06 -0.34 0.38 -0.75 -0.17 0.00 0.00 175.17 174.35 2dn6 s LYS 47 N 1.21 3.50 -0.17 4.34 2.20 -1.26 -0.90 119.74 128.66 2dn6 s LYS 47 Ca -0.01 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.25 2dn6 s LYS 47 Cb -0.20 -2.85 -0.16 0.00 -1.51 0.00 0.00 37.83 33.11 2dn6 s LYS 47 CO -0.02 0.41 -0.06 1.63 -0.36 0.00 0.00 175.35 176.94 2dn6 n LYS 48 N -0.78 1.00 -3.09 4.03 4.76 -1.12 -4.91 118.16 118.04 2dn6 n LYS 48 Ca -0.05 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2dn6 n LYS 48 Cb 0.54 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 2.33 -1.25 2.98 0.72 0.00 -1.26 -5.10 105.19 103.61 2dn6 n GLY 49 Ca -0.29 -0.88 -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 -3.21 0.51 -0.66 1.61 1.47 -1.26 -3.90 116.67 111.23 2dn6 s ASP 50 Ca 0.00 -0.31 -0.02 0.00 1.18 0.00 0.00 52.55 53.40 2dn6 s ASP 50 Cb 0.00 0.01 0.17 0.00 -0.34 0.00 0.00 42.92 42.76 2dn6 s ASP 50 CO 0.00 -0.11 0.47 -0.63 0.68 0.00 0.00 175.17 175.59 2dn6 s ILE 51 N -0.78 3.72 -0.35 2.11 1.01 -0.26 -4.99 121.20 121.66 2dn6 s ILE 51 Ca -0.06 -3.13 -0.35 0.00 0.00 0.00 0.00 60.65 57.11 2dn6 s ILE 51 Cb -0.06 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 2dn6 s ILE 51 CO -0.00 -0.90 2.19 0.18 0.00 0.00 0.00 174.94 176.41 2dn6 n LEU 52 N 3.28 2.15 -4.79 2.97 4.77 -1.26 -2.91 117.00 121.20 2dn6 n LEU 52 Ca 0.10 0.40 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 2dn6 n LEU 52 Cb 0.37 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 2dn6 n LEU 52 CO 0.34 -0.73 0.70 -0.76 -1.33 0.00 0.00 177.39 175.60 2dn6 s LEU 53 N 7.35 4.16 -0.12 2.23 1.43 -1.26 -4.94 118.68 127.53 2dn6 s LEU 53 Ca 1.09 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 55.81 2dn6 s LEU 53 Cb -0.85 -4.20 0.10 0.00 0.03 0.00 0.00 46.19 41.27 2dn6 s LEU 53 CO 0.49 -0.36 0.86 -1.81 0.23 0.00 0.00 176.35 175.76 2dn6 s ASP 54 N -1.69 -0.50 0.29 2.29 1.01 -1.26 -4.89 116.67 111.92 2dn6 s ASP 54 Ca 0.57 0.58 0.20 0.00 0.71 0.00 0.00 52.55 54.61 2dn6 s ASP 54 Cb -0.19 0.46 1.01 0.00 1.01 0.00 0.00 42.92 45.21 2dn6 s ASP 54 CO 0.24 -0.44 1.09 -1.84 0.21 0.00 0.00 175.17 174.43 2dn6 n GLU 55 N 0.92 -0.03 0.27 8.23 0.28 -1.26 0.14 120.64 129.19 2dn6 n GLU 55 Ca -0.14 0.90 -0.16 0.00 -0.16 0.00 0.00 57.16 57.60 2dn6 n GLU 55 Cb 0.57 -1.72 -0.08 0.00 1.43 0.00 0.00 31.44 31.64 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 -0.55 -3.39 -1.84 2.35 -1.95 -3.44 115.58 106.76 2dn6 h ASN 56 Ca 0.61 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 55.76 2dn6 h ASN 56 Cb 1.85 0.14 0.14 0.00 0.05 0.00 0.00 38.32 40.50 2dn6 h ASN 56 CO -0.39 -0.32 0.25 0.00 -1.65 0.00 0.00 177.43 175.32 2dn6 s VAL 59 N -3.84 2.51 0.10 0.00 0.11 -1.26 0.03 120.40 118.05 2dn6 s VAL 59 Ca 0.06 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.93 2dn6 s VAL 59 Cb -0.03 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2dn6 s VAL 59 CO -0.04 0.40 -0.07 -1.83 -3.33 0.00 0.00 175.10 170.24 2dn6 s GLU 60 N -1.21 0.85 -0.20 1.54 -1.05 0.22 -4.98 118.70 113.87 2dn6 s GLU 60 Ca 0.13 -1.33 -0.14 0.00 -0.15 0.00 0.00 54.97 53.48 2dn6 s GLU 60 Cb -0.10 -0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.30 2dn6 s GLU 60 CO 0.03 -0.01 0.32 -1.54 0.95 0.00 0.00 175.26 175.01 2dn6 s SER 61 N -3.02 6.36 0.04 0.83 1.04 -1.26 -1.02 113.70 116.66 2dn6 s SER 61 Ca 0.12 0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 2dn6 s SER 61 Cb 0.05 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 2dn6 s SER 61 CO -0.04 -0.01 0.29 -0.76 0.98 0.00 0.00 173.24 173.70 2dn6 s LEU 62 N 1.08 4.35 0.00 2.42 1.43 0.69 -4.92 118.68 123.73 2dn6 s LEU 62 Ca 0.16 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2dn6 s LEU 62 Cb -0.14 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2dn6 s LEU 62 CO 0.06 0.20 0.00 -0.81 0.23 0.00 0.00 176.35 176.03 2dn6 n PRO 63 N 0.83 -0.94 -2.53 1.29 -0.04 -1.26 -3.66 135.00 128.68 2dn6 n PRO 63 Ca -0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 2dn6 n PRO 63 Cb 0.52 0.00 -0.02 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 7.01 0.15 3.54 -4.77 -1.26 -4.63 116.67 115.20 2dn6 s ASP 64 Ca 0.00 1.53 -0.08 0.00 -3.30 0.00 0.00 52.55 50.70 2dn6 s ASP 64 Cb 0.00 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.28 2dn6 s ASP 64 CO 0.00 -0.73 0.24 -1.59 0.70 0.00 0.00 175.17 173.80 2dn6 s LYS 65 N 3.38 1.09 -1.42 2.11 -2.85 -1.26 -4.90 119.74 115.89 2dn6 s LYS 65 Ca 0.50 -1.18 -0.14 0.00 -1.00 0.00 0.00 55.97 54.15 2dn6 s LYS 65 Cb -0.18 0.35 0.14 0.00 -2.06 0.00 0.00 37.83 36.08 2dn6 s LYS 65 CO 0.11 -0.38 0.35 -3.47 0.10 0.00 0.00 175.35 172.06 2dn6 n ASP 66 N -0.18 -0.88 -3.77 0.03 2.03 -1.26 0.15 116.55 112.67 2dn6 n ASP 66 Ca -0.08 -0.99 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 2dn6 n ASP 66 Cb 0.63 -1.26 0.03 0.00 -0.72 0.00 0.00 41.12 39.80 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 -1.28 -0.36 3.71 0.27 0.00 -1.26 -4.99 105.19 101.28 2dn6 n GLY 67 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.19 2.16 0.21 1.61 -0.14 0.39 -5.17 119.74 112.61 2dn6 s LYS 68 Ca 0.21 -2.38 -0.12 0.00 -1.36 0.00 0.00 55.97 52.33 2dn6 s LYS 68 Cb -0.11 -1.24 -0.00 0.00 -1.68 0.00 0.00 37.83 34.80 2dn6 s LYS 68 CO 0.82 -0.44 0.41 -1.59 -0.76 0.00 0.00 175.35 173.79 2dn6 s LYS 69 N -3.83 1.39 -1.15 1.68 0.00 -1.26 -4.08 119.74 112.50 2dn6 s LYS 69 Ca 0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 55.97 54.84 2dn6 s LYS 69 Cb 0.01 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.28 2dn6 s LYS 69 CO 0.05 -0.56 0.03 0.00 0.00 0.00 0.00 175.35 174.87 2dn6 s LEU 71 N -6.32 3.95 -0.18 0.00 1.43 -1.24 -3.40 118.68 112.93 2dn6 s LEU 71 Ca 0.02 1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 54.27 2dn6 s LEU 71 Cb -0.01 -4.08 0.06 0.00 0.03 0.00 0.00 46.19 42.18 2dn6 s LEU 71 CO 0.75 -0.30 0.43 0.72 0.23 0.00 0.00 176.35 178.18 2dn6 s PHE 72 N -2.17 -0.64 0.04 0.29 -0.12 -1.15 -0.22 117.98 114.02 2dn6 s PHE 72 Ca 0.53 1.35 0.08 0.00 -0.05 0.00 0.00 56.93 58.84 2dn6 s PHE 72 Cb -0.10 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 2dn6 s PHE 72 CO 0.23 -0.36 -0.24 -1.17 -0.05 0.00 0.00 175.22 173.64 2dn6 s LEU 73 N 1.42 2.32 -0.18 -1.99 0.20 -0.19 -2.46 118.68 117.79 2dn6 s LEU 73 Ca -0.10 -0.53 -0.06 0.00 0.69 0.00 0.00 54.13 54.14 2dn6 s LEU 73 Cb -0.08 -1.37 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2dn6 s LEU 73 CO -0.13 0.26 0.02 -0.69 -0.29 0.00 0.00 176.35 175.52 2dn6 s VAL 74 N -0.83 4.34 -0.20 1.68 1.01 0.68 -0.61 120.40 126.46 2dn6 s VAL 74 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2dn6 s VAL 74 Cb -0.10 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2dn6 s VAL 74 CO 0.03 0.46 0.05 -0.54 0.00 0.00 0.00 175.10 175.10 2dn6 s LYS 75 N 0.53 3.84 0.49 2.72 1.02 0.10 -1.82 119.74 126.63 2dn6 s LYS 75 Ca 0.00 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.61 2dn6 s LYS 75 Cb -0.13 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2dn6 s LYS 75 CO 0.02 0.14 0.06 0.00 -0.92 0.00 0.00 175.35 174.65 2dn6 n PHE 77 N -1.27 0.00 0.00 0.00 3.72 -1.26 -4.04 117.46 114.61 2dn6 n PHE 77 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2dn6 n PHE 77 Cb 0.67 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.22 4.29 -4.87 4.37 8.00 -1.26 -5.06 116.55 119.80 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 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dn6 s LYS 79 N -1.83 3.81 0.05 -1.24 1.02 -1.26 -5.09 119.74 115.20 2dn6 s LYS 79 Ca 0.00 0.62 0.02 0.00 0.02 0.00 0.00 55.97 56.63 2dn6 s LYS 79 Cb 0.00 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2dn6 s LYS 79 CO 0.00 -0.15 -0.07 0.95 -0.92 0.00 0.00 175.35 175.16 2dn6 s THR 80 N -2.51 0.51 -0.05 2.17 -4.23 -1.26 -1.67 115.64 108.60 2dn6 s THR 80 Ca 0.54 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 2dn6 s THR 80 Cb -0.10 -0.86 0.04 0.00 1.34 0.00 0.00 72.50 72.91 2dn6 s THR 80 CO 0.33 -0.54 0.09 -0.36 -0.54 0.00 0.00 174.62 173.61 2dn6 s PHE 81 N -2.02 -0.05 -0.33 3.99 0.40 -0.75 -5.02 117.98 114.20 2dn6 s PHE 81 Ca -0.05 0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.58 2dn6 s PHE 81 Cb -0.06 -0.27 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2dn6 s PHE 81 CO -0.01 -0.17 0.08 -2.00 0.70 0.00 0.00 175.22 173.81 2dn6 s GLU 82 N 1.63 2.57 0.18 0.44 2.12 -1.26 -0.23 118.70 124.15 2dn6 s GLU 82 Ca -0.03 -1.20 0.08 0.00 0.36 0.00 0.00 54.97 54.18 2dn6 s GLU 82 Cb -0.12 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2dn6 s GLU 82 CO -0.04 -0.66 -0.05 0.42 -0.54 0.00 0.00 175.26 174.39 2dn6 s ILE 83 N 1.36 3.40 -0.10 -3.70 1.01 -1.03 -0.18 121.20 121.97 2dn6 s ILE 83 Ca -0.03 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.07 2dn6 s ILE 83 Cb -0.20 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 2dn6 s ILE 83 CO 0.02 -0.13 -0.22 -0.55 0.00 0.00 0.00 174.94 174.05 2dn6 s SER 84 N -2.94 3.22 0.25 3.58 0.15 0.25 -2.91 113.70 115.30 2dn6 s SER 84 Ca 0.26 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.19 2dn6 s SER 84 Cb -0.09 -1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 62.72 2dn6 s SER 84 CO 0.17 0.16 0.75 0.00 1.20 0.00 0.00 173.24 175.52 2dn6 s ALA 85 N 0.32 3.38 -0.07 5.45 0.00 -1.22 -3.40 121.76 126.21 2dn6 s ALA 85 Ca -0.17 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2dn6 s ALA 85 Cb -0.18 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 2dn6 s ALA 85 CO 0.08 0.31 0.44 1.03 0.00 0.00 0.00 175.76 177.62 2dn6 h SER 86 N 3.19 -0.19 -3.52 0.00 0.87 -1.88 -3.46 113.55 108.55 2dn6 h SER 86 Ca -0.48 -0.14 -0.53 0.00 -1.23 0.00 0.00 61.79 59.41 2dn6 h SER 86 Cb 1.19 0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 63.02 2dn6 h SER 86 CO 0.65 0.34 -0.78 -0.62 -0.53 0.00 0.00 176.83 175.89 2dn6 s ASP 87 N -5.38 2.71 0.42 6.23 -1.08 -1.26 -5.01 116.67 113.30 2dn6 s ASP 87 Ca -0.07 -0.87 0.27 0.00 -0.52 0.00 0.00 52.55 51.37 2dn6 s ASP 87 Cb 0.00 -0.16 1.36 0.00 -1.46 0.00 0.00 42.92 42.66 2dn6 s ASP 87 CO 0.23 -0.03 1.64 0.07 0.52 0.00 0.00 175.17 177.60 2dn6 h LYS 88 N 3.23 0.13 0.31 4.34 2.10 -1.94 0.29 116.57 125.02 2dn6 h LYS 88 Ca -0.42 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 2dn6 h LYS 88 Cb 1.21 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2dn6 h LYS 88 CO 0.51 0.08 -0.16 -0.22 -2.00 0.00 0.00 179.45 177.66 2dn6 h LYS 89 N 0.13 -0.42 0.62 0.07 3.64 -2.00 -2.72 116.57 115.90 2dn6 h LYS 89 Ca 0.79 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 60.17 2dn6 h LYS 89 Cb 2.38 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 34.29 2dn6 h LYS 89 CO -0.43 -0.28 -0.46 0.87 -2.27 0.00 0.00 179.45 176.87 2dn6 h LYS 90 N -0.44 -1.01 -0.83 1.90 1.79 -0.85 -0.04 116.57 117.11 2dn6 h LYS 90 Ca -0.04 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.58 2dn6 h LYS 90 Cb 0.34 0.23 -0.10 0.00 -1.58 0.00 0.00 32.23 31.12 2dn6 h LYS 90 CO 0.06 -0.67 -0.48 1.17 -1.08 0.00 0.00 179.45 178.45 2dn6 n LYS 91 N -5.32 -0.35 0.00 3.15 0.00 -0.89 0.81 118.16 115.55 2dn6 n LYS 91 Ca -0.13 1.25 0.00 0.00 0.00 0.00 0.00 58.31 59.43 2dn6 n LYS 91 Cb 0.45 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.65 2dn6 n LYS 91 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2dn6 n GLN 92 N -5.04 0.00 -0.62 1.64 -0.06 -1.03 -0.23 117.38 112.04 2dn6 n GLN 92 Ca 0.02 0.39 0.46 0.00 -2.00 0.00 0.00 57.00 55.87 2dn6 n GLN 92 Cb 0.22 -1.34 0.72 0.00 -4.06 0.00 0.00 30.24 25.78 2dn6 n GLN 92 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2dn6 n GLU 93 N -1.67 -0.00 -0.06 3.69 -0.58 -0.04 0.30 120.64 122.28 2dn6 n GLU 93 Ca 0.00 0.95 -0.04 0.00 -0.42 0.00 0.00 57.16 57.65 2dn6 n GLU 93 Cb 0.00 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.64 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 0.00 -0.19 -0.32 4.06 0.62 -2.76 115.95 117.35 2dn6 h TRP 94 Ca 0.82 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.80 2dn6 h TRP 94 Cb 3.29 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 31.42 2dn6 h TRP 94 CO -0.00 0.29 0.00 0.82 -3.56 0.00 0.00 178.44 175.99 2dn6 h ILE 95 N -1.00 0.87 -0.40 1.49 2.04 0.31 0.23 117.51 121.05 2dn6 h ILE 95 Ca -0.01 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2dn6 h ILE 95 Cb 0.31 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2dn6 h ILE 95 CO -0.00 0.01 0.23 1.56 0.00 0.00 0.00 178.15 179.95 2dn6 h GLN 96 N 0.06 0.46 0.24 2.37 1.08 -0.60 0.16 115.11 118.88 2dn6 h GLN 96 Ca 0.09 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2dn6 h GLN 96 Cb 0.11 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2dn6 h GLN 96 CO -0.15 0.30 -0.14 0.00 -0.95 0.00 0.00 178.83 177.89 2dn6 h ALA 97 N 1.18 -0.35 -0.03 3.87 0.00 -1.16 -2.12 119.26 120.65 2dn6 h ALA 97 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dn6 h ALA 97 Cb 0.01 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dn6 h ALA 97 CO -0.07 -0.70 0.02 0.82 0.00 0.00 0.00 179.25 179.31 2dn6 h ILE 98 N -0.36 1.00 -0.40 0.00 2.04 -0.78 -0.51 117.51 118.50 2dn6 h ILE 98 Ca -0.03 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2dn6 h ILE 98 Cb 0.29 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 37.25 2dn6 h ILE 98 CO 0.03 0.01 -0.37 -0.74 0.00 0.00 0.00 178.15 177.08 2dn6 h HIS 99 N 0.04 -1.04 0.10 1.37 2.76 -0.59 -1.31 115.15 116.48 2dn6 h HIS 99 Ca 0.01 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2dn6 h HIS 99 Cb 0.00 0.51 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2dn6 h HIS 99 CO -0.08 -0.41 -0.05 1.03 -1.30 0.00 0.00 177.93 177.12 2dn6 h SER 100 N -0.28 -0.11 -1.09 3.26 0.87 -1.25 -2.17 113.55 112.78 2dn6 h SER 100 Ca 0.16 -0.06 0.35 0.00 -1.23 0.00 0.00 61.79 61.01 2dn6 h SER 100 Cb 0.56 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 62.41 2dn6 h SER 100 CO -0.55 -0.01 0.65 0.74 -0.53 0.00 0.00 176.83 177.13 2dn6 h THR 101 N -0.20 0.27 -0.03 2.23 2.02 -0.36 0.18 112.91 117.01 2dn6 h THR 101 Ca -0.01 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 2dn6 h THR 101 Cb 0.16 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2dn6 h THR 101 CO 0.02 0.05 -0.23 0.40 0.37 0.00 0.00 175.52 176.13 2dn6 h ILE 102 N 0.26 1.48 -1.00 3.11 2.04 -0.89 -3.25 117.51 119.26 2dn6 h ILE 102 Ca 0.74 -1.75 0.26 0.00 1.00 0.00 0.00 64.86 65.11 2dn6 h ILE 102 Cb 1.91 2.52 -0.13 0.00 -0.74 0.00 0.00 36.82 40.38 2dn6 h ILE 102 CO -0.53 0.49 0.58 -0.74 0.00 0.00 0.00 178.15 177.95 2dn6 h HIS 103 N -0.38 0.99 -0.33 1.37 2.76 -0.05 0.66 115.15 120.17 2dn6 h HIS 103 Ca -0.02 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 2dn6 h HIS 103 Cb 0.91 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2dn6 h HIS 103 CO 0.15 0.02 0.23 -0.07 -1.30 0.00 0.00 177.93 176.96 2dn6 h LEU 104 N 0.53 0.13 -0.40 0.26 3.38 -1.38 -0.17 115.31 117.66 2dn6 h LEU 104 Ca 0.66 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.47 2dn6 h LEU 104 Cb 1.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2dn6 h LEU 104 CO -0.50 0.09 -0.76 -0.07 0.09 0.00 0.00 178.44 177.28 2dn6 h LEU 105 N 0.15 0.00 -1.04 1.67 3.38 0.23 -3.21 115.31 116.49 2dn6 h LEU 105 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2dn6 h LEU 105 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2dn6 h LEU 105 CO -0.02 0.76 0.47 0.11 0.09 0.00 0.00 178.44 179.85 2dn6 h LYS 106 N 0.00 1.14 -0.71 1.13 1.57 -0.69 -2.63 116.57 116.38 2dn6 h LYS 106 Ca -0.01 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 58.80 2dn6 h LYS 106 Cb 1.39 -0.23 -0.10 0.00 0.08 0.00 0.00 32.23 33.37 2dn6 h LYS 106 CO 0.10 0.82 0.21 -0.07 -0.57 0.00 0.00 179.45 179.94 2dn6 h LEU 107 N 1.15 0.11 -8.20 2.94 -0.00 -1.53 -3.33 115.31 106.46 2dn6 h LEU 107 Ca 0.29 0.13 -0.35 0.00 -0.00 0.00 0.00 57.88 57.95 2dn6 h LEU 107 Cb -0.00 0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 40.75 2dn6 h LEU 107 CO -0.05 0.02 0.88 -0.83 -0.00 0.00 0.00 178.44 178.46 2dn6 s GLY 108 N -3.44 0.37 -0.06 0.83 0.00 -0.99 -4.82 107.32 99.20 2dn6 s GLY 108 Ca -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 2dn6 s GLY 108 CO 0.75 3.35 3.05 -1.14 0.00 0.00 0.00 173.10 179.12 2dn6 n SER 109 N 13.11 5.46 0.04 1.64 3.41 -1.25 -4.60 113.62 131.42 2dn6 n SER 109 Ca 0.39 -2.57 -0.13 0.00 -0.26 0.00 0.00 58.87 56.31 2dn6 n SER 109 Cb 0.48 -1.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.05 2dn6 n SER 109 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dn6 h SER 110 N 2.42 -1.24 -3.61 4.04 0.02 -1.92 -3.41 113.55 109.85 2dn6 h SER 110 Ca 0.17 0.16 -0.52 0.00 -0.84 0.00 0.00 61.79 60.75 2dn6 h SER 110 Cb 1.28 0.49 0.04 0.00 0.14 0.00 0.00 62.40 64.35 2dn6 h SER 110 CO 0.26 -0.44 0.62 -0.83 -1.14 0.00 0.00 176.83 175.31 2dn6 s GLY 111 N -2.48 2.72 0.08 -3.77 0.00 -1.26 -4.97 107.32 97.64 2dn6 s GLY 111 Ca -0.16 1.13 -0.31 0.00 0.00 0.00 0.00 44.72 45.39 2dn6 s GLY 111 CO 0.64 1.94 1.38 2.56 0.00 0.00 0.00 173.10 179.62 2dn6 s PRO 112 N -0.87 4.32 -0.11 2.90 0.04 -1.26 -5.00 135.00 135.01 2dn6 s PRO 112 Ca 0.52 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 2dn6 s PRO 112 Cb -0.37 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 2dn6 s PRO 112 CO 0.44 -0.46 0.77 0.45 0.04 0.00 0.00 177.00 178.23 2dn6 s SER 113 N 1.31 6.98 -0.35 6.66 0.15 -1.26 -5.00 113.70 122.19 2dn6 s SER 113 Ca 0.64 1.19 -0.29 0.00 0.70 0.00 0.00 55.95 58.20 2dn6 s SER 113 Cb -0.35 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2dn6 s SER 113 CO 0.29 -0.25 1.56 -0.94 1.20 0.00 0.00 173.24 175.10 2dn6 s SER 114 N 0.99 6.21 0.00 5.45 1.04 -1.26 -5.29 113.70 120.84 2dn6 s SER 114 Ca 0.38 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2dn6 s SER 114 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2dn6 s SER 114 CO 0.16 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.51