#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 n SER 2 N 0.00 5.90 -3.81 1.61 3.41 -1.26 -4.98 113.62 114.49 2dn6 n SER 2 Ca 0.00 -3.76 -0.13 0.00 -0.26 0.00 0.00 58.87 54.72 2dn6 n SER 2 Cb 0.00 -0.59 -0.13 0.00 -0.26 0.00 0.00 64.21 63.22 2dn6 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dn6 s SER 3 N -2.90 -0.10 -0.37 4.04 0.01 -1.26 -5.05 113.70 108.07 2dn6 s SER 3 Ca 0.55 0.22 0.10 0.00 1.31 0.00 0.00 55.95 58.13 2dn6 s SER 3 Cb 0.44 0.19 0.38 0.00 0.21 0.00 0.00 66.02 67.24 2dn6 s SER 3 CO -0.04 -0.07 1.40 0.61 0.41 0.00 0.00 173.24 175.56 2dn6 n GLY 4 N 3.36 1.49 3.10 3.44 0.00 -1.26 -5.13 105.19 110.19 2dn6 n GLY 4 Ca -0.16 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2dn6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn6 s SER 5 N -1.12 -0.23 -0.26 1.61 1.04 -1.26 -5.14 113.70 108.33 2dn6 s SER 5 Ca 0.16 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2dn6 s SER 5 Cb 0.40 0.46 0.04 0.00 0.10 0.00 0.00 66.02 67.02 2dn6 s SER 5 CO -0.10 -0.08 -0.07 -0.44 0.98 0.00 0.00 173.24 173.53 2dn6 s SER 6 N 0.15 4.44 0.00 7.02 0.01 -1.26 -5.04 113.70 119.02 2dn6 s SER 6 Ca -0.00 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2dn6 s SER 6 Cb -0.02 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2dn6 s SER 6 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2dn6 n GLY 7 N 4.57 0.54 2.66 3.44 0.00 -1.26 -5.06 105.19 110.07 2dn6 n GLY 7 Ca -0.15 -2.16 -0.46 0.00 0.00 0.00 0.00 46.02 43.25 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 3.18 0.00 -0.09 1.61 3.14 -1.26 -4.33 118.33 120.58 2dn6 n VAL 8 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 2dn6 n VAL 8 Cb 0.00 -0.16 -0.12 0.00 -1.06 0.00 0.00 33.84 32.50 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 2.87 0.00 -9.05 6.55 3.38 -0.78 -3.48 115.31 114.80 2dn6 h LEU 9 Ca -0.35 -0.64 -0.60 0.00 0.09 0.00 0.00 57.88 56.38 2dn6 h LEU 9 Cb 1.03 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.62 2dn6 h LEU 9 CO 0.59 1.34 -0.79 -0.75 0.09 0.00 0.00 178.44 178.92 2dn6 s LYS 10 N -2.32 1.52 -0.26 1.13 2.20 -1.18 -5.01 119.74 115.82 2dn6 s LYS 10 Ca -0.26 -1.59 -0.16 0.00 -0.36 0.00 0.00 55.97 53.60 2dn6 s LYS 10 Cb 0.03 -1.68 0.07 0.00 -1.51 0.00 0.00 37.83 34.75 2dn6 s LYS 10 CO 0.61 0.34 0.65 1.14 -0.36 0.00 0.00 175.35 177.73 2dn6 s GLN 11 N -3.04 0.68 0.00 4.03 -2.07 -1.26 -1.71 119.66 116.28 2dn6 s GLN 11 Ca 0.23 1.12 0.00 0.00 -1.82 0.00 0.00 55.36 54.89 2dn6 s GLN 11 Cb -0.06 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 2dn6 s GLN 11 CO 0.11 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.35 2dn6 n GLY 12 N 4.07 0.83 3.67 2.60 0.00 -1.17 -5.00 105.19 110.18 2dn6 n GLY 12 Ca -0.20 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 3.06 0.07 1.61 2.02 -1.26 -2.22 117.35 118.63 2dn6 s TYR 13 Ca 0.00 1.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.94 2dn6 s TYR 13 Cb 0.00 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 2dn6 s TYR 13 CO 0.00 -1.25 -0.15 -1.64 -1.57 0.00 0.00 175.55 170.94 2dn6 s MET 14 N 3.15 0.88 -0.25 -0.62 -1.94 -0.87 -4.87 119.30 114.79 2dn6 s MET 14 Ca 0.52 -0.93 -0.16 0.00 -1.71 0.00 0.00 55.69 53.41 2dn6 s MET 14 Cb -0.20 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 2dn6 s MET 14 CO 0.14 0.21 0.40 -1.64 -0.01 0.00 0.00 175.02 174.12 2dn6 s MET 15 N -1.61 4.06 -0.13 2.03 1.00 -1.20 -0.41 119.30 123.04 2dn6 s MET 15 Ca -0.00 0.12 -0.03 0.00 0.00 0.00 0.00 55.69 55.78 2dn6 s MET 15 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 34.83 31.08 2dn6 s MET 15 CO 0.02 -0.23 -0.03 0.21 0.00 0.00 0.00 175.02 174.99 2dn6 s LYS 16 N 1.91 3.41 -0.05 2.03 2.20 -1.13 0.11 119.74 128.23 2dn6 s LYS 16 Ca 0.17 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2dn6 s LYS 16 Cb -0.15 -2.85 -0.06 0.00 -1.51 0.00 0.00 37.83 33.26 2dn6 s LYS 16 CO 0.09 0.40 1.63 0.21 -0.36 0.00 0.00 175.35 177.32 2dn6 s LYS 17 N -0.07 4.19 1.04 4.03 2.20 -0.02 -3.38 119.74 127.73 2dn6 s LYS 17 Ca 0.02 2.17 -0.19 0.00 -0.36 0.00 0.00 55.97 57.61 2dn6 s LYS 17 Cb -0.13 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2dn6 s LYS 17 CO 0.02 -0.82 -0.30 0.41 -0.36 0.00 0.00 175.35 174.30 2dn6 n GLY 18 N 4.08 -2.74 3.44 5.54 0.00 -0.94 -4.64 105.19 109.94 2dn6 n GLY 18 Ca 0.17 -0.65 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 2dn6 n GLY 18 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dn6 n HIS 19 N -3.83 1.42 -3.95 1.61 -0.00 -1.26 -1.80 115.22 107.41 2dn6 n HIS 19 Ca 0.01 0.31 -0.32 0.00 -0.00 0.00 0.00 57.72 57.73 2dn6 n HIS 19 Cb 0.62 -2.51 -0.07 0.00 -0.00 0.00 0.00 29.99 28.04 2dn6 n HIS 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2dn6 n ARG 20 N 8.27 -0.82 -3.71 -1.40 5.12 -1.26 -4.87 116.66 117.99 2dn6 n ARG 20 Ca 0.45 0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 56.35 2dn6 n ARG 20 Cb 0.22 -3.52 -0.10 0.00 -1.16 0.00 0.00 32.46 27.90 2dn6 n ARG 20 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dn6 s ARG 21 N -6.16 0.52 -1.07 5.56 3.00 -0.75 -5.07 118.95 114.99 2dn6 s ARG 21 Ca 0.48 0.71 -0.23 0.00 -1.00 0.00 0.00 55.73 55.69 2dn6 s ARG 21 Cb -0.28 0.19 -0.13 0.00 0.00 0.00 0.00 34.95 34.73 2dn6 s ARG 21 CO 0.82 -0.09 1.94 1.17 0.00 0.00 0.00 175.30 179.14 2dn6 n LYS 22 N 3.24 1.34 -3.14 5.12 4.81 -1.26 -2.21 118.16 126.06 2dn6 n LYS 22 Ca -0.16 -2.23 -0.21 0.00 -0.87 0.00 0.00 58.31 54.84 2dn6 n LYS 22 Cb 0.56 -3.59 -0.04 0.00 0.02 0.00 0.00 35.03 31.99 2dn6 n LYS 22 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2dn6 n ASN 23 N 13.84 1.67 -4.72 3.14 5.15 -1.26 -4.93 115.26 128.15 2dn6 n ASN 23 Ca 0.45 -3.14 -0.42 0.00 -0.60 0.00 0.00 54.58 50.87 2dn6 n ASN 23 Cb 0.45 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.06 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 -2.55 2.96 -0.03 1.20 0.52 -1.26 -3.27 118.94 116.51 2dn6 s TRP 24 Ca 0.42 0.45 -0.02 0.00 0.02 0.00 0.00 56.10 56.97 2dn6 s TRP 24 Cb 0.31 -4.05 0.01 0.00 -1.15 0.00 0.00 33.47 28.59 2dn6 s TRP 24 CO -0.09 -3.96 0.08 0.95 0.02 0.00 0.00 176.95 173.94 2dn6 s THR 25 N 1.18 -0.01 -0.10 2.01 -4.23 -1.22 -4.92 115.64 108.36 2dn6 s THR 25 Ca 0.73 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.99 2dn6 s THR 25 Cb -0.47 -0.13 -0.05 0.00 1.34 0.00 0.00 72.50 73.19 2dn6 s THR 25 CO 0.32 0.02 1.70 -0.70 -0.54 0.00 0.00 174.62 175.42 2dn6 s GLU 26 N 0.30 4.03 -0.02 3.99 2.12 -1.26 -2.84 118.70 125.02 2dn6 s GLU 26 Ca -0.02 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2dn6 s GLU 26 Cb -0.03 -4.03 0.03 0.00 0.26 0.00 0.00 34.13 30.35 2dn6 s GLU 26 CO -0.01 -1.03 0.02 1.03 -0.54 0.00 0.00 175.26 174.73 2dn6 s ARG 27 N 4.35 0.07 0.37 4.30 1.81 0.45 -4.91 118.95 125.39 2dn6 s ARG 27 Ca 0.76 0.14 -0.28 0.00 -1.72 0.00 0.00 55.73 54.63 2dn6 s ARG 27 Cb -0.32 -0.31 -0.11 0.00 -0.45 0.00 0.00 34.95 33.76 2dn6 s ARG 27 CO 0.31 -0.15 1.46 1.87 -0.68 0.00 0.00 175.30 178.11 2dn6 n TRP 28 N 4.11 2.90 -4.66 -0.53 -0.00 -1.08 -2.04 117.44 116.14 2dn6 n TRP 28 Ca -0.27 0.46 -0.24 0.00 -0.00 0.00 0.00 57.50 57.45 2dn6 n TRP 28 Cb 0.51 -2.52 -0.16 0.00 -0.00 0.00 0.00 31.31 29.14 2dn6 n TRP 28 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 2dn6 s PHE 29 N -1.12 1.45 -0.53 5.87 0.08 -0.94 -1.83 117.98 120.97 2dn6 s PHE 29 Ca 0.54 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2dn6 s PHE 29 Cb -0.49 -1.02 0.14 0.00 -0.57 0.00 0.00 43.02 41.08 2dn6 s PHE 29 CO 0.64 -0.18 0.30 0.08 -0.10 0.00 0.00 175.22 175.95 2dn6 s VAL 30 N 0.26 3.09 -0.84 -0.44 1.01 0.29 -3.05 120.40 120.73 2dn6 s VAL 30 Ca -0.07 -2.90 -0.25 0.00 0.00 0.00 0.00 61.98 58.76 2dn6 s VAL 30 Cb -0.12 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2dn6 s VAL 30 CO 0.02 -0.79 1.86 -0.22 0.00 0.00 0.00 175.10 175.97 2dn6 s LEU 31 N 0.13 3.23 0.73 3.92 2.96 -0.69 -2.14 118.68 126.80 2dn6 s LEU 31 Ca 0.15 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 2dn6 s LEU 31 Cb -0.22 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 43.94 2dn6 s LEU 31 CO -0.03 -2.51 1.08 -0.54 -1.32 0.00 0.00 176.35 173.03 2dn6 s LYS 32 N 6.79 2.69 0.41 1.98 -0.14 0.60 -0.07 119.74 132.01 2dn6 s LYS 32 Ca 0.66 0.68 0.20 0.00 -1.36 0.00 0.00 55.97 56.15 2dn6 s LYS 32 Cb -0.08 -1.98 0.86 0.00 -1.68 0.00 0.00 37.83 34.95 2dn6 s LYS 32 CO 0.04 -1.20 1.83 -1.00 -0.76 0.00 0.00 175.35 174.26 2dn6 h PRO 33 N -0.78 0.00 0.00 -1.68 0.13 -1.94 -3.25 132.00 124.48 2dn6 h PRO 33 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2dn6 h PRO 33 Cb 1.24 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.16 2dn6 h PRO 33 CO 0.60 0.31 -0.76 -1.71 -0.23 0.00 0.00 178.00 176.21 2dn6 n ASN 34 N -3.64 1.02 -4.02 1.44 5.15 -1.26 -4.83 115.26 109.11 2dn6 n ASN 34 Ca -0.01 -2.42 0.05 0.00 -0.60 0.00 0.00 54.58 51.60 2dn6 n ASN 34 Cb 0.43 -0.33 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 -0.78 0.00 -0.26 -1.44 2.07 -1.23 -3.90 121.20 115.66 2dn6 s ILE 35 Ca 0.28 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.50 2dn6 s ILE 35 Cb 0.30 -2.95 0.13 0.00 0.13 0.00 0.00 42.46 40.07 2dn6 s ILE 35 CO -0.10 0.00 0.33 -0.63 -1.91 0.00 0.00 174.94 172.63 2dn6 s ILE 36 N -2.00 -0.50 -0.03 2.00 1.01 -1.10 -0.29 121.20 120.29 2dn6 s ILE 36 Ca 0.32 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.76 2dn6 s ILE 36 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2dn6 s ILE 36 CO -0.03 -0.28 -0.15 -0.94 0.00 0.00 0.00 174.94 173.54 2dn6 s SER 37 N 2.45 3.98 -0.09 3.58 1.04 -0.91 -1.48 113.70 122.27 2dn6 s SER 37 Ca 0.10 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.33 2dn6 s SER 37 Cb -0.14 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.17 2dn6 s SER 37 CO -0.23 0.33 -0.21 -0.72 0.98 0.00 0.00 173.24 173.38 2dn6 s TYR 38 N -0.76 2.33 -0.19 5.02 1.13 -1.26 0.10 117.35 123.72 2dn6 s TYR 38 Ca 0.12 -0.95 -0.06 0.00 -1.41 0.00 0.00 57.07 54.77 2dn6 s TYR 38 Cb -0.11 -1.58 -0.03 0.00 -1.10 0.00 0.00 41.96 39.15 2dn6 s TYR 38 CO 0.01 -0.40 0.02 0.71 -2.51 0.00 0.00 175.55 173.39 2dn6 s TYR 39 N 0.43 3.11 0.46 -3.49 1.51 -0.76 -2.98 117.35 115.62 2dn6 s TYR 39 Ca -0.18 -0.25 0.40 0.00 -1.01 0.00 0.00 57.07 56.03 2dn6 s TYR 39 Cb -0.17 -2.08 1.36 0.00 -0.11 0.00 0.00 41.96 40.96 2dn6 s TYR 39 CO 0.07 -0.10 1.26 1.33 -1.11 0.00 0.00 175.55 177.00 2dn6 n VAL 40 N 4.00 0.00 -4.39 0.71 0.24 -1.10 -2.63 118.33 115.16 2dn6 n VAL 40 Ca -0.17 1.20 -0.19 0.00 -2.04 0.00 0.00 64.34 63.14 2dn6 n VAL 40 Cb 0.52 -2.01 -0.10 0.00 -1.47 0.00 0.00 33.84 30.77 2dn6 n VAL 40 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dn6 s SER 41 N -3.84 2.19 -0.23 -1.34 1.04 -1.26 -4.29 113.70 105.96 2dn6 s SER 41 Ca -0.04 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.12 2dn6 s SER 41 Cb 0.21 -0.05 0.26 0.00 0.10 0.00 0.00 66.02 66.53 2dn6 s SER 41 CO 0.70 -0.52 1.63 -1.84 0.98 0.00 0.00 173.24 174.18 2dn6 n GLU 42 N -0.55 1.61 -0.01 4.02 0.28 -1.26 -3.82 120.64 120.92 2dn6 n GLU 42 Ca -0.04 -1.35 0.09 0.00 -0.16 0.00 0.00 57.16 55.70 2dn6 n GLU 42 Cb 0.65 -1.53 -0.14 0.00 1.43 0.00 0.00 31.44 31.85 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 0.03 0.96 -2.64 -1.84 9.92 -1.26 -5.01 116.55 116.71 2dn6 n ASP 43 Ca 0.27 -0.04 -0.16 0.00 -0.53 0.00 0.00 54.79 54.32 2dn6 n ASP 43 Cb 0.85 1.77 0.06 0.00 -0.64 0.00 0.00 41.12 43.15 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 -2.08 -2.98 0.00 0.64 4.77 -1.25 -4.91 117.00 111.19 2dn6 n LEU 44 Ca -0.03 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2dn6 n LEU 44 Cb 0.45 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 2dn6 n LEU 44 CO 0.37 0.45 -0.43 0.29 -1.33 0.00 0.00 177.39 176.74 2dn6 n LYS 45 N -3.61 0.47 -3.49 3.23 5.02 -1.26 -4.96 118.16 113.56 2dn6 n LYS 45 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2dn6 n LYS 45 Cb 0.54 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 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 -3.71 5.87 0.10 4.39 2.15 -1.26 -5.07 116.67 119.13 2dn6 s ASP 46 Ca 0.00 -1.66 -0.11 0.00 0.43 0.00 0.00 52.55 51.22 2dn6 s ASP 46 Cb 0.00 -2.08 -0.06 0.00 -0.30 0.00 0.00 42.92 40.48 2dn6 s ASP 46 CO 0.00 -0.67 0.43 -0.75 -0.17 0.00 0.00 175.17 174.01 2dn6 s LYS 47 N 1.48 3.80 -0.20 4.34 2.20 -1.26 -2.70 119.74 127.40 2dn6 s LYS 47 Ca 0.04 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2dn6 s LYS 47 Cb -0.26 -2.98 -0.12 0.00 -1.51 0.00 0.00 37.83 32.97 2dn6 s LYS 47 CO 0.02 0.54 -0.20 1.63 -0.36 0.00 0.00 175.35 176.98 2dn6 n LYS 48 N 0.85 0.48 -1.27 4.03 4.76 -1.16 -4.94 118.16 120.92 2dn6 n LYS 48 Ca -0.07 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2dn6 n LYS 48 Cb 0.52 -1.36 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 2.35 1.54 3.17 0.72 0.00 -1.26 -5.10 105.19 106.62 2dn6 n GLY 49 Ca -0.37 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.94 -0.28 -0.52 1.61 -4.77 -1.26 -4.08 116.67 106.42 2dn6 s ASP 50 Ca 0.00 0.52 -0.02 0.00 -3.30 0.00 0.00 52.55 49.75 2dn6 s ASP 50 Cb 0.00 0.55 0.14 0.00 -1.09 0.00 0.00 42.92 42.52 2dn6 s ASP 50 CO 0.00 -0.13 0.32 -0.63 0.70 0.00 0.00 175.17 175.43 2dn6 s ILE 51 N -0.00 3.36 -0.37 2.11 1.01 -0.55 -4.98 121.20 121.78 2dn6 s ILE 51 Ca -0.01 -2.67 -0.32 0.00 0.00 0.00 0.00 60.65 57.64 2dn6 s ILE 51 Cb -0.02 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 2dn6 s ILE 51 CO 0.01 -0.79 2.25 0.18 0.00 0.00 0.00 174.94 176.58 2dn6 n LEU 52 N 3.85 2.31 -4.72 2.97 4.77 -1.26 -2.70 117.00 122.23 2dn6 n LEU 52 Ca 0.04 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 2dn6 n LEU 52 Cb 0.39 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2dn6 n LEU 52 CO 0.33 -0.81 0.75 -0.76 -1.33 0.00 0.00 177.39 175.56 2dn6 s LEU 53 N 8.16 4.40 0.04 2.23 1.43 -1.25 -4.90 118.68 128.79 2dn6 s LEU 53 Ca 1.08 1.82 -0.22 0.00 -1.03 0.00 0.00 54.13 55.78 2dn6 s LEU 53 Cb -0.69 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.01 2dn6 s LEU 53 CO 0.43 -0.29 0.51 -1.81 0.23 0.00 0.00 176.35 175.43 2dn6 s ASP 54 N 0.78 -0.43 0.22 2.29 1.01 -1.26 -4.78 116.67 114.50 2dn6 s ASP 54 Ca 0.53 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.98 2dn6 s ASP 54 Cb -0.25 0.49 0.53 0.00 1.01 0.00 0.00 42.92 44.71 2dn6 s ASP 54 CO 0.29 -0.71 1.08 -1.84 0.21 0.00 0.00 175.17 174.21 2dn6 n GLU 55 N 0.44 -0.05 -0.00 8.23 0.28 -1.26 0.13 120.64 128.40 2dn6 n GLU 55 Ca -0.18 1.03 -0.10 0.00 -0.16 0.00 0.00 57.16 57.75 2dn6 n GLU 55 Cb 0.60 -1.65 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.83 -3.85 -1.84 2.35 -1.96 -3.42 115.58 106.04 2dn6 h ASN 56 Ca 0.42 0.13 -0.56 0.00 -0.55 0.00 0.00 56.30 55.74 2dn6 h ASN 56 Cb 0.88 0.36 0.16 0.00 0.05 0.00 0.00 38.32 39.77 2dn6 h ASN 56 CO -0.65 -0.31 0.36 0.00 -1.65 0.00 0.00 177.43 175.18 2dn6 s VAL 59 N -3.62 3.53 0.29 0.00 0.11 -1.26 0.15 120.40 119.59 2dn6 s VAL 59 Ca 0.06 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 2dn6 s VAL 59 Cb -0.02 -2.52 -0.06 0.00 -1.53 0.00 0.00 36.38 32.25 2dn6 s VAL 59 CO -0.05 0.40 0.01 -1.61 -3.33 0.00 0.00 175.10 170.52 2dn6 s GLU 60 N -1.37 1.54 -0.40 1.54 2.02 0.88 -4.94 118.70 117.96 2dn6 s GLU 60 Ca 0.16 -1.82 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 2dn6 s GLU 60 Cb -0.11 -0.87 0.06 0.00 0.10 0.00 0.00 34.13 33.32 2dn6 s GLU 60 CO 0.07 -0.11 0.23 -1.54 0.02 0.00 0.00 175.26 173.93 2dn6 s SER 61 N -3.43 5.64 0.57 -0.19 1.04 -1.26 -2.18 113.70 113.90 2dn6 s SER 61 Ca 0.33 -1.34 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 2dn6 s SER 61 Cb 0.07 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.15 2dn6 s SER 61 CO 0.13 -0.48 1.04 -0.76 0.98 0.00 0.00 173.24 174.14 2dn6 s LEU 62 N 1.46 3.53 0.00 2.42 1.43 -1.07 -4.94 118.68 121.51 2dn6 s LEU 62 Ca 0.02 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.86 2dn6 s LEU 62 Cb -0.22 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2dn6 s LEU 62 CO 0.03 -1.00 0.02 -0.81 0.23 0.00 0.00 176.35 174.82 2dn6 n PRO 63 N -1.91 -1.06 -3.35 1.29 -0.04 -1.26 -4.32 135.00 124.35 2dn6 n PRO 63 Ca 0.08 -0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 63.06 2dn6 n PRO 63 Cb 0.53 -0.03 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.56 6.17 0.03 3.54 1.47 -1.26 -4.52 116.67 120.54 2dn6 s ASP 64 Ca 0.01 -1.47 -0.03 0.00 1.18 0.00 0.00 52.55 52.24 2dn6 s ASP 64 Cb -0.00 -2.20 -0.02 0.00 -0.34 0.00 0.00 42.92 40.36 2dn6 s ASP 64 CO 0.01 -0.74 0.04 -1.59 0.68 0.00 0.00 175.17 173.57 2dn6 s LYS 65 N 1.69 0.51 -0.84 2.11 0.00 -1.26 -4.84 119.74 117.10 2dn6 s LYS 65 Ca 0.04 -0.78 -0.05 0.00 0.00 0.00 0.00 55.97 55.18 2dn6 s LYS 65 Cb -0.26 0.19 0.01 0.00 0.00 0.00 0.00 37.83 37.77 2dn6 s LYS 65 CO 0.06 -0.11 0.73 -3.47 0.00 0.00 0.00 175.35 172.56 2dn6 n ASP 66 N 0.93 -4.56 -3.52 0.03 2.03 -1.26 -3.31 116.55 106.90 2dn6 n ASP 66 Ca -0.20 -0.34 -0.18 0.00 0.52 0.00 0.00 54.79 54.59 2dn6 n ASP 66 Cb 0.58 -3.34 0.07 0.00 -0.72 0.00 0.00 41.12 37.71 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 -1.42 -0.35 3.55 0.27 0.00 -1.26 -5.01 105.19 100.96 2dn6 n GLY 67 Ca -0.01 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 1.85 0.00 1.61 -0.14 -1.21 -5.07 119.74 111.23 2dn6 s LYS 68 Ca 0.01 -2.07 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 2dn6 s LYS 68 Cb -0.00 -1.18 0.00 0.00 -1.68 0.00 0.00 37.83 34.97 2dn6 s LYS 68 CO 0.76 -0.19 0.00 1.63 -0.76 0.00 0.00 175.35 176.79 2dn6 n LYS 69 N -0.87 0.00 -3.81 1.68 4.01 -1.26 -4.46 118.16 113.44 2dn6 n LYS 69 Ca -0.05 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.41 2dn6 n LYS 69 Cb 0.67 -0.38 -0.11 0.00 -0.51 0.00 0.00 35.03 34.70 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 -0.47 3.41 -0.27 0.00 1.43 -1.26 -1.44 118.68 120.08 2dn6 s LEU 71 Ca 0.19 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.84 2dn6 s LEU 71 Cb -0.19 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 43.99 2dn6 s LEU 71 CO -0.05 0.14 0.68 0.72 0.23 0.00 0.00 176.35 178.07 2dn6 s PHE 72 N -1.49 -0.93 0.10 0.29 -0.71 -0.97 -2.59 117.98 111.68 2dn6 s PHE 72 Ca 0.26 2.00 0.09 0.00 -1.04 0.00 0.00 56.93 58.25 2dn6 s PHE 72 Cb -0.11 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 2dn6 s PHE 72 CO 0.19 -0.46 -0.24 -1.17 -1.34 0.00 0.00 175.22 172.19 2dn6 s LEU 73 N 1.15 2.28 -0.17 -1.99 0.20 -0.93 -1.88 118.68 117.34 2dn6 s LEU 73 Ca -0.06 -0.68 -0.04 0.00 0.69 0.00 0.00 54.13 54.03 2dn6 s LEU 73 Cb -0.05 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 2dn6 s LEU 73 CO -0.12 0.14 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.38 2dn6 s VAL 74 N -1.03 4.00 -0.21 1.68 1.01 0.68 -0.09 120.40 126.44 2dn6 s VAL 74 Ca 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 2dn6 s VAL 74 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2dn6 s VAL 74 CO 0.04 0.47 0.07 -0.54 0.00 0.00 0.00 175.10 175.15 2dn6 s LYS 75 N 0.57 3.88 0.49 2.72 1.02 0.12 -1.95 119.74 126.60 2dn6 s LYS 75 Ca -0.02 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.62 2dn6 s LYS 75 Cb -0.14 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2dn6 s LYS 75 CO 0.02 0.10 0.01 0.00 -0.92 0.00 0.00 175.35 174.56 2dn6 n PHE 77 N -1.19 0.00 0.00 0.00 3.72 -1.26 -4.01 117.46 114.71 2dn6 n PHE 77 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2dn6 n PHE 77 Cb 0.67 -0.18 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 -2.04 3.74 -4.84 4.37 2.03 -1.26 -5.06 116.55 113.50 2dn6 n ASP 78 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 2dn6 n ASP 78 Cb 0.00 0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.67 4.07 0.06 -0.67 1.02 -1.26 -5.09 119.74 116.21 2dn6 s LYS 79 Ca 0.00 0.82 0.04 0.00 0.02 0.00 0.00 55.97 56.85 2dn6 s LYS 79 Cb 0.00 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2dn6 s LYS 79 CO 0.00 0.07 -0.11 0.95 -0.92 0.00 0.00 175.35 175.34 2dn6 s THR 80 N -2.08 0.88 -0.04 2.17 -4.23 -1.26 -1.81 115.64 109.26 2dn6 s THR 80 Ca 0.57 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2dn6 s THR 80 Cb -0.10 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.86 2dn6 s THR 80 CO 0.17 -0.31 0.05 -0.36 -0.54 0.00 0.00 174.62 173.63 2dn6 s PHE 81 N -1.40 0.11 -0.28 3.99 0.40 -0.82 -5.03 117.98 114.94 2dn6 s PHE 81 Ca -0.05 0.21 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 2dn6 s PHE 81 Cb -0.09 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.93 2dn6 s PHE 81 CO 0.01 -0.19 0.11 -2.00 0.70 0.00 0.00 175.22 173.86 2dn6 s GLU 82 N 2.05 3.47 0.19 0.44 2.12 -1.26 -0.23 118.70 125.47 2dn6 s GLU 82 Ca 0.04 -0.62 0.11 0.00 0.36 0.00 0.00 54.97 54.86 2dn6 s GLU 82 Cb -0.12 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2dn6 s GLU 82 CO -0.03 -0.32 -0.23 0.42 -0.54 0.00 0.00 175.26 174.56 2dn6 s ILE 83 N 1.61 2.27 -0.08 -3.70 1.01 -0.79 -0.84 121.20 120.68 2dn6 s ILE 83 Ca 0.05 -2.01 0.03 0.00 0.00 0.00 0.00 60.65 58.72 2dn6 s ILE 83 Cb -0.16 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.24 2dn6 s ILE 83 CO 0.05 -0.15 -0.18 -0.55 0.00 0.00 0.00 174.94 174.12 2dn6 s SER 84 N -2.67 2.40 0.02 3.58 0.15 0.31 -2.29 113.70 115.22 2dn6 s SER 84 Ca 0.20 -0.42 -0.16 0.00 0.70 0.00 0.00 55.95 56.27 2dn6 s SER 84 Cb -0.08 -1.10 -0.06 0.00 -1.71 0.00 0.00 66.02 63.07 2dn6 s SER 84 CO 0.09 0.09 0.45 0.00 1.20 0.00 0.00 173.24 175.07 2dn6 s ALA 85 N 0.54 3.67 -0.05 5.45 0.00 -0.52 -3.24 121.76 127.62 2dn6 s ALA 85 Ca -0.16 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 2dn6 s ALA 85 Cb -0.17 -2.44 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 2dn6 s ALA 85 CO 0.06 0.47 0.67 1.03 0.00 0.00 0.00 175.76 177.98 2dn6 h SER 86 N 4.59 -0.33 -2.84 0.00 0.87 -1.92 -3.40 113.55 110.52 2dn6 h SER 86 Ca -0.51 -0.11 -0.62 0.00 -1.23 0.00 0.00 61.79 59.32 2dn6 h SER 86 Cb 1.22 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 63.13 2dn6 h SER 86 CO 0.62 0.15 -0.72 -1.81 -0.53 0.00 0.00 176.83 174.54 2dn6 s ASP 87 N -5.16 4.20 0.28 6.23 1.11 -1.26 -4.84 116.67 117.23 2dn6 s ASP 87 Ca -0.09 -0.64 0.03 0.00 0.18 0.00 0.00 52.55 52.03 2dn6 s ASP 87 Cb 0.01 -0.68 0.68 0.00 1.07 0.00 0.00 42.92 44.00 2dn6 s ASP 87 CO 0.31 0.08 1.72 0.11 1.18 0.00 0.00 175.17 178.57 2dn6 h LYS 88 N 2.73 0.46 -0.19 8.23 1.57 -1.96 -1.77 116.57 125.64 2dn6 h LYS 88 Ca -0.46 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2dn6 h LYS 88 Cb 1.22 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 2dn6 h LYS 88 CO 0.55 0.30 -0.53 -0.22 -0.57 0.00 0.00 179.45 178.98 2dn6 h LYS 89 N 0.47 -0.51 0.10 3.15 1.63 -1.99 -0.50 116.57 118.92 2dn6 h LYS 89 Ca 0.54 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 60.39 2dn6 h LYS 89 Cb 0.96 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 2dn6 h LYS 89 CO -0.48 -0.34 -0.21 0.87 -3.45 0.00 0.00 179.45 175.84 2dn6 h LYS 90 N -0.53 -0.38 -0.19 1.90 6.56 -1.76 -0.25 116.57 121.91 2dn6 h LYS 90 Ca 0.04 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.67 2dn6 h LYS 90 Cb 0.64 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.36 2dn6 h LYS 90 CO -0.46 -0.26 -0.18 -0.22 -2.06 0.00 0.00 179.45 176.28 2dn6 h LYS 91 N -0.40 -0.08 0.11 3.15 3.11 -0.88 0.47 116.57 122.06 2dn6 h LYS 91 Ca 0.03 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2dn6 h LYS 91 Cb 0.42 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 2dn6 h LYS 91 CO -0.13 -0.05 -0.12 0.37 -2.81 0.00 0.00 179.45 176.71 2dn6 h GLN 92 N -0.08 -0.22 -0.86 1.90 4.15 -1.05 -1.01 115.11 117.94 2dn6 h GLN 92 Ca 0.03 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.57 2dn6 h GLN 92 Cb 0.16 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.79 2dn6 h GLN 92 CO -0.22 -0.15 -0.44 0.39 -1.93 0.00 0.00 178.83 176.48 2dn6 n GLU 93 N -3.02 -0.31 0.03 1.69 -0.58 -0.11 -0.10 120.64 118.24 2dn6 n GLU 93 Ca -0.03 1.31 -0.04 0.00 -0.42 0.00 0.00 57.16 57.99 2dn6 n GLU 93 Cb 0.11 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.02 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 -0.33 -0.72 -0.32 4.06 0.07 0.29 115.95 119.00 2dn6 h TRP 94 Ca 0.20 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.27 2dn6 h TRP 94 Cb 0.42 0.14 -0.12 0.00 -1.00 0.00 0.00 29.16 28.59 2dn6 h TRP 94 CO -0.84 -0.13 -0.41 0.82 -3.56 0.00 0.00 178.44 174.32 2dn6 h ILE 95 N -0.17 0.08 -0.57 1.49 2.04 -0.05 0.20 117.51 120.53 2dn6 h ILE 95 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2dn6 h ILE 95 Cb 0.17 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 2dn6 h ILE 95 CO -0.05 0.00 0.18 1.56 0.00 0.00 0.00 178.15 179.84 2dn6 h GLN 96 N -0.14 0.33 0.65 2.37 4.20 -0.29 0.21 115.11 122.45 2dn6 h GLN 96 Ca 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2dn6 h GLN 96 Cb 0.56 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2dn6 h GLN 96 CO -0.78 0.22 -0.37 0.00 -0.67 0.00 0.00 178.83 177.23 2dn6 h ALA 97 N 1.41 -0.97 0.22 3.87 0.00 0.24 -0.72 119.26 123.31 2dn6 h ALA 97 Ca 0.29 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2dn6 h ALA 97 Cb 0.37 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2dn6 h ALA 97 CO -0.32 -1.06 -0.29 0.82 0.00 0.00 0.00 179.25 178.41 2dn6 h ILE 98 N -0.96 0.38 -0.35 0.00 2.04 -0.48 0.13 117.51 118.27 2dn6 h ILE 98 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 2dn6 h ILE 98 Cb 0.76 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 2dn6 h ILE 98 CO 0.10 0.00 -0.34 -0.74 0.00 0.00 0.00 178.15 177.17 2dn6 h HIS 99 N -0.57 -0.96 -0.10 1.37 2.76 -0.58 -1.44 115.15 115.63 2dn6 h HIS 99 Ca 0.01 0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2dn6 h HIS 99 Cb 0.55 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 29.97 2dn6 h HIS 99 CO -0.22 -0.40 -0.00 0.77 -1.30 0.00 0.00 177.93 176.78 2dn6 h SER 100 N -0.29 -0.04 -0.88 3.26 0.02 -0.90 -2.09 113.55 112.62 2dn6 h SER 100 Ca 0.15 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.36 2dn6 h SER 100 Cb 0.55 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 63.00 2dn6 h SER 100 CO -0.51 -0.01 0.31 0.74 -1.14 0.00 0.00 176.83 176.22 2dn6 h THR 101 N 0.03 0.38 -0.32 -2.27 2.02 0.13 0.11 112.91 112.99 2dn6 h THR 101 Ca 0.05 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2dn6 h THR 101 Cb 0.06 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2dn6 h THR 101 CO -0.08 0.05 -0.09 0.40 0.37 0.00 0.00 175.52 176.17 2dn6 h ILE 102 N 0.28 1.28 -0.88 3.11 2.04 -0.81 -3.11 117.51 119.43 2dn6 h ILE 102 Ca 0.56 -1.15 0.23 0.00 1.00 0.00 0.00 64.86 65.50 2dn6 h ILE 102 Cb 1.11 1.37 -0.14 0.00 -0.74 0.00 0.00 36.82 38.42 2dn6 h ILE 102 CO -0.60 0.37 0.22 -0.74 0.00 0.00 0.00 178.15 177.40 2dn6 h HIS 103 N 0.40 0.32 -0.83 1.37 2.76 -0.13 0.68 115.15 119.72 2dn6 h HIS 103 Ca 0.08 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.44 2dn6 h HIS 103 Cb 0.59 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.49 2dn6 h HIS 103 CO 0.05 -0.22 0.54 -0.07 -1.30 0.00 0.00 177.93 176.94 2dn6 h LEU 104 N 0.20 0.57 -0.34 0.26 3.38 -1.40 0.70 115.31 118.68 2dn6 h LEU 104 Ca 0.55 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.39 2dn6 h LEU 104 Cb 1.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2dn6 h LEU 104 CO -0.66 0.30 -0.77 -0.07 0.09 0.00 0.00 178.44 177.33 2dn6 h LEU 105 N 0.61 0.00 -1.00 1.67 3.38 0.23 -3.23 115.31 116.97 2dn6 h LEU 105 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2dn6 h LEU 105 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2dn6 h LEU 105 CO -0.17 0.77 0.53 0.11 0.09 0.00 0.00 178.44 179.77 2dn6 h LYS 106 N 0.00 1.22 -0.65 1.13 1.57 0.15 -2.68 116.57 117.31 2dn6 h LYS 106 Ca -0.01 -0.11 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 2dn6 h LYS 106 Cb 1.43 -0.25 -0.10 0.00 0.08 0.00 0.00 32.23 33.38 2dn6 h LYS 106 CO 0.10 0.86 0.08 -0.07 -0.57 0.00 0.00 179.45 179.84 2dn6 h LEU 107 N 1.24 -0.14 -7.94 2.94 -0.00 -1.49 -3.26 115.31 106.66 2dn6 h LEU 107 Ca 0.32 0.14 -0.71 0.00 -0.00 0.00 0.00 57.88 57.63 2dn6 h LEU 107 Cb -0.04 0.22 -0.19 0.00 -0.00 0.00 0.00 40.66 40.65 2dn6 h LEU 107 CO -0.06 -0.07 0.75 -0.83 -0.00 0.00 0.00 178.44 178.23 2dn6 s GLY 108 N -3.40 2.08 -0.01 0.83 0.00 -1.01 -5.00 107.32 100.81 2dn6 s GLY 108 Ca -0.13 -2.89 0.06 0.00 0.00 0.00 0.00 44.72 41.75 2dn6 s GLY 108 CO 0.74 1.89 -0.18 -1.35 0.00 0.00 0.00 173.10 174.20 2dn6 s SER 109 N 3.35 3.72 -0.02 1.64 1.04 -1.23 -4.98 113.70 117.21 2dn6 s SER 109 Ca 0.31 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 2dn6 s SER 109 Cb -0.05 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.39 2dn6 s SER 109 CO -0.09 0.30 1.16 -0.55 0.98 0.00 0.00 173.24 175.04 2dn6 s SER 110 N -0.98 7.11 0.00 7.02 0.15 -1.26 -4.94 113.70 120.80 2dn6 s SER 110 Ca 0.12 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.60 2dn6 s SER 110 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2dn6 s SER 110 CO 0.02 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dn6 n GLY 111 N 3.25 -1.93 1.40 9.45 0.00 -1.26 -5.18 105.19 110.92 2dn6 n GLY 111 Ca 0.10 1.03 -0.12 0.00 0.00 0.00 0.00 46.02 47.02 2dn6 n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dn6 n PRO 112 N 0.00 -1.88 -4.19 1.61 -0.04 -1.26 -4.03 135.00 125.21 2dn6 n PRO 112 Ca 0.00 -0.70 -0.36 0.00 -0.04 0.00 0.00 63.50 62.40 2dn6 n PRO 112 Cb 0.00 -0.66 -0.08 0.00 -0.04 0.00 0.00 33.50 32.73 2dn6 n PRO 112 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn6 n SER 113 N -3.75 -1.05 -4.05 3.54 3.41 -1.26 -4.88 113.62 105.58 2dn6 n SER 113 Ca 0.06 -1.12 -0.30 0.00 -0.26 0.00 0.00 58.87 57.26 2dn6 n SER 113 Cb 0.24 -1.42 0.20 0.00 -0.26 0.00 0.00 64.21 62.97 2dn6 n SER 113 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dn6 s SER 114 N -3.28 2.40 0.00 4.04 1.04 -1.26 -5.34 113.70 111.30 2dn6 s SER 114 Ca 0.57 0.42 0.15 0.00 0.48 0.00 0.00 55.95 57.57 2dn6 s SER 114 Cb -0.33 -0.55 0.12 0.00 0.10 0.00 0.00 66.02 65.36 2dn6 s SER 114 CO 0.91 -3.19 0.99 0.61 0.98 0.00 0.00 173.24 173.54