#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 h SER 2 N 0.00 0.41 -1.57 1.61 0.02 -2.03 -3.46 113.55 108.53 2dn6 h SER 2 Ca 0.00 -0.66 -0.43 0.00 -0.84 0.00 0.00 61.79 59.86 2dn6 h SER 2 Cb 0.00 -0.12 0.03 0.00 0.14 0.00 0.00 62.40 62.45 2dn6 h SER 2 CO 0.00 1.00 -0.20 -0.44 -1.14 0.00 0.00 176.83 176.06 2dn6 s SER 3 N -6.42 5.51 0.00 3.07 0.01 -1.26 -4.71 113.70 109.90 2dn6 s SER 3 Ca -0.14 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2dn6 s SER 3 Cb 0.04 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2dn6 s SER 3 CO 0.78 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dn6 n GLY 4 N -2.00 3.26 3.90 3.44 0.00 -1.26 -5.09 105.19 107.44 2dn6 n GLY 4 Ca 0.09 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2dn6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn6 s SER 5 N 0.00 4.61 -0.54 1.61 0.01 -1.26 -5.05 113.70 113.08 2dn6 s SER 5 Ca 0.00 0.79 0.03 0.00 1.31 0.00 0.00 55.95 58.08 2dn6 s SER 5 Cb 0.00 -1.32 0.14 0.00 0.21 0.00 0.00 66.02 65.04 2dn6 s SER 5 CO 0.00 -1.84 0.29 -0.44 0.41 0.00 0.00 173.24 171.66 2dn6 s SER 6 N -4.56 4.48 0.00 2.44 0.01 -1.26 -4.97 113.70 109.85 2dn6 s SER 6 Ca 0.62 -2.98 0.00 0.00 1.31 0.00 0.00 55.95 54.90 2dn6 s SER 6 Cb -0.11 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2dn6 s SER 6 CO 0.49 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dn6 n GLY 7 N 3.18 0.72 3.66 3.44 0.00 -1.26 -5.09 105.19 109.85 2dn6 n GLY 7 Ca 0.06 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 0.06 -0.01 1.61 3.14 -1.26 -4.23 118.33 117.64 2dn6 n VAL 8 Ca 0.00 -0.01 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 2dn6 n VAL 8 Cb 0.00 -1.42 -0.14 0.00 -1.06 0.00 0.00 33.84 31.22 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 6.00 0.31 -8.64 6.55 3.38 -0.68 -3.48 115.31 118.75 2dn6 h LEU 9 Ca -0.46 -0.85 -0.42 0.00 0.09 0.00 0.00 57.88 56.25 2dn6 h LEU 9 Cb 1.27 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.75 2dn6 h LEU 9 CO 0.87 1.48 -0.75 -0.75 0.09 0.00 0.00 178.44 179.38 2dn6 s LYS 10 N -2.42 1.06 -0.24 1.13 2.20 -1.21 -4.91 119.74 115.35 2dn6 s LYS 10 Ca -0.20 -1.29 -0.16 0.00 -0.36 0.00 0.00 55.97 53.97 2dn6 s LYS 10 Cb 0.03 -0.92 0.07 0.00 -1.51 0.00 0.00 37.83 35.51 2dn6 s LYS 10 CO 0.75 0.17 0.61 1.14 -0.36 0.00 0.00 175.35 177.66 2dn6 s GLN 11 N -2.84 0.64 -0.02 4.03 -2.07 -1.26 -1.95 119.66 116.19 2dn6 s GLN 11 Ca 0.11 1.05 -0.30 0.00 -1.82 0.00 0.00 55.36 54.40 2dn6 s GLN 11 Cb -0.04 0.15 0.12 0.00 -1.09 0.00 0.00 33.01 32.14 2dn6 s GLN 11 CO 0.03 -0.14 1.23 0.20 -1.32 0.00 0.00 175.29 175.29 2dn6 s GLY 12 N 1.31 -0.38 -0.46 2.60 0.00 -1.21 -5.03 107.32 104.16 2dn6 s GLY 12 Ca -0.08 0.76 -0.25 0.00 0.00 0.00 0.00 44.72 45.15 2dn6 s GLY 12 CO -0.14 0.17 0.88 -0.19 0.00 0.00 0.00 173.10 173.82 2dn6 s TYR 13 N -2.54 2.94 0.23 1.90 2.02 -1.26 -2.42 117.35 118.23 2dn6 s TYR 13 Ca 0.13 0.33 0.11 0.00 -0.37 0.00 0.00 57.07 57.27 2dn6 s TYR 13 Cb 0.03 -3.88 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 2dn6 s TYR 13 CO -0.03 -1.06 -0.20 -1.64 -1.57 0.00 0.00 175.55 171.04 2dn6 s MET 14 N 3.62 1.54 -0.35 -0.62 -1.94 -1.15 -4.81 119.30 115.59 2dn6 s MET 14 Ca 0.35 -1.64 -0.10 0.00 -1.71 0.00 0.00 55.69 52.59 2dn6 s MET 14 Cb -0.11 -1.64 0.02 0.00 2.01 0.00 0.00 34.83 35.11 2dn6 s MET 14 CO 0.25 0.32 0.18 -1.64 -0.01 0.00 0.00 175.02 174.12 2dn6 s MET 15 N -3.24 2.96 -0.18 2.03 1.00 -1.12 0.13 119.30 120.88 2dn6 s MET 15 Ca 0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 55.69 54.83 2dn6 s MET 15 Cb -0.05 -3.65 -0.05 0.00 0.00 0.00 0.00 34.83 31.08 2dn6 s MET 15 CO 0.12 -0.61 0.25 0.21 0.00 0.00 0.00 175.02 174.99 2dn6 s LYS 16 N 1.56 4.22 -0.33 2.03 2.20 -1.12 0.26 119.74 128.56 2dn6 s LYS 16 Ca 0.02 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 2dn6 s LYS 16 Cb -0.19 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2dn6 s LYS 16 CO 0.06 0.21 1.66 0.21 -0.36 0.00 0.00 175.35 177.14 2dn6 s LYS 17 N 0.56 3.48 0.00 4.03 2.20 0.02 -3.95 119.74 126.08 2dn6 s LYS 17 Ca 0.14 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 2dn6 s LYS 17 Cb -0.13 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2dn6 s LYS 17 CO 0.03 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 173.75 2dn6 n GLY 18 N 5.21 -2.96 0.80 5.54 0.00 -1.25 -4.65 105.19 107.89 2dn6 n GLY 18 Ca 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2dn6 n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2dn6 n HIS 19 N 0.00 0.00 -0.40 1.61 -0.00 -1.26 -5.03 115.22 110.14 2dn6 n HIS 19 Ca 0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2dn6 n HIS 19 Cb 0.00 0.11 0.22 0.00 -0.12 0.00 0.00 29.99 30.20 2dn6 n HIS 19 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dn6 n ARG 20 N -2.53 -3.36 -0.91 1.57 3.00 -1.26 -4.89 116.66 108.28 2dn6 n ARG 20 Ca 0.00 -0.99 -0.35 0.00 -0.01 0.00 0.00 57.85 56.49 2dn6 n ARG 20 Cb 0.31 -1.72 0.07 0.00 0.00 0.00 0.00 32.46 31.13 2dn6 n ARG 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dn6 n ARG 21 N -3.70 -0.24 -1.25 5.56 3.00 -1.26 -4.55 116.66 114.23 2dn6 n ARG 21 Ca 0.09 -0.06 -0.49 0.00 -0.01 0.00 0.00 57.85 57.38 2dn6 n ARG 21 Cb 0.48 -1.29 -0.07 0.00 0.00 0.00 0.00 32.46 31.58 2dn6 n ARG 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2dn6 n LYS 22 N 0.96 0.00 -3.25 5.56 2.85 -1.26 -4.89 118.16 118.12 2dn6 n LYS 22 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 2dn6 n LYS 22 Cb 0.60 -1.09 -0.03 0.00 -0.65 0.00 0.00 35.03 33.86 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 2.31 -0.34 0.03 -5.58 4.22 -1.26 -5.15 114.94 109.17 2dn6 s ASN 23 Ca 0.77 0.39 0.01 0.00 -2.14 0.00 0.00 52.86 51.88 2dn6 s ASN 23 Cb -1.09 1.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.76 2dn6 s ASN 23 CO 0.59 -0.06 0.11 0.26 -2.04 0.00 0.00 177.10 175.95 2dn6 s TRP 24 N 2.43 3.30 -0.03 1.54 0.52 -1.26 -3.84 118.94 121.60 2dn6 s TRP 24 Ca -0.01 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.29 2dn6 s TRP 24 Cb -0.05 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.59 2dn6 s TRP 24 CO -0.15 0.55 0.02 0.95 0.02 0.00 0.00 176.95 178.34 2dn6 s THR 25 N -1.31 0.05 -0.48 2.01 -4.23 -1.25 -5.01 115.64 105.41 2dn6 s THR 25 Ca 0.27 0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.69 2dn6 s THR 25 Cb -0.12 -0.19 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 2dn6 s THR 25 CO 0.19 0.13 1.64 -0.70 -0.54 0.00 0.00 174.62 175.33 2dn6 s GLU 26 N 1.23 3.18 -0.07 3.99 2.12 -1.26 -2.77 118.70 125.12 2dn6 s GLU 26 Ca -0.07 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.15 2dn6 s GLU 26 Cb -0.13 -4.20 -0.00 0.00 0.26 0.00 0.00 34.13 30.06 2dn6 s GLU 26 CO -0.03 -2.06 -0.21 1.03 -0.54 0.00 0.00 175.26 173.46 2dn6 s ARG 27 N 5.85 2.43 0.27 4.30 1.81 0.12 -4.91 118.95 128.82 2dn6 s ARG 27 Ca 0.65 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.62 2dn6 s ARG 27 Cb -0.15 -1.95 -0.11 0.00 -0.45 0.00 0.00 34.95 32.29 2dn6 s ARG 27 CO 0.28 0.21 1.58 -0.46 -0.68 0.00 0.00 175.30 176.22 2dn6 s TRP 28 N 0.23 2.83 -0.07 -0.53 -0.11 0.10 -2.91 118.94 118.47 2dn6 s TRP 28 Ca -0.12 0.78 0.05 0.00 1.22 0.00 0.00 56.10 58.03 2dn6 s TRP 28 Cb -0.15 -4.02 -0.01 0.00 -1.50 0.00 0.00 33.47 27.78 2dn6 s TRP 28 CO 0.05 -3.48 -0.23 -0.06 -4.62 0.00 0.00 176.95 168.61 2dn6 s PHE 29 N 0.16 2.51 -0.44 5.86 0.40 -1.01 -0.05 117.98 125.41 2dn6 s PHE 29 Ca 0.64 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2dn6 s PHE 29 Cb -0.47 -1.64 0.12 0.00 0.51 0.00 0.00 43.02 41.54 2dn6 s PHE 29 CO 0.45 -0.22 0.18 0.08 0.70 0.00 0.00 175.22 176.41 2dn6 s VAL 30 N -0.08 2.67 -0.47 -0.44 1.01 0.31 -3.31 120.40 120.09 2dn6 s VAL 30 Ca -0.06 -2.69 -0.28 0.00 0.00 0.00 0.00 61.98 58.96 2dn6 s VAL 30 Cb -0.14 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 2dn6 s VAL 30 CO 0.04 -0.71 1.59 -0.22 0.00 0.00 0.00 175.10 175.81 2dn6 s LEU 31 N 0.45 3.45 0.48 3.92 2.96 -0.82 -1.95 118.68 127.18 2dn6 s LEU 31 Ca 0.13 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2dn6 s LEU 31 Cb -0.22 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 2dn6 s LEU 31 CO -0.04 -1.76 0.74 -0.54 -1.32 0.00 0.00 176.35 173.43 2dn6 s LYS 32 N 5.68 3.13 0.41 1.98 -0.14 0.81 0.07 119.74 131.68 2dn6 s LYS 32 Ca 0.64 -0.24 0.20 0.00 -1.36 0.00 0.00 55.97 55.21 2dn6 s LYS 32 Cb -0.15 -2.46 0.87 0.00 -1.68 0.00 0.00 37.83 34.41 2dn6 s LYS 32 CO 0.28 -0.34 1.83 -1.00 -0.76 0.00 0.00 175.35 175.36 2dn6 h PRO 33 N 0.24 0.00 0.00 -1.68 0.13 -1.95 -3.25 132.00 125.49 2dn6 h PRO 33 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.59 0.31 -0.76 0.09 -0.23 0.00 0.00 178.00 178.00 2dn6 n ASN 34 N -3.65 1.01 0.00 1.44 4.13 -1.26 -4.79 115.26 112.14 2dn6 n ASN 34 Ca -0.01 -2.42 0.00 0.00 1.68 0.00 0.00 54.58 53.83 2dn6 n ASN 34 Cb 0.43 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 2dn6 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dn6 n ILE 35 N -0.03 0.00 -3.38 2.41 3.06 -1.23 -4.06 119.36 116.13 2dn6 n ILE 35 Ca 0.08 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.20 2dn6 n ILE 35 Cb 0.94 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 41.03 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 -0.51 -0.07 9.51 1.01 -1.18 -0.13 121.20 127.83 2dn6 s ILE 36 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.43 2dn6 s ILE 36 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 2dn6 s ILE 36 CO 0.00 -0.27 -0.15 -0.44 0.00 0.00 0.00 174.94 174.08 2dn6 s SER 37 N 2.46 3.95 -0.14 3.58 0.01 -0.82 -1.36 113.70 121.37 2dn6 s SER 37 Ca 0.10 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2dn6 s SER 37 Cb -0.14 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 65.11 2dn6 s SER 37 CO -0.23 0.30 -0.21 -0.72 0.41 0.00 0.00 173.24 172.79 2dn6 s TYR 38 N -0.48 2.59 0.26 2.43 1.13 -1.25 0.12 117.35 122.15 2dn6 s TYR 38 Ca 0.06 -1.33 0.05 0.00 -1.41 0.00 0.00 57.07 54.44 2dn6 s TYR 38 Cb -0.12 -1.77 -0.02 0.00 -1.10 0.00 0.00 41.96 38.94 2dn6 s TYR 38 CO 0.02 -0.62 0.39 0.71 -2.51 0.00 0.00 175.55 173.53 2dn6 s TYR 39 N 0.91 3.36 0.26 -3.49 1.51 0.93 -2.86 117.35 117.97 2dn6 s TYR 39 Ca -0.05 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2dn6 s TYR 39 Cb -0.15 -1.68 0.55 0.00 -0.11 0.00 0.00 41.96 40.57 2dn6 s TYR 39 CO -0.03 0.32 1.73 0.28 -1.11 0.00 0.00 175.55 176.74 2dn6 h VAL 40 N 1.10 0.63 -3.64 0.71 2.07 -1.78 0.33 116.25 115.67 2dn6 h VAL 40 Ca -0.50 -0.17 -0.27 0.00 0.82 0.00 0.00 66.70 66.58 2dn6 h VAL 40 Cb 1.24 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2dn6 h VAL 40 CO 0.59 0.09 -0.25 -1.20 0.02 0.00 0.00 177.57 176.81 2dn6 n SER 41 N -4.98 -0.11 -1.46 0.57 7.64 -1.26 -3.50 113.62 110.52 2dn6 n SER 41 Ca 0.17 -2.19 -0.06 0.00 1.01 0.00 0.00 58.87 57.81 2dn6 n SER 41 Cb 0.48 0.85 0.02 0.00 -1.01 0.00 0.00 64.21 64.55 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 -0.37 1.28 -0.09 1.43 0.28 -1.26 -3.70 120.64 118.21 2dn6 n GLU 42 Ca 0.03 -0.59 -0.09 0.00 -0.16 0.00 0.00 57.16 56.35 2dn6 n GLU 42 Cb 0.33 -1.23 -0.13 0.00 1.43 0.00 0.00 31.44 31.84 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 0.66 0.95 -2.58 -1.84 8.00 -1.26 -5.03 116.55 115.46 2dn6 n ASP 43 Ca 0.11 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2dn6 n ASP 43 Cb 0.61 0.77 0.06 0.00 -0.02 0.00 0.00 41.12 42.54 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dn6 n LEU 44 N -2.70 -3.15 -0.00 0.64 4.77 -1.24 -4.94 117.00 110.37 2dn6 n LEU 44 Ca -0.29 -0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 55.29 2dn6 n LEU 44 Cb 1.04 -2.21 -0.00 0.00 -2.33 0.00 0.00 43.42 39.92 2dn6 n LEU 44 CO 0.35 0.34 -0.53 0.29 -1.33 0.00 0.00 177.39 176.51 2dn6 n LYS 45 N -3.27 0.02 -3.64 3.23 5.02 -1.26 -4.93 118.16 113.34 2dn6 n LYS 45 Ca -0.10 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 2dn6 n LYS 45 Cb 0.58 -0.89 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 2dn6 n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dn6 s ASP 46 N -4.35 5.55 0.66 4.39 1.01 -1.26 -5.08 116.67 117.59 2dn6 s ASP 46 Ca -0.01 -2.67 -0.15 0.00 0.71 0.00 0.00 52.55 50.43 2dn6 s ASP 46 Cb 0.00 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2dn6 s ASP 46 CO 0.02 -0.45 1.11 -0.75 0.21 0.00 0.00 175.17 175.30 2dn6 s LYS 47 N 0.21 2.79 -0.08 8.23 2.20 -1.26 -2.80 119.74 129.04 2dn6 s LYS 47 Ca 0.15 1.37 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 2dn6 s LYS 47 Cb -0.19 -1.95 -0.07 0.00 -1.51 0.00 0.00 37.83 34.11 2dn6 s LYS 47 CO -0.04 -1.25 -0.05 1.63 -0.36 0.00 0.00 175.35 175.28 2dn6 n LYS 48 N -2.47 1.02 -3.09 4.03 4.76 -1.13 -4.89 118.16 116.39 2dn6 n LYS 48 Ca 0.10 0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.60 2dn6 n LYS 48 Cb 0.52 -1.18 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 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 2.93 0.29 2.96 0.72 0.00 -1.26 -5.06 105.19 105.76 2dn6 n GLY 49 Ca -0.14 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.61 -0.09 -0.64 1.61 -4.77 -1.26 -3.86 116.67 105.05 2dn6 s ASP 50 Ca 0.17 0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.58 2dn6 s ASP 50 Cb -0.00 0.17 0.16 0.00 -1.09 0.00 0.00 42.92 42.17 2dn6 s ASP 50 CO -0.01 -0.04 0.45 -0.63 0.70 0.00 0.00 175.17 175.64 2dn6 s ILE 51 N 0.11 3.66 -0.35 2.11 1.01 -0.46 -4.98 121.20 122.30 2dn6 s ILE 51 Ca -0.01 -3.09 -0.36 0.00 0.00 0.00 0.00 60.65 57.19 2dn6 s ILE 51 Cb -0.01 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 2dn6 s ILE 51 CO -0.00 -0.89 2.13 0.18 0.00 0.00 0.00 174.94 176.36 2dn6 n LEU 52 N 3.33 2.08 -4.71 2.97 4.77 -1.26 -3.09 117.00 121.09 2dn6 n LEU 52 Ca 0.09 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 2dn6 n LEU 52 Cb 0.37 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 2dn6 n LEU 52 CO 0.34 -0.68 0.86 -0.76 -1.33 0.00 0.00 177.39 175.81 2dn6 s LEU 53 N 6.75 4.34 -0.03 2.23 1.43 -1.26 -4.95 118.68 127.19 2dn6 s LEU 53 Ca 1.09 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 56.02 2dn6 s LEU 53 Cb -0.93 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 41.73 2dn6 s LEU 53 CO 0.52 -0.46 0.14 -1.81 0.23 0.00 0.00 176.35 174.97 2dn6 s ASP 54 N 1.16 -0.08 0.31 2.29 1.11 -1.26 -4.86 116.67 115.34 2dn6 s ASP 54 Ca 0.56 0.11 0.22 0.00 0.18 0.00 0.00 52.55 53.63 2dn6 s ASP 54 Cb -0.26 0.26 1.08 0.00 1.07 0.00 0.00 42.92 45.07 2dn6 s ASP 54 CO 0.27 -0.16 1.15 -1.84 1.18 0.00 0.00 175.17 175.77 2dn6 n GLU 55 N 2.46 -0.03 0.25 8.23 0.28 -1.26 0.13 120.64 130.71 2dn6 n GLU 55 Ca -0.16 0.94 -0.16 0.00 -0.16 0.00 0.00 57.16 57.62 2dn6 n GLU 55 Cb 0.58 -1.82 -0.08 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 -0.52 -3.26 -1.84 2.35 -1.95 -3.44 115.58 106.92 2dn6 h ASN 56 Ca 0.64 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 55.80 2dn6 h ASN 56 Cb 2.01 0.13 0.18 0.00 0.05 0.00 0.00 38.32 40.70 2dn6 h ASN 56 CO -0.38 -0.30 -0.26 0.00 -1.65 0.00 0.00 177.43 174.84 2dn6 s VAL 59 N -3.67 2.02 0.22 0.00 0.11 -1.26 -0.31 120.40 117.51 2dn6 s VAL 59 Ca 0.07 -1.37 0.03 0.00 -2.93 0.00 0.00 61.98 57.78 2dn6 s VAL 59 Cb -0.03 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.03 2dn6 s VAL 59 CO -0.03 0.30 0.01 -1.61 -3.33 0.00 0.00 175.10 170.44 2dn6 s GLU 60 N -1.29 1.28 -0.27 1.54 2.02 0.55 -4.96 118.70 117.56 2dn6 s GLU 60 Ca 0.11 -1.64 -0.07 0.00 0.02 0.00 0.00 54.97 53.38 2dn6 s GLU 60 Cb -0.10 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.63 2dn6 s GLU 60 CO 0.02 -0.12 0.08 0.45 0.02 0.00 0.00 175.26 175.71 2dn6 s SER 61 N -3.27 5.12 -0.09 -0.19 0.15 -1.26 -1.67 113.70 112.48 2dn6 s SER 61 Ca 0.28 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 2dn6 s SER 61 Cb 0.06 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2dn6 s SER 61 CO 0.08 -0.11 0.12 -0.76 1.20 0.00 0.00 173.24 173.76 2dn6 s LEU 62 N 1.56 4.20 0.00 3.45 1.43 0.21 -4.93 118.68 124.60 2dn6 s LEU 62 Ca 0.05 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2dn6 s LEU 62 Cb -0.16 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2dn6 s LEU 62 CO 0.03 0.37 0.00 -0.81 0.23 0.00 0.00 176.35 176.17 2dn6 n PRO 63 N 1.80 -0.60 -3.01 1.29 -0.04 -1.26 -2.54 135.00 130.63 2dn6 n PRO 63 Ca -0.18 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 2dn6 n PRO 63 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 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 6.82 0.03 3.54 1.01 -1.26 -4.47 116.67 120.82 2dn6 s ASP 64 Ca 0.00 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.26 2dn6 s ASP 64 Cb 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.53 2dn6 s ASP 64 CO 0.00 -0.33 0.00 2.29 0.21 0.00 0.00 175.17 177.34 2dn6 n LYS 65 N 5.10 0.00 -3.29 8.23 2.85 -1.26 -4.89 118.16 124.90 2dn6 n LYS 65 Ca 0.01 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.89 2dn6 n LYS 65 Cb 0.49 -0.48 -0.03 0.00 -0.65 0.00 0.00 35.03 34.36 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 -3.11 5.26 -4.13 -5.58 9.92 -1.26 -4.82 116.55 112.84 2dn6 n ASP 66 Ca 0.00 -3.30 -0.30 0.00 -0.53 0.00 0.00 54.79 50.67 2dn6 n ASP 66 Cb 0.36 -1.12 -0.08 0.00 -0.64 0.00 0.00 41.12 39.64 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dn6 n GLY 67 N 1.66 -0.15 3.31 0.44 0.00 -1.26 -4.90 105.19 104.28 2dn6 n GLY 67 Ca 0.25 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.07 0.71 -3.75 1.61 4.76 -1.26 -5.17 118.16 110.99 2dn6 n LYS 68 Ca -0.21 -3.38 -0.13 0.00 -2.87 0.00 0.00 58.31 51.71 2dn6 n LYS 68 Cb 0.58 1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 35.05 2dn6 n LYS 68 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dn6 s LYS 69 N -3.60 0.54 -1.06 1.97 0.00 -1.26 -4.58 119.74 111.75 2dn6 s LYS 69 Ca 0.10 0.23 -0.03 0.00 0.00 0.00 0.00 55.97 56.27 2dn6 s LYS 69 Cb 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 37.83 38.05 2dn6 s LYS 69 CO 0.07 -0.11 0.91 0.00 0.00 0.00 0.00 175.35 176.22 2dn6 s LEU 71 N -5.70 4.37 -0.15 0.00 1.43 -1.05 -2.92 118.68 114.66 2dn6 s LEU 71 Ca 0.21 1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 54.44 2dn6 s LEU 71 Cb -0.03 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.94 2dn6 s LEU 71 CO 0.69 0.11 0.37 0.72 0.23 0.00 0.00 176.35 178.47 2dn6 s PHE 72 N -1.42 -0.52 0.17 0.29 -0.12 -1.10 0.65 117.98 115.92 2dn6 s PHE 72 Ca 0.38 1.14 0.11 0.00 -0.05 0.00 0.00 56.93 58.51 2dn6 s PHE 72 Cb -0.16 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2dn6 s PHE 72 CO 0.20 -0.30 -0.24 -1.17 -0.05 0.00 0.00 175.22 173.65 2dn6 s LEU 73 N 1.25 2.42 -0.15 -1.99 0.20 -0.67 -2.10 118.68 117.65 2dn6 s LEU 73 Ca -0.09 -0.81 -0.02 0.00 0.69 0.00 0.00 54.13 53.90 2dn6 s LEU 73 Cb -0.08 -1.21 -0.02 0.00 -0.43 0.00 0.00 46.19 44.44 2dn6 s LEU 73 CO -0.10 0.14 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.32 2dn6 s VAL 74 N -1.46 3.42 -0.23 1.68 1.01 0.79 -0.33 120.40 125.28 2dn6 s VAL 74 Ca 0.19 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2dn6 s VAL 74 Cb -0.09 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2dn6 s VAL 74 CO 0.09 0.50 0.07 -0.54 0.00 0.00 0.00 175.10 175.21 2dn6 s LYS 75 N 0.53 3.74 0.50 2.72 1.02 0.58 -1.72 119.74 127.10 2dn6 s LYS 75 Ca -0.06 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2dn6 s LYS 75 Cb -0.15 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2dn6 s LYS 75 CO 0.03 -0.07 0.12 0.00 -0.92 0.00 0.00 175.35 174.52 2dn6 n PHE 77 N -1.35 0.00 0.00 0.00 3.72 -1.26 -3.99 117.46 114.57 2dn6 n PHE 77 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2dn6 n PHE 77 Cb 0.66 -0.23 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 -2.37 3.46 -4.89 4.37 9.92 -1.26 -5.07 116.55 120.71 2dn6 n ASP 78 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 2dn6 n ASP 78 Cb 0.00 0.43 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 2dn6 n ASP 78 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2dn6 s LYS 79 N -1.62 3.60 0.04 -1.24 -2.85 -1.26 -5.10 119.74 111.31 2dn6 s LYS 79 Ca 0.00 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 2dn6 s LYS 79 Cb 0.00 -2.33 -0.03 0.00 -2.06 0.00 0.00 37.83 33.41 2dn6 s LYS 79 CO 0.00 -0.23 -0.04 0.95 0.10 0.00 0.00 175.35 176.13 2dn6 s THR 80 N -2.74 0.27 -0.11 3.79 -4.23 -1.26 -1.58 115.64 109.79 2dn6 s THR 80 Ca 0.49 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 2dn6 s THR 80 Cb -0.10 -0.83 0.05 0.00 1.34 0.00 0.00 72.50 72.96 2dn6 s THR 80 CO 0.44 -0.66 0.09 -0.36 -0.54 0.00 0.00 174.62 173.58 2dn6 s PHE 81 N -2.38 0.09 -0.25 3.99 0.40 -0.70 -5.01 117.98 114.11 2dn6 s PHE 81 Ca -0.06 0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.20 2dn6 s PHE 81 Cb -0.03 -0.55 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 2dn6 s PHE 81 CO -0.04 -0.36 0.15 -2.00 0.70 0.00 0.00 175.22 173.67 2dn6 s GLU 82 N 2.17 3.94 0.01 0.44 -6.30 -1.26 -0.15 118.70 117.55 2dn6 s GLU 82 Ca 0.04 -0.33 0.05 0.00 -2.50 0.00 0.00 54.97 52.22 2dn6 s GLU 82 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 34.13 30.46 2dn6 s GLU 82 CO -0.06 -0.05 -0.14 0.42 0.02 0.00 0.00 175.26 175.44 2dn6 s ILE 83 N 1.35 1.11 -0.16 -3.70 1.01 -0.89 -0.80 121.20 119.12 2dn6 s ILE 83 Ca 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 2dn6 s ILE 83 Cb -0.15 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2dn6 s ILE 83 CO 0.06 0.22 -0.03 -0.55 0.00 0.00 0.00 174.94 174.65 2dn6 s SER 84 N -0.58 4.84 0.50 3.58 0.15 0.14 -2.73 113.70 119.61 2dn6 s SER 84 Ca 0.04 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 2dn6 s SER 84 Cb -0.06 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 2dn6 s SER 84 CO 0.00 0.15 0.84 0.00 1.20 0.00 0.00 173.24 175.43 2dn6 s ALA 85 N 0.48 3.32 -0.17 5.45 0.00 -1.15 -2.80 121.76 126.89 2dn6 s ALA 85 Ca -0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 2dn6 s ALA 85 Cb -0.14 -2.72 -0.23 0.00 0.00 0.00 0.00 23.12 20.02 2dn6 s ALA 85 CO 0.03 -0.36 0.54 0.66 0.00 0.00 0.00 175.76 176.62 2dn6 h SER 86 N 0.30 0.01 -4.36 0.00 4.64 -1.87 -3.45 113.55 108.81 2dn6 h SER 86 Ca -0.46 -0.80 -0.33 0.00 -0.47 0.00 0.00 61.79 59.73 2dn6 h SER 86 Cb 1.20 -0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 2dn6 h SER 86 CO 0.62 1.21 -0.65 -1.81 -0.87 0.00 0.00 176.83 175.33 2dn6 s ASP 87 N -6.49 1.35 0.27 4.97 1.11 -1.26 -5.00 116.67 111.61 2dn6 s ASP 87 Ca -0.23 -1.25 -0.00 0.00 0.18 0.00 0.00 52.55 51.25 2dn6 s ASP 87 Cb 0.01 0.11 0.55 0.00 1.07 0.00 0.00 42.92 44.66 2dn6 s ASP 87 CO 0.65 -0.60 1.77 0.50 1.18 0.00 0.00 175.17 178.67 2dn6 h LYS 88 N 2.55 0.67 0.12 8.23 3.11 -1.95 -1.03 116.57 128.27 2dn6 h LYS 88 Ca -0.37 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.44 2dn6 h LYS 88 Cb 1.22 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 32.25 2dn6 h LYS 88 CO 0.63 0.44 -0.53 -0.22 -2.81 0.00 0.00 179.45 176.96 2dn6 h LYS 89 N 0.69 -0.73 0.82 1.90 3.64 -1.99 -1.32 116.57 119.58 2dn6 h LYS 89 Ca 0.48 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.87 2dn6 h LYS 89 Cb 0.65 0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2dn6 h LYS 89 CO -0.35 -0.49 -0.42 0.87 -2.27 0.00 0.00 179.45 176.79 2dn6 h LYS 90 N -0.76 -1.10 -0.75 1.90 6.56 -1.84 0.21 116.57 120.79 2dn6 h LYS 90 Ca -0.01 0.08 0.10 0.00 -1.06 0.00 0.00 60.65 59.76 2dn6 h LYS 90 Cb 0.76 0.25 -0.11 0.00 -0.57 0.00 0.00 32.23 32.56 2dn6 h LYS 90 CO -0.29 -0.73 -0.34 1.17 -2.06 0.00 0.00 179.45 177.20 2dn6 n LYS 91 N -5.16 -0.22 0.12 3.15 0.00 -0.44 0.80 118.16 116.41 2dn6 n LYS 91 Ca -0.14 1.14 -0.05 0.00 0.00 0.00 0.00 58.31 59.26 2dn6 n LYS 91 Cb 0.46 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.77 2dn6 n LYS 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2dn6 h GLN 92 N 0.00 -0.32 -1.22 1.64 5.75 -1.16 -2.13 115.11 117.66 2dn6 h GLN 92 Ca 0.22 0.02 0.35 0.00 -0.15 0.00 0.00 58.65 59.09 2dn6 h GLN 92 Cb 0.40 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 2dn6 h GLN 92 CO -0.73 -0.22 1.24 0.93 -2.65 0.00 0.00 178.83 177.40 2dn6 h GLU 93 N -0.55 0.00 0.00 1.69 5.08 0.27 0.29 114.58 121.36 2dn6 h GLU 93 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2dn6 h GLU 93 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dn6 h GLU 93 CO 0.06 0.00 -0.03 -1.49 -1.00 0.00 0.00 179.01 176.55 2dn6 h TRP 94 N 0.00 0.00 -0.76 4.33 4.06 0.46 -2.88 115.95 121.15 2dn6 h TRP 94 Ca 0.58 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.62 2dn6 h TRP 94 Cb 3.05 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 31.14 2dn6 h TRP 94 CO 0.00 0.18 0.41 0.82 -3.56 0.00 0.00 178.44 176.29 2dn6 h ILE 95 N -1.00 0.89 -0.82 1.49 2.04 0.15 0.97 117.51 121.23 2dn6 h ILE 95 Ca -0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 2dn6 h ILE 95 Cb 0.19 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2dn6 h ILE 95 CO -0.00 0.13 0.36 1.56 0.00 0.00 0.00 178.15 180.19 2dn6 h GLN 96 N 0.70 1.21 0.06 2.37 1.08 -1.00 0.46 115.11 119.99 2dn6 h GLN 96 Ca 0.37 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2dn6 h GLN 96 Cb 0.35 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2dn6 h GLN 96 CO -0.25 0.96 -0.03 0.00 -0.95 0.00 0.00 178.83 178.56 2dn6 h ALA 97 N 1.20 -0.07 0.48 3.87 0.00 -1.03 -2.51 119.26 121.19 2dn6 h ALA 97 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2dn6 h ALA 97 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dn6 h ALA 97 CO -0.03 -0.34 -0.23 0.82 0.00 0.00 0.00 179.25 179.47 2dn6 h ILE 98 N -0.48 0.53 -0.42 0.00 2.04 -0.77 -0.59 117.51 117.82 2dn6 h ILE 98 Ca -0.01 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2dn6 h ILE 98 Cb 0.43 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 2dn6 h ILE 98 CO 0.01 0.00 -0.34 -0.74 0.00 0.00 0.00 178.15 177.09 2dn6 h HIS 99 N -0.66 -0.94 -0.47 1.37 2.76 -0.99 -0.82 115.15 115.40 2dn6 h HIS 99 Ca -0.07 0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2dn6 h HIS 99 Cb 0.50 0.48 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 2dn6 h HIS 99 CO -0.04 -0.39 0.25 0.77 -1.30 0.00 0.00 177.93 177.22 2dn6 h SER 100 N -0.25 0.38 -0.92 3.26 0.02 -1.36 -1.52 113.55 113.15 2dn6 h SER 100 Ca 0.17 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.33 2dn6 h SER 100 Cb 0.55 -0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.92 2dn6 h SER 100 CO -0.56 0.27 0.48 0.74 -1.14 0.00 0.00 176.83 176.62 2dn6 h THR 101 N 0.50 0.62 -0.15 -2.27 2.02 0.28 -0.95 112.91 112.96 2dn6 h THR 101 Ca 0.20 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2dn6 h THR 101 Cb 0.08 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2dn6 h THR 101 CO -0.13 0.11 -0.34 0.40 0.37 0.00 0.00 175.52 175.93 2dn6 h ILE 102 N 0.58 1.36 -1.00 3.11 2.04 -0.64 -3.19 117.51 119.77 2dn6 h ILE 102 Ca 0.54 -1.61 0.27 0.00 1.00 0.00 0.00 64.86 65.06 2dn6 h ILE 102 Cb 0.91 2.01 -0.13 0.00 -0.74 0.00 0.00 36.82 38.86 2dn6 h ILE 102 CO -0.43 0.48 0.58 -0.74 0.00 0.00 0.00 178.15 178.05 2dn6 h HIS 103 N 0.12 0.98 -0.15 1.37 2.76 -0.20 0.78 115.15 120.81 2dn6 h HIS 103 Ca -0.00 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2dn6 h HIS 103 Cb 0.95 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 2dn6 h HIS 103 CO 0.10 -0.01 0.10 -0.07 -1.30 0.00 0.00 177.93 176.76 2dn6 h LEU 104 N 0.51 0.09 -0.46 0.26 3.38 -1.42 -0.84 115.31 116.83 2dn6 h LEU 104 Ca 0.67 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.47 2dn6 h LEU 104 Cb 1.35 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2dn6 h LEU 104 CO -0.51 0.06 -0.77 -0.07 0.09 0.00 0.00 178.44 177.24 2dn6 h LEU 105 N 0.11 0.01 -0.40 1.67 3.38 0.46 -3.25 115.31 117.29 2dn6 h LEU 105 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dn6 h LEU 105 Cb 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2dn6 h LEU 105 CO -0.01 0.78 0.22 0.11 0.09 0.00 0.00 178.44 179.64 2dn6 h LYS 106 N 0.01 0.55 -0.88 1.13 1.57 -0.77 -2.85 116.57 115.33 2dn6 h LYS 106 Ca -0.01 -0.06 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 2dn6 h LYS 106 Cb 1.36 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 2dn6 h LYS 106 CO 0.10 0.44 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.31 2dn6 h LEU 107 N 0.52 -0.51 0.00 2.94 -0.00 -1.56 -3.46 115.31 113.24 2dn6 h LEU 107 Ca 0.14 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2dn6 h LEU 107 Cb 0.04 0.45 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2dn6 h LEU 107 CO -0.02 -0.27 0.00 0.61 -0.00 0.00 0.00 178.44 178.75 2dn6 n GLY 108 N -1.49 -1.19 3.86 0.83 0.00 -1.07 -5.03 105.19 101.10 2dn6 n GLY 108 Ca 0.17 0.71 -0.28 0.00 0.00 0.00 0.00 46.02 46.62 2dn6 n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn6 n SER 109 N 0.00 -4.28 -4.18 1.61 7.64 -1.26 -4.84 113.62 108.30 2dn6 n SER 109 Ca 0.00 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.00 2dn6 n SER 109 Cb 0.00 -3.99 -0.10 0.00 -1.01 0.00 0.00 64.21 59.11 2dn6 n SER 109 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn6 s SER 110 N -3.50 0.62 0.00 6.43 0.15 -1.26 -5.10 113.70 111.04 2dn6 s SER 110 Ca 0.54 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2dn6 s SER 110 Cb -0.27 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2dn6 s SER 110 CO 0.82 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2dn6 n GLY 111 N -0.15 4.25 3.56 9.45 0.00 -1.26 -5.05 105.19 115.99 2dn6 n GLY 111 Ca -0.06 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.93 2.55 -0.44 1.61 0.04 -1.26 -4.77 135.00 130.80 2dn6 s PRO 112 Ca 0.00 -0.50 0.04 0.00 0.04 0.00 0.00 61.00 60.58 2dn6 s PRO 112 Cb 0.00 -5.11 0.44 0.00 0.04 0.00 0.00 34.50 29.88 2dn6 s PRO 112 CO 0.00 -3.51 1.43 0.45 0.04 0.00 0.00 177.00 175.41 2dn6 n SER 113 N 14.04 5.73 -3.58 6.66 2.88 -1.26 -4.95 113.62 133.15 2dn6 n SER 113 Ca 0.41 -3.76 -0.02 0.00 -1.33 0.00 0.00 58.87 54.17 2dn6 n SER 113 Cb 0.47 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 2dn6 n SER 113 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn6 s SER 114 N -3.00 -0.70 0.00 -3.46 1.04 -1.26 -5.31 113.70 101.01 2dn6 s SER 114 Ca 0.54 1.05 0.06 0.00 0.48 0.00 0.00 55.95 58.08 2dn6 s SER 114 Cb 0.43 1.54 0.05 0.00 0.10 0.00 0.00 66.02 68.14 2dn6 s SER 114 CO -0.04 -0.16 0.68 0.61 0.98 0.00 0.00 173.24 175.31