#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 s SER 2 N 0.00 1.80 -1.68 1.61 0.01 -1.26 -4.76 113.70 109.41 2dn6 s SER 2 Ca 0.00 -0.28 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 2dn6 s SER 2 Cb 0.00 -0.30 0.14 0.00 0.21 0.00 0.00 66.02 66.07 2dn6 s SER 2 CO 0.00 0.16 0.67 -1.20 0.41 0.00 0.00 173.24 173.29 2dn6 n SER 3 N 2.87 -2.48 0.00 2.44 7.64 -1.26 -4.64 113.62 118.20 2dn6 n SER 3 Ca -0.16 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2dn6 n SER 3 Cb 0.54 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 2dn6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn6 n GLY 4 N -1.50 1.40 3.62 0.23 0.00 -1.26 -5.10 105.19 102.58 2dn6 n GLY 4 Ca 0.01 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 6.81 -0.29 1.61 0.01 -1.26 -4.66 113.70 115.92 2dn6 s SER 5 Ca 0.00 0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.94 2dn6 s SER 5 Cb 0.00 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.84 2dn6 s SER 5 CO 0.00 -0.96 0.86 -0.55 0.41 0.00 0.00 173.24 173.00 2dn6 s SER 6 N 1.89 -0.75 0.00 2.44 0.15 -1.26 -4.92 113.70 111.25 2dn6 s SER 6 Ca 0.45 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2dn6 s SER 6 Cb -0.11 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2dn6 s SER 6 CO 0.20 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dn6 n GLY 7 N 4.62 0.99 3.34 9.45 0.00 -1.26 -4.96 105.19 117.37 2dn6 n GLY 7 Ca -0.14 -1.49 -0.55 0.00 0.00 0.00 0.00 46.02 43.84 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 0.05 -0.08 1.61 0.31 -1.26 -3.85 118.33 115.10 2dn6 n VAL 8 Ca 0.00 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 2dn6 n VAL 8 Cb 0.00 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.00 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 10.49 0.00 -8.81 7.52 3.38 -1.41 -3.43 115.31 123.06 2dn6 h LEU 9 Ca -0.14 -0.35 -0.56 0.00 0.09 0.00 0.00 57.88 56.92 2dn6 h LEU 9 Cb 1.38 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.93 2dn6 h LEU 9 CO 1.10 1.06 -0.81 -0.75 0.09 0.00 0.00 178.44 179.14 2dn6 s LYS 10 N -2.20 1.27 -0.26 1.13 2.20 -1.21 -4.87 119.74 115.78 2dn6 s LYS 10 Ca -0.19 -1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 53.94 2dn6 s LYS 10 Cb 0.03 -1.45 0.09 0.00 -1.51 0.00 0.00 37.83 34.98 2dn6 s LYS 10 CO 0.41 0.31 0.63 1.14 -0.36 0.00 0.00 175.35 177.49 2dn6 s GLN 11 N -2.46 0.63 -0.13 4.03 -2.07 -1.26 -1.53 119.66 116.87 2dn6 s GLN 11 Ca 0.13 1.20 -0.33 0.00 -1.82 0.00 0.00 55.36 54.54 2dn6 s GLN 11 Cb -0.08 0.25 0.13 0.00 -1.09 0.00 0.00 33.01 32.23 2dn6 s GLN 11 CO 0.06 -0.16 1.20 0.20 -1.32 0.00 0.00 175.29 175.27 2dn6 s GLY 12 N 1.87 -0.33 -0.42 2.60 0.00 -1.18 -4.98 107.32 104.88 2dn6 s GLY 12 Ca -0.09 1.29 -0.28 0.00 0.00 0.00 0.00 44.72 45.65 2dn6 s GLY 12 CO -0.18 0.40 1.04 -0.19 0.00 0.00 0.00 173.10 174.16 2dn6 s TYR 13 N -2.48 2.97 0.22 1.90 2.02 -1.26 -1.93 117.35 118.78 2dn6 s TYR 13 Ca 0.10 0.77 0.11 0.00 -0.37 0.00 0.00 57.07 57.68 2dn6 s TYR 13 Cb 0.00 -4.01 -0.05 0.00 -0.40 0.00 0.00 41.96 37.51 2dn6 s TYR 13 CO -0.04 -1.03 -0.20 -1.64 -1.57 0.00 0.00 175.55 171.06 2dn6 s MET 14 N 3.93 1.51 -0.25 -0.62 -1.94 -0.07 -4.82 119.30 117.04 2dn6 s MET 14 Ca 0.43 -1.60 -0.13 0.00 -1.71 0.00 0.00 55.69 52.67 2dn6 s MET 14 Cb -0.10 -1.64 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 2dn6 s MET 14 CO 0.24 0.33 0.30 -1.64 -0.01 0.00 0.00 175.02 174.24 2dn6 s MET 15 N -3.11 4.05 -0.16 2.03 -1.94 -1.25 0.50 119.30 119.41 2dn6 s MET 15 Ca 0.23 -0.06 -0.03 0.00 -1.71 0.00 0.00 55.69 54.13 2dn6 s MET 15 Cb -0.06 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.16 2dn6 s MET 15 CO 0.11 -0.14 -0.07 0.21 -0.01 0.00 0.00 175.02 175.12 2dn6 s LYS 16 N 1.64 3.54 -0.10 2.03 2.20 -0.92 0.80 119.74 128.92 2dn6 s LYS 16 Ca 0.13 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 2dn6 s LYS 16 Cb -0.15 -2.85 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2dn6 s LYS 16 CO 0.09 0.16 1.69 0.21 -0.36 0.00 0.00 175.35 177.14 2dn6 s LYS 17 N 0.54 4.02 0.31 4.03 2.20 -0.41 -3.77 119.74 126.66 2dn6 s LYS 17 Ca -0.05 2.06 -0.25 0.00 -0.36 0.00 0.00 55.97 57.38 2dn6 s LYS 17 Cb -0.15 -4.03 -0.16 0.00 -1.51 0.00 0.00 37.83 31.99 2dn6 s LYS 17 CO 0.03 -1.04 0.38 0.41 -0.36 0.00 0.00 175.35 174.78 2dn6 n GLY 18 N 4.38 -2.01 0.41 5.54 0.00 -1.09 -4.68 105.19 107.74 2dn6 n GLY 18 Ca 0.18 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 2dn6 n GLY 18 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2dn6 h HIS 19 N 0.77 -1.22 -0.76 1.61 2.76 -1.94 -3.13 115.15 113.24 2dn6 h HIS 19 Ca -0.34 0.04 -0.53 0.00 -2.20 0.00 0.00 60.37 57.34 2dn6 h HIS 19 Cb 1.43 0.54 -0.43 0.00 1.55 0.00 0.00 27.41 30.50 2dn6 h HIS 19 CO 0.37 -0.50 -0.84 0.54 -1.30 0.00 0.00 177.93 176.20 2dn6 n ARG 20 N -5.45 3.48 -3.80 5.26 3.00 -1.26 -5.02 116.66 112.87 2dn6 n ARG 20 Ca -0.06 -4.14 -0.12 0.00 -0.01 0.00 0.00 57.85 53.52 2dn6 n ARG 20 Cb 0.37 -2.23 -0.11 0.00 0.00 0.00 0.00 32.46 30.49 2dn6 n ARG 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2dn6 s ARG 21 N -3.61 0.34 -0.42 5.56 0.52 -1.18 -5.04 118.95 115.11 2dn6 s ARG 21 Ca 0.49 0.15 -0.02 0.00 -0.52 0.00 0.00 55.73 55.84 2dn6 s ARG 21 Cb 0.40 0.16 0.23 0.00 0.52 0.00 0.00 34.95 36.27 2dn6 s ARG 21 CO 0.03 -0.06 2.16 1.63 0.02 0.00 0.00 175.30 179.07 2dn6 n LYS 22 N 2.54 2.11 -4.97 3.54 5.02 -1.26 -3.42 118.16 121.72 2dn6 n LYS 22 Ca -0.15 -2.09 -0.27 0.00 -2.02 0.00 0.00 58.31 53.79 2dn6 n LYS 22 Cb 0.58 -1.86 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 2dn6 n LYS 22 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2dn6 s ASN 23 N -0.20 2.35 -0.11 4.39 -0.87 -1.26 -5.02 114.94 114.21 2dn6 s ASN 23 Ca 0.43 -0.36 -0.08 0.00 -1.57 0.00 0.00 52.86 51.28 2dn6 s ASN 23 Cb 0.32 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 41.25 2dn6 s ASN 23 CO -0.06 0.24 0.17 0.26 -2.57 0.00 0.00 177.10 175.14 2dn6 s TRP 24 N -0.47 3.61 -0.03 2.20 0.52 -1.26 -2.68 118.94 120.83 2dn6 s TRP 24 Ca 0.08 0.57 -0.03 0.00 0.02 0.00 0.00 56.10 56.75 2dn6 s TRP 24 Cb -0.08 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2dn6 s TRP 24 CO -0.01 0.72 0.07 0.95 0.02 0.00 0.00 176.95 178.70 2dn6 s THR 25 N -1.00 0.00 0.23 2.01 -4.23 -1.25 -4.98 115.64 106.42 2dn6 s THR 25 Ca 0.16 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 2dn6 s THR 25 Cb -0.12 -0.12 -0.09 0.00 1.34 0.00 0.00 72.50 73.51 2dn6 s THR 25 CO 0.05 -0.02 1.16 -0.70 -0.54 0.00 0.00 174.62 174.58 2dn6 s GLU 26 N -0.01 4.54 -0.10 3.99 2.56 -1.26 -2.17 118.70 126.25 2dn6 s GLU 26 Ca -0.01 1.86 -0.11 0.00 0.00 0.00 0.00 54.97 56.72 2dn6 s GLU 26 Cb -0.01 -3.22 0.03 0.00 2.00 0.00 0.00 34.13 32.93 2dn6 s GLU 26 CO 0.00 0.02 0.29 1.03 -0.56 0.00 0.00 175.26 176.04 2dn6 s ARG 27 N -0.75 0.39 -0.08 4.30 1.81 0.18 -4.93 118.95 119.87 2dn6 s ARG 27 Ca 0.49 0.32 -0.30 0.00 -1.72 0.00 0.00 55.73 54.52 2dn6 s ARG 27 Cb -0.33 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.33 2dn6 s ARG 27 CO 0.39 -0.06 1.13 -0.46 -0.68 0.00 0.00 175.30 175.62 2dn6 s TRP 28 N -0.06 3.30 0.06 -0.53 -0.11 -0.77 -0.89 118.94 119.93 2dn6 s TRP 28 Ca -0.02 1.35 0.04 0.00 1.22 0.00 0.00 56.10 58.68 2dn6 s TRP 28 Cb -0.03 -3.34 -0.04 0.00 -1.50 0.00 0.00 33.47 28.57 2dn6 s TRP 28 CO 0.01 -0.93 -0.01 -0.06 -4.62 0.00 0.00 176.95 171.34 2dn6 s PHE 29 N 2.19 2.99 -0.44 5.86 0.40 -0.81 -0.31 117.98 127.86 2dn6 s PHE 29 Ca 0.53 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2dn6 s PHE 29 Cb -0.22 -1.57 0.15 0.00 0.51 0.00 0.00 43.02 41.88 2dn6 s PHE 29 CO 0.20 0.46 0.27 0.08 0.70 0.00 0.00 175.22 176.93 2dn6 s VAL 30 N -1.22 1.05 -0.59 -0.44 1.01 0.15 -3.08 120.40 117.27 2dn6 s VAL 30 Ca 0.23 -2.52 -0.26 0.00 0.00 0.00 0.00 61.98 59.43 2dn6 s VAL 30 Cb -0.12 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2dn6 s VAL 30 CO 0.15 -0.99 2.19 -0.22 0.00 0.00 0.00 175.10 176.24 2dn6 s LEU 31 N 0.31 3.29 0.66 3.92 2.96 -0.58 -2.66 118.68 126.58 2dn6 s LEU 31 Ca 0.21 0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 54.61 2dn6 s LEU 31 Cb -0.17 -2.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.99 2dn6 s LEU 31 CO -0.05 -2.82 1.04 -0.54 -1.32 0.00 0.00 176.35 172.66 2dn6 s LYS 32 N 7.84 3.09 0.43 1.98 -0.14 0.87 -1.02 119.74 132.79 2dn6 s LYS 32 Ca 0.85 0.46 0.21 0.00 -1.36 0.00 0.00 55.97 56.14 2dn6 s LYS 32 Cb -0.14 -2.09 0.93 0.00 -1.68 0.00 0.00 37.83 34.85 2dn6 s LYS 32 CO 0.20 -0.83 1.85 -1.00 -0.76 0.00 0.00 175.35 174.81 2dn6 h PRO 33 N -0.46 0.00 0.00 -1.68 0.13 -1.93 -3.25 132.00 124.81 2dn6 h PRO 33 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2dn6 h PRO 33 Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2dn6 h PRO 33 CO 0.63 0.28 -0.71 0.09 -0.23 0.00 0.00 178.00 178.05 2dn6 n ASN 34 N -3.58 0.96 -4.03 1.44 4.13 -1.26 -4.90 115.26 108.02 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 0.41 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.34 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2dn6 s ILE 35 N -0.78 0.00 -0.26 2.41 2.07 -1.23 -4.14 121.20 119.28 2dn6 s ILE 35 Ca 0.25 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.47 2dn6 s ILE 35 Cb 0.27 -2.97 0.13 0.00 0.13 0.00 0.00 42.46 40.02 2dn6 s ILE 35 CO -0.09 0.00 0.32 -0.63 -1.91 0.00 0.00 174.94 172.63 2dn6 s ILE 36 N -2.00 -0.49 0.42 2.00 1.01 -1.03 -0.09 121.20 121.02 2dn6 s ILE 36 Ca 0.32 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2dn6 s ILE 36 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2dn6 s ILE 36 CO -0.03 -0.28 0.32 -0.55 0.00 0.00 0.00 174.94 174.40 2dn6 s SER 37 N 2.44 4.87 -0.19 3.58 0.15 -1.09 -0.66 113.70 122.80 2dn6 s SER 37 Ca 0.10 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 2dn6 s SER 37 Cb -0.14 -0.54 0.09 0.00 -1.71 0.00 0.00 66.02 63.72 2dn6 s SER 37 CO -0.23 -0.63 0.35 -0.72 1.20 0.00 0.00 173.24 173.22 2dn6 s TYR 38 N -2.51 -0.67 0.16 3.44 1.13 -1.26 0.31 117.35 117.96 2dn6 s TYR 38 Ca 0.46 1.16 -0.10 0.00 -1.41 0.00 0.00 57.07 57.18 2dn6 s TYR 38 Cb -0.01 0.11 -0.07 0.00 -1.10 0.00 0.00 41.96 40.90 2dn6 s TYR 38 CO 0.26 -0.50 0.50 0.71 -2.51 0.00 0.00 175.55 174.02 2dn6 s TYR 39 N 2.53 3.51 0.15 -3.49 1.51 0.58 -2.39 117.35 119.75 2dn6 s TYR 39 Ca 0.02 0.87 0.25 0.00 -1.01 0.00 0.00 57.07 57.21 2dn6 s TYR 39 Cb -0.13 -2.24 1.35 0.00 -0.11 0.00 0.00 41.96 40.83 2dn6 s TYR 39 CO -0.12 0.39 1.73 -0.24 -1.11 0.00 0.00 175.55 176.20 2dn6 h VAL 40 N 2.41 0.00 -3.86 0.71 3.04 -1.76 -2.05 116.25 114.74 2dn6 h VAL 40 Ca -0.48 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.05 2dn6 h VAL 40 Cb 1.18 0.55 -0.08 0.00 -2.01 0.00 0.00 31.29 30.93 2dn6 h VAL 40 CO 0.68 0.00 -0.14 -0.94 -1.01 0.00 0.00 177.57 176.16 2dn6 s SER 41 N -4.13 0.41 -0.16 3.17 1.04 -1.26 -4.57 113.70 108.20 2dn6 s SER 41 Ca -0.03 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.18 2dn6 s SER 41 Cb 0.07 0.64 0.26 0.00 0.10 0.00 0.00 66.02 67.09 2dn6 s SER 41 CO 0.23 -1.25 1.29 -1.84 0.98 0.00 0.00 173.24 172.65 2dn6 n GLU 42 N -0.48 1.62 -0.00 4.02 0.28 -1.26 -3.69 120.64 121.13 2dn6 n GLU 42 Ca -0.01 -1.14 0.09 0.00 -0.16 0.00 0.00 57.16 55.94 2dn6 n GLU 42 Cb 0.62 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.07 0.78 -3.75 -1.84 8.00 -1.26 -5.00 116.55 113.40 2dn6 n ASP 43 Ca 0.21 -0.63 -0.22 0.00 0.71 0.00 0.00 54.79 54.86 2dn6 n ASP 43 Cb 0.90 1.30 0.02 0.00 -0.02 0.00 0.00 41.12 43.32 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 -1.69 -2.94 0.00 0.64 4.77 -1.24 -4.87 117.00 111.67 2dn6 n LEU 44 Ca 0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 2dn6 n LEU 44 Cb 0.37 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 2dn6 n LEU 44 CO 0.39 0.41 -0.27 0.29 -1.33 0.00 0.00 177.39 176.88 2dn6 n LYS 45 N -4.29 0.29 -3.53 3.23 5.02 -1.26 -4.94 118.16 112.68 2dn6 n LYS 45 Ca -0.30 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.59 2dn6 n LYS 45 Cb 0.68 -0.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.87 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 -3.34 6.25 0.43 4.39 1.11 -1.26 -5.06 116.67 119.18 2dn6 s ASP 46 Ca 0.00 -3.25 -0.26 0.00 0.18 0.00 0.00 52.55 49.22 2dn6 s ASP 46 Cb 0.00 -2.02 -0.08 0.00 1.07 0.00 0.00 42.92 41.88 2dn6 s ASP 46 CO 0.00 -0.34 1.35 -0.75 1.18 0.00 0.00 175.17 176.61 2dn6 s LYS 47 N -0.68 3.84 -0.26 8.23 2.20 -1.26 -2.43 119.74 129.38 2dn6 s LYS 47 Ca 0.23 2.24 -0.01 0.00 -0.36 0.00 0.00 55.97 58.08 2dn6 s LYS 47 Cb -0.12 -2.70 -0.16 0.00 -1.51 0.00 0.00 37.83 33.35 2dn6 s LYS 47 CO -0.08 -0.63 -0.25 1.63 -0.36 0.00 0.00 175.35 175.66 2dn6 n LYS 48 N -0.04 0.63 0.00 4.03 4.76 -1.01 -4.85 118.16 121.68 2dn6 n LYS 48 Ca 0.04 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2dn6 n LYS 48 Cb 0.43 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 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 2.12 2.14 3.64 0.72 0.00 -1.26 -5.06 105.19 107.50 2dn6 n GLY 49 Ca -0.47 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2dn6 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dn6 s ASP 50 N 2.00 -0.68 -0.60 1.61 1.11 -1.26 -4.32 116.67 114.52 2dn6 s ASP 50 Ca 0.00 1.24 -0.01 0.00 0.18 0.00 0.00 52.55 53.97 2dn6 s ASP 50 Cb 0.00 1.27 0.15 0.00 1.07 0.00 0.00 42.92 45.41 2dn6 s ASP 50 CO 0.00 -0.21 0.40 -0.63 1.18 0.00 0.00 175.17 175.91 2dn6 s ILE 51 N 0.65 3.40 -0.52 0.77 1.01 0.17 -4.99 121.20 121.69 2dn6 s ILE 51 Ca -0.02 -3.11 -0.31 0.00 0.00 0.00 0.00 60.65 57.21 2dn6 s ILE 51 Cb -0.05 -3.25 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 2dn6 s ILE 51 CO -0.06 -0.86 2.36 0.18 0.00 0.00 0.00 174.94 176.56 2dn6 n LEU 52 N 3.32 1.85 -4.77 2.97 4.77 -1.26 -2.47 117.00 121.42 2dn6 n LEU 52 Ca 0.08 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 2dn6 n LEU 52 Cb 0.36 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2dn6 n LEU 52 CO 0.34 -0.97 0.83 -0.76 -1.33 0.00 0.00 177.39 175.50 2dn6 s LEU 53 N 9.12 4.32 -0.10 2.23 1.43 -1.26 -4.94 118.68 129.48 2dn6 s LEU 53 Ca 1.11 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 56.25 2dn6 s LEU 53 Cb -0.72 -3.88 0.11 0.00 0.03 0.00 0.00 46.19 41.73 2dn6 s LEU 53 CO 0.42 -0.49 0.92 -0.62 0.23 0.00 0.00 176.35 176.81 2dn6 s ASP 54 N -1.03 -0.40 0.24 2.29 2.15 -1.26 -4.84 116.67 113.82 2dn6 s ASP 54 Ca 0.53 0.32 -0.08 0.00 0.43 0.00 0.00 52.55 53.74 2dn6 s ASP 54 Cb -0.31 0.36 0.38 0.00 -0.30 0.00 0.00 42.92 43.04 2dn6 s ASP 54 CO 0.40 -0.46 1.38 -1.84 -0.17 0.00 0.00 175.17 174.48 2dn6 n GLU 55 N 0.45 -0.10 -0.21 4.34 0.28 -1.26 0.11 120.64 124.25 2dn6 n GLU 55 Ca -0.11 1.38 0.02 0.00 -0.16 0.00 0.00 57.16 58.29 2dn6 n GLU 55 Cb 0.59 -2.05 0.12 0.00 1.43 0.00 0.00 31.44 31.53 2dn6 n GLU 55 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2dn6 h ASN 56 N 0.00 -0.14 -3.91 -1.84 7.08 -1.96 -3.41 115.58 111.41 2dn6 h ASN 56 Ca 0.41 0.14 -0.53 0.00 -3.08 0.00 0.00 56.30 53.24 2dn6 h ASN 56 Cb 0.63 0.23 0.08 0.00 -2.08 0.00 0.00 38.32 37.17 2dn6 h ASN 56 CO -0.91 -0.07 0.68 0.00 -2.08 0.00 0.00 177.43 175.06 2dn6 s VAL 59 N -3.88 4.52 -0.04 0.00 0.11 -1.26 0.15 120.40 119.99 2dn6 s VAL 59 Ca 0.10 -0.73 -0.00 0.00 -2.93 0.00 0.00 61.98 58.41 2dn6 s VAL 59 Cb -0.02 -3.16 0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2dn6 s VAL 59 CO -0.02 0.16 0.01 -1.61 -3.33 0.00 0.00 175.10 170.31 2dn6 s GLU 60 N -2.29 0.33 0.05 1.54 2.02 0.19 -4.92 118.70 115.62 2dn6 s GLU 60 Ca 0.28 0.14 -0.31 0.00 0.02 0.00 0.00 54.97 55.10 2dn6 s GLU 60 Cb -0.12 -0.63 -0.05 0.00 0.10 0.00 0.00 34.13 33.43 2dn6 s GLU 60 CO 0.21 -0.21 1.19 -1.54 0.02 0.00 0.00 175.26 174.92 2dn6 s SER 61 N 1.49 7.08 0.01 -0.19 1.04 -1.26 0.00 113.70 121.88 2dn6 s SER 61 Ca -0.03 1.99 0.08 0.00 0.48 0.00 0.00 55.95 58.47 2dn6 s SER 61 Cb -0.13 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2dn6 s SER 61 CO -0.03 -0.47 -0.25 -0.76 0.98 0.00 0.00 173.24 172.70 2dn6 s LEU 62 N 1.15 2.16 0.00 2.42 1.43 0.16 -4.89 118.68 121.12 2dn6 s LEU 62 Ca 0.58 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2dn6 s LEU 62 Cb -0.29 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2dn6 s LEU 62 CO 0.29 0.29 0.00 -0.81 0.23 0.00 0.00 176.35 176.34 2dn6 n PRO 63 N 2.06 0.22 -3.03 1.29 -0.04 -1.26 -2.27 135.00 131.97 2dn6 n PRO 63 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 2dn6 n PRO 63 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2dn6 n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dn6 s ASP 64 N -1.51 6.58 0.00 3.54 1.47 -1.26 -4.32 116.67 121.17 2dn6 s ASP 64 Ca 0.00 0.53 0.00 0.00 1.18 0.00 0.00 52.55 54.26 2dn6 s ASP 64 Cb 0.00 -2.37 0.00 0.00 -0.34 0.00 0.00 42.92 40.21 2dn6 s ASP 64 CO 0.00 -0.56 0.00 2.29 0.68 0.00 0.00 175.17 177.58 2dn6 n LYS 65 N 6.06 2.89 -3.56 2.11 0.00 -1.26 -4.88 118.16 119.52 2dn6 n LYS 65 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.05 2dn6 n LYS 65 Cb 0.48 -0.97 -0.10 0.00 -0.00 0.00 0.00 35.03 34.45 2dn6 n LYS 65 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dn6 n ASP 66 N -1.77 1.78 -2.20 -5.58 -0.08 -1.26 -4.89 116.55 102.54 2dn6 n ASP 66 Ca 0.00 -2.95 -0.03 0.00 -1.51 0.00 0.00 54.79 50.30 2dn6 n ASP 66 Cb 0.35 -0.67 -0.01 0.00 2.34 0.00 0.00 41.12 43.14 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 1.90 -0.38 3.70 0.27 0.00 -1.26 -4.84 105.19 104.58 2dn6 n GLY 67 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.01 2.13 0.01 1.61 -0.14 -1.26 -5.15 119.74 112.93 2dn6 s LYS 68 Ca 0.06 -1.93 0.01 0.00 -1.36 0.00 0.00 55.97 52.75 2dn6 s LYS 68 Cb -0.03 -1.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 2dn6 s LYS 68 CO 0.07 -0.09 -0.04 0.15 -0.76 0.00 0.00 175.35 174.69 2dn6 s LYS 69 N -3.84 0.30 -1.09 1.68 3.01 -1.26 -4.41 119.74 114.13 2dn6 s LYS 69 Ca 0.39 -0.29 -0.00 0.00 -1.01 0.00 0.00 55.97 55.06 2dn6 s LYS 69 Cb 0.06 -0.20 -0.00 0.00 -1.01 0.00 0.00 37.83 36.68 2dn6 s LYS 69 CO 0.21 0.05 0.91 0.00 0.51 0.00 0.00 175.35 177.03 2dn6 s LEU 71 N -5.96 3.98 -0.16 0.00 1.43 -0.96 -3.16 118.68 113.85 2dn6 s LEU 71 Ca 0.01 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 2dn6 s LEU 71 Cb -0.00 -4.32 0.05 0.00 0.03 0.00 0.00 46.19 41.95 2dn6 s LEU 71 CO 0.66 -0.30 0.40 0.72 0.23 0.00 0.00 176.35 178.06 2dn6 s PHE 72 N -2.12 -0.51 0.02 0.29 -0.12 -1.03 0.39 117.98 114.90 2dn6 s PHE 72 Ca 0.58 1.15 0.08 0.00 -0.05 0.00 0.00 56.93 58.69 2dn6 s PHE 72 Cb -0.10 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 2dn6 s PHE 72 CO 0.16 -0.27 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.66 2dn6 s LEU 73 N 0.78 2.12 -0.13 -1.99 0.20 0.10 -2.04 118.68 117.71 2dn6 s LEU 73 Ca -0.05 -0.50 -0.05 0.00 0.69 0.00 0.00 54.13 54.22 2dn6 s LEU 73 Cb -0.06 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.51 2dn6 s LEU 73 CO -0.06 0.24 0.04 -0.69 -0.29 0.00 0.00 176.35 175.60 2dn6 s VAL 74 N -0.70 4.66 -0.14 1.68 1.01 0.97 0.54 120.40 128.42 2dn6 s VAL 74 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2dn6 s VAL 74 Cb -0.09 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2dn6 s VAL 74 CO 0.01 0.54 -0.07 -0.54 0.00 0.00 0.00 175.10 175.04 2dn6 s LYS 75 N -0.32 3.52 0.44 2.72 1.02 0.12 -2.09 119.74 125.15 2dn6 s LYS 75 Ca 0.08 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.53 2dn6 s LYS 75 Cb -0.12 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2dn6 s LYS 75 CO 0.02 0.27 0.06 0.00 -0.92 0.00 0.00 175.35 174.77 2dn6 n PHE 77 N -1.04 0.00 0.00 0.00 3.72 -1.26 -4.07 117.46 114.81 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 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.11 4.07 -4.84 4.37 2.03 -1.26 -5.06 116.55 113.75 2dn6 n ASP 78 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2dn6 n ASP 78 Cb 0.00 0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.79 4.06 0.03 -0.67 1.02 -1.26 -5.08 119.74 116.06 2dn6 s LYS 79 Ca 0.00 0.91 0.03 0.00 0.02 0.00 0.00 55.97 56.93 2dn6 s LYS 79 Cb 0.00 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2dn6 s LYS 79 CO 0.00 -0.05 -0.09 0.95 -0.92 0.00 0.00 175.35 175.24 2dn6 s THR 80 N -2.26 0.67 -0.03 2.17 -4.23 -1.26 -1.95 115.64 108.75 2dn6 s THR 80 Ca 0.58 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2dn6 s THR 80 Cb -0.10 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.10 2dn6 s THR 80 CO 0.20 -0.19 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.73 2dn6 s PHE 81 N -1.01 0.32 -0.15 3.99 0.40 -0.89 -5.03 117.98 115.61 2dn6 s PHE 81 Ca -0.05 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2dn6 s PHE 81 Cb -0.08 -0.40 0.00 0.00 0.51 0.00 0.00 43.02 43.05 2dn6 s PHE 81 CO 0.01 -0.12 -0.18 -2.00 0.70 0.00 0.00 175.22 173.62 2dn6 s GLU 82 N 0.95 3.14 0.14 0.44 -6.30 -1.26 -0.02 118.70 115.79 2dn6 s GLU 82 Ca -0.10 -0.79 0.06 0.00 -2.50 0.00 0.00 54.97 51.64 2dn6 s GLU 82 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 34.13 31.41 2dn6 s GLU 82 CO -0.02 0.01 -0.14 0.42 0.02 0.00 0.00 175.26 175.56 2dn6 s ILE 83 N 0.80 1.40 0.19 -3.70 1.01 -0.87 -1.29 121.20 118.74 2dn6 s ILE 83 Ca -0.06 -1.84 0.10 0.00 0.00 0.00 0.00 60.65 58.84 2dn6 s ILE 83 Cb -0.15 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2dn6 s ILE 83 CO -0.01 -0.47 -0.13 -0.94 0.00 0.00 0.00 174.94 173.40 2dn6 s SER 84 N -2.67 4.07 0.16 3.58 1.04 0.24 -2.47 113.70 117.64 2dn6 s SER 84 Ca 0.12 -0.66 0.11 0.00 0.48 0.00 0.00 55.95 56.01 2dn6 s SER 84 Cb -0.03 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 2dn6 s SER 84 CO 0.03 0.10 -0.25 0.00 0.98 0.00 0.00 173.24 174.10 2dn6 s ALA 85 N -1.75 2.46 -0.13 5.32 0.00 -1.19 -3.87 121.76 122.60 2dn6 s ALA 85 Ca 0.24 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2dn6 s ALA 85 Cb -0.08 -0.35 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 2dn6 s ALA 85 CO 0.14 0.48 0.33 1.03 0.00 0.00 0.00 175.76 177.74 2dn6 h SER 86 N 3.52 0.00 -1.85 0.00 0.87 -1.87 -3.42 113.55 110.80 2dn6 h SER 86 Ca -0.49 -0.48 -0.60 0.00 -1.23 0.00 0.00 61.79 59.00 2dn6 h SER 86 Cb 1.19 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.02 2dn6 h SER 86 CO 0.44 0.86 -0.55 1.51 -0.53 0.00 0.00 176.83 178.55 2dn6 s ASP 87 N -6.01 3.43 0.46 6.23 1.47 -1.26 -4.92 116.67 116.07 2dn6 s ASP 87 Ca -0.13 -1.55 0.13 0.00 1.18 0.00 0.00 52.55 52.18 2dn6 s ASP 87 Cb -0.00 0.22 1.05 0.00 -0.34 0.00 0.00 42.92 43.84 2dn6 s ASP 87 CO 0.38 -0.74 2.05 0.11 0.68 0.00 0.00 175.17 177.65 2dn6 h LYS 88 N 1.69 0.12 0.51 2.11 1.57 -1.94 -2.79 116.57 117.83 2dn6 h LYS 88 Ca -0.41 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 2dn6 h LYS 88 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2dn6 h LYS 88 CO 0.70 0.17 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.29 2dn6 h LYS 89 N 0.12 -0.66 -0.25 3.15 3.64 -1.98 -1.88 116.57 118.70 2dn6 h LYS 89 Ca 0.03 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2dn6 h LYS 89 Cb 0.15 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 2dn6 h LYS 89 CO 0.01 -0.44 -0.55 0.87 -2.27 0.00 0.00 179.45 177.07 2dn6 h LYS 90 N -0.72 -0.48 -0.27 1.90 1.57 -1.96 0.58 116.57 117.18 2dn6 h LYS 90 Ca -0.07 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2dn6 h LYS 90 Cb 0.52 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 2dn6 h LYS 90 CO 0.11 -0.32 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.21 2dn6 h LYS 91 N -0.50 -0.10 0.26 3.15 3.11 -1.56 0.28 116.57 121.21 2dn6 h LYS 91 Ca 0.05 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 2dn6 h LYS 91 Cb 0.64 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 2dn6 h LYS 91 CO -0.50 -0.07 -0.24 0.37 -2.81 0.00 0.00 179.45 176.20 2dn6 h GLN 92 N -0.11 -0.48 -0.88 1.90 4.15 -1.00 -0.01 115.11 118.68 2dn6 h GLN 92 Ca 0.04 0.03 0.28 0.00 0.77 0.00 0.00 58.65 59.78 2dn6 h GLN 92 Cb 0.23 0.11 -0.16 0.00 0.21 0.00 0.00 27.48 27.86 2dn6 h GLN 92 CO -0.31 -0.32 0.15 0.39 -1.93 0.00 0.00 178.83 176.81 2dn6 n GLU 93 N -3.81 -0.06 0.30 1.69 1.02 0.20 0.17 120.64 120.14 2dn6 n GLU 93 Ca -0.06 1.28 -0.14 0.00 -0.02 0.00 0.00 57.16 58.23 2dn6 n GLU 93 Cb 0.22 -2.11 -0.07 0.00 -0.02 0.00 0.00 31.44 29.46 2dn6 n GLU 93 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2dn6 h TRP 94 N 0.00 -0.75 -0.01 -0.32 4.06 -0.01 -2.18 115.95 116.74 2dn6 h TRP 94 Ca 0.59 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.56 2dn6 h TRP 94 Cb 1.35 0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 29.71 2dn6 h TRP 94 CO -0.32 -0.43 -0.38 0.82 -3.56 0.00 0.00 178.44 174.57 2dn6 h ILE 95 N -1.15 0.21 -0.92 1.49 2.04 0.13 0.69 117.51 120.00 2dn6 h ILE 95 Ca -0.08 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.97 2dn6 h ILE 95 Cb 0.65 0.21 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 2dn6 h ILE 95 CO 0.13 0.00 0.48 1.56 0.00 0.00 0.00 178.15 180.33 2dn6 h GLN 96 N -0.53 0.55 0.57 2.37 1.08 -0.36 0.25 115.11 119.03 2dn6 h GLN 96 Ca 0.06 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2dn6 h GLN 96 Cb 0.62 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.93 2dn6 h GLN 96 CO -0.31 0.37 -0.27 0.00 -0.95 0.00 0.00 178.83 177.67 2dn6 h ALA 97 N 1.65 -0.92 -0.31 3.87 0.00 -0.58 -2.22 119.26 120.76 2dn6 h ALA 97 Ca 0.55 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2dn6 h ALA 97 Cb 0.93 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2dn6 h ALA 97 CO -0.44 -0.87 -0.23 0.82 0.00 0.00 0.00 179.25 178.53 2dn6 h ILE 98 N -0.98 0.39 -0.41 0.00 2.04 -0.49 0.10 117.51 118.16 2dn6 h ILE 98 Ca -0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.87 2dn6 h ILE 98 Cb 0.58 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 2dn6 h ILE 98 CO 0.13 0.00 -0.24 -0.74 0.00 0.00 0.00 178.15 177.30 2dn6 h HIS 99 N -0.20 -0.63 -0.16 1.37 2.76 -0.59 -1.24 115.15 116.46 2dn6 h HIS 99 Ca 0.16 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2dn6 h HIS 99 Cb 0.45 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 2dn6 h HIS 99 CO -0.42 -0.32 0.10 0.77 -1.30 0.00 0.00 177.93 176.76 2dn6 h SER 100 N -0.17 0.18 -0.90 3.26 0.02 -0.71 -2.34 113.55 112.89 2dn6 h SER 100 Ca 0.19 -0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.34 2dn6 h SER 100 Cb 0.47 -0.05 -0.12 0.00 0.14 0.00 0.00 62.40 62.85 2dn6 h SER 100 CO -0.51 0.14 0.44 0.74 -1.14 0.00 0.00 176.83 176.50 2dn6 h THR 101 N 0.21 0.55 -0.16 -2.27 2.02 0.10 -0.65 112.91 112.71 2dn6 h THR 101 Ca 0.06 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2dn6 h THR 101 Cb -0.01 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2dn6 h THR 101 CO -0.01 0.09 0.00 0.40 0.37 0.00 0.00 175.52 176.37 2dn6 h ILE 102 N 0.49 1.25 -0.94 3.11 2.04 -0.86 -3.06 117.51 119.53 2dn6 h ILE 102 Ca 0.55 -0.82 0.28 0.00 1.00 0.00 0.00 64.86 65.87 2dn6 h ILE 102 Cb 0.99 1.48 -0.16 0.00 -0.74 0.00 0.00 36.82 38.39 2dn6 h ILE 102 CO -0.48 0.24 0.23 -0.74 0.00 0.00 0.00 178.15 177.41 2dn6 h HIS 103 N 0.03 0.33 -0.84 1.37 2.76 -0.60 1.05 115.15 119.25 2dn6 h HIS 103 Ca 0.05 0.05 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 2dn6 h HIS 103 Cb 0.37 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.27 2dn6 h HIS 103 CO 0.03 -0.32 0.55 -0.07 -1.30 0.00 0.00 177.93 176.81 2dn6 h LEU 104 N 0.12 0.62 -0.34 0.26 3.38 -1.40 -0.17 115.31 117.78 2dn6 h LEU 104 Ca 0.63 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.44 2dn6 h LEU 104 Cb 1.36 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2dn6 h LEU 104 CO -0.76 0.33 -0.83 -0.07 0.09 0.00 0.00 178.44 177.20 2dn6 h LEU 105 N 0.67 0.25 -0.79 1.67 3.38 0.10 -3.23 115.31 117.36 2dn6 h LEU 105 Ca 0.41 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2dn6 h LEU 105 Cb 0.64 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2dn6 h LEU 105 CO -0.17 0.98 0.48 0.11 0.09 0.00 0.00 178.44 179.92 2dn6 h LYS 106 N 0.12 0.85 -0.85 1.13 1.57 -0.10 -2.55 116.57 116.74 2dn6 h LYS 106 Ca -0.04 -0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2dn6 h LYS 106 Cb 1.44 -0.19 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 2dn6 h LYS 106 CO 0.13 0.56 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.23 2dn6 h LEU 107 N 0.87 -0.99 0.00 2.94 -0.00 -1.50 -3.47 115.31 113.16 2dn6 h LEU 107 Ca 0.35 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.50 2dn6 h LEU 107 Cb 0.18 0.59 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2dn6 h LEU 107 CO -0.18 -0.29 0.00 0.61 -0.00 0.00 0.00 178.44 178.58 2dn6 n GLY 108 N -1.52 -0.17 3.42 0.83 0.00 -0.96 -4.94 105.19 101.85 2dn6 n GLY 108 Ca 0.11 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.00 2.11 0.32 1.61 0.01 -1.26 -5.10 113.70 107.39 2dn6 s SER 109 Ca 0.00 -1.43 -0.20 0.00 1.31 0.00 0.00 55.95 55.63 2dn6 s SER 109 Cb 0.00 0.09 -0.14 0.00 0.21 0.00 0.00 66.02 66.18 2dn6 s SER 109 CO 0.00 -0.70 0.14 -1.54 0.41 0.00 0.00 173.24 171.55 2dn6 n SER 110 N -0.74 -2.27 0.00 2.44 3.41 -1.26 -4.68 113.62 110.53 2dn6 n SER 110 Ca -0.02 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2dn6 n SER 110 Cb 0.66 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.99 0.39 3.72 5.00 0.00 -1.26 -5.07 105.19 109.96 2dn6 n GLY 111 Ca 0.11 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 2dn6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn6 s PRO 112 N -0.09 1.31 0.31 1.61 0.04 -1.26 -5.08 135.00 131.84 2dn6 s PRO 112 Ca 0.00 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 61.86 2dn6 s PRO 112 Cb 0.00 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dn6 s PRO 112 CO 0.00 -2.21 0.41 -1.54 0.04 0.00 0.00 177.00 173.70 2dn6 s SER 113 N -3.42 0.81 0.31 6.66 1.04 -1.26 -4.91 113.70 112.93 2dn6 s SER 113 Ca 0.63 -1.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.35 2dn6 s SER 113 Cb -0.18 0.61 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 2dn6 s SER 113 CO 0.57 -1.19 0.97 -0.94 0.98 0.00 0.00 173.24 173.63 2dn6 s SER 114 N -3.22 7.35 0.00 7.02 1.04 -1.26 -5.27 113.70 119.35 2dn6 s SER 114 Ca 0.32 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2dn6 s SER 114 Cb 0.01 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2dn6 s SER 114 CO 0.19 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.95