#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 s SER 2 N 0.00 6.49 -0.09 1.61 0.01 -1.26 -4.98 113.70 115.48 2dn6 s SER 2 Ca 0.00 2.04 -0.05 0.00 1.31 0.00 0.00 55.95 59.25 2dn6 s SER 2 Cb 0.00 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.74 2dn6 s SER 2 CO 0.00 -1.10 0.22 -0.44 0.41 0.00 0.00 173.24 172.33 2dn6 s SER 3 N 3.98 -0.22 -0.85 2.44 0.01 -1.26 -5.10 113.70 112.69 2dn6 s SER 3 Ca 0.75 0.46 -0.05 0.00 1.31 0.00 0.00 55.95 58.43 2dn6 s SER 3 Cb -0.31 0.36 0.21 0.00 0.21 0.00 0.00 66.02 66.49 2dn6 s SER 3 CO 0.30 -0.16 0.75 -0.83 0.41 0.00 0.00 173.24 173.71 2dn6 s GLY 4 N 1.16 2.90 0.10 3.44 0.00 -1.26 -5.06 107.32 108.60 2dn6 s GLY 4 Ca -0.09 -3.63 -0.25 0.00 0.00 0.00 0.00 44.72 40.76 2dn6 s GLY 4 CO -0.07 1.20 0.75 -0.45 0.00 0.00 0.00 173.10 174.53 2dn6 s SER 5 N 0.60 7.27 0.35 1.64 0.15 -1.26 -5.05 113.70 117.41 2dn6 s SER 5 Ca 0.24 1.51 -0.25 0.00 0.70 0.00 0.00 55.95 58.16 2dn6 s SER 5 Cb -0.11 -2.47 -0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2dn6 s SER 5 CO -0.09 0.12 0.97 -0.55 1.20 0.00 0.00 173.24 174.89 2dn6 s SER 6 N -0.60 7.17 0.33 5.45 0.15 -1.26 -4.79 113.70 120.15 2dn6 s SER 6 Ca 0.36 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2dn6 s SER 6 Cb -0.22 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2dn6 s SER 6 CO 0.24 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dn6 n GLY 7 N 0.35 1.59 3.68 9.45 0.00 -1.26 -4.42 105.19 114.58 2dn6 n GLY 7 Ca 0.03 0.61 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 2dn6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s VAL 8 N 0.00 2.68 -0.05 1.61 0.11 -1.26 -4.23 120.40 119.26 2dn6 s VAL 8 Ca 0.00 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 2dn6 s VAL 8 Cb 0.00 -3.03 -0.29 0.00 -1.53 0.00 0.00 36.38 31.53 2dn6 s VAL 8 CO 0.00 -0.00 0.93 -0.07 -3.33 0.00 0.00 175.10 172.63 2dn6 h LEU 9 N 9.19 0.43 -8.64 2.54 3.38 -0.26 -3.47 115.31 118.46 2dn6 h LEU 9 Ca -0.47 -0.92 -0.41 0.00 0.09 0.00 0.00 57.88 56.17 2dn6 h LEU 9 Cb 1.22 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 2dn6 h LEU 9 CO 0.95 1.31 -0.75 -0.75 0.09 0.00 0.00 178.44 179.28 2dn6 s LYS 10 N -2.58 1.06 -0.26 1.13 2.20 -1.21 -4.95 119.74 115.14 2dn6 s LYS 10 Ca -0.14 -1.30 -0.19 0.00 -0.36 0.00 0.00 55.97 53.99 2dn6 s LYS 10 Cb 0.01 -0.91 0.07 0.00 -1.51 0.00 0.00 37.83 35.49 2dn6 s LYS 10 CO 0.81 0.17 0.65 1.14 -0.36 0.00 0.00 175.35 177.76 2dn6 s GLN 11 N -2.87 0.71 0.00 4.03 -2.07 -1.26 -1.47 119.66 116.73 2dn6 s GLN 11 Ca 0.11 1.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.70 2dn6 s GLN 11 Cb -0.04 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.11 2dn6 s GLN 11 CO 0.03 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 2dn6 n GLY 12 N 3.60 1.34 3.61 2.60 0.00 -1.19 -5.01 105.19 110.15 2dn6 n GLY 12 Ca -0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.73 1.59 0.31 1.61 2.02 -1.26 -2.99 117.35 116.90 2dn6 s TYR 13 Ca 0.00 0.46 0.10 0.00 -0.37 0.00 0.00 57.07 57.25 2dn6 s TYR 13 Cb 0.00 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.47 2dn6 s TYR 13 CO 0.00 -3.63 -0.02 -1.64 -1.57 0.00 0.00 175.55 168.69 2dn6 s MET 14 N 5.56 2.07 -0.31 -0.62 -1.94 -0.77 -4.85 119.30 118.45 2dn6 s MET 14 Ca 0.86 -1.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.12 2dn6 s MET 14 Cb -0.29 -1.96 0.03 0.00 2.01 0.00 0.00 34.83 34.62 2dn6 s MET 14 CO 0.34 0.22 0.05 -1.64 -0.01 0.00 0.00 175.02 173.97 2dn6 s MET 15 N -3.68 2.70 -0.13 2.03 -1.94 -1.13 -0.14 119.30 117.02 2dn6 s MET 15 Ca 0.33 -1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 53.15 2dn6 s MET 15 Cb -0.02 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 2dn6 s MET 15 CO 0.19 -0.56 0.10 0.21 -0.01 0.00 0.00 175.02 174.95 2dn6 s LYS 16 N 1.37 3.48 -0.67 2.03 2.20 -0.93 0.93 119.74 128.15 2dn6 s LYS 16 Ca -0.01 -0.21 -0.27 0.00 -0.36 0.00 0.00 55.97 55.11 2dn6 s LYS 16 Cb -0.19 -3.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2dn6 s LYS 16 CO 0.01 0.66 1.26 0.21 -0.36 0.00 0.00 175.35 177.13 2dn6 s LYS 17 N -0.72 3.31 0.00 4.03 2.20 -0.36 -3.42 119.74 124.78 2dn6 s LYS 17 Ca 0.13 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2dn6 s LYS 17 Cb -0.12 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2dn6 s LYS 17 CO 0.03 -1.97 0.00 0.41 -0.36 0.00 0.00 175.35 173.46 2dn6 n GLY 18 N 5.26 0.48 0.77 5.54 0.00 -1.26 -4.71 105.19 111.26 2dn6 n GLY 18 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -1.02 1.61 -0.00 -1.26 -5.10 115.22 109.44 2dn6 n HIS 19 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 2dn6 n HIS 19 Cb 0.00 0.16 0.03 0.00 -0.00 0.00 0.00 29.99 30.18 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 -2.16 0.00 -2.27 -0.41 1.74 -1.26 -4.78 116.66 107.52 2dn6 n ARG 20 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2dn6 n ARG 20 Cb 0.14 -0.97 -0.02 0.00 -1.02 0.00 0.00 32.46 30.59 2dn6 n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dn6 s ARG 21 N -1.71 4.22 -1.20 5.56 0.52 -1.26 -3.68 118.95 121.39 2dn6 s ARG 21 Ca 0.43 1.86 -0.06 0.00 -0.52 0.00 0.00 55.73 57.43 2dn6 s ARG 21 Cb -0.25 -3.84 0.06 0.00 0.52 0.00 0.00 34.95 31.44 2dn6 s ARG 21 CO 0.76 -0.75 0.14 1.63 0.02 0.00 0.00 175.30 177.11 2dn6 n LYS 22 N 6.76 -0.90 -3.81 3.54 5.02 -1.26 -4.84 118.16 122.66 2dn6 n LYS 22 Ca 0.15 0.08 -0.28 0.00 -2.02 0.00 0.00 58.31 56.24 2dn6 n LYS 22 Cb 0.44 -2.87 -0.12 0.00 -0.02 0.00 0.00 35.03 32.47 2dn6 n LYS 22 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dn6 s ASN 23 N -3.55 4.20 0.96 4.39 2.47 -1.24 -5.10 114.94 117.07 2dn6 s ASN 23 Ca 0.20 -3.68 -0.12 0.00 0.42 0.00 0.00 52.86 49.68 2dn6 s ASN 23 Cb -0.12 -1.42 0.17 0.00 -1.45 0.00 0.00 41.25 38.43 2dn6 s ASN 23 CO 0.73 -0.10 1.09 0.26 -3.72 0.00 0.00 177.10 175.35 2dn6 s TRP 24 N -1.14 2.12 -0.11 0.43 0.52 -1.26 -4.60 118.94 114.89 2dn6 s TRP 24 Ca 0.26 1.18 -0.09 0.00 0.02 0.00 0.00 56.10 57.47 2dn6 s TRP 24 Cb -0.04 -3.20 0.03 0.00 -1.15 0.00 0.00 33.47 29.12 2dn6 s TRP 24 CO -0.17 -2.73 0.29 -0.08 0.02 0.00 0.00 176.95 174.28 2dn6 s THR 25 N -2.88 -0.01 0.30 2.01 -1.32 -1.22 -4.99 115.64 107.51 2dn6 s THR 25 Ca 0.65 0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.89 2dn6 s THR 25 Cb -0.19 -0.42 -0.09 0.00 -1.51 0.00 0.00 72.50 70.29 2dn6 s THR 25 CO 0.58 0.02 1.00 -0.70 -2.21 0.00 0.00 174.62 173.31 2dn6 s GLU 26 N 0.51 4.62 -0.24 7.08 2.12 -1.26 -2.19 118.70 129.35 2dn6 s GLU 26 Ca -0.03 1.54 -0.20 0.00 0.36 0.00 0.00 54.97 56.64 2dn6 s GLU 26 Cb -0.04 -3.02 0.06 0.00 0.26 0.00 0.00 34.13 31.39 2dn6 s GLU 26 CO -0.03 0.27 0.62 1.03 -0.54 0.00 0.00 175.26 176.62 2dn6 s ARG 27 N -1.67 0.70 -0.20 4.30 0.52 0.80 -4.94 118.95 118.46 2dn6 s ARG 27 Ca 0.47 0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 56.32 2dn6 s ARG 27 Cb -0.25 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 2dn6 s ARG 27 CO 0.32 -0.11 1.73 -0.46 0.02 0.00 0.00 175.30 176.81 2dn6 s TRP 28 N 0.68 1.89 -0.25 -0.53 -0.11 -0.46 -1.84 118.94 118.32 2dn6 s TRP 28 Ca -0.03 0.44 -0.11 0.00 1.22 0.00 0.00 56.10 57.62 2dn6 s TRP 28 Cb -0.05 -4.01 -0.05 0.00 -1.50 0.00 0.00 33.47 27.86 2dn6 s TRP 28 CO -0.04 -3.36 0.17 -0.06 -4.62 0.00 0.00 176.95 169.03 2dn6 s PHE 29 N 5.57 3.28 -0.53 5.86 0.40 -1.16 0.49 117.98 131.89 2dn6 s PHE 29 Ca 0.77 0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 57.21 2dn6 s PHE 29 Cb -0.28 -2.30 0.14 0.00 0.51 0.00 0.00 43.02 41.09 2dn6 s PHE 29 CO 0.31 -0.02 0.38 0.08 0.70 0.00 0.00 175.22 176.68 2dn6 s VAL 30 N 1.29 3.96 -0.31 -0.44 1.01 0.12 -3.20 120.40 122.83 2dn6 s VAL 30 Ca 0.07 -2.27 -0.29 0.00 0.00 0.00 0.00 61.98 59.50 2dn6 s VAL 30 Cb -0.14 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2dn6 s VAL 30 CO 0.07 -0.81 1.52 -0.22 0.00 0.00 0.00 175.10 175.66 2dn6 s LEU 31 N 0.77 3.73 0.37 3.92 2.96 -0.54 -2.00 118.68 127.90 2dn6 s LEU 31 Ca 0.11 1.25 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 2dn6 s LEU 31 Cb -0.22 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2dn6 s LEU 31 CO -0.03 -1.35 0.55 -0.54 -1.32 0.00 0.00 176.35 173.66 2dn6 s LYS 32 N 4.81 3.18 0.41 1.98 -0.14 0.10 0.40 119.74 130.49 2dn6 s LYS 32 Ca 0.67 -0.69 0.20 0.00 -1.36 0.00 0.00 55.97 54.79 2dn6 s LYS 32 Cb -0.19 -2.70 0.88 0.00 -1.68 0.00 0.00 37.83 34.13 2dn6 s LYS 32 CO 0.30 -0.02 1.83 -1.00 -0.76 0.00 0.00 175.35 175.70 2dn6 h PRO 33 N 0.71 0.00 0.00 -1.68 0.13 -1.95 -3.25 132.00 125.95 2dn6 h PRO 33 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2dn6 h PRO 33 Cb 1.25 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 2dn6 h PRO 33 CO 0.57 0.30 -0.74 0.09 -0.23 0.00 0.00 178.00 177.98 2dn6 n ASN 34 N -3.63 1.00 0.00 1.44 4.13 -1.26 -4.83 115.26 112.11 2dn6 n ASN 34 Ca -0.01 -2.41 0.00 0.00 1.68 0.00 0.00 54.58 53.84 2dn6 n ASN 34 Cb 0.42 -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 -0.04 0.00 -3.38 2.41 3.06 -1.23 -3.87 119.36 116.31 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 0.93 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 41.02 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 0.41 9.51 1.01 -1.03 0.01 121.20 128.59 2dn6 s ILE 36 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2dn6 s ILE 36 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 2dn6 s ILE 36 CO 0.00 -0.27 0.43 -0.94 0.00 0.00 0.00 174.94 174.16 2dn6 s SER 37 N 2.46 5.31 -0.17 3.58 1.04 -0.85 -0.96 113.70 124.11 2dn6 s SER 37 Ca 0.10 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 2dn6 s SER 37 Cb -0.14 -0.67 0.08 0.00 0.10 0.00 0.00 66.02 65.39 2dn6 s SER 37 CO -0.23 -0.65 0.33 -0.72 0.98 0.00 0.00 173.24 172.95 2dn6 s TYR 38 N -2.40 -0.59 -0.22 5.02 1.13 -1.25 0.12 117.35 119.15 2dn6 s TYR 38 Ca 0.49 1.09 -0.08 0.00 -1.41 0.00 0.00 57.07 57.16 2dn6 s TYR 38 Cb -0.06 0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2dn6 s TYR 38 CO 0.30 -0.46 0.09 0.71 -2.51 0.00 0.00 175.55 173.67 2dn6 s TYR 39 N 2.50 3.20 0.37 -3.49 1.51 0.18 -2.86 117.35 118.75 2dn6 s TYR 39 Ca 0.02 -0.06 0.31 0.00 -1.01 0.00 0.00 57.07 56.33 2dn6 s TYR 39 Cb -0.13 -2.19 1.19 0.00 -0.11 0.00 0.00 41.96 40.73 2dn6 s TYR 39 CO -0.11 -0.06 1.14 1.33 -1.11 0.00 0.00 175.55 176.74 2dn6 n VAL 40 N 4.25 -0.08 -4.58 0.71 0.24 -1.16 -1.35 118.33 116.35 2dn6 n VAL 40 Ca -0.16 1.19 -0.27 0.00 -2.04 0.00 0.00 64.34 63.06 2dn6 n VAL 40 Cb 0.52 -1.97 -0.09 0.00 -1.47 0.00 0.00 33.84 30.83 2dn6 n VAL 40 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dn6 s SER 41 N -4.10 3.18 -0.42 -1.34 0.15 -1.26 -4.05 113.70 105.87 2dn6 s SER 41 Ca -0.04 -1.60 0.03 0.00 0.70 0.00 0.00 55.95 55.04 2dn6 s SER 41 Cb 0.21 0.35 0.55 0.00 -1.71 0.00 0.00 66.02 65.42 2dn6 s SER 41 CO 0.63 -0.82 1.83 -1.84 1.20 0.00 0.00 173.24 174.24 2dn6 n GLU 42 N -0.98 2.14 0.00 5.44 0.28 -1.26 -4.08 120.64 122.18 2dn6 n GLU 42 Ca -0.09 -2.64 0.07 0.00 -0.16 0.00 0.00 57.16 54.34 2dn6 n GLU 42 Cb 0.66 -2.04 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 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 -0.88 0.90 -3.32 -1.84 9.92 -1.26 -4.99 116.55 115.08 2dn6 n ASP 43 Ca 0.52 -0.95 -0.24 0.00 -0.53 0.00 0.00 54.79 53.60 2dn6 n ASP 43 Cb 1.39 0.88 0.04 0.00 -0.64 0.00 0.00 41.12 42.79 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 -1.08 -2.72 -0.07 0.64 4.77 -1.26 -4.88 117.00 112.41 2dn6 n LEU 44 Ca 0.04 -0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 55.47 2dn6 n LEU 44 Cb 0.25 -2.84 -0.05 0.00 -2.33 0.00 0.00 43.42 38.45 2dn6 n LEU 44 CO 0.28 0.36 -0.94 0.29 -1.33 0.00 0.00 177.39 176.04 2dn6 n LYS 45 N -4.33 0.30 -3.60 3.23 4.76 -1.26 -4.95 118.16 112.31 2dn6 n LYS 45 Ca -0.05 0.10 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 2dn6 n LYS 45 Cb 0.58 -1.09 -0.11 0.00 -1.84 0.00 0.00 35.03 32.57 2dn6 n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2dn6 s ASP 46 N -5.82 5.73 0.01 4.39 2.15 -1.26 -5.08 116.67 116.80 2dn6 s ASP 46 Ca -0.18 -0.69 -0.01 0.00 0.43 0.00 0.00 52.55 52.09 2dn6 s ASP 46 Cb 0.06 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2dn6 s ASP 46 CO 0.26 -0.28 0.16 -0.75 -0.17 0.00 0.00 175.17 174.39 2dn6 s LYS 47 N 1.62 3.33 -0.18 4.34 2.20 -1.26 -3.00 119.74 126.79 2dn6 s LYS 47 Ca 0.04 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2dn6 s LYS 47 Cb -0.18 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 2dn6 s LYS 47 CO 0.07 0.65 -0.16 1.63 -0.36 0.00 0.00 175.35 177.18 2dn6 n LYS 48 N 0.81 0.43 -2.25 4.03 4.76 -1.13 -4.94 118.16 119.87 2dn6 n LYS 48 Ca -0.10 0.11 -0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2dn6 n LYS 48 Cb 0.52 -1.33 0.01 0.00 -1.84 0.00 0.00 35.03 32.39 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 2.59 0.92 3.07 0.72 0.00 -1.26 -5.08 105.19 106.15 2dn6 n GLY 49 Ca -0.31 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.76 -0.27 -0.71 1.61 1.11 -1.26 -3.82 116.67 111.56 2dn6 s ASP 50 Ca 0.07 0.54 -0.15 0.00 0.18 0.00 0.00 52.55 53.19 2dn6 s ASP 50 Cb -0.01 0.44 0.18 0.00 1.07 0.00 0.00 42.92 44.60 2dn6 s ASP 50 CO 0.01 -0.16 0.68 -0.63 1.18 0.00 0.00 175.17 176.25 2dn6 s ILE 51 N 1.12 5.40 -0.32 0.77 1.01 -0.13 -4.96 121.20 124.09 2dn6 s ILE 51 Ca -0.08 -2.01 -0.31 0.00 0.00 0.00 0.00 60.65 58.25 2dn6 s ILE 51 Cb -0.09 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 2dn6 s ILE 51 CO -0.08 -0.99 2.24 0.18 0.00 0.00 0.00 174.94 176.30 2dn6 n LEU 52 N 4.64 2.64 -4.71 2.97 4.77 -1.26 -2.47 117.00 123.58 2dn6 n LEU 52 Ca 0.03 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.80 2dn6 n LEU 52 Cb 0.44 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2dn6 n LEU 52 CO 0.43 -0.80 0.98 -0.76 -1.33 0.00 0.00 177.39 175.91 2dn6 s LEU 53 N 8.34 4.35 0.00 2.23 1.43 -1.25 -4.97 118.68 128.82 2dn6 s LEU 53 Ca 1.05 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 2dn6 s LEU 53 Cb -0.55 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 2dn6 s LEU 53 CO 0.40 -0.58 -0.01 -1.81 0.23 0.00 0.00 176.35 174.58 2dn6 s ASP 54 N 1.26 0.16 0.25 2.29 1.11 -1.26 -4.84 116.67 115.64 2dn6 s ASP 54 Ca 0.61 -0.09 0.14 0.00 0.18 0.00 0.00 52.55 53.40 2dn6 s ASP 54 Cb -0.31 -0.00 0.92 0.00 1.07 0.00 0.00 42.92 44.59 2dn6 s ASP 54 CO 0.28 -0.03 1.08 -1.84 1.18 0.00 0.00 175.17 175.85 2dn6 n GLU 55 N 2.85 -0.04 0.27 8.23 0.28 -1.26 0.13 120.64 131.10 2dn6 n GLU 55 Ca -0.14 0.95 -0.16 0.00 -0.16 0.00 0.00 57.16 57.65 2dn6 n GLU 55 Cb 0.59 -1.70 -0.08 0.00 1.43 0.00 0.00 31.44 31.68 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 -0.57 -2.03 -1.84 2.35 -1.95 -3.45 115.58 108.10 2dn6 h ASN 56 Ca 0.58 -0.04 -0.61 0.00 -0.55 0.00 0.00 56.30 55.68 2dn6 h ASN 56 Cb 1.53 0.15 0.15 0.00 0.05 0.00 0.00 38.32 40.20 2dn6 h ASN 56 CO -0.53 -0.31 -0.71 0.00 -1.65 0.00 0.00 177.43 174.23 2dn6 s VAL 59 N -3.86 1.90 0.16 0.00 0.11 -1.26 -0.48 120.40 116.97 2dn6 s VAL 59 Ca 0.08 -1.31 0.01 0.00 -2.93 0.00 0.00 61.98 57.84 2dn6 s VAL 59 Cb -0.02 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 2dn6 s VAL 59 CO -0.02 0.27 0.02 -1.61 -3.33 0.00 0.00 175.10 170.43 2dn6 s GLU 60 N -1.24 1.06 -0.16 1.54 0.41 0.66 -4.97 118.70 116.01 2dn6 s GLU 60 Ca 0.10 -1.51 -0.06 0.00 -0.41 0.00 0.00 54.97 53.08 2dn6 s GLU 60 Cb -0.09 -0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.10 2dn6 s GLU 60 CO 0.02 -0.17 0.06 -1.54 -0.49 0.00 0.00 175.26 173.14 2dn6 s SER 61 N -3.14 5.67 0.05 -0.19 1.04 -1.26 -0.88 113.70 114.99 2dn6 s SER 61 Ca 0.24 0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.88 2dn6 s SER 61 Cb 0.07 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 2dn6 s SER 61 CO 0.03 0.24 -0.13 -0.76 0.98 0.00 0.00 173.24 173.61 2dn6 s LEU 62 N -0.04 2.88 0.00 2.42 1.43 -0.33 -4.89 118.68 120.16 2dn6 s LEU 62 Ca 0.06 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2dn6 s LEU 62 Cb -0.12 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2dn6 s LEU 62 CO 0.01 0.24 0.00 -0.81 0.23 0.00 0.00 176.35 176.02 2dn6 n PRO 63 N 1.33 -0.83 -2.71 1.29 -0.04 -1.26 -2.99 135.00 129.80 2dn6 n PRO 63 Ca -0.15 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 -0.03 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 7.23 -0.02 3.54 1.47 -1.26 -4.56 116.67 121.55 2dn6 s ASP 64 Ca 0.00 1.51 0.00 0.00 1.18 0.00 0.00 52.55 55.25 2dn6 s ASP 64 Cb 0.00 -2.55 -0.01 0.00 -0.34 0.00 0.00 42.92 40.02 2dn6 s ASP 64 CO 0.00 -0.43 -0.02 2.29 0.68 0.00 0.00 175.17 177.70 2dn6 n LYS 65 N 4.94 0.22 -3.50 2.11 2.85 -1.26 -4.91 118.16 118.61 2dn6 n LYS 65 Ca 0.08 0.01 -0.27 0.00 -1.05 0.00 0.00 58.31 57.08 2dn6 n LYS 65 Cb 0.49 -1.04 -0.10 0.00 -0.65 0.00 0.00 35.03 33.73 2dn6 n LYS 65 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dn6 n ASP 66 N -2.53 0.62 -4.07 -5.58 2.03 -1.26 -4.91 116.55 100.85 2dn6 n ASP 66 Ca -0.03 -2.66 -0.30 0.00 0.52 0.00 0.00 54.79 52.32 2dn6 n ASP 66 Cb 0.54 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.39 -0.34 3.89 0.27 0.00 -1.26 -4.96 105.19 105.19 2dn6 n GLY 67 Ca 0.27 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.73 2.29 0.10 1.61 -0.14 -1.26 -5.08 119.74 110.52 2dn6 s LYS 68 Ca 0.37 -1.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 2dn6 s LYS 68 Cb -0.20 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2dn6 s LYS 68 CO 0.90 -0.54 0.00 1.63 -0.76 0.00 0.00 175.35 176.59 2dn6 n LYS 69 N -1.71 0.00 -3.85 1.68 4.01 -1.26 -4.71 118.16 112.32 2dn6 n LYS 69 Ca -0.01 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2dn6 n LYS 69 Cb 0.64 -0.32 -0.14 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 0.31 4.28 -0.26 0.00 1.43 -1.16 -2.75 118.68 120.53 2dn6 s LEU 71 Ca 0.16 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 2dn6 s LEU 71 Cb -0.24 -2.84 0.07 0.00 0.03 0.00 0.00 46.19 43.22 2dn6 s LEU 71 CO -0.03 0.00 0.64 0.72 0.23 0.00 0.00 176.35 177.91 2dn6 s PHE 72 N -1.85 -0.92 0.18 0.29 -0.12 -1.10 -1.18 117.98 113.28 2dn6 s PHE 72 Ca 0.34 1.93 0.11 0.00 -0.05 0.00 0.00 56.93 59.26 2dn6 s PHE 72 Cb -0.10 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2dn6 s PHE 72 CO 0.28 -0.46 -0.24 -1.17 -0.05 0.00 0.00 175.22 173.58 2dn6 s LEU 73 N 1.33 2.42 -0.14 -1.99 0.20 -0.06 -2.41 118.68 118.03 2dn6 s LEU 73 Ca -0.08 -0.85 -0.00 0.00 0.69 0.00 0.00 54.13 53.88 2dn6 s LEU 73 Cb -0.05 -1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 44.55 2dn6 s LEU 73 CO -0.14 0.12 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.21 2dn6 s VAL 74 N -1.64 3.00 -0.24 1.68 1.01 0.60 -0.24 120.40 124.57 2dn6 s VAL 74 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2dn6 s VAL 74 Cb -0.08 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2dn6 s VAL 74 CO 0.09 0.52 0.02 -0.54 0.00 0.00 0.00 175.10 175.19 2dn6 s LYS 75 N 0.52 3.53 0.51 2.72 1.02 0.37 -1.81 119.74 126.60 2dn6 s LYS 75 Ca -0.09 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.41 2dn6 s LYS 75 Cb -0.16 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2dn6 s LYS 75 CO 0.04 -0.20 0.29 0.00 -0.92 0.00 0.00 175.35 174.56 2dn6 n PHE 77 N -1.56 -0.04 0.00 0.00 3.72 -1.26 -4.04 117.46 114.28 2dn6 n PHE 77 Ca -0.05 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2dn6 n PHE 77 Cb 0.65 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -2.93 3.48 -4.88 4.37 8.00 -1.26 -5.07 116.55 118.26 2dn6 n ASP 78 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2dn6 n ASP 78 Cb 0.03 0.27 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.74 3.57 0.06 -1.24 -0.14 -1.26 -5.10 119.74 113.91 2dn6 s LYS 79 Ca 0.00 0.57 -0.05 0.00 -1.36 0.00 0.00 55.97 55.13 2dn6 s LYS 79 Cb 0.00 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 2dn6 s LYS 79 CO 0.00 -0.46 0.09 0.95 -0.76 0.00 0.00 175.35 175.17 2dn6 s THR 80 N -3.04 0.17 -0.07 2.17 -4.23 -1.26 -1.48 115.64 107.90 2dn6 s THR 80 Ca 0.53 -1.40 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 2dn6 s THR 80 Cb -0.11 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.45 2dn6 s THR 80 CO 0.51 -0.77 0.16 -0.36 -0.54 0.00 0.00 174.62 173.62 2dn6 s PHE 81 N -3.64 -0.19 -0.20 3.99 0.40 -0.75 -5.01 117.98 112.58 2dn6 s PHE 81 Ca 0.04 0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 2dn6 s PHE 81 Cb 0.05 -0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.49 2dn6 s PHE 81 CO -0.09 -0.18 -0.05 -2.00 0.70 0.00 0.00 175.22 173.59 2dn6 s GLU 82 N 1.22 3.42 0.10 0.44 2.12 -1.26 -0.29 118.70 124.45 2dn6 s GLU 82 Ca -0.09 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.68 2dn6 s GLU 82 Cb -0.11 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2dn6 s GLU 82 CO -0.06 -0.08 -0.14 0.42 -0.54 0.00 0.00 175.26 174.86 2dn6 s ILE 83 N 1.17 1.21 -0.04 -3.70 1.01 -1.01 -1.23 121.20 118.61 2dn6 s ILE 83 Ca 0.02 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.19 2dn6 s ILE 83 Cb -0.14 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2dn6 s ILE 83 CO -0.01 -0.34 -0.20 -0.55 0.00 0.00 0.00 174.94 173.84 2dn6 s SER 84 N -2.14 2.44 0.15 3.58 0.15 0.27 -2.70 113.70 115.44 2dn6 s SER 84 Ca 0.04 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.31 2dn6 s SER 84 Cb -0.07 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.57 2dn6 s SER 84 CO 0.02 0.19 0.28 0.00 1.20 0.00 0.00 173.24 174.94 2dn6 s ALA 85 N -0.08 3.97 -0.19 5.45 0.00 -1.11 -2.83 121.76 126.98 2dn6 s ALA 85 Ca -0.02 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 2dn6 s ALA 85 Cb -0.12 -1.79 -0.21 0.00 0.00 0.00 0.00 23.12 21.01 2dn6 s ALA 85 CO 0.02 0.55 0.28 1.03 0.00 0.00 0.00 175.76 177.64 2dn6 h SER 86 N 2.18 0.08 -3.24 0.00 0.87 -1.92 -3.41 113.55 108.11 2dn6 h SER 86 Ca -0.48 -0.61 -0.65 0.00 -1.23 0.00 0.00 61.79 58.82 2dn6 h SER 86 Cb 1.19 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 63.02 2dn6 h SER 86 CO 0.69 1.53 -0.62 -1.81 -0.53 0.00 0.00 176.83 176.09 2dn6 s ASP 87 N -6.87 5.37 0.22 6.23 1.11 -1.26 -4.89 116.67 116.59 2dn6 s ASP 87 Ca -0.27 -0.00 -0.08 0.00 0.18 0.00 0.00 52.55 52.38 2dn6 s ASP 87 Cb 0.06 -1.43 0.30 0.00 1.07 0.00 0.00 42.92 42.92 2dn6 s ASP 87 CO 0.63 0.22 1.79 0.07 1.18 0.00 0.00 175.17 179.06 2dn6 h LYS 88 N 3.75 0.62 -0.92 8.23 2.10 -1.95 -1.07 116.57 127.33 2dn6 h LYS 88 Ca -0.48 -0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.21 2dn6 h LYS 88 Cb 1.17 -0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 32.30 2dn6 h LYS 88 CO 0.62 0.41 0.60 -0.22 -2.00 0.00 0.00 179.45 178.85 2dn6 h LYS 89 N 0.63 0.97 0.74 0.07 3.64 -1.99 -2.24 116.57 118.40 2dn6 h LYS 89 Ca 0.33 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2dn6 h LYS 89 Cb 0.31 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2dn6 h LYS 89 CO -0.24 0.64 -0.36 0.87 -2.27 0.00 0.00 179.45 178.10 2dn6 h LYS 90 N 1.00 -0.96 -0.34 1.90 1.57 -1.62 0.49 116.57 118.61 2dn6 h LYS 90 Ca 0.41 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.30 2dn6 h LYS 90 Cb 0.28 0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.73 2dn6 h LYS 90 CO -0.17 -0.62 -0.55 -0.22 -0.57 0.00 0.00 179.45 177.33 2dn6 h LYS 91 N -1.14 -0.42 0.49 3.15 3.11 -1.19 0.24 116.57 120.80 2dn6 h LYS 91 Ca -0.10 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 2dn6 h LYS 91 Cb 0.79 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 2dn6 h LYS 91 CO 0.17 -0.28 -0.46 0.37 -2.81 0.00 0.00 179.45 176.43 2dn6 h GLN 92 N -0.44 -0.92 -0.49 1.90 4.15 -1.45 -1.90 115.11 115.96 2dn6 h GLN 92 Ca 0.07 0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.61 2dn6 h GLN 92 Cb 0.62 0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.43 2dn6 h GLN 92 CO -0.56 -0.62 -0.55 0.93 -1.93 0.00 0.00 178.83 176.10 2dn6 h GLU 93 N -0.96 -0.33 -0.25 1.69 4.39 -0.47 0.20 114.58 118.86 2dn6 h GLU 93 Ca -0.06 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2dn6 h GLU 93 Cb 0.83 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.50 2dn6 h GLU 93 CO -0.05 -0.22 -0.41 -1.49 -1.16 0.00 0.00 179.01 175.69 2dn6 h TRP 94 N -0.34 -1.24 -0.56 4.33 4.06 -0.43 0.29 115.95 122.07 2dn6 h TRP 94 Ca 0.09 0.06 0.11 0.00 2.06 0.00 0.00 58.89 61.21 2dn6 h TRP 94 Cb 0.57 0.57 -0.10 0.00 -1.00 0.00 0.00 29.16 29.20 2dn6 h TRP 94 CO -0.76 -0.37 -0.10 0.82 -3.56 0.00 0.00 178.44 174.47 2dn6 h ILE 95 N -0.32 0.47 -0.76 1.49 2.04 -0.75 0.21 117.51 119.89 2dn6 h ILE 95 Ca 0.05 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2dn6 h ILE 95 Cb 0.45 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2dn6 h ILE 95 CO -0.41 0.01 0.44 1.56 0.00 0.00 0.00 178.15 179.75 2dn6 h GLN 96 N 0.03 0.78 0.46 2.37 1.08 0.45 0.25 115.11 120.51 2dn6 h GLN 96 Ca 0.27 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2dn6 h GLN 96 Cb 0.42 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2dn6 h GLN 96 CO -0.55 0.51 -0.22 0.00 -0.95 0.00 0.00 178.83 177.63 2dn6 h ALA 97 N 1.39 -0.61 -0.18 3.87 0.00 0.15 -2.41 119.26 121.46 2dn6 h ALA 97 Ca 0.34 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2dn6 h ALA 97 Cb 0.22 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2dn6 h ALA 97 CO -0.19 -0.69 -0.09 0.82 0.00 0.00 0.00 179.25 179.09 2dn6 h ILE 98 N -0.92 0.70 -0.47 0.00 2.04 -0.49 0.26 117.51 118.63 2dn6 h ILE 98 Ca -0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.89 2dn6 h ILE 98 Cb 0.58 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 2dn6 h ILE 98 CO 0.10 0.00 -0.14 -0.74 0.00 0.00 0.00 178.15 177.38 2dn6 h HIS 99 N -0.08 -0.31 -0.58 1.37 2.76 -0.56 -1.05 115.15 116.70 2dn6 h HIS 99 Ca 0.10 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2dn6 h HIS 99 Cb 0.23 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2dn6 h HIS 99 CO -0.25 -0.22 0.25 0.77 -1.30 0.00 0.00 177.93 177.18 2dn6 h SER 100 N -0.03 0.79 -0.55 3.26 0.02 -0.95 -2.71 113.55 113.39 2dn6 h SER 100 Ca 0.23 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.13 2dn6 h SER 100 Cb 0.37 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 2dn6 h SER 100 CO -0.50 0.73 -0.01 0.74 -1.14 0.00 0.00 176.83 176.66 2dn6 h THR 101 N 0.80 0.55 -0.25 -2.27 2.02 0.30 -1.59 112.91 112.47 2dn6 h THR 101 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2dn6 h THR 101 Cb 0.18 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2dn6 h THR 101 CO -0.02 0.02 0.14 0.40 0.37 0.00 0.00 175.52 176.43 2dn6 h ILE 102 N 0.11 1.12 -0.99 3.11 2.04 -1.17 -2.67 117.51 119.05 2dn6 h ILE 102 Ca 0.28 -0.30 0.34 0.00 1.00 0.00 0.00 64.86 66.18 2dn6 h ILE 102 Cb 0.44 0.86 -0.16 0.00 -0.74 0.00 0.00 36.82 37.21 2dn6 h ILE 102 CO -0.47 0.11 0.51 -0.74 0.00 0.00 0.00 178.15 177.56 2dn6 h HIS 103 N 0.30 0.81 -0.85 1.37 2.76 -0.98 1.02 115.15 119.59 2dn6 h HIS 103 Ca 0.09 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2dn6 h HIS 103 Cb 0.06 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.77 2dn6 h HIS 103 CO -0.04 -0.28 0.56 -0.07 -1.30 0.00 0.00 177.93 176.80 2dn6 h LEU 104 N 0.20 0.82 -0.95 0.26 3.38 -1.24 -1.02 115.31 116.77 2dn6 h LEU 104 Ca 0.75 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.63 2dn6 h LEU 104 Cb 1.78 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 2dn6 h LEU 104 CO -0.67 0.52 -0.27 -0.07 0.09 0.00 0.00 178.44 178.03 2dn6 h LEU 105 N 0.93 0.44 -0.53 1.67 3.38 0.10 -3.03 115.31 118.28 2dn6 h LEU 105 Ca 0.37 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.23 2dn6 h LEU 105 Cb 0.25 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2dn6 h LEU 105 CO -0.14 0.71 0.27 0.11 0.09 0.00 0.00 178.44 179.48 2dn6 h LYS 106 N 0.39 0.51 -0.95 1.13 1.57 -0.85 -2.22 116.57 116.15 2dn6 h LYS 106 Ca 0.05 -0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.09 2dn6 h LYS 106 Cb 0.68 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 32.72 2dn6 h LYS 106 CO 0.05 0.34 0.25 -0.07 -0.57 0.00 0.00 179.45 179.45 2dn6 h LEU 107 N 0.52 -0.06 0.00 2.94 -0.00 -1.39 -3.02 115.31 114.30 2dn6 h LEU 107 Ca 0.24 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 2dn6 h LEU 107 Cb 0.15 0.33 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2dn6 h LEU 107 CO -0.16 -0.27 0.00 0.61 -0.00 0.00 0.00 178.44 178.61 2dn6 n GLY 108 N -1.39 -1.45 3.35 0.83 0.00 -0.83 -4.28 105.19 101.42 2dn6 n GLY 108 Ca 0.26 0.31 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 2dn6 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn6 s SER 109 N -2.34 4.82 -0.27 1.61 0.15 -1.14 -4.97 113.70 111.56 2dn6 s SER 109 Ca 0.00 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.00 2dn6 s SER 109 Cb 0.00 -1.83 -0.11 0.00 -1.71 0.00 0.00 66.02 62.36 2dn6 s SER 109 CO 0.00 -0.10 -0.36 -1.20 1.20 0.00 0.00 173.24 172.78 2dn6 n SER 110 N 4.85 1.96 0.00 5.45 7.64 -1.26 -4.93 113.62 127.32 2dn6 n SER 110 Ca -0.16 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2dn6 n SER 110 Cb 0.50 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2dn6 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn6 n GLY 111 N 1.28 0.52 2.85 0.23 0.00 -1.26 -5.10 105.19 103.71 2dn6 n GLY 111 Ca -0.50 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.76 -2.66 1.61 -0.04 -1.26 -4.98 135.00 124.91 2dn6 n PRO 112 Ca 0.00 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.62 2dn6 n PRO 112 Cb 0.00 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 2dn6 n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dn6 s SER 113 N -3.90 7.35 0.37 3.54 0.01 -1.26 -5.05 113.70 114.76 2dn6 s SER 113 Ca 0.58 1.76 -0.00 0.00 1.31 0.00 0.00 55.95 59.60 2dn6 s SER 113 Cb -0.06 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2dn6 s SER 113 CO 0.44 -0.24 0.58 -0.55 0.41 0.00 0.00 173.24 173.88 2dn6 s SER 114 N 0.73 6.27 0.00 2.44 0.15 -1.26 -5.28 113.70 116.75 2dn6 s SER 114 Ca 0.52 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.93 2dn6 s SER 114 Cb -0.23 -2.04 0.61 0.00 -1.71 0.00 0.00 66.02 62.65 2dn6 s SER 114 CO 0.29 -0.35 1.50 0.61 1.20 0.00 0.00 173.24 176.49