#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dv6 s ILE 2 N 0.00 4.79 -0.23 5.18 1.01 -1.26 -5.00 121.20 125.69 3dv6 s ILE 2 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 3dv6 s ILE 2 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3dv6 s ILE 2 CO 0.00 -0.06 0.05 -0.69 0.00 0.00 0.00 174.94 174.23 3dv6 s VAL 3 N 2.59 4.18 -0.23 2.92 1.01 -1.26 -4.92 120.40 124.69 3dv6 s VAL 3 Ca 0.41 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3dv6 s VAL 3 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3dv6 s VAL 3 CO 0.10 0.37 0.12 -0.76 0.00 0.00 0.00 175.10 174.93 3dv6 s LEU 4 N 1.40 3.92 -0.16 3.92 1.43 -1.26 -1.35 118.68 126.58 3dv6 s LEU 4 Ca 0.05 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3dv6 s LEU 4 Cb -0.15 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3dv6 s LEU 4 CO 0.02 0.08 -0.08 0.42 0.23 0.00 0.00 176.35 177.02 3dv6 s THR 5 N 0.96 3.36 -0.03 5.49 -4.23 0.59 -4.20 115.64 117.57 3dv6 s THR 5 Ca 0.06 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3dv6 s THR 5 Cb -0.13 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 3dv6 s THR 5 CO 0.03 0.49 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.48 3dv6 s GLN 6 N 0.65 2.78 -0.07 3.99 -0.21 -1.26 -0.35 119.66 125.18 3dv6 s GLN 6 Ca -0.05 -0.57 -0.06 0.00 0.02 0.00 0.00 55.36 54.70 3dv6 s GLN 6 Cb -0.15 -2.65 0.02 0.00 1.00 0.00 0.00 33.01 31.23 3dv6 s GLN 6 CO 0.02 0.65 0.18 0.45 -2.12 0.00 0.00 175.29 174.47 3dv6 s SER 7 N -1.24 -0.19 0.99 5.90 0.15 -0.42 -4.40 113.70 114.49 3dv6 s SER 7 Ca 0.16 0.37 -0.16 0.00 0.70 0.00 0.00 55.95 57.02 3dv6 s SER 7 Cb -0.11 0.36 0.20 0.00 -1.71 0.00 0.00 66.02 64.76 3dv6 s SER 7 CO 0.06 -0.07 1.26 -2.16 1.20 0.00 0.00 173.24 173.53 3dv6 s PRO 8 N 0.20 0.45 0.24 5.44 0.04 -1.26 0.88 135.00 141.00 3dv6 s PRO 8 Ca -0.01 -0.24 -0.03 0.00 0.04 0.00 0.00 61.00 60.76 3dv6 s PRO 8 Cb -0.02 -1.81 0.26 0.00 0.04 0.00 0.00 34.50 32.97 3dv6 s PRO 8 CO -0.00 -2.57 1.70 0.77 0.04 0.00 0.00 177.00 176.94 3dv6 h SER 9 N -1.75 0.79 -4.89 6.66 0.02 -1.84 -3.41 113.55 109.13 3dv6 h SER 9 Ca -0.45 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.19 3dv6 h SER 9 Cb 1.26 -0.21 -0.20 0.00 0.14 0.00 0.00 62.40 63.39 3dv6 h SER 9 CO 0.42 0.90 -0.00 -0.55 -1.14 0.00 0.00 176.83 176.46 3dv6 s SER 10 N -6.68 -0.48 0.14 3.07 0.15 -1.26 -1.32 113.70 107.32 3dv6 s SER 10 Ca -0.10 0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.94 3dv6 s SER 10 Cb 0.14 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3dv6 s SER 10 CO 0.82 -0.51 0.39 -1.48 1.20 0.00 0.00 173.24 173.66 3dv6 s LEU 11 N -1.09 0.53 -0.03 3.45 2.34 0.18 -4.92 118.68 119.15 3dv6 s LEU 11 Ca -0.11 -0.49 0.01 0.00 0.06 0.00 0.00 54.13 53.60 3dv6 s LEU 11 Cb -0.02 1.72 0.02 0.00 -0.56 0.00 0.00 46.19 47.34 3dv6 s LEU 11 CO 0.07 -0.90 -0.02 0.00 -1.06 0.00 0.00 176.35 174.45 3dv6 s ALA 12 N -3.85 0.38 0.12 1.48 0.00 -1.26 -0.77 121.76 117.85 3dv6 s ALA 12 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 3dv6 s ALA 12 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3dv6 s ALA 12 CO -0.08 -0.03 0.04 0.14 0.00 0.00 0.00 175.76 175.84 3dv6 s VAL 13 N 0.76 0.13 0.43 0.00 -7.23 -0.80 -4.99 120.40 108.70 3dv6 s VAL 13 Ca -0.08 -1.90 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 3dv6 s VAL 13 Cb -0.11 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 3dv6 s VAL 13 CO -0.01 -0.54 0.75 -0.44 -0.31 0.00 0.00 175.10 174.54 3dv6 s SER 14 N -3.03 6.36 0.36 4.85 0.01 -1.26 -1.63 113.70 119.35 3dv6 s SER 14 Ca 0.22 0.95 -0.28 0.00 1.31 0.00 0.00 55.95 58.14 3dv6 s SER 14 Cb 0.08 -2.25 -0.12 0.00 0.21 0.00 0.00 66.02 63.94 3dv6 s SER 14 CO 0.00 -0.47 1.44 0.00 0.41 0.00 0.00 173.24 174.62 3dv6 n ALA 15 N -1.82 2.07 0.00 1.44 0.00 -1.26 -3.13 120.51 117.81 3dv6 n ALA 15 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3dv6 n ALA 15 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3dv6 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dv6 n GLY 16 N 0.75 3.02 3.97 0.00 0.00 0.13 -4.91 105.19 108.14 3dv6 n GLY 16 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3dv6 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dv6 s GLU 17 N -0.54 1.89 -0.15 1.61 -1.05 -1.18 -4.05 118.70 115.23 3dv6 s GLU 17 Ca 0.00 -0.78 -0.07 0.00 -0.15 0.00 0.00 54.97 53.97 3dv6 s GLU 17 Cb 0.00 -2.28 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 3dv6 s GLU 17 CO 0.00 -1.33 0.11 0.50 0.95 0.00 0.00 175.26 175.49 3dv6 s ARG 18 N -5.15 3.71 0.08 -4.83 3.52 -1.26 -0.99 118.95 114.04 3dv6 s ARG 18 Ca 0.64 -0.22 0.06 0.00 -0.13 0.00 0.00 55.73 56.08 3dv6 s ARG 18 Cb -0.08 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3dv6 s ARG 18 CO 0.44 0.54 -0.17 0.14 -0.81 0.00 0.00 175.30 175.44 3dv6 s VAL 19 N -0.36 1.37 0.05 7.11 -7.23 -0.95 -4.99 120.40 115.40 3dv6 s VAL 19 Ca 0.11 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 3dv6 s VAL 19 Cb -0.12 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 3dv6 s VAL 19 CO 0.01 -0.14 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.66 3dv6 s THR 20 N -1.21 0.87 -0.02 5.32 2.01 -1.26 -0.92 115.64 120.44 3dv6 s THR 20 Ca 0.02 -1.16 -0.17 0.00 0.31 0.00 0.00 61.69 60.69 3dv6 s THR 20 Cb -0.10 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.57 3dv6 s THR 20 CO 0.03 -0.25 0.35 0.00 -0.69 0.00 0.00 174.62 174.06 3dv6 s MET 21 N -1.57 0.71 -0.04 4.92 0.23 -0.72 -4.81 119.30 118.01 3dv6 s MET 21 Ca -0.05 -0.15 0.01 0.00 -1.03 0.00 0.00 55.69 54.47 3dv6 s MET 21 Cb -0.10 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3dv6 s MET 21 CO 0.01 -0.20 -0.04 -1.12 -2.03 0.00 0.00 175.02 171.64 3dv6 s SER 22 N -1.34 4.85 -0.18 -1.18 0.01 0.25 -1.54 113.70 114.59 3dv6 s SER 22 Ca -0.13 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.12 3dv6 s SER 22 Cb -0.05 -1.24 0.03 0.00 0.21 0.00 0.00 66.02 64.98 3dv6 s SER 22 CO 0.05 0.33 -0.13 0.00 0.41 0.00 0.00 173.24 173.89 3dv6 s LYS 24 N 1.42 3.52 -0.12 0.00 2.47 0.52 -0.97 119.74 126.58 3dv6 s LYS 24 Ca 0.02 -0.57 -0.06 0.00 -1.56 0.00 0.00 55.97 53.80 3dv6 s LYS 24 Cb -0.14 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 33.20 3dv6 s LYS 24 CO -0.10 -0.01 0.11 0.45 0.16 0.00 0.00 175.35 175.97 3dv6 s SER 25 N 1.01 6.17 0.37 1.43 0.15 0.71 -0.30 113.70 123.24 3dv6 s SER 25 Ca 0.01 0.40 0.07 0.00 0.70 0.00 0.00 55.95 57.12 3dv6 s SER 25 Cb -0.15 -1.96 0.73 0.00 -1.71 0.00 0.00 66.02 62.93 3dv6 s SER 25 CO 0.01 0.39 1.93 0.28 1.20 0.00 0.00 173.24 177.05 3dv6 h SER 26 N 5.10 0.40 -4.43 5.45 0.02 -1.53 -3.44 113.55 115.11 3dv6 h SER 26 Ca -0.53 -0.06 -0.43 0.00 -0.84 0.00 0.00 61.79 59.92 3dv6 h SER 26 Cb 1.22 -0.10 -0.22 0.00 0.14 0.00 0.00 62.40 63.44 3dv6 h SER 26 CO 0.58 0.45 -0.79 -1.10 -1.14 0.00 0.00 176.83 174.83 3dv6 s GLN 27 N -5.02 0.86 0.21 3.45 -0.21 -1.26 -4.97 119.66 112.72 3dv6 s GLN 27 Ca -0.07 -0.97 -0.32 0.00 0.02 0.00 0.00 55.36 54.02 3dv6 s GLN 27 Cb 0.16 -0.90 -0.13 0.00 1.00 0.00 0.00 33.01 33.13 3dv6 s GLN 27 CO 0.75 0.20 1.51 0.45 -2.12 0.00 0.00 175.29 176.08 3dv6 n SER 27 N 1.29 3.04 -1.28 5.90 2.88 -1.26 -4.64 113.62 119.55 3dv6 n SER 27 Ca -0.21 1.11 0.09 0.00 -1.33 0.00 0.00 58.87 58.54 3dv6 n SER 27 Cb 0.54 -1.45 0.30 0.00 -0.75 0.00 0.00 64.21 62.86 3dv6 n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dv6 n LEU 27 N 2.79 4.14 -4.69 2.46 4.77 0.95 -4.94 117.00 122.48 3dv6 n LEU 27 Ca 0.14 -2.31 -0.41 0.00 -0.03 0.00 0.00 56.01 53.40 3dv6 n LEU 27 Cb 0.31 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 3dv6 n LEU 27 CO 0.63 0.83 0.58 0.12 -1.33 0.00 0.00 177.39 178.22 3dv6 s PHE 27 N -1.57 3.51 -0.32 -1.77 5.36 -1.26 0.25 117.98 122.19 3dv6 s PHE 27 Ca 0.44 1.36 -0.11 0.00 -0.96 0.00 0.00 56.93 57.66 3dv6 s PHE 27 Cb 0.27 -2.99 -0.02 0.00 -0.34 0.00 0.00 43.02 39.95 3dv6 s PHE 27 CO 0.24 -0.11 0.19 0.21 -1.46 0.00 0.00 175.22 174.29 3dv6 s LYS 27 N 1.55 3.50 0.09 10.12 2.47 0.15 -4.97 119.74 132.65 3dv6 s LYS 27 Ca 0.41 -0.62 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 3dv6 s LYS 27 Cb -0.18 -3.68 -0.15 0.00 -1.46 0.00 0.00 37.83 32.36 3dv6 s LYS 27 CO 0.17 -0.39 1.64 1.03 0.16 0.00 0.00 175.35 177.96 3dv6 h SER 27 N 8.41 -0.73 -0.46 1.43 0.87 -1.96 0.40 113.55 121.52 3dv6 h SER 27 Ca -0.32 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 3dv6 h SER 27 Cb 1.16 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.28 3dv6 h SER 27 CO 0.61 -0.44 -0.23 -1.14 -0.53 0.00 0.00 176.83 175.09 3dv6 n ARG 27 N -5.42 -0.17 -0.01 2.24 0.63 -1.26 -1.52 116.66 111.15 3dv6 n ARG 27 Ca -0.11 0.69 0.01 0.00 -0.92 0.00 0.00 57.85 57.52 3dv6 n ARG 27 Cb 0.32 -1.02 0.01 0.00 0.45 0.00 0.00 32.46 32.22 3dv6 n ARG 27 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3dv6 n ASN 28 N -4.61 1.70 -3.83 6.15 2.04 -1.22 -5.00 115.26 110.50 3dv6 n ASN 28 Ca 0.02 -1.60 -0.28 0.00 -0.44 0.00 0.00 54.58 52.28 3dv6 n ASN 28 Cb 0.14 -0.02 0.04 0.00 -2.53 0.00 0.00 39.78 37.41 3dv6 n ASN 28 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3dv6 n GLN 29 N -0.17 -5.95 -4.41 -3.83 1.13 0.14 -4.98 117.38 99.29 3dv6 n GLN 29 Ca 0.01 0.65 -0.31 0.00 -1.94 0.00 0.00 57.00 55.41 3dv6 n GLN 29 Cb 0.17 -5.54 -0.11 0.00 0.11 0.00 0.00 30.24 24.88 3dv6 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dv6 s LYS 30 N -6.48 2.28 -0.25 -1.09 -0.14 -1.06 -4.89 119.74 108.11 3dv6 s LYS 30 Ca 0.57 -0.90 -0.16 0.00 -1.36 0.00 0.00 55.97 54.13 3dv6 s LYS 30 Cb -0.28 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 3dv6 s LYS 30 CO 0.81 0.55 0.40 -0.80 -0.76 0.00 0.00 175.35 175.55 3dv6 s ASN 31 N -1.74 6.34 -1.31 2.83 0.01 -1.26 0.30 114.94 120.11 3dv6 s ASN 31 Ca 0.18 0.40 -0.07 0.00 -0.71 0.00 0.00 52.86 52.66 3dv6 s ASN 31 Cb -0.11 -2.23 0.14 0.00 0.41 0.00 0.00 41.25 39.46 3dv6 s ASN 31 CO 0.10 -0.16 2.16 -1.22 -1.51 0.00 0.00 177.10 176.46 3dv6 n TYR 32 N 5.07 2.74 -4.18 2.20 4.01 0.14 -3.28 117.16 123.85 3dv6 n TYR 32 Ca -0.08 -2.81 -0.16 0.00 -0.16 0.00 0.00 57.90 54.69 3dv6 n TYR 32 Cb 0.51 -1.90 -0.15 0.00 -0.31 0.00 0.00 39.34 37.49 3dv6 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3dv6 s LEU 33 N -1.15 1.98 0.05 7.72 0.20 -1.26 -0.94 118.68 125.28 3dv6 s LEU 33 Ca 0.48 -0.10 0.04 0.00 0.69 0.00 0.00 54.13 55.23 3dv6 s LEU 33 Cb 0.14 -0.30 -0.03 0.00 -0.43 0.00 0.00 46.19 45.58 3dv6 s LEU 33 CO -0.05 0.06 -0.11 0.00 -0.29 0.00 0.00 176.35 175.97 3dv6 s ALA 34 N -0.09 0.86 -0.07 5.97 0.00 0.04 -0.79 121.76 127.68 3dv6 s ALA 34 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3dv6 s ALA 34 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3dv6 s ALA 34 CO -0.00 0.07 -0.07 -1.58 0.00 0.00 0.00 175.76 174.18 3dv6 s TRP 35 N -1.29 2.93 0.04 0.00 0.52 0.00 -0.01 118.94 121.13 3dv6 s TRP 35 Ca -0.06 0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.15 3dv6 s TRP 35 Cb -0.10 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3dv6 s TRP 35 CO 0.01 0.33 -0.19 0.71 0.02 0.00 0.00 176.95 177.83 3dv6 s TYR 36 N -0.81 1.69 -0.18 -1.98 1.51 0.97 -0.61 117.35 117.93 3dv6 s TYR 36 Ca 0.12 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3dv6 s TYR 36 Cb -0.11 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3dv6 s TYR 36 CO 0.02 0.08 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.30 3dv6 s GLN 37 N -1.15 3.38 -0.35 -0.62 0.74 0.71 -1.25 119.66 121.12 3dv6 s GLN 37 Ca 0.06 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 54.86 3dv6 s GLN 37 Cb -0.09 -2.82 0.10 0.00 1.10 0.00 0.00 33.01 31.30 3dv6 s GLN 37 CO 0.02 0.00 0.06 -1.14 -0.55 0.00 0.00 175.29 173.67 3dv6 s GLN 38 N 0.92 1.50 0.53 1.67 0.74 -0.39 -0.08 119.66 124.55 3dv6 s GLN 38 Ca -0.02 -1.89 -0.22 0.00 0.05 0.00 0.00 55.36 53.28 3dv6 s GLN 38 Cb -0.15 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 3dv6 s GLN 38 CO 0.00 -0.95 1.33 0.15 -0.55 0.00 0.00 175.29 175.27 3dv6 s LYS 39 N 0.88 3.24 0.17 1.67 1.02 -1.26 -1.89 119.74 123.57 3dv6 s LYS 39 Ca 0.11 2.16 -0.33 0.00 0.02 0.00 0.00 55.97 57.93 3dv6 s LYS 39 Cb -0.19 -2.28 -0.15 0.00 -0.52 0.00 0.00 37.83 34.69 3dv6 s LYS 39 CO -0.08 -1.08 1.40 -2.30 -0.92 0.00 0.00 175.35 172.37 3dv6 n PRO 40 N -0.94 1.73 -1.15 -1.68 -0.02 -1.26 -1.32 135.00 130.37 3dv6 n PRO 40 Ca 0.10 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3dv6 n PRO 40 Cb 0.45 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3dv6 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dv6 n GLY 41 N 2.59 0.66 3.52 -1.23 0.00 -1.26 -4.98 105.19 104.48 3dv6 n GLY 41 Ca 0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3dv6 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dv6 s GLN 42 N -1.99 1.76 0.46 1.61 -0.21 -0.43 -5.13 119.66 115.73 3dv6 s GLN 42 Ca 0.00 -1.91 -0.21 0.00 0.02 0.00 0.00 55.36 53.26 3dv6 s GLN 42 Cb 0.00 -1.55 -0.10 0.00 1.00 0.00 0.00 33.01 32.36 3dv6 s GLN 42 CO 0.00 0.10 1.00 -1.54 -2.12 0.00 0.00 175.29 172.72 3dv6 s SER 43 N -3.57 6.64 0.79 5.90 1.04 -1.26 -4.62 113.70 118.61 3dv6 s SER 43 Ca 0.32 1.81 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 3dv6 s SER 43 Cb 0.03 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.68 3dv6 s SER 43 CO 0.15 -0.57 1.21 -2.84 0.98 0.00 0.00 173.24 172.17 3dv6 s PRO 44 N -3.19 1.76 -0.05 4.02 0.02 -1.26 -4.60 135.00 131.69 3dv6 s PRO 44 Ca 0.65 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3dv6 s PRO 44 Cb -0.13 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.62 3dv6 s PRO 44 CO 0.17 -2.12 -0.06 0.21 -0.33 0.00 0.00 177.00 174.86 3dv6 s LYS 45 N -4.10 1.07 0.07 5.54 2.20 0.88 -4.95 119.74 120.45 3dv6 s LYS 45 Ca 0.73 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.86 3dv6 s LYS 45 Cb -0.29 -1.02 -0.07 0.00 -1.51 0.00 0.00 37.83 34.94 3dv6 s LYS 45 CO 0.49 -0.08 1.47 -1.17 -0.36 0.00 0.00 175.35 175.71 3dv6 s LEU 46 N 0.95 4.35 -0.23 5.43 2.96 -1.26 -0.21 118.68 130.66 3dv6 s LEU 46 Ca -0.10 2.32 -0.15 0.00 -0.22 0.00 0.00 54.13 55.97 3dv6 s LEU 46 Cb -0.14 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.88 3dv6 s LEU 46 CO 0.00 -0.75 -0.35 0.18 -1.32 0.00 0.00 176.35 174.11 3dv6 n LEU 47 N 4.84 1.93 -3.84 -0.68 4.32 0.21 -4.77 117.00 119.02 3dv6 n LEU 47 Ca 0.13 0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 56.33 3dv6 n LEU 47 Cb 0.42 -0.78 -0.14 0.00 -1.62 0.00 0.00 43.42 41.31 3dv6 n LEU 47 CO 0.60 0.22 -0.29 -0.63 -1.22 0.00 0.00 177.39 176.07 3dv6 s ILE 48 N -2.66 -0.01 0.38 -0.08 1.01 -1.07 -0.66 121.20 118.10 3dv6 s ILE 48 Ca -0.34 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.38 3dv6 s ILE 48 Cb 0.10 -0.11 -0.07 0.00 0.01 0.00 0.00 42.46 42.40 3dv6 s ILE 48 CO 0.46 0.01 0.03 -0.72 0.00 0.00 0.00 174.94 174.72 3dv6 s TYR 49 N 0.16 2.23 -1.66 3.97 1.13 0.42 -0.82 117.35 122.78 3dv6 s TYR 49 Ca -0.01 -0.83 -0.18 0.00 -1.41 0.00 0.00 57.07 54.64 3dv6 s TYR 49 Cb -0.02 -1.54 0.16 0.00 -1.10 0.00 0.00 41.96 39.46 3dv6 s TYR 49 CO -0.00 0.23 0.73 0.91 -2.51 0.00 0.00 175.55 174.91 3dv6 n TRP 50 N -0.86 -1.69 0.00 -3.49 8.01 -1.13 -1.07 117.44 117.21 3dv6 n TRP 50 Ca -0.05 0.74 0.00 0.00 -1.31 0.00 0.00 57.50 56.89 3dv6 n TRP 50 Cb 0.67 -2.78 0.00 0.00 -2.01 0.00 0.00 31.31 27.19 3dv6 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3dv6 n ALA 51 N -4.24 0.00 0.00 6.99 0.00 0.03 -4.07 120.51 119.22 3dv6 n ALA 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3dv6 n ALA 51 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3dv6 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dv6 n SER 52 N 1.71 0.31 -4.63 0.00 3.41 -1.15 -3.36 113.62 109.92 3dv6 n SER 52 Ca 0.00 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 57.94 3dv6 n SER 52 Cb 0.00 0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 3dv6 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dv6 s THR 53 N -0.60 4.39 0.34 6.66 2.01 -0.23 -4.37 115.64 123.84 3dv6 s THR 53 Ca 0.00 1.56 -0.28 0.00 0.31 0.00 0.00 61.69 63.28 3dv6 s THR 53 Cb 0.00 -4.43 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 3dv6 s THR 53 CO 0.00 -0.61 1.26 -0.13 -0.69 0.00 0.00 174.62 174.46 3dv6 s ARG 54 N 3.91 4.32 0.47 4.92 0.52 -1.26 -0.43 118.95 131.39 3dv6 s ARG 54 Ca 0.47 2.12 -0.21 0.00 -0.52 0.00 0.00 55.73 57.59 3dv6 s ARG 54 Cb -0.12 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 3dv6 s ARG 54 CO 0.20 -0.18 1.02 -2.00 0.02 0.00 0.00 175.30 174.36 3dv6 s GLU 55 N -1.85 3.93 0.14 3.54 2.56 0.16 -4.85 118.70 122.33 3dv6 s GLU 55 Ca 0.50 1.32 -0.34 0.00 0.00 0.00 0.00 54.97 56.45 3dv6 s GLU 55 Cb -0.38 -2.15 -0.17 0.00 2.00 0.00 0.00 34.13 33.44 3dv6 s GLU 55 CO 0.49 -0.31 1.14 0.43 -0.56 0.00 0.00 175.26 176.45 3dv6 n SER 56 N -0.81 1.04 0.00 -1.70 7.64 -1.26 -1.43 113.62 117.10 3dv6 n SER 56 Ca 0.08 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3dv6 n SER 56 Cb 0.53 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3dv6 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dv6 n GLY 57 N 2.04 2.53 3.71 0.23 0.00 -1.26 -5.02 105.19 107.42 3dv6 n GLY 57 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3dv6 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dv6 s VAL 58 N -2.19 4.57 0.60 1.61 1.01 -0.52 -5.00 120.40 120.49 3dv6 s VAL 58 Ca 0.00 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.68 3dv6 s VAL 58 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3dv6 s VAL 58 CO 0.00 0.17 1.20 -2.65 0.00 0.00 0.00 175.10 173.82 3dv6 n PRO 59 N 3.68 1.19 0.02 2.72 -0.02 -1.26 -4.88 135.00 136.45 3dv6 n PRO 59 Ca 0.06 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3dv6 n PRO 59 Cb 0.49 -2.41 0.28 0.00 -0.02 0.00 0.00 33.50 31.84 3dv6 n PRO 59 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dv6 n ASP 60 N -1.25 0.08 0.15 2.55 8.00 -1.26 -2.48 116.55 122.34 3dv6 n ASP 60 Ca 0.14 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.28 3dv6 n ASP 60 Cb 0.47 -0.54 0.52 0.00 -0.02 0.00 0.00 41.12 41.54 3dv6 n ASP 60 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3dv6 h ARG 61 N 0.00 0.00 -5.60 -1.24 0.11 -1.90 -3.40 114.38 102.35 3dv6 h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3dv6 h ARG 61 Cb 0.21 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.19 3dv6 h ARG 61 CO 0.00 0.00 -0.02 -0.06 0.10 0.00 0.00 179.97 179.99 3dv6 s PHE 62 N -3.36 3.40 -0.08 4.08 0.40 -1.04 -0.27 117.98 121.10 3dv6 s PHE 62 Ca 0.04 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.20 3dv6 s PHE 62 Cb 0.09 -2.68 0.02 0.00 0.51 0.00 0.00 43.02 40.96 3dv6 s PHE 62 CO 0.41 -0.07 -0.08 0.99 0.70 0.00 0.00 175.22 177.17 3dv6 s THR 63 N 1.53 0.94 0.02 0.64 2.01 -0.28 -4.94 115.64 115.56 3dv6 s THR 63 Ca 0.25 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 3dv6 s THR 63 Cb -0.15 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3dv6 s THR 63 CO 0.10 0.33 0.36 -0.83 -0.69 0.00 0.00 174.62 173.89 3dv6 s GLY 64 N 1.24 2.36 0.18 4.40 0.00 -1.26 -1.09 107.32 113.16 3dv6 s GLY 64 Ca -0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.17 3dv6 s GLY 64 CO -0.03 -0.10 0.41 -1.35 0.00 0.00 0.00 173.10 172.04 3dv6 s SER 65 N -1.42 -0.11 0.00 1.64 1.04 -0.68 -4.30 113.70 109.86 3dv6 s SER 65 Ca 0.27 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3dv6 s SER 65 Cb -0.15 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3dv6 s SER 65 CO 0.15 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3dv6 n GLY 66 N -0.28 -0.34 3.62 7.32 0.00 -1.26 -0.73 105.19 113.51 3dv6 n GLY 66 Ca -0.09 -2.28 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 3dv6 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dv6 s SER 67 N -0.01 -0.13 0.85 1.61 1.04 -0.58 -4.92 113.70 111.57 3dv6 s SER 67 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3dv6 s SER 67 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3dv6 s SER 67 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3dv6 n GLY 68 N -0.32 1.03 0.00 7.32 0.00 -1.26 -2.06 105.19 109.90 3dv6 n GLY 68 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3dv6 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dv6 n THR 69 N 0.00 0.00 -4.03 2.61 -2.24 -1.26 -0.03 114.28 109.33 3dv6 n THR 69 Ca 0.00 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 3dv6 n THR 69 Cb 0.00 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 3dv6 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dv6 s ASP 70 N -0.19 3.73 0.15 3.42 1.01 -0.87 -0.21 116.67 123.71 3dv6 s ASP 70 Ca 0.00 -1.04 0.06 0.00 0.71 0.00 0.00 52.55 52.28 3dv6 s ASP 70 Cb 0.00 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 3dv6 s ASP 70 CO 0.00 -0.15 -0.14 -0.36 0.21 0.00 0.00 175.17 174.73 3dv6 s PHE 71 N 1.29 1.48 -0.03 4.23 0.40 -0.14 -1.52 117.98 123.69 3dv6 s PHE 71 Ca -0.03 -0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.60 3dv6 s PHE 71 Cb -0.17 -0.74 0.02 0.00 0.51 0.00 0.00 43.02 42.63 3dv6 s PHE 71 CO -0.08 0.20 0.23 0.95 0.70 0.00 0.00 175.22 177.23 3dv6 s THR 72 N -2.59 0.05 -0.15 0.64 -4.23 0.09 -0.70 115.64 108.75 3dv6 s THR 72 Ca 0.14 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 3dv6 s THR 72 Cb -0.02 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.35 3dv6 s THR 72 CO 0.04 -0.23 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.47 3dv6 s LEU 73 N -0.92 2.19 -0.09 4.79 2.96 -0.59 -1.68 118.68 125.35 3dv6 s LEU 73 Ca -0.10 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 3dv6 s LEU 73 Cb -0.05 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3dv6 s LEU 73 CO 0.02 0.06 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.10 3dv6 s THR 74 N 0.91 3.19 -0.36 3.68 2.01 -0.25 -1.75 115.64 123.07 3dv6 s THR 74 Ca -0.04 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 3dv6 s THR 74 Cb -0.15 -2.30 0.10 0.00 0.01 0.00 0.00 72.50 70.15 3dv6 s THR 74 CO -0.04 0.56 0.11 -0.63 -0.69 0.00 0.00 174.62 173.93 3dv6 s ILE 75 N -0.27 2.86 -0.76 1.82 1.01 -0.10 -1.12 121.20 124.64 3dv6 s ILE 75 Ca 0.02 -2.03 -0.24 0.00 0.00 0.00 0.00 60.65 58.41 3dv6 s ILE 75 Cb -0.13 -2.94 0.06 0.00 0.01 0.00 0.00 42.46 39.46 3dv6 s ILE 75 CO 0.03 -0.54 1.15 0.20 0.00 0.00 0.00 174.94 175.78 3dv6 s ASN 76 N 1.40 6.25 0.00 3.58 -0.87 0.62 -2.25 114.94 123.68 3dv6 s ASN 76 Ca 0.06 -0.97 0.00 0.00 -1.57 0.00 0.00 52.86 50.39 3dv6 s ASN 76 Cb -0.21 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 3dv6 s ASN 76 CO -0.05 -1.55 0.00 0.61 -2.57 0.00 0.00 177.10 173.54 3dv6 n GLY 77 N 5.55 0.69 3.67 0.66 0.00 -1.14 -4.69 105.19 109.93 3dv6 n GLY 77 Ca 0.06 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 3dv6 n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dv6 n VAL 78 N -0.29 0.41 -4.02 1.61 0.31 -0.16 -4.56 118.33 111.63 3dv6 n VAL 78 Ca 0.00 -0.10 -0.22 0.00 -0.01 0.00 0.00 64.34 64.01 3dv6 n VAL 78 Cb 0.12 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 3dv6 n VAL 78 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3dv6 s GLN 79 N 0.34 2.85 0.34 5.55 -1.52 -1.26 0.17 119.66 126.13 3dv6 s GLN 79 Ca 0.74 -1.14 0.04 0.00 -1.95 0.00 0.00 55.36 53.06 3dv6 s GLN 79 Cb -0.66 -2.53 0.68 0.00 -0.22 0.00 0.00 33.01 30.28 3dv6 s GLN 79 CO 0.43 0.30 1.94 0.00 -0.25 0.00 0.00 175.29 177.70 3dv6 h ALA 80 N 1.42 1.65 -0.32 6.09 0.00 -1.99 -0.30 119.26 125.82 3dv6 h ALA 80 Ca -0.47 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3dv6 h ALA 80 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dv6 h ALA 80 CO 0.60 0.21 0.37 0.93 0.00 0.00 0.00 179.25 181.36 3dv6 h GLU 81 N 0.84 0.00 0.00 0.00 3.07 -2.01 -2.46 114.58 114.01 3dv6 h GLU 81 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3dv6 h GLU 81 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3dv6 h GLU 81 CO -0.13 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.23 3dv6 n ASP 82 N -3.67 0.00 -4.66 1.42 8.00 -0.12 -4.82 116.55 112.70 3dv6 n ASP 82 Ca 0.05 0.03 -0.44 0.00 0.71 0.00 0.00 54.79 55.15 3dv6 n ASP 82 Cb 0.52 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 3dv6 n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dv6 n LEU 83 N -1.34 3.88 0.00 0.64 0.00 -0.93 -4.87 117.00 114.38 3dv6 n LEU 83 Ca 0.12 0.84 0.00 0.00 0.00 0.00 0.00 56.01 56.97 3dv6 n LEU 83 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 42.18 3dv6 n LEU 83 CO 0.23 0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.66 3dv6 n ALA 84 N 7.79 0.00 -2.66 1.96 0.00 -1.06 -4.36 120.51 122.18 3dv6 n ALA 84 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 3dv6 n ALA 84 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 3dv6 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dv6 s VAL 85 N -2.00 5.20 -0.27 0.00 1.01 -0.79 -0.30 120.40 123.25 3dv6 s VAL 85 Ca 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3dv6 s VAL 85 Cb 0.00 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3dv6 s VAL 85 CO 0.00 0.46 0.05 -0.31 0.00 0.00 0.00 175.10 175.30 3dv6 s TYR 86 N -0.17 3.10 -0.14 5.22 2.02 0.87 -1.27 117.35 126.98 3dv6 s TYR 86 Ca 0.21 -0.87 -0.07 0.00 -0.37 0.00 0.00 57.07 55.97 3dv6 s TYR 86 Cb -0.15 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 3dv6 s TYR 86 CO 0.09 -0.53 0.11 0.71 -1.57 0.00 0.00 175.55 174.36 3dv6 s TYR 87 N 1.51 3.46 0.16 2.71 1.51 -0.38 -1.54 117.35 124.79 3dv6 s TYR 87 Ca 0.04 0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3dv6 s TYR 87 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 3dv6 s TYR 87 CO 0.01 0.55 0.35 0.00 -1.11 0.00 0.00 175.55 175.35 3dv6 s LYS 89 N -3.03 0.13 0.16 0.00 2.20 0.99 0.21 119.74 120.40 3dv6 s LYS 89 Ca 0.38 0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 56.24 3dv6 s LYS 89 Cb -0.12 -0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 35.97 3dv6 s LYS 89 CO 0.28 -0.20 0.82 1.14 -0.36 0.00 0.00 175.35 177.03 3dv6 s GLN 90 N 1.54 4.63 -0.09 4.03 1.03 0.15 -0.78 119.66 130.16 3dv6 s GLN 90 Ca -0.06 1.24 0.13 0.00 0.04 0.00 0.00 55.36 56.71 3dv6 s GLN 90 Cb -0.11 -3.29 0.24 0.00 0.03 0.00 0.00 33.01 29.88 3dv6 s GLN 90 CO -0.07 0.49 1.12 -1.13 -2.54 0.00 0.00 175.29 173.16 3dv6 n SER 91 N 1.85 1.46 -0.14 12.60 3.41 -0.12 -1.85 113.62 130.83 3dv6 n SER 91 Ca -0.04 -2.80 -0.10 0.00 -0.26 0.00 0.00 58.87 55.67 3dv6 n SER 91 Cb 0.49 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3dv6 n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3dv6 h TYR 92 N 0.24 0.78 -2.96 7.33 3.20 -1.90 -3.42 116.97 120.25 3dv6 h TYR 92 Ca -0.02 -0.13 -0.44 0.00 3.14 0.00 0.00 58.73 61.28 3dv6 h TYR 92 Cb 1.20 -0.21 -0.40 0.00 1.54 0.00 0.00 36.73 38.86 3dv6 h TYR 92 CO 0.16 0.78 -0.73 1.21 -1.64 0.00 0.00 178.16 177.94 3dv6 s ASN 93 N -6.20 2.20 0.85 -2.11 3.84 -1.26 -5.06 114.94 107.19 3dv6 s ASN 93 Ca -0.13 -0.56 0.00 0.00 0.21 0.00 0.00 52.86 52.38 3dv6 s ASN 93 Cb 0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.66 3dv6 s ASN 93 CO 0.79 -0.35 0.00 0.18 -2.79 0.00 0.00 177.10 174.94 3dv6 n LEU 94 N 5.29 0.00 -3.87 3.21 4.77 -1.26 -4.68 117.00 120.46 3dv6 n LEU 94 Ca -0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3dv6 n LEU 94 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 3dv6 n LEU 94 CO 0.10 0.00 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.73 3dv6 s ARG 95 N 0.00 0.13 -0.02 3.23 3.00 -1.26 -4.25 118.95 119.78 3dv6 s ARG 95 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 55.73 55.70 3dv6 s ARG 95 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 34.95 35.03 3dv6 s ARG 95 CO 0.00 -0.02 0.03 0.99 0.00 0.00 0.00 175.30 176.30 3dv6 s THR 96 N -0.23 -0.06 0.18 0.02 2.01 -0.77 -4.98 115.64 111.81 3dv6 s THR 96 Ca -0.03 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 3dv6 s THR 96 Cb -0.02 -0.10 -0.07 0.00 0.01 0.00 0.00 72.50 72.32 3dv6 s THR 96 CO 0.00 0.10 0.59 -0.36 -0.69 0.00 0.00 174.62 174.26 3dv6 s PHE 97 N 1.20 3.57 1.17 4.92 0.08 -1.26 -0.68 117.98 126.99 3dv6 s PHE 97 Ca -0.07 1.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.88 3dv6 s PHE 97 Cb -0.13 -2.40 0.29 0.00 -0.57 0.00 0.00 43.02 40.21 3dv6 s PHE 97 CO -0.03 0.37 1.09 0.41 -0.10 0.00 0.00 175.22 176.96 3dv6 n GLY 98 N 0.59 -2.64 0.16 4.36 0.00 0.13 -4.76 105.19 103.02 3dv6 n GLY 98 Ca -0.03 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3dv6 n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dv6 h GLY 99 N -2.57 0.00 0.00 -0.02 0.00 -1.89 -3.45 103.07 95.15 3dv6 h GLY 99 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3dv6 h GLY 99 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.42 3dv6 n GLY 100 N 0.90 2.32 3.17 4.60 0.00 -1.26 -5.01 105.19 109.90 3dv6 n GLY 100 Ca 0.04 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 3dv6 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dv6 s THR 101 N -1.35 2.46 -0.18 2.61 2.01 -0.59 -4.70 115.64 115.90 3dv6 s THR 101 Ca 0.00 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 3dv6 s THR 101 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3dv6 s THR 101 CO 0.00 0.40 0.76 -0.75 -0.69 0.00 0.00 174.62 174.34 3dv6 s LYS 102 N 1.31 4.26 -0.29 4.92 2.20 -0.44 -0.09 119.74 131.61 3dv6 s LYS 102 Ca 0.03 0.87 -0.08 0.00 -0.36 0.00 0.00 55.97 56.43 3dv6 s LYS 102 Cb -0.15 -3.58 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3dv6 s LYS 102 CO -0.09 -0.31 0.11 -1.17 -0.36 0.00 0.00 175.35 173.53 3dv6 s LEU 103 N 2.11 3.89 0.13 5.43 2.96 0.59 -0.64 118.68 133.16 3dv6 s LEU 103 Ca 0.35 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3dv6 s LEU 103 Cb -0.16 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3dv6 s LEU 103 CO 0.11 -0.17 0.17 -1.61 -1.32 0.00 0.00 176.35 173.53 3dv6 s GLU 104 N 1.56 3.08 -0.01 1.98 2.02 0.05 -2.57 118.70 124.82 3dv6 s GLU 104 Ca 0.04 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.35 3dv6 s GLU 104 Cb -0.17 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 3dv6 s GLU 104 CO 0.04 0.52 -0.16 -0.51 0.02 0.00 0.00 175.26 175.18 3dv6 s LEU 105 N -2.95 2.04 0.00 1.80 1.43 -1.26 -1.91 118.68 117.84 3dv6 s LEU 105 Ca 0.32 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3dv6 s LEU 105 Cb -0.11 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3dv6 s LEU 105 CO 0.25 0.18 0.36 2.29 0.23 0.00 0.00 176.35 179.65