#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqv n ARG 21 N 0.00 0.07 -3.86 1.97 5.12 -1.26 -5.01 116.66 113.69 3dqv n ARG 21 Ca 0.00 0.04 -0.29 0.00 -1.93 0.00 0.00 57.85 55.67 3dqv n ARG 21 Cb 0.00 -1.32 -0.16 0.00 -1.16 0.00 0.00 32.46 29.82 3dqv n ARG 21 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3dqv s PHE 22 N -2.00 1.92 -0.08 -1.55 0.40 -1.26 -5.13 117.98 110.29 3dqv s PHE 22 Ca 0.54 -1.48 0.05 0.00 -0.60 0.00 0.00 56.93 55.45 3dqv s PHE 22 Cb -0.33 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 3dqv s PHE 22 CO 0.69 -0.73 -0.23 -1.21 0.70 0.00 0.00 175.22 174.44 3dqv s GLU 23 N 1.55 2.76 0.29 0.44 2.02 -1.26 -5.10 118.70 119.40 3dqv s GLU 23 Ca -0.03 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.79 3dqv s GLU 23 Cb -0.18 -2.25 -0.12 0.00 0.10 0.00 0.00 34.13 31.67 3dqv s GLU 23 CO -0.08 0.33 1.52 0.28 0.02 0.00 0.00 175.26 177.33 3dqv n VAL 24 N 3.12 1.13 0.00 2.63 0.31 -1.26 -4.87 118.33 119.39 3dqv n VAL 24 Ca -0.18 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3dqv n VAL 24 Cb 0.52 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3dqv n VAL 24 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3dqv n LYS 25 N 1.90 1.73 -3.63 5.55 4.81 -1.26 -5.03 118.16 122.23 3dqv n LYS 25 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 3dqv n LYS 25 Cb 0.35 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.36 3dqv n LYS 25 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dqv s LYS 26 N -1.96 0.59 -0.09 1.64 2.20 -1.26 -5.17 119.74 115.69 3dqv s LYS 26 Ca 0.00 1.16 0.04 0.00 -0.36 0.00 0.00 55.97 56.81 3dqv s LYS 26 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 3dqv s LYS 26 CO 0.00 -0.15 -0.23 -0.46 -0.36 0.00 0.00 175.35 174.15 3dqv s TRP 27 N 1.98 2.44 -0.63 4.03 -0.11 -1.26 -5.07 118.94 120.32 3dqv s TRP 27 Ca -0.08 -0.98 -0.07 0.00 1.22 0.00 0.00 56.10 56.19 3dqv s TRP 27 Cb -0.07 -1.64 0.16 0.00 -1.50 0.00 0.00 33.47 30.43 3dqv s TRP 27 CO -0.19 -0.40 0.48 -0.80 -4.62 0.00 0.00 176.95 171.43 3dqv s ASN 28 N 0.35 5.68 0.28 5.86 0.01 -1.26 -5.07 114.94 120.79 3dqv s ASN 28 Ca -0.18 -2.57 -0.21 0.00 -0.71 0.00 0.00 52.86 49.19 3dqv s ASN 28 Cb -0.18 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.43 3dqv s ASN 28 CO 0.08 -0.49 0.81 0.00 -1.51 0.00 0.00 177.10 175.98 3dqv s ALA 29 N 0.36 3.32 -0.06 0.60 0.00 -1.26 -5.06 121.76 119.66 3dqv s ALA 29 Ca 0.14 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 3dqv s ALA 29 Cb -0.19 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 20.01 3dqv s ALA 29 CO -0.04 0.27 -0.02 0.08 0.00 0.00 0.00 175.76 176.05 3dqv s VAL 30 N -1.65 0.45 0.11 0.00 1.01 -1.26 -5.15 120.40 113.91 3dqv s VAL 30 Ca 0.48 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.50 3dqv s VAL 30 Cb -0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3dqv s VAL 30 CO 0.21 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 3dqv s ALA 31 N 1.43 1.27 -0.34 5.51 0.00 -1.26 -5.13 121.76 123.24 3dqv s ALA 31 Ca -0.03 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 3dqv s ALA 31 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3dqv s ALA 31 CO -0.03 0.00 0.20 -0.51 0.00 0.00 0.00 175.76 175.43 3dqv s LEU 32 N -2.51 4.47 0.08 0.00 1.43 -1.26 -5.06 118.68 115.82 3dqv s LEU 32 Ca 0.08 -0.65 -0.33 0.00 -1.03 0.00 0.00 54.13 52.20 3dqv s LEU 32 Cb -0.03 -2.06 -0.12 0.00 0.03 0.00 0.00 46.19 44.01 3dqv s LEU 32 CO 0.01 -0.28 1.79 1.87 0.23 0.00 0.00 176.35 179.98 3dqv n TRP 33 N 5.04 2.46 -3.73 0.29 -0.00 -1.26 -5.00 117.44 115.24 3dqv n TRP 33 Ca -0.13 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.50 57.22 3dqv n TRP 33 Cb 0.48 -2.67 -0.10 0.00 -0.00 0.00 0.00 31.31 29.02 3dqv n TRP 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3dqv s ALA 34 N 2.70 -0.97 -0.27 5.87 0.00 -1.26 -5.11 121.76 122.71 3dqv s ALA 34 Ca 0.84 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 53.68 3dqv s ALA 34 Cb -0.58 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3dqv s ALA 34 CO 0.41 -0.20 1.91 -1.58 0.00 0.00 0.00 175.76 176.31 3dqv s TRP 35 N 0.39 1.63 1.05 0.00 0.23 -1.26 -4.96 118.94 116.01 3dqv s TRP 35 Ca -0.01 0.56 -0.12 0.00 -2.03 0.00 0.00 56.10 54.49 3dqv s TRP 35 Cb -0.04 -4.06 0.22 0.00 0.03 0.00 0.00 33.47 29.62 3dqv s TRP 35 CO -0.01 -3.37 1.08 0.34 0.96 0.00 0.00 176.95 175.94 3dqv s ASP 36 N 6.50 1.95 -0.25 2.95 -1.08 -1.26 -4.98 116.67 120.49 3dqv s ASP 36 Ca 0.85 1.75 -0.16 0.00 -0.52 0.00 0.00 52.55 54.47 3dqv s ASP 36 Cb -0.26 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 3dqv s ASP 36 CO 0.34 -3.64 0.42 -0.63 0.52 0.00 0.00 175.17 172.19 3dqv s ILE 37 N -2.59 5.14 -0.17 4.11 1.01 -1.26 -5.06 121.20 122.38 3dqv s ILE 37 Ca 0.67 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.94 3dqv s ILE 37 Cb -0.23 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3dqv s ILE 37 CO 0.61 0.15 0.08 -0.69 0.00 0.00 0.00 174.94 175.10 3dqv s VAL 38 N 2.00 4.99 -0.19 2.92 1.01 -1.26 -5.02 120.40 124.85 3dqv s VAL 38 Ca 0.18 0.03 0.12 0.00 0.00 0.00 0.00 61.98 62.31 3dqv s VAL 38 Cb -0.16 -3.24 0.41 0.00 0.00 0.00 0.00 36.38 33.40 3dqv s VAL 38 CO 0.09 0.49 1.21 0.55 0.00 0.00 0.00 175.10 177.44 3dqv n VAL 39 N 3.21 2.09 -4.20 2.92 3.14 -1.26 -4.86 118.33 119.37 3dqv n VAL 39 Ca -0.17 -3.07 -0.25 0.00 -2.96 0.00 0.00 64.34 57.89 3dqv n VAL 39 Cb 0.53 -0.19 -0.08 0.00 -1.06 0.00 0.00 33.84 33.04 3dqv n VAL 39 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3dqv s ASP 40 N -3.15 4.37 0.16 6.55 -1.08 -1.26 -5.04 116.67 117.22 3dqv s ASP 40 Ca 0.37 -1.05 0.04 0.00 -0.52 0.00 0.00 52.55 51.39 3dqv s ASP 40 Cb 0.36 -0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 41.28 3dqv s ASP 40 CO -0.06 -0.46 0.19 0.20 0.52 0.00 0.00 175.17 175.56 3dqv s ASN 41 N -3.85 5.84 -0.51 -0.34 0.02 -1.26 -3.18 114.94 111.65 3dqv s ASN 41 Ca 0.39 -0.01 -0.27 0.00 -1.02 0.00 0.00 52.86 51.95 3dqv s ASN 41 Cb 0.03 -1.62 -0.04 0.00 0.02 0.00 0.00 41.25 39.64 3dqv s ASN 41 CO 0.22 0.06 2.06 0.00 0.02 0.00 0.00 177.10 179.46 3dqv n ALA 43 N 13.44 0.83 -0.12 0.00 0.00 -1.26 0.15 120.51 133.55 3dqv n ALA 43 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 3dqv n ALA 43 Cb 0.52 -0.72 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 3dqv n ALA 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dqv n ILE 44 N -1.20 1.53 0.60 0.00 5.41 -1.26 -4.63 119.36 119.81 3dqv n ILE 44 Ca 0.00 -0.17 0.06 0.00 1.00 0.00 0.00 62.75 63.64 3dqv n ILE 44 Cb 0.10 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.02 3dqv n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dqv n ARG 46 N -0.49 -5.97 -4.14 0.00 1.74 0.12 -4.84 116.66 103.08 3dqv n ARG 46 Ca 0.05 0.84 -0.11 0.00 -0.77 0.00 0.00 57.85 57.85 3dqv n ARG 46 Cb 0.26 -5.82 -0.10 0.00 -1.02 0.00 0.00 32.46 25.78 3dqv n ARG 46 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3dqv s ASN 47 N -4.24 1.07 0.00 0.55 -0.87 -1.26 -4.92 114.94 105.28 3dqv s ASN 47 Ca 0.06 -0.90 -0.34 0.00 -1.57 0.00 0.00 52.86 50.10 3dqv s ASN 47 Cb -0.01 0.08 -0.13 0.00 -0.02 0.00 0.00 41.25 41.18 3dqv s ASN 47 CO 0.74 -0.41 1.73 1.41 -2.57 0.00 0.00 177.10 178.00 3dqv n HIS 48 N 0.30 2.25 0.00 2.20 8.25 -1.26 -1.95 115.22 125.02 3dqv n HIS 48 Ca -0.15 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3dqv n HIS 48 Cb 0.59 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3dqv n HIS 48 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3dqv n ILE 49 N 4.34 0.00 0.00 1.59 5.41 -1.19 -4.50 119.36 125.01 3dqv n ILE 49 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.95 3dqv n ILE 49 Cb 0.28 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 3dqv n ILE 49 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3dqv n ASP 51 N 1.46 0.00 -4.90 4.38 8.00 -1.26 -4.80 116.55 119.43 3dqv n ASP 51 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 3dqv n ASP 51 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3dqv n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dqv s LEU 52 N 0.00 3.44 0.79 0.64 1.43 -1.26 -5.02 118.68 118.69 3dqv s LEU 52 Ca 0.00 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.11 3dqv s LEU 52 Cb 0.00 -4.02 0.15 0.00 0.03 0.00 0.00 46.19 42.34 3dqv s LEU 52 CO 0.00 -0.75 1.09 0.00 0.23 0.00 0.00 176.35 176.92 3dqv h ILE 54 N -0.85 0.84 0.00 0.00 2.04 -1.98 -1.54 117.51 116.02 3dqv h ILE 54 Ca -0.39 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3dqv h ILE 54 Cb 1.26 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3dqv h ILE 54 CO 0.40 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 178.03 3dqv n GLU 55 N -4.09 0.00 -0.20 2.37 -0.58 -1.26 -3.22 120.64 113.66 3dqv n GLU 55 Ca -0.03 0.07 0.30 0.00 -0.42 0.00 0.00 57.16 57.09 3dqv n GLU 55 Cb 0.18 -0.81 0.62 0.00 -0.57 0.00 0.00 31.44 30.86 3dqv n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dqv h GLN 57 N 0.00 -1.11 0.00 0.00 5.75 -1.36 -3.40 115.11 114.99 3dqv h GLN 57 Ca 0.47 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 59.05 3dqv h GLN 57 Cb 2.42 0.25 0.00 0.00 1.07 0.00 0.00 27.48 31.22 3dqv h GLN 57 CO -0.00 -0.73 -0.14 0.00 -2.65 0.00 0.00 178.83 175.30 3dqv h ALA 58 N -1.12 0.00 -0.63 3.38 0.00 -0.97 -3.47 119.26 116.44 3dqv h ALA 58 Ca -0.12 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 53.95 3dqv h ALA 58 Cb 0.89 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.84 3dqv h ALA 58 CO 0.19 0.14 0.27 0.09 0.00 0.00 0.00 179.25 179.94 3dqv n ASN 59 N -2.93 0.44 -3.12 0.00 4.13 -0.23 -4.87 115.26 108.68 3dqv n ASN 59 Ca -0.02 0.75 -0.08 0.00 1.68 0.00 0.00 54.58 56.91 3dqv n ASN 59 Cb 0.07 -0.57 0.08 0.00 -1.54 0.00 0.00 39.78 37.82 3dqv n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dqv n GLN 60 N 1.87 -1.76 -2.48 3.52 6.02 -1.26 -4.68 117.38 118.61 3dqv n GLN 60 Ca 0.17 -0.38 -0.28 0.00 -0.01 0.00 0.00 57.00 56.49 3dqv n GLN 60 Cb -0.00 -0.58 -0.00 0.00 1.02 0.00 0.00 30.24 30.68 3dqv n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dqv s ALA 61 N -2.03 3.32 0.00 -1.58 0.00 -1.26 -4.73 121.76 115.49 3dqv s ALA 61 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3dqv s ALA 61 Cb -0.03 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3dqv s ALA 61 CO 0.15 -0.40 0.00 -1.13 0.00 0.00 0.00 175.76 174.38 3dqv n SER 62 N -2.28 0.00 0.00 0.00 3.41 -1.26 -4.86 113.62 108.62 3dqv n SER 62 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 3dqv n SER 62 Cb 0.55 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 65.06 3dqv n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dqv n ALA 63 N 0.00 2.19 0.69 7.33 0.00 -1.26 -2.32 120.51 127.13 3dqv n ALA 63 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.44 3dqv n ALA 63 Cb 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 17.92 3dqv n ALA 63 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dqv n THR 64 N -1.47 0.00 -0.59 0.00 5.66 -1.26 -4.44 114.28 112.17 3dqv n THR 64 Ca 0.07 -0.14 -0.04 0.00 -3.05 0.00 0.00 64.05 60.88 3dqv n THR 64 Cb 0.29 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 69.78 3dqv n THR 64 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3dqv n SER 65 N -1.62 4.45 -4.77 1.09 3.41 -0.98 -4.87 113.62 110.33 3dqv n SER 65 Ca 0.02 -2.24 -0.31 0.00 -0.26 0.00 0.00 58.87 56.08 3dqv n SER 65 Cb 0.35 -1.05 0.10 0.00 -0.26 0.00 0.00 64.21 63.34 3dqv n SER 65 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3dqv s GLU 66 N 0.74 2.13 0.60 4.33 -1.05 -1.26 -4.79 118.70 119.40 3dqv s GLU 66 Ca 0.23 1.06 -0.18 0.00 -0.15 0.00 0.00 54.97 55.94 3dqv s GLU 66 Cb 0.11 -1.89 -0.13 0.00 -0.44 0.00 0.00 34.13 31.78 3dqv s GLU 66 CO 0.00 -1.70 -0.07 -0.85 0.95 0.00 0.00 175.26 173.59 3dqv n GLU 67 N -3.55 0.09 -3.95 -4.83 0.28 -1.26 -4.94 120.64 102.49 3dqv n GLU 67 Ca 0.08 0.04 -0.30 0.00 -0.16 0.00 0.00 57.16 56.82 3dqv n GLU 67 Cb 0.54 -1.17 -0.14 0.00 1.43 0.00 0.00 31.44 32.10 3dqv n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dqv s THR 69 N -0.25 2.48 0.23 0.00 2.01 -1.26 -4.91 115.64 113.93 3dqv s THR 69 Ca 0.17 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.43 3dqv s THR 69 Cb -0.26 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3dqv s THR 69 CO -0.00 0.00 0.34 0.68 -0.69 0.00 0.00 174.62 174.95 3dqv s VAL 70 N -2.76 5.21 0.09 3.82 -7.23 -1.26 -1.37 120.40 116.90 3dqv s VAL 70 Ca 0.60 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 59.87 3dqv s VAL 70 Cb -0.08 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 3dqv s VAL 70 CO 0.39 -0.30 -0.23 0.00 -0.31 0.00 0.00 175.10 174.65 3dqv s ALA 71 N -1.96 1.97 0.04 1.32 0.00 0.08 -4.81 121.76 118.40 3dqv s ALA 71 Ca 0.34 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3dqv s ALA 71 Cb -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3dqv s ALA 71 CO 0.29 0.43 -0.24 -1.58 0.00 0.00 0.00 175.76 174.66 3dqv s TRP 72 N -1.00 2.11 0.50 0.00 0.51 -1.26 -3.02 118.94 116.79 3dqv s TRP 72 Ca 0.09 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.69 3dqv s TRP 72 Cb -0.10 -1.27 -0.01 0.00 -0.81 0.00 0.00 33.47 31.28 3dqv s TRP 72 CO 0.04 0.10 0.03 0.20 -0.51 0.00 0.00 176.95 176.81 3dqv s GLY 73 N -1.18 2.99 0.00 0.98 0.00 -1.13 -2.43 107.32 106.55 3dqv s GLY 73 Ca 0.10 -0.43 0.25 0.00 0.00 0.00 0.00 44.72 44.64 3dqv s GLY 73 CO 0.02 -2.14 1.84 -0.62 0.00 0.00 0.00 173.10 172.20 3dqv n VAL 74 N -1.22 0.15 1.06 1.40 0.31 -0.26 -1.28 118.33 118.49 3dqv n VAL 74 Ca -0.18 0.04 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 3dqv n VAL 74 Cb 0.67 -0.64 0.09 0.00 -0.91 0.00 0.00 33.84 33.05 3dqv n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dqv n ASN 76 N -0.57 -0.14 -4.88 0.00 3.02 -0.41 -5.02 115.26 107.25 3dqv n ASN 76 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 3dqv n ASN 76 Cb 0.40 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3dqv n ASN 76 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dqv s HIS 77 N -3.35 3.33 -0.21 3.10 3.76 -1.26 -4.78 115.29 115.88 3dqv s HIS 77 Ca 0.00 1.04 -0.04 0.00 -0.15 0.00 0.00 55.06 55.91 3dqv s HIS 77 Cb 0.00 -3.04 0.11 0.00 1.11 0.00 0.00 32.58 30.76 3dqv s HIS 77 CO 0.00 -1.14 0.29 0.00 -0.85 0.00 0.00 174.74 173.04 3dqv s ALA 78 N -3.33 -0.66 0.54 -1.40 0.00 -1.26 -2.82 121.76 112.83 3dqv s ALA 78 Ca 0.58 0.63 0.06 0.00 0.00 0.00 0.00 51.96 53.23 3dqv s ALA 78 Cb -0.11 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.62 3dqv s ALA 78 CO 0.52 -1.15 0.45 -0.06 0.00 0.00 0.00 175.76 175.52 3dqv s PHE 79 N 2.43 1.66 0.00 0.00 0.40 -1.17 -4.72 117.98 116.59 3dqv s PHE 79 Ca 0.08 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 3dqv s PHE 79 Cb -0.15 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.41 3dqv s PHE 79 CO -0.13 -0.54 0.00 0.72 0.70 0.00 0.00 175.22 175.97 3dqv n HIS 80 N -1.81 -1.19 -0.10 0.36 8.25 -1.26 -0.74 115.22 118.74 3dqv n HIS 80 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 3dqv n HIS 80 Cb 0.64 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.67 3dqv n HIS 80 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqv n PHE 81 N -1.34 0.00 0.09 4.41 -0.00 -0.47 -3.49 117.46 116.65 3dqv n PHE 81 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 3dqv n PHE 81 Cb 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 39.48 38.76 3dqv n PHE 81 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3dqv h HIS 82 N -0.24 0.27 0.00 -5.13 -0.00 -1.94 -2.59 115.15 105.51 3dqv h HIS 82 Ca -0.45 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 3dqv h HIS 82 Cb 1.58 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.96 3dqv h HIS 82 CO -0.01 0.95 0.00 0.00 -0.00 0.00 0.00 177.93 178.87 3dqv n ILE 84 N -1.13 0.60 -0.06 0.00 5.41 -1.18 -4.42 119.36 118.59 3dqv n ILE 84 Ca 0.11 -0.27 -0.07 0.00 1.00 0.00 0.00 62.75 63.52 3dqv n ILE 84 Cb 0.10 -0.85 -0.01 0.00 -0.71 0.00 0.00 39.64 38.17 3dqv n ILE 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3dqv h SER 85 N 0.00 -0.49 0.00 4.38 0.02 -1.21 1.23 113.55 117.48 3dqv h SER 85 Ca -0.24 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3dqv h SER 85 Cb 1.42 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.22 3dqv h SER 85 CO -0.02 -0.18 0.00 0.54 -1.14 0.00 0.00 176.83 176.02 3dqv n ARG 86 N -5.31 0.43 -2.57 3.45 1.74 -0.88 -1.87 116.66 111.65 3dqv n ARG 86 Ca -0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3dqv n ARG 86 Cb 0.23 -1.08 0.03 0.00 -1.02 0.00 0.00 32.46 30.62 3dqv n ARG 86 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 3dqv n TRP 87 N -0.58 1.86 0.00 -1.55 -0.00 0.42 -4.71 117.44 112.88 3dqv n TRP 87 Ca 0.02 -2.51 0.00 0.00 -0.00 0.00 0.00 57.50 55.01 3dqv n TRP 87 Cb 0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.05 3dqv n TRP 87 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3dqv n LEU 88 N -0.44 0.00 0.00 5.87 4.77 -0.78 -4.64 117.00 121.78 3dqv n LEU 88 Ca 0.20 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.25 3dqv n LEU 88 Cb 0.82 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.32 3dqv n LEU 88 CO 0.23 0.00 0.63 0.29 -1.33 0.00 0.00 177.39 177.21 3dqv n LYS 89 N -0.22 0.45 0.00 3.23 5.02 -1.23 -4.61 118.16 120.80 3dqv n LYS 89 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3dqv n LYS 89 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3dqv n LYS 89 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dqv n THR 90 N -0.99 0.00 -1.53 -0.18 -1.04 -1.26 -5.06 114.28 104.22 3dqv n THR 90 Ca 0.11 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 3dqv n THR 90 Cb 0.05 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.50 3dqv n THR 90 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3dqv n ARG 91 N 0.00 0.93 -1.11 -2.82 1.74 -1.26 -4.83 116.66 109.31 3dqv n ARG 91 Ca 0.00 0.08 -0.22 0.00 -0.77 0.00 0.00 57.85 56.94 3dqv n ARG 91 Cb 0.00 -2.96 0.02 0.00 -1.02 0.00 0.00 32.46 28.50 3dqv n ARG 91 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3dqv n GLN 92 N 8.80 2.08 -4.05 5.56 6.02 -1.26 -4.29 117.38 130.24 3dqv n GLN 92 Ca 0.42 -2.00 -0.11 0.00 -0.01 0.00 0.00 57.00 55.31 3dqv n GLN 92 Cb 0.41 -1.84 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 3dqv n GLN 92 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3dqv s VAL 93 N -2.63 0.37 -0.30 5.09 -7.23 -1.26 -3.04 120.40 111.40 3dqv s VAL 93 Ca 0.42 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 3dqv s VAL 93 Cb 0.31 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.50 3dqv s VAL 93 CO -0.07 -0.56 1.53 0.00 -0.31 0.00 0.00 175.10 175.69 3dqv n PRO 95 N 7.82 1.07 0.00 0.00 -0.04 -1.26 -1.68 135.00 140.91 3dqv n PRO 95 Ca 0.18 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 3dqv n PRO 95 Cb 0.46 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 3dqv n PRO 95 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3dqv n LEU 96 N 14.69 0.00 -0.99 1.53 0.00 -1.26 -4.96 117.00 126.02 3dqv n LEU 96 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.49 3dqv n LEU 96 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 43.42 43.91 3dqv n LEU 96 CO 0.74 0.00 0.18 -0.90 0.00 0.00 0.00 177.39 177.41 3dqv n ASP 97 N 0.00 0.75 -2.67 1.96 5.75 -0.90 -5.05 116.55 116.40 3dqv n ASP 97 Ca 0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3dqv n ASP 97 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 3dqv n ASP 97 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3dqv n ASN 98 N 0.09 0.00 -3.78 -1.12 3.02 -0.68 -4.86 115.26 107.93 3dqv n ASN 98 Ca 0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.31 3dqv n ASN 98 Cb 0.92 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.93 3dqv n ASN 98 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dqv s ARG 99 N -3.30 0.89 0.00 3.52 3.52 -1.26 -4.87 118.95 117.45 3dqv s ARG 99 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 3dqv s ARG 99 Cb 0.00 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 3dqv s ARG 99 CO 0.00 -0.74 0.00 -0.85 -0.81 0.00 0.00 175.30 172.90 3dqv n GLU 100 N 4.90 0.00 -1.96 5.12 0.28 -1.26 -3.67 120.64 124.05 3dqv n GLU 100 Ca -0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.53 3dqv n GLU 100 Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 3dqv n GLU 100 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 3dqv s TRP 101 N 0.00 2.71 -0.25 -1.84 -0.00 -1.17 -4.66 118.94 113.73 3dqv s TRP 101 Ca 0.00 1.35 -0.09 0.00 -0.00 0.00 0.00 56.10 57.36 3dqv s TRP 101 Cb 0.00 -3.78 0.11 0.00 -0.00 0.00 0.00 33.47 29.80 3dqv s TRP 101 CO 0.00 -2.40 0.54 -1.21 -0.00 0.00 0.00 176.95 173.88 3dqv s GLU 102 N -2.26 0.47 0.88 5.86 0.41 -1.26 -5.02 118.70 117.79 3dqv s GLU 102 Ca 0.57 1.25 -0.15 0.00 -0.41 0.00 0.00 54.97 56.23 3dqv s GLU 102 Cb -0.41 0.59 0.21 0.00 -1.78 0.00 0.00 34.13 32.74 3dqv s GLU 102 CO 0.53 -0.22 1.14 1.19 -0.49 0.00 0.00 175.26 177.41 3dqv n PHE 103 N 5.36 -3.97 -3.32 1.61 3.01 -1.26 -1.11 117.46 117.77 3dqv n PHE 103 Ca -0.11 -1.01 -0.23 0.00 1.01 0.00 0.00 57.45 57.10 3dqv n PHE 103 Cb 0.50 -0.91 -0.09 0.00 -0.01 0.00 0.00 39.48 38.97 3dqv n PHE 103 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3dqv s GLN 104 N -5.51 0.83 0.00 -1.08 -0.21 -1.02 -4.49 119.66 108.18 3dqv s GLN 104 Ca 0.66 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 54.34 3dqv s GLN 104 Cb -0.02 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.85 3dqv s GLN 104 CO 0.47 -1.33 0.00 1.17 -2.12 0.00 0.00 175.29 173.48