#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s VAL 2 N 0.00 4.68 0.37 1.12 0.11 -1.26 0.14 120.40 125.55 2qbd s VAL 2 Ca 0.00 1.01 0.03 0.00 -2.93 0.00 0.00 61.98 60.09 2qbd s VAL 2 Cb 0.00 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2qbd s VAL 2 CO 0.00 -0.47 0.10 0.42 -3.33 0.00 0.00 175.10 171.82 2qbd s THR 3 N 3.24 0.80 -0.28 5.04 -4.23 -0.35 -2.38 115.64 117.47 2qbd s THR 3 Ca 0.34 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.84 2qbd s THR 3 Cb -0.13 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2qbd s THR 3 CO 0.17 0.00 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.59 2qbd s ILE 4 N -3.30 2.83 0.12 2.99 1.01 -1.07 -1.29 121.20 122.49 2qbd s ILE 4 Ca 0.29 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2qbd s ILE 4 Cb 0.05 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2qbd s ILE 4 CO 0.15 -0.01 0.06 -2.11 0.00 0.00 0.00 174.94 173.02 2qbd n ARG 5 N 4.61 0.63 -5.03 2.79 1.85 -0.89 -1.89 116.66 118.73 2qbd n ARG 5 Ca -0.14 -1.03 -0.31 0.00 -1.00 0.00 0.00 57.85 55.37 2qbd n ARG 5 Cb 0.44 0.64 -0.15 0.00 -1.05 0.00 0.00 32.46 32.34 2qbd n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qbd s LEU 6 N 0.00 2.21 -0.09 2.89 1.02 -1.26 0.04 118.68 123.49 2qbd s LEU 6 Ca 0.08 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.74 2qbd s LEU 6 Cb 0.00 -1.35 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 2qbd s LEU 6 CO 0.06 0.29 -0.14 0.00 0.02 0.00 0.00 176.35 176.57 2qbd s ALA 7 N -0.74 2.63 -0.36 4.21 0.00 -0.77 -4.79 121.76 121.94 2qbd s ALA 7 Ca 0.11 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2qbd s ALA 7 Cb -0.10 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2qbd s ALA 7 CO 0.01 0.41 1.36 0.50 0.00 0.00 0.00 175.76 178.04 2qbd s ARG 8 N -0.22 3.74 -0.02 0.00 3.52 -1.26 -0.48 118.95 124.22 2qbd s ARG 8 Ca 0.01 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.73 2qbd s ARG 8 Cb -0.13 -3.96 0.05 0.00 -1.56 0.00 0.00 34.95 29.36 2qbd s ARG 8 CO 0.03 -1.35 0.87 0.72 -0.81 0.00 0.00 175.30 174.76 2qbd n HIS 9 N 8.24 0.00 0.00 5.12 8.25 -1.18 -4.92 115.22 130.72 2qbd n HIS 9 Ca 0.16 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2qbd n HIS 9 Cb 0.47 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2qbd n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qbd n GLY 10 N -0.37 0.57 3.80 -1.41 0.00 -1.24 -4.66 105.19 101.87 2qbd n GLY 10 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2qbd n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbd s ALA 11 N -3.34 -1.84 -0.01 4.61 0.00 0.54 -4.79 121.76 116.94 2qbd s ALA 11 Ca 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 51.96 51.68 2qbd s ALA 11 Cb 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 23.12 23.65 2qbd s ALA 11 CO 0.00 -1.07 1.77 1.17 0.00 0.00 0.00 175.76 177.63 2qbd n LYS 12 N -0.60 2.12 -0.69 0.00 4.81 -1.26 -0.19 118.16 122.34 2qbd n LYS 12 Ca -0.04 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2qbd n LYS 12 Cb 0.60 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.07 2qbd n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qbd n LYS 13 N 5.47 -0.62 -3.19 1.64 5.02 -1.26 -4.80 118.16 120.42 2qbd n LYS 13 Ca 0.21 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.42 2qbd n LYS 13 Cb 0.28 -4.54 -0.07 0.00 -0.02 0.00 0.00 35.03 30.69 2qbd n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbd n ARG 14 N -1.09 0.62 -1.28 1.97 1.74 0.73 -5.14 116.66 114.21 2qbd n ARG 14 Ca 0.00 -3.10 -0.29 0.00 -0.77 0.00 0.00 57.85 53.69 2qbd n ARG 14 Cb 0.16 -1.31 0.18 0.00 -1.02 0.00 0.00 32.46 30.47 2qbd n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qbd s PRO 15 N -0.80 0.17 -0.47 5.56 0.04 -1.13 0.20 135.00 138.57 2qbd s PRO 15 Ca 0.34 0.25 0.04 0.00 0.04 0.00 0.00 61.00 61.68 2qbd s PRO 15 Cb 0.15 -1.73 0.22 0.00 0.04 0.00 0.00 34.50 33.18 2qbd s PRO 15 CO -0.13 -2.85 0.88 0.34 0.04 0.00 0.00 177.00 175.28 2qbd n PHE 16 N -4.21 -3.02 -1.53 0.56 -0.00 -1.26 -4.54 117.46 103.46 2qbd n PHE 16 Ca 0.08 -1.36 -0.37 0.00 -0.00 0.00 0.00 57.45 55.80 2qbd n PHE 16 Cb 0.58 1.44 0.07 0.00 -0.00 0.00 0.00 39.48 41.57 2qbd n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbd n TYR 17 N 2.31 0.74 -3.85 -5.13 4.02 -1.15 -3.10 117.16 111.00 2qbd n TYR 17 Ca 0.13 0.42 -0.29 0.00 -0.01 0.00 0.00 57.90 58.14 2qbd n TYR 17 Cb 0.61 -2.11 -0.16 0.00 -0.02 0.00 0.00 39.34 37.65 2qbd n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qbd s GLN 18 N -2.98 1.18 0.29 -0.72 2.00 0.37 -2.83 119.66 116.97 2qbd s GLN 18 Ca 0.76 -0.73 -0.30 0.00 -2.00 0.00 0.00 55.36 53.09 2qbd s GLN 18 Cb -0.39 -2.37 -0.11 0.00 0.80 0.00 0.00 33.01 30.95 2qbd s GLN 18 CO 0.48 -0.62 1.52 0.08 -0.50 0.00 0.00 175.29 176.25 2qbd s VAL 19 N 1.61 2.29 -0.24 1.34 1.01 -1.05 -1.85 120.40 123.50 2qbd s VAL 19 Ca -0.04 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 2qbd s VAL 19 Cb -0.18 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.13 2qbd s VAL 19 CO -0.07 0.04 0.83 0.54 0.00 0.00 0.00 175.10 176.44 2qbd s VAL 20 N -0.13 0.00 -0.17 2.92 0.11 0.11 -2.02 120.40 121.21 2qbd s VAL 20 Ca 0.61 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.43 2qbd s VAL 20 Cb -0.45 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2qbd s VAL 20 CO 0.48 0.00 0.70 -0.69 -3.33 0.00 0.00 175.10 172.26 2qbd s VAL 21 N 0.08 4.98 0.29 2.04 1.01 -0.18 -2.09 120.40 126.53 2qbd s VAL 21 Ca -0.00 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.18 2qbd s VAL 21 Cb -0.04 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2qbd s VAL 21 CO -0.00 0.11 0.60 0.00 0.00 0.00 0.00 175.10 175.81 2qbd s ALA 22 N 1.81 -0.57 -0.18 5.51 0.00 -0.41 -0.42 121.76 127.49 2qbd s ALA 22 Ca 0.33 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 2qbd s ALA 22 Cb -0.16 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2qbd s ALA 22 CO 0.12 -0.93 1.22 0.34 0.00 0.00 0.00 175.76 176.50 2qbd s ASP 23 N -3.01 6.97 0.26 0.00 -1.08 -1.26 -1.22 116.67 117.33 2qbd s ASP 23 Ca 0.18 1.61 -0.05 0.00 -0.52 0.00 0.00 52.55 53.76 2qbd s ASP 23 Cb -0.03 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.36 2qbd s ASP 23 CO 0.10 -0.75 1.41 -1.54 0.52 0.00 0.00 175.17 174.90 2qbd n SER 24 N 6.59 -0.28 -0.20 -0.34 3.41 0.36 -0.18 113.62 122.99 2qbd n SER 24 Ca 0.14 1.55 0.01 0.00 -0.26 0.00 0.00 58.87 60.30 2qbd n SER 24 Cb 0.45 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2qbd n SER 24 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qbd h ARG 25 N 0.00 0.20 -6.41 4.33 -0.00 -1.92 -3.43 114.38 107.16 2qbd h ARG 25 Ca 0.45 -0.01 -0.61 0.00 -0.50 0.00 0.00 59.98 59.32 2qbd h ARG 25 Cb 0.75 -0.04 0.13 0.00 0.00 0.00 0.00 29.97 30.80 2qbd h ARG 25 CO -0.91 0.13 -0.12 0.09 0.00 0.00 0.00 179.97 179.16 2qbd n ASN 26 N -5.18 0.26 -4.67 7.04 5.03 0.75 -4.90 115.26 113.59 2qbd n ASN 26 Ca 0.09 1.05 -0.33 0.00 0.87 0.00 0.00 54.58 56.25 2qbd n ASN 26 Cb 0.33 -1.20 0.13 0.00 -1.02 0.00 0.00 39.78 38.01 2qbd n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbd n ALA 27 N -0.33 -0.29 -1.00 5.41 0.00 -1.26 -4.88 120.51 118.15 2qbd n ALA 27 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2qbd n ALA 27 Cb 0.35 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2qbd n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbd n ARG 28 N -3.21 0.00 0.00 0.00 -4.01 -1.26 -1.32 116.66 106.85 2qbd n ARG 28 Ca 0.13 0.35 0.07 0.00 -1.04 0.00 0.00 57.85 57.36 2qbd n ARG 28 Cb 0.51 -0.91 0.42 0.00 -3.04 0.00 0.00 32.46 29.43 2qbd n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qbd n ASN 29 N -0.76 0.00 -3.31 2.89 3.02 -1.26 -4.78 115.26 111.07 2qbd n ASN 29 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2qbd n ASN 29 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2qbd n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qbd n GLY 30 N 0.21 -1.36 3.41 7.41 0.00 -0.44 -4.97 105.19 109.45 2qbd n GLY 30 Ca 0.11 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 2qbd n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbd n ARG 31 N 0.00 0.36 -3.59 1.61 0.63 -1.26 -4.89 116.66 109.51 2qbd n ARG 31 Ca 0.00 0.14 -0.16 0.00 -0.92 0.00 0.00 57.85 56.92 2qbd n ARG 31 Cb 0.00 -1.57 -0.07 0.00 0.45 0.00 0.00 32.46 31.27 2qbd n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2qbd s PHE 32 N -1.82 -0.64 0.00 -0.14 -0.71 -1.26 -4.74 117.98 108.67 2qbd s PHE 32 Ca 0.65 1.30 0.00 0.00 -1.04 0.00 0.00 56.93 57.84 2qbd s PHE 32 Cb -0.43 0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 2qbd s PHE 32 CO 0.58 -0.49 0.61 -0.89 -1.34 0.00 0.00 175.22 173.70 2qbd n ILE 33 N 1.66 0.00 -3.85 -4.49 5.41 0.44 -4.90 119.36 113.63 2qbd n ILE 33 Ca -0.17 1.08 -0.12 0.00 1.00 0.00 0.00 62.75 64.54 2qbd n ILE 33 Cb 0.56 -2.01 -0.14 0.00 -0.71 0.00 0.00 39.64 37.34 2qbd n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qbd s GLU 34 N -1.59 0.05 -0.12 0.38 -1.05 -0.95 -5.01 118.70 110.40 2qbd s GLU 34 Ca 0.00 0.07 -0.26 0.00 -0.15 0.00 0.00 54.97 54.63 2qbd s GLU 34 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.68 2qbd s GLU 34 CO 0.00 -0.01 0.84 0.50 0.95 0.00 0.00 175.26 177.53 2qbd s ARG 35 N 0.07 4.37 -0.23 -4.83 3.00 -1.26 -1.01 118.95 119.05 2qbd s ARG 35 Ca -0.00 1.07 -0.00 0.00 -1.00 0.00 0.00 55.73 55.79 2qbd s ARG 35 Cb -0.01 -3.53 0.06 0.00 0.00 0.00 0.00 34.95 31.47 2qbd s ARG 35 CO -0.00 -0.22 -0.03 0.54 0.00 0.00 0.00 175.30 175.60 2qbd s VAL 36 N 1.73 1.30 0.45 7.11 0.11 -0.86 -4.95 120.40 125.29 2qbd s VAL 36 Ca 0.41 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2qbd s VAL 36 Cb -0.17 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2qbd s VAL 36 CO 0.16 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2qbd n GLY 37 N 4.75 -2.91 3.34 6.54 0.00 -1.25 -4.33 105.19 111.33 2qbd n GLY 37 Ca -0.11 -1.15 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 2qbd n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbd s PHE 38 N -3.57 1.64 -0.21 1.61 -0.12 -1.23 -2.54 117.98 113.57 2qbd s PHE 38 Ca 0.00 -1.43 -0.10 0.00 -0.05 0.00 0.00 56.93 55.35 2qbd s PHE 38 Cb 0.00 -0.85 0.08 0.00 -0.63 0.00 0.00 43.02 41.61 2qbd s PHE 38 CO 0.00 -0.58 0.48 0.12 -0.05 0.00 0.00 175.22 175.20 2qbd s PHE 39 N -3.54 -0.79 -0.20 3.49 5.36 -1.13 -1.20 117.98 119.96 2qbd s PHE 39 Ca 0.35 1.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.87 2qbd s PHE 39 Cb 0.04 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 43.09 2qbd s PHE 39 CO 0.19 -0.44 -0.05 1.21 -1.46 0.00 0.00 175.22 174.68 2qbd s ASN 40 N 1.87 4.37 -0.06 6.13 2.47 -0.67 -2.91 114.94 126.14 2qbd s ASN 40 Ca -0.07 -0.34 0.01 0.00 0.42 0.00 0.00 52.86 52.88 2qbd s ASN 40 Cb -0.09 -1.74 0.12 0.00 -1.45 0.00 0.00 41.25 38.09 2qbd s ASN 40 CO -0.15 0.02 0.97 -0.81 -3.72 0.00 0.00 177.10 173.42 2qbd n PRO 41 N 4.50 1.37 0.00 0.43 -0.04 -1.26 -4.46 135.00 135.54 2qbd n PRO 41 Ca -0.18 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 2qbd n PRO 41 Cb 0.51 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2qbd n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qbd n ILE 42 N 0.18 0.00 -3.93 0.52 2.08 -1.26 -5.05 119.36 111.90 2qbd n ILE 42 Ca 0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.39 2qbd n ILE 42 Cb 0.58 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 2qbd n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qbd n ALA 43 N -1.79 0.00 0.00 -1.39 0.00 -1.26 -4.84 120.51 111.23 2qbd n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbd n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbd n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbd n SER 44 N -3.21 0.00 -2.88 0.00 3.41 -1.26 -4.87 113.62 104.80 2qbd n SER 44 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2qbd n SER 44 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2qbd n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qbd n GLU 45 N 0.00 -3.68 -2.64 4.33 0.00 -1.26 -4.85 120.64 112.55 2qbd n GLU 45 Ca 0.00 0.83 -0.43 0.00 0.00 0.00 0.00 57.16 57.56 2qbd n GLU 45 Cb 0.00 -5.60 -0.00 0.00 0.00 0.00 0.00 31.44 25.84 2qbd n GLU 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2qbd s LYS 46 N -5.54 4.00 0.78 5.31 -2.85 -1.26 -4.85 119.74 115.34 2qbd s LYS 46 Ca 0.22 -2.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 2qbd s LYS 46 Cb -0.10 -5.46 0.00 0.00 -2.06 0.00 0.00 37.83 30.21 2qbd s LYS 46 CO 0.27 -2.18 0.00 0.39 0.10 0.00 0.00 175.35 173.93 2qbd n GLU 47 N 7.95 0.00 0.00 1.78 -0.58 -1.26 -4.42 120.64 124.10 2qbd n GLU 47 Ca 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2qbd n GLU 47 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 2qbd n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2qbd n GLU 48 N 0.00 2.35 0.00 3.49 4.07 -1.26 -5.01 120.64 124.28 2qbd n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qbd n GLU 48 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2qbd n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbd n GLY 49 N 5.00 0.99 3.11 8.31 0.00 -1.26 -4.76 105.19 116.57 2qbd n GLY 49 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2qbd n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbd s THR 50 N 0.00 -0.93 0.30 2.61 2.01 -1.26 -1.68 115.64 116.69 2qbd s THR 50 Ca 0.00 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2qbd s THR 50 Cb 0.00 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.59 2qbd s THR 50 CO 0.00 -0.02 0.38 0.54 -0.69 0.00 0.00 174.62 174.83 2qbd n ARG 51 N 5.42 0.84 0.00 4.92 3.00 -0.34 -4.97 116.66 125.52 2qbd n ARG 51 Ca -0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 57.85 56.20 2qbd n ARG 51 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.89 2qbd n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbd n LEU 52 N 0.00 0.00 -3.41 0.55 7.94 -1.26 -3.55 117.00 117.27 2qbd n LEU 52 Ca 0.07 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.78 2qbd n LEU 52 Cb 0.31 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.30 2qbd n LEU 52 CO 0.20 0.00 0.04 -0.67 -1.11 0.00 0.00 177.39 175.85 2qbd n ASP 53 N -0.54 -6.28 -0.36 1.96 2.03 -1.26 -3.83 116.55 108.27 2qbd n ASP 53 Ca 0.00 -0.71 0.27 0.00 0.52 0.00 0.00 54.79 54.87 2qbd n ASP 53 Cb 0.00 -4.28 0.53 0.00 -0.72 0.00 0.00 41.12 36.65 2qbd n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qbd h LEU 54 N -1.00 0.42 -0.33 -2.67 3.38 -1.98 -2.03 115.31 111.10 2qbd h LEU 54 Ca -0.51 0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2qbd h LEU 54 Cb 1.27 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 2qbd h LEU 54 CO 0.42 -0.05 -0.37 -0.78 0.09 0.00 0.00 178.44 177.74 2qbd h ASP 55 N 0.29 -1.22 -0.30 -0.43 3.58 -2.01 -0.61 116.42 115.72 2qbd h ASP 55 Ca 0.70 0.19 -0.13 0.00 0.42 0.00 0.00 57.03 58.21 2qbd h ASP 55 Cb 1.85 0.54 -0.00 0.00 1.72 0.00 0.00 39.33 43.44 2qbd h ASP 55 CO -0.43 -0.36 -0.33 0.03 -2.88 0.00 0.00 179.24 175.27 2qbd h ARG 56 N -0.33 0.76 -0.50 0.28 2.47 -1.72 -3.07 114.38 112.27 2qbd h ARG 56 Ca 0.14 -0.41 0.10 0.00 -1.26 0.00 0.00 59.98 58.55 2qbd h ARG 56 Cb 0.57 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.81 2qbd h ARG 56 CO -0.51 1.04 -0.23 0.82 0.56 0.00 0.00 179.97 181.64 2qbd h ILE 57 N 0.52 0.32 0.16 2.04 1.08 -1.07 -2.12 117.51 118.44 2qbd h ILE 57 Ca 0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 2qbd h ILE 57 Cb 0.91 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2qbd h ILE 57 CO 0.08 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.35 2qbd h ALA 58 N 1.19 -0.36 -0.92 1.87 0.00 -1.15 -2.59 119.26 117.30 2qbd h ALA 58 Ca 0.23 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.24 2qbd h ALA 58 Cb 0.48 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 2qbd h ALA 58 CO -0.58 -0.73 -0.35 1.58 0.00 0.00 0.00 179.25 179.17 2qbd n HIS 59 N -5.32 0.04 -0.11 0.00 -0.00 -0.81 -0.73 115.22 108.29 2qbd n HIS 59 Ca -0.07 1.13 -0.12 0.00 -0.00 0.00 0.00 57.72 58.65 2qbd n HIS 59 Cb 0.23 -0.85 -0.03 0.00 -0.00 0.00 0.00 29.99 29.34 2qbd n HIS 59 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2qbd h TRP 60 N 0.00 0.86 -0.99 1.57 4.06 -1.43 -3.17 115.95 116.85 2qbd h TRP 60 Ca 0.33 -0.22 0.08 0.00 2.06 0.00 0.00 58.89 61.13 2qbd h TRP 60 Cb 0.55 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.45 2qbd h TRP 60 CO -0.80 0.96 0.64 0.28 -3.56 0.00 0.00 178.44 175.95 2qbd h VAL 61 N 0.51 1.05 0.00 1.49 2.07 -0.53 0.12 116.25 120.96 2qbd h VAL 61 Ca 0.07 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2qbd h VAL 61 Cb 0.75 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2qbd h VAL 61 CO 0.06 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.46 2qbd n GLY 62 N -1.37 -0.90 0.00 2.17 0.00 -0.17 -2.74 105.19 102.18 2qbd n GLY 62 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2qbd n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbd n GLN 63 N -0.68 0.37 0.00 1.61 6.02 0.32 -4.98 117.38 120.04 2qbd n GLN 63 Ca 0.08 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2qbd n GLN 63 Cb 0.04 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2qbd n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbd n GLY 64 N -0.17 1.41 3.54 1.08 0.00 -1.04 -5.08 105.19 104.93 2qbd n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2qbd n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbd n ALA 65 N 0.00 -0.77 -3.71 4.61 0.00 -0.59 -4.75 120.51 115.29 2qbd n ALA 65 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2qbd n ALA 65 Cb 0.00 -1.98 -0.15 0.00 0.00 0.00 0.00 19.45 17.32 2qbd n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qbd s THR 66 N -1.80 0.92 0.28 0.00 2.01 -1.00 -4.66 115.64 111.39 2qbd s THR 66 Ca 0.70 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 2qbd s THR 66 Cb -0.37 -1.69 -0.13 0.00 0.01 0.00 0.00 72.50 70.33 2qbd s THR 66 CO 0.53 -0.73 1.41 0.00 -0.69 0.00 0.00 174.62 175.14 2qbd n ILE 67 N 4.59 1.27 -1.88 1.82 0.13 -1.26 -2.61 119.36 121.42 2qbd n ILE 67 Ca 0.01 -0.32 -0.30 0.00 -1.10 0.00 0.00 62.75 61.04 2qbd n ILE 67 Cb 0.40 -1.59 0.16 0.00 -0.84 0.00 0.00 39.64 37.77 2qbd n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qbd s SER 68 N 0.15 3.49 0.04 9.51 1.04 -0.79 -4.83 113.70 122.31 2qbd s SER 68 Ca 0.64 0.47 -0.33 0.00 0.48 0.00 0.00 55.95 57.20 2qbd s SER 68 Cb -0.60 -0.68 -0.18 0.00 0.10 0.00 0.00 66.02 64.65 2qbd s SER 68 CO 0.53 -2.51 1.38 0.44 0.98 0.00 0.00 173.24 174.06 2qbd h ASP 69 N -1.49 -1.01 0.14 7.02 5.19 -1.93 -0.98 116.42 123.36 2qbd h ASP 69 Ca -0.45 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2qbd h ASP 69 Cb 1.27 0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.04 2qbd h ASP 69 CO 0.48 -0.66 -0.07 -0.09 -3.12 0.00 0.00 179.24 175.78 2qbd h ARG 70 N -1.31 -0.19 -0.83 3.56 9.65 -1.97 -2.28 114.38 121.02 2qbd h ARG 70 Ca -0.12 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.84 2qbd h ARG 70 Cb 0.91 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.47 2qbd h ARG 70 CO 0.20 -0.05 0.50 -0.24 2.80 0.00 0.00 179.97 183.18 2qbd h VAL 71 N -0.28 0.99 -0.41 0.20 3.04 -1.89 -1.70 116.25 116.20 2qbd h VAL 71 Ca -0.02 -0.30 0.05 0.00 -1.01 0.00 0.00 66.70 65.42 2qbd h VAL 71 Cb 0.22 0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 29.49 2qbd h VAL 71 CO 0.03 0.16 0.13 0.00 -1.01 0.00 0.00 177.57 176.88 2qbd h ALA 72 N 1.42 0.47 -0.84 3.17 0.00 -0.98 -1.31 119.26 121.19 2qbd h ALA 72 Ca 0.37 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.49 2qbd h ALA 72 Cb 0.24 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 2qbd h ALA 72 CO -0.20 -0.27 0.43 0.00 0.00 0.00 0.00 179.25 179.21 2qbd h ALA 73 N 1.28 1.26 -0.67 0.00 0.00 -0.73 -0.47 119.26 119.93 2qbd h ALA 73 Ca 0.19 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2qbd h ALA 73 Cb 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2qbd h ALA 73 CO -0.21 -0.10 0.32 -0.07 0.00 0.00 0.00 179.25 179.19 2qbd h LEU 74 N 0.61 0.41 -1.89 0.00 3.38 -0.91 -0.04 115.31 116.87 2qbd h LEU 74 Ca 0.46 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.51 2qbd h LEU 74 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2qbd h LEU 74 CO -0.36 0.24 0.13 0.40 0.09 0.00 0.00 178.44 178.94 2qbd h ILE 75 N 0.56 0.98 0.09 1.22 2.04 -0.85 -2.93 117.51 118.63 2qbd h ILE 75 Ca 0.33 -0.05 -0.22 0.00 1.00 0.00 0.00 64.86 65.91 2qbd h ILE 75 Cb 0.33 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2qbd h ILE 75 CO -0.26 0.03 -1.13 0.11 0.00 0.00 0.00 178.15 176.89 2qbd h LYS 76 N 0.14 0.19 -1.09 2.37 1.79 -1.00 -3.33 116.57 115.64 2qbd h LYS 76 Ca 0.08 -0.32 0.31 0.00 -2.18 0.00 0.00 60.65 58.53 2qbd h LYS 76 Cb 0.14 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 30.80 2qbd h LYS 76 CO -0.01 1.15 0.69 0.93 -1.08 0.00 0.00 179.45 181.13 2qbd h GLU 77 N -0.49 0.33 -4.61 3.15 5.08 -0.91 -3.20 114.58 113.93 2qbd h GLU 77 Ca -0.25 -0.02 -0.71 0.00 -1.00 0.00 0.00 59.36 57.38 2qbd h GLU 77 Cb 1.59 -0.07 -0.20 0.00 0.50 0.00 0.00 28.75 30.56 2qbd h GLU 77 CO 0.03 0.22 0.02 0.54 -1.00 0.00 0.00 179.01 178.81 2qbd s VAL 78 N -5.50 4.92 -0.67 3.13 0.11 -1.12 -4.93 120.40 116.34 2qbd s VAL 78 Ca -0.09 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.87 2qbd s VAL 78 Cb 0.27 -4.41 -0.21 0.00 -1.53 0.00 0.00 36.38 30.50 2qbd s VAL 78 CO 0.80 -0.99 1.53 -0.46 -3.33 0.00 0.00 175.10 172.64 2qbd n ASN 79 N 6.05 -0.73 -0.03 3.54 6.94 -1.21 -4.67 115.26 125.15 2qbd n ASN 79 Ca -0.10 -0.26 -0.13 0.00 -0.02 0.00 0.00 54.58 54.07 2qbd n ASN 79 Cb 0.43 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.34 2qbd n ASN 79 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qbd h LYS 80 N 7.54 0.13 -0.68 -3.83 3.64 -1.78 -3.21 116.57 118.38 2qbd h LYS 80 Ca 0.01 -0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2qbd h LYS 80 Cb 0.79 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.49 2qbd h LYS 80 CO 1.06 0.61 -0.02 0.00 -2.27 0.00 0.00 179.45 178.83 2qbd h ALA 81 N 0.52 0.65 -0.02 5.00 0.00 -1.90 -3.52 119.26 119.98 2qbd h ALA 81 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qbd h ALA 81 Cb 0.59 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2qbd h ALA 81 CO 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.86