#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8s s PRO 8 N 0.00 3.72 -0.01 0.00 0.05 -1.26 -4.76 135.00 132.73 3g8s s PRO 8 Ca 0.00 0.39 -0.17 0.00 0.05 0.00 0.00 61.00 61.27 3g8s s PRO 8 Cb 0.00 -2.40 0.03 0.00 0.05 0.00 0.00 34.50 32.18 3g8s s PRO 8 CO 0.00 -0.06 0.35 1.21 0.05 0.00 0.00 177.00 178.55 3g8s s ASN 9 N -3.37 -0.24 0.25 6.66 3.84 -1.26 -4.98 114.94 115.83 3g8s s ASN 9 Ca 0.50 0.13 -0.06 0.00 0.21 0.00 0.00 52.86 53.64 3g8s s ASN 9 Cb -0.10 0.34 0.26 0.00 -0.55 0.00 0.00 41.25 41.20 3g8s s ASN 9 CO 0.34 -0.49 1.86 0.45 -2.79 0.00 0.00 177.10 176.48 3g8s h HIS 10 N 3.68 1.18 -2.96 0.43 3.86 -1.93 -3.43 115.15 115.99 3g8s h HIS 10 Ca -0.30 -0.03 -0.62 0.00 -1.16 0.00 0.00 60.37 58.27 3g8s h HIS 10 Cb 1.18 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 29.22 3g8s h HIS 10 CO 0.50 0.82 -0.32 0.99 0.86 0.00 0.00 177.93 180.78 3g8s s THR 11 N -5.77 5.21 0.00 2.45 2.01 -1.26 -2.72 115.64 115.56 3g8s s THR 11 Ca -0.12 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3g8s s THR 11 Cb 0.17 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 3g8s s THR 11 CO 0.82 0.40 -0.16 0.27 -0.69 0.00 0.00 174.62 175.27 3g8s s ILE 12 N -1.26 2.93 -0.27 1.82 -4.36 -0.71 -1.71 121.20 117.65 3g8s s ILE 12 Ca 0.27 -0.97 -0.13 0.00 -0.26 0.00 0.00 60.65 59.56 3g8s s ILE 12 Cb -0.14 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 3g8s s ILE 12 CO 0.15 0.45 0.30 -0.47 0.24 0.00 0.00 174.94 175.61 3g8s s TYR 13 N -0.84 3.25 -0.16 1.37 5.04 -0.43 -2.30 117.35 123.28 3g8s s TYR 13 Ca 0.13 0.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.06 3g8s s TYR 13 Cb -0.11 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 39.70 3g8s s TYR 13 CO 0.03 -0.18 -0.09 0.42 -1.34 0.00 0.00 175.55 174.39 3g8s s ILE 14 N 1.87 3.29 0.15 3.14 1.01 0.40 -1.44 121.20 129.62 3g8s s ILE 14 Ca 0.12 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3g8s s ILE 14 Cb -0.16 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3g8s s ILE 14 CO 0.10 0.50 0.09 -0.46 0.00 0.00 0.00 174.94 175.16 3g8s n ASN 15 N 3.81 0.43 -0.94 3.58 6.94 0.03 -0.26 115.26 128.86 3g8s n ASN 15 Ca -0.18 -1.89 -0.12 0.00 -0.02 0.00 0.00 54.58 52.37 3g8s n ASN 15 Cb 0.52 0.54 -0.05 0.00 -2.36 0.00 0.00 39.78 38.43 3g8s n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g8s n ASN 16 N -2.13 -4.71 -4.79 0.53 5.15 -1.14 -1.56 115.26 106.60 3g8s n ASN 16 Ca 0.00 0.30 -0.32 0.00 -0.60 0.00 0.00 54.58 53.96 3g8s n ASN 16 Cb 0.25 -3.29 0.04 0.00 -0.53 0.00 0.00 39.78 36.25 3g8s n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g8s s LEU 17 N -2.78 3.33 -0.14 1.20 1.43 -1.12 -4.65 118.68 115.95 3g8s s LEU 17 Ca 0.00 1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 54.63 3g8s s LEU 17 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 3g8s s LEU 17 CO 0.00 -1.46 1.31 0.21 0.23 0.00 0.00 176.35 176.64 3g8s s ASN 18 N -3.01 6.92 0.45 2.29 3.84 -1.26 -4.57 114.94 119.59 3g8s s ASN 18 Ca 0.63 1.78 0.28 0.00 0.21 0.00 0.00 52.86 55.76 3g8s s ASN 18 Cb -0.17 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.84 3g8s s ASN 18 CO 0.44 -0.77 1.78 -0.33 -2.79 0.00 0.00 177.10 175.44 3g8s h GLU 19 N 8.30 0.00 0.00 0.43 5.08 -1.95 -3.22 114.58 123.22 3g8s h GLU 19 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3g8s h GLU 19 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3g8s h GLU 19 CO 0.96 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 179.84 3g8s h LYS 20 N 0.00 0.00 -5.70 2.33 6.56 -2.00 -3.44 116.57 114.33 3g8s h LYS 20 Ca 0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 3g8s h LYS 20 Cb 0.73 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.30 3g8s h LYS 20 CO 0.00 0.00 0.07 0.42 -2.06 0.00 0.00 179.45 177.88 3g8s s ILE 21 N -3.43 5.05 0.78 1.86 1.09 -1.22 -5.04 121.20 120.29 3g8s s ILE 21 Ca 0.03 1.16 -0.13 0.00 -1.10 0.00 0.00 60.65 60.62 3g8s s ILE 21 Cb 0.09 -3.93 0.07 0.00 -1.06 0.00 0.00 42.46 37.63 3g8s s ILE 21 CO 0.45 0.16 1.15 -1.59 -0.10 0.00 0.00 174.94 175.01 3g8s s LYS 22 N 1.61 1.93 0.19 2.79 -2.85 -1.26 -4.73 119.74 117.41 3g8s s LYS 22 Ca 0.29 1.54 -0.22 0.00 -1.00 0.00 0.00 55.97 56.58 3g8s s LYS 22 Cb -0.16 -1.83 0.11 0.00 -2.06 0.00 0.00 37.83 33.89 3g8s s LYS 22 CO 0.11 -1.95 1.57 -0.22 0.10 0.00 0.00 175.35 174.97 3g8s h LYS 23 N -0.86 -0.14 0.02 1.78 3.11 -1.95 -2.08 116.57 116.45 3g8s h LYS 23 Ca -0.45 0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.16 3g8s h LYS 23 Cb 1.27 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.50 3g8s h LYS 23 CO 0.48 -0.10 -1.16 0.22 -2.81 0.00 0.00 179.45 176.09 3g8s h ASP 24 N -0.15 0.08 -0.16 4.20 -0.00 -1.95 -2.13 116.42 116.31 3g8s h ASP 24 Ca 0.23 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3g8s h ASP 24 Cb 0.56 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 3g8s h ASP 24 CO -0.74 1.07 0.08 -0.08 -0.00 0.00 0.00 179.24 179.57 3g8s h GLU 25 N 0.01 0.23 -0.50 0.28 4.81 -1.88 -0.93 114.58 116.59 3g8s h GLU 25 Ca -0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 3g8s h GLU 25 Cb 1.84 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.16 3g8s h GLU 25 CO 0.13 0.25 0.14 1.25 -0.73 0.00 0.00 179.01 180.05 3g8s h LEU 26 N 0.15 0.70 -0.05 1.64 5.85 -1.42 -0.79 115.31 121.38 3g8s h LEU 26 Ca 0.06 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3g8s h LEU 26 Cb 0.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3g8s h LEU 26 CO -0.01 0.68 0.01 0.50 -0.34 0.00 0.00 178.44 179.28 3g8s h LYS 27 N 0.74 0.08 0.00 1.25 3.64 -1.14 -2.73 116.57 118.41 3g8s h LYS 27 Ca 0.17 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3g8s h LYS 27 Cb 0.24 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3g8s h LYS 27 CO -0.01 0.30 -0.44 0.87 -2.27 0.00 0.00 179.45 177.90 3g8s h LYS 28 N -0.15 0.00 -0.11 1.90 1.57 -1.03 -2.83 116.57 115.92 3g8s h LYS 28 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3g8s h LYS 28 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3g8s h LYS 28 CO 0.00 0.44 -0.12 0.77 -0.57 0.00 0.00 179.45 179.96 3g8s h SER 29 N 0.00 0.30 -0.68 0.86 0.02 -1.12 -2.86 113.55 110.06 3g8s h SER 29 Ca -0.00 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3g8s h SER 29 Cb 1.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3g8s h SER 29 CO 0.06 0.73 0.37 -0.07 -1.14 0.00 0.00 176.83 176.78 3g8s h LEU 30 N -0.13 0.88 -2.17 5.07 3.38 -1.50 -1.90 115.31 118.95 3g8s h LEU 30 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3g8s h LEU 30 Cb 0.65 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3g8s h LEU 30 CO 0.03 0.72 -0.07 -0.74 0.09 0.00 0.00 178.44 178.48 3g8s h HIS 31 N 0.98 0.00 0.00 1.13 2.76 -1.46 -1.30 115.15 117.26 3g8s h HIS 31 Ca 0.25 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3g8s h HIS 31 Cb 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3g8s h HIS 31 CO 0.01 0.07 -0.37 0.00 -1.30 0.00 0.00 177.93 176.34 3g8s h ALA 32 N 1.93 0.93 0.00 5.26 0.00 -1.10 -3.09 119.26 123.20 3g8s h ALA 32 Ca -0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 3g8s h ALA 32 Cb 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3g8s h ALA 32 CO 0.01 0.46 -2.29 -0.89 0.00 0.00 0.00 179.25 176.54 3g8s n ILE 33 N -3.44 1.29 1.46 0.00 5.41 -0.93 -4.48 119.36 118.66 3g8s n ILE 33 Ca 0.00 -0.45 0.13 0.00 1.00 0.00 0.00 62.75 63.43 3g8s n ILE 33 Cb 0.54 -1.42 0.72 0.00 -0.71 0.00 0.00 39.64 38.77 3g8s n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g8s n PHE 34 N -3.37 0.00 0.25 1.39 3.72 -0.53 -3.43 117.46 115.48 3g8s n PHE 34 Ca -0.41 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.13 3g8s n PHE 34 Cb 0.90 -0.12 0.60 0.00 -0.94 0.00 0.00 39.48 39.92 3g8s n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g8s h SER 35 N 0.00 0.00 0.53 4.37 4.64 -1.76 -3.17 113.55 118.15 3g8s h SER 35 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3g8s h SER 35 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3g8s h SER 35 CO 0.00 0.10 -1.02 0.08 -0.87 0.00 0.00 176.83 175.12 3g8s h ARG 36 N 0.00 0.29 -0.33 4.77 0.11 -1.87 -3.34 114.38 114.01 3g8s h ARG 36 Ca -0.00 -0.37 -0.12 0.00 0.10 0.00 0.00 59.98 59.59 3g8s h ARG 36 Cb 0.59 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 3g8s h ARG 36 CO 0.01 1.09 -0.29 0.74 0.10 0.00 0.00 179.97 181.63 3g8s h PHE 37 N 0.14 0.80 0.00 4.08 0.04 -1.79 -3.48 116.94 116.73 3g8s h PHE 37 Ca -0.08 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.49 3g8s h PHE 37 Cb 1.69 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.65 3g8s h PHE 37 CO 0.05 0.91 0.00 0.41 -0.60 0.00 0.00 178.31 179.08 3g8s n GLY 38 N -0.16 2.54 3.73 -1.45 0.00 -1.25 -4.56 105.19 104.05 3g8s n GLY 38 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3g8s n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g8s s GLN 39 N -2.00 4.12 -0.18 1.61 -2.07 -1.26 -4.62 119.66 115.26 3g8s s GLN 39 Ca 0.00 2.61 -0.17 0.00 -1.82 0.00 0.00 55.36 55.98 3g8s s GLN 39 Cb 0.00 -3.05 -0.04 0.00 -1.09 0.00 0.00 33.01 28.83 3g8s s GLN 39 CO 0.00 -0.72 0.45 0.42 -1.32 0.00 0.00 175.29 174.12 3g8s s ILE 40 N 0.77 5.17 -0.03 3.63 1.01 -1.26 -3.29 121.20 127.20 3g8s s ILE 40 Ca 0.71 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.96 3g8s s ILE 40 Cb -0.49 -3.78 -0.26 0.00 0.01 0.00 0.00 42.46 37.94 3g8s s ILE 40 CO 0.38 0.25 1.00 -0.07 0.00 0.00 0.00 174.94 176.50 3g8s h LEU 41 N 7.53 0.45 -7.00 2.97 3.38 -0.15 -3.49 115.31 119.00 3g8s h LEU 41 Ca -0.36 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 56.78 3g8s h LEU 41 Cb 1.16 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 3g8s h LEU 41 CO 0.73 1.24 0.30 -0.62 0.09 0.00 0.00 178.44 180.18 3g8s s ASP 42 N -6.75 -0.52 -0.18 -0.43 -1.08 -1.21 -5.02 116.67 101.48 3g8s s ASP 42 Ca -0.14 0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 3g8s s ASP 42 Cb 0.02 0.52 0.04 0.00 -1.46 0.00 0.00 42.92 42.04 3g8s s ASP 42 CO 0.81 -0.79 -0.09 -0.63 0.52 0.00 0.00 175.17 175.00 3g8s s ILE 43 N -3.00 1.44 -0.41 4.11 1.01 -1.26 -0.87 121.20 122.21 3g8s s ILE 43 Ca -0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 3g8s s ILE 43 Cb -0.01 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3g8s s ILE 43 CO -0.07 0.18 0.39 -0.76 0.00 0.00 0.00 174.94 174.68 3g8s s LEU 44 N 1.49 4.91 -0.11 2.97 1.02 -1.06 -4.92 118.68 122.98 3g8s s LEU 44 Ca 0.00 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.45 3g8s s LEU 44 Cb -0.15 -2.31 0.02 0.00 0.02 0.00 0.00 46.19 43.76 3g8s s LEU 44 CO -0.08 -0.52 -0.15 -0.69 0.02 0.00 0.00 176.35 174.93 3g8s s VAL 45 N 1.98 1.49 0.48 -1.59 1.01 -1.26 -2.53 120.40 119.97 3g8s s VAL 45 Ca 0.10 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3g8s s VAL 45 Cb -0.18 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3g8s s VAL 45 CO 0.12 0.44 0.11 -0.55 0.00 0.00 0.00 175.10 175.22 3g8s s SER 46 N 1.09 4.23 0.00 3.32 0.15 -1.26 -4.99 113.70 116.25 3g8s s SER 46 Ca -0.04 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.19 3g8s s SER 46 Cb -0.14 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 3g8s s SER 46 CO -0.03 -0.77 0.62 -1.14 1.20 0.00 0.00 173.24 173.12 3g8s n ARG 47 N -1.30 0.99 -0.75 5.44 3.00 -1.26 -4.24 116.66 118.53 3g8s n ARG 47 Ca -0.10 -0.81 -0.30 0.00 -0.00 0.00 0.00 57.85 56.64 3g8s n ARG 47 Cb 0.66 -0.75 0.18 0.00 0.00 0.00 0.00 32.46 32.55 3g8s n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g8s s SER 48 N -0.37 2.61 0.37 6.15 1.04 -1.26 -4.42 113.70 117.82 3g8s s SER 48 Ca 0.00 1.93 0.16 0.00 0.48 0.00 0.00 55.95 58.52 3g8s s SER 48 Cb 0.00 -2.46 1.04 0.00 0.10 0.00 0.00 66.02 64.70 3g8s s SER 48 CO 0.00 -3.25 1.75 0.25 0.98 0.00 0.00 173.24 172.97 3g8s h LEU 49 N -1.97 0.52 0.00 2.42 5.85 -1.98 0.58 115.31 120.72 3g8s h LEU 49 Ca -0.48 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3g8s h LEU 49 Cb 1.28 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3g8s h LEU 49 CO 0.46 0.08 -1.45 0.29 -0.34 0.00 0.00 178.44 177.47 3g8s n LYS 50 N -4.72 0.57 -0.08 1.25 4.01 -1.26 -4.44 118.16 113.50 3g8s n LYS 50 Ca 0.26 -0.04 0.03 0.00 -0.51 0.00 0.00 58.31 58.05 3g8s n LYS 50 Cb 0.86 -1.65 0.07 0.00 -0.51 0.00 0.00 35.03 33.80 3g8s n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3g8s n MET 51 N -2.37 2.56 -2.87 1.97 2.81 -0.55 -5.02 117.12 113.64 3g8s n MET 51 Ca -0.01 -1.67 -0.35 0.00 -1.81 0.00 0.00 57.70 53.86 3g8s n MET 51 Cb 0.54 -1.13 -0.07 0.00 -0.71 0.00 0.00 33.22 31.85 3g8s n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g8s s ARG 52 N -0.94 4.34 -1.18 0.03 1.70 0.09 -3.70 118.95 119.29 3g8s s ARG 52 Ca 0.11 1.12 -0.01 0.00 -0.47 0.00 0.00 55.73 56.48 3g8s s ARG 52 Cb 0.06 -2.51 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 3g8s s ARG 52 CO 0.08 0.15 0.11 0.41 -1.08 0.00 0.00 175.30 174.97 3g8s n GLY 53 N -0.02 -0.20 2.98 3.88 0.00 -1.26 -4.96 105.19 105.61 3g8s n GLY 53 Ca 0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 3g8s n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g8s s GLN 54 N -4.88 0.32 -0.01 1.61 -0.21 -1.24 -2.79 119.66 112.46 3g8s s GLN 54 Ca 0.06 -0.63 -0.12 0.00 0.02 0.00 0.00 55.36 54.69 3g8s s GLN 54 Cb -0.02 0.10 0.02 0.00 1.00 0.00 0.00 33.01 34.10 3g8s s GLN 54 CO 0.07 -0.05 0.25 0.00 -2.12 0.00 0.00 175.29 173.43 3g8s s ALA 55 N -1.51 -0.61 -0.47 6.09 0.00 0.65 -4.48 121.76 121.41 3g8s s ALA 55 Ca -0.15 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3g8s s ALA 55 Cb -0.10 0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.21 3g8s s ALA 55 CO -0.01 -0.23 0.23 -0.06 0.00 0.00 0.00 175.76 175.68 3g8s s PHE 56 N -1.26 2.82 -0.52 0.00 0.40 -1.05 -0.46 117.98 117.91 3g8s s PHE 56 Ca -0.13 -2.89 -0.29 0.00 -0.60 0.00 0.00 56.93 53.02 3g8s s PHE 56 Cb -0.06 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.99 3g8s s PHE 56 CO 0.03 -0.78 1.18 0.08 0.70 0.00 0.00 175.22 176.43 3g8s s VAL 57 N 0.07 4.10 -0.48 -0.44 1.01 -0.97 -2.57 120.40 121.11 3g8s s VAL 57 Ca 0.16 1.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.98 3g8s s VAL 57 Cb -0.25 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.52 3g8s s VAL 57 CO -0.01 -1.15 0.78 -0.63 0.00 0.00 0.00 175.10 174.09 3g8s s ILE 58 N 4.76 4.64 0.81 2.22 1.01 -0.05 -1.73 121.20 132.86 3g8s s ILE 58 Ca 0.46 0.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 3g8s s ILE 58 Cb -0.07 -4.35 0.15 0.00 0.01 0.00 0.00 42.46 38.19 3g8s s ILE 58 CO 0.29 -0.80 1.12 -0.36 0.00 0.00 0.00 174.94 175.19 3g8s s PHE 59 N 3.30 1.75 -0.22 3.97 0.08 -1.10 0.57 117.98 126.32 3g8s s PHE 59 Ca 0.27 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.41 3g8s s PHE 59 Cb -0.13 -3.45 -0.20 0.00 -0.57 0.00 0.00 43.02 38.66 3g8s s PHE 59 CO 0.20 -2.04 -0.05 1.17 -0.10 0.00 0.00 175.22 174.40 3g8s n LYS 60 N -3.20 0.67 -5.15 0.44 4.81 -1.21 -4.67 118.16 109.85 3g8s n LYS 60 Ca 0.14 0.13 -0.32 0.00 -0.87 0.00 0.00 58.31 57.40 3g8s n LYS 60 Cb 0.60 -1.55 -0.16 0.00 0.02 0.00 0.00 35.03 33.94 3g8s n LYS 60 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3g8s s GLU 61 N -2.52 2.74 0.52 1.64 0.41 -1.26 -5.01 118.70 115.22 3g8s s GLU 61 Ca -0.26 -0.85 0.23 0.00 -0.41 0.00 0.00 54.97 53.68 3g8s s GLU 61 Cb 0.08 -2.27 1.41 0.00 -1.78 0.00 0.00 34.13 31.56 3g8s s GLU 61 CO 0.68 0.35 2.11 0.28 -0.49 0.00 0.00 175.26 178.20 3g8s h VAL 62 N 5.13 0.77 -0.88 2.63 2.07 -1.87 -1.23 116.25 122.87 3g8s h VAL 62 Ca -0.30 -0.35 0.21 0.00 0.82 0.00 0.00 66.70 67.08 3g8s h VAL 62 Cb 1.19 1.21 -0.12 0.00 -1.52 0.00 0.00 31.29 32.04 3g8s h VAL 62 CO 0.49 0.09 0.38 -1.28 0.02 0.00 0.00 177.57 177.26 3g8s h SER 63 N 0.00 0.32 -0.03 0.57 0.87 -1.95 0.79 113.55 114.12 3g8s h SER 63 Ca -0.00 0.15 -0.22 0.00 -1.23 0.00 0.00 61.79 60.49 3g8s h SER 63 Cb 0.20 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3g8s h SER 63 CO 0.01 0.01 -0.82 0.28 -0.53 0.00 0.00 176.83 175.78 3g8s h SER 64 N 0.40 0.84 -0.57 6.23 0.02 -1.47 -3.17 113.55 115.83 3g8s h SER 64 Ca 0.55 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3g8s h SER 64 Cb 1.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3g8s h SER 64 CO -0.52 1.37 0.22 0.00 -1.14 0.00 0.00 176.83 176.76 3g8s h ALA 65 N 0.61 1.25 -0.20 3.77 0.00 -0.94 -0.78 119.26 122.97 3g8s h ALA 65 Ca -0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3g8s h ALA 65 Cb 1.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3g8s h ALA 65 CO 0.16 0.55 -0.09 1.15 0.00 0.00 0.00 179.25 181.02 3g8s h THR 66 N 0.88 1.31 -0.59 0.00 2.02 -1.00 -1.88 112.91 113.64 3g8s h THR 66 Ca 0.20 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3g8s h THR 66 Cb 0.20 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3g8s h THR 66 CO -0.01 0.35 0.33 0.78 0.37 0.00 0.00 175.52 177.33 3g8s h ASN 67 N 0.11 0.72 -0.69 4.18 2.35 -1.48 0.20 115.58 120.97 3g8s h ASN 67 Ca 0.04 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3g8s h ASN 67 Cb 0.58 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3g8s h ASN 67 CO 0.03 0.59 0.30 0.00 -1.65 0.00 0.00 177.43 176.69 3g8s h ALA 68 N 1.16 1.18 -0.30 -0.83 0.00 -1.15 -0.38 119.26 118.95 3g8s h ALA 68 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3g8s h ALA 68 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3g8s h ALA 68 CO -0.04 0.60 -0.21 1.25 0.00 0.00 0.00 179.25 180.86 3g8s h LEU 69 N 1.02 0.70 -0.68 0.00 6.46 -0.98 -1.78 115.31 120.04 3g8s h LEU 69 Ca 0.24 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 3g8s h LEU 69 Cb 0.18 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 3g8s h LEU 69 CO -0.02 0.98 0.31 0.03 -0.62 0.00 0.00 178.44 179.12 3g8s h ARG 70 N 0.41 0.99 0.01 1.25 3.08 -0.26 -3.23 114.38 116.63 3g8s h ARG 70 Ca 0.06 -0.15 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 3g8s h ARG 70 Cb 0.75 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 3g8s h ARG 70 CO 0.06 0.79 -1.21 0.77 -1.07 0.00 0.00 179.97 179.31 3g8s h SER 71 N 0.95 0.04 -0.03 7.04 0.02 -1.13 -3.39 113.55 117.06 3g8s h SER 71 Ca 0.23 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3g8s h SER 71 Cb 0.14 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3g8s h SER 71 CO -0.03 1.48 0.00 0.23 -1.14 0.00 0.00 176.83 177.37 3g8s n MET 72 N -4.37 1.18 -1.91 3.45 2.81 -0.67 -4.79 117.12 112.83 3g8s n MET 72 Ca -0.30 -0.27 -0.42 0.00 -1.81 0.00 0.00 57.70 54.90 3g8s n MET 72 Cb 0.70 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.81 3g8s n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3g8s s GLN 73 N -1.96 4.20 -1.01 0.03 2.00 -1.22 -2.64 119.66 119.05 3g8s s GLN 73 Ca 0.34 2.37 0.00 0.00 -2.00 0.00 0.00 55.36 56.07 3g8s s GLN 73 Cb 0.16 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.59 3g8s s GLN 73 CO 0.27 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 174.79 3g8s n GLY 74 N 3.90 1.10 3.67 2.59 0.00 0.05 -4.92 105.19 111.58 3g8s n GLY 74 Ca 0.15 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3g8s n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g8s s PHE 75 N -2.29 3.18 -0.22 1.61 2.19 -1.08 -4.41 117.98 116.95 3g8s s PHE 75 Ca 0.00 1.30 -0.29 0.00 0.33 0.00 0.00 56.93 58.27 3g8s s PHE 75 Cb 0.00 -3.36 -0.04 0.00 -1.31 0.00 0.00 43.02 38.31 3g8s s PHE 75 CO 0.00 -0.97 1.90 -2.14 1.83 0.00 0.00 175.22 175.85 3g8s s PRO 76 N 3.00 3.48 -0.25 10.12 0.02 -1.26 -0.73 135.00 149.38 3g8s s PRO 76 Ca 0.50 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 3g8s s PRO 76 Cb -0.19 -4.21 0.08 0.00 0.02 0.00 0.00 34.50 30.20 3g8s s PRO 76 CO 0.13 -1.69 0.07 0.12 -0.33 0.00 0.00 177.00 175.30 3g8s s PHE 77 N 6.62 1.11 -0.92 6.54 5.36 0.12 -4.75 117.98 132.06 3g8s s PHE 77 Ca 0.85 -1.14 -0.02 0.00 -0.96 0.00 0.00 56.93 55.67 3g8s s PHE 77 Cb -0.29 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.15 3g8s s PHE 77 CO 0.34 -0.73 0.78 0.66 -1.46 0.00 0.00 175.22 174.81 3g8s n TYR 78 N 5.02 -1.84 -0.75 10.12 4.01 -1.26 -3.36 117.16 129.10 3g8s n TYR 78 Ca -0.06 0.73 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 3g8s n TYR 78 Cb 0.45 -4.25 0.00 0.00 -0.31 0.00 0.00 39.34 35.22 3g8s n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g8s n ASP 79 N -2.78 -1.35 -3.99 7.72 9.92 -1.26 -4.70 116.55 120.11 3g8s n ASP 79 Ca -0.17 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.86 3g8s n ASP 79 Cb 0.62 -1.94 -0.16 0.00 -0.64 0.00 0.00 41.12 39.00 3g8s n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g8s s LYS 80 N -0.87 1.45 0.16 -1.24 1.02 -1.21 -5.06 119.74 113.98 3g8s s LYS 80 Ca 0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 3g8s s LYS 80 Cb 0.00 -1.24 -0.08 0.00 -0.52 0.00 0.00 37.83 35.99 3g8s s LYS 80 CO 0.00 0.01 1.31 -1.25 -0.92 0.00 0.00 175.35 174.51 3g8s s PRO 81 N 0.68 4.38 0.60 -1.68 0.04 -1.26 0.13 135.00 137.88 3g8s s PRO 81 Ca -0.13 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 3g8s s PRO 81 Cb -0.15 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3g8s s PRO 81 CO 0.03 -0.30 1.10 -1.64 0.04 0.00 0.00 177.00 176.23 3g8s s MET 82 N 0.38 3.12 -0.12 4.56 -1.94 0.09 -4.80 119.30 120.60 3g8s s MET 82 Ca 0.59 1.42 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 3g8s s MET 82 Cb -0.36 -1.99 0.02 0.00 2.01 0.00 0.00 34.83 34.51 3g8s s MET 82 CO 0.35 -1.00 -0.11 0.50 -0.01 0.00 0.00 175.02 174.75 3g8s s ARG 83 N -3.80 1.84 -0.09 2.03 3.52 -0.60 -0.77 118.95 121.08 3g8s s ARG 83 Ca 0.68 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.90 3g8s s ARG 83 Cb -0.20 -1.74 0.01 0.00 -1.56 0.00 0.00 34.95 31.47 3g8s s ARG 83 CO 0.35 -0.19 -0.13 0.42 -0.81 0.00 0.00 175.30 174.93 3g8s s ILE 84 N 1.42 1.29 0.49 4.11 1.01 -1.26 -0.79 121.20 127.47 3g8s s ILE 84 Ca 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3g8s s ILE 84 Cb -0.13 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3g8s s ILE 84 CO -0.06 0.40 0.05 -1.10 0.00 0.00 0.00 174.94 174.22 3g8s s GLN 85 N 0.92 2.14 0.62 2.79 -0.21 -0.52 -5.00 119.66 120.40 3g8s s GLN 85 Ca -0.09 -2.37 -0.09 0.00 0.02 0.00 0.00 55.36 52.84 3g8s s GLN 85 Cb -0.15 -1.21 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 3g8s s GLN 85 CO 0.00 -0.44 0.97 0.71 -2.12 0.00 0.00 175.29 174.42 3g8s s TYR 86 N -2.99 3.38 0.19 0.91 2.02 -1.26 -1.31 117.35 118.29 3g8s s TYR 86 Ca 0.09 0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 3g8s s TYR 86 Cb 0.01 -2.79 -0.08 0.00 -0.40 0.00 0.00 41.96 38.70 3g8s s TYR 86 CO 0.06 -0.85 1.16 0.00 -1.57 0.00 0.00 175.55 174.35 3g8s s ALA 87 N -3.11 3.41 0.33 3.71 0.00 -0.69 -4.34 121.76 121.07 3g8s s ALA 87 Ca 0.55 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3g8s s ALA 87 Cb -0.11 -3.39 0.58 0.00 0.00 0.00 0.00 23.12 20.21 3g8s s ALA 87 CO 0.49 -0.31 1.96 0.87 0.00 0.00 0.00 175.76 178.77 3g8s h LYS 88 N 5.12 0.80 -5.03 0.00 6.56 -1.95 -3.44 116.57 118.63 3g8s h LYS 88 Ca -0.45 -0.08 -0.33 0.00 -1.06 0.00 0.00 60.65 58.73 3g8s h LYS 88 Cb 1.21 -0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 32.57 3g8s h LYS 88 CO 0.73 0.59 -0.69 0.95 -2.06 0.00 0.00 179.45 178.98 3g8s s THR 89 N -5.54 1.05 0.28 -0.16 -4.23 -1.26 -4.96 115.64 100.82 3g8s s THR 89 Ca -0.10 -2.04 -0.30 0.00 -1.18 0.00 0.00 61.69 58.08 3g8s s THR 89 Cb 0.17 -2.03 -0.10 0.00 1.34 0.00 0.00 72.50 71.88 3g8s s THR 89 CO 0.77 -0.59 1.44 -1.81 -0.54 0.00 0.00 174.62 173.89 3g8s s ASP 90 N -3.21 6.62 0.62 3.99 1.01 -1.26 -4.95 116.67 119.49 3g8s s ASP 90 Ca 0.21 2.73 -0.17 0.00 0.71 0.00 0.00 52.55 56.04 3g8s s ASP 90 Cb 0.04 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3g8s s ASP 90 CO 0.03 -0.71 1.13 -0.44 0.21 0.00 0.00 175.17 175.39 3g8s s SER 91 N 0.18 5.25 0.25 0.27 0.01 -1.26 -4.73 113.70 113.66 3g8s s SER 91 Ca 0.57 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.89 3g8s s SER 91 Cb -0.42 -2.57 0.49 0.00 0.21 0.00 0.00 66.02 63.73 3g8s s SER 91 CO 0.47 -1.54 1.70 0.44 0.41 0.00 0.00 173.24 174.73 3g8s h ASP 92 N 0.42 0.14 0.51 2.44 5.19 -1.97 0.65 116.42 123.81 3g8s h ASP 92 Ca -0.48 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.02 3g8s h ASP 92 Cb 1.26 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 3g8s h ASP 92 CO 0.55 0.02 -0.18 -0.29 -3.12 0.00 0.00 179.24 176.21 3g8s h ILE 93 N 0.34 0.66 0.00 0.35 2.10 -1.92 0.91 117.51 119.94 3g8s h ILE 93 Ca 0.43 -0.79 -0.20 0.00 1.08 0.00 0.00 64.86 65.38 3g8s h ILE 93 Cb 0.72 1.50 -0.03 0.00 -1.09 0.00 0.00 36.82 37.92 3g8s h ILE 93 CO -0.47 0.18 -1.14 0.40 -1.08 0.00 0.00 178.15 176.03 3g8s h ILE 94 N 0.00 0.84 -0.68 2.19 1.08 -1.68 -3.39 117.51 115.87 3g8s h ILE 94 Ca -0.00 -2.05 0.03 0.00 -0.39 0.00 0.00 64.86 62.44 3g8s h ILE 94 Cb 0.49 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.21 3g8s h ILE 94 CO 0.02 0.28 0.45 0.00 -0.69 0.00 0.00 178.15 178.22 3g8s h ALA 95 N -0.54 1.60 -0.01 1.87 0.00 -0.83 -3.50 119.26 117.86 3g8s h ALA 95 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3g8s h ALA 95 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3g8s h ALA 95 CO -0.18 0.34 0.00 0.36 0.00 0.00 0.00 179.25 179.76