#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g8t s PRO 8 N 0.00 3.62 0.02 0.00 0.02 -1.26 -4.81 135.00 132.59 3g8t s PRO 8 Ca 0.00 2.21 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 3g8t s PRO 8 Cb 0.00 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 3g8t s PRO 8 CO 0.00 -0.80 0.09 1.21 -0.33 0.00 0.00 177.00 177.17 3g8t s ASN 9 N -0.80 0.14 0.58 2.53 3.84 -1.26 -5.03 114.94 114.93 3g8t s ASN 9 Ca 0.63 -0.42 0.28 0.00 0.21 0.00 0.00 52.86 53.56 3g8t s ASN 9 Cb -0.39 0.20 1.61 0.00 -0.55 0.00 0.00 41.25 42.12 3g8t s ASN 9 CO 0.49 -0.43 2.09 0.45 -2.79 0.00 0.00 177.10 176.92 3g8t h HIS 10 N 4.02 0.00 -3.35 0.43 3.86 -1.91 -3.41 115.15 114.79 3g8t h HIS 10 Ca -0.32 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.23 3g8t h HIS 10 Cb 1.19 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.48 3g8t h HIS 10 CO 0.58 0.00 -0.64 0.99 0.86 0.00 0.00 177.93 179.72 3g8t s THR 11 N -4.69 4.16 -0.18 2.45 2.01 -1.26 -0.15 115.64 117.98 3g8t s THR 11 Ca -0.05 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 3g8t s THR 11 Cb 0.16 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 3g8t s THR 11 CO 0.57 0.55 -0.03 0.27 -0.69 0.00 0.00 174.62 175.29 3g8t s ILE 12 N -0.31 3.76 -0.28 1.82 -4.36 -0.41 -1.19 121.20 120.23 3g8t s ILE 12 Ca 0.06 -0.39 -0.24 0.00 -0.26 0.00 0.00 60.65 59.82 3g8t s ILE 12 Cb -0.12 -2.67 -0.00 0.00 1.25 0.00 0.00 42.46 40.92 3g8t s ILE 12 CO 0.02 0.47 0.82 -0.47 0.24 0.00 0.00 174.94 176.01 3g8t s TYR 13 N 0.71 3.24 -0.22 1.37 5.04 0.11 -2.55 117.35 125.05 3g8t s TYR 13 Ca -0.02 0.95 -0.03 0.00 -2.44 0.00 0.00 57.07 55.53 3g8t s TYR 13 Cb -0.14 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 38.99 3g8t s TYR 13 CO 0.02 -0.51 -0.06 0.42 -1.34 0.00 0.00 175.55 174.08 3g8t s ILE 14 N 2.94 3.22 0.30 3.14 1.01 -0.00 -0.99 121.20 130.82 3g8t s ILE 14 Ca 0.34 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3g8t s ILE 14 Cb -0.14 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 3g8t s ILE 14 CO 0.11 0.43 0.04 -0.46 0.00 0.00 0.00 174.94 175.06 3g8t n ASN 15 N 4.78 2.09 -2.67 3.58 6.94 -0.32 -0.17 115.26 129.48 3g8t n ASN 15 Ca -0.18 -2.43 -0.19 0.00 -0.02 0.00 0.00 54.58 51.76 3g8t n ASN 15 Cb 0.51 0.43 0.04 0.00 -2.36 0.00 0.00 39.78 38.40 3g8t n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g8t n ASN 16 N -1.43 -5.38 -4.89 0.53 5.15 -1.14 -1.94 115.26 106.15 3g8t n ASN 16 Ca -0.09 -0.31 -0.30 0.00 -0.60 0.00 0.00 54.58 53.29 3g8t n ASN 16 Cb 0.41 -4.14 -0.04 0.00 -0.53 0.00 0.00 39.78 35.48 3g8t n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g8t s LEU 17 N -5.72 4.06 -0.07 1.20 1.43 -0.87 -4.57 118.68 114.14 3g8t s LEU 17 Ca 0.33 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 3g8t s LEU 17 Cb -0.15 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 3g8t s LEU 17 CO 0.41 -0.19 1.66 0.21 0.23 0.00 0.00 176.35 178.67 3g8t s ASN 18 N -2.98 6.63 0.13 2.29 3.84 -1.26 -4.56 114.94 119.03 3g8t s ASN 18 Ca 0.45 2.18 0.27 0.00 0.21 0.00 0.00 52.86 55.97 3g8t s ASN 18 Cb -0.11 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.94 3g8t s ASN 18 CO 0.28 -0.97 1.76 -0.62 -2.79 0.00 0.00 177.10 174.76 3g8t n GLU 19 N 7.20 0.17 0.00 0.43 1.02 -1.26 -3.36 120.64 124.84 3g8t n GLU 19 Ca 0.18 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.58 3g8t n GLU 19 Cb 0.43 -1.68 0.61 0.00 -0.02 0.00 0.00 31.44 30.77 3g8t n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3g8t n LYS 20 N -1.98 0.01 -3.18 3.49 4.01 -1.26 -4.85 118.16 114.41 3g8t n LYS 20 Ca 0.06 0.01 -0.39 0.00 -0.51 0.00 0.00 58.31 57.48 3g8t n LYS 20 Cb 0.40 -1.51 -0.06 0.00 -0.51 0.00 0.00 35.03 33.35 3g8t n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g8t s ILE 21 N -3.00 4.80 0.72 -0.18 1.09 -1.21 -5.05 121.20 118.36 3g8t s ILE 21 Ca 0.14 1.33 -0.14 0.00 -1.10 0.00 0.00 60.65 60.87 3g8t s ILE 21 Cb 0.19 -3.96 0.04 0.00 -1.06 0.00 0.00 42.46 37.66 3g8t s ILE 21 CO 0.54 0.45 1.16 -0.54 -0.10 0.00 0.00 174.94 176.45 3g8t s LYS 22 N -0.49 2.29 0.16 2.79 1.02 -1.26 -4.82 119.74 119.43 3g8t s LYS 22 Ca 0.32 1.57 -0.16 0.00 0.02 0.00 0.00 55.97 57.71 3g8t s LYS 22 Cb -0.19 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.35 3g8t s LYS 22 CO 0.19 -1.68 1.71 -0.22 -0.92 0.00 0.00 175.35 174.43 3g8t h LYS 23 N -0.37 0.13 0.04 1.68 3.11 -1.96 -1.52 116.57 117.67 3g8t h LYS 23 Ca -0.47 -0.01 -0.26 0.00 -2.81 0.00 0.00 60.65 57.10 3g8t h LYS 23 Cb 1.27 -0.03 0.02 0.00 -1.00 0.00 0.00 32.23 32.49 3g8t h LYS 23 CO 0.51 0.08 -1.08 0.22 -2.81 0.00 0.00 179.45 176.37 3g8t h ASP 24 N 0.13 0.76 -0.19 4.20 -0.00 -1.98 -1.56 116.42 117.79 3g8t h ASP 24 Ca 0.19 -0.64 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 3g8t h ASP 24 Cb 0.25 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 3g8t h ASP 24 CO -0.30 1.45 0.12 -0.08 -0.00 0.00 0.00 179.24 180.43 3g8t h GLU 25 N 0.30 0.25 -0.46 0.28 4.81 -1.92 -0.65 114.58 117.19 3g8t h GLU 25 Ca -0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3g8t h GLU 25 Cb 1.74 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 3g8t h GLU 25 CO 0.20 0.19 0.25 1.25 -0.73 0.00 0.00 179.01 180.17 3g8t h LEU 26 N 0.24 0.57 -1.05 1.64 5.85 -1.30 0.15 115.31 121.42 3g8t h LEU 26 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3g8t h LEU 26 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3g8t h LEU 26 CO -0.01 0.50 0.50 0.50 -0.34 0.00 0.00 178.44 179.58 3g8t h LYS 27 N 0.60 1.15 0.01 1.25 3.64 -1.08 -0.66 116.57 121.48 3g8t h LYS 27 Ca 0.16 -0.11 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 3g8t h LYS 27 Cb 0.05 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3g8t h LYS 27 CO -0.03 0.82 -1.19 0.87 -2.27 0.00 0.00 179.45 177.65 3g8t h LYS 28 N 1.17 0.02 -0.48 1.90 1.57 -0.93 -3.09 116.57 116.73 3g8t h LYS 28 Ca 0.30 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 3g8t h LYS 28 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3g8t h LYS 28 CO -0.05 0.89 -0.19 0.77 -0.57 0.00 0.00 179.45 180.29 3g8t h SER 29 N 0.00 0.98 0.33 0.86 0.02 -0.43 -2.27 113.55 113.04 3g8t h SER 29 Ca -0.09 -0.36 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 3g8t h SER 29 Cb 1.84 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 3g8t h SER 29 CO 0.12 1.14 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.47 3g8t h LEU 30 N 0.84 0.12 -0.70 5.07 3.38 -1.22 -2.72 115.31 120.09 3g8t h LEU 30 Ca 0.11 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3g8t h LEU 30 Cb 0.76 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3g8t h LEU 30 CO 0.06 0.52 -0.49 -0.74 0.09 0.00 0.00 178.44 177.88 3g8t h HIS 31 N 0.10 0.48 -0.97 1.13 2.76 -1.43 -2.66 115.15 114.56 3g8t h HIS 31 Ca 0.01 -0.16 0.14 0.00 -2.20 0.00 0.00 60.37 58.16 3g8t h HIS 31 Cb 0.77 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 29.55 3g8t h HIS 31 CO 0.01 0.81 0.59 0.00 -1.30 0.00 0.00 177.93 178.03 3g8t h ALA 32 N 1.16 1.49 0.00 5.26 0.00 -1.07 -2.65 119.26 123.45 3g8t h ALA 32 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3g8t h ALA 32 Cb 0.98 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3g8t h ALA 32 CO 0.08 0.12 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 3g8t h ILE 33 N 0.88 0.11 0.00 0.00 2.04 -1.56 -3.40 117.51 115.59 3g8t h ILE 33 Ca 0.50 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3g8t h ILE 33 Cb 0.59 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3g8t h ILE 33 CO -0.30 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.38 3g8t n PHE 34 N -4.71 0.00 -0.07 1.37 3.72 -1.01 -3.40 117.46 113.36 3g8t n PHE 34 Ca -0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.51 3g8t n PHE 34 Cb 0.12 -0.47 0.56 0.00 -0.94 0.00 0.00 39.48 38.75 3g8t n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g8t h SER 35 N 0.00 0.26 -0.25 4.37 4.64 -1.68 -2.10 113.55 118.79 3g8t h SER 35 Ca 0.00 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3g8t h SER 35 Cb 0.27 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3g8t h SER 35 CO 0.00 0.15 -0.09 0.08 -0.87 0.00 0.00 176.83 176.10 3g8t h ARG 36 N 0.29 0.63 -0.20 4.77 0.11 -1.86 -3.22 114.38 114.89 3g8t h ARG 36 Ca 0.29 -0.18 -0.10 0.00 0.10 0.00 0.00 59.98 60.08 3g8t h ARG 36 Cb 0.73 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 3g8t h ARG 36 CO -0.07 0.71 -0.31 0.74 0.10 0.00 0.00 179.97 181.14 3g8t h PHE 37 N 0.58 0.45 0.00 4.08 0.04 -1.64 -3.48 116.94 116.97 3g8t h PHE 37 Ca 0.11 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g8t h PHE 37 Cb 0.50 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3g8t h PHE 37 CO 0.02 0.67 0.00 0.41 -0.60 0.00 0.00 178.31 178.81 3g8t n GLY 38 N -0.30 -0.60 3.67 -1.45 0.00 -1.22 -4.51 105.19 100.77 3g8t n GLY 38 Ca -0.01 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3g8t n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g8t s GLN 39 N -0.57 4.28 -0.25 1.61 0.74 -1.26 -4.65 119.66 119.57 3g8t s GLN 39 Ca 0.00 1.02 -0.15 0.00 0.05 0.00 0.00 55.36 56.28 3g8t s GLN 39 Cb 0.00 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3g8t s GLN 39 CO 0.00 -0.36 0.35 0.42 -0.55 0.00 0.00 175.29 175.15 3g8t s ILE 40 N 2.26 5.20 -0.09 -2.34 1.01 -1.26 -2.06 121.20 123.93 3g8t s ILE 40 Ca 0.38 0.55 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 3g8t s ILE 40 Cb -0.16 -3.68 -0.28 0.00 0.01 0.00 0.00 42.46 38.35 3g8t s ILE 40 CO 0.12 0.21 0.57 -0.07 0.00 0.00 0.00 174.94 175.76 3g8t h LEU 41 N 8.21 0.45 -7.00 2.97 3.38 -1.01 -3.49 115.31 118.83 3g8t h LEU 41 Ca -0.34 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 56.72 3g8t h LEU 41 Cb 1.16 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.56 3g8t h LEU 41 CO 0.66 1.69 0.20 -0.62 0.09 0.00 0.00 178.44 180.46 3g8t s ASP 42 N -7.11 -0.68 -0.32 -0.43 -1.08 -1.25 -5.03 116.67 100.78 3g8t s ASP 42 Ca -0.19 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 3g8t s ASP 42 Cb 0.05 1.10 0.07 0.00 -1.46 0.00 0.00 42.92 42.68 3g8t s ASP 42 CO 0.79 -0.34 0.02 -0.63 0.52 0.00 0.00 175.17 175.53 3g8t s ILE 43 N -0.13 2.74 -0.31 4.11 1.01 -1.26 -1.38 121.20 125.97 3g8t s ILE 43 Ca -0.03 -1.73 -0.22 0.00 0.00 0.00 0.00 60.65 58.66 3g8t s ILE 43 Cb -0.03 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 3g8t s ILE 43 CO 0.03 -0.28 0.74 -0.76 0.00 0.00 0.00 174.94 174.66 3g8t s LEU 44 N 1.14 4.11 -0.07 2.97 1.02 -0.68 -4.91 118.68 122.25 3g8t s LEU 44 Ca -0.01 0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.73 3g8t s LEU 44 Cb -0.20 -2.99 0.02 0.00 0.02 0.00 0.00 46.19 43.03 3g8t s LEU 44 CO -0.04 -0.58 -0.11 -0.69 0.02 0.00 0.00 176.35 174.95 3g8t s VAL 45 N 2.86 1.05 0.23 -1.59 1.01 -1.26 -2.18 120.40 120.52 3g8t s VAL 45 Ca 0.30 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.93 3g8t s VAL 45 Cb -0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3g8t s VAL 45 CO 0.13 0.34 -0.09 -0.55 0.00 0.00 0.00 175.10 174.92 3g8t s SER 46 N 0.77 2.51 -0.11 3.32 0.15 -1.26 -5.04 113.70 114.04 3g8t s SER 46 Ca -0.13 -1.11 0.15 0.00 0.70 0.00 0.00 55.95 55.57 3g8t s SER 46 Cb -0.15 -0.12 0.23 0.00 -1.71 0.00 0.00 66.02 64.27 3g8t s SER 46 CO 0.02 -0.29 1.12 -1.14 1.20 0.00 0.00 173.24 174.15 3g8t n ARG 47 N -0.45 1.25 -1.67 5.44 3.00 -1.26 -3.86 116.66 119.10 3g8t n ARG 47 Ca -0.07 -2.31 -0.32 0.00 -0.00 0.00 0.00 57.85 55.16 3g8t n ARG 47 Cb 0.62 -1.34 0.05 0.00 0.00 0.00 0.00 32.46 31.78 3g8t n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g8t s SER 48 N -2.51 5.29 0.44 6.15 1.04 -1.26 -4.61 113.70 118.24 3g8t s SER 48 Ca 0.26 1.76 0.24 0.00 0.48 0.00 0.00 55.95 58.69 3g8t s SER 48 Cb 0.23 -2.52 1.24 0.00 0.10 0.00 0.00 66.02 65.07 3g8t s SER 48 CO 0.02 -1.50 1.77 0.25 0.98 0.00 0.00 173.24 174.76 3g8t h LEU 49 N -0.36 0.32 0.00 2.42 5.85 -1.97 0.22 115.31 121.79 3g8t h LEU 49 Ca -0.45 0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.10 3g8t h LEU 49 Cb 1.22 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3g8t h LEU 49 CO 0.56 0.04 -1.38 0.50 -0.34 0.00 0.00 178.44 177.82 3g8t h LYS 50 N 0.27 0.00 -0.03 1.25 3.64 -2.00 -3.39 116.57 116.31 3g8t h LYS 50 Ca 0.60 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3g8t h LYS 50 Cb 1.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3g8t h LYS 50 CO -0.24 0.58 0.00 -1.33 -2.27 0.00 0.00 179.45 176.20 3g8t n MET 51 N -3.11 1.39 -2.16 1.90 2.81 -0.24 -5.03 117.12 112.69 3g8t n MET 51 Ca -0.10 -1.17 -0.33 0.00 -1.81 0.00 0.00 57.70 54.29 3g8t n MET 51 Cb 0.96 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.43 3g8t n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g8t s ARG 52 N -0.64 3.38 -0.10 0.03 1.70 0.62 -3.43 118.95 120.52 3g8t s ARG 52 Ca 0.03 1.31 0.00 0.00 -0.47 0.00 0.00 55.73 56.60 3g8t s ARG 52 Cb 0.02 -2.04 0.00 0.00 -0.57 0.00 0.00 34.95 32.36 3g8t s ARG 52 CO 0.02 -0.77 0.00 0.41 -1.08 0.00 0.00 175.30 173.88 3g8t n GLY 53 N -0.63 0.35 3.20 3.88 0.00 -1.26 -4.99 105.19 105.74 3g8t n GLY 53 Ca 0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3g8t n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g8t s GLN 54 N -1.13 0.92 0.02 1.61 -0.21 -1.22 -2.04 119.66 117.60 3g8t s GLN 54 Ca 0.00 -1.09 -0.07 0.00 0.02 0.00 0.00 55.36 54.22 3g8t s GLN 54 Cb 0.00 -0.86 -0.00 0.00 1.00 0.00 0.00 33.01 33.15 3g8t s GLN 54 CO 0.00 0.18 0.13 0.00 -2.12 0.00 0.00 175.29 173.48 3g8t s ALA 55 N -1.70 -0.25 -0.38 6.09 0.00 0.77 -4.49 121.76 121.79 3g8t s ALA 55 Ca 0.03 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3g8t s ALA 55 Cb -0.07 0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.33 3g8t s ALA 55 CO 0.02 -0.26 0.12 -0.06 0.00 0.00 0.00 175.76 175.58 3g8t s PHE 56 N -1.91 3.13 -0.24 0.00 0.40 -0.92 -0.82 117.98 117.61 3g8t s PHE 56 Ca -0.11 -2.78 -0.23 0.00 -0.60 0.00 0.00 56.93 53.22 3g8t s PHE 56 Cb -0.05 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 3g8t s PHE 56 CO -0.01 -0.88 0.74 0.08 0.70 0.00 0.00 175.22 175.86 3g8t s VAL 57 N 0.70 4.90 -0.27 -0.44 1.01 -1.06 -1.69 120.40 123.55 3g8t s VAL 57 Ca 0.13 1.38 -0.10 0.00 0.00 0.00 0.00 61.98 63.39 3g8t s VAL 57 Cb -0.21 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3g8t s VAL 57 CO -0.08 -0.02 0.15 -0.63 0.00 0.00 0.00 175.10 174.52 3g8t s ILE 58 N 2.64 4.95 -0.01 2.22 1.01 -0.48 -1.28 121.20 130.24 3g8t s ILE 58 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 3g8t s ILE 58 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3g8t s ILE 58 CO 0.08 0.26 0.14 -0.36 0.00 0.00 0.00 174.94 175.06 3g8t s PHE 59 N 1.70 3.46 0.15 3.97 0.08 0.78 -0.31 117.98 127.82 3g8t s PHE 59 Ca 0.07 0.31 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 3g8t s PHE 59 Cb -0.16 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3g8t s PHE 59 CO 0.08 0.62 1.57 -0.22 -0.10 0.00 0.00 175.22 177.17 3g8t h LYS 60 N 3.98 0.94 -6.33 0.44 3.64 -1.69 -3.43 116.57 114.11 3g8t h LYS 60 Ca -0.49 -0.36 -0.69 0.00 -1.27 0.00 0.00 60.65 57.84 3g8t h LYS 60 Cb 1.19 -0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.74 3g8t h LYS 60 CO 0.66 1.02 -0.75 -1.21 -2.27 0.00 0.00 179.45 176.90 3g8t s GLU 61 N -4.81 2.47 0.30 1.90 0.41 -1.26 -5.02 118.70 112.70 3g8t s GLU 61 Ca -0.12 -0.73 -0.00 0.00 -0.41 0.00 0.00 54.97 53.71 3g8t s GLU 61 Cb 0.12 -2.41 0.47 0.00 -1.78 0.00 0.00 34.13 30.53 3g8t s GLU 61 CO 0.85 0.61 1.89 0.28 -0.49 0.00 0.00 175.26 178.40 3g8t h VAL 62 N 4.11 1.21 -0.97 2.63 2.07 -1.89 -2.17 116.25 121.25 3g8t h VAL 62 Ca -0.47 -0.63 0.22 0.00 0.82 0.00 0.00 66.70 66.64 3g8t h VAL 62 Cb 1.16 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3g8t h VAL 62 CO 0.51 0.25 0.63 -1.28 0.02 0.00 0.00 177.57 177.70 3g8t h SER 63 N 0.85 0.47 0.57 0.57 0.87 -1.95 0.12 113.55 115.04 3g8t h SER 63 Ca 0.20 0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.63 3g8t h SER 63 Cb 0.15 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3g8t h SER 63 CO -0.02 0.15 -0.88 0.28 -0.53 0.00 0.00 176.83 175.84 3g8t h SER 64 N 0.45 0.27 0.21 6.23 0.02 -1.62 -3.15 113.55 115.95 3g8t h SER 64 Ca 0.53 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 61.08 3g8t h SER 64 Cb 1.26 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 3g8t h SER 64 CO -0.24 1.02 -0.70 0.00 -1.14 0.00 0.00 176.83 175.77 3g8t h ALA 65 N 0.96 0.61 0.44 3.77 0.00 -0.71 -2.67 119.26 121.66 3g8t h ALA 65 Ca -0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3g8t h ALA 65 Cb 1.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3g8t h ALA 65 CO 0.13 0.75 -0.21 1.15 0.00 0.00 0.00 179.25 181.07 3g8t h THR 66 N 0.30 0.51 -0.93 0.00 2.02 -1.15 -2.33 112.91 111.32 3g8t h THR 66 Ca -0.03 -0.40 0.18 0.00 0.77 0.00 0.00 66.41 66.94 3g8t h THR 66 Cb 1.27 0.68 -0.11 0.00 -1.74 0.00 0.00 68.15 68.25 3g8t h THR 66 CO 0.12 0.07 0.52 0.78 0.37 0.00 0.00 175.52 177.38 3g8t h ASN 67 N -0.85 0.63 -0.59 4.18 2.35 -1.61 0.24 115.58 119.93 3g8t h ASN 67 Ca -0.06 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3g8t h ASN 67 Cb 0.56 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3g8t h ASN 67 CO 0.10 0.21 0.39 0.00 -1.65 0.00 0.00 177.43 176.47 3g8t h ALA 68 N 1.63 0.75 -0.34 -0.83 0.00 -1.41 0.12 119.26 119.18 3g8t h ALA 68 Ca 0.54 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 3g8t h ALA 68 Cb 0.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3g8t h ALA 68 CO -0.40 0.17 -0.34 1.25 0.00 0.00 0.00 179.25 179.92 3g8t h LEU 69 N 0.78 0.89 -0.28 0.00 6.46 -0.59 -1.87 115.31 120.69 3g8t h LEU 69 Ca 0.22 -0.47 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 3g8t h LEU 69 Cb -0.07 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 3g8t h LEU 69 CO -0.06 1.17 0.15 0.03 -0.62 0.00 0.00 178.44 179.12 3g8t h ARG 70 N 0.61 0.40 0.00 1.25 2.47 -0.27 -3.23 114.38 115.61 3g8t h ARG 70 Ca 0.05 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 3g8t h ARG 70 Cb 0.93 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3g8t h ARG 70 CO 0.08 0.35 -0.33 0.77 0.56 0.00 0.00 179.97 181.41 3g8t h SER 71 N 0.34 0.00 0.12 7.04 0.02 -0.80 -3.38 113.55 116.89 3g8t h SER 71 Ca 0.10 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3g8t h SER 71 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3g8t h SER 71 CO -0.02 0.78 0.00 0.23 -1.14 0.00 0.00 176.83 176.68 3g8t n MET 72 N -4.66 0.63 -1.65 3.45 2.81 -0.71 -4.83 117.12 112.17 3g8t n MET 72 Ca -0.08 0.02 -0.48 0.00 -1.81 0.00 0.00 57.70 55.35 3g8t n MET 72 Cb 0.24 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 3g8t n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3g8t n GLN 73 N -1.08 1.86 -0.77 0.03 -0.06 -1.22 -1.45 117.38 114.69 3g8t n GLN 73 Ca 0.16 0.67 0.00 0.00 -2.00 0.00 0.00 57.00 55.83 3g8t n GLN 73 Cb 0.11 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 23.89 3g8t n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g8t n GLY 74 N 3.19 0.49 3.69 1.69 0.00 0.10 -4.94 105.19 109.41 3g8t n GLY 74 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3g8t n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g8t n PHE 75 N -2.04 2.66 -2.16 1.61 -0.00 -0.53 -4.06 117.46 112.94 3g8t n PHE 75 Ca 0.00 -0.14 -0.43 0.00 -0.00 0.00 0.00 57.45 56.88 3g8t n PHE 75 Cb 0.02 -2.73 -0.02 0.00 -0.00 0.00 0.00 39.48 36.74 3g8t n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3g8t s PRO 76 N 2.57 4.13 -0.20 -7.13 0.02 -1.26 -0.67 135.00 132.47 3g8t s PRO 76 Ca 0.81 1.92 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 3g8t s PRO 76 Cb -0.48 -3.92 0.07 0.00 0.02 0.00 0.00 34.50 30.19 3g8t s PRO 76 CO 0.36 -0.88 0.09 0.12 -0.33 0.00 0.00 177.00 176.37 3g8t s PHE 77 N 4.06 0.32 -1.17 6.54 5.36 0.53 -4.74 117.98 128.88 3g8t s PHE 77 Ca 0.67 -0.49 -0.03 0.00 -0.96 0.00 0.00 56.93 56.12 3g8t s PHE 77 Cb -0.28 -0.78 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 3g8t s PHE 77 CO 0.25 -0.58 1.00 0.66 -1.46 0.00 0.00 175.22 175.08 3g8t n TYR 78 N 5.24 -2.29 0.00 10.12 4.01 -1.26 -3.14 117.16 129.85 3g8t n TYR 78 Ca -0.07 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.57 3g8t n TYR 78 Cb 0.47 -4.83 0.00 0.00 -0.31 0.00 0.00 39.34 34.67 3g8t n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g8t n ASP 79 N -2.87 0.00 -4.38 7.72 9.92 -1.26 -4.74 116.55 120.93 3g8t n ASP 79 Ca -0.16 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.77 3g8t n ASP 79 Cb 0.62 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.82 3g8t n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g8t s LYS 80 N 0.00 2.91 0.09 -1.24 1.02 -1.19 -5.01 119.74 116.32 3g8t s LYS 80 Ca 0.00 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 54.94 3g8t s LYS 80 Cb 0.00 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 3g8t s LYS 80 CO 0.00 0.39 1.32 -1.25 -0.92 0.00 0.00 175.35 174.89 3g8t s PRO 81 N -0.13 4.36 0.42 -1.68 0.04 -1.26 -0.35 135.00 136.40 3g8t s PRO 81 Ca -0.02 1.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 3g8t s PRO 81 Cb -0.14 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.02 3g8t s PRO 81 CO 0.04 -0.37 1.10 -1.64 0.04 0.00 0.00 177.00 176.16 3g8t s MET 82 N 1.13 4.03 -0.19 4.56 -1.94 0.16 -4.81 119.30 122.24 3g8t s MET 82 Ca 0.62 1.63 0.01 0.00 -1.71 0.00 0.00 55.69 56.24 3g8t s MET 82 Cb -0.34 -2.52 0.02 0.00 2.01 0.00 0.00 34.83 34.01 3g8t s MET 82 CO 0.30 -0.28 -0.19 0.50 -0.01 0.00 0.00 175.02 175.33 3g8t s ARG 83 N -2.53 2.93 -0.19 2.03 3.52 -0.82 -0.72 118.95 123.16 3g8t s ARG 83 Ca 0.59 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 55.31 3g8t s ARG 83 Cb -0.25 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3g8t s ARG 83 CO 0.31 -0.24 -0.13 0.42 -0.81 0.00 0.00 175.30 174.85 3g8t s ILE 84 N 1.27 2.70 0.38 4.11 1.01 -1.26 -1.18 121.20 128.24 3g8t s ILE 84 Ca 0.04 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.04 3g8t s ILE 84 Cb -0.14 -2.18 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 3g8t s ILE 84 CO -0.12 0.49 -0.03 -1.10 0.00 0.00 0.00 174.94 174.17 3g8t s GLN 85 N 1.26 1.90 0.40 2.79 -0.21 -0.17 -4.99 119.66 120.64 3g8t s GLN 85 Ca 0.03 -2.04 -0.23 0.00 0.02 0.00 0.00 55.36 53.15 3g8t s GLN 85 Cb -0.14 -1.66 -0.10 0.00 1.00 0.00 0.00 33.01 32.11 3g8t s GLN 85 CO -0.06 0.03 0.97 0.71 -2.12 0.00 0.00 175.29 174.82 3g8t s TYR 86 N -2.67 3.38 0.21 0.91 2.02 -1.26 0.05 117.35 119.99 3g8t s TYR 86 Ca 0.34 1.66 -0.31 0.00 -0.37 0.00 0.00 57.07 58.39 3g8t s TYR 86 Cb 0.07 -2.93 -0.10 0.00 -0.40 0.00 0.00 41.96 38.59 3g8t s TYR 86 CO 0.17 -0.17 1.54 0.00 -1.57 0.00 0.00 175.55 175.52 3g8t s ALA 87 N -1.92 3.73 0.35 3.71 0.00 -0.33 -4.57 121.76 122.73 3g8t s ALA 87 Ca 0.59 1.40 0.07 0.00 0.00 0.00 0.00 51.96 54.02 3g8t s ALA 87 Cb -0.14 -3.61 0.77 0.00 0.00 0.00 0.00 23.12 20.14 3g8t s ALA 87 CO 0.19 -0.80 1.89 0.87 0.00 0.00 0.00 175.76 177.91 3g8t h LYS 88 N 5.92 0.72 -5.14 0.00 6.56 -1.93 -3.44 116.57 119.26 3g8t h LYS 88 Ca -0.44 -0.04 -0.35 0.00 -1.06 0.00 0.00 60.65 58.76 3g8t h LYS 88 Cb 1.21 -0.16 -0.15 0.00 -0.57 0.00 0.00 32.23 32.56 3g8t h LYS 88 CO 0.85 0.48 -0.72 0.95 -2.06 0.00 0.00 179.45 178.95 3g8t s THR 89 N -5.70 1.22 0.51 -0.16 -4.23 -1.26 -5.02 115.64 101.00 3g8t s THR 89 Ca -0.10 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.20 3g8t s THR 89 Cb 0.21 -1.78 -0.06 0.00 1.34 0.00 0.00 72.50 72.22 3g8t s THR 89 CO 0.79 -0.68 1.29 -1.81 -0.54 0.00 0.00 174.62 173.67 3g8t s ASP 90 N -3.02 5.60 0.47 3.99 1.01 -1.26 -4.93 116.67 118.52 3g8t s ASP 90 Ca 0.15 2.61 -0.18 0.00 0.71 0.00 0.00 52.55 55.84 3g8t s ASP 90 Cb 0.01 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 3g8t s ASP 90 CO 0.01 -1.33 0.95 -0.44 0.21 0.00 0.00 175.17 174.57 3g8t s SER 91 N -1.08 6.75 0.26 0.27 0.01 -1.26 -4.99 113.70 113.67 3g8t s SER 91 Ca 0.68 1.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.48 3g8t s SER 91 Cb -0.36 -2.50 0.35 0.00 0.21 0.00 0.00 66.02 63.71 3g8t s SER 91 CO 0.43 -0.47 1.92 0.44 0.41 0.00 0.00 173.24 175.98 3g8t h ASP 92 N 1.39 1.08 0.76 2.44 3.32 -2.07 -1.25 116.42 122.09 3g8t h ASP 92 Ca -0.48 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 3g8t h ASP 92 Cb 1.18 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 3g8t h ASP 92 CO 0.62 0.75 -0.12 -0.29 -1.72 0.00 0.00 179.24 178.48 3g8t h ILE 93 N 1.26 0.36 -0.01 0.35 2.10 -2.04 -3.57 117.51 115.96 3g8t h ILE 93 Ca 0.38 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 65.59 3g8t h ILE 93 Cb -0.04 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 3g8t h ILE 93 CO -0.11 0.12 0.00 -0.38 -1.08 0.00 0.00 178.15 176.70