#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 3.68 0.03 0.00 0.04 -1.26 -4.79 135.00 132.71 3g8t s PRO 8 Ca 0.00 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.31 3g8t s PRO 8 Cb 0.00 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.19 3g8t s PRO 8 CO 0.00 -0.13 0.27 1.21 0.04 0.00 0.00 177.00 178.38 3g8t s ASN 9 N -3.57 -0.08 0.55 6.66 3.84 -1.26 -5.03 114.94 116.05 3g8t s ASN 9 Ca 0.50 -0.21 0.23 0.00 0.21 0.00 0.00 52.86 53.60 3g8t s ASN 9 Cb -0.10 0.32 1.54 0.00 -0.55 0.00 0.00 41.25 42.46 3g8t s ASN 9 CO 0.38 -0.56 2.20 0.45 -2.79 0.00 0.00 177.10 176.77 3g8t h HIS 10 N 3.42 0.00 -3.48 0.43 3.86 -1.90 -3.43 115.15 114.05 3g8t h HIS 10 Ca -0.31 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.23 3g8t h HIS 10 Cb 1.19 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.47 3g8t h HIS 10 CO 0.48 0.01 -0.68 0.99 0.86 0.00 0.00 177.93 179.60 3g8t s THR 11 N -4.82 3.83 -0.18 2.45 2.01 -1.26 -1.43 115.64 116.24 3g8t s THR 11 Ca -0.05 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3g8t s THR 11 Cb 0.16 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3g8t s THR 11 CO 0.61 0.56 -0.00 0.27 -0.69 0.00 0.00 174.62 175.37 3g8t s ILE 12 N -0.40 4.10 -0.20 1.82 -4.36 -0.64 -1.16 121.20 120.35 3g8t s ILE 12 Ca 0.06 -0.28 -0.25 0.00 -0.26 0.00 0.00 60.65 59.92 3g8t s ILE 12 Cb -0.12 -2.83 -0.01 0.00 1.25 0.00 0.00 42.46 40.75 3g8t s ILE 12 CO 0.02 0.46 0.85 -0.47 0.24 0.00 0.00 174.94 176.04 3g8t s TYR 13 N 0.58 3.37 -0.20 1.37 5.04 0.85 -2.77 117.35 125.59 3g8t s TYR 13 Ca -0.01 1.22 -0.01 0.00 -2.44 0.00 0.00 57.07 55.84 3g8t s TYR 13 Cb -0.14 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.14 3g8t s TYR 13 CO 0.02 -0.32 -0.14 0.42 -1.34 0.00 0.00 175.55 174.19 3g8t s ILE 14 N 2.51 2.52 0.00 3.14 1.01 -0.29 -0.04 121.20 130.05 3g8t s ILE 14 Ca 0.37 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3g8t s ILE 14 Cb -0.16 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3g8t s ILE 14 CO 0.10 0.44 0.00 -0.46 0.00 0.00 0.00 174.94 175.02 3g8t n ASN 15 N 4.67 1.80 -1.69 3.58 6.94 -0.40 0.36 115.26 130.51 3g8t n ASN 15 Ca -0.19 -0.98 -0.20 0.00 -0.02 0.00 0.00 54.58 53.19 3g8t n ASN 15 Cb 0.49 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 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 -1.17 -5.52 -4.80 0.53 5.15 -1.15 -2.53 115.26 105.78 3g8t n ASN 16 Ca 0.00 0.42 -0.32 0.00 -0.60 0.00 0.00 54.58 54.08 3g8t n ASN 16 Cb 0.00 -4.76 0.05 0.00 -0.53 0.00 0.00 39.78 34.54 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 -4.85 3.23 -0.23 1.20 1.43 -1.13 -4.68 118.68 113.65 3g8t s LEU 17 Ca 0.00 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 3g8t s LEU 17 Cb 0.00 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 3g8t s LEU 17 CO 0.00 -1.55 1.26 0.21 0.23 0.00 0.00 176.35 176.49 3g8t s ASN 18 N -3.29 6.84 0.37 2.29 3.84 -1.26 -4.62 114.94 119.11 3g8t s ASN 18 Ca 0.61 1.46 0.19 0.00 0.21 0.00 0.00 52.86 55.33 3g8t s ASN 18 Cb -0.16 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.62 3g8t s ASN 18 CO 0.49 -0.89 1.70 -0.33 -2.79 0.00 0.00 177.10 175.29 3g8t h GLU 19 N 8.59 0.00 0.00 0.43 5.08 -1.95 -3.23 114.58 123.51 3g8t h GLU 19 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3g8t h GLU 19 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3g8t h GLU 19 CO 1.00 0.37 0.00 1.63 -1.00 0.00 0.00 179.01 181.01 3g8t n LYS 20 N -3.46 0.01 -3.52 2.33 4.01 -1.26 -4.76 118.16 111.51 3g8t n LYS 20 Ca 0.00 0.33 -0.38 0.00 -0.51 0.00 0.00 58.31 57.76 3g8t n LYS 20 Cb 0.53 -1.52 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 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 -3.02 5.14 0.70 -0.18 1.09 -1.22 -5.06 121.20 118.66 3g8t s ILE 21 Ca 0.05 0.75 -0.16 0.00 -1.10 0.00 0.00 60.65 60.18 3g8t s ILE 21 Cb 0.07 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 3g8t s ILE 21 CO 0.19 0.52 0.71 0.29 -0.10 0.00 0.00 174.94 176.56 3g8t n LYS 22 N 2.38 0.43 -0.29 2.79 5.02 -1.26 -4.78 118.16 122.44 3g8t n LYS 22 Ca -0.13 0.19 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 3g8t n LYS 22 Cb 0.52 -1.98 0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3g8t n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3g8t h LYS 23 N -0.23 1.06 0.07 1.97 3.11 -1.96 -1.85 116.57 118.74 3g8t h LYS 23 Ca -0.46 -0.07 -0.26 0.00 -2.81 0.00 0.00 60.65 57.04 3g8t h LYS 23 Cb 1.35 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 32.33 3g8t h LYS 23 CO 0.45 0.71 -1.29 0.22 -2.81 0.00 0.00 179.45 176.73 3g8t h ASP 24 N 1.08 0.24 0.10 4.20 -0.00 -1.96 -2.66 116.42 117.42 3g8t h ASP 24 Ca 0.29 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3g8t h ASP 24 Cb -0.11 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.14 3g8t h ASP 24 CO -0.06 1.23 -0.05 -0.08 -0.00 0.00 0.00 179.24 180.28 3g8t h GLU 25 N 0.04 -0.13 -0.79 0.28 4.81 -1.92 -1.81 114.58 115.06 3g8t h GLU 25 Ca -0.14 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3g8t h GLU 25 Cb 1.92 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 31.27 3g8t h GLU 25 CO 0.16 0.14 0.45 1.25 -0.73 0.00 0.00 179.01 180.28 3g8t h LEU 26 N -0.41 0.65 -0.70 1.64 5.85 -1.43 0.41 115.31 121.33 3g8t h LEU 26 Ca -0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3g8t h LEU 26 Cb 0.34 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3g8t h LEU 26 CO 0.02 0.38 0.45 0.50 -0.34 0.00 0.00 178.44 179.46 3g8t h LYS 27 N 0.77 0.87 0.03 1.25 3.64 -1.43 -1.99 116.57 119.71 3g8t h LYS 27 Ca 0.37 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.46 3g8t h LYS 27 Cb 0.31 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3g8t h LYS 27 CO -0.23 0.58 -1.03 0.87 -2.27 0.00 0.00 179.45 177.37 3g8t h LYS 28 N 0.90 0.44 -0.18 1.90 1.57 -0.25 -3.12 116.57 117.83 3g8t h LYS 28 Ca 0.27 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 3g8t h LYS 28 Cb -0.04 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3g8t h LYS 28 CO -0.09 1.17 -0.30 0.77 -0.57 0.00 0.00 179.45 180.43 3g8t h SER 29 N 0.23 0.37 -0.18 0.86 0.02 -0.19 -2.65 113.55 112.00 3g8t h SER 29 Ca -0.10 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 3g8t h SER 29 Cb 1.68 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 3g8t h SER 29 CO 0.18 0.66 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.19 3g8t h LEU 30 N 0.32 0.67 -0.94 5.07 3.38 -1.39 -2.96 115.31 119.46 3g8t h LEU 30 Ca 0.04 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3g8t h LEU 30 Cb 0.70 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3g8t h LEU 30 CO 0.05 0.91 -0.51 -0.74 0.09 0.00 0.00 178.44 178.24 3g8t h HIS 31 N 0.57 0.00 -0.17 1.13 2.76 -1.45 -2.01 115.15 115.97 3g8t h HIS 31 Ca 0.07 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3g8t h HIS 31 Cb 0.76 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 3g8t h HIS 31 CO 0.03 0.51 0.15 0.00 -1.30 0.00 0.00 177.93 177.33 3g8t h ALA 32 N 1.49 1.95 0.00 5.26 0.00 -1.30 -2.67 119.26 123.99 3g8t h ALA 32 Ca -0.01 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3g8t h ALA 32 Cb 0.94 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3g8t h ALA 32 CO 0.07 -0.24 -1.98 -0.89 0.00 0.00 0.00 179.25 176.20 3g8t n ILE 33 N -4.11 0.98 1.81 0.00 5.41 -1.12 -4.60 119.36 117.73 3g8t n ILE 33 Ca 0.01 -0.36 0.15 0.00 1.00 0.00 0.00 62.75 63.56 3g8t n ILE 33 Cb 0.28 -1.20 0.88 0.00 -0.71 0.00 0.00 39.64 38.89 3g8t n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g8t n PHE 34 N -3.12 0.00 1.93 1.39 3.72 -0.77 -3.52 117.46 117.08 3g8t n PHE 34 Ca -0.31 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.23 3g8t n PHE 34 Cb 0.81 -0.06 0.85 0.00 -0.94 0.00 0.00 39.48 40.13 3g8t n PHE 34 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3g8t n SER 35 N -1.06 0.00 -0.01 4.37 3.41 -1.01 -3.29 113.62 116.03 3g8t n SER 35 Ca 0.21 -1.04 -0.02 0.00 -0.26 0.00 0.00 58.87 57.76 3g8t n SER 35 Cb 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 3g8t n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3g8t n ARG 36 N -0.96 0.64 0.16 4.33 1.85 -1.23 -4.29 116.66 117.16 3g8t n ARG 36 Ca 0.21 0.14 0.04 0.00 -1.00 0.00 0.00 57.85 57.24 3g8t n ARG 36 Cb 0.10 -1.72 0.16 0.00 -1.05 0.00 0.00 32.46 29.95 3g8t n ARG 36 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3g8t h PHE 37 N 0.00 0.00 0.00 2.89 0.04 -1.82 -3.49 116.94 114.56 3g8t h PHE 37 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 3g8t h PHE 37 Cb 1.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.87 3g8t h PHE 37 CO 0.00 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 3g8t n GLY 38 N 0.84 -1.61 3.74 -1.45 0.00 -1.26 -4.58 105.19 100.87 3g8t n GLY 38 Ca 0.01 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 3g8t n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g8t s GLN 39 N -1.68 4.41 -0.21 1.61 -2.07 -1.26 -4.52 119.66 115.93 3g8t s GLN 39 Ca 0.00 0.87 -0.14 0.00 -1.82 0.00 0.00 55.36 54.27 3g8t s GLN 39 Cb 0.00 -3.39 -0.04 0.00 -1.09 0.00 0.00 33.01 28.49 3g8t s GLN 39 CO 0.00 0.24 0.29 0.42 -1.32 0.00 0.00 175.29 174.92 3g8t s ILE 40 N 0.19 5.27 -0.03 3.63 1.01 -1.26 -3.05 121.20 126.97 3g8t s ILE 40 Ca 0.35 0.48 -0.21 0.00 0.00 0.00 0.00 60.65 61.27 3g8t s ILE 40 Cb -0.19 -3.63 -0.26 0.00 0.01 0.00 0.00 42.46 38.39 3g8t s ILE 40 CO 0.19 0.30 1.01 -0.07 0.00 0.00 0.00 174.94 176.37 3g8t h LEU 41 N 7.50 0.45 -7.00 2.97 3.38 -1.30 -3.48 115.31 117.83 3g8t h LEU 41 Ca -0.37 -0.84 -0.02 0.00 0.09 0.00 0.00 57.88 56.74 3g8t h LEU 41 Cb 1.16 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.55 3g8t h LEU 41 CO 0.70 1.24 0.19 -0.62 0.09 0.00 0.00 178.44 180.03 3g8t s ASP 42 N -6.75 -0.70 -0.24 -0.43 -1.08 -1.25 -5.03 116.67 101.18 3g8t s ASP 42 Ca -0.14 1.34 -0.06 0.00 -0.52 0.00 0.00 52.55 53.18 3g8t s ASP 42 Cb 0.02 1.36 -0.02 0.00 -1.46 0.00 0.00 42.92 42.82 3g8t s ASP 42 CO 0.81 -0.23 0.03 -0.63 0.52 0.00 0.00 175.17 175.67 3g8t s ILE 43 N 0.40 3.93 -0.25 4.11 1.01 -1.26 -1.46 121.20 127.69 3g8t s ILE 43 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 3g8t s ILE 43 Cb -0.05 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3g8t s ILE 43 CO -0.01 0.34 0.13 -0.76 0.00 0.00 0.00 174.94 174.64 3g8t s LEU 44 N 1.55 3.88 -0.04 2.97 1.02 0.26 -4.94 118.68 123.39 3g8t s LEU 44 Ca 0.06 -0.00 0.01 0.00 0.02 0.00 0.00 54.13 54.22 3g8t s LEU 44 Cb -0.15 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 44.03 3g8t s LEU 44 CO 0.01 0.02 -0.06 -0.69 0.02 0.00 0.00 176.35 175.65 3g8t s VAL 45 N 1.30 0.65 0.22 -1.59 1.01 -1.26 -1.68 120.40 119.05 3g8t s VAL 45 Ca 0.06 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3g8t s VAL 45 Cb -0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3g8t s VAL 45 CO 0.06 0.24 -0.01 -0.55 0.00 0.00 0.00 175.10 174.84 3g8t s SER 46 N 0.72 1.83 -0.06 3.32 0.15 -1.26 -5.04 113.70 113.36 3g8t s SER 46 Ca -0.11 -1.20 0.09 0.00 0.70 0.00 0.00 55.95 55.43 3g8t s SER 46 Cb -0.13 0.01 0.13 0.00 -1.71 0.00 0.00 66.02 64.32 3g8t s SER 46 CO 0.01 -0.50 1.03 -1.14 1.20 0.00 0.00 173.24 173.84 3g8t n ARG 47 N -0.40 1.72 -1.32 5.44 3.00 -1.26 -3.83 116.66 120.01 3g8t n ARG 47 Ca -0.05 -1.87 -0.32 0.00 -0.00 0.00 0.00 57.85 55.61 3g8t n ARG 47 Cb 0.64 -1.14 0.09 0.00 0.00 0.00 0.00 32.46 32.04 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 -1.78 4.43 0.33 6.15 1.04 -1.26 -4.55 113.70 118.06 3g8t s SER 48 Ca 0.15 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.62 3g8t s SER 48 Cb 0.13 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.61 3g8t s SER 48 CO 0.01 -2.09 1.74 0.25 0.98 0.00 0.00 173.24 174.14 3g8t h LEU 49 N -0.89 0.66 -0.31 2.42 5.85 -1.96 0.28 115.31 121.35 3g8t h LEU 49 Ca -0.44 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.26 3g8t h LEU 49 Cb 1.24 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3g8t h LEU 49 CO 0.51 0.13 -0.65 0.50 -0.34 0.00 0.00 178.44 178.58 3g8t h LYS 50 N 0.58 0.00 0.00 1.25 3.64 -2.00 -3.37 116.57 116.67 3g8t h LYS 50 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 3g8t h LYS 50 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3g8t h LYS 50 CO -0.44 0.65 0.00 -1.33 -2.27 0.00 0.00 179.45 176.07 3g8t n MET 51 N -3.42 0.80 -2.65 1.90 2.81 -0.11 -5.04 117.12 111.41 3g8t n MET 51 Ca 0.00 -0.92 -0.36 0.00 -1.81 0.00 0.00 57.70 54.61 3g8t n MET 51 Cb 0.74 -0.97 -0.05 0.00 -0.71 0.00 0.00 33.22 32.22 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 -0.44 4.33 -1.03 0.03 1.70 0.81 -3.48 118.95 120.88 3g8t s ARG 52 Ca 0.00 1.42 -0.00 0.00 -0.47 0.00 0.00 55.73 56.67 3g8t s ARG 52 Cb 0.00 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3g8t s ARG 52 CO 0.00 0.03 0.04 0.41 -1.08 0.00 0.00 175.30 174.70 3g8t n GLY 53 N 0.34 -0.12 3.02 3.88 0.00 -1.26 -4.99 105.19 106.05 3g8t n GLY 53 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.67 0.40 0.02 1.61 -0.21 -1.23 -2.84 119.66 112.74 3g8t s GLN 54 Ca 0.02 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 3g8t s GLN 54 Cb -0.01 0.15 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 3g8t s GLN 54 CO 0.02 -0.07 0.13 0.00 -2.12 0.00 0.00 175.29 173.24 3g8t s ALA 55 N -1.99 -0.22 -0.28 6.09 0.00 0.16 -4.49 121.76 121.03 3g8t s ALA 55 Ca -0.11 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3g8t s ALA 55 Cb -0.06 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.33 3g8t s ALA 55 CO -0.03 -0.27 0.01 -0.06 0.00 0.00 0.00 175.76 175.42 3g8t s PHE 56 N -2.01 2.49 -0.29 0.00 0.40 -0.68 -1.14 117.98 116.75 3g8t s PHE 56 Ca -0.10 -2.01 -0.14 0.00 -0.60 0.00 0.00 56.93 54.08 3g8t s PHE 56 Cb -0.04 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 3g8t s PHE 56 CO -0.02 -0.84 0.31 0.08 0.70 0.00 0.00 175.22 175.46 3g8t s VAL 57 N 1.35 5.22 -0.27 -0.44 1.01 -1.11 -0.57 120.40 125.58 3g8t s VAL 57 Ca 0.02 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 3g8t s VAL 57 Cb -0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3g8t s VAL 57 CO -0.12 0.14 0.20 -0.63 0.00 0.00 0.00 175.10 174.69 3g8t s ILE 58 N 1.96 5.31 0.06 2.22 1.01 -0.53 -1.62 121.20 129.60 3g8t s ILE 58 Ca 0.12 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3g8t s ILE 58 Cb -0.16 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3g8t s ILE 58 CO 0.11 0.26 0.12 -0.36 0.00 0.00 0.00 174.94 175.07 3g8t s PHE 59 N 1.66 3.32 0.19 3.97 0.08 -0.52 -0.78 117.98 125.90 3g8t s PHE 59 Ca 0.08 0.16 -0.11 0.00 0.12 0.00 0.00 56.93 57.18 3g8t s PHE 59 Cb -0.16 -1.69 0.10 0.00 -0.57 0.00 0.00 43.02 40.71 3g8t s PHE 59 CO 0.10 0.55 1.78 -0.22 -0.10 0.00 0.00 175.22 177.33 3g8t h LYS 60 N 3.38 0.94 -6.47 0.44 3.64 -1.82 -3.43 116.57 113.25 3g8t h LYS 60 Ca -0.47 -0.14 -0.70 0.00 -1.27 0.00 0.00 60.65 58.08 3g8t h LYS 60 Cb 1.17 -0.17 -0.29 0.00 -0.41 0.00 0.00 32.23 32.53 3g8t h LYS 60 CO 0.69 0.74 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.53 3g8t s GLU 61 N -5.72 2.25 0.40 1.90 0.41 -1.26 -5.02 118.70 111.66 3g8t s GLU 61 Ca -0.13 -0.88 0.06 0.00 -0.41 0.00 0.00 54.97 53.61 3g8t s GLU 61 Cb 0.14 -2.12 0.81 0.00 -1.78 0.00 0.00 34.13 31.18 3g8t s GLU 61 CO 0.79 0.54 2.05 0.28 -0.49 0.00 0.00 175.26 178.43 3g8t h VAL 62 N 4.55 1.11 -0.73 2.63 2.07 -1.85 -2.13 116.25 121.91 3g8t h VAL 62 Ca -0.42 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.05 3g8t h VAL 62 Cb 1.13 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 31.21 3g8t h VAL 62 CO 0.48 0.11 0.02 -1.28 0.02 0.00 0.00 177.57 176.92 3g8t h SER 63 N 0.62 -0.29 0.00 0.57 0.87 -1.95 -0.55 113.55 112.82 3g8t h SER 63 Ca 0.17 0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.79 3g8t h SER 63 Cb -0.05 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3g8t h SER 63 CO -0.04 -0.15 -0.39 0.28 -0.53 0.00 0.00 176.83 176.00 3g8t h SER 64 N 0.12 0.53 -0.55 6.23 0.02 -1.63 -3.11 113.55 115.16 3g8t h SER 64 Ca 0.40 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3g8t h SER 64 Cb 0.69 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3g8t h SER 64 CO -0.62 0.86 -0.09 0.00 -1.14 0.00 0.00 176.83 175.84 3g8t h ALA 65 N 1.17 0.75 -0.40 3.77 0.00 -1.11 -2.05 119.26 121.38 3g8t h ALA 65 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3g8t h ALA 65 Cb 0.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3g8t h ALA 65 CO 0.07 0.66 0.27 1.15 0.00 0.00 0.00 179.25 181.40 3g8t h THR 66 N 0.91 1.10 -0.44 0.00 2.02 -1.13 0.18 112.91 115.57 3g8t h THR 66 Ca 0.14 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 3g8t h THR 66 Cb 0.66 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3g8t h THR 66 CO 0.05 0.10 -0.12 0.78 0.37 0.00 0.00 175.52 176.69 3g8t h ASN 67 N 0.55 0.79 -0.42 4.18 2.35 -1.49 -0.89 115.58 120.64 3g8t h ASN 67 Ca 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3g8t h ASN 67 Cb -0.06 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3g8t h ASN 67 CO -0.03 0.93 0.23 0.00 -1.65 0.00 0.00 177.43 176.90 3g8t h ALA 68 N 1.15 0.54 -0.31 -0.83 0.00 -1.02 0.19 119.26 118.99 3g8t h ALA 68 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g8t h ALA 68 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g8t h ALA 68 CO 0.04 0.08 0.19 1.25 0.00 0.00 0.00 179.25 180.81 3g8t h LEU 69 N 0.55 0.36 -0.08 0.00 6.46 -0.79 -1.90 115.31 119.91 3g8t h LEU 69 Ca 0.15 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 3g8t h LEU 69 Cb 0.07 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 3g8t h LEU 69 CO -0.02 0.30 -0.06 0.03 -0.62 0.00 0.00 178.44 178.06 3g8t h ARG 70 N 0.40 0.18 -0.08 1.25 3.08 -0.93 -2.99 114.38 115.29 3g8t h ARG 70 Ca 0.11 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3g8t h ARG 70 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3g8t h ARG 70 CO -0.02 0.59 -0.56 0.77 -1.07 0.00 0.00 179.97 179.68 3g8t h SER 71 N -0.22 0.63 0.23 7.04 0.02 -0.68 -3.33 113.55 117.23 3g8t h SER 71 Ca 0.01 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3g8t h SER 71 Cb 0.55 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3g8t h SER 71 CO 0.02 1.20 -0.19 0.23 -1.14 0.00 0.00 176.83 176.95 3g8t n MET 72 N -4.20 0.91 -1.68 3.45 2.81 -0.72 -4.88 117.12 112.82 3g8t n MET 72 Ca -0.09 -0.49 -0.45 0.00 -1.81 0.00 0.00 57.70 54.87 3g8t n MET 72 Cb 0.63 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.62 2.16 -0.97 0.03 -0.06 -1.13 -1.83 117.38 114.96 3g8t n GLN 73 Ca 0.14 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.91 3g8t n GLN 73 Cb 0.33 -2.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.01 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 2.85 0.41 3.69 1.69 0.00 0.66 -4.94 105.19 109.55 3g8t n GLY 74 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3g8t n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g8t s PHE 75 N -1.96 2.52 -0.10 1.61 2.19 -0.76 -4.27 117.98 117.22 3g8t s PHE 75 Ca 0.00 0.46 -0.29 0.00 0.33 0.00 0.00 56.93 57.43 3g8t s PHE 75 Cb 0.00 -3.87 -0.04 0.00 -1.31 0.00 0.00 43.02 37.80 3g8t s PHE 75 CO 0.00 -3.44 1.56 -2.14 1.83 0.00 0.00 175.22 173.04 3g8t s PRO 76 N 2.66 4.15 -0.19 10.12 0.02 -1.26 -0.30 135.00 150.20 3g8t s PRO 76 Ca 0.71 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 3g8t s PRO 76 Cb -0.37 -3.94 0.07 0.00 0.02 0.00 0.00 34.50 30.28 3g8t s PRO 76 CO 0.30 -0.86 0.12 0.12 -0.33 0.00 0.00 177.00 176.35 3g8t s PHE 77 N 4.04 0.12 -1.33 6.54 5.36 0.14 -4.78 117.98 128.08 3g8t s PHE 77 Ca 0.69 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 56.30 3g8t s PHE 77 Cb -0.30 -0.66 0.02 0.00 -0.34 0.00 0.00 43.02 41.74 3g8t s PHE 77 CO 0.26 -0.57 1.07 0.66 -1.46 0.00 0.00 175.22 175.18 3g8t n TYR 78 N 5.28 -2.54 -1.19 10.12 4.01 -1.26 -2.48 117.16 129.10 3g8t n TYR 78 Ca -0.07 0.97 -0.07 0.00 -0.16 0.00 0.00 57.90 58.58 3g8t n TYR 78 Cb 0.48 -4.87 -0.03 0.00 -0.31 0.00 0.00 39.34 34.61 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 -3.03 -4.00 -3.81 7.72 9.92 -1.26 -4.80 116.55 117.28 3g8t n ASP 79 Ca -0.10 0.16 -0.19 0.00 -0.53 0.00 0.00 54.79 54.13 3g8t n ASP 79 Cb 0.60 -2.08 -0.17 0.00 -0.64 0.00 0.00 41.12 38.83 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 -2.32 0.47 -0.00 -1.24 1.02 -1.04 -5.08 119.74 111.55 3g8t s LYS 80 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 3g8t s LYS 80 Cb 0.00 -0.69 -0.07 0.00 -0.52 0.00 0.00 37.83 36.55 3g8t s LYS 80 CO 0.00 -0.18 1.78 -1.25 -0.92 0.00 0.00 175.35 174.78 3g8t s PRO 81 N 1.34 4.17 0.32 -1.68 0.04 -1.25 0.29 135.00 138.22 3g8t s PRO 81 Ca -0.05 2.38 -0.28 0.00 0.04 0.00 0.00 61.00 63.08 3g8t s PRO 81 Cb -0.13 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.30 3g8t s PRO 81 CO -0.02 -0.88 1.21 -1.64 0.04 0.00 0.00 177.00 175.71 3g8t s MET 82 N 4.04 4.41 -0.20 4.56 -1.94 0.59 -4.82 119.30 125.95 3g8t s MET 82 Ca 0.79 2.01 -0.02 0.00 -1.71 0.00 0.00 55.69 56.76 3g8t s MET 82 Cb -0.38 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 3g8t s MET 82 CO 0.35 -0.06 -0.08 0.50 -0.01 0.00 0.00 175.02 175.71 3g8t s ARG 83 N -1.75 3.32 -0.07 2.03 3.52 -1.05 -0.24 118.95 124.71 3g8t s ARG 83 Ca 0.49 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3g8t s ARG 83 Cb -0.35 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 3g8t s ARG 83 CO 0.46 -0.11 -0.21 0.42 -0.81 0.00 0.00 175.30 175.05 3g8t s ILE 84 N 1.21 2.42 0.36 4.11 1.01 -1.26 -1.27 121.20 127.78 3g8t s ILE 84 Ca 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3g8t s ILE 84 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3g8t s ILE 84 CO -0.03 0.57 0.10 -1.10 0.00 0.00 0.00 174.94 174.48 3g8t s GLN 85 N -0.18 1.76 0.18 2.79 -0.21 0.94 -4.99 119.66 119.95 3g8t s GLN 85 Ca -0.02 -2.03 -0.22 0.00 0.02 0.00 0.00 55.36 53.11 3g8t s GLN 85 Cb -0.14 -0.64 -0.08 0.00 1.00 0.00 0.00 33.01 33.15 3g8t s GLN 85 CO 0.03 -0.35 0.74 0.71 -2.12 0.00 0.00 175.29 174.30 3g8t s TYR 86 N -3.32 3.78 0.24 0.91 2.02 -1.26 -0.10 117.35 119.62 3g8t s TYR 86 Ca 0.30 1.50 -0.31 0.00 -0.37 0.00 0.00 57.07 58.19 3g8t s TYR 86 Cb 0.05 -2.68 -0.12 0.00 -0.40 0.00 0.00 41.96 38.82 3g8t s TYR 86 CO 0.15 0.44 1.67 0.00 -1.57 0.00 0.00 175.55 176.24 3g8t s ALA 87 N -1.32 3.86 0.22 3.71 0.00 -0.31 -4.53 121.76 123.40 3g8t s ALA 87 Ca 0.38 1.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.85 3g8t s ALA 87 Cb -0.20 -3.68 0.29 0.00 0.00 0.00 0.00 23.12 19.53 3g8t s ALA 87 CO 0.23 -0.95 1.82 0.87 0.00 0.00 0.00 175.76 177.74 3g8t h LYS 88 N 6.06 0.76 -6.40 0.00 6.56 -1.95 -3.44 116.57 118.17 3g8t h LYS 88 Ca -0.45 -0.05 -0.60 0.00 -1.06 0.00 0.00 60.65 58.50 3g8t h LYS 88 Cb 1.21 -0.17 -0.21 0.00 -0.57 0.00 0.00 32.23 32.49 3g8t h LYS 88 CO 0.89 0.50 -0.83 0.95 -2.06 0.00 0.00 179.45 178.90 3g8t s THR 89 N -6.08 1.95 0.48 -0.16 -4.23 -1.26 -4.99 115.64 101.35 3g8t s THR 89 Ca -0.13 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 3g8t s THR 89 Cb 0.17 -1.78 -0.08 0.00 1.34 0.00 0.00 72.50 72.15 3g8t s THR 89 CO 0.77 -0.06 1.18 0.47 -0.54 0.00 0.00 174.62 176.44 3g8t n ASP 90 N 0.84 1.97 -4.80 3.99 9.92 -1.26 -4.97 116.55 122.24 3g8t n ASP 90 Ca -0.18 1.01 -0.33 0.00 -0.53 0.00 0.00 54.79 54.76 3g8t n ASP 90 Cb 0.54 -1.47 0.01 0.00 -0.64 0.00 0.00 41.12 39.57 3g8t n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3g8t s SER 91 N -0.79 5.77 0.11 -2.24 0.01 -1.26 -4.81 113.70 110.49 3g8t s SER 91 Ca 0.67 1.86 -0.17 0.00 1.31 0.00 0.00 55.95 59.61 3g8t s SER 91 Cb -0.48 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.17 3g8t s SER 91 CO 0.54 -1.18 1.63 0.44 0.41 0.00 0.00 173.24 175.08 3g8t h ASP 92 N 0.53 0.48 0.30 2.44 5.19 -1.98 0.76 116.42 124.14 3g8t h ASP 92 Ca -0.47 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 55.73 3g8t h ASP 92 Cb 1.22 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 3g8t h ASP 92 CO 0.57 0.56 -0.01 -0.29 -3.12 0.00 0.00 179.24 176.96 3g8t h ILE 93 N 0.37 0.07 0.00 0.35 2.10 -1.94 -0.12 117.51 118.35 3g8t h ILE 93 Ca 0.10 -0.18 -0.20 0.00 1.08 0.00 0.00 64.86 65.67 3g8t h ILE 93 Cb 0.26 1.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.12 3g8t h ILE 93 CO -0.00 0.01 -1.24 -0.38 -1.08 0.00 0.00 178.15 175.46 3g8t n ILE 94 N -3.17 1.50 -0.03 2.19 2.08 -0.78 -4.57 119.36 116.59 3g8t n ILE 94 Ca -0.02 -0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.17 3g8t n ILE 94 Cb 0.15 -2.12 -0.06 0.00 -0.75 0.00 0.00 39.64 36.86 3g8t n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g8t h ALA 95 N -0.70 0.15 -0.01 -1.39 0.00 0.58 -3.49 119.26 114.40 3g8t h ALA 95 Ca -0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3g8t h ALA 95 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g8t h ALA 95 CO -0.18 -0.23 0.00 0.36 0.00 0.00 0.00 179.25 179.20