#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g96 s PRO 8 N 0.00 2.75 0.03 0.00 0.02 -1.26 -4.74 135.00 131.80 3g96 s PRO 8 Ca 0.00 0.81 -0.20 0.00 0.02 0.00 0.00 61.00 61.63 3g96 s PRO 8 Cb 0.00 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.58 3g96 s PRO 8 CO 0.00 -1.20 0.46 1.21 -0.33 0.00 0.00 177.00 177.15 3g96 s ASN 9 N -3.90 -0.36 0.22 2.53 3.84 -1.26 -4.93 114.94 111.07 3g96 s ASN 9 Ca 0.59 0.14 -0.08 0.00 0.21 0.00 0.00 52.86 53.71 3g96 s ASN 9 Cb -0.14 0.45 0.19 0.00 -0.55 0.00 0.00 41.25 41.20 3g96 s ASN 9 CO 0.54 -0.66 1.86 0.45 -2.79 0.00 0.00 177.10 176.51 3g96 h HIS 10 N 3.01 1.13 -2.99 0.43 3.86 -1.93 -3.43 115.15 115.24 3g96 h HIS 10 Ca -0.31 -0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.27 3g96 h HIS 10 Cb 1.20 -0.37 -0.08 0.00 1.06 0.00 0.00 27.41 29.22 3g96 h HIS 10 CO 0.40 0.76 -0.36 0.99 0.86 0.00 0.00 177.93 180.58 3g96 s THR 11 N -5.94 5.32 -0.16 2.45 2.01 -1.26 -2.77 115.64 115.29 3g96 s THR 11 Ca -0.13 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3g96 s THR 11 Cb 0.16 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 3g96 s THR 11 CO 0.81 0.52 -0.05 0.27 -0.69 0.00 0.00 174.62 175.49 3g96 s ILE 12 N -0.46 3.79 -0.36 1.82 -4.36 -0.49 -1.47 121.20 119.67 3g96 s ILE 12 Ca 0.17 -0.39 -0.24 0.00 -0.26 0.00 0.00 60.65 59.93 3g96 s ILE 12 Cb -0.13 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3g96 s ILE 12 CO 0.06 0.49 0.83 -0.47 0.24 0.00 0.00 174.94 176.08 3g96 s TYR 13 N 0.42 3.11 -0.18 1.37 5.04 0.98 -2.83 117.35 125.27 3g96 s TYR 13 Ca -0.04 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.19 3g96 s TYR 13 Cb -0.14 -3.46 -0.02 0.00 0.35 0.00 0.00 41.96 38.69 3g96 s TYR 13 CO 0.03 -0.75 -0.07 0.42 -1.34 0.00 0.00 175.55 173.85 3g96 s ILE 14 N 3.20 3.43 0.00 3.14 1.01 -0.30 -0.61 121.20 131.06 3g96 s ILE 14 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3g96 s ILE 14 Cb -0.13 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.83 3g96 s ILE 14 CO 0.17 0.47 0.00 -0.46 0.00 0.00 0.00 174.94 175.12 3g96 n ASN 15 N 4.09 0.74 -3.32 3.58 6.94 0.68 -0.09 115.26 127.89 3g96 n ASN 15 Ca -0.18 -0.63 -0.24 0.00 -0.02 0.00 0.00 54.58 53.51 3g96 n ASN 15 Cb 0.52 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.99 3g96 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g96 n ASN 16 N -1.43 -6.11 -4.90 0.53 5.15 -1.13 -1.31 115.26 106.06 3g96 n ASN 16 Ca 0.00 -0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 53.28 3g96 n ASN 16 Cb 0.00 -4.88 -0.03 0.00 -0.53 0.00 0.00 39.78 34.34 3g96 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g96 s LEU 17 N -6.98 4.02 -0.24 1.20 1.43 -1.00 -4.58 118.68 112.54 3g96 s LEU 17 Ca 0.44 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 3g96 s LEU 17 Cb -0.20 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3g96 s LEU 17 CO 0.55 -0.23 1.31 0.21 0.23 0.00 0.00 176.35 178.41 3g96 s ASN 18 N -3.24 6.77 0.18 2.29 3.84 -1.26 -4.44 114.94 119.08 3g96 s ASN 18 Ca 0.45 1.45 0.23 0.00 0.21 0.00 0.00 52.86 55.19 3g96 s ASN 18 Cb -0.11 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.96 3g96 s ASN 18 CO 0.31 -0.95 1.71 -0.62 -2.79 0.00 0.00 177.10 174.75 3g96 n GLU 19 N 7.03 0.16 0.13 0.43 1.02 -1.26 -3.09 120.64 125.07 3g96 n GLU 19 Ca 0.15 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.72 3g96 n GLU 19 Cb 0.46 -1.76 0.46 0.00 -0.02 0.00 0.00 31.44 30.57 3g96 n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3g96 h LYS 20 N 0.00 0.00 -6.00 3.49 6.56 -2.00 -3.45 116.57 115.17 3g96 h LYS 20 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 3g96 h LYS 20 Cb 0.45 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.05 3g96 h LYS 20 CO 0.00 0.00 -0.03 0.42 -2.06 0.00 0.00 179.45 177.78 3g96 s ILE 21 N -3.25 5.00 0.88 1.86 1.09 -1.18 -5.07 121.20 120.53 3g96 s ILE 21 Ca 0.07 1.20 -0.11 0.00 -1.10 0.00 0.00 60.65 60.70 3g96 s ILE 21 Cb 0.10 -3.92 0.12 0.00 -1.06 0.00 0.00 42.46 37.71 3g96 s ILE 21 CO 0.50 0.38 1.09 -1.59 -0.10 0.00 0.00 174.94 175.21 3g96 s LYS 22 N 0.11 1.35 0.11 2.79 -2.85 -1.26 -4.86 119.74 115.13 3g96 s LYS 22 Ca 0.31 0.87 -0.24 0.00 -1.00 0.00 0.00 55.97 55.91 3g96 s LYS 22 Cb -0.17 -1.81 -0.08 0.00 -2.06 0.00 0.00 37.83 33.70 3g96 s LYS 22 CO 0.16 -2.19 1.67 -0.22 0.10 0.00 0.00 175.35 174.87 3g96 h LYS 23 N -1.52 -0.27 -0.03 1.78 3.11 -1.97 -2.67 116.57 115.01 3g96 h LYS 23 Ca -0.49 0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.15 3g96 h LYS 23 Cb 1.28 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 3g96 h LYS 23 CO 0.54 -0.18 -0.89 0.22 -2.81 0.00 0.00 179.45 176.33 3g96 h ASP 24 N -0.28 0.55 -0.30 4.20 -0.00 -1.96 -1.31 116.42 117.32 3g96 h ASP 24 Ca 0.04 -0.42 -0.00 0.00 -0.00 0.00 0.00 57.03 56.65 3g96 h ASP 24 Cb 0.32 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.47 3g96 h ASP 24 CO -0.12 1.20 0.17 -0.08 -0.00 0.00 0.00 179.24 180.42 3g96 h GLU 25 N 0.26 0.41 -0.13 0.28 4.81 -1.95 -1.27 114.58 116.99 3g96 h GLU 25 Ca -0.07 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 3g96 h GLU 25 Cb 1.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 3g96 h GLU 25 CO 0.16 0.33 -0.36 1.25 -0.73 0.00 0.00 179.01 179.65 3g96 h LEU 26 N 0.37 0.28 -0.45 1.64 5.85 -1.49 0.12 115.31 121.64 3g96 h LEU 26 Ca 0.11 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3g96 h LEU 26 Cb 0.03 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3g96 h LEU 26 CO -0.02 0.62 0.00 1.17 -0.34 0.00 0.00 178.44 179.88 3g96 n LYS 27 N -4.07 0.13 -0.08 1.25 4.81 -0.50 -3.17 118.16 116.53 3g96 n LYS 27 Ca -0.01 0.36 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 3g96 n LYS 27 Cb 0.45 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 33.67 3g96 n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3g96 n LYS 28 N -1.98 0.84 0.22 1.64 5.02 -0.52 -4.34 118.16 119.04 3g96 n LYS 28 Ca 0.03 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 3g96 n LYS 28 Cb 0.21 -1.34 0.52 0.00 -0.02 0.00 0.00 35.03 34.40 3g96 n LYS 28 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3g96 h SER 29 N 0.00 0.00 1.08 4.39 0.02 -0.78 -1.17 113.55 117.10 3g96 h SER 29 Ca -0.37 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3g96 h SER 29 Cb 1.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 3g96 h SER 29 CO -0.04 0.25 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.86 3g96 h LEU 30 N 0.00 0.00 -1.09 5.07 3.38 -1.81 -3.21 115.31 117.65 3g96 h LEU 30 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3g96 h LEU 30 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3g96 h LEU 30 CO 0.03 0.42 -0.20 -0.74 0.09 0.00 0.00 178.44 178.04 3g96 h HIS 31 N 0.00 0.00 -0.12 1.13 2.76 -1.57 -0.88 115.15 116.47 3g96 h HIS 31 Ca -0.08 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.04 3g96 h HIS 31 Cb 1.39 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.34 3g96 h HIS 31 CO 0.00 0.20 -0.19 0.00 -1.30 0.00 0.00 177.93 176.64 3g96 h ALA 32 N 1.80 1.47 0.00 5.26 0.00 -1.24 -3.25 119.26 123.30 3g96 h ALA 32 Ca -0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 3g96 h ALA 32 Cb 0.75 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3g96 h ALA 32 CO 0.03 0.38 -1.77 -0.89 0.00 0.00 0.00 179.25 176.99 3g96 n ILE 33 N -4.24 1.39 0.69 0.00 5.41 -1.12 -4.58 119.36 116.92 3g96 n ILE 33 Ca -0.01 -0.13 0.04 0.00 1.00 0.00 0.00 62.75 63.65 3g96 n ILE 33 Cb 0.30 -2.00 0.26 0.00 -0.71 0.00 0.00 39.64 37.49 3g96 n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g96 n PHE 34 N -4.20 0.00 0.40 1.39 3.72 -0.35 -2.63 117.46 115.79 3g96 n PHE 34 Ca -0.34 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.20 3g96 n PHE 34 Cb 0.69 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.65 3g96 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g96 h SER 35 N 0.00 0.00 0.62 4.37 4.64 -1.76 -3.22 113.55 118.19 3g96 h SER 35 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3g96 h SER 35 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3g96 h SER 35 CO 0.00 0.00 -1.00 0.08 -0.87 0.00 0.00 176.83 175.04 3g96 h ARG 36 N 0.00 0.22 -0.14 4.77 0.11 -1.83 -3.34 114.38 114.17 3g96 h ARG 36 Ca 0.00 -0.28 -0.18 0.00 0.10 0.00 0.00 59.98 59.62 3g96 h ARG 36 Cb 0.67 0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.84 3g96 h ARG 36 CO 0.00 1.05 -0.67 0.74 0.10 0.00 0.00 179.97 181.19 3g96 h PHE 37 N 0.10 0.72 0.00 4.08 0.04 -1.79 -3.48 116.94 116.61 3g96 h PHE 37 Ca -0.07 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3g96 h PHE 37 Cb 1.67 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.70 3g96 h PHE 37 CO 0.04 1.06 0.00 0.41 -0.60 0.00 0.00 178.31 179.22 3g96 n GLY 38 N 0.47 -1.19 3.67 -1.45 0.00 -1.24 -4.49 105.19 100.95 3g96 n GLY 38 Ca -0.04 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3g96 n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g96 s GLN 39 N -1.62 4.29 -0.15 1.61 -2.07 -1.26 -4.41 119.66 116.05 3g96 s GLN 39 Ca 0.00 1.51 -0.27 0.00 -1.82 0.00 0.00 55.36 54.78 3g96 s GLN 39 Cb 0.00 -3.65 -0.01 0.00 -1.09 0.00 0.00 33.01 28.26 3g96 s GLN 39 CO 0.00 -0.58 0.90 0.42 -1.32 0.00 0.00 175.29 174.72 3g96 s ILE 40 N 2.95 4.84 -0.11 3.63 1.01 -1.26 -3.50 121.20 128.76 3g96 s ILE 40 Ca 0.50 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.67 3g96 s ILE 40 Cb -0.19 -4.21 -0.26 0.00 0.01 0.00 0.00 42.46 37.81 3g96 s ILE 40 CO 0.13 0.01 0.85 -0.07 0.00 0.00 0.00 174.94 175.86 3g96 h LEU 41 N 8.28 0.06 -7.01 2.97 3.38 -0.79 -3.49 115.31 118.71 3g96 h LEU 41 Ca -0.29 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.69 3g96 h LEU 41 Cb 1.13 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.67 3g96 h LEU 41 CO 0.85 0.98 0.17 -0.62 0.09 0.00 0.00 178.44 179.91 3g96 s ASP 42 N -6.24 -0.68 -0.17 -0.43 -1.08 -1.24 -5.02 116.67 101.81 3g96 s ASP 42 Ca -0.18 0.91 0.01 0.00 -0.52 0.00 0.00 52.55 52.76 3g96 s ASP 42 Cb -0.02 0.79 0.01 0.00 -1.46 0.00 0.00 42.92 42.24 3g96 s ASP 42 CO 0.70 -0.51 -0.17 -0.63 0.52 0.00 0.00 175.17 175.08 3g96 s ILE 43 N -0.76 2.37 -0.29 4.11 1.01 -1.26 -1.63 121.20 124.75 3g96 s ILE 43 Ca -0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 3g96 s ILE 43 Cb -0.01 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.48 3g96 s ILE 43 CO 0.07 0.52 0.03 -0.76 0.00 0.00 0.00 174.94 174.81 3g96 s LEU 44 N 1.07 3.73 -0.08 2.97 1.02 -1.20 -4.98 118.68 121.22 3g96 s LEU 44 Ca -0.00 -0.90 0.03 0.00 0.02 0.00 0.00 54.13 53.27 3g96 s LEU 44 Cb -0.14 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.28 3g96 s LEU 44 CO -0.06 -0.20 -0.19 -0.69 0.02 0.00 0.00 176.35 175.23 3g96 s VAL 45 N 1.40 1.63 -0.01 -1.59 1.01 -1.26 -2.81 120.40 118.77 3g96 s VAL 45 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3g96 s VAL 45 Cb -0.18 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3g96 s VAL 45 CO -0.00 0.47 -0.13 -0.55 0.00 0.00 0.00 175.10 174.89 3g96 s SER 46 N 0.43 1.49 -0.12 3.32 0.15 -1.26 -5.01 113.70 112.71 3g96 s SER 46 Ca -0.16 -0.23 0.16 0.00 0.70 0.00 0.00 55.95 56.43 3g96 s SER 46 Cb -0.16 -0.18 0.68 0.00 -1.71 0.00 0.00 66.02 64.65 3g96 s SER 46 CO 0.06 0.15 1.58 -1.14 1.20 0.00 0.00 173.24 175.09 3g96 n ARG 47 N 2.79 3.70 -1.27 5.44 3.00 -1.26 -3.04 116.66 126.02 3g96 n ARG 47 Ca -0.14 -2.69 -0.32 0.00 -0.00 0.00 0.00 57.85 54.70 3g96 n ARG 47 Cb 0.56 -1.91 0.10 0.00 0.00 0.00 0.00 32.46 31.20 3g96 n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g96 s SER 48 N -0.83 4.29 0.54 6.15 1.04 -1.26 -4.56 113.70 119.06 3g96 s SER 48 Ca 0.48 1.98 0.31 0.00 0.48 0.00 0.00 55.95 59.20 3g96 s SER 48 Cb 0.32 -2.54 1.48 0.00 0.10 0.00 0.00 66.02 65.37 3g96 s SER 48 CO 0.22 -2.19 1.90 0.25 0.98 0.00 0.00 173.24 174.40 3g96 h LEU 49 N -0.96 0.00 0.00 2.42 5.85 -1.96 0.14 115.31 120.79 3g96 h LEU 49 Ca -0.44 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 3g96 h LEU 49 Cb 1.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3g96 h LEU 49 CO 0.50 0.00 -2.00 0.29 -0.34 0.00 0.00 178.44 176.89 3g96 n LYS 50 N -4.25 0.66 0.00 1.25 4.01 -1.26 -4.56 118.16 114.01 3g96 n LYS 50 Ca 0.17 0.02 0.06 0.00 -0.51 0.00 0.00 58.31 58.06 3g96 n LYS 50 Cb 0.93 -1.61 0.03 0.00 -0.51 0.00 0.00 35.03 33.86 3g96 n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3g96 n MET 51 N -2.68 1.36 -2.25 1.97 2.81 -0.63 -5.00 117.12 112.70 3g96 n MET 51 Ca -0.19 -1.01 -0.40 0.00 -1.81 0.00 0.00 57.70 54.29 3g96 n MET 51 Cb 0.92 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 32.19 3g96 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g96 s ARG 52 N -1.34 4.40 -0.46 0.03 1.70 0.38 -2.83 118.95 120.84 3g96 s ARG 52 Ca 0.13 2.04 0.00 0.00 -0.47 0.00 0.00 55.73 57.43 3g96 s ARG 52 Cb 0.11 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.44 3g96 s ARG 52 CO 0.24 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.78 3g96 n GLY 53 N 0.90 0.45 3.09 3.88 0.00 -1.26 -4.95 105.19 107.30 3g96 n GLY 53 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 3g96 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g96 s GLN 54 N -3.35 0.62 -0.00 1.61 -0.21 -1.13 -2.38 119.66 114.82 3g96 s GLN 54 Ca 0.00 -1.08 -0.18 0.00 0.02 0.00 0.00 55.36 54.12 3g96 s GLN 54 Cb 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 33.01 34.02 3g96 s GLN 54 CO 0.00 -0.05 0.38 0.00 -2.12 0.00 0.00 175.29 173.51 3g96 s ALA 55 N -3.01 -0.96 -0.58 6.09 0.00 0.87 -4.57 121.76 119.60 3g96 s ALA 55 Ca 0.02 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.46 3g96 s ALA 55 Cb 0.01 0.14 0.16 0.00 0.00 0.00 0.00 23.12 23.43 3g96 s ALA 55 CO -0.05 -0.33 0.40 -0.06 0.00 0.00 0.00 175.76 175.72 3g96 s PHE 56 N -1.63 2.73 -0.02 0.00 0.40 -1.12 -1.16 117.98 117.18 3g96 s PHE 56 Ca -0.11 -2.96 -0.30 0.00 -0.60 0.00 0.00 56.93 52.96 3g96 s PHE 56 Cb -0.03 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 3g96 s PHE 56 CO 0.03 -0.66 1.10 0.08 0.70 0.00 0.00 175.22 176.46 3g96 s VAL 57 N -0.74 4.49 -0.35 -0.44 1.01 -1.13 -3.27 120.40 119.98 3g96 s VAL 57 Ca 0.25 1.79 -0.05 0.00 0.00 0.00 0.00 61.98 63.97 3g96 s VAL 57 Cb -0.07 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.22 3g96 s VAL 57 CO -0.13 0.08 0.11 -0.63 0.00 0.00 0.00 175.10 174.53 3g96 s ILE 58 N 1.50 3.51 0.10 2.22 1.01 -0.64 -1.40 121.20 127.49 3g96 s ILE 58 Ca 0.54 -1.43 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 3g96 s ILE 58 Cb -0.24 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 3g96 s ILE 58 CO 0.25 -0.30 0.46 -0.36 0.00 0.00 0.00 174.94 174.98 3g96 s PHE 59 N 1.31 3.61 0.10 3.97 0.08 -1.12 -0.01 117.98 125.92 3g96 s PHE 59 Ca -0.00 0.91 0.18 0.00 0.12 0.00 0.00 56.93 58.15 3g96 s PHE 59 Cb -0.21 -2.25 0.58 0.00 -0.57 0.00 0.00 43.02 40.57 3g96 s PHE 59 CO 0.00 0.50 1.68 -0.22 -0.10 0.00 0.00 175.22 177.08 3g96 h LYS 60 N 3.76 0.00 -5.68 0.44 3.64 -1.86 -3.43 116.57 113.44 3g96 h LYS 60 Ca -0.49 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.23 3g96 h LYS 60 Cb 1.20 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.81 3g96 h LYS 60 CO 0.66 0.39 -0.69 -1.21 -2.27 0.00 0.00 179.45 176.33 3g96 s GLU 61 N -3.48 3.23 0.45 1.90 0.41 -1.26 -5.00 118.70 114.95 3g96 s GLU 61 Ca 0.01 -0.55 0.23 0.00 -0.41 0.00 0.00 54.97 54.25 3g96 s GLU 61 Cb 0.10 -2.74 1.01 0.00 -1.78 0.00 0.00 34.13 30.73 3g96 s GLU 61 CO 0.69 0.43 1.87 0.28 -0.49 0.00 0.00 175.26 178.05 3g96 h VAL 62 N 4.77 0.65 -0.76 2.63 2.07 -1.89 -2.59 116.25 121.13 3g96 h VAL 62 Ca -0.38 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.14 3g96 h VAL 62 Cb 1.19 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3g96 h VAL 62 CO 0.57 0.23 0.50 -1.28 0.02 0.00 0.00 177.57 177.61 3g96 h SER 63 N 0.00 0.76 -0.20 0.57 0.87 -1.95 -1.40 113.55 112.20 3g96 h SER 63 Ca -0.00 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3g96 h SER 63 Cb 0.66 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3g96 h SER 63 CO 0.03 0.51 -0.26 0.28 -0.53 0.00 0.00 176.83 176.87 3g96 h SER 64 N 0.88 0.58 -0.34 6.23 0.02 -1.69 -3.16 113.55 116.07 3g96 h SER 64 Ca 0.31 -0.50 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3g96 h SER 64 Cb 0.13 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3g96 h SER 64 CO -0.10 0.96 0.00 0.00 -1.14 0.00 0.00 176.83 176.56 3g96 h ALA 65 N 0.63 1.20 -0.15 3.77 0.00 -1.38 -0.57 119.26 122.75 3g96 h ALA 65 Ca 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3g96 h ALA 65 Cb 0.83 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3g96 h ALA 65 CO 0.06 0.53 -0.05 1.15 0.00 0.00 0.00 179.25 180.94 3g96 h THR 66 N 0.66 1.30 -0.52 0.00 2.02 -1.36 -1.40 112.91 113.61 3g96 h THR 66 Ca 0.13 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 3g96 h THR 66 Cb 0.40 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3g96 h THR 66 CO 0.02 0.30 0.09 0.78 0.37 0.00 0.00 175.52 177.08 3g96 h ASN 67 N -0.01 0.77 -0.32 4.18 2.35 -1.48 0.19 115.58 121.25 3g96 h ASN 67 Ca 0.04 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 3g96 h ASN 67 Cb 0.49 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3g96 h ASN 67 CO 0.02 0.78 -0.09 0.00 -1.65 0.00 0.00 177.43 176.48 3g96 h ALA 68 N 1.32 1.05 -0.02 -0.83 0.00 -1.06 -0.25 119.26 119.46 3g96 h ALA 68 Ca 0.17 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3g96 h ALA 68 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3g96 h ALA 68 CO 0.00 0.58 -0.70 1.25 0.00 0.00 0.00 179.25 180.39 3g96 h LEU 69 N 0.67 0.16 -0.11 0.00 6.46 -0.90 -2.09 115.31 119.49 3g96 h LEU 69 Ca 0.12 -0.10 -0.16 0.00 -0.12 0.00 0.00 57.88 57.62 3g96 h LEU 69 Cb 0.55 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 3g96 h LEU 69 CO 0.03 0.80 -0.55 0.03 -0.62 0.00 0.00 178.44 178.14 3g96 h ARG 70 N 0.09 0.57 0.04 1.25 3.08 -0.65 -3.31 114.38 115.45 3g96 h ARG 70 Ca -0.02 -0.47 -0.27 0.00 0.07 0.00 0.00 59.98 59.30 3g96 h ARG 70 Cb 1.24 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 3g96 h ARG 70 CO 0.10 1.09 -1.49 0.77 -1.07 0.00 0.00 179.97 179.37 3g96 h SER 71 N 0.20 0.14 -0.21 7.04 0.02 -1.11 -3.39 113.55 116.23 3g96 h SER 71 Ca -0.04 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 3g96 h SER 71 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3g96 h SER 71 CO 0.11 1.61 0.00 0.23 -1.14 0.00 0.00 176.83 177.64 3g96 n MET 72 N -4.13 1.66 -1.85 3.45 2.81 -0.79 -4.84 117.12 113.44 3g96 n MET 72 Ca -0.32 -1.01 -0.42 0.00 -1.81 0.00 0.00 57.70 54.14 3g96 n MET 72 Cb 0.80 -1.32 -0.03 0.00 -0.71 0.00 0.00 33.22 31.96 3g96 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3g96 s GLN 73 N -1.72 4.18 -1.00 0.03 2.00 -1.25 -2.59 119.66 119.30 3g96 s GLN 73 Ca 0.27 2.44 0.00 0.00 -2.00 0.00 0.00 55.36 56.07 3g96 s GLN 73 Cb 0.14 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.47 3g96 s GLN 73 CO 0.21 -0.75 0.00 0.41 -0.50 0.00 0.00 175.29 174.66 3g96 n GLY 74 N 4.03 1.11 3.70 2.59 0.00 -1.09 -4.95 105.19 110.58 3g96 n GLY 74 Ca 0.16 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3g96 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g96 s PHE 75 N -2.34 3.19 -0.62 1.61 2.19 -1.07 -4.33 117.98 116.61 3g96 s PHE 75 Ca 0.00 1.09 -0.26 0.00 0.33 0.00 0.00 56.93 58.09 3g96 s PHE 75 Cb 0.00 -3.53 -0.04 0.00 -1.31 0.00 0.00 43.02 38.14 3g96 s PHE 75 CO 0.00 -1.78 1.99 -2.14 1.83 0.00 0.00 175.22 175.12 3g96 s PRO 76 N 1.67 2.48 -0.21 10.12 0.02 -1.26 -0.79 135.00 147.03 3g96 s PRO 76 Ca 0.60 0.68 0.02 0.00 0.02 0.00 0.00 61.00 62.32 3g96 s PRO 76 Cb -0.30 -4.50 0.04 0.00 0.02 0.00 0.00 34.50 29.76 3g96 s PRO 76 CO 0.27 -2.95 -0.14 0.12 -0.33 0.00 0.00 177.00 173.97 3g96 s PHE 77 N 9.95 2.84 -1.18 6.54 5.36 0.10 -4.67 117.98 136.92 3g96 s PHE 77 Ca 0.74 -1.87 -0.09 0.00 -0.96 0.00 0.00 56.93 54.74 3g96 s PHE 77 Cb -0.13 -1.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 3g96 s PHE 77 CO 0.19 -0.81 0.79 0.66 -1.46 0.00 0.00 175.22 174.59 3g96 n TYR 78 N 4.57 -2.04 -0.81 10.12 4.01 -1.26 -2.16 117.16 129.59 3g96 n TYR 78 Ca -0.17 0.70 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 3g96 n TYR 78 Cb 0.46 -3.97 0.00 0.00 -0.31 0.00 0.00 39.34 35.52 3g96 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g96 n ASP 79 N -2.95 -3.31 -4.02 7.72 9.92 -1.26 -4.75 116.55 117.90 3g96 n ASP 79 Ca -0.17 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.84 3g96 n ASP 79 Cb 0.63 -2.82 -0.17 0.00 -0.64 0.00 0.00 41.12 38.13 3g96 n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g96 s LYS 80 N -1.43 1.78 0.06 -1.24 1.02 -0.92 -5.08 119.74 113.94 3g96 s LYS 80 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.26 3g96 s LYS 80 Cb 0.00 -1.52 -0.06 0.00 -0.52 0.00 0.00 37.83 35.73 3g96 s LYS 80 CO 0.00 -0.02 1.33 -1.25 -0.92 0.00 0.00 175.35 174.50 3g96 s PRO 81 N 0.83 4.34 1.01 -1.68 0.04 -1.26 0.02 135.00 138.30 3g96 s PRO 81 Ca -0.11 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3g96 s PRO 81 Cb -0.15 -3.38 0.19 0.00 0.04 0.00 0.00 34.50 31.20 3g96 s PRO 81 CO 0.02 -0.43 1.08 -1.64 0.04 0.00 0.00 177.00 176.07 3g96 s MET 82 N 1.50 0.34 -0.15 4.56 -1.94 0.03 -4.78 119.30 118.86 3g96 s MET 82 Ca 0.62 0.69 -0.04 0.00 -1.71 0.00 0.00 55.69 55.25 3g96 s MET 82 Cb -0.33 -1.71 0.07 0.00 2.01 0.00 0.00 34.83 34.87 3g96 s MET 82 CO 0.29 -2.84 0.15 0.50 -0.01 0.00 0.00 175.02 173.11 3g96 s ARG 83 N -4.84 0.09 -0.13 2.03 3.52 -0.43 -2.66 118.95 116.54 3g96 s ARG 83 Ca 0.66 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.47 3g96 s ARG 83 Cb -0.20 -1.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 3g96 s ARG 83 CO 0.59 -0.55 -0.17 0.42 -0.81 0.00 0.00 175.30 174.78 3g96 s ILE 84 N 2.24 2.70 0.32 4.11 1.01 -1.26 -0.23 121.20 130.09 3g96 s ILE 84 Ca 0.04 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.94 3g96 s ILE 84 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3g96 s ILE 84 CO -0.09 0.53 0.10 -1.10 0.00 0.00 0.00 174.94 174.38 3g96 s GLN 85 N 0.43 1.63 0.49 2.79 -0.21 0.22 -5.00 119.66 120.02 3g96 s GLN 85 Ca -0.12 -1.92 -0.08 0.00 0.02 0.00 0.00 55.36 53.26 3g96 s GLN 85 Cb -0.16 -0.52 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 3g96 s GLN 85 CO 0.06 -0.32 0.84 0.71 -2.12 0.00 0.00 175.29 174.45 3g96 s TYR 86 N -3.46 3.55 0.27 0.91 2.02 -1.26 -0.01 117.35 119.37 3g96 s TYR 86 Ca 0.34 0.98 -0.29 0.00 -0.37 0.00 0.00 57.07 57.73 3g96 s TYR 86 Cb 0.07 -2.43 -0.09 0.00 -0.40 0.00 0.00 41.96 39.10 3g96 s TYR 86 CO 0.15 -0.32 1.19 0.00 -1.57 0.00 0.00 175.55 175.00 3g96 s ALA 87 N -2.74 3.45 0.14 3.71 0.00 -0.54 -4.48 121.76 121.31 3g96 s ALA 87 Ca 0.50 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 3g96 s ALA 87 Cb -0.10 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3g96 s ALA 87 CO 0.43 -0.36 1.71 0.87 0.00 0.00 0.00 175.76 178.41 3g96 h LYS 88 N 4.09 0.64 -5.93 0.00 6.56 -1.94 -3.44 116.57 116.55 3g96 h LYS 88 Ca -0.47 -0.10 -0.52 0.00 -1.06 0.00 0.00 60.65 58.50 3g96 h LYS 88 Cb 1.22 -0.11 -0.18 0.00 -0.57 0.00 0.00 32.23 32.59 3g96 h LYS 88 CO 0.69 0.56 -0.78 0.95 -2.06 0.00 0.00 179.45 178.81 3g96 s THR 89 N -5.65 1.81 0.52 -0.16 -4.23 -1.26 -4.97 115.64 101.70 3g96 s THR 89 Ca -0.13 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 58.24 3g96 s THR 89 Cb 0.11 -1.84 -0.06 0.00 1.34 0.00 0.00 72.50 72.05 3g96 s THR 89 CO 0.75 -0.31 1.38 -1.81 -0.54 0.00 0.00 174.62 174.10 3g96 s ASP 90 N -2.65 5.45 0.76 3.99 1.01 -1.26 -4.99 116.67 118.97 3g96 s ASP 90 Ca 0.15 2.82 -0.11 0.00 0.71 0.00 0.00 52.55 56.13 3g96 s ASP 90 Cb -0.06 -2.64 0.05 0.00 1.01 0.00 0.00 42.92 41.28 3g96 s ASP 90 CO 0.06 -1.46 1.08 -0.44 0.21 0.00 0.00 175.17 174.63 3g96 s SER 91 N -0.81 4.72 0.51 0.27 0.01 -1.26 -4.79 113.70 112.35 3g96 s SER 91 Ca 0.68 1.65 0.29 0.00 1.31 0.00 0.00 55.95 59.88 3g96 s SER 91 Cb -0.42 -2.42 1.33 0.00 0.21 0.00 0.00 66.02 64.73 3g96 s SER 91 CO 0.51 -1.87 1.99 0.44 0.41 0.00 0.00 173.24 174.72 3g96 h ASP 92 N -1.02 0.00 0.66 2.44 3.32 -1.96 0.13 116.42 120.00 3g96 h ASP 92 Ca -0.45 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 3g96 h ASP 92 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3g96 h ASP 92 CO 0.55 0.12 -0.73 -0.29 -1.72 0.00 0.00 179.24 177.16 3g96 h ILE 93 N 0.00 1.50 0.04 0.35 2.10 -1.93 -2.08 117.51 117.49 3g96 h ILE 93 Ca -0.00 -2.44 -0.35 0.00 1.08 0.00 0.00 64.86 63.15 3g96 h ILE 93 Cb 0.49 2.31 -0.04 0.00 -1.09 0.00 0.00 36.82 38.50 3g96 h ILE 93 CO 0.02 0.70 -1.99 -0.38 -1.08 0.00 0.00 178.15 175.41 3g96 n ILE 94 N -3.70 1.61 0.07 2.19 2.08 -1.00 -4.39 119.36 116.22 3g96 n ILE 94 Ca -0.01 -0.42 -0.06 0.00 0.56 0.00 0.00 62.75 62.82 3g96 n ILE 94 Cb 0.71 -1.78 0.12 0.00 -0.75 0.00 0.00 39.64 37.93 3g96 n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g96 h ALA 95 N -0.28 0.84 0.00 -1.39 0.00 -1.12 -3.49 119.26 113.81 3g96 h ALA 95 Ca -0.48 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3g96 h ALA 95 Cb 1.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3g96 h ALA 95 CO -0.12 0.70 0.00 0.36 0.00 0.00 0.00 179.25 180.19