#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 3.94 0.03 0.00 0.05 -1.26 -4.80 135.00 132.96 3g8s s PRO 8 Ca 0.00 0.73 -0.08 0.00 0.05 0.00 0.00 61.00 61.70 3g8s s PRO 8 Cb 0.00 -2.30 -0.00 0.00 0.05 0.00 0.00 34.50 32.25 3g8s s PRO 8 CO 0.00 -0.06 0.16 1.21 0.05 0.00 0.00 177.00 178.36 3g8s s ASN 9 N -2.80 0.06 0.40 6.66 3.84 -1.26 -5.03 114.94 116.81 3g8s s ASN 9 Ca 0.55 -0.36 0.14 0.00 0.21 0.00 0.00 52.86 53.40 3g8s s ASN 9 Cb -0.10 0.25 0.82 0.00 -0.55 0.00 0.00 41.25 41.67 3g8s s ASN 9 CO 0.26 -0.49 1.88 0.45 -2.79 0.00 0.00 177.10 176.40 3g8s h HIS 10 N 3.73 0.00 -2.79 0.43 3.86 -1.90 -3.44 115.15 115.03 3g8s h HIS 10 Ca -0.32 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.23 3g8s h HIS 10 Cb 1.19 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.58 3g8s h HIS 10 CO 0.54 0.31 -0.51 0.99 0.86 0.00 0.00 177.93 180.12 3g8s s THR 11 N -4.33 5.28 -0.11 2.45 2.01 -1.26 -2.26 115.64 117.42 3g8s s THR 11 Ca -0.03 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3g8s s THR 11 Cb 0.15 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3g8s s THR 11 CO 0.71 0.55 -0.12 0.27 -0.69 0.00 0.00 174.62 175.35 3g8s s ILE 12 N -1.07 3.16 -0.32 1.82 -4.36 -0.74 -1.50 121.20 118.20 3g8s s ILE 12 Ca 0.17 -0.64 -0.18 0.00 -0.26 0.00 0.00 60.65 59.74 3g8s s ILE 12 Cb -0.12 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.27 3g8s s ILE 12 CO 0.07 0.54 0.52 -0.47 0.24 0.00 0.00 174.94 175.84 3g8s s TYR 13 N -0.00 3.20 -0.14 1.37 5.04 -0.09 -2.55 117.35 124.19 3g8s s TYR 13 Ca -0.03 0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 3g8s s TYR 13 Cb -0.14 -2.88 -0.03 0.00 0.35 0.00 0.00 41.96 39.27 3g8s s TYR 13 CO 0.04 -0.46 -0.05 0.42 -1.34 0.00 0.00 175.55 174.16 3g8s s ILE 14 N 2.40 3.76 0.00 3.14 1.01 -0.35 -0.77 121.20 130.39 3g8s s ILE 14 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3g8s s ILE 14 Cb -0.15 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3g8s s ILE 14 CO 0.12 0.52 0.00 -0.46 0.00 0.00 0.00 174.94 175.12 3g8s n ASN 15 N 3.28 0.60 -2.52 3.58 6.94 0.42 -0.94 115.26 126.62 3g8s n ASN 15 Ca -0.18 -0.74 -0.19 0.00 -0.02 0.00 0.00 54.58 53.46 3g8s n ASN 15 Cb 0.53 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 -1.78 -5.27 -4.86 0.53 5.15 -1.15 -1.95 115.26 105.94 3g8s n ASN 16 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 3g8s n ASN 16 Cb 0.00 -4.39 -0.03 0.00 -0.53 0.00 0.00 39.78 34.83 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 -6.01 3.71 -0.10 1.20 1.43 -1.01 -4.58 118.68 113.32 3g8s s LEU 17 Ca 0.05 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 3g8s s LEU 17 Cb -0.02 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 3g8s s LEU 17 CO 0.06 -0.51 1.47 0.21 0.23 0.00 0.00 176.35 177.81 3g8s s ASN 18 N -3.11 6.80 0.47 2.29 3.84 -1.26 -4.54 114.94 119.44 3g8s s ASN 18 Ca 0.56 1.99 0.27 0.00 0.21 0.00 0.00 52.86 55.88 3g8s s ASN 18 Cb -0.10 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.82 3g8s s ASN 18 CO 0.31 -0.84 1.76 -0.33 -2.79 0.00 0.00 177.10 175.21 3g8s h GLU 19 N 8.87 0.00 0.00 0.43 5.08 -1.95 -3.25 114.58 123.76 3g8s h GLU 19 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3g8s h GLU 19 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3g8s h GLU 19 CO 0.96 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.64 3g8s n LYS 20 N -3.12 0.35 -3.68 2.33 4.01 -1.26 -4.70 118.16 112.09 3g8s n LYS 20 Ca 0.02 0.08 -0.36 0.00 -0.51 0.00 0.00 58.31 57.55 3g8s n LYS 20 Cb 0.45 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.39 3g8s n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g8s s ILE 21 N -2.41 5.38 0.56 -0.18 1.09 -1.23 -5.07 121.20 119.33 3g8s s ILE 21 Ca 0.20 0.32 -0.18 0.00 -1.10 0.00 0.00 60.65 59.89 3g8s s ILE 21 Cb 0.12 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.95 3g8s s ILE 21 CO 0.26 0.44 1.11 -1.59 -0.10 0.00 0.00 174.94 175.06 3g8s s LYS 22 N 0.23 3.29 0.13 2.79 -2.85 -1.26 -4.77 119.74 117.30 3g8s s LYS 22 Ca 0.12 1.52 -0.22 0.00 -1.00 0.00 0.00 55.97 56.39 3g8s s LYS 22 Cb -0.12 -2.01 -0.01 0.00 -2.06 0.00 0.00 37.83 33.64 3g8s s LYS 22 CO 0.01 -0.88 1.17 1.17 0.10 0.00 0.00 175.35 176.92 3g8s n LYS 23 N -1.53 -0.30 0.01 1.78 0.00 -1.26 -1.80 118.16 115.06 3g8s n LYS 23 Ca 0.11 1.15 -0.19 0.00 0.00 0.00 0.00 58.31 59.38 3g8s n LYS 23 Cb 0.51 -1.69 -0.10 0.00 0.00 0.00 0.00 35.03 33.76 3g8s n LYS 23 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 3g8s h ASP 24 N 0.00 0.82 -0.27 3.14 3.58 -1.97 -2.27 116.42 119.45 3g8s h ASP 24 Ca 0.15 -0.71 0.05 0.00 0.42 0.00 0.00 57.03 56.94 3g8s h ASP 24 Cb 0.34 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 3g8s h ASP 24 CO -0.72 1.42 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.94 3g8s h GLU 25 N 0.30 0.02 -0.59 0.28 4.81 -1.82 -0.13 114.58 117.46 3g8s h GLU 25 Ca -0.10 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3g8s h GLU 25 Cb 1.52 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.86 3g8s h GLU 25 CO 0.17 0.02 0.37 1.25 -0.73 0.00 0.00 179.01 180.09 3g8s h LEU 26 N 0.03 0.62 -1.02 1.64 5.85 -1.36 -0.50 115.31 120.56 3g8s h LEU 26 Ca 0.13 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3g8s h LEU 26 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3g8s h LEU 26 CO -0.26 0.44 0.36 0.50 -0.34 0.00 0.00 178.44 179.13 3g8s h LYS 27 N 0.74 1.05 0.00 1.25 3.64 -0.78 -1.50 116.57 120.98 3g8s h LYS 27 Ca 0.23 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 59.24 3g8s h LYS 27 Cb -0.02 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3g8s h LYS 27 CO -0.08 0.81 -1.11 0.87 -2.27 0.00 0.00 179.45 177.67 3g8s h LYS 28 N 1.05 0.01 -0.13 1.90 1.57 -0.79 -3.02 116.57 117.15 3g8s h LYS 28 Ca 0.26 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 3g8s h LYS 28 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3g8s h LYS 28 CO -0.03 0.93 -0.60 0.77 -0.57 0.00 0.00 179.45 179.95 3g8s h SER 29 N 0.00 0.50 0.75 0.86 0.02 -0.91 -2.76 113.55 112.01 3g8s h SER 29 Ca -0.05 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.52 3g8s h SER 29 Cb 1.81 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 3g8s h SER 29 CO 0.12 0.99 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.30 3g8s h LEU 30 N 0.33 0.00 -0.42 5.07 3.38 -1.34 -2.88 115.31 119.45 3g8s h LEU 30 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3g8s h LEU 30 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3g8s h LEU 30 CO 0.11 0.43 -0.27 -0.74 0.09 0.00 0.00 178.44 178.06 3g8s h HIS 31 N 0.00 0.00 0.00 1.13 2.76 -1.43 -2.60 115.15 115.01 3g8s h HIS 31 Ca -0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 3g8s h HIS 31 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 3g8s h HIS 31 CO 0.00 0.27 -0.31 0.00 -1.30 0.00 0.00 177.93 176.59 3g8s h ALA 32 N 1.73 1.24 0.00 5.26 0.00 -1.26 -3.17 119.26 123.06 3g8s h ALA 32 Ca -0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 3g8s h ALA 32 Cb 1.05 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3g8s h ALA 32 CO 0.04 0.38 -2.01 -0.89 0.00 0.00 0.00 179.25 176.77 3g8s n ILE 33 N -3.81 1.02 1.76 0.00 5.41 -1.22 -4.53 119.36 117.99 3g8s n ILE 33 Ca -0.01 -0.42 0.11 0.00 1.00 0.00 0.00 62.75 63.42 3g8s n ILE 33 Cb 0.39 -1.07 0.55 0.00 -0.71 0.00 0.00 39.64 38.81 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 -2.96 0.06 0.22 1.39 3.72 -0.98 -3.61 117.46 115.29 3g8s n PHE 34 Ca -0.31 -0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.17 3g8s n PHE 34 Cb 0.85 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.78 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 0.75 0.00 0.81 4.37 4.64 -1.76 -3.28 113.55 119.08 3g8s h SER 35 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3g8s h SER 35 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3g8s h SER 35 CO 0.00 0.18 -0.85 0.08 -0.87 0.00 0.00 176.83 175.38 3g8s h ARG 36 N 0.00 0.02 0.00 4.77 0.11 -1.88 -3.28 114.38 114.12 3g8s h ARG 36 Ca -0.00 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 59.97 3g8s h ARG 36 Cb 0.85 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 3g8s h ARG 36 CO 0.02 0.85 -0.38 0.74 0.10 0.00 0.00 179.97 181.31 3g8s h PHE 37 N 0.01 0.00 0.00 4.08 0.04 -1.82 -3.48 116.94 115.77 3g8s h PHE 37 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3g8s h PHE 37 Cb 1.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.64 3g8s h PHE 37 CO 0.00 0.38 0.00 0.41 -0.60 0.00 0.00 178.31 178.50 3g8s n GLY 38 N 0.64 -0.79 3.71 -1.45 0.00 -1.24 -4.44 105.19 101.63 3g8s n GLY 38 Ca 0.01 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 4.57 -0.01 1.61 -2.07 -1.26 -4.44 119.66 116.06 3g8s s GLN 39 Ca 0.00 1.39 -0.20 0.00 -1.82 0.00 0.00 55.36 54.72 3g8s s GLN 39 Cb 0.00 -3.45 -0.05 0.00 -1.09 0.00 0.00 33.01 28.42 3g8s s GLN 39 CO 0.00 -0.01 0.59 0.42 -1.32 0.00 0.00 175.29 174.97 3g8s s ILE 40 N 0.88 4.93 -0.14 3.63 1.01 -1.26 -3.04 121.20 127.21 3g8s s ILE 40 Ca 0.50 1.24 -0.23 0.00 0.00 0.00 0.00 60.65 62.16 3g8s s ILE 40 Cb -0.21 -3.93 -0.21 0.00 0.01 0.00 0.00 42.46 38.13 3g8s s ILE 40 CO 0.28 0.41 0.57 -0.07 0.00 0.00 0.00 174.94 176.13 3g8s h LEU 41 N 5.71 0.00 -7.14 2.97 3.38 -0.45 -3.48 115.31 116.30 3g8s h LEU 41 Ca -0.45 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 56.70 3g8s h LEU 41 Cb 1.20 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.78 3g8s h LEU 41 CO 0.70 0.96 0.08 -0.62 0.09 0.00 0.00 178.44 179.65 3g8s s ASP 42 N -6.16 -0.50 -0.22 -0.43 -1.08 -1.22 -5.02 116.67 102.03 3g8s s ASP 42 Ca -0.17 0.29 0.02 0.00 -0.52 0.00 0.00 52.55 52.17 3g8s s ASP 42 Cb -0.02 0.51 0.04 0.00 -1.46 0.00 0.00 42.92 42.00 3g8s s ASP 42 CO 0.56 -0.71 -0.13 -0.63 0.52 0.00 0.00 175.17 174.78 3g8s s ILE 43 N -2.23 1.97 -0.32 4.11 1.01 -1.26 -0.53 121.20 123.95 3g8s s ILE 43 Ca -0.06 -1.27 -0.18 0.00 0.00 0.00 0.00 60.65 59.15 3g8s s ILE 43 Cb -0.01 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3g8s s ILE 43 CO 0.00 0.17 0.49 -0.76 0.00 0.00 0.00 174.94 174.84 3g8s s LEU 44 N 1.24 4.26 -0.06 2.97 1.02 -0.47 -4.90 118.68 122.74 3g8s s LEU 44 Ca -0.03 0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.26 3g8s s LEU 44 Cb -0.17 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.48 3g8s s LEU 44 CO -0.08 -0.40 -0.15 -0.69 0.02 0.00 0.00 176.35 175.05 3g8s s VAL 45 N 2.32 1.30 0.22 -1.59 1.01 -1.26 -1.49 120.40 120.90 3g8s s VAL 45 Ca 0.18 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3g8s s VAL 45 Cb -0.16 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3g8s s VAL 45 CO 0.12 0.39 -0.05 -0.55 0.00 0.00 0.00 175.10 175.01 3g8s s SER 46 N 0.47 2.07 -0.04 3.32 0.15 -1.26 -5.04 113.70 113.37 3g8s s SER 46 Ca -0.12 -1.15 0.06 0.00 0.70 0.00 0.00 55.95 55.44 3g8s s SER 46 Cb -0.15 -0.04 0.09 0.00 -1.71 0.00 0.00 66.02 64.21 3g8s s SER 46 CO 0.04 -0.41 1.03 -1.14 1.20 0.00 0.00 173.24 173.96 3g8s n ARG 47 N -0.40 2.26 -1.37 5.44 3.00 -1.26 -4.07 116.66 120.26 3g8s n ARG 47 Ca -0.07 -1.78 -0.31 0.00 -0.00 0.00 0.00 57.85 55.69 3g8s n ARG 47 Cb 0.63 -1.12 0.09 0.00 0.00 0.00 0.00 32.46 32.05 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 -1.55 4.57 0.42 6.15 1.04 -1.26 -4.58 113.70 118.48 3g8s s SER 48 Ca 0.10 1.65 0.21 0.00 0.48 0.00 0.00 55.95 58.39 3g8s s SER 48 Cb 0.09 -2.40 1.17 0.00 0.10 0.00 0.00 66.02 64.98 3g8s s SER 48 CO 0.01 -1.97 1.78 0.25 0.98 0.00 0.00 173.24 174.29 3g8s h LEU 49 N -1.08 0.37 0.00 2.42 5.85 -1.97 0.12 115.31 121.01 3g8s h LEU 49 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3g8s h LEU 49 Cb 1.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3g8s h LEU 49 CO 0.54 0.07 -1.27 0.29 -0.34 0.00 0.00 178.44 177.73 3g8s n LYS 50 N -4.55 0.51 -0.06 1.25 4.01 -1.26 -4.44 118.16 113.62 3g8s n LYS 50 Ca 0.25 -0.00 0.04 0.00 -0.51 0.00 0.00 58.31 58.09 3g8s n LYS 50 Cb 0.92 -1.67 0.07 0.00 -0.51 0.00 0.00 35.03 33.84 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 -2.33 2.38 -2.92 1.97 2.81 -0.17 -5.02 117.12 113.83 3g8s n MET 51 Ca -0.00 -1.99 -0.34 0.00 -1.81 0.00 0.00 57.70 53.56 3g8s n MET 51 Cb 0.52 -1.24 -0.07 0.00 -0.71 0.00 0.00 33.22 31.72 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 -1.76 4.22 -1.45 0.03 1.70 0.22 -3.63 118.95 118.28 3g8s s ARG 52 Ca 0.15 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.42 3g8s s ARG 52 Cb 0.13 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 32.13 3g8s s ARG 52 CO 0.03 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 3g8s n GLY 53 N -0.32 1.34 3.10 3.88 0.00 -1.26 -4.95 105.19 106.98 3g8s n GLY 53 Ca 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.27 0.75 -0.01 1.61 -0.21 -1.24 -2.40 119.66 114.89 3g8s s GLN 54 Ca 0.00 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.60 3g8s s GLN 54 Cb 0.00 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 33.32 3g8s s GLN 54 CO 0.00 0.17 0.17 0.00 -2.12 0.00 0.00 175.29 173.51 3g8s s ALA 55 N -0.92 -0.42 -0.40 6.09 0.00 -0.11 -4.37 121.76 121.64 3g8s s ALA 55 Ca -0.02 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3g8s s ALA 55 Cb -0.08 0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.20 3g8s s ALA 55 CO 0.01 -0.20 0.12 -0.06 0.00 0.00 0.00 175.76 175.63 3g8s s PHE 56 N -1.17 3.60 -0.28 0.00 0.40 -0.56 -1.21 117.98 118.76 3g8s s PHE 56 Ca -0.13 -2.99 -0.25 0.00 -0.60 0.00 0.00 56.93 52.96 3g8s s PHE 56 Cb -0.06 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.53 3g8s s PHE 56 CO 0.02 -0.90 0.88 0.08 0.70 0.00 0.00 175.22 176.00 3g8s s VAL 57 N 0.61 4.74 -0.40 -0.44 1.01 -1.06 -1.36 120.40 123.50 3g8s s VAL 57 Ca 0.12 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 3g8s s VAL 57 Cb -0.21 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.99 3g8s s VAL 57 CO -0.06 -0.24 0.27 -0.63 0.00 0.00 0.00 175.10 174.45 3g8s s ILE 58 N 3.08 4.99 0.18 2.22 1.01 0.31 -1.80 121.20 131.20 3g8s s ILE 58 Ca 0.37 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 3g8s s ILE 58 Cb -0.14 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 3g8s s ILE 58 CO 0.11 -0.31 0.46 -0.36 0.00 0.00 0.00 174.94 174.84 3g8s s PHE 59 N 1.63 3.45 0.13 3.97 0.08 -0.96 0.34 117.98 126.62 3g8s s PHE 59 Ca 0.04 0.71 -0.13 0.00 0.12 0.00 0.00 56.93 57.66 3g8s s PHE 59 Cb -0.19 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 3g8s s PHE 59 CO 0.08 0.36 1.55 -0.22 -0.10 0.00 0.00 175.22 176.89 3g8s h LYS 60 N 2.71 0.79 -6.33 0.44 3.64 -1.83 -3.43 116.57 112.56 3g8s h LYS 60 Ca -0.46 -0.29 -0.68 0.00 -1.27 0.00 0.00 60.65 57.95 3g8s h LYS 60 Cb 1.17 -0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 32.75 3g8s h LYS 60 CO 0.71 0.90 -0.72 -1.21 -2.27 0.00 0.00 179.45 176.85 3g8s s GLU 61 N -4.85 2.49 0.30 1.90 0.41 -1.26 -5.02 118.70 112.67 3g8s s GLU 61 Ca -0.12 -0.75 0.01 0.00 -0.41 0.00 0.00 54.97 53.70 3g8s s GLU 61 Cb 0.10 -2.45 0.47 0.00 -1.78 0.00 0.00 34.13 30.48 3g8s s GLU 61 CO 0.82 0.60 1.82 0.28 -0.49 0.00 0.00 175.26 178.28 3g8s h VAL 62 N 3.86 1.22 -0.93 2.63 2.07 -1.86 -2.67 116.25 120.57 3g8s h VAL 62 Ca -0.48 -0.90 0.19 0.00 0.82 0.00 0.00 66.70 66.33 3g8s h VAL 62 Cb 1.16 0.92 -0.11 0.00 -1.52 0.00 0.00 31.29 31.74 3g8s h VAL 62 CO 0.52 0.31 0.50 -1.28 0.02 0.00 0.00 177.57 177.65 3g8s h SER 63 N 0.61 0.57 0.26 0.57 0.87 -1.95 0.66 113.55 115.15 3g8s h SER 63 Ca 0.13 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 3g8s h SER 63 Cb 0.39 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3g8s h SER 63 CO 0.01 0.16 -0.51 0.28 -0.53 0.00 0.00 176.83 176.25 3g8s h SER 64 N 0.60 0.31 -0.13 6.23 0.02 -1.69 -2.72 113.55 116.17 3g8s h SER 64 Ca 0.55 -0.15 -0.22 0.00 -0.84 0.00 0.00 61.79 61.13 3g8s h SER 64 Cb 0.93 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.39 3g8s h SER 64 CO -0.43 0.77 -0.76 0.00 -1.14 0.00 0.00 176.83 175.27 3g8s h ALA 65 N 1.24 0.35 -0.67 3.77 0.00 -0.87 -1.80 119.26 121.28 3g8s h ALA 65 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3g8s h ALA 65 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3g8s h ALA 65 CO 0.08 0.69 0.21 1.15 0.00 0.00 0.00 179.25 181.38 3g8s h THR 66 N 0.53 1.25 -0.41 0.00 2.02 -0.98 -0.82 112.91 114.50 3g8s h THR 66 Ca -0.05 -0.86 -0.15 0.00 0.77 0.00 0.00 66.41 66.12 3g8s h THR 66 Cb 1.38 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3g8s h THR 66 CO 0.16 0.33 -0.33 0.78 0.37 0.00 0.00 175.52 176.83 3g8s h ASN 67 N 0.97 1.00 -0.60 4.18 2.35 -1.50 -1.86 115.58 120.12 3g8s h ASN 67 Ca 0.22 -0.43 -0.10 0.00 -0.55 0.00 0.00 56.30 55.43 3g8s h ASN 67 Cb 0.29 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3g8s h ASN 67 CO -0.01 1.23 -0.02 0.00 -1.65 0.00 0.00 177.43 176.98 3g8s h ALA 68 N 0.82 0.82 -0.05 -0.83 0.00 -1.20 -2.02 119.26 116.79 3g8s h ALA 68 Ca 0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3g8s h ALA 68 Cb 0.92 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3g8s h ALA 68 CO 0.09 0.68 0.01 1.25 0.00 0.00 0.00 179.25 181.28 3g8s h LEU 69 N 0.98 0.07 -0.77 0.00 6.46 -1.12 -1.88 115.31 119.05 3g8s h LEU 69 Ca 0.17 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 3g8s h LEU 69 Cb 0.59 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3g8s h LEU 69 CO 0.03 0.27 0.23 0.03 -0.62 0.00 0.00 178.44 178.39 3g8s h ARG 70 N -0.13 1.15 0.07 1.25 3.08 -1.29 -3.15 114.38 115.37 3g8s h ARG 70 Ca 0.02 -0.25 -0.22 0.00 0.07 0.00 0.00 59.98 59.60 3g8s h ARG 70 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3g8s h ARG 70 CO -0.00 0.98 -1.15 0.77 -1.07 0.00 0.00 179.97 179.50 3g8s h SER 71 N 1.10 0.23 -0.09 7.04 0.02 -1.41 -3.37 113.55 117.07 3g8s h SER 71 Ca 0.24 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3g8s h SER 71 Cb 0.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3g8s h SER 71 CO -0.01 1.49 0.00 0.23 -1.14 0.00 0.00 176.83 177.40 3g8s n MET 72 N -4.16 1.41 -1.90 3.45 2.81 -0.71 -4.83 117.12 113.20 3g8s n MET 72 Ca -0.24 -0.62 -0.42 0.00 -1.81 0.00 0.00 57.70 54.61 3g8s n MET 72 Cb 0.78 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 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 -1.88 4.18 0.00 0.03 2.00 -1.19 -2.48 119.66 120.33 3g8s s GLN 73 Ca 0.30 2.36 0.00 0.00 -2.00 0.00 0.00 55.36 56.02 3g8s s GLN 73 Cb 0.15 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 30.23 3g8s s GLN 73 CO 0.24 -0.79 0.00 0.41 -0.50 0.00 0.00 175.29 174.65 3g8s n GLY 74 N 4.10 0.87 3.68 2.59 0.00 0.49 -4.93 105.19 111.99 3g8s n GLY 74 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.51 2.18 -0.23 1.61 2.19 -1.03 -4.05 117.98 115.13 3g8s s PHE 75 Ca 0.00 0.13 -0.29 0.00 0.33 0.00 0.00 56.93 57.10 3g8s s PHE 75 Cb 0.00 -4.05 -0.03 0.00 -1.31 0.00 0.00 43.02 37.63 3g8s s PHE 75 CO 0.00 -4.32 1.69 -2.14 1.83 0.00 0.00 175.22 172.28 3g8s s PRO 76 N 3.01 3.69 -0.18 10.12 0.02 -1.26 -0.88 135.00 149.51 3g8s s PRO 76 Ca 0.77 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 3g8s s PRO 76 Cb -0.41 -4.09 0.06 0.00 0.02 0.00 0.00 34.50 30.08 3g8s s PRO 76 CO 0.34 -1.43 0.02 0.12 -0.33 0.00 0.00 177.00 175.73 3g8s s PHE 77 N 5.63 1.12 -1.18 6.54 5.36 0.28 -4.77 117.98 130.98 3g8s s PHE 77 Ca 0.75 -0.87 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 3g8s s PHE 77 Cb -0.25 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 3g8s s PHE 77 CO 0.31 -0.60 0.99 0.66 -1.46 0.00 0.00 175.22 175.12 3g8s n TYR 78 N 5.02 -2.20 -1.14 10.12 4.01 -1.26 -2.82 117.16 128.90 3g8s n TYR 78 Ca -0.09 0.92 -0.05 0.00 -0.16 0.00 0.00 57.90 58.52 3g8s n TYR 78 Cb 0.47 -4.98 -0.02 0.00 -0.31 0.00 0.00 39.34 34.50 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 -3.04 -4.54 -3.79 7.72 9.92 -1.26 -4.71 116.55 116.85 3g8s n ASP 79 Ca -0.25 0.12 -0.14 0.00 -0.53 0.00 0.00 54.79 53.99 3g8s n ASP 79 Cb 0.65 -2.46 -0.15 0.00 -0.64 0.00 0.00 41.12 38.52 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 -1.87 -0.01 0.24 -1.24 1.02 -1.13 -5.09 119.74 111.66 3g8s s LYS 80 Ca 0.00 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 3g8s s LYS 80 Cb 0.00 -0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 37.04 3g8s s LYS 80 CO 0.00 -0.13 1.29 -1.25 -0.92 0.00 0.00 175.35 174.34 3g8s s PRO 81 N 0.84 4.40 0.33 -1.68 0.04 -1.26 0.10 135.00 137.78 3g8s s PRO 81 Ca -0.07 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 3g8s s PRO 81 Cb -0.10 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 3g8s s PRO 81 CO -0.03 -0.19 0.93 -1.64 0.04 0.00 0.00 177.00 176.11 3g8s s MET 82 N -0.67 4.53 -0.22 4.56 -1.94 -0.06 -4.76 119.30 120.75 3g8s s MET 82 Ca 0.54 1.28 0.02 0.00 -1.71 0.00 0.00 55.69 55.82 3g8s s MET 82 Cb -0.37 -2.75 0.04 0.00 2.01 0.00 0.00 34.83 33.76 3g8s s MET 82 CO 0.42 0.26 -0.16 0.50 -0.01 0.00 0.00 175.02 176.03 3g8s s ARG 83 N -2.15 2.65 -0.10 2.03 3.52 -0.82 -0.38 118.95 123.70 3g8s s ARG 83 Ca 0.51 -1.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3g8s s ARG 83 Cb -0.18 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 3g8s s ARG 83 CO 0.23 -0.37 -0.21 0.42 -0.81 0.00 0.00 175.30 174.55 3g8s s ILE 84 N 1.20 1.83 0.43 4.11 1.01 -1.26 -0.43 121.20 128.09 3g8s s ILE 84 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3g8s s ILE 84 Cb -0.16 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3g8s s ILE 84 CO -0.09 0.51 0.06 -1.10 0.00 0.00 0.00 174.94 174.32 3g8s s GLN 85 N 0.49 1.98 0.48 2.79 -0.21 0.05 -4.99 119.66 120.23 3g8s s GLN 85 Ca -0.16 -2.20 -0.18 0.00 0.02 0.00 0.00 55.36 52.84 3g8s s GLN 85 Cb -0.17 -1.09 -0.09 0.00 1.00 0.00 0.00 33.01 32.66 3g8s s GLN 85 CO 0.06 -0.34 0.96 0.71 -2.12 0.00 0.00 175.29 174.56 3g8s s TYR 86 N -3.05 3.40 0.23 0.91 2.02 -1.26 -0.91 117.35 118.68 3g8s s TYR 86 Ca 0.21 1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 58.11 3g8s s TYR 86 Cb 0.04 -2.79 -0.09 0.00 -0.40 0.00 0.00 41.96 38.72 3g8s s TYR 86 CO 0.11 -0.26 1.35 0.00 -1.57 0.00 0.00 175.55 175.18 3g8s s ALA 87 N -2.44 3.55 0.36 3.71 0.00 -0.56 -4.47 121.76 121.91 3g8s s ALA 87 Ca 0.60 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.79 3g8s s ALA 87 Cb -0.10 -3.50 0.71 0.00 0.00 0.00 0.00 23.12 20.23 3g8s s ALA 87 CO 0.25 -0.60 1.99 0.87 0.00 0.00 0.00 175.76 178.26 3g8s h LYS 88 N 5.07 0.76 -5.05 0.00 6.56 -1.95 -3.44 116.57 118.53 3g8s h LYS 88 Ca -0.45 -0.05 -0.35 0.00 -1.06 0.00 0.00 60.65 58.74 3g8s h LYS 88 Cb 1.22 -0.17 -0.14 0.00 -0.57 0.00 0.00 32.23 32.56 3g8s h LYS 88 CO 0.76 0.50 -0.68 0.95 -2.06 0.00 0.00 179.45 178.92 3g8s s THR 89 N -5.68 1.05 0.45 -0.16 -4.23 -1.26 -5.01 115.64 100.80 3g8s s THR 89 Ca -0.10 -2.04 -0.22 0.00 -1.18 0.00 0.00 61.69 58.15 3g8s s THR 89 Cb 0.18 -2.12 -0.09 0.00 1.34 0.00 0.00 72.50 71.82 3g8s s THR 89 CO 0.77 -0.51 1.05 -1.81 -0.54 0.00 0.00 174.62 173.57 3g8s s ASP 90 N -3.23 6.51 0.80 3.99 1.01 -1.26 -4.93 116.67 119.55 3g8s s ASP 90 Ca 0.23 2.00 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 3g8s s ASP 90 Cb 0.04 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.47 3g8s s ASP 90 CO 0.05 -0.66 1.09 -0.44 0.21 0.00 0.00 175.17 175.42 3g8s s SER 91 N -1.76 4.46 0.18 0.27 0.01 -1.26 -4.83 113.70 110.77 3g8s s SER 91 Ca 0.63 1.36 -0.13 0.00 1.31 0.00 0.00 55.95 59.12 3g8s s SER 91 Cb -0.20 -2.10 0.11 0.00 0.21 0.00 0.00 66.02 64.05 3g8s s SER 91 CO 0.24 -2.00 1.84 0.44 0.41 0.00 0.00 173.24 174.17 3g8s h ASP 92 N -1.11 0.62 0.31 2.44 3.32 -1.98 -0.94 116.42 119.08 3g8s h ASP 92 Ca -0.47 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 3g8s h ASP 92 Cb 1.26 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3g8s h ASP 92 CO 0.58 0.44 -0.15 -0.29 -1.72 0.00 0.00 179.24 178.10 3g8s h ILE 93 N 0.74 0.77 0.00 0.35 2.10 -1.94 0.08 117.51 119.62 3g8s h ILE 93 Ca 0.22 -0.60 -0.13 0.00 1.08 0.00 0.00 64.86 65.43 3g8s h ILE 93 Cb -0.04 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 3g8s h ILE 93 CO -0.07 0.15 -0.80 0.40 -1.08 0.00 0.00 178.15 176.75 3g8s h ILE 94 N 0.00 0.88 -0.51 2.19 1.08 -1.87 -3.37 117.51 115.91 3g8s h ILE 94 Ca -0.00 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.50 3g8s h ILE 94 Cb 0.35 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 3g8s h ILE 94 CO 0.02 0.30 0.21 0.00 -0.69 0.00 0.00 178.15 177.99 3g8s h ALA 95 N -0.51 1.41 -0.01 1.87 0.00 -1.16 -3.49 119.26 117.37 3g8s h ALA 95 Ca -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3g8s h ALA 95 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3g8s h ALA 95 CO -0.12 0.45 0.00 0.36 0.00 0.00 0.00 179.25 179.94