#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mv9 s ILE 1 N 0.00 3.05 0.08 3.17 -1.09 -1.26 -4.89 121.20 120.27 3mv9 s ILE 1 Ca 0.00 -0.07 -0.22 0.00 -2.23 0.00 0.00 60.65 58.12 3mv9 s ILE 1 Cb 0.00 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 3mv9 s ILE 1 CO 0.00 -0.09 0.67 -1.10 -1.23 0.00 0.00 174.94 173.18 3mv9 s GLN 2 N 8.50 4.38 0.24 2.79 -0.21 -1.26 -4.97 119.66 129.14 3mv9 s GLN 2 Ca 0.84 0.92 0.09 0.00 0.02 0.00 0.00 55.36 57.23 3mv9 s GLN 2 Cb -0.07 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 3mv9 s GLN 2 CO 0.15 0.51 0.02 1.03 -2.12 0.00 0.00 175.29 174.88 3mv9 s ARG 3 N -0.78 2.38 -0.09 2.91 0.52 -1.11 -4.94 118.95 117.84 3mv9 s ARG 3 Ca 0.33 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.22 3mv9 s ARG 3 Cb -0.21 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 3mv9 s ARG 3 CO 0.22 0.39 -0.01 -0.08 0.02 0.00 0.00 175.30 175.83 3mv9 s THR 4 N -2.16 4.17 0.51 0.02 -1.32 -1.26 -2.11 115.64 113.48 3mv9 s THR 4 Ca 0.30 -0.30 -0.23 0.00 -1.21 0.00 0.00 61.69 60.25 3mv9 s THR 4 Cb -0.07 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 68.10 3mv9 s THR 4 CO 0.20 0.59 1.40 -2.84 -2.21 0.00 0.00 174.62 171.76 3mv9 s PRO 5 N -0.74 3.36 -0.02 7.08 0.02 -1.26 -4.41 135.00 139.03 3mv9 s PRO 5 Ca 0.11 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.51 3mv9 s PRO 5 Cb -0.11 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 31.95 3mv9 s PRO 5 CO 0.02 -1.05 -0.15 0.15 -0.33 0.00 0.00 177.00 175.64 3mv9 s LYS 6 N -2.72 2.38 -0.01 5.54 -0.14 0.16 -4.92 119.74 120.03 3mv9 s LYS 6 Ca 0.67 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 54.54 3mv9 s LYS 6 Cb -0.42 -2.32 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 3mv9 s LYS 6 CO 0.52 0.60 -0.13 0.42 -0.76 0.00 0.00 175.35 175.99 3mv9 s ILE 7 N -0.79 1.06 -0.05 2.17 1.01 -1.26 -1.19 121.20 122.15 3mv9 s ILE 7 Ca 0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 3mv9 s ILE 7 Cb -0.11 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3mv9 s ILE 7 CO 0.02 0.30 0.02 -1.10 0.00 0.00 0.00 174.94 174.18 3mv9 s GLN 8 N -0.30 0.34 -0.14 2.79 -0.21 -1.14 -4.97 119.66 116.02 3mv9 s GLN 8 Ca 0.05 0.18 -0.11 0.00 0.02 0.00 0.00 55.36 55.50 3mv9 s GLN 8 Cb -0.05 -0.72 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 3mv9 s GLN 8 CO -0.00 -0.27 0.23 0.14 -2.12 0.00 0.00 175.29 173.26 3mv9 s VAL 9 N 1.80 5.35 0.09 1.09 -7.23 -1.26 -2.02 120.40 118.22 3mv9 s VAL 9 Ca 0.01 0.41 -0.27 0.00 -1.81 0.00 0.00 61.98 60.33 3mv9 s VAL 9 Cb -0.12 -3.54 0.09 0.00 0.56 0.00 0.00 36.38 33.36 3mv9 s VAL 9 CO -0.04 0.49 1.11 -0.72 -0.31 0.00 0.00 175.10 175.63 3mv9 s TYR 10 N -0.14 -0.05 0.10 2.82 -0.85 -0.91 -4.73 117.35 113.58 3mv9 s TYR 10 Ca 0.15 -0.19 0.05 0.00 -0.52 0.00 0.00 57.07 56.56 3mv9 s TYR 10 Cb -0.13 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3mv9 s TYR 10 CO 0.04 -0.62 -0.00 -1.54 -1.52 0.00 0.00 175.55 171.91 3mv9 s SER 11 N -3.11 5.00 0.35 -0.18 1.04 -1.26 0.21 113.70 115.75 3mv9 s SER 11 Ca 0.16 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.47 3mv9 s SER 11 Cb 0.01 -1.18 0.66 0.00 0.10 0.00 0.00 66.02 65.61 3mv9 s SER 11 CO 0.01 0.17 1.85 -0.09 0.98 0.00 0.00 173.24 176.16 3mv9 h ARG 12 N 3.40 0.31 -5.56 4.02 2.43 -1.63 -3.43 114.38 113.92 3mv9 h ARG 12 Ca -0.48 -0.08 -0.45 0.00 -0.81 0.00 0.00 59.98 58.16 3mv9 h ARG 12 Cb 1.17 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.54 3mv9 h ARG 12 CO 0.59 0.48 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.79 3mv9 s HIS 13 N -4.64 1.70 0.16 2.20 3.76 -1.26 -5.05 115.29 112.16 3mv9 s HIS 13 Ca -0.06 -0.58 -0.33 0.00 -0.15 0.00 0.00 55.06 53.95 3mv9 s HIS 13 Cb 0.15 -0.79 -0.16 0.00 1.11 0.00 0.00 32.58 32.88 3mv9 s HIS 13 CO 0.75 0.35 1.04 -2.30 -0.85 0.00 0.00 174.74 173.73 3mv9 n PRO 14 N -0.35 0.84 -1.72 8.40 -0.02 -1.26 -4.75 135.00 136.14 3mv9 n PRO 14 Ca -0.08 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.27 3mv9 n PRO 14 Cb 0.60 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3mv9 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mv9 s ALA 15 N -0.35 3.13 -0.03 3.55 0.00 -1.26 -4.98 121.76 121.82 3mv9 s ALA 15 Ca 0.73 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 53.61 3mv9 s ALA 15 Cb -0.91 -3.95 0.03 0.00 0.00 0.00 0.00 23.12 18.28 3mv9 s ALA 15 CO 0.54 -2.21 0.03 -2.00 0.00 0.00 0.00 175.76 172.12 3mv9 s GLU 16 N 5.38 0.03 0.16 0.00 2.12 -1.26 -5.07 118.70 120.05 3mv9 s GLU 16 Ca 0.91 0.19 -0.15 0.00 0.36 0.00 0.00 54.97 56.28 3mv9 s GLU 16 Cb -0.35 -0.34 0.08 0.00 0.26 0.00 0.00 34.13 33.78 3mv9 s GLU 16 CO 0.37 -0.19 1.76 -0.91 -0.54 0.00 0.00 175.26 175.75 3mv9 h ASN 17 N 7.46 0.19 -0.69 -1.70 4.21 -1.94 -3.28 115.58 119.83 3mv9 h ASN 17 Ca -0.40 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.13 3mv9 h ASN 17 Cb 1.12 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 38.30 3mv9 h ASN 17 CO 0.43 0.15 0.38 1.23 -1.29 0.00 0.00 177.43 178.33 3mv9 h GLY 18 N 0.33 1.03 -3.73 2.83 0.00 -1.98 -3.39 103.07 98.16 3mv9 h GLY 18 Ca 0.18 -0.46 -0.57 0.00 0.00 0.00 0.00 47.33 46.47 3mv9 h GLY 18 CO -0.16 0.44 -0.57 1.25 0.00 0.00 0.00 176.54 177.50 3mv9 s LYS 19 N -5.86 2.86 0.42 4.80 2.47 -1.24 -5.04 119.74 118.16 3mv9 s LYS 19 Ca -0.13 -0.90 -0.24 0.00 -1.56 0.00 0.00 55.97 53.15 3mv9 s LYS 19 Cb 0.14 -2.62 -0.08 0.00 -1.46 0.00 0.00 37.83 33.81 3mv9 s LYS 19 CO 0.79 0.48 1.12 0.45 0.16 0.00 0.00 175.35 178.35 3mv9 s SER 20 N -3.12 6.47 0.00 1.43 0.15 -1.26 -4.72 113.70 112.64 3mv9 s SER 20 Ca 0.31 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.17 3mv9 s SER 20 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3mv9 s SER 20 CO 0.23 -0.70 0.00 -3.20 1.20 0.00 0.00 173.24 170.77 3mv9 n ASN 21 N -0.21 0.00 -4.12 5.45 5.15 -0.75 -5.03 115.26 115.75 3mv9 n ASN 21 Ca 0.06 -0.97 -0.27 0.00 -0.60 0.00 0.00 54.58 52.79 3mv9 n ASN 21 Cb 0.48 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.57 3mv9 n ASN 21 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3mv9 s PHE 22 N -5.03 1.87 -0.26 1.20 2.99 -1.26 -1.24 117.98 116.25 3mv9 s PHE 22 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 56.93 56.09 3mv9 s PHE 22 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 43.02 41.70 3mv9 s PHE 22 CO 0.00 -0.28 0.47 -1.17 -0.00 0.00 0.00 175.22 174.24 3mv9 s LEU 23 N 0.36 4.06 -0.13 -0.37 2.96 -1.12 -1.41 118.68 123.04 3mv9 s LEU 23 Ca -0.12 0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 3mv9 s LEU 23 Cb -0.15 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 3mv9 s LEU 23 CO 0.05 -0.24 0.00 0.20 -1.32 0.00 0.00 176.35 175.04 3mv9 s ASN 24 N 1.51 5.20 -0.28 3.68 0.02 0.13 -3.49 114.94 121.71 3mv9 s ASN 24 Ca 0.20 0.05 -0.01 0.00 -1.02 0.00 0.00 52.86 52.09 3mv9 s ASN 24 Cb -0.16 -1.67 0.05 0.00 0.02 0.00 0.00 41.25 39.49 3mv9 s ASN 24 CO 0.09 0.28 -0.03 0.00 0.02 0.00 0.00 177.10 177.45 3mv9 s TYR 26 N 1.22 3.44 -0.17 0.00 5.04 -0.86 -1.88 117.35 124.14 3mv9 s TYR 26 Ca -0.06 -1.68 -0.18 0.00 -2.44 0.00 0.00 57.07 52.72 3mv9 s TYR 26 Cb -0.19 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.36 3mv9 s TYR 26 CO -0.02 -1.00 0.48 0.14 -1.34 0.00 0.00 175.55 173.81 3mv9 s VAL 27 N 1.06 5.15 0.12 3.14 -7.23 -0.18 -2.90 120.40 119.56 3mv9 s VAL 27 Ca 0.08 0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 61.03 3mv9 s VAL 27 Cb -0.23 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 32.92 3mv9 s VAL 27 CO -0.01 0.24 0.31 -0.94 -0.31 0.00 0.00 175.10 174.39 3mv9 s SER 28 N 0.95 -0.07 0.00 4.85 1.04 -0.33 0.18 113.70 120.31 3mv9 s SER 28 Ca 0.24 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3mv9 s SER 28 Cb -0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3mv9 s SER 28 CO 0.09 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3mv9 n GLY 29 N -0.17 0.72 3.54 7.32 0.00 -0.36 0.39 105.19 116.63 3mv9 n GLY 29 Ca -0.14 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3mv9 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mv9 s PHE 30 N -2.00 2.48 -0.17 1.61 -0.12 -1.22 -4.09 117.98 114.47 3mv9 s PHE 30 Ca 0.00 -0.28 -0.14 0.00 -0.05 0.00 0.00 56.93 56.46 3mv9 s PHE 30 Cb 0.00 -1.13 0.05 0.00 -0.63 0.00 0.00 43.02 41.31 3mv9 s PHE 30 CO 0.00 0.62 0.44 -1.58 -0.05 0.00 0.00 175.22 174.65 3mv9 s HIS 31 N -2.18 -0.53 0.00 3.49 2.46 -0.90 -2.04 115.29 115.59 3mv9 s HIS 31 Ca 0.28 1.24 0.00 0.00 0.47 0.00 0.00 55.06 57.05 3mv9 s HIS 31 Cb -0.07 0.20 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 3mv9 s HIS 31 CO 0.16 -0.27 0.00 -2.30 -2.47 0.00 0.00 174.74 169.86 3mv9 n PRO 32 N 3.24 0.25 0.24 2.88 -0.02 -1.26 -2.76 135.00 137.56 3mv9 n PRO 32 Ca -0.16 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.44 3mv9 n PRO 32 Cb 0.57 0.00 0.44 0.00 -0.02 0.00 0.00 33.50 34.49 3mv9 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3mv9 h SER 33 N 0.00 0.00 -2.24 2.55 4.64 -2.00 -3.44 113.55 113.06 3mv9 h SER 33 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3mv9 h SER 33 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3mv9 h SER 33 CO 0.00 0.12 1.34 -1.81 -0.87 0.00 0.00 176.83 175.60 3mv9 s ASP 34 N -6.04 6.01 0.00 4.97 1.11 -1.26 -4.85 116.67 116.61 3mv9 s ASP 34 Ca 0.02 2.24 0.00 0.00 0.18 0.00 0.00 52.55 55.00 3mv9 s ASP 34 Cb 0.08 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.55 3mv9 s ASP 34 CO 0.62 -1.46 0.00 0.00 1.18 0.00 0.00 175.17 175.51 3mv9 n ILE 35 N 6.57 0.00 -1.00 0.77 0.13 -1.26 -4.40 119.36 120.17 3mv9 n ILE 35 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.89 3mv9 n ILE 35 Cb 0.43 -0.27 0.00 0.00 -0.84 0.00 0.00 39.64 38.96 3mv9 n ILE 35 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3mv9 n GLU 36 N -0.60 0.00 -3.80 9.51 -0.58 -1.26 -3.64 120.64 120.27 3mv9 n GLU 36 Ca 0.00 0.49 -0.13 0.00 -0.42 0.00 0.00 57.16 57.10 3mv9 n GLU 36 Cb 0.00 -0.51 -0.14 0.00 -0.57 0.00 0.00 31.44 30.23 3mv9 n GLU 36 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mv9 s VAL 37 N 0.00 -0.02 0.12 2.62 1.01 -1.26 -1.85 120.40 121.02 3mv9 s VAL 37 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3mv9 s VAL 37 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 3mv9 s VAL 37 CO 0.00 0.03 -0.13 -1.81 0.00 0.00 0.00 175.10 173.20 3mv9 s ASP 38 N 0.51 1.84 -0.64 3.32 1.01 0.27 -4.99 116.67 117.99 3mv9 s ASP 38 Ca -0.04 -0.84 0.06 0.00 0.71 0.00 0.00 52.55 52.44 3mv9 s ASP 38 Cb -0.05 -0.04 0.26 0.00 1.01 0.00 0.00 42.92 44.09 3mv9 s ASP 38 CO -0.02 -0.20 0.77 0.18 0.21 0.00 0.00 175.17 176.12 3mv9 n LEU 39 N 0.44 3.86 -4.63 1.23 4.32 -1.26 0.12 117.00 121.08 3mv9 n LEU 39 Ca -0.15 -5.47 -0.30 0.00 -0.02 0.00 0.00 56.01 50.07 3mv9 n LEU 39 Cb 0.58 -0.66 0.18 0.00 -1.62 0.00 0.00 43.42 41.90 3mv9 n LEU 39 CO 0.28 2.09 0.63 -1.48 -1.22 0.00 0.00 177.39 177.69 3mv9 s LEU 40 N -2.58 2.24 -0.62 2.23 2.34 -0.85 -4.54 118.68 116.91 3mv9 s LEU 40 Ca 0.41 1.93 0.01 0.00 0.06 0.00 0.00 54.13 56.54 3mv9 s LEU 40 Cb 0.16 -4.20 0.42 0.00 -0.56 0.00 0.00 46.19 42.01 3mv9 s LEU 40 CO -0.02 -3.33 1.73 0.29 -1.06 0.00 0.00 176.35 173.96 3mv9 n LYS 41 N -4.37 3.00 0.00 1.48 5.02 -1.17 -2.57 118.16 119.55 3mv9 n LYS 41 Ca 0.09 -3.71 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 3mv9 n LYS 41 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 3mv9 n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mv9 n ASN 42 N -0.70 0.00 -0.41 4.39 4.05 -1.22 -4.71 115.26 116.66 3mv9 n ASN 42 Ca 0.53 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.56 3mv9 n ASN 42 Cb 0.59 -0.01 0.01 0.00 1.23 0.00 0.00 39.78 41.60 3mv9 n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3mv9 n GLY 43 N -0.07 0.85 3.09 8.20 0.00 -1.26 -4.85 105.19 111.14 3mv9 n GLY 43 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3mv9 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mv9 n GLU 44 N -0.11 -0.91 -4.41 1.61 2.13 -1.26 -4.94 120.64 112.75 3mv9 n GLU 44 Ca 0.01 0.23 -0.21 0.00 0.66 0.00 0.00 57.16 57.85 3mv9 n GLU 44 Cb 0.21 -4.26 -0.10 0.00 0.27 0.00 0.00 31.44 27.56 3mv9 n GLU 44 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3mv9 s ARG 45 N -1.18 1.51 0.00 5.31 0.52 -1.26 -4.80 118.95 119.05 3mv9 s ARG 45 Ca 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 3mv9 s ARG 45 Cb 0.00 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 34.16 3mv9 s ARG 45 CO 0.00 0.16 0.00 1.51 0.02 0.00 0.00 175.30 176.99 3mv9 n ILE 46 N -0.53 0.00 -0.94 1.52 0.13 -1.26 -3.06 119.36 115.22 3mv9 n ILE 46 Ca -0.06 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.29 3mv9 n ILE 46 Cb 0.62 0.00 0.23 0.00 -0.84 0.00 0.00 39.64 39.65 3mv9 n ILE 46 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 3mv9 s GLU 47 N 0.00 -1.07 -1.45 9.51 2.56 -1.26 -3.59 118.70 123.40 3mv9 s GLU 47 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 54.97 55.07 3mv9 s GLU 47 Cb 0.00 -1.59 0.05 0.00 2.00 0.00 0.00 34.13 34.59 3mv9 s GLU 47 CO 0.00 -3.67 0.73 1.63 -0.56 0.00 0.00 175.26 173.39 3mv9 n LYS 48 N -4.77 -4.84 -3.32 4.30 4.76 -1.26 -4.96 118.16 108.07 3mv9 n LYS 48 Ca 0.10 0.67 -0.39 0.00 -2.87 0.00 0.00 58.31 55.81 3mv9 n LYS 48 Cb 0.59 -5.50 -0.08 0.00 -1.84 0.00 0.00 35.03 28.19 3mv9 n LYS 48 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3mv9 s VAL 49 N -3.14 5.13 0.66 -0.18 0.11 -1.24 -4.84 120.40 116.91 3mv9 s VAL 49 Ca 0.47 0.77 0.02 0.00 -2.93 0.00 0.00 61.98 60.31 3mv9 s VAL 49 Cb -0.23 -3.77 0.11 0.00 -1.53 0.00 0.00 36.38 30.96 3mv9 s VAL 49 CO 0.58 0.16 0.92 -1.61 -3.33 0.00 0.00 175.10 171.81 3mv9 s GLU 50 N 1.88 1.93 -0.11 1.54 0.41 0.52 -4.88 118.70 119.98 3mv9 s GLU 50 Ca 0.20 -1.22 -0.31 0.00 -0.41 0.00 0.00 54.97 53.23 3mv9 s GLU 50 Cb -0.15 -2.43 0.12 0.00 -1.78 0.00 0.00 34.13 29.89 3mv9 s GLU 50 CO 0.09 -1.22 1.02 -3.38 -0.49 0.00 0.00 175.26 171.28 3mv9 s HIS 51 N -2.98 -0.30 0.46 1.61 -3.43 -1.26 -1.13 115.29 108.27 3mv9 s HIS 51 Ca 0.64 0.33 -0.08 0.00 -0.80 0.00 0.00 55.06 55.15 3mv9 s HIS 51 Cb -0.06 0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 31.54 3mv9 s HIS 51 CO 0.42 -0.37 0.81 -1.54 -2.00 0.00 0.00 174.74 172.05 3mv9 s SER 52 N -1.84 6.37 0.60 7.38 1.04 -0.90 -5.02 113.70 121.34 3mv9 s SER 52 Ca 0.04 1.07 -0.18 0.00 0.48 0.00 0.00 55.95 57.35 3mv9 s SER 52 Cb -0.01 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 3mv9 s SER 52 CO -0.04 -0.53 1.18 -1.81 0.98 0.00 0.00 173.24 173.02 3mv9 s ASP 53 N -3.70 5.22 0.29 7.02 1.01 -1.26 -4.53 116.67 120.72 3mv9 s ASP 53 Ca 0.50 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.77 3mv9 s ASP 53 Cb -0.10 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.12 3mv9 s ASP 53 CO 0.40 -1.57 1.60 -0.11 0.21 0.00 0.00 175.17 175.71 3mv9 n LEU 54 N -1.68 4.40 0.00 1.23 7.94 -1.26 -4.92 117.00 122.71 3mv9 n LEU 54 Ca 0.13 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 3mv9 n LEU 54 Cb 0.50 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.85 3mv9 n LEU 54 CO 0.44 0.17 0.00 -1.54 -1.11 0.00 0.00 177.39 175.36 3mv9 n SER 55 N 2.17 0.00 -3.69 1.96 3.41 -1.24 -5.06 113.62 111.17 3mv9 n SER 55 Ca 0.08 -0.94 -0.14 0.00 -0.26 0.00 0.00 58.87 57.61 3mv9 n SER 55 Cb 0.37 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 3mv9 n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mv9 s PHE 56 N -4.09 -0.42 0.79 7.33 -0.12 -1.26 -2.64 117.98 117.56 3mv9 s PHE 56 Ca 0.00 0.88 -0.04 0.00 -0.05 0.00 0.00 56.93 57.71 3mv9 s PHE 56 Cb 0.00 0.19 0.15 0.00 -0.63 0.00 0.00 43.02 42.74 3mv9 s PHE 56 CO 0.00 -0.37 1.09 -1.12 -0.05 0.00 0.00 175.22 174.76 3mv9 s SER 57 N -0.61 3.97 0.65 1.98 0.01 -0.35 -4.87 113.70 114.48 3mv9 s SER 57 Ca -0.07 -0.26 0.27 0.00 1.31 0.00 0.00 55.95 57.20 3mv9 s SER 57 Cb -0.03 -0.00 1.47 0.00 0.21 0.00 0.00 66.02 67.66 3mv9 s SER 57 CO 0.04 -2.13 1.82 0.11 0.41 0.00 0.00 173.24 173.49 3mv9 h LYS 58 N -0.84 0.00 -0.50 12.44 1.57 -2.02 0.10 116.57 127.32 3mv9 h LYS 58 Ca -0.38 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 3mv9 h LYS 58 Cb 1.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 3mv9 h LYS 58 CO 0.38 0.00 0.09 -0.40 -0.57 0.00 0.00 179.45 178.95 3mv9 n ASP 59 N -2.82 4.44 0.00 0.86 5.75 -1.26 -4.92 116.55 118.60 3mv9 n ASP 59 Ca -0.02 -3.16 0.00 0.00 -0.01 0.00 0.00 54.79 51.60 3mv9 n ASP 59 Cb 0.42 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3mv9 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3mv9 n TRP 60 N -0.24 0.00 -3.41 2.11 7.02 0.36 -4.97 117.44 118.32 3mv9 n TRP 60 Ca 0.31 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.41 3mv9 n TRP 60 Cb 1.15 -1.21 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 3mv9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3mv9 s SER 61 N -2.13 6.73 0.88 -0.99 1.04 -1.26 -4.75 113.70 113.23 3mv9 s SER 61 Ca 0.00 0.87 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 3mv9 s SER 61 Cb 0.00 -2.27 0.12 0.00 0.10 0.00 0.00 66.02 63.97 3mv9 s SER 61 CO 0.00 0.15 1.09 -0.36 0.98 0.00 0.00 173.24 175.11 3mv9 s PHE 62 N -0.16 2.41 -0.27 5.02 0.08 -0.86 -1.21 117.98 122.98 3mv9 s PHE 62 Ca 0.24 1.22 -0.25 0.00 0.12 0.00 0.00 56.93 58.26 3mv9 s PHE 62 Cb -0.16 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.24 3mv9 s PHE 62 CO 0.11 -2.29 0.96 1.52 -0.10 0.00 0.00 175.22 175.42 3mv9 s TYR 63 N -2.99 -0.55 0.21 0.36 -0.85 -1.08 -1.22 117.35 111.24 3mv9 s TYR 63 Ca 0.63 1.32 -0.22 0.00 -0.52 0.00 0.00 57.07 58.28 3mv9 s TYR 63 Cb -0.17 0.34 0.06 0.00 0.38 0.00 0.00 41.96 42.57 3mv9 s TYR 63 CO 0.56 -0.27 0.94 -0.48 -1.52 0.00 0.00 175.55 174.78 3mv9 s LEU 64 N 0.22 -0.10 -0.02 -3.49 2.34 0.13 -3.66 118.68 114.10 3mv9 s LEU 64 Ca 0.02 -0.63 0.02 0.00 0.06 0.00 0.00 54.13 53.61 3mv9 s LEU 64 Cb -0.05 2.29 0.00 0.00 -0.56 0.00 0.00 46.19 47.88 3mv9 s LEU 64 CO -0.04 -1.09 -0.07 -0.22 -1.06 0.00 0.00 176.35 173.87 3mv9 s LEU 65 N -3.11 1.80 0.18 1.48 0.20 -1.26 -1.01 118.68 116.96 3mv9 s LEU 65 Ca 0.16 -0.14 0.07 0.00 0.69 0.00 0.00 54.13 54.91 3mv9 s LEU 65 Cb -0.03 -0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 45.28 3mv9 s LEU 65 CO 0.05 0.05 0.03 -0.31 -0.29 0.00 0.00 176.35 175.88 3mv9 s TYR 66 N 0.17 2.90 0.17 5.38 2.02 -0.79 -2.12 117.35 125.09 3mv9 s TYR 66 Ca -0.02 -0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 56.33 3mv9 s TYR 66 Cb -0.07 -1.39 0.06 0.00 -0.40 0.00 0.00 41.96 40.16 3mv9 s TYR 66 CO -0.00 0.52 0.74 1.52 -1.57 0.00 0.00 175.55 176.77 3mv9 s TYR 67 N -1.78 -0.33 0.22 2.71 -0.85 -0.29 -1.47 117.35 115.57 3mv9 s TYR 67 Ca 0.28 0.03 -0.14 0.00 -0.52 0.00 0.00 57.07 56.73 3mv9 s TYR 67 Cb -0.09 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3mv9 s TYR 67 CO 0.20 -0.92 0.47 -0.08 -1.52 0.00 0.00 175.55 173.69 3mv9 s THR 68 N -3.63 0.02 -0.96 -3.49 -1.32 -1.23 -0.36 115.64 104.68 3mv9 s THR 68 Ca 0.07 -1.23 -0.14 0.00 -1.21 0.00 0.00 61.69 59.18 3mv9 s THR 68 Cb -0.03 -1.97 0.21 0.00 -1.51 0.00 0.00 72.50 69.20 3mv9 s THR 68 CO -0.03 -0.08 1.01 -1.61 -2.21 0.00 0.00 174.62 171.69 3mv9 s GLU 69 N -3.97 3.79 0.30 7.08 2.02 -1.26 -2.79 118.70 123.87 3mv9 s GLU 69 Ca 0.18 -2.47 0.06 0.00 0.02 0.00 0.00 54.97 52.76 3mv9 s GLU 69 Cb -0.00 -4.65 -0.02 0.00 0.10 0.00 0.00 34.13 29.55 3mv9 s GLU 69 CO 0.04 -1.45 0.38 -0.59 0.02 0.00 0.00 175.26 173.66 3mv9 s PHE 70 N 0.63 3.18 -0.07 1.61 -0.00 -0.38 -4.88 117.98 118.08 3mv9 s PHE 70 Ca 0.27 -0.16 0.02 0.00 -0.00 0.00 0.00 56.93 57.07 3mv9 s PHE 70 Cb -0.08 -1.76 0.01 0.00 -0.00 0.00 0.00 43.02 41.19 3mv9 s PHE 70 CO -0.08 0.22 -0.13 0.99 -0.00 0.00 0.00 175.22 176.23 3mv9 s THR 71 N -2.13 1.17 0.56 -4.49 2.01 -1.26 -1.80 115.64 109.69 3mv9 s THR 71 Ca 0.40 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.98 3mv9 s THR 71 Cb -0.09 -1.07 0.08 0.00 0.01 0.00 0.00 72.50 71.43 3mv9 s THR 71 CO 0.29 0.36 0.77 -2.16 -0.69 0.00 0.00 174.62 173.19 3mv9 s PRO 72 N 0.66 2.34 -0.28 4.92 0.05 -1.26 -5.04 135.00 136.39 3mv9 s PRO 72 Ca -0.15 -1.49 -0.37 0.00 0.05 0.00 0.00 61.00 59.05 3mv9 s PRO 72 Cb -0.16 -2.63 0.16 0.00 0.05 0.00 0.00 34.50 31.92 3mv9 s PRO 72 CO 0.04 -0.81 1.36 0.95 0.05 0.00 0.00 177.00 178.59 3mv9 s THR 73 N -2.66 0.00 0.47 1.26 -4.23 -1.26 -4.70 115.64 104.52 3mv9 s THR 73 Ca 0.61 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.38 3mv9 s THR 73 Cb -0.07 -1.00 0.45 0.00 1.34 0.00 0.00 72.50 73.22 3mv9 s THR 73 CO 0.38 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.97 3mv9 h GLU 74 N 2.01 0.20 -0.39 3.99 3.07 -2.01 1.22 114.58 122.67 3mv9 h GLU 74 Ca -0.04 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 3mv9 h GLU 74 Cb 1.14 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 3mv9 h GLU 74 CO 0.20 0.13 -0.02 0.87 -1.40 0.00 0.00 179.01 178.79 3mv9 h LYS 75 N 0.20 0.64 -6.67 2.33 1.57 -2.03 -3.44 116.57 109.16 3mv9 h LYS 75 Ca 0.51 -0.16 -0.50 0.00 -1.87 0.00 0.00 60.65 58.62 3mv9 h LYS 75 Cb 1.62 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 3mv9 h LYS 75 CO -0.12 0.67 0.30 -0.51 -0.57 0.00 0.00 179.45 179.22 3mv9 s ASP 76 N -6.70 7.56 -0.53 0.86 1.01 0.42 -5.03 116.67 114.26 3mv9 s ASP 76 Ca -0.08 1.85 0.04 0.00 0.71 0.00 0.00 52.55 55.07 3mv9 s ASP 76 Cb 0.15 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.67 3mv9 s ASP 76 CO 0.79 0.16 0.40 -0.70 0.21 0.00 0.00 175.17 176.03 3mv9 s GLU 77 N -1.08 1.55 0.68 8.23 2.12 -1.26 -4.65 118.70 124.29 3mv9 s GLU 77 Ca 0.40 -2.62 -0.11 0.00 0.36 0.00 0.00 54.97 53.00 3mv9 s GLU 77 Cb -0.25 -2.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.88 3mv9 s GLU 77 CO 0.30 -1.34 1.05 0.71 -0.54 0.00 0.00 175.26 175.44 3mv9 s TYR 78 N -0.56 3.28 -0.01 5.30 2.02 -1.26 -3.45 117.35 122.67 3mv9 s TYR 78 Ca 0.29 1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 58.03 3mv9 s TYR 78 Cb -0.00 -2.85 0.11 0.00 -0.40 0.00 0.00 41.96 38.82 3mv9 s TYR 78 CO -0.18 -1.08 1.17 0.00 -1.57 0.00 0.00 175.55 173.88 3mv9 s ALA 79 N -3.11 -2.04 -0.14 3.71 0.00 -1.06 -2.63 121.76 116.48 3mv9 s ALA 79 Ca 0.57 0.77 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3mv9 s ALA 79 Cb -0.13 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3mv9 s ALA 79 CO 0.54 -0.94 -0.18 0.00 0.00 0.00 0.00 175.76 175.19 3mv9 s ARG 81 N 1.13 3.96 -0.19 0.00 3.52 0.32 -2.28 118.95 125.42 3mv9 s ARG 81 Ca -0.01 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 3mv9 s ARG 81 Cb -0.14 -3.28 0.06 0.00 -1.56 0.00 0.00 34.95 30.03 3mv9 s ARG 81 CO -0.06 0.20 0.03 0.08 -0.81 0.00 0.00 175.30 174.74 3mv9 s VAL 82 N 0.59 0.56 0.28 7.11 1.01 -0.82 0.94 120.40 130.07 3mv9 s VAL 82 Ca 0.04 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3mv9 s VAL 82 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3mv9 s VAL 82 CO 0.01 -0.17 0.40 0.21 0.00 0.00 0.00 175.10 175.54 3mv9 s ASN 83 N 1.84 6.10 0.05 3.32 2.47 -0.77 -1.61 114.94 126.35 3mv9 s ASN 83 Ca -0.01 -0.07 -0.28 0.00 0.42 0.00 0.00 52.86 52.92 3mv9 s ASN 83 Cb -0.17 -1.55 0.10 0.00 -1.45 0.00 0.00 41.25 38.18 3mv9 s ASN 83 CO -0.08 -0.23 1.16 -2.28 -3.72 0.00 0.00 177.10 171.95 3mv9 s HIS 84 N -2.08 -0.08 0.15 0.43 5.65 -1.24 -4.06 115.29 114.06 3mv9 s HIS 84 Ca 0.39 -0.10 0.21 0.00 0.25 0.00 0.00 55.06 55.81 3mv9 s HIS 84 Cb -0.09 0.58 0.79 0.00 -1.18 0.00 0.00 32.58 32.68 3mv9 s HIS 84 CO 0.30 -0.49 1.78 -0.24 -0.65 0.00 0.00 174.74 175.44 3mv9 h VAL 85 N 2.00 0.72 -0.50 0.89 3.04 -1.87 -2.89 116.25 117.64 3mv9 h VAL 85 Ca -0.28 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.10 3mv9 h VAL 85 Cb 1.21 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 3mv9 h VAL 85 CO 0.27 0.29 0.00 1.07 -1.01 0.00 0.00 177.57 178.19 3mv9 n THR 86 N -3.47 2.37 -4.62 3.17 5.66 -1.26 -4.86 114.28 111.28 3mv9 n THR 86 Ca -0.00 -1.20 -0.33 0.00 -3.05 0.00 0.00 64.05 59.47 3mv9 n THR 86 Cb 0.47 -0.31 -0.15 0.00 -1.55 0.00 0.00 70.33 68.79 3mv9 n THR 86 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3mv9 s LEU 87 N -2.37 2.51 0.66 1.09 1.43 -1.09 -4.96 118.68 115.95 3mv9 s LEU 87 Ca 0.47 -0.44 0.39 0.00 -1.03 0.00 0.00 54.13 53.51 3mv9 s LEU 87 Cb 0.36 -1.57 2.13 0.00 0.03 0.00 0.00 46.19 47.14 3mv9 s LEU 87 CO 0.14 0.11 2.22 0.28 0.23 0.00 0.00 176.35 179.33 3mv9 h SER 88 N 7.15 0.00 -4.91 2.29 0.02 -1.89 -3.44 113.55 112.76 3mv9 h SER 88 Ca -0.30 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 60.94 3mv9 h SER 88 Cb 1.20 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 3mv9 h SER 88 CO 0.56 0.00 0.84 0.00 -1.14 0.00 0.00 176.83 177.09 3mv9 s GLN 89 N -4.21 0.32 0.31 3.45 -2.07 -1.26 -5.14 119.66 111.05 3mv9 s GLN 89 Ca -0.05 -0.15 -0.29 0.00 -1.82 0.00 0.00 55.36 53.05 3mv9 s GLN 89 Cb 0.12 0.13 -0.12 0.00 -1.09 0.00 0.00 33.01 32.05 3mv9 s GLN 89 CO 0.39 -0.14 1.44 -2.30 -1.32 0.00 0.00 175.29 173.37 3mv9 n PRO 90 N -0.26 2.36 -3.91 9.60 -0.02 -1.26 -4.91 135.00 136.60 3mv9 n PRO 90 Ca -0.03 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 3mv9 n PRO 90 Cb 0.60 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3mv9 n PRO 90 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mv9 s LYS 91 N -1.11 4.04 0.08 -0.52 -0.14 -0.63 -4.91 119.74 116.54 3mv9 s LYS 91 Ca 0.61 -0.30 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 3mv9 s LYS 91 Cb -0.55 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.28 3mv9 s LYS 91 CO 0.55 0.29 -0.09 0.96 -0.76 0.00 0.00 175.35 176.30 3mv9 s ILE 92 N 0.34 3.46 -0.05 2.17 -4.36 -1.26 -1.94 121.20 119.56 3mv9 s ILE 92 Ca 0.05 -1.13 -0.02 0.00 -0.26 0.00 0.00 60.65 59.29 3mv9 s ILE 92 Cb -0.12 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.04 3mv9 s ILE 92 CO -0.01 0.18 0.08 0.68 0.24 0.00 0.00 174.94 176.12 3mv9 s VAL 93 N -1.16 -0.12 0.34 8.37 -7.23 -0.96 -5.01 120.40 114.63 3mv9 s VAL 93 Ca 0.21 0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 60.46 3mv9 s VAL 93 Cb -0.11 -0.17 -0.10 0.00 0.56 0.00 0.00 36.38 36.56 3mv9 s VAL 93 CO 0.12 0.14 0.95 -0.75 -0.31 0.00 0.00 175.10 175.26 3mv9 s LYS 94 N 1.79 4.50 -0.34 4.82 2.47 -1.26 -1.95 119.74 129.77 3mv9 s LYS 94 Ca -0.01 1.31 -0.23 0.00 -1.56 0.00 0.00 55.97 55.48 3mv9 s LYS 94 Cb -0.12 -2.69 0.01 0.00 -1.46 0.00 0.00 37.83 33.57 3mv9 s LYS 94 CO -0.04 0.20 0.79 -0.46 0.16 0.00 0.00 175.35 176.00 3mv9 s TRP 95 N -1.71 3.15 0.16 4.03 -0.00 -1.08 -4.91 118.94 118.59 3mv9 s TRP 95 Ca 0.53 0.67 -0.08 0.00 -0.00 0.00 0.00 56.10 57.21 3mv9 s TRP 95 Cb -0.17 -3.33 -0.06 0.00 -0.00 0.00 0.00 33.47 29.91 3mv9 s TRP 95 CO 0.22 -0.66 0.46 0.34 -0.00 0.00 0.00 176.95 177.31 3mv9 s ASP 96 N 1.75 6.59 0.15 5.86 -1.08 -1.26 -4.83 116.67 123.84 3mv9 s ASP 96 Ca 0.32 0.78 0.17 0.00 -0.52 0.00 0.00 52.55 53.30 3mv9 s ASP 96 Cb -0.14 -2.17 0.75 0.00 -1.46 0.00 0.00 42.92 39.91 3mv9 s ASP 96 CO 0.15 0.03 1.52 0.54 0.52 0.00 0.00 175.17 177.93 3mv9 n ARG 97 N 0.20 0.10 -2.41 4.34 1.74 -1.26 -4.58 116.66 114.78 3mv9 n ARG 97 Ca -0.02 0.42 -0.08 0.00 -0.77 0.00 0.00 57.85 57.39 3mv9 n ARG 97 Cb 0.52 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3mv9 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3mv9 n ASP 98 N -1.90 1.86 0.00 0.55 10.43 -1.26 -4.55 116.55 121.68 3mv9 n ASP 98 Ca 0.02 -1.59 0.00 0.00 2.57 0.00 0.00 54.79 55.79 3mv9 n ASP 98 Cb 0.14 0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.14 3mv9 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36