#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9hvp s GLN 2 N 0.00 3.37 -0.19 -0.52 0.74 -1.26 -5.05 119.66 116.75 9hvp s GLN 2 Ca 0.00 -0.39 -0.06 0.00 0.05 0.00 0.00 55.36 54.95 9hvp s GLN 2 Cb 0.00 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.18 9hvp s GLN 2 CO 0.00 -0.82 0.04 0.42 -0.55 0.00 0.00 175.29 174.38 9hvp s ILE 3 N 2.46 4.49 0.30 -2.34 1.01 -1.26 -5.11 121.20 120.75 9hvp s ILE 3 Ca 0.18 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.72 9hvp s ILE 3 Cb -0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 9hvp s ILE 3 CO 0.15 0.45 0.46 0.42 0.00 0.00 0.00 174.94 176.42 9hvp s THR 4 N 0.56 5.12 -0.43 2.92 -4.23 -1.26 -5.04 115.64 113.28 9hvp s THR 4 Ca 0.02 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 9hvp s THR 4 Cb -0.13 -3.84 0.57 0.00 1.34 0.00 0.00 72.50 70.44 9hvp s THR 4 CO 0.02 -0.43 1.76 0.18 -0.54 0.00 0.00 174.62 175.61 9hvp n LEU 5 N -1.61 6.05 0.10 4.79 4.77 -1.26 -4.33 117.00 125.51 9hvp n LEU 5 Ca -0.06 -3.86 -0.02 0.00 -0.03 0.00 0.00 56.01 52.03 9hvp n LEU 5 Cb 0.57 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 9hvp n LEU 5 CO 0.47 1.26 0.32 -0.50 -1.33 0.00 0.00 177.39 177.61 9hvp h TRP 6 N 1.26 0.00 -4.03 -1.77 4.06 -2.06 -3.44 115.95 109.97 9hvp h TRP 6 Ca 0.50 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 61.01 9hvp h TRP 6 Cb 2.06 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 29.98 9hvp h TRP 6 CO 1.36 0.75 -0.79 -0.65 -3.56 0.00 0.00 178.44 175.56 9hvp s GLN 7 N -2.93 0.90 -0.41 0.49 -0.21 -1.26 -5.09 119.66 111.16 9hvp s GLN 7 Ca 0.02 -0.76 -0.42 0.00 0.02 0.00 0.00 55.36 54.22 9hvp s GLN 7 Cb 0.09 -0.90 -0.17 0.00 1.00 0.00 0.00 33.01 33.03 9hvp s GLN 7 CO 0.78 0.22 1.88 0.54 -2.12 0.00 0.00 175.29 176.59 9hvp n ARG 8 N 1.86 0.54 -1.71 2.91 1.74 -1.26 -4.84 116.66 115.90 9hvp n ARG 8 Ca -0.18 0.18 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 9hvp n ARG 8 Cb 0.55 -1.85 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 9hvp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 9hvp n PRO 9 N 6.03 0.99 -3.55 5.56 -0.04 -1.26 -4.94 135.00 137.80 9hvp n PRO 9 Ca 0.37 -2.06 -0.37 0.00 -0.04 0.00 0.00 63.50 61.40 9hvp n PRO 9 Cb 0.05 -3.64 -0.07 0.00 -0.04 0.00 0.00 33.50 29.80 9hvp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 9hvp s LEU 10 N 11.42 4.30 0.44 1.53 1.43 -1.26 -1.23 118.68 135.31 9hvp s LEU 10 Ca 0.72 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 9hvp s LEU 10 Cb 0.01 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 9hvp s LEU 10 CO 0.17 0.16 0.09 0.54 0.23 0.00 0.00 176.35 177.54 9hvp s VAL 11 N 0.07 0.77 -0.11 -1.59 0.11 0.83 -4.86 120.40 115.62 9hvp s VAL 11 Ca 0.18 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.26 9hvp s VAL 11 Cb -0.14 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 9hvp s VAL 11 CO 0.06 0.00 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.75 9hvp s THR 12 N -3.10 2.54 0.00 5.04 2.01 -1.26 -1.01 115.64 119.86 9hvp s THR 12 Ca 0.18 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.38 9hvp s THR 12 Cb 0.02 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 9hvp s THR 12 CO 0.11 0.55 -0.18 0.27 -0.69 0.00 0.00 174.62 174.68 9hvp s ILE 13 N 0.26 1.40 -0.28 1.82 -4.36 0.12 -1.80 121.20 118.37 9hvp s ILE 13 Ca -0.13 -0.84 -0.04 0.00 -0.26 0.00 0.00 60.65 59.37 9hvp s ILE 13 Cb -0.16 -1.18 0.02 0.00 1.25 0.00 0.00 42.46 42.38 9hvp s ILE 13 CO 0.07 0.32 0.02 -0.75 0.24 0.00 0.00 174.94 174.84 9hvp s LYS 14 N -0.60 2.90 -0.01 0.37 2.20 -0.30 -1.02 119.74 123.28 9hvp s LYS 14 Ca 0.06 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.73 9hvp s LYS 14 Cb -0.07 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 9hvp s LYS 14 CO -0.00 -0.46 -0.05 0.42 -0.36 0.00 0.00 175.35 174.90 9hvp s ILE 15 N 1.40 0.45 -1.87 5.43 1.09 0.96 -2.20 121.20 126.47 9hvp s ILE 15 Ca 0.01 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.34 9hvp s ILE 15 Cb -0.17 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 40.82 9hvp s ILE 15 CO -0.00 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.59 9hvp n GLY 16 N 3.14 0.40 2.24 6.18 0.00 -1.26 -0.44 105.19 115.44 9hvp n GLY 16 Ca -0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 9hvp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9hvp n GLY 17 N -0.83 0.81 3.14 -0.02 0.00 -1.26 -5.00 105.19 102.02 9hvp n GLY 17 Ca -0.23 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 9hvp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 9hvp s GLN 18 N -3.17 1.16 -0.10 1.61 -0.21 0.41 -5.13 119.66 114.22 9hvp s GLN 18 Ca 0.00 -0.61 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 9hvp s GLN 18 Cb 0.00 -1.14 -0.05 0.00 1.00 0.00 0.00 33.01 32.83 9hvp s GLN 18 CO 0.00 0.30 0.42 -0.51 -2.12 0.00 0.00 175.29 173.39 9hvp s LEU 19 N -0.58 4.31 0.15 2.90 2.01 -1.26 -0.03 118.68 126.18 9hvp s LEU 19 Ca 0.05 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.97 9hvp s LEU 19 Cb -0.06 -2.60 -0.04 0.00 0.01 0.00 0.00 46.19 43.49 9hvp s LEU 19 CO 0.00 0.08 0.02 -0.54 1.01 0.00 0.00 176.35 176.92 9hvp s LYS 20 N 0.26 1.01 0.03 1.70 3.01 -0.19 -4.97 119.74 120.60 9hvp s LYS 20 Ca 0.23 -1.48 0.04 0.00 -1.01 0.00 0.00 55.97 53.76 9hvp s LYS 20 Cb -0.15 -0.06 -0.04 0.00 -1.01 0.00 0.00 37.83 36.57 9hvp s LYS 20 CO 0.09 -0.17 -0.07 -2.00 0.51 0.00 0.00 175.35 173.71 9hvp s GLU 21 N -3.96 2.45 -0.15 1.68 2.12 -1.26 -0.70 118.70 118.87 9hvp s GLU 21 Ca 0.23 -0.80 -0.14 0.00 0.36 0.00 0.00 54.97 54.61 9hvp s GLU 21 Cb 0.07 -2.45 0.04 0.00 0.26 0.00 0.00 34.13 32.04 9hvp s GLU 21 CO 0.02 0.57 0.41 0.00 -0.54 0.00 0.00 175.26 175.73 9hvp s ALA 22 N -1.06 -1.01 0.45 6.30 0.00 -0.18 -4.55 121.76 121.71 9hvp s ALA 22 Ca 0.19 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.07 9hvp s ALA 22 Cb -0.11 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 9hvp s ALA 22 CO 0.10 -0.20 1.24 -1.17 0.00 0.00 0.00 175.76 175.73 9hvp s LEU 23 N 0.26 4.06 -0.46 0.00 0.20 -0.46 -0.12 118.68 122.16 9hvp s LEU 23 Ca -0.00 2.50 -0.11 0.00 0.69 0.00 0.00 54.13 57.20 9hvp s LEU 23 Cb -0.03 -4.12 0.10 0.00 -0.43 0.00 0.00 46.19 41.71 9hvp s LEU 23 CO 0.00 -0.99 0.34 -0.76 -0.29 0.00 0.00 176.35 174.66 9hvp s LEU 24 N -2.87 5.57 -0.49 -0.68 1.02 -0.36 -0.53 118.68 120.34 9hvp s LEU 24 Ca 0.62 -1.68 -0.05 0.00 0.02 0.00 0.00 54.13 53.03 9hvp s LEU 24 Cb -0.34 -2.05 0.13 0.00 0.02 0.00 0.00 46.19 43.95 9hvp s LEU 24 CO 0.42 -0.66 0.32 -0.62 0.02 0.00 0.00 176.35 175.83 9hvp s ASP 25 N 2.61 5.47 0.25 2.29 2.15 -0.25 -4.87 116.67 124.32 9hvp s ASP 25 Ca 0.04 -2.18 0.22 0.00 0.43 0.00 0.00 52.55 51.06 9hvp s ASP 25 Cb -0.25 -1.91 0.97 0.00 -0.30 0.00 0.00 42.92 41.42 9hvp s ASP 25 CO 0.02 -0.56 1.66 0.35 -0.17 0.00 0.00 175.17 176.46 9hvp n THR 26 N 4.46 0.94 0.16 1.71 -2.24 -1.26 -2.74 114.28 115.30 9hvp n THR 26 Ca -0.02 0.37 0.07 0.00 -2.27 0.00 0.00 64.05 62.21 9hvp n THR 26 Cb 0.41 -1.31 0.07 0.00 -2.10 0.00 0.00 70.33 67.39 9hvp n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 9hvp h GLY 27 N 1.61 0.00 -5.98 3.38 0.00 -1.94 -3.45 103.07 96.69 9hvp h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 9hvp h GLY 27 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.31 9hvp s ALA 28 N -3.12 3.55 0.19 3.60 0.00 -1.11 -4.95 121.76 119.92 9hvp s ALA 28 Ca 0.04 -0.41 0.27 0.00 0.00 0.00 0.00 51.96 51.86 9hvp s ALA 28 Cb 0.07 -2.55 1.15 0.00 0.00 0.00 0.00 23.12 21.79 9hvp s ALA 28 CO 0.73 -0.08 1.92 -0.44 0.00 0.00 0.00 175.76 177.89 9hvp h ASP 29 N 6.95 0.00 -3.90 0.00 3.32 -1.87 -0.41 116.42 120.50 9hvp h ASP 29 Ca -0.39 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 55.97 9hvp h ASP 29 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 9hvp h ASP 29 CO 0.74 0.15 -0.86 -1.81 -1.72 0.00 0.00 179.24 175.75 9hvp s ASP 30 N -6.05 3.43 -0.30 6.45 1.01 -1.26 -3.70 116.67 116.23 9hvp s ASP 30 Ca -0.00 -0.70 -0.25 0.00 0.71 0.00 0.00 52.55 52.31 9hvp s ASP 30 Cb 0.11 -0.29 0.01 0.00 1.01 0.00 0.00 42.92 43.75 9hvp s ASP 30 CO 0.60 0.19 0.89 -0.89 0.21 0.00 0.00 175.17 176.16 9hvp s THR 31 N -1.06 4.70 -0.08 -1.27 2.01 -1.26 -3.50 115.64 115.19 9hvp s THR 31 Ca 0.15 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.58 9hvp s THR 31 Cb -0.10 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.18 9hvp s THR 31 CO 0.07 -0.31 -0.20 0.54 -0.69 0.00 0.00 174.62 174.02 9hvp s VAL 32 N 3.17 1.76 0.10 3.82 0.11 -0.86 -2.39 120.40 126.10 9hvp s VAL 32 Ca 0.37 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 9hvp s VAL 32 Cb -0.14 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 9hvp s VAL 32 CO 0.13 0.49 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.43 9hvp s LEU 33 N 0.36 2.29 0.80 2.54 1.43 -0.27 -0.53 118.68 125.29 9hvp s LEU 33 Ca -0.15 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 9hvp s LEU 33 Cb -0.17 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.21 9hvp s LEU 33 CO 0.07 0.05 0.71 -0.62 0.23 0.00 0.00 176.35 176.79 9hvp n GLU 34 N 1.15 0.14 -1.57 1.70 1.02 -1.26 -2.73 120.64 119.09 9hvp n GLU 34 Ca -0.20 0.10 -0.59 0.00 -0.02 0.00 0.00 57.16 56.45 9hvp n GLU 34 Cb 0.54 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 9hvp n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 9hvp n GLU 35 N -1.73 0.25 -3.65 3.49 -0.58 -1.23 -4.70 120.64 112.49 9hvp n GLU 35 Ca 0.10 0.09 -0.15 0.00 -0.42 0.00 0.00 57.16 56.78 9hvp n GLU 35 Cb 0.51 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.68 9hvp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 9hvp s MET 36 N 0.81 0.83 -0.17 3.49 0.23 -1.26 -5.08 119.30 118.16 9hvp s MET 36 Ca 0.93 0.10 -0.29 0.00 -1.03 0.00 0.00 55.69 55.40 9hvp s MET 36 Cb -1.25 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 32.42 9hvp s MET 36 CO 0.60 -0.23 1.31 1.21 -2.03 0.00 0.00 175.02 175.88 9hvp s ASN 37 N -1.10 6.88 -0.08 -1.18 3.84 -1.26 -4.99 114.94 117.05 9hvp s ASN 37 Ca -0.11 1.70 -0.03 0.00 0.21 0.00 0.00 52.86 54.62 9hvp s ASN 37 Cb -0.03 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.18 9hvp s ASN 37 CO 0.06 -0.82 0.17 -0.22 -2.79 0.00 0.00 177.10 173.51 9hvp s LEU 38 N 3.67 0.38 0.41 3.21 2.96 -1.26 -4.95 118.68 123.11 9hvp s LEU 38 Ca 0.57 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.58 9hvp s LEU 38 Cb -0.22 0.41 -0.09 0.00 0.50 0.00 0.00 46.19 46.79 9hvp s LEU 38 CO 0.17 -0.18 1.31 -2.16 -1.32 0.00 0.00 176.35 174.17 9hvp s PRO 39 N 1.59 3.92 0.00 0.98 0.04 -1.26 -4.92 135.00 135.35 9hvp s PRO 39 Ca -0.05 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.17 9hvp s PRO 39 Cb -0.12 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.69 9hvp s PRO 39 CO -0.06 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.85 9hvp n GLY 40 N 0.65 0.69 3.22 0.56 0.00 -1.26 -5.04 105.19 104.01 9hvp n GLY 40 Ca 0.04 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 9hvp n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 9hvp s ARG 41 N -1.06 3.08 0.45 1.61 1.70 -1.26 -5.16 118.95 118.31 9hvp s ARG 41 Ca 0.00 -0.84 0.06 0.00 -0.47 0.00 0.00 55.73 54.48 9hvp s ARG 41 Cb 0.00 -2.41 -0.03 0.00 -0.57 0.00 0.00 34.95 31.94 9hvp s ARG 41 CO 0.00 0.10 0.22 1.67 -1.08 0.00 0.00 175.30 176.21 9hvp s TRP 42 N 0.55 2.37 0.14 5.89 1.48 -1.26 -4.79 118.94 123.32 9hvp s TRP 42 Ca -0.13 -0.66 0.10 0.00 -1.06 0.00 0.00 56.10 54.36 9hvp s TRP 42 Cb -0.17 -1.94 -0.04 0.00 -1.16 0.00 0.00 33.47 30.16 9hvp s TRP 42 CO 0.04 0.04 -0.23 0.15 -4.06 0.00 0.00 176.95 172.90 9hvp s LYS 43 N -3.99 1.58 0.98 3.25 1.02 -0.71 -4.91 119.74 116.96 9hvp s LYS 43 Ca 0.37 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 9hvp s LYS 43 Cb 0.02 -1.98 0.18 0.00 -0.52 0.00 0.00 37.83 35.54 9hvp s LYS 43 CO 0.21 0.45 1.10 -1.25 -0.92 0.00 0.00 175.35 174.94 9hvp s PRO 44 N -2.23 0.52 -0.28 -1.68 0.04 -1.26 0.39 135.00 130.50 9hvp s PRO 44 Ca 0.17 1.27 -0.36 0.00 0.04 0.00 0.00 61.00 62.11 9hvp s PRO 44 Cb -0.10 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 32.92 9hvp s PRO 44 CO 0.08 -2.88 1.36 0.21 0.04 0.00 0.00 177.00 175.82 9hvp s LYS 45 N -4.63 0.06 0.06 4.56 2.20 -0.15 -4.43 119.74 117.41 9hvp s LYS 45 Ca 0.67 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 9hvp s LYS 45 Cb -0.23 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.09 9hvp s LYS 45 CO 0.60 -0.02 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.82 9hvp s MET 46 N -1.86 0.66 0.13 4.03 -1.94 -1.26 0.41 119.30 119.47 9hvp s MET 46 Ca 0.11 -0.87 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 9hvp s MET 46 Cb -0.01 -0.49 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 9hvp s MET 46 CO -0.04 0.09 -0.10 0.96 -0.01 0.00 0.00 175.02 175.92 9hvp s ILE 47 N -1.49 1.13 0.02 2.53 -4.36 0.04 -4.89 121.20 114.18 9hvp s ILE 47 Ca -0.06 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 9hvp s ILE 47 Cb -0.09 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 9hvp s ILE 47 CO 0.01 -0.68 -0.15 -0.83 0.24 0.00 0.00 174.94 173.53 9hvp s GLY 48 N -2.94 0.80 0.00 6.27 0.00 -1.26 -0.99 107.32 109.20 9hvp s GLY 48 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.08 9hvp s GLY 48 CO 0.01 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.01 9hvp n GLY 49 N 2.23 5.50 3.90 0.20 0.00 -0.89 -5.03 105.19 111.11 9hvp n GLY 49 Ca -0.16 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 9hvp n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 9hvp s ILE 50 N 2.31 5.05 0.00 -0.61 -5.25 -1.26 -4.11 121.20 117.32 9hvp s ILE 50 Ca 0.00 0.09 0.00 0.00 -0.99 0.00 0.00 60.65 59.75 9hvp s ILE 50 Cb 0.00 -3.69 0.00 0.00 2.95 0.00 0.00 42.46 41.72 9hvp s ILE 50 CO 0.00 -0.20 0.00 0.61 -1.79 0.00 0.00 174.94 173.56 9hvp n GLY 51 N -0.57 2.03 0.00 6.27 0.00 -1.26 -4.90 105.19 106.75 9hvp n GLY 51 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 9hvp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9hvp n GLY 52 N 0.00 2.74 2.76 -0.02 0.00 -1.26 -5.16 105.19 104.24 9hvp n GLY 52 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 9hvp n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 9hvp s PHE 53 N 0.26 0.24 0.16 1.61 -0.71 -1.26 -2.09 117.98 116.19 9hvp s PHE 53 Ca 0.00 0.07 0.05 0.00 -1.04 0.00 0.00 56.93 56.01 9hvp s PHE 53 Cb 0.00 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 9hvp s PHE 53 CO 0.00 -0.17 0.16 0.96 -1.34 0.00 0.00 175.22 174.83 9hvp s ILE 54 N 1.50 4.63 -0.35 -4.49 -4.36 -0.16 -4.93 121.20 113.05 9hvp s ILE 54 Ca -0.03 -1.02 -0.09 0.00 -0.26 0.00 0.00 60.65 59.24 9hvp s ILE 54 Cb -0.13 -3.37 0.02 0.00 1.25 0.00 0.00 42.46 40.23 9hvp s ILE 54 CO -0.03 -0.11 0.16 -0.54 0.24 0.00 0.00 174.94 174.67 9hvp s LYS 55 N -3.14 2.93 0.40 0.37 3.01 -1.26 -0.78 119.74 121.27 9hvp s LYS 55 Ca 0.32 -1.00 0.08 0.00 -1.01 0.00 0.00 55.97 54.36 9hvp s LYS 55 Cb -0.10 -3.61 -0.02 0.00 -1.01 0.00 0.00 37.83 33.09 9hvp s LYS 55 CO 0.24 -0.60 0.38 0.14 0.51 0.00 0.00 175.35 176.02 9hvp s VAL 56 N 1.53 2.84 -0.19 3.17 -7.23 0.16 -4.55 120.40 116.13 9hvp s VAL 56 Ca 0.02 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 9hvp s VAL 56 Cb -0.19 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 9hvp s VAL 56 CO 0.05 -0.03 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.66 9hvp s ARG 57 N -4.13 3.55 -0.24 4.82 0.52 0.36 -0.98 118.95 122.84 9hvp s ARG 57 Ca 0.48 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.93 9hvp s ARG 57 Cb -0.04 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 9hvp s ARG 57 CO 0.28 0.01 0.59 1.14 0.02 0.00 0.00 175.30 177.34 9hvp s GLN 58 N 0.97 4.12 -0.37 3.54 -2.07 0.16 -1.65 119.66 124.37 9hvp s GLN 58 Ca 0.01 0.48 -0.12 0.00 -1.82 0.00 0.00 55.36 53.91 9hvp s GLN 58 Cb -0.14 -3.63 0.01 0.00 -1.09 0.00 0.00 33.01 28.16 9hvp s GLN 58 CO 0.01 -0.34 0.23 0.71 -1.32 0.00 0.00 175.29 174.58 9hvp s TYR 59 N 2.26 3.23 0.15 9.60 1.51 -0.91 -1.74 117.35 131.45 9hvp s TYR 59 Ca 0.25 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 9hvp s TYR 59 Cb -0.16 -2.47 -0.05 0.00 -0.11 0.00 0.00 41.96 39.17 9hvp s TYR 59 CO 0.09 -0.55 0.37 -0.51 -1.11 0.00 0.00 175.55 173.84 9hvp s ASP 60 N 1.62 6.47 -0.61 2.29 1.01 -1.26 -1.62 116.67 124.57 9hvp s ASP 60 Ca 0.04 0.55 -0.03 0.00 0.71 0.00 0.00 52.55 53.82 9hvp s ASP 60 Cb -0.18 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 9hvp s ASP 60 CO 0.08 0.04 0.53 0.00 0.21 0.00 0.00 175.17 176.03 9hvp n GLN 61 N -0.03 -1.41 -4.75 8.23 6.02 0.49 -4.93 117.38 120.99 9hvp n GLN 61 Ca -0.03 0.50 -0.33 0.00 -0.01 0.00 0.00 57.00 57.13 9hvp n GLN 61 Cb 0.52 -4.02 -0.13 0.00 1.02 0.00 0.00 30.24 27.63 9hvp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 9hvp s ILE 62 N -3.22 3.28 -0.13 5.09 -1.09 0.58 -4.80 121.20 120.90 9hvp s ILE 62 Ca 0.25 -0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 57.84 9hvp s ILE 62 Cb -0.03 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 9hvp s ILE 62 CO 0.43 0.56 0.63 -0.22 -1.23 0.00 0.00 174.94 175.11 9hvp s LEU 63 N -0.29 4.24 -0.01 2.97 2.96 -1.26 -2.12 118.68 125.17 9hvp s LEU 63 Ca 0.03 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.99 9hvp s LEU 63 Cb -0.13 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 9hvp s LEU 63 CO 0.03 -0.15 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.05 9hvp s ILE 64 N 1.18 1.79 -0.76 6.68 1.01 -1.03 -4.46 121.20 125.60 9hvp s ILE 64 Ca 0.32 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 9hvp s ILE 64 Cb -0.16 -1.49 0.20 0.00 0.01 0.00 0.00 42.46 41.01 9hvp s ILE 64 CO 0.13 0.47 0.70 -1.61 0.00 0.00 0.00 174.94 174.63 9hvp s GLU 65 N -0.63 3.43 0.01 2.79 0.41 -0.93 -2.37 118.70 121.40 9hvp s GLU 65 Ca 0.09 -2.31 -0.23 0.00 -0.41 0.00 0.00 54.97 52.10 9hvp s GLU 65 Cb -0.09 -4.37 -0.05 0.00 -1.78 0.00 0.00 34.13 27.84 9hvp s GLU 65 CO -0.00 -1.29 0.69 0.42 -0.49 0.00 0.00 175.26 174.58 9hvp s ILE 66 N 0.44 4.84 0.00 -1.63 1.01 0.19 -1.15 121.20 124.90 9hvp s ILE 66 Ca 0.15 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.25 9hvp s ILE 66 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.29 9hvp s ILE 66 CO -0.06 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.25 9hvp n GLY 68 N -0.39 -0.13 3.20 0.00 0.00 -1.26 -5.04 105.19 101.56 9hvp n GLY 68 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 9hvp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 9hvp s HIS 69 N -3.25 -0.37 0.33 1.61 4.02 0.58 -5.14 115.29 113.07 9hvp s HIS 69 Ca 0.01 0.89 0.07 0.00 1.02 0.00 0.00 55.06 57.05 9hvp s HIS 69 Cb -0.00 0.13 -0.03 0.00 -1.02 0.00 0.00 32.58 31.66 9hvp s HIS 69 CO 0.51 -0.19 0.28 0.15 1.02 0.00 0.00 174.74 176.51 9hvp s LYS 70 N 0.34 2.70 0.29 1.40 1.02 -1.26 0.55 119.74 124.78 9hvp s LYS 70 Ca -0.01 -1.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.51 9hvp s LYS 70 Cb -0.03 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 9hvp s LYS 70 CO -0.01 0.10 0.63 0.00 -0.92 0.00 0.00 175.35 175.15 9hvp s ALA 71 N -2.31 -0.67 -0.02 5.17 0.00 -1.00 -4.67 121.76 118.26 9hvp s ALA 71 Ca 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.71 9hvp s ALA 71 Cb -0.06 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.02 9hvp s ALA 71 CO 0.26 -0.95 0.03 0.42 0.00 0.00 0.00 175.76 175.52 9hvp s ILE 72 N -3.66 -0.05 0.00 0.00 1.01 -1.26 -2.48 121.20 114.77 9hvp s ILE 72 Ca 0.17 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.03 9hvp s ILE 72 Cb -0.04 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.34 9hvp s ILE 72 CO 0.09 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.74 9hvp n GLY 73 N 4.18 2.39 3.54 6.18 0.00 -0.90 -4.80 105.19 115.78 9hvp n GLY 73 Ca -0.28 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 9hvp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 9hvp s THR 74 N -0.49 4.64 -0.16 2.61 2.01 -1.26 -0.31 115.64 122.69 9hvp s THR 74 Ca 0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 9hvp s THR 74 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.37 9hvp s THR 74 CO 0.00 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 9hvp s VAL 75 N 1.13 2.45 -0.08 3.82 1.01 -0.64 -4.50 120.40 123.59 9hvp s VAL 75 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 9hvp s VAL 75 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 9hvp s VAL 75 CO 0.04 0.52 0.14 -0.76 0.00 0.00 0.00 175.10 175.04 9hvp s LEU 76 N 0.88 4.30 0.07 3.92 1.43 -1.01 -2.15 118.68 126.12 9hvp s LEU 76 Ca -0.04 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 9hvp s LEU 76 Cb -0.15 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 9hvp s LEU 76 CO -0.02 0.37 -0.14 -0.69 0.23 0.00 0.00 176.35 176.10 9hvp s VAL 77 N -1.10 3.12 -2.39 -1.59 1.01 -0.66 -1.12 120.40 117.68 9hvp s VAL 77 Ca 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.97 9hvp s VAL 77 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.87 9hvp s VAL 77 CO 0.08 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.03 9hvp n GLY 78 N 1.17 -0.92 2.15 4.51 0.00 -1.10 -0.49 105.19 110.51 9hvp n GLY 78 Ca -0.15 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 9hvp n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 9hvp n PRO 79 N 0.00 2.83 -3.51 1.61 -0.02 -1.26 -3.57 135.00 131.08 9hvp n PRO 79 Ca 0.00 -1.59 -0.33 0.00 -2.02 0.00 0.00 63.50 59.57 9hvp n PRO 79 Cb 0.00 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.04 9hvp n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 9hvp s THR 80 N 1.54 5.02 0.31 3.45 -1.32 -1.26 -5.00 115.64 118.38 9hvp s THR 80 Ca 0.68 0.38 0.08 0.00 -1.21 0.00 0.00 61.69 61.62 9hvp s THR 80 Cb 0.25 -3.64 0.05 0.00 -1.51 0.00 0.00 72.50 67.66 9hvp s THR 80 CO -0.03 0.06 1.74 1.55 -2.21 0.00 0.00 174.62 175.72 9hvp h PRO 81 N 2.93 0.20 -4.26 7.08 0.13 -1.99 -3.44 132.00 132.66 9hvp h PRO 81 Ca -0.47 -0.09 -0.20 0.00 -0.87 0.00 0.00 66.00 64.37 9hvp h PRO 81 Cb 1.17 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 9hvp h PRO 81 CO 0.69 0.56 -0.71 0.14 -0.23 0.00 0.00 178.00 178.46 9hvp s VAL 82 N -4.19 0.31 0.21 1.56 -7.23 -1.26 -5.06 120.40 104.73 9hvp s VAL 82 Ca -0.04 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 9hvp s VAL 82 Cb 0.14 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 36.28 9hvp s VAL 82 CO 0.76 -0.59 0.93 0.20 -0.31 0.00 0.00 175.10 176.10 9hvp s ASN 83 N -1.90 7.60 -0.15 4.85 0.01 -1.26 -4.66 114.94 119.43 9hvp s ASN 83 Ca -0.08 1.90 0.01 0.00 -0.71 0.00 0.00 52.86 53.98 9hvp s ASN 83 Cb -0.05 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.03 9hvp s ASN 83 CO -0.02 0.11 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.88 9hvp s ILE 84 N -0.91 1.76 -0.38 0.60 1.01 0.31 -1.36 121.20 122.24 9hvp s ILE 84 Ca 0.42 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 9hvp s ILE 84 Cb -0.25 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.61 9hvp s ILE 84 CO 0.31 0.49 0.42 -0.63 0.00 0.00 0.00 174.94 175.53 9hvp s ILE 85 N 1.23 5.11 0.34 2.92 -1.09 0.32 -2.03 121.20 127.99 9hvp s ILE 85 Ca 0.01 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 9hvp s ILE 85 Cb -0.14 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.87 9hvp s ILE 85 CO -0.08 -0.25 0.47 0.61 -1.23 0.00 0.00 174.94 174.46 9hvp n GLY 86 N 5.00 1.21 0.16 6.18 0.00 -1.23 -1.09 105.19 115.41 9hvp n GLY 86 Ca -0.08 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.00 9hvp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 9hvp h ARG 87 N 0.00 0.00 -0.01 1.61 3.08 -1.14 -2.63 114.38 115.29 9hvp h ARG 87 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 9hvp h ARG 87 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 9hvp h ARG 87 CO 0.19 0.00 -0.03 0.27 -1.07 0.00 0.00 179.97 179.32 9hvp n ASN 88 N -2.35 0.60 -0.01 7.04 6.94 -1.25 -3.04 115.26 123.21 9hvp n ASN 88 Ca 0.01 -1.01 -0.00 0.00 -0.02 0.00 0.00 54.58 53.56 9hvp n ASN 88 Cb 0.18 -0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.56 9hvp n ASN 88 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 9hvp n LEU 89 N -0.64 0.00 -0.34 -4.53 4.77 -1.01 -4.59 117.00 110.66 9hvp n LEU 89 Ca 0.19 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 9hvp n LEU 89 Cb 0.24 0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.51 9hvp n LEU 89 CO 0.19 0.03 1.23 -0.07 -1.33 0.00 0.00 177.39 177.44 9hvp h LEU 90 N 0.00 0.95 -0.59 2.23 3.38 -1.43 -0.37 115.31 119.49 9hvp h LEU 90 Ca -0.03 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 9hvp h LEU 90 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 9hvp h LEU 90 CO 0.00 0.61 -0.04 0.71 0.09 0.00 0.00 178.44 179.81 9hvp h THR 91 N 1.09 1.27 0.01 0.22 1.35 -1.81 -0.23 112.91 114.80 9hvp h THR 91 Ca 0.40 -1.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.06 9hvp h THR 91 Cb 0.15 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 9hvp h THR 91 CO -0.17 0.43 -0.00 1.56 -0.25 0.00 0.00 175.52 177.09 9hvp h GLN 92 N 0.96 -0.01 0.00 4.72 4.20 -1.38 -0.33 115.11 123.27 9hvp h GLN 92 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 9hvp h GLN 92 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 9hvp h GLN 92 CO 0.04 0.04 0.00 0.44 -0.67 0.00 0.00 178.83 178.68 9hvp n ILE 93 N -5.07 0.51 -2.36 2.54 -5.35 -0.38 -4.88 119.36 104.38 9hvp n ILE 93 Ca -0.07 0.13 -0.06 0.00 -0.27 0.00 0.00 62.75 62.48 9hvp n ILE 93 Cb 0.06 -0.90 0.01 0.00 -1.74 0.00 0.00 39.64 37.06 9hvp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 9hvp n GLY 94 N -0.13 0.28 3.83 3.28 0.00 -0.13 -5.04 105.19 107.27 9hvp n GLY 94 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 9hvp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9hvp s THR 96 N -2.15 0.00 0.00 0.00 -4.23 -1.26 -4.67 115.64 103.32 9hvp s THR 96 Ca 0.60 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.29 9hvp s THR 96 Cb -0.09 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 9hvp s THR 96 CO 0.14 0.00 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.94 9hvp s LEU 97 N -3.18 3.21 -0.07 4.79 2.96 -1.26 -5.11 118.68 120.02 9hvp s LEU 97 Ca 0.35 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 9hvp s LEU 97 Cb 0.04 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.91 9hvp s LEU 97 CO 0.15 0.28 0.18 0.21 -1.32 0.00 0.00 176.35 175.86 9hvp s ASN 98 N -1.43 -0.19 0.00 3.68 3.84 -1.26 -5.30 114.94 114.29 9hvp s ASN 98 Ca 0.17 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.61 9hvp s ASN 98 Cb -0.11 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.95 9hvp s ASN 98 CO 0.08 -0.07 0.00 2.22 -2.79 0.00 0.00 177.10 176.54