#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvr s GLN 2 N 0.00 3.89 -0.22 0.54 0.74 -1.26 -5.09 119.66 118.26 1hvr s GLN 2 Ca 0.00 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.00 1hvr s GLN 2 Cb 0.00 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 1hvr s GLN 2 CO 0.00 0.07 -0.04 0.08 -0.55 0.00 0.00 175.29 174.85 1hvr s VAL 3 N 0.95 3.35 0.67 1.34 1.01 -1.26 -5.10 120.40 121.36 1hvr s VAL 3 Ca 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1hvr s VAL 3 Cb -0.14 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1hvr s VAL 3 CO 0.03 0.42 0.95 0.42 0.00 0.00 0.00 175.10 176.92 1hvr s THR 4 N 1.48 2.37 -0.16 3.92 -4.23 -1.26 -5.02 115.64 112.74 1hvr s THR 4 Ca 0.06 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.35 1hvr s THR 4 Cb -0.14 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.04 1hvr s THR 4 CO -0.03 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.40 1hvr n LEU 5 N -2.78 2.42 0.24 4.79 4.77 -1.26 -4.54 117.00 120.63 1hvr n LEU 5 Ca 0.08 -3.36 0.16 0.00 -0.03 0.00 0.00 56.01 52.86 1hvr n LEU 5 Cb 0.60 -0.45 0.63 0.00 -2.33 0.00 0.00 43.42 41.87 1hvr n LEU 5 CO 0.50 0.98 0.96 -0.50 -1.33 0.00 0.00 177.39 178.00 1hvr h TRP 6 N 0.43 0.00 -2.76 -1.77 4.06 -2.06 -3.43 115.95 110.42 1hvr h TRP 6 Ca -0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 1hvr h TRP 6 Cb 1.03 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 1hvr h TRP 6 CO 0.32 0.00 -0.66 -0.65 -3.56 0.00 0.00 178.44 173.89 1hvr s GLN 7 N -3.57 1.55 0.23 0.49 -1.52 -1.26 -5.11 119.66 110.47 1hvr s GLN 7 Ca 0.02 -1.80 -0.32 0.00 -1.95 0.00 0.00 55.36 51.31 1hvr s GLN 7 Cb 0.09 -1.03 -0.13 0.00 -0.22 0.00 0.00 33.01 31.73 1hvr s GLN 7 CO 0.50 -0.03 1.56 0.54 -0.25 0.00 0.00 175.29 177.61 1hvr n ARG 8 N -0.59 2.41 -2.65 2.91 1.74 -1.26 -4.88 116.66 114.35 1hvr n ARG 8 Ca -0.05 0.86 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1hvr n ARG 8 Cb 0.64 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1hvr n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hvr s PRO 9 N 0.14 3.67 -0.10 5.56 0.04 -1.26 -4.96 135.00 138.09 1hvr s PRO 9 Ca 0.70 -1.42 -0.03 0.00 0.04 0.00 0.00 61.00 60.29 1hvr s PRO 9 Cb -0.58 -5.29 -0.03 0.00 0.04 0.00 0.00 34.50 28.64 1hvr s PRO 9 CO 0.43 -2.12 0.02 -1.17 0.04 0.00 0.00 177.00 174.21 1hvr s LEU 10 N 4.31 3.66 0.17 -3.56 2.96 -1.26 -0.48 118.68 124.48 1hvr s LEU 10 Ca 0.44 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1hvr s LEU 10 Cb -0.00 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1hvr s LEU 10 CO -0.07 0.35 -0.02 0.68 -1.32 0.00 0.00 176.35 175.97 1hvr s VAL 11 N -0.71 0.81 -0.10 1.68 -7.23 -0.73 -4.93 120.40 109.20 1hvr s VAL 11 Ca 0.11 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.06 1hvr s VAL 11 Cb -0.12 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1hvr s VAL 11 CO 0.02 -0.54 0.68 -0.89 -0.31 0.00 0.00 175.10 174.06 1hvr s THR 12 N -3.57 5.05 0.18 5.32 2.01 -1.26 -0.74 115.64 122.63 1hvr s THR 12 Ca 0.22 1.38 0.11 0.00 0.31 0.00 0.00 61.69 63.71 1hvr s THR 12 Cb 0.05 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1hvr s THR 12 CO 0.03 0.23 -0.23 0.27 -0.69 0.00 0.00 174.62 174.23 1hvr s ILE 13 N 1.01 2.24 -0.13 1.82 -4.36 0.19 -4.57 121.20 117.40 1hvr s ILE 13 Ca 0.35 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1hvr s ILE 13 Cb -0.17 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1hvr s ILE 13 CO 0.16 -0.14 -0.20 -0.75 0.24 0.00 0.00 174.94 174.25 1hvr s LYS 14 N -2.63 2.82 -0.07 0.37 2.20 0.31 -1.61 119.74 121.13 1hvr s LYS 14 Ca 0.19 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1hvr s LYS 14 Cb -0.08 -2.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.98 1hvr s LYS 14 CO 0.09 -0.02 0.16 -1.50 -0.36 0.00 0.00 175.35 173.72 1hvr s ILE 15 N 0.84 -0.04 -1.42 5.43 2.07 -0.56 -1.09 121.20 126.44 1hvr s ILE 15 Ca -0.07 0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.20 1hvr s ILE 15 Cb -0.15 -0.25 0.04 0.00 0.13 0.00 0.00 42.46 42.22 1hvr s ILE 15 CO -0.01 0.06 1.07 0.61 -1.91 0.00 0.00 174.94 174.75 1hvr n GLY 16 N 3.93 -0.50 3.79 1.50 0.00 -1.26 -0.88 105.19 111.78 1hvr n GLY 16 Ca -0.23 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hvr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvr n GLY 17 N -1.81 0.44 3.82 -0.02 0.00 -1.26 -4.99 105.19 101.38 1hvr n GLY 17 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1hvr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvr s GLN 18 N -0.55 2.97 -0.10 1.61 -0.21 -0.06 -5.11 119.66 118.21 1hvr s GLN 18 Ca 0.00 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.46 1hvr s GLN 18 Cb 0.00 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1hvr s GLN 18 CO 0.00 0.46 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.09 1hvr s LEU 19 N -3.37 3.37 0.06 2.90 1.43 -1.26 -1.49 118.68 120.31 1hvr s LEU 19 Ca 0.32 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1hvr s LEU 19 Cb -0.09 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1hvr s LEU 19 CO 0.24 0.32 0.15 -0.54 0.23 0.00 0.00 176.35 176.75 1hvr s LYS 20 N -0.54 0.73 0.09 1.70 1.02 -0.63 -5.00 119.74 117.11 1hvr s LYS 20 Ca 0.09 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.27 1hvr s LYS 20 Cb -0.12 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1hvr s LYS 20 CO 0.02 -0.21 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.97 1hvr s GLU 21 N -3.28 2.31 0.02 1.68 2.02 -1.26 0.52 118.70 120.71 1hvr s GLU 21 Ca 0.01 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.02 1hvr s GLU 21 Cb 0.02 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1hvr s GLU 21 CO -0.08 0.53 0.08 0.00 0.02 0.00 0.00 175.26 175.81 1hvr s ALA 22 N -1.22 -0.12 -0.10 5.21 0.00 0.08 -4.59 121.76 121.01 1hvr s ALA 22 Ca 0.22 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 1hvr s ALA 22 Cb -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1hvr s ALA 22 CO 0.14 -0.23 0.81 -1.17 0.00 0.00 0.00 175.76 175.31 1hvr s LEU 23 N -1.65 4.26 -0.32 0.00 2.96 0.21 -1.78 118.68 122.36 1hvr s LEU 23 Ca -0.12 1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1hvr s LEU 23 Cb -0.06 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1hvr s LEU 23 CO -0.01 -0.27 1.20 -0.76 -1.32 0.00 0.00 176.35 175.19 1hvr s LEU 24 N 1.45 3.88 -0.32 -0.68 1.43 0.37 -0.24 118.68 124.58 1hvr s LEU 24 Ca 0.40 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1hvr s LEU 24 Cb -0.18 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.60 1hvr s LEU 24 CO 0.17 -1.01 0.05 -0.62 0.23 0.00 0.00 176.35 175.17 1hvr s ASP 25 N 2.31 4.44 0.24 2.29 -1.08 0.10 -4.78 116.67 120.19 1hvr s ASP 25 Ca 0.51 -1.88 0.23 0.00 -0.52 0.00 0.00 52.55 50.89 1hvr s ASP 25 Cb -0.14 -1.33 0.95 0.00 -1.46 0.00 0.00 42.92 40.94 1hvr s ASP 25 CO 0.21 -0.37 1.70 0.35 0.52 0.00 0.00 175.17 177.57 1hvr n THR 26 N 4.49 0.83 0.39 1.71 -2.24 -1.26 -2.54 114.28 115.65 1hvr n THR 26 Ca 0.00 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1hvr n THR 26 Cb 0.42 -1.13 0.26 0.00 -2.10 0.00 0.00 70.33 67.78 1hvr n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1hvr h GLY 27 N 2.34 0.00 -6.72 3.38 0.00 -1.94 -3.46 103.07 96.68 1hvr h GLY 27 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1hvr h GLY 27 CO 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 176.54 176.02 1hvr s ALA 28 N -3.17 3.56 0.18 3.60 0.00 -1.05 -4.98 121.76 119.90 1hvr s ALA 28 Ca 0.08 -0.83 0.15 0.00 0.00 0.00 0.00 51.96 51.36 1hvr s ALA 28 Cb 0.08 -2.19 0.47 0.00 0.00 0.00 0.00 23.12 21.48 1hvr s ALA 28 CO 0.64 -0.06 1.64 -0.44 0.00 0.00 0.00 175.76 177.55 1hvr h ASP 29 N 7.20 0.00 -4.36 0.00 3.32 -1.87 0.17 116.42 120.88 1hvr h ASP 29 Ca -0.38 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.21 1hvr h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1hvr h ASP 29 CO 0.68 0.51 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.36 1hvr s ASP 30 N -6.60 1.91 -0.18 6.45 1.01 -1.26 -2.28 116.67 115.72 1hvr s ASP 30 Ca -0.00 -1.60 -0.11 0.00 0.71 0.00 0.00 52.55 51.55 1hvr s ASP 30 Cb 0.11 0.41 -0.05 0.00 1.01 0.00 0.00 42.92 44.40 1hvr s ASP 30 CO 0.73 -0.90 0.18 -0.89 0.21 0.00 0.00 175.17 174.49 1hvr s THR 31 N -3.47 5.39 -0.14 -1.27 2.01 -1.26 -3.37 115.64 113.52 1hvr s THR 31 Ca 0.33 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 1hvr s THR 31 Cb 0.04 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.08 1hvr s THR 31 CO 0.18 0.44 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 1hvr s VAL 32 N 0.27 1.21 0.14 3.82 1.01 -0.84 -1.11 120.40 124.90 1hvr s VAL 32 Ca 0.11 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1hvr s VAL 32 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1hvr s VAL 32 CO 0.00 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 174.78 1hvr s LEU 33 N 1.62 3.91 0.88 3.92 2.01 0.59 -1.71 118.68 129.90 1hvr s LEU 33 Ca 0.03 -0.04 -0.10 0.00 0.01 0.00 0.00 54.13 54.03 1hvr s LEU 33 Cb -0.14 -2.53 0.12 0.00 0.01 0.00 0.00 46.19 43.65 1hvr s LEU 33 CO -0.09 0.10 1.14 -0.70 1.01 0.00 0.00 176.35 177.81 1hvr s GLU 34 N -2.93 1.29 -0.10 1.70 -6.30 -1.26 -1.89 118.70 109.21 1hvr s GLU 34 Ca 0.31 1.50 -0.38 0.00 -2.50 0.00 0.00 54.97 53.91 1hvr s GLU 34 Cb -0.11 -1.76 -0.16 0.00 0.00 0.00 0.00 34.13 32.10 1hvr s GLU 34 CO 0.24 -2.42 1.59 0.39 0.02 0.00 0.00 175.26 175.08 1hvr n GLU 35 N -4.02 1.28 -3.54 4.30 -0.58 -1.09 -4.55 120.64 112.44 1hvr n GLU 35 Ca 0.12 0.47 -0.13 0.00 -0.42 0.00 0.00 57.16 57.19 1hvr n GLU 35 Cb 0.52 -2.15 -0.04 0.00 -0.57 0.00 0.00 31.44 29.20 1hvr n GLU 35 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1hvr s MET 36 N 2.24 1.10 -0.18 3.49 -2.45 -1.26 -5.04 119.30 117.20 1hvr s MET 36 Ca 0.91 -0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.99 1hvr s MET 36 Cb -0.98 0.50 -0.02 0.00 1.25 0.00 0.00 34.83 35.59 1hvr s MET 36 CO 0.56 -0.42 -0.05 -1.12 1.05 0.00 0.00 175.02 175.04 1hvr s SER 37 N -2.24 4.51 -0.08 1.11 0.01 -1.26 -5.01 113.70 110.74 1hvr s SER 37 Ca -0.03 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 1hvr s SER 37 Cb -0.00 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.52 1hvr s SER 37 CO -0.05 0.09 0.20 -0.22 0.41 0.00 0.00 173.24 173.66 1hvr s LEU 38 N 0.84 0.69 0.15 2.44 2.96 -1.26 -4.99 118.68 119.51 1hvr s LEU 38 Ca -0.01 0.41 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 1hvr s LEU 38 Cb -0.15 0.58 -0.07 0.00 0.50 0.00 0.00 46.19 47.05 1hvr s LEU 38 CO 0.01 -0.14 0.95 -2.16 -1.32 0.00 0.00 176.35 173.69 1hvr s PRO 39 N 1.01 4.75 0.00 0.98 0.04 -1.26 -4.94 135.00 135.57 1hvr s PRO 39 Ca -0.07 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1hvr s PRO 39 Cb -0.09 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1hvr s PRO 39 CO -0.06 0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1hvr n GLY 40 N 2.00 0.62 3.38 0.56 0.00 -1.26 -5.07 105.19 105.42 1hvr n GLY 40 Ca 0.01 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 1hvr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvr s ARG 41 N -1.92 1.41 0.22 1.61 3.00 -1.26 -5.14 118.95 116.87 1hvr s ARG 41 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 55.73 54.11 1hvr s ARG 41 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 34.95 33.30 1hvr s ARG 41 CO 0.00 0.36 0.57 1.67 0.00 0.00 0.00 175.30 177.91 1hvr s TRP 42 N -1.65 -0.09 0.20 -0.53 1.48 -1.26 -4.72 118.94 112.36 1hvr s TRP 42 Ca 0.17 -0.27 0.11 0.00 -1.06 0.00 0.00 56.10 55.06 1hvr s TRP 42 Cb -0.08 0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 32.65 1hvr s TRP 42 CO 0.08 -1.01 -0.24 0.15 -4.06 0.00 0.00 176.95 171.88 1hvr s LYS 43 N -3.90 1.54 0.31 3.25 1.02 -0.98 -4.90 119.74 116.08 1hvr s LYS 43 Ca 0.11 -1.54 -0.10 0.00 0.02 0.00 0.00 55.97 54.46 1hvr s LYS 43 Cb -0.02 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 1hvr s LYS 43 CO 0.01 0.39 0.65 -1.25 -0.92 0.00 0.00 175.35 174.24 1hvr s PRO 44 N -2.74 3.81 0.18 -1.68 0.04 -1.26 0.41 135.00 133.76 1hvr s PRO 44 Ca 0.22 0.36 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 1hvr s PRO 44 Cb -0.08 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1hvr s PRO 44 CO 0.10 0.16 0.44 0.21 0.04 0.00 0.00 177.00 177.95 1hvr s LYS 45 N -3.28 1.30 -0.05 4.56 2.47 -0.38 -4.89 119.74 119.46 1hvr s LYS 45 Ca 0.49 -0.98 0.03 0.00 -1.56 0.00 0.00 55.97 53.95 1hvr s LYS 45 Cb -0.11 0.47 0.01 0.00 -1.46 0.00 0.00 37.83 36.74 1hvr s LYS 45 CO 0.25 -0.53 -0.12 1.41 0.16 0.00 0.00 175.35 176.52 1hvr s MET 46 N -3.91 1.54 0.09 4.03 1.75 -1.26 0.08 119.30 121.61 1hvr s MET 46 Ca 0.12 -0.41 0.10 0.00 -1.25 0.00 0.00 55.69 54.25 1hvr s MET 46 Cb 0.01 -1.31 -0.03 0.00 2.84 0.00 0.00 34.83 36.33 1hvr s MET 46 CO -0.02 0.07 -0.26 0.96 -0.65 0.00 0.00 175.02 175.13 1hvr s ILE 47 N 0.50 2.11 -0.06 10.11 -4.36 0.07 -4.94 121.20 124.63 1hvr s ILE 47 Ca -0.11 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1hvr s ILE 47 Cb -0.14 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1hvr s ILE 47 CO 0.03 0.18 -0.08 -0.83 0.24 0.00 0.00 174.94 174.48 1hvr s GLY 48 N -1.69 1.67 0.00 6.27 0.00 -1.26 -1.42 107.32 110.90 1hvr s GLY 48 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1hvr s GLY 48 CO 0.04 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.07 1hvr n GLY 49 N 2.22 5.57 3.72 0.20 0.00 0.63 -4.98 105.19 112.55 1hvr n GLY 49 Ca -0.18 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1hvr n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hvr n ILE 50 N 0.00 0.16 0.00 -0.61 5.41 -1.26 -2.12 119.36 120.94 1hvr n ILE 50 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1hvr n ILE 50 Cb 0.00 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 1hvr n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hvr n GLY 51 N 3.61 3.08 0.00 7.39 0.00 -1.26 -4.89 105.19 113.12 1hvr n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1hvr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvr n GLY 52 N -0.76 0.45 3.30 -0.02 0.00 -0.90 -5.11 105.19 102.15 1hvr n GLY 52 Ca 0.00 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 1hvr n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hvr s PHE 53 N -0.24 1.86 0.13 1.61 -0.71 -1.26 -0.27 117.98 119.11 1hvr s PHE 53 Ca 0.00 -0.42 0.06 0.00 -1.04 0.00 0.00 56.93 55.54 1hvr s PHE 53 Cb 0.00 -1.01 -0.04 0.00 -1.21 0.00 0.00 43.02 40.76 1hvr s PHE 53 CO 0.00 0.23 -0.14 0.96 -1.34 0.00 0.00 175.22 174.93 1hvr s ILE 54 N -1.19 1.39 -0.07 -4.49 -4.36 -0.50 -4.93 121.20 107.04 1hvr s ILE 54 Ca 0.08 -1.77 -0.15 0.00 -0.26 0.00 0.00 60.65 58.55 1hvr s ILE 54 Cb -0.10 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 1hvr s ILE 54 CO 0.05 -0.43 0.38 -0.54 0.24 0.00 0.00 174.94 174.64 1hvr s LYS 55 N -2.77 4.05 0.18 0.37 1.02 -1.26 -0.75 119.74 120.58 1hvr s LYS 55 Ca 0.10 0.32 0.08 0.00 0.02 0.00 0.00 55.97 56.50 1hvr s LYS 55 Cb -0.04 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1hvr s LYS 55 CO 0.03 0.49 -0.17 0.14 -0.92 0.00 0.00 175.35 174.92 1hvr s VAL 56 N -0.38 1.84 -0.09 3.17 -7.23 0.11 -4.55 120.40 113.27 1hvr s VAL 56 Ca 0.22 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1hvr s VAL 56 Cb -0.15 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1hvr s VAL 56 CO 0.10 -0.40 0.07 0.00 -0.31 0.00 0.00 175.10 174.56 1hvr s ARG 57 N -3.09 3.19 -0.05 4.82 3.03 0.63 -1.24 118.95 126.24 1hvr s ARG 57 Ca 0.19 -0.31 0.07 0.00 2.03 0.00 0.00 55.73 57.71 1hvr s ARG 57 Cb -0.04 -2.97 -0.01 0.00 -1.03 0.00 0.00 34.95 30.90 1hvr s ARG 57 CO 0.07 0.73 -0.25 1.14 -1.13 0.00 0.00 175.30 175.86 1hvr s GLN 58 N -1.08 2.41 -0.06 3.89 -2.07 0.16 -0.76 119.66 122.16 1hvr s GLN 58 Ca 0.16 -0.90 0.04 0.00 -1.82 0.00 0.00 55.36 52.84 1hvr s GLN 58 Cb -0.12 -2.14 -0.00 0.00 -1.09 0.00 0.00 33.01 29.66 1hvr s GLN 58 CO 0.05 0.45 -0.20 0.71 -1.32 0.00 0.00 175.29 174.98 1hvr s TYR 59 N -0.33 2.03 0.33 9.60 1.51 -0.71 -2.31 117.35 127.47 1hvr s TYR 59 Ca 0.02 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1hvr s TYR 59 Cb -0.12 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1hvr s TYR 59 CO 0.02 -0.24 0.28 -0.51 -1.11 0.00 0.00 175.55 173.99 1hvr s ASP 60 N 0.11 5.29 -1.42 2.29 1.01 -1.26 -1.20 116.67 121.50 1hvr s ASP 60 Ca -0.08 -0.49 -0.09 0.00 0.71 0.00 0.00 52.55 52.61 1hvr s ASP 60 Cb -0.14 -0.99 0.04 0.00 1.01 0.00 0.00 42.92 42.84 1hvr s ASP 60 CO 0.04 -0.33 1.00 1.67 0.21 0.00 0.00 175.17 177.76 1hvr n GLN 61 N -1.36 -6.26 -3.57 8.23 -0.06 -1.03 -4.88 117.38 108.45 1hvr n GLN 61 Ca -0.02 0.69 -0.37 0.00 -2.00 0.00 0.00 57.00 55.29 1hvr n GLN 61 Cb 0.60 -5.59 -0.06 0.00 -4.06 0.00 0.00 30.24 21.12 1hvr n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1hvr s ILE 62 N -3.37 5.19 0.00 1.69 -1.09 0.60 -4.73 121.20 119.49 1hvr s ILE 62 Ca 0.48 0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 59.27 1hvr s ILE 62 Cb -0.23 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1hvr s ILE 62 CO 0.79 0.53 0.93 -0.22 -1.23 0.00 0.00 174.94 175.74 1hvr s LEU 63 N -0.65 4.37 -0.01 2.97 0.20 -1.26 -1.64 118.68 122.66 1hvr s LEU 63 Ca 0.21 1.59 0.05 0.00 0.69 0.00 0.00 54.13 56.67 1hvr s LEU 63 Cb -0.15 -3.49 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 1hvr s LEU 63 CO 0.09 -0.21 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.15 1hvr s ILE 64 N 0.86 1.30 -0.22 6.68 1.09 -0.46 -4.44 121.20 126.02 1hvr s ILE 64 Ca 0.49 -0.70 -0.03 0.00 -1.10 0.00 0.00 60.65 59.31 1hvr s ILE 64 Cb -0.21 -1.08 -0.00 0.00 -1.06 0.00 0.00 42.46 40.11 1hvr s ILE 64 CO 0.27 0.37 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.81 1hvr s GLU 65 N -0.36 3.27 -0.29 2.79 2.02 -0.25 -1.55 118.70 124.33 1hvr s GLU 65 Ca 0.06 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.44 1hvr s GLU 65 Cb -0.07 -2.99 0.49 0.00 0.10 0.00 0.00 34.13 31.66 1hvr s GLU 65 CO -0.01 -0.23 1.42 -0.89 0.02 0.00 0.00 175.26 175.57 1hvr n ILE 66 N 4.77 2.53 0.00 -1.63 -0.00 -1.26 -0.53 119.36 123.25 1hvr n ILE 66 Ca -0.18 -3.00 0.00 0.00 -0.00 0.00 0.00 62.75 59.57 1hvr n ILE 66 Cb 0.50 -0.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 1hvr n ILE 66 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1hvr n GLY 68 N -1.08 0.00 3.15 7.39 0.00 -1.26 -4.79 105.19 108.59 1hvr n GLY 68 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 1hvr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvr s HIS 69 N 0.00 1.83 0.34 1.61 4.02 -1.26 -5.16 115.29 116.67 1hvr s HIS 69 Ca 0.00 -0.56 -0.05 0.00 1.02 0.00 0.00 55.06 55.47 1hvr s HIS 69 Cb 0.00 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.58 30.28 1hvr s HIS 69 CO 0.00 -0.20 0.62 0.15 1.02 0.00 0.00 174.74 176.33 1hvr s LYS 70 N 0.09 3.62 0.20 1.40 1.02 -1.26 -4.33 119.74 120.47 1hvr s LYS 70 Ca -0.06 0.05 -0.19 0.00 0.02 0.00 0.00 55.97 55.79 1hvr s LYS 70 Cb -0.13 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1hvr s LYS 70 CO 0.03 0.10 0.56 0.00 -0.92 0.00 0.00 175.35 175.13 1hvr s ALA 71 N -2.26 -1.10 -0.05 5.17 0.00 -0.60 -4.82 121.76 118.10 1hvr s ALA 71 Ca 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1hvr s ALA 71 Cb -0.10 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1hvr s ALA 71 CO 0.33 -0.83 0.13 -1.50 0.00 0.00 0.00 175.76 173.89 1hvr s ILE 72 N -3.86 -0.03 -0.27 0.00 2.07 -1.26 -1.35 121.20 116.51 1hvr s ILE 72 Ca 0.08 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1hvr s ILE 72 Cb -0.02 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1hvr s ILE 72 CO -0.03 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1hvr n GLY 73 N 3.61 -1.14 3.72 1.50 0.00 -0.65 -4.85 105.19 107.38 1hvr n GLY 73 Ca -0.19 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1hvr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvr s THR 74 N -3.00 4.23 -0.07 2.61 2.01 -1.26 -0.29 115.64 119.87 1hvr s THR 74 Ca 0.00 1.75 0.04 0.00 0.31 0.00 0.00 61.69 63.79 1hvr s THR 74 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1hvr s THR 74 CO 0.00 0.22 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.27 1hvr s VAL 75 N 0.39 1.60 0.00 3.82 1.01 -0.34 -4.49 120.40 122.39 1hvr s VAL 75 Ca 0.52 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1hvr s VAL 75 Cb -0.27 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1hvr s VAL 75 CO 0.31 0.46 0.24 -0.76 0.00 0.00 0.00 175.10 175.34 1hvr s LEU 76 N 0.32 4.37 -0.01 3.92 1.02 -0.26 -1.73 118.68 126.30 1hvr s LEU 76 Ca -0.12 0.48 0.04 0.00 0.02 0.00 0.00 54.13 54.55 1hvr s LEU 76 Cb -0.15 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.40 1hvr s LEU 76 CO 0.05 0.26 -0.14 -0.69 0.02 0.00 0.00 176.35 175.85 1hvr s VAL 77 N -1.31 1.08 -2.30 -1.59 1.01 0.06 -0.30 120.40 117.06 1hvr s VAL 77 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1hvr s VAL 77 Cb -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1hvr s VAL 77 CO 0.17 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1hvr n GLY 78 N 2.74 -1.56 3.11 4.51 0.00 -0.79 -0.27 105.19 112.93 1hvr n GLY 78 Ca -0.14 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1hvr n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvr n PRO 79 N -0.18 3.26 -3.78 1.61 -0.04 -1.26 -2.67 135.00 131.93 1hvr n PRO 79 Ca 0.00 -3.28 -0.32 0.00 -0.04 0.00 0.00 63.50 59.86 1hvr n PRO 79 Cb 0.00 -3.18 -0.05 0.00 -0.04 0.00 0.00 33.50 30.24 1hvr n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvr s THR 80 N 2.27 5.29 -0.67 0.52 -1.32 -1.26 -5.00 115.64 115.47 1hvr s THR 80 Ca 0.46 -0.06 0.25 0.00 -1.21 0.00 0.00 61.69 61.13 1hvr s THR 80 Cb 0.07 -3.60 0.26 0.00 -1.51 0.00 0.00 72.50 67.72 1hvr s THR 80 CO -0.01 0.19 1.75 -0.81 -2.21 0.00 0.00 174.62 173.53 1hvr n PRO 81 N 0.52 0.21 -3.89 7.08 -0.04 -1.26 -4.59 135.00 133.03 1hvr n PRO 81 Ca -0.06 0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1hvr n PRO 81 Cb 0.52 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 1hvr n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hvr s VAL 82 N -3.17 0.04 -0.01 0.52 1.01 -1.26 -5.06 120.40 112.46 1hvr s VAL 82 Ca 0.08 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1hvr s VAL 82 Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1hvr s VAL 82 CO 0.51 -0.18 1.10 0.20 0.00 0.00 0.00 175.10 176.73 1hvr s ASN 83 N -0.53 7.19 -0.11 3.32 0.01 -1.26 -4.64 114.94 118.92 1hvr s ASN 83 Ca -0.06 1.78 0.04 0.00 -0.71 0.00 0.00 52.86 53.90 1hvr s ASN 83 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1hvr s ASN 83 CO -0.00 -0.43 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.30 1hvr s ILE 84 N 1.48 2.05 -0.36 0.60 1.01 -0.70 0.63 121.20 125.92 1hvr s ILE 84 Ca 0.54 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1hvr s ILE 84 Cb -0.24 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1hvr s ILE 84 CO 0.25 0.55 0.25 -0.63 0.00 0.00 0.00 174.94 175.37 1hvr s ILE 85 N 0.49 5.22 0.12 2.92 -1.09 0.66 -1.98 121.20 127.55 1hvr s ILE 85 Ca -0.15 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 1hvr s ILE 85 Cb -0.17 -3.74 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1hvr s ILE 85 CO 0.06 -0.08 0.15 0.61 -1.23 0.00 0.00 174.94 174.44 1hvr n GLY 86 N 5.11 2.30 0.25 6.18 0.00 -1.22 -0.72 105.19 117.10 1hvr n GLY 86 Ca -0.12 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 43.82 1hvr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvr h ARG 87 N 0.00 0.00 -0.59 1.61 3.08 -0.62 -1.59 114.38 116.27 1hvr h ARG 87 Ca -0.07 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.09 1hvr h ARG 87 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1hvr h ARG 87 CO 0.10 0.10 0.40 -2.95 -1.07 0.00 0.00 179.97 176.55 1hvr h ASN 88 N 0.00 0.30 0.01 7.04 -0.00 -1.71 -1.31 115.58 119.92 1hvr h ASN 88 Ca -0.00 0.01 -0.29 0.00 -0.00 0.00 0.00 56.30 56.01 1hvr h ASN 88 Cb 0.21 -0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 38.42 1hvr h ASN 88 CO 0.01 0.18 -2.30 0.18 -0.00 0.00 0.00 177.43 175.50 1hvr n LEU 89 N -4.46 0.01 -0.34 6.14 4.77 -0.68 -4.18 117.00 118.26 1hvr n LEU 89 Ca 0.10 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1hvr n LEU 89 Cb 0.42 0.39 0.19 0.00 -2.33 0.00 0.00 43.42 42.09 1hvr n LEU 89 CO 0.34 0.40 1.27 -0.07 -1.33 0.00 0.00 177.39 178.00 1hvr h LEU 90 N 0.00 1.01 -0.76 2.23 3.38 -0.81 0.17 115.31 120.53 1hvr h LEU 90 Ca -0.43 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.63 1hvr h LEU 90 Cb 1.99 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.44 1hvr h LEU 90 CO 0.02 0.68 0.39 0.74 0.09 0.00 0.00 178.44 180.36 1hvr h THR 91 N 1.16 0.84 -0.03 0.22 2.02 -1.46 0.82 112.91 116.49 1hvr h THR 91 Ca 0.39 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 1hvr h THR 91 Cb 0.08 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1hvr h THR 91 CO -0.13 0.12 -0.56 1.56 0.37 0.00 0.00 175.52 176.87 1hvr h GLN 92 N 0.65 0.09 -0.18 6.66 4.20 -0.87 -2.46 115.11 123.19 1hvr h GLN 92 Ca 0.38 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1hvr h GLN 92 Cb 0.42 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1hvr h GLN 92 CO -0.28 0.63 0.00 0.44 -0.67 0.00 0.00 178.83 178.95 1hvr n ILE 93 N -3.88 0.24 -2.71 2.54 -5.35 -0.72 -4.89 119.36 104.59 1hvr n ILE 93 Ca -0.02 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 1hvr n ILE 93 Cb 0.58 0.13 0.02 0.00 -1.74 0.00 0.00 39.64 38.62 1hvr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvr n GLY 94 N 0.85 -0.01 3.80 3.28 0.00 -0.93 -5.01 105.19 107.17 1hvr n GLY 94 Ca 0.08 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1hvr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvr s ALA 95 N -2.91 3.14 0.15 4.61 0.00 0.25 -5.01 121.76 121.98 1hvr s ALA 95 Ca 0.18 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1hvr s ALA 95 Cb -0.08 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1hvr s ALA 95 CO 0.22 0.16 -0.13 0.95 0.00 0.00 0.00 175.76 176.96 1hvr s THR 96 N -1.86 1.39 -0.10 0.00 -4.23 -1.26 -4.74 115.64 104.84 1hvr s THR 96 Ca 0.55 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1hvr s THR 96 Cb -0.14 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1hvr s THR 96 CO 0.19 -0.57 0.20 -0.76 -0.54 0.00 0.00 174.62 173.15 1hvr s LEU 97 N -2.90 4.39 -0.01 4.79 1.43 -1.26 -5.08 118.68 120.04 1hvr s LEU 97 Ca 0.15 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1hvr s LEU 97 Cb -0.01 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1hvr s LEU 97 CO 0.03 0.37 -0.02 0.20 0.23 0.00 0.00 176.35 177.16 1hvr s ASN 98 N -0.91 0.41 0.00 2.29 0.01 -1.26 -5.29 114.94 110.19 1hvr s ASN 98 Ca 0.17 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1hvr s ASN 98 Cb -0.13 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1hvr s ASN 98 CO 0.06 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.86