#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 3.26 -0.20 0.54 0.74 -1.26 -5.09 119.66 117.65 1hvr s GLN 2 Ca 0.00 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 55.02 1hvr s GLN 2 Cb 0.00 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.22 1hvr s GLN 2 CO 0.00 0.59 -0.14 0.08 -0.55 0.00 0.00 175.29 175.27 1hvr s VAL 3 N -0.55 2.52 0.42 1.34 1.01 -1.26 -5.11 120.40 118.78 1hvr s VAL 3 Ca 0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1hvr s VAL 3 Cb -0.12 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1hvr s VAL 3 CO 0.02 0.45 0.70 0.42 0.00 0.00 0.00 175.10 176.69 1hvr s THR 4 N 1.34 4.97 -0.43 3.92 -4.23 -1.26 -5.00 115.64 114.95 1hvr s THR 4 Ca 0.04 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1hvr s THR 4 Cb -0.14 -3.85 0.53 0.00 1.34 0.00 0.00 72.50 70.38 1hvr s THR 4 CO -0.09 -0.71 1.68 0.18 -0.54 0.00 0.00 174.62 175.14 1hvr n LEU 5 N -1.98 5.80 0.14 4.79 7.99 -1.26 -4.32 117.00 128.17 1hvr n LEU 5 Ca -0.01 -4.01 0.12 0.00 -0.01 0.00 0.00 56.01 52.10 1hvr n LEU 5 Cb 0.55 -0.73 0.27 0.00 -0.11 0.00 0.00 43.42 43.40 1hvr n LEU 5 CO 0.51 1.39 0.75 -0.50 -1.51 0.00 0.00 177.39 178.04 1hvr h TRP 6 N 1.42 0.00 -2.64 -1.77 4.06 -2.06 -3.45 115.95 111.52 1hvr h TRP 6 Ca 0.45 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.78 1hvr h TRP 6 Cb 1.75 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.76 1hvr h TRP 6 CO 1.26 0.00 -0.74 1.14 -3.56 0.00 0.00 178.44 176.54 1hvr s GLN 7 N -3.17 1.87 0.22 0.49 1.03 -1.26 -5.09 119.66 113.75 1hvr s GLN 7 Ca 0.08 -1.51 -0.32 0.00 0.04 0.00 0.00 55.36 53.65 1hvr s GLN 7 Cb 0.09 -1.97 -0.13 0.00 0.03 0.00 0.00 33.01 31.04 1hvr s GLN 7 CO 0.65 0.38 1.61 0.54 -2.54 0.00 0.00 175.29 175.93 1hvr n ARG 8 N -0.31 2.50 -2.37 9.60 1.74 -1.26 -4.84 116.66 121.72 1hvr n ARG 8 Ca -0.08 0.90 -0.36 0.00 -0.77 0.00 0.00 57.85 57.53 1hvr n ARG 8 Cb 0.58 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.30 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 0.47 3.27 -0.01 5.56 0.04 -1.26 -4.94 135.00 138.14 1hvr s PRO 9 Ca 0.72 -1.09 -0.02 0.00 0.04 0.00 0.00 61.00 60.66 1hvr s PRO 9 Cb -0.57 -5.31 -0.04 0.00 0.04 0.00 0.00 34.50 28.63 1hvr s PRO 9 CO 0.40 -2.73 0.14 -0.51 0.04 0.00 0.00 177.00 174.34 1hvr s LEU 10 N 6.85 4.17 0.11 -3.56 1.43 -1.26 0.06 118.68 126.48 1hvr s LEU 10 Ca 0.56 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1hvr s LEU 10 Cb -0.01 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1hvr s LEU 10 CO -0.01 0.27 -0.08 0.54 0.23 0.00 0.00 176.35 177.30 1hvr s VAL 11 N -1.25 0.87 0.07 -1.59 0.11 0.81 -4.93 120.40 114.49 1hvr s VAL 11 Ca 0.25 -1.85 -0.28 0.00 -2.93 0.00 0.00 61.98 57.16 1hvr s VAL 11 Cb -0.12 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 1hvr s VAL 11 CO 0.16 -0.74 0.90 0.42 -3.33 0.00 0.00 175.10 172.51 1hvr s THR 12 N -3.15 4.63 0.19 5.04 -4.23 -1.26 -1.26 115.64 115.59 1hvr s THR 12 Ca 0.10 1.93 0.11 0.00 -1.18 0.00 0.00 61.69 62.65 1hvr s THR 12 Cb 0.02 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.56 1hvr s THR 12 CO -0.02 0.31 -0.24 0.27 -0.54 0.00 0.00 174.62 174.40 1hvr s ILE 13 N 0.13 2.37 -0.07 2.99 -4.36 0.26 -4.45 121.20 118.07 1hvr s ILE 13 Ca 0.45 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 58.89 1hvr s ILE 13 Cb -0.22 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1hvr s ILE 13 CO 0.27 -0.09 -0.18 -0.75 0.24 0.00 0.00 174.94 174.43 1hvr s LYS 14 N -2.60 2.72 -0.15 0.37 2.20 0.28 -1.10 119.74 121.45 1hvr s LYS 14 Ca 0.20 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.91 1hvr s LYS 14 Cb -0.08 -2.35 0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1hvr s LYS 14 CO 0.10 0.43 0.39 0.42 -0.36 0.00 0.00 175.35 176.33 1hvr s ILE 15 N -0.26 -0.01 -1.96 5.43 1.09 -0.62 -0.69 121.20 124.19 1hvr s ILE 15 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.58 1hvr s ILE 15 Cb -0.13 -0.56 0.00 0.00 -1.06 0.00 0.00 42.46 40.71 1hvr s ILE 15 CO 0.03 0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.49 1hvr n GLY 16 N 3.26 0.64 3.25 6.18 0.00 -1.26 -1.13 105.19 116.14 1hvr n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.72 0.89 3.75 -0.02 0.00 -1.26 -5.00 105.19 102.83 1hvr n GLY 17 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.22 2.77 -0.17 1.61 -0.21 -0.28 -5.10 119.66 118.06 1hvr s GLN 18 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 1hvr s GLN 18 Cb 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 1hvr s GLN 18 CO 0.00 0.53 0.04 -0.51 -2.12 0.00 0.00 175.29 173.23 1hvr s LEU 19 N -2.59 3.68 0.18 2.90 1.02 -1.26 -1.58 118.68 121.02 1hvr s LEU 19 Ca 0.29 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.49 1hvr s LEU 19 Cb -0.11 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.14 1hvr s LEU 19 CO 0.21 0.19 0.04 -0.54 0.02 0.00 0.00 176.35 176.28 1hvr s LYS 20 N 0.25 1.13 0.20 1.70 3.01 -0.26 -4.99 119.74 120.78 1hvr s LYS 20 Ca 0.02 -1.56 0.10 0.00 -1.01 0.00 0.00 55.97 53.53 1hvr s LYS 20 Cb -0.13 -0.11 -0.04 0.00 -1.01 0.00 0.00 37.83 36.54 1hvr s LYS 20 CO 0.01 -0.21 -0.17 -1.21 0.51 0.00 0.00 175.35 174.28 1hvr s GLU 21 N -3.99 1.77 0.05 1.68 2.02 -1.26 -0.57 118.70 118.40 1hvr s GLU 21 Ca 0.28 -1.46 -0.12 0.00 0.02 0.00 0.00 54.97 53.69 1hvr s GLU 21 Cb 0.07 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.35 1hvr s GLU 21 CO 0.06 0.40 0.26 0.00 0.02 0.00 0.00 175.26 176.00 1hvr s ALA 22 N -1.81 -0.55 -0.03 5.21 0.00 -0.39 -4.51 121.76 119.69 1hvr s ALA 22 Ca 0.24 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1hvr s ALA 22 Cb -0.08 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1hvr s ALA 22 CO 0.13 -0.41 0.62 -1.17 0.00 0.00 0.00 175.76 174.92 1hvr s LEU 23 N -2.17 4.38 -0.24 0.00 2.96 0.05 -0.13 118.68 123.53 1hvr s LEU 23 Ca -0.04 1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 54.74 1hvr s LEU 23 Cb -0.00 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1hvr s LEU 23 CO -0.04 0.03 0.94 -0.76 -1.32 0.00 0.00 176.35 175.20 1hvr s LEU 24 N 0.16 4.09 -0.30 -0.68 1.43 0.11 -0.83 118.68 122.66 1hvr s LEU 24 Ca 0.32 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1hvr s LEU 24 Cb -0.18 -3.37 0.09 0.00 0.03 0.00 0.00 46.19 42.77 1hvr s LEU 24 CO 0.17 -0.60 0.08 -0.62 0.23 0.00 0.00 176.35 175.60 1hvr s ASP 25 N 1.28 4.03 0.52 2.29 -1.08 -0.25 -4.77 116.67 118.68 1hvr s ASP 25 Ca 0.40 -1.61 0.29 0.00 -0.52 0.00 0.00 52.55 51.11 1hvr s ASP 25 Cb -0.15 -0.97 1.38 0.00 -1.46 0.00 0.00 42.92 41.72 1hvr s ASP 25 CO 0.07 -0.39 2.02 0.71 0.52 0.00 0.00 175.17 178.09 1hvr h THR 26 N 6.52 0.39 -0.00 1.71 1.35 -1.95 -2.80 112.91 118.14 1hvr h THR 26 Ca -0.13 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1hvr h THR 26 Cb 1.03 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1hvr h THR 26 CO 0.46 0.11 -0.13 0.61 -0.25 0.00 0.00 175.52 176.33 1hvr n GLY 27 N -0.35 -1.36 3.68 5.82 0.00 -1.26 -4.77 105.19 106.95 1hvr n GLY 27 Ca -0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1hvr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvr s ALA 28 N -2.91 3.63 0.20 4.61 0.00 -1.05 -4.95 121.76 121.29 1hvr s ALA 28 Ca 0.16 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 1hvr s ALA 28 Cb 0.19 -2.29 0.15 0.00 0.00 0.00 0.00 23.12 21.18 1hvr s ALA 28 CO 0.56 -0.09 1.54 -0.44 0.00 0.00 0.00 175.76 177.33 1hvr h ASP 29 N 7.26 0.61 -2.88 0.00 3.32 -1.86 0.22 116.42 123.10 1hvr h ASP 29 Ca -0.39 -0.30 -0.54 0.00 0.02 0.00 0.00 57.03 55.82 1hvr h ASP 29 Cb 1.16 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 1hvr h ASP 29 CO 0.69 1.00 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.84 1hvr s ASP 30 N -6.89 2.78 -0.16 6.45 1.01 -1.26 -1.61 116.67 116.99 1hvr s ASP 30 Ca -0.07 -1.56 -0.12 0.00 0.71 0.00 0.00 52.55 51.50 1hvr s ASP 30 Cb 0.12 0.28 -0.05 0.00 1.01 0.00 0.00 42.92 44.28 1hvr s ASP 30 CO 0.83 -0.80 0.25 -0.89 0.21 0.00 0.00 175.17 174.77 1hvr s THR 31 N -3.20 5.33 -0.09 -1.27 2.01 -1.26 -3.53 115.64 113.63 1hvr s THR 31 Ca 0.27 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1hvr s THR 31 Cb 0.05 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1hvr s THR 31 CO 0.14 0.43 -0.10 0.54 -0.69 0.00 0.00 174.62 174.94 1hvr s VAL 32 N 0.24 1.08 0.03 3.82 0.11 -0.78 -1.23 120.40 123.68 1hvr s VAL 32 Ca 0.15 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 1hvr s VAL 32 Cb -0.13 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 1hvr s VAL 32 CO 0.03 0.36 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.24 1hvr s LEU 33 N 1.18 2.72 1.02 2.54 1.02 0.35 -1.31 118.68 126.21 1hvr s LEU 33 Ca -0.05 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.60 1hvr s LEU 33 Cb -0.14 -1.58 0.14 0.00 0.02 0.00 0.00 46.19 44.62 1hvr s LEU 33 CO -0.02 0.26 0.67 -0.62 0.02 0.00 0.00 176.35 176.65 1hvr n GLU 34 N 1.54 -1.06 -1.57 1.70 1.02 -1.25 -0.13 120.64 120.88 1hvr n GLU 34 Ca -0.16 -0.27 -0.62 0.00 -0.02 0.00 0.00 57.16 56.09 1hvr n GLU 34 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 1hvr n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1hvr n GLU 35 N -3.19 0.00 -3.83 3.49 4.07 -1.03 -4.42 120.64 115.73 1hvr n GLU 35 Ca 0.06 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.07 1hvr n GLU 35 Cb 0.55 -1.40 -0.07 0.00 -0.06 0.00 0.00 31.44 30.46 1hvr n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1hvr s MET 36 N 3.13 0.85 -0.56 5.31 -1.94 -1.26 -5.03 119.30 119.79 1hvr s MET 36 Ca 0.99 -0.89 -0.28 0.00 -1.71 0.00 0.00 55.69 53.80 1hvr s MET 36 Cb -1.40 0.35 0.03 0.00 2.01 0.00 0.00 34.83 35.82 1hvr s MET 36 CO 0.75 -0.27 1.21 -1.54 -0.01 0.00 0.00 175.02 175.15 1hvr s SER 37 N -2.75 6.45 -0.14 3.03 1.04 -1.26 -5.03 113.70 115.05 1hvr s SER 37 Ca 0.03 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1hvr s SER 37 Cb 0.04 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1hvr s SER 37 CO -0.10 -1.47 -0.16 -0.76 0.98 0.00 0.00 173.24 171.73 1hvr s LEU 38 N 4.97 2.48 -0.66 2.42 1.43 -1.26 -4.91 118.68 123.16 1hvr s LEU 38 Ca 0.45 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1hvr s LEU 38 Cb -0.08 -1.55 -0.12 0.00 0.03 0.00 0.00 46.19 44.47 1hvr s LEU 38 CO 0.26 0.12 2.51 -0.81 0.23 0.00 0.00 176.35 178.67 1hvr n PRO 39 N 3.80 0.70 -3.82 1.29 -0.04 -1.26 -4.80 135.00 130.87 1hvr n PRO 39 Ca -0.19 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1hvr n PRO 39 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1hvr n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hvr n GLY 40 N 6.17 -0.65 3.90 0.55 0.00 -1.26 -5.10 105.19 108.81 1hvr n GLY 40 Ca 0.47 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1hvr n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hvr s ARG 41 N -1.65 2.51 0.15 1.61 3.03 -1.26 -5.15 118.95 118.18 1hvr s ARG 41 Ca 0.00 -1.57 -0.14 0.00 2.03 0.00 0.00 55.73 56.04 1hvr s ARG 41 Cb 0.00 -2.39 0.02 0.00 -1.03 0.00 0.00 34.95 31.55 1hvr s ARG 41 CO 0.00 -0.29 0.39 1.67 -1.13 0.00 0.00 175.30 175.94 1hvr s TRP 42 N -2.51 -0.04 -0.05 5.89 1.48 -1.26 -4.65 118.94 117.80 1hvr s TRP 42 Ca 0.48 -0.31 0.03 0.00 -1.06 0.00 0.00 56.10 55.24 1hvr s TRP 42 Cb -0.04 0.20 -0.03 0.00 -1.16 0.00 0.00 33.47 32.45 1hvr s TRP 42 CO 0.28 -0.74 -0.13 0.15 -4.06 0.00 0.00 176.95 172.45 1hvr s LYS 43 N -3.86 2.57 0.33 3.25 -0.14 0.24 -4.89 119.74 117.24 1hvr s LYS 43 Ca 0.07 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.72 1hvr s LYS 43 Cb 0.02 -2.42 -0.10 0.00 -1.68 0.00 0.00 37.83 33.65 1hvr s LYS 43 CO -0.07 0.62 1.27 -2.14 -0.76 0.00 0.00 175.35 174.27 1hvr s PRO 44 N -0.71 4.39 0.04 -1.68 0.02 -1.26 0.76 135.00 136.55 1hvr s PRO 44 Ca 0.11 2.15 -0.08 0.00 0.02 0.00 0.00 61.00 63.20 1hvr s PRO 44 Cb -0.11 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 1hvr s PRO 44 CO 0.01 -0.13 0.15 0.21 -0.33 0.00 0.00 177.00 176.91 1hvr s LYS 45 N -1.76 0.66 0.06 5.54 2.47 0.65 -4.85 119.74 122.50 1hvr s LYS 45 Ca 0.48 -0.71 0.09 0.00 -1.56 0.00 0.00 55.97 54.27 1hvr s LYS 45 Cb -0.38 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.22 1hvr s LYS 45 CO 0.51 -0.18 -0.22 -1.64 0.16 0.00 0.00 175.35 173.98 1hvr s MET 46 N -2.67 1.85 0.15 4.03 -1.94 -1.26 0.32 119.30 119.78 1hvr s MET 46 Ca -0.04 -1.10 0.07 0.00 -1.71 0.00 0.00 55.69 52.91 1hvr s MET 46 Cb -0.01 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 1hvr s MET 46 CO -0.05 0.51 -0.15 0.96 -0.01 0.00 0.00 175.02 176.29 1hvr s ILE 47 N -0.92 1.51 -0.01 2.53 -4.36 0.98 -4.94 121.20 115.99 1hvr s ILE 47 Ca 0.14 -1.90 0.06 0.00 -0.26 0.00 0.00 60.65 58.69 1hvr s ILE 47 Cb -0.10 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 1hvr s ILE 47 CO 0.05 -0.46 -0.18 -0.83 0.24 0.00 0.00 174.94 173.76 1hvr s GLY 48 N -2.74 1.51 0.00 6.27 0.00 -1.26 -0.20 107.32 110.89 1hvr s GLY 48 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1hvr s GLY 48 CO 0.04 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.82 1hvr n GLY 49 N 2.00 5.80 0.19 0.20 0.00 0.43 -4.98 105.19 108.82 1hvr n GLY 49 Ca -0.16 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1hvr n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hvr h ILE 50 N 0.00 1.11 -0.30 -0.61 6.09 -2.03 -3.13 117.51 118.63 1hvr h ILE 50 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1hvr h ILE 50 Cb 0.00 0.48 0.00 0.00 0.47 0.00 0.00 36.82 37.77 1hvr h ILE 50 CO 0.00 0.11 0.00 0.61 -3.07 0.00 0.00 178.15 175.80 1hvr n GLY 51 N -1.20 1.57 0.00 8.18 0.00 -1.26 -5.05 105.19 107.42 1hvr n GLY 51 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.46 0.35 3.65 -0.02 0.00 -1.19 -5.10 105.19 104.35 1hvr n GLY 52 Ca 0.18 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1hvr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvr s PHE 53 N -3.17 3.04 0.21 1.61 0.40 -1.26 -0.43 117.98 118.38 1hvr s PHE 53 Ca 0.00 0.07 0.11 0.00 -0.60 0.00 0.00 56.93 56.52 1hvr s PHE 53 Cb 0.00 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.80 1hvr s PHE 53 CO 0.00 0.43 -0.23 0.96 0.70 0.00 0.00 175.22 177.08 1hvr s ILE 54 N -0.99 2.35 -0.23 0.64 -4.36 0.72 -4.94 121.20 114.39 1hvr s ILE 54 Ca 0.17 -2.10 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 1hvr s ILE 54 Cb -0.11 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 1hvr s ILE 54 CO 0.07 -0.18 0.22 -0.75 0.24 0.00 0.00 174.94 174.53 1hvr s LYS 55 N -2.84 4.11 0.27 0.37 2.20 -1.26 -0.01 119.74 122.57 1hvr s LYS 55 Ca 0.22 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.75 1hvr s LYS 55 Cb -0.07 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1hvr s LYS 55 CO 0.11 0.06 -0.06 0.14 -0.36 0.00 0.00 175.35 175.23 1hvr s VAL 56 N 1.04 1.64 -0.23 4.02 -7.23 0.15 -4.57 120.40 115.23 1hvr s VAL 56 Ca 0.10 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 1hvr s VAL 56 Cb -0.14 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1hvr s VAL 56 CO 0.05 -0.32 0.10 -0.13 -0.31 0.00 0.00 175.10 174.48 1hvr s ARG 57 N -3.72 3.89 -0.17 4.82 0.52 -0.27 -0.26 118.95 123.76 1hvr s ARG 57 Ca 0.29 -0.37 -0.24 0.00 -0.52 0.00 0.00 55.73 54.89 1hvr s ARG 57 Cb 0.03 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 1hvr s ARG 57 CO 0.11 0.03 0.78 -1.14 0.02 0.00 0.00 175.30 175.11 1hvr s GLN 58 N 1.06 4.29 0.01 3.54 0.74 0.23 -0.67 119.66 128.85 1hvr s GLN 58 Ca 0.05 0.93 0.07 0.00 0.05 0.00 0.00 55.36 56.46 1hvr s GLN 58 Cb -0.14 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 1hvr s GLN 58 CO 0.04 -0.29 -0.21 0.71 -0.55 0.00 0.00 175.29 174.99 1hvr s TYR 59 N 2.03 2.49 0.34 1.67 1.51 -0.29 -0.60 117.35 124.51 1hvr s TYR 59 Ca 0.36 -0.31 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1hvr s TYR 59 Cb -0.16 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1hvr s TYR 59 CO 0.12 0.15 0.12 -0.51 -1.11 0.00 0.00 175.55 174.33 1hvr s ASP 60 N -1.06 4.60 -1.41 2.29 1.01 -1.26 -1.34 116.67 119.50 1hvr s ASP 60 Ca 0.12 -0.81 -0.05 0.00 0.71 0.00 0.00 52.55 52.52 1hvr s ASP 60 Cb -0.10 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.14 1hvr s ASP 60 CO 0.02 -0.30 0.33 0.00 0.21 0.00 0.00 175.17 175.43 1hvr n GLN 61 N -1.12 -2.01 -3.75 8.23 1.13 -1.21 -4.92 117.38 113.72 1hvr n GLN 61 Ca -0.03 0.27 -0.37 0.00 -1.94 0.00 0.00 57.00 54.93 1hvr n GLN 61 Cb 0.61 -3.97 -0.06 0.00 0.11 0.00 0.00 30.24 26.93 1hvr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvr s ILE 62 N -4.03 5.38 -0.02 5.09 -1.09 -0.23 -4.78 121.20 121.52 1hvr s ILE 62 Ca 0.09 0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 58.68 1hvr s ILE 62 Cb -0.04 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1hvr s ILE 62 CO 0.93 0.56 0.53 -0.22 -1.23 0.00 0.00 174.94 175.51 1hvr s LEU 63 N -0.68 4.40 0.05 2.97 2.96 -1.26 -2.07 118.68 125.06 1hvr s LEU 63 Ca 0.16 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1hvr s LEU 63 Cb -0.13 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 1hvr s LEU 63 CO 0.05 0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.46 1hvr s ILE 64 N -0.23 0.90 -0.18 6.68 1.01 -0.56 -4.41 121.20 124.40 1hvr s ILE 64 Ca 0.28 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1hvr s ILE 64 Cb -0.17 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1hvr s ILE 64 CO 0.15 -0.20 -0.15 -1.61 0.00 0.00 0.00 174.94 173.13 1hvr s GLU 65 N -1.46 2.46 -0.13 2.79 2.02 0.13 -2.08 118.70 122.42 1hvr s GLU 65 Ca -0.03 -0.81 0.15 0.00 0.02 0.00 0.00 54.97 54.30 1hvr s GLU 65 Cb -0.09 -2.42 0.45 0.00 0.10 0.00 0.00 34.13 32.16 1hvr s GLU 65 CO 0.01 -0.31 1.35 -0.89 0.02 0.00 0.00 175.26 175.44 1hvr n ILE 66 N 4.66 1.96 0.00 -1.63 5.41 -1.26 -0.56 119.36 127.95 1hvr n ILE 66 Ca -0.17 -1.73 0.00 0.00 1.00 0.00 0.00 62.75 61.85 1hvr n ILE 66 Cb 0.48 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 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 -0.41 0.22 3.08 7.39 0.00 -1.26 -4.76 105.19 109.45 1hvr n GLY 68 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 0.88 2.23 0.18 1.61 4.02 -1.26 -5.11 115.29 117.84 1hvr s HIS 69 Ca 0.00 -1.13 -0.17 0.00 1.02 0.00 0.00 55.06 54.78 1hvr s HIS 69 Cb 0.00 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.58 29.90 1hvr s HIS 69 CO 0.00 -0.57 0.62 0.15 1.02 0.00 0.00 174.74 175.96 1hvr s LYS 70 N 1.06 4.09 0.00 1.40 1.02 -1.26 -4.24 119.74 121.82 1hvr s LYS 70 Ca -0.04 0.65 -0.04 0.00 0.02 0.00 0.00 55.97 56.56 1hvr s LYS 70 Cb -0.15 -2.92 -0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1hvr s LYS 70 CO -0.04 0.45 0.07 0.00 -0.92 0.00 0.00 175.35 174.91 1hvr s ALA 71 N -1.48 -0.15 -0.03 5.17 0.00 -0.89 -4.88 121.76 119.50 1hvr s ALA 71 Ca 0.40 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1hvr s ALA 71 Cb -0.16 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1hvr s ALA 71 CO 0.20 -0.16 -0.22 0.42 0.00 0.00 0.00 175.76 176.00 1hvr s ILE 72 N -1.14 1.76 -1.53 0.00 1.01 -1.26 -1.50 121.20 118.54 1hvr s ILE 72 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1hvr s ILE 72 Cb -0.07 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1hvr s ILE 72 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1hvr n GLY 73 N 2.73 -1.31 3.73 6.18 0.00 -0.88 -4.88 105.19 110.76 1hvr n GLY 73 Ca -0.16 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.93 4.72 -0.05 2.61 2.01 -1.26 -1.07 115.64 119.67 1hvr s THR 74 Ca 0.00 1.82 0.03 0.00 0.31 0.00 0.00 61.69 63.85 1hvr s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1hvr s THR 74 CO 0.00 0.30 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 1hvr s VAL 75 N 0.26 1.21 -0.15 3.82 1.01 -0.45 -4.43 120.40 121.68 1hvr s VAL 75 Ca 0.43 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1hvr s VAL 75 Cb -0.21 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1hvr s VAL 75 CO 0.25 0.36 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1hvr s LEU 76 N 0.35 4.01 -0.03 3.92 1.43 -0.37 -1.13 118.68 126.86 1hvr s LEU 76 Ca -0.09 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1hvr s LEU 76 Cb -0.13 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1hvr s LEU 76 CO 0.03 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.00 1hvr s VAL 77 N -0.23 2.66 -0.02 -1.59 1.01 0.15 -0.49 120.40 121.90 1hvr s VAL 77 Ca 0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1hvr s VAL 77 Cb -0.12 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1hvr s VAL 77 CO 0.01 0.55 0.28 0.61 0.00 0.00 0.00 175.10 176.56 1hvr n GLY 78 N 2.26 0.38 2.70 4.51 0.00 0.81 -1.12 105.19 114.74 1hvr n GLY 78 Ca -0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.20 3.75 -3.26 1.61 -0.04 -1.26 -2.48 135.00 133.11 1hvr n PRO 79 Ca 0.01 -3.25 -0.34 0.00 -0.04 0.00 0.00 63.50 59.89 1hvr n PRO 79 Cb 0.12 -2.90 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 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 0.59 4.77 -0.10 0.52 -1.32 -1.26 -4.96 115.64 113.89 1hvr s THR 80 Ca 0.47 0.84 0.30 0.00 -1.21 0.00 0.00 61.69 62.09 1hvr s THR 80 Cb 0.13 -3.69 0.32 0.00 -1.51 0.00 0.00 72.50 67.76 1hvr s THR 80 CO -0.04 0.02 1.89 -0.65 -2.21 0.00 0.00 174.62 173.63 1hvr h PRO 81 N 2.85 0.00 -3.09 7.08 0.11 -1.98 -3.43 132.00 133.54 1hvr h PRO 81 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1hvr h PRO 81 Cb 1.18 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.09 1hvr h PRO 81 CO 0.66 0.00 -0.31 0.54 -0.21 0.00 0.00 178.00 178.69 1hvr s VAL 82 N -3.57 0.06 -0.02 3.15 0.11 -1.26 -5.08 120.40 113.79 1hvr s VAL 82 Ca 0.01 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 1hvr s VAL 82 Cb 0.09 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1hvr s VAL 82 CO 0.43 -0.26 0.96 0.20 -3.33 0.00 0.00 175.10 173.10 1hvr s ASN 83 N -1.23 7.32 -0.13 3.54 0.01 -1.26 -4.62 114.94 118.57 1hvr s ASN 83 Ca -0.13 1.61 0.02 0.00 -0.71 0.00 0.00 52.86 53.65 1hvr s ASN 83 Cb -0.05 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1hvr s ASN 83 CO 0.04 -0.28 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.51 1hvr s ILE 84 N 1.14 1.96 -0.30 0.60 1.01 -0.43 -0.77 121.20 124.41 1hvr s ILE 84 Ca 0.50 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1hvr s ILE 84 Cb -0.20 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1hvr s ILE 84 CO 0.26 0.53 0.21 -0.63 0.00 0.00 0.00 174.94 175.31 1hvr s ILE 85 N 0.81 5.27 0.02 2.92 -1.09 -0.01 -1.86 121.20 127.26 1hvr s ILE 85 Ca -0.08 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1hvr s ILE 85 Cb -0.16 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1hvr s ILE 85 CO -0.01 0.15 0.01 0.61 -1.23 0.00 0.00 174.94 174.47 1hvr n GLY 86 N 5.07 2.78 0.23 6.18 0.00 -1.23 -1.10 105.19 117.14 1hvr n GLY 86 Ca -0.14 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.82 1.61 3.08 -0.39 -1.21 114.38 116.65 1hvr h ARG 87 Ca -0.01 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.24 1hvr h ARG 87 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1hvr h ARG 87 CO 0.01 0.20 0.56 -2.95 -1.07 0.00 0.00 179.97 176.72 1hvr h ASN 88 N 0.00 0.26 0.00 7.04 -1.07 -1.56 -2.14 115.58 118.11 1hvr h ASN 88 Ca -0.00 0.02 -0.23 0.00 0.07 0.00 0.00 56.30 56.16 1hvr h ASN 88 Cb 0.43 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 36.61 1hvr h ASN 88 CO 0.03 0.11 -2.16 0.18 0.07 0.00 0.00 177.43 175.66 1hvr n LEU 89 N -4.43 0.00 -0.15 6.14 4.32 -0.56 -4.34 117.00 117.98 1hvr n LEU 89 Ca 0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.15 1hvr n LEU 89 Cb 0.71 0.32 0.22 0.00 -1.62 0.00 0.00 43.42 43.05 1hvr n LEU 89 CO 0.34 0.32 1.08 -0.07 -1.22 0.00 0.00 177.39 177.83 1hvr h LEU 90 N 0.00 0.79 -1.29 2.23 3.38 -1.07 -1.25 115.31 118.10 1hvr h LEU 90 Ca -0.35 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1hvr h LEU 90 Cb 1.77 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1hvr h LEU 90 CO 0.02 0.69 -0.21 0.71 0.09 0.00 0.00 178.44 179.74 1hvr h THR 91 N 0.87 1.21 -0.05 0.22 1.35 -1.59 -0.14 112.91 114.78 1hvr h THR 91 Ca 0.21 -0.98 -0.11 0.00 -0.55 0.00 0.00 66.41 64.97 1hvr h THR 91 Cb 0.13 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1hvr h THR 91 CO -0.02 0.30 -0.50 1.56 -0.25 0.00 0.00 175.52 176.61 1hvr h GLN 92 N 0.21 0.12 -0.31 4.72 4.20 -1.44 -2.37 115.11 120.23 1hvr h GLN 92 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1hvr h GLN 92 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1hvr h GLN 92 CO 0.03 0.59 0.00 0.44 -0.67 0.00 0.00 178.83 179.23 1hvr n ILE 93 N -3.95 0.41 -2.26 2.54 -5.35 -0.94 -4.94 119.36 104.87 1hvr n ILE 93 Ca -0.02 -0.53 -0.07 0.00 -0.27 0.00 0.00 62.75 61.86 1hvr n ILE 93 Cb 0.53 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.26 0.17 3.76 3.28 0.00 -0.89 -5.01 105.19 107.77 1hvr n GLY 94 Ca 0.17 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.48 3.30 0.18 4.61 0.00 -0.10 -5.02 121.76 122.25 1hvr s ALA 95 Ca 0.04 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1hvr s ALA 95 Cb -0.02 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1hvr s ALA 95 CO 0.04 -0.04 -0.04 0.95 0.00 0.00 0.00 175.76 176.67 1hvr s THR 96 N -1.33 1.02 -0.09 0.00 -4.23 -1.26 -4.73 115.64 105.01 1hvr s THR 96 Ca 0.47 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1hvr s THR 96 Cb -0.27 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1hvr s THR 96 CO 0.34 -0.53 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.60 1hvr s LEU 97 N -3.22 3.17 -0.02 4.79 2.96 -1.26 -5.07 118.68 120.02 1hvr s LEU 97 Ca 0.22 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1hvr s LEU 97 Cb 0.04 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1hvr s LEU 97 CO 0.04 0.30 -0.04 0.20 -1.32 0.00 0.00 176.35 175.53 1hvr s ASN 98 N -0.45 0.71 0.00 3.68 0.01 -1.26 -5.29 114.94 112.35 1hvr s ASN 98 Ca 0.07 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1hvr s ASN 98 Cb -0.12 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.29 1hvr s ASN 98 CO 0.02 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.82