#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvg s GLN 2 N 0.00 4.55 -0.31 -0.52 0.74 -1.26 -5.03 119.66 117.83 1bvg s GLN 2 Ca 0.00 1.14 -0.03 0.00 0.05 0.00 0.00 55.36 56.53 1bvg s GLN 2 Cb 0.00 -3.30 0.11 0.00 1.10 0.00 0.00 33.01 30.92 1bvg s GLN 2 CO 0.00 0.45 0.16 0.08 -0.55 0.00 0.00 175.29 175.43 1bvg s VAL 3 N -0.69 -0.02 0.00 1.34 1.01 -1.26 -5.00 120.40 115.78 1bvg s VAL 3 Ca 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1bvg s VAL 3 Cb -0.22 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1bvg s VAL 3 CO 0.25 -0.81 0.00 0.35 0.00 0.00 0.00 175.10 174.90 1bvg n THR 4 N 4.85 0.00 -3.82 3.92 -2.24 -1.26 -4.85 114.28 110.88 1bvg n THR 4 Ca 0.00 0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1bvg n THR 4 Cb 0.41 -1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 1bvg n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bvg n LEU 5 N -2.23 -0.57 -2.41 3.22 4.77 -1.26 -2.32 117.00 116.20 1bvg n LEU 5 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1bvg n LEU 5 Cb 0.00 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 1bvg n LEU 5 CO 0.00 0.07 0.00 0.79 -1.33 0.00 0.00 177.39 176.92 1bvg n TRP 6 N -3.42 0.00 -2.84 -1.77 7.02 -1.26 -4.69 117.44 110.48 1bvg n TRP 6 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 1bvg n TRP 6 Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 1bvg n TRP 6 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1bvg n GLN 7 N -0.89 0.00 -2.35 -0.99 6.02 -0.98 -5.11 117.38 113.07 1bvg n GLN 7 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1bvg n GLN 7 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1bvg n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bvg s ARG 8 N -1.19 4.17 -1.29 -1.09 0.52 -1.26 -4.91 118.95 113.90 1bvg s ARG 8 Ca 0.00 1.70 -0.18 0.00 -0.52 0.00 0.00 55.73 56.73 1bvg s ARG 8 Cb 0.00 -3.82 0.03 0.00 0.52 0.00 0.00 34.95 31.68 1bvg s ARG 8 CO 0.00 -0.79 1.89 -0.35 0.02 0.00 0.00 175.30 176.06 1bvg n PRO 9 N 6.80 2.79 -3.02 3.54 -0.04 -1.26 -4.97 135.00 138.83 1bvg n PRO 9 Ca 0.15 -2.93 -0.35 0.00 -0.04 0.00 0.00 63.50 60.33 1bvg n PRO 9 Cb 0.45 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 1bvg n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bvg s LEU 10 N 4.60 4.21 -0.04 1.53 1.43 -1.26 -2.42 118.68 126.73 1bvg s LEU 10 Ca 0.55 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 1bvg s LEU 10 Cb 0.06 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1bvg s LEU 10 CO 0.05 -0.10 -0.10 0.68 0.23 0.00 0.00 176.35 177.11 1bvg s VAL 11 N -1.75 0.88 -0.44 -1.59 -7.23 -0.51 -4.88 120.40 104.88 1bvg s VAL 11 Ca 0.50 -0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 1bvg s VAL 11 Cb -0.14 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1bvg s VAL 11 CO 0.19 0.28 2.02 -0.89 -0.31 0.00 0.00 175.10 176.40 1bvg s THR 12 N 0.43 3.26 0.28 5.32 2.01 -1.26 -1.91 115.64 123.77 1bvg s THR 12 Ca -0.08 0.22 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 1bvg s THR 12 Cb -0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1bvg s THR 12 CO 0.01 -0.42 0.58 0.27 -0.69 0.00 0.00 174.62 174.38 1bvg s ILE 13 N 9.05 4.95 -0.43 1.82 -4.36 -0.68 -3.88 121.20 127.66 1bvg s ILE 13 Ca 0.83 0.31 0.03 0.00 -0.26 0.00 0.00 60.65 61.56 1bvg s ILE 13 Cb -0.19 -3.68 0.12 0.00 1.25 0.00 0.00 42.46 39.95 1bvg s ILE 13 CO 0.28 -0.25 0.18 -0.75 0.24 0.00 0.00 174.94 174.64 1bvg s LYS 14 N -3.29 1.51 0.13 0.37 2.20 -0.68 -2.54 119.74 117.44 1bvg s LYS 14 Ca 0.46 -2.08 0.10 0.00 -0.36 0.00 0.00 55.97 54.10 1bvg s LYS 14 Cb -0.11 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1bvg s LYS 14 CO 0.26 -1.07 -0.21 0.42 -0.36 0.00 0.00 175.35 174.40 1bvg s ILE 15 N 0.42 2.63 -1.37 5.43 1.01 -0.81 -1.95 121.20 126.56 1bvg s ILE 15 Ca 0.15 -1.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.02 1bvg s ILE 15 Cb -0.23 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.06 1bvg s ILE 15 CO -0.05 0.08 0.38 0.61 0.00 0.00 0.00 174.94 175.95 1bvg n GLY 16 N 0.77 -0.48 4.14 6.18 0.00 -1.26 0.42 105.19 114.97 1bvg n GLY 16 Ca -0.16 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1bvg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvg n GLY 17 N -2.26 -0.28 3.22 -0.02 0.00 -1.26 -4.78 105.19 99.81 1bvg n GLY 17 Ca -0.22 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1bvg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bvg s GLN 18 N -6.87 1.04 -0.03 1.61 -0.21 0.17 -5.08 119.66 110.29 1bvg s GLN 18 Ca 0.27 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.27 1bvg s GLN 18 Cb -0.15 0.29 0.03 0.00 1.00 0.00 0.00 33.01 34.18 1bvg s GLN 18 CO 0.93 -0.33 0.02 -0.51 -2.12 0.00 0.00 175.29 173.27 1bvg s LEU 19 N -3.04 1.09 0.20 2.90 1.43 -1.26 -1.92 118.68 118.07 1bvg s LEU 19 Ca 0.24 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1bvg s LEU 19 Cb 0.06 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1bvg s LEU 19 CO 0.03 -0.12 0.39 -0.54 0.23 0.00 0.00 176.35 176.34 1bvg s LYS 20 N 1.09 1.32 0.11 1.70 1.02 -1.05 -4.98 119.74 118.95 1bvg s LYS 20 Ca -0.09 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 1bvg s LYS 20 Cb -0.13 0.43 -0.06 0.00 -0.52 0.00 0.00 37.83 37.55 1bvg s LYS 20 CO -0.02 -0.52 0.96 -1.21 -0.92 0.00 0.00 175.35 173.64 1bvg s GLU 21 N -3.96 4.70 -0.14 1.68 2.02 -1.26 -1.69 118.70 120.03 1bvg s GLU 21 Ca 0.17 1.45 -0.00 0.00 0.02 0.00 0.00 54.97 56.62 1bvg s GLU 21 Cb 0.01 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 1bvg s GLU 21 CO 0.02 0.21 -0.14 0.00 0.02 0.00 0.00 175.26 175.37 1bvg s ALA 22 N 0.00 2.57 -0.67 5.21 0.00 -0.80 -3.88 121.76 124.19 1bvg s ALA 22 Ca 0.47 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 1bvg s ALA 22 Cb -0.23 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.69 1bvg s ALA 22 CO 0.30 0.11 1.19 -1.17 0.00 0.00 0.00 175.76 176.19 1bvg s LEU 23 N 0.59 3.45 -0.93 0.00 2.96 0.19 -1.43 118.68 123.51 1bvg s LEU 23 Ca -0.08 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 1bvg s LEU 23 Cb -0.16 -2.76 -0.24 0.00 0.50 0.00 0.00 46.19 43.53 1bvg s LEU 23 CO 0.03 -1.64 2.44 0.18 -1.32 0.00 0.00 176.35 176.05 1bvg n LEU 24 N 8.77 -0.00 -4.06 -0.68 4.77 -1.01 -3.11 117.00 121.68 1bvg n LEU 24 Ca 0.04 -0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.27 1bvg n LEU 24 Cb 0.49 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1bvg n LEU 24 CO 0.70 -1.25 1.19 -0.67 -1.33 0.00 0.00 177.39 176.03 1bvg n ASP 25 N 10.01 6.08 0.17 -1.43 2.03 0.44 -4.76 116.55 129.09 1bvg n ASP 25 Ca 0.62 -3.30 0.12 0.00 0.52 0.00 0.00 54.79 52.74 1bvg n ASP 25 Cb 0.16 -1.33 0.61 0.00 -0.72 0.00 0.00 41.12 39.84 1bvg n ASP 25 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1bvg h THR 26 N 3.54 0.00 -0.17 5.18 2.02 -1.86 -1.25 112.91 120.37 1bvg h THR 26 Ca 0.23 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 67.22 1bvg h THR 26 Cb 0.67 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1bvg h THR 26 CO 1.32 0.00 -0.52 1.23 0.37 0.00 0.00 175.52 177.91 1bvg h GLY 27 N 0.23 0.73 -1.30 2.16 0.00 -1.86 -3.42 103.07 99.60 1bvg h GLY 27 Ca 0.00 -0.94 -0.51 0.00 0.00 0.00 0.00 47.33 45.88 1bvg h GLY 27 CO 0.00 0.84 0.32 0.00 0.00 0.00 0.00 176.54 177.70 1bvg s ALA 28 N -3.89 2.27 -0.96 3.60 0.00 -0.47 -4.93 121.76 117.37 1bvg s ALA 28 Ca -0.12 0.21 0.22 0.00 0.00 0.00 0.00 51.96 52.27 1bvg s ALA 28 Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1bvg s ALA 28 CO 0.85 -1.73 0.99 -0.25 0.00 0.00 0.00 175.76 175.62 1bvg n ASP 29 N -3.49 0.87 -3.44 0.00 9.92 -1.26 -1.81 116.55 117.33 1bvg n ASP 29 Ca 0.09 -0.81 -0.21 0.00 -0.53 0.00 0.00 54.79 53.32 1bvg n ASP 29 Cb 0.53 0.88 -0.08 0.00 -0.64 0.00 0.00 41.12 41.81 1bvg n ASP 29 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bvg n ASP 30 N -1.53 -0.07 -4.24 -2.24 -0.08 -1.26 -1.44 116.55 105.69 1bvg n ASP 30 Ca 0.04 -3.19 -0.43 0.00 -1.51 0.00 0.00 54.79 49.71 1bvg n ASP 30 Cb 0.34 1.46 -0.05 0.00 2.34 0.00 0.00 41.12 45.22 1bvg n ASP 30 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1bvg s THR 31 N -3.27 4.95 0.99 5.18 2.01 -1.16 0.12 115.64 124.47 1bvg s THR 31 Ca 0.34 -2.81 -0.12 0.00 0.31 0.00 0.00 61.69 59.40 1bvg s THR 31 Cb 0.02 -4.09 0.19 0.00 0.01 0.00 0.00 72.50 68.62 1bvg s THR 31 CO 0.24 -1.00 1.09 0.54 -0.69 0.00 0.00 174.62 174.80 1bvg s VAL 32 N -0.14 2.11 -0.30 3.82 0.11 0.14 -1.12 120.40 125.02 1bvg s VAL 32 Ca 0.19 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 1bvg s VAL 32 Cb -0.13 -2.52 0.15 0.00 -1.53 0.00 0.00 36.38 32.34 1bvg s VAL 32 CO -0.07 -0.05 0.89 -0.76 -3.33 0.00 0.00 175.10 171.78 1bvg s LEU 33 N -6.45 -0.71 0.79 2.54 1.02 0.14 -0.95 118.68 115.05 1bvg s LEU 33 Ca 0.65 1.02 -0.17 0.00 0.02 0.00 0.00 54.13 55.65 1bvg s LEU 33 Cb -0.19 1.87 -0.10 0.00 0.02 0.00 0.00 46.19 47.80 1bvg s LEU 33 CO 0.58 -0.15 -0.14 -1.84 0.02 0.00 0.00 176.35 174.81 1bvg n GLU 34 N 4.71 0.05 -1.47 1.70 0.28 -1.12 -2.10 120.64 122.69 1bvg n GLU 34 Ca -0.13 0.03 -0.46 0.00 -0.16 0.00 0.00 57.16 56.45 1bvg n GLU 34 Cb 0.54 -1.31 -0.02 0.00 1.43 0.00 0.00 31.44 32.08 1bvg n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bvg n GLU 35 N 0.93 0.55 -0.03 3.44 2.13 0.26 -4.48 120.64 123.43 1bvg n GLU 35 Ca 0.05 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1bvg n GLU 35 Cb 0.52 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1bvg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bvg n MET 36 N 0.86 0.00 -3.36 5.31 0.00 -1.26 -4.98 117.12 113.69 1bvg n MET 36 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.38 1bvg n MET 36 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.49 1bvg n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1bvg s SER 37 N 1.41 6.59 0.02 3.17 0.15 -1.26 -5.02 113.70 118.76 1bvg s SER 37 Ca 0.00 -2.64 0.06 0.00 0.70 0.00 0.00 55.95 54.07 1bvg s SER 37 Cb 0.00 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 1bvg s SER 37 CO 0.00 -0.58 -0.18 -0.22 1.20 0.00 0.00 173.24 173.46 1bvg s LEU 38 N 0.25 2.10 0.70 3.45 2.96 -1.26 -4.49 118.68 122.39 1bvg s LEU 38 Ca 0.17 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 1bvg s LEU 38 Cb -0.12 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.68 1bvg s LEU 38 CO -0.08 0.17 1.06 -2.16 -1.32 0.00 0.00 176.35 174.03 1bvg s PRO 39 N -0.81 2.90 0.00 0.98 0.04 -1.26 -5.05 135.00 131.80 1bvg s PRO 39 Ca 0.06 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1bvg s PRO 39 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1bvg s PRO 39 CO 0.01 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1bvg n GLY 40 N -2.02 -3.05 1.47 0.56 0.00 -1.26 -4.71 105.19 96.18 1bvg n GLY 40 Ca 0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 1bvg n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bvg n ARG 41 N 0.00 -0.99 -2.10 1.61 0.00 -1.26 -5.06 116.66 108.86 1bvg n ARG 41 Ca 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 57.85 57.96 1bvg n ARG 41 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 32.46 29.48 1bvg n ARG 41 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1bvg n TRP 42 N -1.83 -0.03 -4.33 -0.14 4.27 -1.26 -4.77 117.44 109.35 1bvg n TRP 42 Ca -0.03 -0.12 -0.19 0.00 -3.89 0.00 0.00 57.50 53.27 1bvg n TRP 42 Cb 0.52 0.01 -0.15 0.00 -1.36 0.00 0.00 31.31 30.33 1bvg n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bvg s LYS 43 N -2.06 0.74 0.22 -2.67 1.02 -1.17 -4.98 119.74 110.84 1bvg s LYS 43 Ca 0.02 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 1bvg s LYS 43 Cb 0.00 -0.71 -0.08 0.00 -0.52 0.00 0.00 37.83 36.52 1bvg s LYS 43 CO 0.01 0.15 1.01 -1.25 -0.92 0.00 0.00 175.35 174.35 1bvg s PRO 44 N -0.06 4.74 0.16 -1.68 0.04 -1.26 -0.48 135.00 136.45 1bvg s PRO 44 Ca 0.01 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1bvg s PRO 44 Cb -0.05 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1bvg s PRO 44 CO -0.00 0.32 0.29 0.36 0.04 0.00 0.00 177.00 178.01 1bvg n LYS 45 N 1.77 0.42 -3.71 4.56 2.85 -0.52 -4.87 118.16 118.66 1bvg n LYS 45 Ca -0.00 -1.02 -0.11 0.00 -1.05 0.00 0.00 58.31 56.13 1bvg n LYS 45 Cb 0.47 1.16 -0.11 0.00 -0.65 0.00 0.00 35.03 35.90 1bvg n LYS 45 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1bvg s MET 46 N -2.13 0.37 -0.01 -1.58 -1.94 -1.26 -1.54 119.30 111.21 1bvg s MET 46 Ca 0.08 0.71 -0.04 0.00 -1.71 0.00 0.00 55.69 54.74 1bvg s MET 46 Cb -0.02 -0.00 -0.04 0.00 2.01 0.00 0.00 34.83 36.78 1bvg s MET 46 CO 0.06 -0.14 0.20 0.96 -0.01 0.00 0.00 175.02 176.09 1bvg s ILE 47 N 1.19 5.41 -0.32 2.53 -4.36 -0.11 -4.89 121.20 120.67 1bvg s ILE 47 Ca -0.08 -0.09 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1bvg s ILE 47 Cb -0.08 -3.54 0.08 0.00 1.25 0.00 0.00 42.46 40.18 1bvg s ILE 47 CO -0.10 0.34 0.01 -0.83 0.24 0.00 0.00 174.94 174.60 1bvg s GLY 48 N -1.87 1.84 0.00 6.27 0.00 -1.26 -0.66 107.32 111.64 1bvg s GLY 48 Ca 0.27 -2.23 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1bvg s GLY 48 CO 0.18 0.82 0.00 0.61 0.00 0.00 0.00 173.10 174.71 1bvg n GLY 49 N 4.36 2.89 3.65 0.20 0.00 -1.00 -4.97 105.19 110.31 1bvg n GLY 49 Ca -0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1bvg n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvg s ILE 50 N 3.62 4.80 0.00 -0.61 1.01 -1.26 -4.13 121.20 124.63 1bvg s ILE 50 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1bvg s ILE 50 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1bvg s ILE 50 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1bvg n GLY 51 N 3.63 2.91 0.00 6.18 0.00 -1.26 -4.96 105.19 111.69 1bvg n GLY 51 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1bvg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvg n GLY 52 N 0.00 0.77 3.44 -0.02 0.00 -1.26 -5.13 105.19 102.99 1bvg n GLY 52 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1bvg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bvg s PHE 53 N -2.08 3.03 0.27 1.61 0.40 -1.26 -2.39 117.98 117.57 1bvg s PHE 53 Ca 0.00 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1bvg s PHE 53 Cb 0.00 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1bvg s PHE 53 CO 0.00 -0.24 0.40 0.96 0.70 0.00 0.00 175.22 177.04 1bvg s ILE 54 N 0.96 4.99 -0.18 0.64 -4.36 0.16 -4.86 121.20 118.55 1bvg s ILE 54 Ca 0.01 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.37 1bvg s ILE 54 Cb -0.14 -3.77 -0.05 0.00 1.25 0.00 0.00 42.46 39.75 1bvg s ILE 54 CO 0.02 -0.31 0.13 -0.54 0.24 0.00 0.00 174.94 174.47 1bvg s LYS 55 N -4.06 4.01 0.26 0.37 1.02 -1.26 -0.93 119.74 119.16 1bvg s LYS 55 Ca 0.37 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.18 1bvg s LYS 55 Cb -0.09 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1bvg s LYS 55 CO 0.30 0.41 0.18 0.14 -0.92 0.00 0.00 175.35 175.46 1bvg s VAL 56 N 0.04 0.11 -0.28 3.17 -7.23 -0.59 -3.29 120.40 112.32 1bvg s VAL 56 Ca 0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1bvg s VAL 56 Cb -0.11 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.38 1bvg s VAL 56 CO -0.01 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.60 1bvg s ARG 57 N -3.87 2.30 -0.67 4.82 0.52 0.11 -1.44 118.95 120.72 1bvg s ARG 57 Ca 0.39 -1.33 -0.26 0.00 -0.52 0.00 0.00 55.73 54.01 1bvg s ARG 57 Cb 0.05 -3.04 -0.08 0.00 0.52 0.00 0.00 34.95 32.40 1bvg s ARG 57 CO 0.18 -0.61 2.23 -1.14 0.02 0.00 0.00 175.30 175.97 1bvg s GLN 58 N 1.17 2.12 -0.81 3.54 0.74 0.36 -1.95 119.66 124.83 1bvg s GLN 58 Ca -0.06 0.69 -0.19 0.00 0.05 0.00 0.00 55.36 55.85 1bvg s GLN 58 Cb -0.20 -4.69 0.13 0.00 1.10 0.00 0.00 33.01 29.35 1bvg s GLN 58 CO -0.03 -3.55 0.99 0.71 -0.55 0.00 0.00 175.29 172.86 1bvg s TYR 59 N 12.04 3.09 0.02 1.67 2.02 -0.71 -3.05 117.35 132.43 1bvg s TYR 59 Ca 0.86 -1.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 1bvg s TYR 59 Cb -0.13 -4.19 -0.04 0.00 -0.40 0.00 0.00 41.96 37.20 1bvg s TYR 59 CO 0.15 -1.43 0.98 -0.51 -1.57 0.00 0.00 175.55 173.17 1bvg s ASP 60 N 3.48 7.39 0.00 2.29 1.01 -1.26 -1.33 116.67 128.24 1bvg s ASP 60 Ca 0.26 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1bvg s ASP 60 Cb -0.11 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1bvg s ASP 60 CO -0.03 -0.23 0.00 0.00 0.21 0.00 0.00 175.17 175.12 1bvg n GLN 61 N 3.70 0.00 -4.00 8.23 6.02 -1.02 -4.95 117.38 125.36 1bvg n GLN 61 Ca 0.05 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1bvg n GLN 61 Cb 0.51 -1.17 -0.15 0.00 1.02 0.00 0.00 30.24 30.45 1bvg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bvg s ILE 62 N -2.78 2.63 -0.98 5.09 -1.09 -0.20 -4.80 121.20 119.08 1bvg s ILE 62 Ca 0.00 -1.14 -0.25 0.00 -2.23 0.00 0.00 60.65 57.04 1bvg s ILE 62 Cb 0.00 -2.35 -0.11 0.00 -1.58 0.00 0.00 42.46 38.42 1bvg s ILE 62 CO 0.00 0.19 2.07 -0.22 -1.23 0.00 0.00 174.94 175.76 1bvg s LEU 63 N 1.28 2.94 -0.25 2.97 1.98 -1.26 -1.78 118.68 124.56 1bvg s LEU 63 Ca -0.01 -0.81 -0.17 0.00 -2.89 0.00 0.00 54.13 50.24 1bvg s LEU 63 Cb -0.17 -2.57 -0.03 0.00 0.66 0.00 0.00 46.19 44.08 1bvg s LEU 63 CO -0.06 -3.40 0.49 -0.51 -1.89 0.00 0.00 176.35 170.98 1bvg s ILE 64 N 12.46 5.09 -0.49 6.68 2.07 0.33 -4.25 121.20 143.09 1bvg s ILE 64 Ca 0.76 0.84 -0.20 0.00 -1.41 0.00 0.00 60.65 60.64 1bvg s ILE 64 Cb -0.06 -3.81 0.04 0.00 0.13 0.00 0.00 42.46 38.76 1bvg s ILE 64 CO 0.08 0.11 0.68 -0.70 -1.91 0.00 0.00 174.94 173.20 1bvg s GLU 65 N 2.14 3.20 -0.19 3.50 2.12 -0.82 -1.61 118.70 127.04 1bvg s GLU 65 Ca 0.21 -0.63 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 1bvg s GLU 65 Cb -0.16 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.17 1bvg s GLU 65 CO 0.09 -1.19 -0.03 0.42 -0.54 0.00 0.00 175.26 174.01 1bvg s ILE 66 N 2.89 3.67 -0.88 -3.70 1.09 -0.66 -1.69 121.20 121.92 1bvg s ILE 66 Ca 0.20 -0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1bvg s ILE 66 Cb -0.16 -2.64 -0.00 0.00 -1.06 0.00 0.00 42.46 38.59 1bvg s ILE 66 CO 0.15 0.45 0.74 0.00 -0.10 0.00 0.00 174.94 176.18 1bvg n GLY 68 N -1.10 -0.49 2.98 0.00 0.00 -1.26 -4.91 105.19 100.39 1bvg n GLY 68 Ca -0.21 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1bvg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bvg s HIS 69 N -2.67 1.33 0.34 1.61 3.76 -0.96 -5.11 115.29 113.59 1bvg s HIS 69 Ca 0.18 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 1bvg s HIS 69 Cb -0.10 -1.02 -0.11 0.00 1.11 0.00 0.00 32.58 32.46 1bvg s HIS 69 CO 0.23 -0.30 1.43 0.15 -0.85 0.00 0.00 174.74 175.39 1bvg s LYS 70 N 0.91 4.21 -0.29 1.40 1.02 -1.26 -1.66 119.74 124.07 1bvg s LYS 70 Ca -0.10 2.43 0.05 0.00 0.02 0.00 0.00 55.97 58.37 1bvg s LYS 70 Cb -0.15 -3.02 0.19 0.00 -0.52 0.00 0.00 37.83 34.34 1bvg s LYS 70 CO 0.01 -0.41 0.57 0.00 -0.92 0.00 0.00 175.35 174.59 1bvg s ALA 71 N -0.93 -2.25 0.48 5.17 0.00 -0.64 -4.87 121.76 118.73 1bvg s ALA 71 Ca 0.53 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 1bvg s ALA 71 Cb -0.44 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1bvg s ALA 71 CO 0.57 -1.82 0.97 0.42 0.00 0.00 0.00 175.76 175.90 1bvg s ILE 72 N 2.79 4.46 -0.03 0.00 -1.09 -1.26 -0.52 121.20 125.56 1bvg s ILE 72 Ca 0.10 1.31 -0.22 0.00 -2.23 0.00 0.00 60.65 59.61 1bvg s ILE 72 Cb -0.10 -3.67 0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1bvg s ILE 72 CO -0.27 -0.54 0.99 0.61 -1.23 0.00 0.00 174.94 174.50 1bvg n GLY 73 N -1.20 0.28 3.48 6.18 0.00 -0.73 -4.81 105.19 108.39 1bvg n GLY 73 Ca 0.07 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1bvg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bvg s THR 74 N -2.04 4.70 -0.33 2.61 2.01 -1.26 -1.03 115.64 120.30 1bvg s THR 74 Ca 0.23 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1bvg s THR 74 Cb -0.00 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1bvg s THR 74 CO -0.01 -0.88 0.23 -0.69 -0.69 0.00 0.00 174.62 172.58 1bvg s VAL 75 N 3.12 5.17 -0.46 3.82 1.01 -0.44 -2.98 120.40 129.65 1bvg s VAL 75 Ca 0.22 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 1bvg s VAL 75 Cb -0.16 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1bvg s VAL 75 CO 0.16 0.01 1.01 -0.76 0.00 0.00 0.00 175.10 175.51 1bvg s LEU 76 N 1.71 3.86 -0.35 3.92 1.02 -0.27 -1.74 118.68 126.83 1bvg s LEU 76 Ca 0.06 0.31 -0.21 0.00 0.02 0.00 0.00 54.13 54.31 1bvg s LEU 76 Cb -0.17 -3.35 0.00 0.00 0.02 0.00 0.00 46.19 42.69 1bvg s LEU 76 CO 0.10 -1.11 0.65 -0.69 0.02 0.00 0.00 176.35 175.32 1bvg s VAL 77 N 4.00 4.88 0.00 -1.59 1.01 -0.82 0.24 120.40 128.11 1bvg s VAL 77 Ca 0.42 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1bvg s VAL 77 Cb -0.09 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1bvg s VAL 77 CO 0.28 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1bvg n GLY 78 N 4.61 3.24 1.66 4.51 0.00 -0.89 0.06 105.19 118.37 1bvg n GLY 78 Ca -0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 1bvg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bvg n PRO 79 N 0.00 1.31 -3.12 1.61 -0.04 -1.21 0.91 135.00 134.46 1bvg n PRO 79 Ca 0.00 -0.36 -0.39 0.00 -0.04 0.00 0.00 63.50 62.71 1bvg n PRO 79 Cb 0.00 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1bvg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bvg s THR 80 N 0.10 4.64 -1.35 0.52 -1.32 -1.26 -4.94 115.64 112.04 1bvg s THR 80 Ca 0.19 1.45 0.00 0.00 -1.21 0.00 0.00 61.69 62.12 1bvg s THR 80 Cb 0.10 -4.02 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 1bvg s THR 80 CO -0.00 0.49 0.65 -0.81 -2.21 0.00 0.00 174.62 172.74 1bvg n PRO 81 N 2.01 0.96 -3.46 7.08 -0.04 -1.26 -3.55 135.00 136.75 1bvg n PRO 81 Ca -0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1bvg n PRO 81 Cb 0.50 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 1bvg n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bvg s VAL 82 N -1.35 0.00 -0.83 0.52 1.01 -1.26 -5.00 120.40 113.50 1bvg s VAL 82 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1bvg s VAL 82 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.51 1bvg s VAL 82 CO 0.00 0.00 1.00 0.20 0.00 0.00 0.00 175.10 176.30 1bvg s ASN 83 N -2.24 6.51 -0.02 3.32 0.01 -1.25 -2.80 114.94 118.47 1bvg s ASN 83 Ca -0.02 -1.88 -0.30 0.00 -0.71 0.00 0.00 52.86 49.95 1bvg s ASN 83 Cb -0.01 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 1bvg s ASN 83 CO -0.06 -1.07 0.98 -0.63 -1.51 0.00 0.00 177.10 174.82 1bvg s ILE 84 N 2.59 4.86 -0.37 0.60 -1.09 -0.13 -0.63 121.20 127.03 1bvg s ILE 84 Ca 0.26 2.06 -0.06 0.00 -2.23 0.00 0.00 60.65 60.68 1bvg s ILE 84 Cb -0.10 -4.32 0.06 0.00 -1.58 0.00 0.00 42.46 36.53 1bvg s ILE 84 CO -0.04 0.13 0.15 -0.63 -1.23 0.00 0.00 174.94 173.32 1bvg s ILE 85 N 1.17 3.72 0.00 2.92 1.09 -1.18 0.23 121.20 129.15 1bvg s ILE 85 Ca 0.51 -1.39 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 1bvg s ILE 85 Cb -0.21 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1bvg s ILE 85 CO 0.26 -0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.37 1bvg n GLY 86 N 4.78 0.99 0.32 6.18 0.00 0.33 -0.42 105.19 117.37 1bvg n GLY 86 Ca -0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 1bvg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bvg h ARG 87 N 0.00 1.00 -1.34 1.61 2.47 -1.35 -1.14 114.38 115.63 1bvg h ARG 87 Ca 0.00 -0.20 0.39 0.00 -1.26 0.00 0.00 59.98 58.91 1bvg h ARG 87 Cb 0.00 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.11 1bvg h ARG 87 CO 0.00 0.86 1.12 -2.95 0.56 0.00 0.00 179.97 179.55 1bvg h ASN 88 N 0.96 0.00 0.00 7.04 -1.07 -1.52 0.17 115.58 121.16 1bvg h ASN 88 Ca 0.21 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.38 1bvg h ASN 88 Cb 0.28 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.49 1bvg h ASN 88 CO -0.01 0.00 -1.78 0.18 0.07 0.00 0.00 177.43 175.89 1bvg n LEU 89 N -3.78 0.00 0.00 6.14 7.99 -0.87 -4.32 117.00 122.16 1bvg n LEU 89 Ca 0.30 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.35 1bvg n LEU 89 Cb 1.53 0.28 0.24 0.00 -0.11 0.00 0.00 43.42 45.36 1bvg n LEU 89 CO 0.36 0.28 0.67 0.18 -1.51 0.00 0.00 177.39 177.36 1bvg n LEU 90 N -2.41 0.00 0.07 2.23 4.77 0.39 -1.16 117.00 120.88 1bvg n LEU 90 Ca -0.18 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 1bvg n LEU 90 Cb 0.86 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1bvg n LEU 90 CO 0.24 -0.30 -0.21 0.35 -1.33 0.00 0.00 177.39 176.15 1bvg n THR 91 N -1.48 0.51 0.04 -5.08 -2.24 -0.02 -0.39 114.28 105.62 1bvg n THR 91 Ca 0.03 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 61.04 1bvg n THR 91 Cb 0.12 -0.28 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 1bvg n THR 91 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1bvg h GLN 92 N 0.00 0.33 -0.00 -0.78 1.08 -1.33 -3.29 115.11 111.11 1bvg h GLN 92 Ca -0.02 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1bvg h GLN 92 Cb 1.05 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1bvg h GLN 92 CO 0.00 1.27 -0.09 0.44 -0.95 0.00 0.00 178.83 179.50 1bvg n ILE 93 N -3.65 0.00 -2.27 2.54 -5.35 -0.85 -4.90 119.36 104.88 1bvg n ILE 93 Ca -0.27 -0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.09 1bvg n ILE 93 Cb 1.03 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1bvg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bvg n GLY 94 N 1.30 0.05 3.75 3.28 0.00 -1.10 -4.89 105.19 107.58 1bvg n GLY 94 Ca 0.14 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1bvg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvg s ALA 95 N -2.53 2.64 -0.07 4.61 0.00 0.48 -5.00 121.76 121.89 1bvg s ALA 95 Ca 0.03 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 1bvg s ALA 95 Cb -0.01 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.60 1bvg s ALA 95 CO 0.04 -1.38 0.17 0.95 0.00 0.00 0.00 175.76 175.54 1bvg s THR 96 N -1.38 -0.04 -0.90 0.00 -4.23 -1.26 -4.84 115.64 102.99 1bvg s THR 96 Ca 0.76 0.14 -0.18 0.00 -1.18 0.00 0.00 61.69 61.24 1bvg s THR 96 Cb -0.38 -0.27 0.15 0.00 1.34 0.00 0.00 72.50 73.34 1bvg s THR 96 CO 0.42 0.06 1.04 -0.76 -0.54 0.00 0.00 174.62 174.84 1bvg s LEU 97 N 1.02 5.45 -0.22 4.79 1.02 -1.26 -5.00 118.68 124.49 1bvg s LEU 97 Ca -0.08 -2.18 -0.13 0.00 0.02 0.00 0.00 54.13 51.77 1bvg s LEU 97 Cb -0.10 -2.35 -0.05 0.00 0.02 0.00 0.00 46.19 43.71 1bvg s LEU 97 CO -0.06 -0.95 0.25 0.20 0.02 0.00 0.00 176.35 175.82 1bvg s ASN 98 N 3.29 6.25 0.00 2.29 0.02 -1.26 -5.31 114.94 120.22 1bvg s ASN 98 Ca 0.29 0.29 0.00 0.00 -1.02 0.00 0.00 52.86 52.41 1bvg s ASN 98 Cb -0.06 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.05 1bvg s ASN 98 CO -0.09 0.02 0.08 2.22 0.02 0.00 0.00 177.10 179.35