#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s ARG 2 N 0.00 2.06 0.97 0.03 3.52 -1.21 -5.01 118.95 119.31 2avy s ARG 2 Ca 0.00 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.66 2avy s ARG 2 Cb 0.00 -1.88 0.17 0.00 -1.56 0.00 0.00 34.95 31.68 2avy s ARG 2 CO 0.00 0.43 1.09 -1.01 -0.81 0.00 0.00 175.30 175.01 2avy s HIS 3 N -0.36 2.17 0.16 5.12 3.76 -1.26 -4.03 115.29 120.86 2avy s HIS 3 Ca 0.04 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.96 2avy s HIS 3 Cb -0.11 -3.24 0.01 0.00 1.11 0.00 0.00 32.58 30.36 2avy s HIS 3 CO 0.01 -2.76 0.28 0.66 -0.85 0.00 0.00 174.74 172.08 2avy n TYR 4 N -4.09 -1.23 -3.00 1.40 4.01 -1.16 -1.76 117.16 111.33 2avy n TYR 4 Ca 0.06 -0.93 0.03 0.00 -0.16 0.00 0.00 57.90 56.89 2avy n TYR 4 Cb 0.57 0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 2avy n TYR 4 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2avy s GLU 5 N -2.20 0.34 -0.17 -0.72 2.12 -1.21 -3.13 118.70 113.72 2avy s GLU 5 Ca 0.10 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2avy s GLU 5 Cb -0.01 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 2avy s GLU 5 CO 0.07 -0.53 -0.06 -1.50 -0.54 0.00 0.00 175.26 172.71 2avy s ILE 6 N 2.30 3.59 -0.31 -3.70 1.10 -1.26 -1.68 121.20 121.24 2avy s ILE 6 Ca 0.18 -0.45 0.03 0.00 -0.51 0.00 0.00 60.65 59.90 2avy s ILE 6 Cb -0.01 -2.58 0.08 0.00 0.15 0.00 0.00 42.46 40.11 2avy s ILE 6 CO -0.17 0.48 -0.01 0.54 -2.11 0.00 0.00 174.94 173.67 2avy s VAL 7 N 0.65 2.21 -0.15 4.00 0.11 -0.64 -2.70 120.40 123.87 2avy s VAL 7 Ca -0.03 -2.04 -0.07 0.00 -2.93 0.00 0.00 61.98 56.90 2avy s VAL 7 Cb -0.15 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 2avy s VAL 7 CO 0.02 -0.37 0.11 0.72 -3.33 0.00 0.00 175.10 172.25 2avy s PHE 8 N 0.99 3.44 -0.34 1.54 -0.12 -0.85 -3.70 117.98 118.95 2avy s PHE 8 Ca 0.03 0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 57.23 2avy s PHE 8 Cb -0.19 -2.00 0.05 0.00 -0.63 0.00 0.00 43.02 40.24 2avy s PHE 8 CO -0.07 0.50 0.09 0.00 -0.05 0.00 0.00 175.22 175.69 2avy s MET 9 N -0.42 2.50 0.26 1.99 0.23 -1.09 -2.54 119.30 120.23 2avy s MET 9 Ca 0.11 -1.29 -0.13 0.00 -1.03 0.00 0.00 55.69 53.35 2avy s MET 9 Cb -0.12 -3.41 -0.08 0.00 -1.53 0.00 0.00 34.83 29.70 2avy s MET 9 CO 0.02 -0.71 0.64 0.08 -2.03 0.00 0.00 175.02 173.02 2avy s VAL 10 N 1.33 4.78 0.21 5.16 1.01 -0.22 -0.58 120.40 132.09 2avy s VAL 10 Ca -0.01 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 2avy s VAL 10 Cb -0.20 -3.65 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 2avy s VAL 10 CO 0.01 -0.06 0.55 1.57 0.00 0.00 0.00 175.10 177.17 2avy n HIS 11 N -0.05 -0.40 -0.33 5.22 -0.00 0.17 -1.34 115.22 118.49 2avy n HIS 11 Ca 0.01 0.95 0.01 0.00 0.46 0.00 0.00 57.72 59.16 2avy n HIS 11 Cb 0.53 -1.98 0.19 0.00 -0.12 0.00 0.00 29.99 28.61 2avy n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2avy h PRO 12 N 1.05 1.13 -0.99 1.57 0.13 -1.90 -2.55 132.00 130.44 2avy h PRO 12 Ca -0.29 -0.07 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 2avy h PRO 12 Cb 1.43 -0.25 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2avy h PRO 12 CO 0.57 0.75 0.30 -0.25 -0.23 0.00 0.00 178.00 179.14 2avy n ASP 13 N -4.45 3.37 -0.36 1.44 10.43 -1.26 -3.54 116.55 122.18 2avy n ASP 13 Ca 0.13 -2.77 0.00 0.00 2.57 0.00 0.00 54.79 54.72 2avy n ASP 13 Cb 0.11 -0.66 0.00 0.00 1.84 0.00 0.00 41.12 42.41 2avy n ASP 13 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2avy n GLN 14 N -0.27 0.00 -0.28 -1.24 1.13 -0.96 -4.91 117.38 110.85 2avy n GLN 14 Ca 0.28 -0.78 0.10 0.00 -1.94 0.00 0.00 57.00 54.67 2avy n GLN 14 Cb 1.05 -0.45 0.25 0.00 0.11 0.00 0.00 30.24 31.20 2avy n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2avy h SER 15 N 0.00 0.17 -0.00 1.08 0.87 -1.61 0.83 113.55 114.88 2avy h SER 15 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2avy h SER 15 Cb 1.26 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2avy h SER 15 CO 0.00 -0.03 0.36 1.05 -0.53 0.00 0.00 176.83 177.69 2avy h GLU 16 N 0.33 0.00 0.00 2.24 9.09 -1.91 0.47 114.58 124.80 2avy h GLU 16 Ca 0.50 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.79 2avy h GLU 16 Cb 0.91 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.99 2avy h GLU 16 CO -0.53 0.00 -1.07 0.37 0.05 0.00 0.00 179.01 177.82 2avy h GLN 17 N 0.00 0.00 -0.43 1.06 4.15 -1.24 -3.37 115.11 115.28 2avy h GLN 17 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.51 2avy h GLN 17 Cb 0.73 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.33 2avy h GLN 17 CO -0.00 0.29 -0.19 0.28 -1.93 0.00 0.00 178.83 177.28 2avy h VAL 18 N 0.00 0.41 -0.97 2.39 2.07 -0.09 0.32 116.25 120.39 2avy h VAL 18 Ca -0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2avy h VAL 18 Cb 1.43 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2avy h VAL 18 CO 0.04 0.00 0.63 1.55 0.02 0.00 0.00 177.57 179.81 2avy h PRO 19 N -0.10 1.14 -0.33 1.57 0.13 -1.73 -1.48 132.00 131.20 2avy h PRO 19 Ca 0.21 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 65.11 2avy h PRO 19 Cb 0.43 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 2avy h PRO 19 CO -0.50 0.76 -0.42 0.78 -0.23 0.00 0.00 178.00 178.39 2avy h GLY 20 N 1.18 0.90 0.87 1.56 0.00 -1.40 -3.07 103.07 103.11 2avy h GLY 20 Ca 0.40 -0.94 0.04 0.00 0.00 0.00 0.00 47.33 46.83 2avy h GLY 20 CO -0.14 0.84 0.58 -0.33 0.00 0.00 0.00 176.54 177.50 2avy h MET 21 N 0.67 1.10 0.11 4.80 2.86 0.34 -2.90 114.93 121.90 2avy h MET 21 Ca 0.05 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2avy h MET 21 Cb 0.99 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2avy h MET 21 CO 0.10 0.72 -0.13 0.82 1.06 0.00 0.00 176.91 179.48 2avy h ILE 22 N 1.13 0.70 -0.64 -1.22 2.04 -1.20 -2.69 117.51 115.63 2avy h ILE 22 Ca 0.36 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.33 2avy h ILE 22 Cb 0.01 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 2avy h ILE 22 CO -0.12 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 177.90 2avy h GLU 23 N -0.28 0.34 0.61 2.37 5.08 -1.47 0.13 114.58 121.36 2avy h GLU 23 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2avy h GLU 23 Cb 0.28 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2avy h GLU 23 CO -0.05 0.22 -0.42 0.00 -1.00 0.00 0.00 179.01 177.76 2avy h ARG 24 N 0.35 -0.95 0.17 2.33 -0.00 -1.42 0.15 114.38 115.01 2avy h ARG 24 Ca 0.34 0.06 0.01 0.00 -0.50 0.00 0.00 59.98 59.89 2avy h ARG 24 Cb 0.48 0.22 -0.04 0.00 0.00 0.00 0.00 29.97 30.62 2avy h ARG 24 CO -0.37 -0.63 -0.48 1.88 0.00 0.00 0.00 179.97 180.36 2avy h TYR 25 N -0.98 -1.39 -0.56 3.04 0.99 -1.20 -0.75 116.97 116.13 2avy h TYR 25 Ca -0.08 0.03 0.11 0.00 2.00 0.00 0.00 58.73 60.79 2avy h TYR 25 Cb 0.80 0.58 -0.11 0.00 1.00 0.00 0.00 36.73 39.01 2avy h TYR 25 CO -0.12 -0.56 -0.18 1.79 -0.00 0.00 0.00 178.16 179.10 2avy h THR 26 N -0.73 0.38 -0.46 -2.88 1.35 -0.74 -0.53 112.91 109.30 2avy h THR 26 Ca -0.01 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.91 2avy h THR 26 Cb 0.71 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.46 2avy h THR 26 CO -0.23 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 175.18 2avy h ALA 27 N 1.46 0.54 0.12 6.62 0.00 -0.32 -1.43 119.26 126.25 2avy h ALA 27 Ca 0.26 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2avy h ALA 27 Cb 0.45 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2avy h ALA 27 CO -0.60 -0.25 -0.22 0.00 0.00 0.00 0.00 179.25 178.18 2avy h ALA 28 N 1.32 -0.38 -0.59 0.00 0.00 0.33 0.88 119.26 120.82 2avy h ALA 28 Ca 0.22 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.21 2avy h ALA 28 Cb 0.24 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 2avy h ALA 28 CO -0.24 -0.75 -0.00 0.82 0.00 0.00 0.00 179.25 179.07 2avy h ILE 29 N -0.42 0.52 -0.58 0.00 2.04 -0.72 0.15 117.51 118.49 2avy h ILE 29 Ca 0.03 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2avy h ILE 29 Cb 0.44 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2avy h ILE 29 CO -0.12 0.02 0.18 0.74 0.00 0.00 0.00 178.15 178.97 2avy h THR 30 N 0.11 1.23 -0.07 -0.27 2.02 -0.82 -0.96 112.91 114.15 2avy h THR 30 Ca 0.30 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2avy h THR 30 Cb 0.48 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2avy h THR 30 CO -0.50 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.29 2avy n GLY 31 N -0.90 -0.64 0.43 2.16 0.00 0.32 -3.14 105.19 103.41 2avy n GLY 31 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2avy n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avy n ALA 32 N -0.33 2.70 -1.81 4.61 0.00 -0.03 -4.94 120.51 120.71 2avy n ALA 32 Ca 0.05 -2.60 -0.16 0.00 0.00 0.00 0.00 53.44 50.74 2avy n ALA 32 Cb 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 2avy n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2avy n GLU 33 N -1.10 -1.18 -0.84 0.00 -0.58 -1.19 -4.61 120.64 111.14 2avy n GLU 33 Ca 0.19 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.87 2avy n GLU 33 Cb 0.75 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.42 2avy n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2avy n GLY 34 N -1.02 1.96 3.10 0.62 0.00 -0.82 -4.89 105.19 104.15 2avy n GLY 34 Ca -0.17 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.65 2avy n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2avy s LYS 35 N -1.16 0.61 -0.32 1.61 1.02 -1.26 -4.68 119.74 115.55 2avy s LYS 35 Ca 0.00 -1.06 -0.01 0.00 0.02 0.00 0.00 55.97 54.92 2avy s LYS 35 Cb 0.00 0.22 0.11 0.00 -0.52 0.00 0.00 37.83 37.64 2avy s LYS 35 CO 0.00 -0.13 0.13 0.42 -0.92 0.00 0.00 175.35 174.85 2avy s ILE 36 N -3.49 0.60 -0.50 2.17 1.01 -1.26 -2.74 121.20 116.99 2avy s ILE 36 Ca 0.03 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.33 2avy s ILE 36 Cb 0.05 -1.46 0.44 0.00 0.01 0.00 0.00 42.46 41.49 2avy s ILE 36 CO -0.09 -0.74 1.54 0.00 0.00 0.00 0.00 174.94 175.65 2avy n HIS 37 N 4.74 3.03 0.00 3.97 1.44 -1.25 -4.96 115.22 122.20 2avy n HIS 37 Ca -0.01 -2.63 0.00 0.00 -2.01 0.00 0.00 57.72 53.08 2avy n HIS 37 Cb 0.41 -0.75 0.00 0.00 0.12 0.00 0.00 29.99 29.76 2avy n HIS 37 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2avy n ARG 38 N -0.72 0.00 -3.63 -1.40 3.00 -1.25 -4.22 116.66 108.44 2avy n ARG 38 Ca 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 58.30 2avy n ARG 38 Cb 0.74 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.14 2avy n ARG 38 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2avy s LEU 39 N 0.00 -0.19 -0.28 6.15 1.98 -1.25 -4.49 118.68 120.60 2avy s LEU 39 Ca 0.00 0.28 -0.25 0.00 -2.89 0.00 0.00 54.13 51.27 2avy s LEU 39 Cb 0.00 1.41 0.15 0.00 0.66 0.00 0.00 46.19 48.41 2avy s LEU 39 CO 0.00 -0.13 1.18 -1.83 -1.89 0.00 0.00 176.35 173.68 2avy s GLU 40 N -0.58 0.35 -0.31 1.98 -1.05 -1.26 -5.00 118.70 112.83 2avy s GLU 40 Ca 0.05 0.39 -0.07 0.00 -0.15 0.00 0.00 54.97 55.18 2avy s GLU 40 Cb -0.02 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.85 2avy s GLU 40 CO -0.07 -0.05 0.11 0.34 0.95 0.00 0.00 175.26 176.54 2avy s ASP 41 N 0.09 5.27 0.04 0.83 2.15 -1.26 -2.57 116.67 121.22 2avy s ASP 41 Ca 0.05 -0.79 0.25 0.00 0.43 0.00 0.00 52.55 52.49 2avy s ASP 41 Cb -0.05 -1.91 0.43 0.00 -0.30 0.00 0.00 42.92 41.10 2avy s ASP 41 CO -0.09 -0.23 1.36 0.79 -0.17 0.00 0.00 175.17 176.83 2avy n TRP 42 N 4.88 0.20 -4.84 -5.34 7.02 -0.48 -5.02 117.44 113.86 2avy n TRP 42 Ca -0.14 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2avy n TRP 42 Cb 0.47 -0.40 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 2avy n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2avy n GLY 43 N 1.44 1.17 3.87 6.99 0.00 -1.12 -4.68 105.19 112.87 2avy n GLY 43 Ca 0.05 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2avy n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avy s ARG 44 N 0.00 3.81 -0.15 1.61 0.52 -1.25 0.48 118.95 123.97 2avy s ARG 44 Ca 0.00 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 2avy s ARG 44 Cb 0.00 -2.61 0.13 0.00 0.52 0.00 0.00 34.95 32.99 2avy s ARG 44 CO 0.00 0.27 1.00 0.50 0.02 0.00 0.00 175.30 177.10 2avy s ARG 45 N -2.94 0.60 0.79 3.54 3.52 -0.99 -4.96 118.95 118.50 2avy s ARG 45 Ca 0.48 0.08 -0.14 0.00 -0.13 0.00 0.00 55.73 56.02 2avy s ARG 45 Cb -0.11 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.61 2avy s ARG 45 CO 0.22 -0.20 1.03 0.00 -0.81 0.00 0.00 175.30 175.54 2avy n GLN 46 N 0.58 0.24 -4.25 5.12 10.64 -1.26 -2.82 117.38 125.62 2avy n GLN 46 Ca -0.09 0.15 -0.23 0.00 -1.83 0.00 0.00 57.00 55.00 2avy n GLN 46 Cb 0.58 -2.30 -0.07 0.00 -0.86 0.00 0.00 30.24 27.60 2avy n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2avy s LEU 47 N -4.27 3.36 0.09 2.61 1.43 -0.82 -4.87 118.68 116.21 2avy s LEU 47 Ca 0.72 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2avy s LEU 47 Cb -0.30 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 2avy s LEU 47 CO 0.52 -0.00 1.45 0.00 0.23 0.00 0.00 176.35 178.55 2avy h ALA 48 N 1.83 0.41 -2.60 4.21 0.00 -1.95 -3.45 119.26 117.70 2avy h ALA 48 Ca -0.45 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 53.88 2avy h ALA 48 Cb 1.24 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2avy h ALA 48 CO 0.60 0.33 -0.71 1.52 0.00 0.00 0.00 179.25 181.00 2avy s TYR 49 N -4.53 0.75 -0.29 0.00 1.13 -1.26 -5.03 117.35 108.12 2avy s TYR 49 Ca -0.13 -0.76 -0.03 0.00 -1.41 0.00 0.00 57.07 54.74 2avy s TYR 49 Cb 0.08 -0.45 -0.09 0.00 -1.10 0.00 0.00 41.96 40.41 2avy s TYR 49 CO 0.80 -0.15 1.87 -0.35 -2.51 0.00 0.00 175.55 175.22 2avy n PRO 50 N 0.58 1.19 -1.69 -3.49 -0.04 -1.26 -4.89 135.00 125.40 2avy n PRO 50 Ca -0.17 -0.77 -0.56 0.00 -0.04 0.00 0.00 63.50 61.96 2avy n PRO 50 Cb 0.58 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 2avy n PRO 50 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2avy n ILE 51 N 3.43 0.34 -3.68 0.52 3.06 -1.26 0.71 119.36 122.48 2avy n ILE 51 Ca 0.25 -0.07 -0.25 0.00 -2.50 0.00 0.00 62.75 60.18 2avy n ILE 51 Cb 0.28 -1.33 0.06 0.00 0.54 0.00 0.00 39.64 39.20 2avy n ILE 51 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2avy n ASN 52 N 5.80 -5.30 -0.18 9.51 5.15 -1.26 -4.67 115.26 124.31 2avy n ASN 52 Ca 0.27 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 2avy n ASN 52 Cb 0.15 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 34.73 2avy n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2avy n LYS 53 N -4.81 0.00 -0.06 1.20 0.00 0.22 -5.03 118.16 109.68 2avy n LYS 53 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.29 2avy n LYS 53 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.59 2avy n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2avy n LEU 54 N 0.00 0.00 -0.84 3.14 -0.00 -1.26 -4.65 117.00 113.40 2avy n LEU 54 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2avy n LEU 54 Cb 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2avy n LEU 54 CO 0.00 -0.92 0.21 0.00 -0.00 0.00 0.00 177.39 176.68 2avy n HIS 55 N -1.26 0.00 -3.53 1.96 -0.00 -1.26 -4.12 115.22 107.00 2avy n HIS 55 Ca 0.00 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.72 57.37 2avy n HIS 55 Cb 0.03 0.06 -0.05 0.00 -0.00 0.00 0.00 29.99 30.02 2avy n HIS 55 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2avy s LYS 56 N 0.00 0.92 0.20 -1.40 1.02 -1.26 -1.94 119.74 117.27 2avy s LYS 56 Ca 0.09 0.12 -0.15 0.00 0.02 0.00 0.00 55.97 56.04 2avy s LYS 56 Cb 0.10 0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.86 2avy s LYS 56 CO -0.05 -0.31 0.48 0.00 -0.92 0.00 0.00 175.35 174.56 2avy s ALA 57 N -1.54 -0.69 -0.19 5.17 0.00 -1.13 -4.18 121.76 119.20 2avy s ALA 57 Ca -0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 2avy s ALA 57 Cb -0.00 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2avy s ALA 57 CO 0.04 -0.79 0.39 -1.58 0.00 0.00 0.00 175.76 173.82 2avy s HIS 58 N -3.91 3.40 0.05 0.00 2.46 -0.45 -2.36 115.29 114.48 2avy s HIS 58 Ca 0.12 0.64 0.03 0.00 0.47 0.00 0.00 55.06 56.32 2avy s HIS 58 Cb -0.00 -2.51 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 2avy s HIS 58 CO -0.00 0.03 0.04 0.71 -2.47 0.00 0.00 174.74 173.05 2avy s TYR 59 N 1.15 3.11 -0.08 3.88 1.51 0.18 -1.05 117.35 126.05 2avy s TYR 59 Ca 0.19 0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 56.11 2avy s TYR 59 Cb -0.15 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.13 2avy s TYR 59 CO 0.08 0.50 0.48 0.08 -1.11 0.00 0.00 175.55 175.57 2avy s VAL 60 N -1.27 0.02 0.00 0.71 1.01 -1.05 -1.38 120.40 118.43 2avy s VAL 60 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2avy s VAL 60 Cb -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2avy s VAL 60 CO 0.17 -0.10 0.00 -0.11 0.00 0.00 0.00 175.10 175.06 2avy n LEU 61 N 1.66 0.00 0.00 3.92 -0.00 -1.06 -2.01 117.00 119.51 2avy n LEU 61 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2avy n LEU 61 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2avy n LEU 61 CO 0.19 0.00 0.00 0.80 -0.00 0.00 0.00 177.39 178.38 2avy n MET 62 N 0.00 0.00 -2.58 1.96 1.56 -1.10 -4.70 117.12 112.25 2avy n MET 62 Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 2avy n MET 62 Cb 0.00 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.40 2avy n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2avy n ASN 63 N -0.25 -5.26 -1.90 6.12 4.13 -1.25 -3.83 115.26 113.02 2avy n ASN 63 Ca 0.00 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.95 2avy n ASN 63 Cb 0.00 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 34.61 2avy n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2avy n VAL 64 N -2.22 0.00 -0.59 2.41 0.31 -1.18 -3.79 118.33 113.26 2avy n VAL 64 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2avy n VAL 64 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2avy n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2avy n GLU 65 N 0.00 0.00 -0.85 5.55 0.00 -1.11 -2.96 120.64 121.27 2avy n GLU 65 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 2avy n GLU 65 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.54 2avy n GLU 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2avy n ALA 66 N 0.00 -3.15 -1.86 4.31 0.00 -1.26 -3.29 120.51 115.26 2avy n ALA 66 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 2avy n ALA 66 Cb 0.03 -1.67 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 2avy n ALA 66 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2avy s PRO 67 N -3.29 4.23 0.34 0.00 0.04 -1.26 -4.09 135.00 130.96 2avy s PRO 67 Ca 0.54 2.36 0.15 0.00 0.04 0.00 0.00 61.00 64.08 2avy s PRO 67 Cb -0.21 -3.10 1.13 0.00 0.04 0.00 0.00 34.50 32.36 2avy s PRO 67 CO 0.70 -0.48 1.50 0.00 0.04 0.00 0.00 177.00 178.77 2avy n GLN 68 N 2.50 -0.06 -0.08 4.56 0.00 -1.26 -1.56 117.38 121.48 2avy n GLN 68 Ca 0.08 1.35 -0.12 0.00 0.00 0.00 0.00 57.00 58.31 2avy n GLN 68 Cb 0.39 -2.34 -0.08 0.00 0.00 0.00 0.00 30.24 28.22 2avy n GLN 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2avy h GLU 69 N 0.00 -0.36 0.00 2.61 4.22 -2.00 0.12 114.58 119.18 2avy h GLU 69 Ca 0.75 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 60.19 2avy h GLU 69 Cb 1.88 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 2avy h GLU 69 CO -0.78 -0.24 -0.10 -0.39 -2.18 0.00 0.00 179.01 175.33 2avy h VAL 70 N -0.37 0.89 0.00 0.32 -1.51 -1.66 -2.09 116.25 111.83 2avy h VAL 70 Ca 0.05 -0.35 -0.12 0.00 -1.23 0.00 0.00 66.70 65.04 2avy h VAL 70 Cb 0.50 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2avy h VAL 70 CO -0.44 0.09 -0.59 0.16 -1.23 0.00 0.00 177.57 175.56 2avy h ILE 71 N 0.00 1.12 0.00 7.19 -0.00 -1.22 -2.76 117.51 121.85 2avy h ILE 71 Ca -0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 64.86 62.56 2avy h ILE 71 Cb 0.19 2.36 0.00 0.00 -0.00 0.00 0.00 36.82 39.37 2avy h ILE 71 CO 0.01 0.58 0.00 -0.78 -0.00 0.00 0.00 178.15 177.97 2avy h ASP 72 N 0.00 0.00 1.20 2.16 3.58 -0.28 -0.43 116.42 122.65 2avy h ASP 72 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2avy h ASP 72 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 2avy h ASP 72 CO 0.08 0.00 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.84 2avy h GLU 73 N 0.00 0.00 -0.33 0.28 4.39 -1.43 -3.22 114.58 114.27 2avy h GLU 73 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2avy h GLU 73 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2avy h GLU 73 CO 0.00 0.27 -0.41 1.25 -1.16 0.00 0.00 179.01 178.96 2avy h LEU 74 N 0.00 0.93 -1.48 1.33 5.85 -1.13 -3.13 115.31 117.68 2avy h LEU 74 Ca -0.00 -0.49 0.20 0.00 0.84 0.00 0.00 57.88 58.43 2avy h LEU 74 Cb 0.94 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 2avy h LEU 74 CO 0.03 1.23 0.60 -0.33 -0.34 0.00 0.00 178.44 179.64 2avy h GLU 75 N 0.64 0.41 0.52 1.25 3.07 -1.59 0.22 114.58 119.10 2avy h GLU 75 Ca 0.04 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2avy h GLU 75 Cb 1.01 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2avy h GLU 75 CO 0.10 0.27 -0.25 1.79 -1.40 0.00 0.00 179.01 179.52 2avy h THR 76 N 0.43 0.08 -0.00 1.13 1.35 -1.71 -0.35 112.91 113.83 2avy h THR 76 Ca 0.47 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2avy h THR 76 Cb 1.15 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 2avy h THR 76 CO -0.19 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 175.81 2avy h THR 77 N -1.16 0.15 0.05 6.82 1.35 -1.46 -0.37 112.91 118.30 2avy h THR 77 Ca -0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.69 2avy h THR 77 Cb 0.56 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2avy h THR 77 CO 0.12 0.00 -0.44 -0.26 -0.25 0.00 0.00 175.52 174.69 2avy h PHE 78 N 0.00 0.35 0.43 4.73 0.05 -0.50 -3.34 116.94 118.66 2avy h PHE 78 Ca 0.00 -0.22 -0.02 0.00 3.82 0.00 0.00 57.97 61.55 2avy h PHE 78 Cb 0.01 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 37.94 2avy h PHE 78 CO 0.00 1.11 -0.21 0.00 -0.18 0.00 0.00 178.31 179.03 2avy h ARG 79 N -0.51 -0.56 -2.23 1.51 2.47 -0.21 -3.16 114.38 111.68 2avy h ARG 79 Ca -0.07 0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 2avy h ARG 79 Cb 1.26 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.68 2avy h ARG 79 CO 0.08 -0.26 -0.08 1.19 0.56 0.00 0.00 179.97 181.46 2avy n PHE 80 N -5.24 0.00 -3.31 3.04 3.72 -0.23 -4.41 117.46 111.04 2avy n PHE 80 Ca -0.10 -0.95 -0.12 0.00 -0.05 0.00 0.00 57.45 56.23 2avy n PHE 80 Cb 0.29 -1.02 -0.06 0.00 -0.94 0.00 0.00 39.48 37.76 2avy n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2avy s ASN 81 N 2.23 0.35 0.60 4.37 3.84 -1.20 -4.92 114.94 120.21 2avy s ASN 81 Ca 0.34 -1.40 0.22 0.00 0.21 0.00 0.00 52.86 52.23 2avy s ASN 81 Cb 0.16 0.97 1.18 0.00 -0.55 0.00 0.00 41.25 43.01 2avy s ASN 81 CO 0.00 -0.23 1.64 0.44 -2.79 0.00 0.00 177.10 176.16 2avy h ASP 82 N 6.95 0.00 0.11 -4.21 3.32 -1.86 -2.10 116.42 118.63 2avy h ASP 82 Ca 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2avy h ASP 82 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2avy h ASP 82 CO 0.17 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.61 2avy h ALA 83 N 1.07 -0.92 -2.30 3.45 0.00 -1.94 -3.41 119.26 115.21 2avy h ALA 83 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 2avy h ALA 83 Cb 0.88 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2avy h ALA 83 CO 0.00 -0.91 1.23 0.54 0.00 0.00 0.00 179.25 180.10 2avy s VAL 84 N -3.43 3.14 -0.05 0.00 0.11 -0.79 0.41 120.40 119.79 2avy s VAL 84 Ca -0.03 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 2avy s VAL 84 Cb 0.00 -3.11 -0.07 0.00 -1.53 0.00 0.00 36.38 31.67 2avy s VAL 84 CO 0.09 -0.02 0.52 0.40 -3.33 0.00 0.00 175.10 172.75 2avy h ILE 85 N 5.76 0.05 -4.01 7.04 2.04 -1.06 -3.46 117.51 123.86 2avy h ILE 85 Ca -0.47 -0.71 -0.57 0.00 1.00 0.00 0.00 64.86 64.12 2avy h ILE 85 Cb 1.22 0.08 -0.23 0.00 -0.74 0.00 0.00 36.82 37.15 2avy h ILE 85 CO 0.95 0.01 -0.83 -0.13 0.00 0.00 0.00 178.15 178.15 2avy s ARG 86 N -2.98 1.21 -0.01 2.37 0.52 -1.21 -5.05 118.95 113.80 2avy s ARG 86 Ca -0.07 -1.08 0.07 0.00 -0.52 0.00 0.00 55.73 54.13 2avy s ARG 86 Cb 0.01 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2avy s ARG 86 CO 0.21 0.34 -0.22 0.45 0.02 0.00 0.00 175.30 176.10 2avy s SER 87 N -1.65 2.60 -0.27 0.23 0.15 -1.26 -2.67 113.70 110.83 2avy s SER 87 Ca 0.07 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2avy s SER 87 Cb -0.10 -0.28 0.16 0.00 -1.71 0.00 0.00 66.02 64.09 2avy s SER 87 CO 0.03 0.27 0.52 -0.32 1.20 0.00 0.00 173.24 174.94 2avy s MET 88 N -0.57 0.48 -0.12 5.44 1.75 -1.24 -5.07 119.30 119.97 2avy s MET 88 Ca 0.09 0.88 -0.01 0.00 -1.25 0.00 0.00 55.69 55.39 2avy s MET 88 Cb -0.09 0.20 0.03 0.00 2.84 0.00 0.00 34.83 37.82 2avy s MET 88 CO -0.01 -0.58 -0.04 0.54 -0.65 0.00 0.00 175.02 174.28 2avy s VAL 89 N 2.74 0.86 0.78 10.11 0.11 -1.26 -1.63 120.40 132.12 2avy s VAL 89 Ca 0.15 -0.30 -0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2avy s VAL 89 Cb -0.15 -0.99 0.16 0.00 -1.53 0.00 0.00 36.38 33.88 2avy s VAL 89 CO -0.19 0.24 1.07 0.23 -3.33 0.00 0.00 175.10 173.13 2avy n MET 90 N 4.98 -0.40 -2.01 1.54 2.81 -0.68 -4.94 117.12 118.43 2avy n MET 90 Ca -0.11 -2.54 -0.23 0.00 -1.81 0.00 0.00 57.70 53.01 2avy n MET 90 Cb 0.49 -0.83 0.14 0.00 -0.71 0.00 0.00 33.22 32.31 2avy n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2avy n ARG 91 N -3.07 -0.56 0.00 0.03 1.85 -1.26 -3.34 116.66 110.31 2avy n ARG 91 Ca 0.16 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 2avy n ARG 91 Cb 0.58 -0.88 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 2avy n ARG 91 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2avy n THR 92 N -3.13 0.00 -2.79 8.89 5.66 -0.72 -4.38 114.28 117.81 2avy n THR 92 Ca 0.15 0.56 -0.12 0.00 -3.05 0.00 0.00 64.05 61.59 2avy n THR 92 Cb 0.51 -1.27 0.03 0.00 -1.55 0.00 0.00 70.33 68.05 2avy n THR 92 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2avy n LYS 93 N -0.10 -3.07 -1.36 1.09 0.00 -1.26 -4.61 118.16 108.85 2avy n LYS 93 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.77 2avy n LYS 93 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 35.03 30.65 2avy n LYS 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2avy n HIS 94 N -3.87 -3.74 -1.43 5.64 8.25 -1.26 -4.86 115.22 113.95 2avy n HIS 94 Ca -0.04 2.00 -0.56 0.00 -0.26 0.00 0.00 57.72 58.86 2avy n HIS 94 Cb 0.55 -3.15 -0.08 0.00 1.12 0.00 0.00 29.99 28.43 2avy n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2avy n ALA 95 N -1.28 -2.80 -2.92 -1.41 0.00 -1.26 -4.97 120.51 105.88 2avy n ALA 95 Ca 0.00 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 2avy n ALA 95 Cb 0.10 -1.64 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 2avy n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2avy s VAL 96 N 0.74 3.03 -0.04 0.00 1.01 -1.26 -5.12 120.40 118.77 2avy s VAL 96 Ca 0.86 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2avy s VAL 96 Cb -1.21 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2avy s VAL 96 CO 0.58 0.54 0.18 -0.89 0.00 0.00 0.00 175.10 175.51 2avy s THR 97 N 0.06 0.04 0.00 3.92 2.01 -1.26 -4.45 115.64 115.96 2avy s THR 97 Ca -0.05 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2avy s THR 97 Cb -0.15 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2avy s THR 97 CO 0.04 -0.18 0.00 1.21 -0.69 0.00 0.00 174.62 175.00 2avy n GLU 98 N 2.20 0.00 0.00 4.92 2.13 -1.26 -4.90 120.64 123.73 2avy n GLU 98 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2avy n GLU 98 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 2avy n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2avy n ALA 99 N 0.43 0.00 -0.91 4.31 0.00 -1.26 -5.08 120.51 117.99 2avy n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2avy n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2avy n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93