#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy n ILE 4 N 0.00 1.41 -0.28 3.15 -6.64 -1.26 -4.94 119.36 110.80 2avy n ILE 4 Ca 0.00 -0.51 0.00 0.00 -1.77 0.00 0.00 62.75 60.47 2avy n ILE 4 Cb 0.00 -1.45 0.00 0.00 -1.44 0.00 0.00 39.64 36.75 2avy n ILE 4 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 2avy n ARG 5 N -3.38 0.00 -3.13 6.28 0.63 -1.26 -5.11 116.66 110.69 2avy n ARG 5 Ca -0.45 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.48 2avy n ARG 5 Cb 0.95 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.86 2avy n ARG 5 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2avy n THR 6 N 0.00 -2.57 -2.60 5.15 -2.24 -1.26 -4.86 114.28 105.89 2avy n THR 6 Ca 0.00 0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 61.88 2avy n THR 6 Cb 0.00 -3.19 -0.03 0.00 -2.10 0.00 0.00 70.33 65.01 2avy n THR 6 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2avy s LEU 7 N -0.85 4.32 0.00 3.22 1.43 -1.25 -4.87 118.68 120.68 2avy s LEU 7 Ca -0.00 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2avy s LEU 7 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2avy s LEU 7 CO 0.06 -0.41 0.84 0.00 0.23 0.00 0.00 176.35 177.07 2avy n GLN 8 N 4.46 0.98 -1.13 1.70 6.02 -1.25 -3.32 117.38 124.83 2avy n GLN 8 Ca 0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.71 2avy n GLN 8 Cb 0.49 -1.14 0.04 0.00 1.02 0.00 0.00 30.24 30.65 2avy n GLN 8 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2avy n GLY 9 N 0.37 -3.21 3.80 1.08 0.00 -1.23 -4.19 105.19 101.82 2avy n GLY 9 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2avy n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2avy s ARG 10 N -2.01 3.26 -0.80 1.61 6.06 -1.15 -1.84 118.95 124.09 2avy s ARG 10 Ca 0.53 -0.25 -0.25 0.00 -2.50 0.00 0.00 55.73 53.26 2avy s ARG 10 Cb -0.33 -3.03 -0.03 0.00 0.06 0.00 0.00 34.95 31.63 2avy s ARG 10 CO 0.70 0.74 1.87 0.08 -2.50 0.00 0.00 175.30 176.19 2avy s VAL 11 N -0.95 3.45 0.21 7.11 1.01 -1.26 0.03 120.40 130.00 2avy s VAL 11 Ca 0.14 -0.17 0.24 0.00 0.00 0.00 0.00 61.98 62.20 2avy s VAL 11 Cb -0.12 -4.07 0.24 0.00 0.00 0.00 0.00 36.38 32.43 2avy s VAL 11 CO 0.03 -1.02 1.88 1.62 0.00 0.00 0.00 175.10 177.61 2avy h VAL 12 N 7.06 0.59 -3.31 2.92 3.04 -1.52 -3.37 116.25 121.67 2avy h VAL 12 Ca -0.04 -1.01 -0.03 0.00 -1.01 0.00 0.00 66.70 64.61 2avy h VAL 12 Cb 1.06 1.67 -0.11 0.00 -2.01 0.00 0.00 31.29 31.90 2avy h VAL 12 CO 1.23 0.21 0.01 -0.55 -1.01 0.00 0.00 177.57 177.46 2avy s SER 13 N -6.20 -0.28 -0.33 3.17 0.15 -1.06 -5.00 113.70 104.15 2avy s SER 13 Ca -0.00 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 2avy s SER 13 Cb 0.11 0.55 0.19 0.00 -1.71 0.00 0.00 66.02 65.16 2avy s SER 13 CO 0.63 -0.98 0.84 -0.62 1.20 0.00 0.00 173.24 174.31 2avy s ASP 14 N -2.84 -0.94 0.00 5.45 3.68 -1.26 -1.77 116.67 118.99 2avy s ASP 14 Ca 0.06 -0.15 0.00 0.00 2.13 0.00 0.00 52.55 54.60 2avy s ASP 14 Cb -0.00 1.41 0.00 0.00 -1.45 0.00 0.00 42.92 42.88 2avy s ASP 14 CO -0.07 -0.14 0.00 1.17 0.13 0.00 0.00 175.17 176.26 2avy n LYS 15 N 4.70 0.00 -0.51 4.34 3.00 -1.26 -5.08 118.16 123.35 2avy n LYS 15 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.11 2avy n LYS 15 Cb 0.58 -0.35 0.21 0.00 0.00 0.00 0.00 35.03 35.47 2avy n LYS 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2avy n MET 16 N -2.31 -2.59 -3.15 1.64 2.81 -1.26 -4.93 117.12 107.32 2avy n MET 16 Ca 0.00 -0.75 -0.40 0.00 -1.81 0.00 0.00 57.70 54.74 2avy n MET 16 Cb 0.15 -1.78 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 2avy n MET 16 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2avy s GLU 17 N -3.93 4.13 0.00 0.03 2.12 -1.26 -4.10 118.70 115.69 2avy s GLU 17 Ca 0.56 0.50 0.00 0.00 0.36 0.00 0.00 54.97 56.39 2avy s GLU 17 Cb -0.13 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.63 2avy s GLU 17 CO 0.57 -0.33 0.00 1.63 -0.54 0.00 0.00 175.26 176.59 2avy n LYS 18 N 5.41 0.00 -2.53 4.30 5.02 -1.26 -4.91 118.16 124.20 2avy n LYS 18 Ca -0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 2avy n LYS 18 Cb 0.49 -2.81 -0.00 0.00 -0.02 0.00 0.00 35.03 32.69 2avy n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2avy s SER 19 N -1.04 6.27 0.04 4.39 0.01 -1.26 0.21 113.70 122.32 2avy s SER 19 Ca 0.00 1.01 -0.27 0.00 1.31 0.00 0.00 55.95 58.00 2avy s SER 19 Cb 0.00 -2.28 0.09 0.00 0.21 0.00 0.00 66.02 64.03 2avy s SER 19 CO 0.00 -0.61 0.75 0.27 0.41 0.00 0.00 173.24 174.06 2avy s ILE 20 N -2.79 0.00 0.01 1.44 -4.36 -1.25 -4.33 121.20 109.92 2avy s ILE 20 Ca 0.49 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.92 2avy s ILE 20 Cb -0.10 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 2avy s ILE 20 CO 0.46 0.00 -0.12 -0.69 0.24 0.00 0.00 174.94 174.83 2avy s VAL 21 N -2.91 3.24 -0.08 8.37 1.01 -0.73 -0.34 120.40 128.96 2avy s VAL 21 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 2avy s VAL 21 Cb -0.01 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2avy s VAL 21 CO -0.07 0.39 0.20 -0.69 0.00 0.00 0.00 175.10 174.93 2avy s VAL 22 N -0.94 -0.00 0.71 2.92 1.01 0.68 -1.29 120.40 123.48 2avy s VAL 22 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2avy s VAL 22 Cb -0.11 -0.29 0.14 0.00 0.00 0.00 0.00 36.38 36.13 2avy s VAL 22 CO 0.06 0.00 0.97 0.00 0.00 0.00 0.00 175.10 176.13 2avy n ALA 23 N 2.99 0.03 -3.65 5.51 0.00 0.10 -0.50 120.51 125.00 2avy n ALA 23 Ca -0.13 -1.83 -0.09 0.00 0.00 0.00 0.00 53.44 51.39 2avy n ALA 23 Cb 0.59 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.22 2avy n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2avy s ILE 24 N -2.99 -0.01 0.34 0.00 1.09 -1.14 -2.92 121.20 115.57 2avy s ILE 24 Ca 0.63 0.04 -0.23 0.00 -1.10 0.00 0.00 60.65 59.99 2avy s ILE 24 Cb -0.03 -0.82 -0.10 0.00 -1.06 0.00 0.00 42.46 40.45 2avy s ILE 24 CO 0.42 0.02 0.90 -1.83 -0.10 0.00 0.00 174.94 174.35 2avy s GLU 25 N 1.41 4.41 -0.30 2.79 4.04 -1.26 -2.72 118.70 127.06 2avy s GLU 25 Ca -0.09 1.17 -0.14 0.00 0.04 0.00 0.00 54.97 55.95 2avy s GLU 25 Cb -0.06 -2.62 0.16 0.00 0.02 0.00 0.00 34.13 31.63 2avy s GLU 25 CO -0.15 0.21 0.93 0.50 -1.84 0.00 0.00 175.26 174.91 2avy s ARG 26 N -2.40 0.34 0.17 -4.83 3.52 -0.75 -4.94 118.95 110.05 2avy s ARG 26 Ca 0.53 0.83 0.03 0.00 -0.13 0.00 0.00 55.73 56.98 2avy s ARG 26 Cb -0.15 0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2avy s ARG 26 CO 0.20 -0.14 0.30 -0.06 -0.81 0.00 0.00 175.30 174.80 2avy s PHE 27 N 2.56 3.48 -0.30 5.12 0.08 -1.26 0.12 117.98 127.78 2avy s PHE 27 Ca -0.02 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.04 2avy s PHE 27 Cb -0.07 -1.66 0.14 0.00 -0.57 0.00 0.00 43.02 40.86 2avy s PHE 27 CO -0.17 0.50 0.67 0.54 -0.10 0.00 0.00 175.22 176.65 2avy s VAL 28 N -1.79 -0.96 -0.06 -0.44 0.11 -1.19 -4.82 120.40 111.25 2avy s VAL 28 Ca 0.35 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 2avy s VAL 28 Cb -0.11 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 2avy s VAL 28 CO 0.29 0.00 2.06 -0.54 -3.33 0.00 0.00 175.10 173.57 2avy s LYS 29 N 2.87 3.77 0.08 1.54 -0.14 -1.24 -0.86 119.74 125.75 2avy s LYS 29 Ca -0.02 2.39 -0.37 0.00 -1.36 0.00 0.00 55.97 56.62 2avy s LYS 29 Cb -0.12 -4.24 -0.18 0.00 -1.68 0.00 0.00 37.83 31.62 2avy s LYS 29 CO -0.19 -1.38 1.20 1.58 -0.76 0.00 0.00 175.35 175.80 2avy n HIS 30 N 9.05 1.13 -0.07 3.18 -0.00 -0.26 -4.51 115.22 123.75 2avy n HIS 30 Ca 0.23 0.78 0.25 0.00 -0.00 0.00 0.00 57.72 58.99 2avy n HIS 30 Cb 0.43 -2.24 0.72 0.00 -0.00 0.00 0.00 29.99 28.90 2avy n HIS 30 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2avy h PRO 31 N 3.75 0.00 0.00 1.57 0.13 -1.92 0.14 132.00 135.67 2avy h PRO 31 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2avy h PRO 31 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2avy h PRO 31 CO 0.72 0.00 -0.84 0.44 -0.23 0.00 0.00 178.00 178.09 2avy n ILE 32 N -4.11 0.00 0.83 -3.56 -5.35 -1.26 -4.74 119.36 101.17 2avy n ILE 32 Ca 0.14 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.74 2avy n ILE 32 Cb 0.81 -0.66 0.31 0.00 -1.74 0.00 0.00 39.64 38.36 2avy n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2avy n TYR 33 N -2.01 0.26 -2.97 4.28 0.53 -1.22 -5.02 117.16 111.02 2avy n TYR 33 Ca 0.00 0.08 -0.02 0.00 -1.02 0.00 0.00 57.90 56.94 2avy n TYR 33 Cb 0.42 -0.49 0.00 0.00 -1.03 0.00 0.00 39.34 38.24 2avy n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2avy n GLY 34 N 1.43 -2.10 3.28 2.72 0.00 0.49 -4.83 105.19 106.18 2avy n GLY 34 Ca 0.05 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.42 2avy n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2avy s LYS 35 N -1.43 0.17 -0.54 1.61 2.20 -1.26 -4.67 119.74 115.83 2avy s LYS 35 Ca 0.03 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.80 2avy s LYS 35 Cb -0.00 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.50 2avy s LYS 35 CO 0.44 -0.08 2.32 -0.06 -0.36 0.00 0.00 175.35 177.61 2avy s PHE 36 N 2.39 1.17 -0.30 4.03 0.40 -1.23 -1.10 117.98 123.34 2avy s PHE 36 Ca -0.01 1.48 -0.19 0.00 -0.60 0.00 0.00 56.93 57.61 2avy s PHE 36 Cb -0.05 -3.65 -0.02 0.00 0.51 0.00 0.00 43.02 39.82 2avy s PHE 36 CO -0.16 -2.41 0.55 0.42 0.70 0.00 0.00 175.22 174.32 2avy s ILE 37 N 11.94 5.01 0.34 0.64 1.01 -0.04 -4.44 121.20 135.66 2avy s ILE 37 Ca 0.92 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 2avy s ILE 37 Cb -0.16 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.28 2avy s ILE 37 CO 0.23 -0.07 1.44 1.17 0.00 0.00 0.00 174.94 177.72 2avy n LYS 38 N 5.70 2.46 -4.01 2.79 4.81 -1.26 -3.14 118.16 125.53 2avy n LYS 38 Ca -0.03 0.87 -0.10 0.00 -0.87 0.00 0.00 58.31 58.17 2avy n LYS 38 Cb 0.49 -2.56 -0.11 0.00 0.02 0.00 0.00 35.03 32.88 2avy n LYS 38 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2avy s ARG 39 N -1.61 0.38 0.06 1.64 1.81 0.33 -4.95 118.95 116.61 2avy s ARG 39 Ca 0.57 -0.68 0.06 0.00 -1.72 0.00 0.00 55.73 53.96 2avy s ARG 39 Cb -0.52 0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 2avy s ARG 39 CO 0.59 -0.03 -0.11 0.99 -0.68 0.00 0.00 175.30 176.06 2avy s THR 40 N -1.56 3.29 -0.26 0.02 2.01 -1.25 -1.81 115.64 116.09 2avy s THR 40 Ca -0.13 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.77 2avy s THR 40 Cb -0.09 -2.47 0.07 0.00 0.01 0.00 0.00 72.50 70.01 2avy s THR 40 CO -0.01 0.25 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.23 2avy s THR 41 N -1.08 1.70 -1.24 -0.82 2.01 -1.10 -4.86 115.64 110.26 2avy s THR 41 Ca 0.18 -1.44 -0.19 0.00 0.31 0.00 0.00 61.69 60.55 2avy s THR 41 Cb -0.11 -1.98 0.06 0.00 0.01 0.00 0.00 72.50 70.48 2avy s THR 41 CO 0.10 -0.17 1.68 -0.75 -0.69 0.00 0.00 174.62 174.78 2avy s LYS 42 N 1.29 3.89 0.20 4.92 2.20 -1.26 -2.90 119.74 128.08 2avy s LYS 42 Ca -0.04 -1.79 -0.03 0.00 -0.36 0.00 0.00 55.97 53.75 2avy s LYS 42 Cb -0.19 -5.50 -0.05 0.00 -1.51 0.00 0.00 37.83 30.58 2avy s LYS 42 CO -0.07 -2.26 0.41 -1.17 -0.36 0.00 0.00 175.35 171.90 2avy s LEU 43 N 4.45 4.21 0.10 5.43 2.96 0.35 -4.88 118.68 131.30 2avy s LEU 43 Ca 0.52 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.95 2avy s LEU 43 Cb 0.03 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 2avy s LEU 43 CO 0.04 -0.03 0.27 -1.00 -1.32 0.00 0.00 176.35 174.31 2avy s HIS 44 N -1.83 3.50 0.00 5.38 3.76 -1.26 -0.23 115.29 124.61 2avy s HIS 44 Ca 0.40 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 2avy s HIS 44 Cb -0.11 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2avy s HIS 44 CO 0.28 0.53 0.00 0.28 -0.85 0.00 0.00 174.74 174.97 2avy n VAL 45 N 0.03 0.00 -3.63 -0.90 0.31 0.54 -3.84 118.33 110.83 2avy n VAL 45 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 2avy n VAL 45 Cb 0.52 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.38 2avy n VAL 45 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2avy s HIS 46 N 0.35 -0.69 -0.30 3.52 5.04 -0.68 -3.90 115.29 118.63 2avy s HIS 46 Ca 0.00 1.66 -0.18 0.00 -1.54 0.00 0.00 55.06 55.01 2avy s HIS 46 Cb 0.00 0.32 0.18 0.00 0.04 0.00 0.00 32.58 33.12 2avy s HIS 46 CO 0.00 -0.33 1.21 0.16 -2.34 0.00 0.00 174.74 173.43 2avy s ASP 47 N 0.39 -0.18 0.24 9.88 -4.77 0.13 -2.34 116.67 120.02 2avy s ASP 47 Ca 0.01 0.19 -0.04 0.00 -3.30 0.00 0.00 52.55 49.40 2avy s ASP 47 Cb -0.05 1.18 0.28 0.00 -1.09 0.00 0.00 42.92 43.24 2avy s ASP 47 CO -0.02 -0.03 1.75 -0.33 0.70 0.00 0.00 175.17 177.23 2avy h GLU 48 N 7.51 0.91 0.00 2.11 5.08 -1.96 -2.87 114.58 125.36 2avy h GLU 48 Ca -0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2avy h GLU 48 Cb 1.15 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2avy h GLU 48 CO -0.04 0.86 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.89 2avy h ASN 49 N 0.85 0.00 -0.78 1.42 4.21 -1.96 -3.43 115.58 115.89 2avy h ASN 49 Ca 0.17 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.35 2avy h ASN 49 Cb 0.41 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.48 2avy h ASN 49 CO 0.01 0.03 -0.30 0.59 -1.29 0.00 0.00 177.43 176.46 2avy n ASN 50 N -3.36 -5.58 -0.24 5.81 4.13 -1.08 -4.80 115.26 110.14 2avy n ASN 50 Ca -0.02 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.64 2avy n ASN 50 Cb 0.14 -4.53 0.00 0.00 -1.54 0.00 0.00 39.78 33.85 2avy n ASN 50 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2avy n GLU 51 N -1.71 0.64 -2.64 3.52 0.28 -1.26 -4.76 120.64 114.71 2avy n GLU 51 Ca -0.16 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.41 2avy n GLU 51 Cb 0.64 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.33 2avy n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2avy s GLY 53 N 2.07 1.90 0.44 0.00 0.00 -1.26 -5.02 107.32 105.45 2avy s GLY 53 Ca 0.46 -0.99 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 2avy s GLY 53 CO 0.24 0.45 1.38 -1.50 0.00 0.00 0.00 173.10 173.66 2avy s ILE 54 N 1.29 2.28 0.00 0.90 2.07 -1.26 -3.10 121.20 123.38 2avy s ILE 54 Ca 0.06 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2avy s ILE 54 Cb -0.14 -3.15 0.00 0.00 0.13 0.00 0.00 42.46 39.30 2avy s ILE 54 CO 0.06 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 2avy n GLY 55 N 0.61 0.71 0.00 1.50 0.00 -1.26 -4.52 105.19 102.24 2avy n GLY 55 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2avy n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2avy n ASP 56 N 0.45 0.00 -3.25 1.61 8.00 -1.18 -4.34 116.55 117.83 2avy n ASP 56 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2avy n ASP 56 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2avy n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2avy s VAL 57 N 4.64 -0.77 0.51 2.53 1.01 -1.25 -4.72 120.40 122.35 2avy s VAL 57 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2avy s VAL 57 Cb 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2avy s VAL 57 CO 0.00 -0.14 0.73 0.68 0.00 0.00 0.00 175.10 176.37 2avy s VAL 58 N 2.66 3.13 -0.25 2.92 -7.23 -0.77 -1.42 120.40 119.43 2avy s VAL 58 Ca 0.12 -0.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 2avy s VAL 58 Cb -0.13 -3.16 0.06 0.00 0.56 0.00 0.00 36.38 33.71 2avy s VAL 58 CO -0.25 -0.11 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.72 2avy s GLU 59 N -4.68 2.08 0.32 4.82 0.41 -0.91 -3.46 118.70 117.27 2avy s GLU 59 Ca 0.54 -1.26 0.07 0.00 -0.41 0.00 0.00 54.97 53.91 2avy s GLU 59 Cb -0.10 -2.81 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 2avy s GLU 59 CO 0.38 -0.58 0.39 0.96 -0.49 0.00 0.00 175.26 175.92 2avy s ILE 60 N 1.18 4.02 -0.18 -1.63 -0.00 -1.21 -0.99 121.20 122.39 2avy s ILE 60 Ca -0.08 -1.14 -0.25 0.00 -0.00 0.00 0.00 60.65 59.19 2avy s ILE 60 Cb -0.20 -3.38 0.06 0.00 -0.00 0.00 0.00 42.46 38.95 2avy s ILE 60 CO -0.05 -0.19 0.64 0.00 -0.00 0.00 0.00 174.94 175.34 2avy s ARG 61 N -4.08 0.84 0.33 0.37 1.70 -1.23 -3.87 118.95 113.00 2avy s ARG 61 Ca 0.42 0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 56.05 2avy s ARG 61 Cb -0.08 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.59 2avy s ARG 61 CO 0.29 -0.16 1.55 -1.21 -1.08 0.00 0.00 175.30 174.69 2avy s GLU 62 N -0.18 4.11 0.34 3.89 8.01 -1.26 -3.72 118.70 129.90 2avy s GLU 62 Ca -0.04 2.58 -0.07 0.00 0.01 0.00 0.00 54.97 57.46 2avy s GLU 62 Cb -0.03 -3.00 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 2avy s GLU 62 CO 0.04 -0.60 0.55 0.00 0.01 0.00 0.00 175.26 175.26 2avy s ARG 64 N -2.98 3.99 0.12 0.00 3.52 -1.26 -4.75 118.95 117.59 2avy s ARG 64 Ca 0.26 2.40 -0.33 0.00 -0.13 0.00 0.00 55.73 57.93 2avy s ARG 64 Cb -0.02 -2.85 -0.13 0.00 -1.56 0.00 0.00 34.95 30.40 2avy s ARG 64 CO 0.17 -0.56 1.70 -0.35 -0.81 0.00 0.00 175.30 175.44 2avy n PRO 65 N 0.25 2.39 -0.07 5.12 -0.04 -1.26 -4.75 135.00 136.64 2avy n PRO 65 Ca 0.03 0.87 -0.07 0.00 -0.04 0.00 0.00 63.50 64.28 2avy n PRO 65 Cb 0.41 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.16 2avy n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2avy n LEU 66 N 4.43 1.79 -4.65 1.53 4.77 -0.85 -5.00 117.00 119.01 2avy n LEU 66 Ca 0.18 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 56.20 2avy n LEU 66 Cb 0.32 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2avy n LEU 66 CO 0.65 -0.35 -0.27 -0.44 -1.33 0.00 0.00 177.39 175.65 2avy s SER 67 N -5.91 4.20 -0.19 -1.43 0.01 -0.78 -5.02 113.70 104.58 2avy s SER 67 Ca -0.24 -1.06 -0.28 0.00 1.31 0.00 0.00 55.95 55.68 2avy s SER 67 Cb 0.03 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 2avy s SER 67 CO 0.36 -0.34 2.15 -0.75 0.41 0.00 0.00 173.24 175.07 2avy s LYS 68 N -3.76 3.30 0.00 12.44 2.20 -1.26 -1.38 119.74 131.29 2avy s LYS 68 Ca 0.36 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2avy s LYS 68 Cb 0.02 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 2avy s LYS 68 CO 0.20 -1.91 0.00 2.41 -0.36 0.00 0.00 175.35 175.69 2avy n THR 69 N 7.38 0.00 -3.14 3.43 -1.04 -1.26 -5.00 114.28 114.66 2avy n THR 69 Ca 0.28 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.89 2avy n THR 69 Cb 0.44 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 2avy n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2avy s LYS 70 N -0.02 4.30 0.00 -2.82 2.20 -0.48 -4.87 119.74 118.06 2avy s LYS 70 Ca 0.00 0.66 0.07 0.00 -0.36 0.00 0.00 55.97 56.34 2avy s LYS 70 Cb 0.00 -3.51 0.12 0.00 -1.51 0.00 0.00 37.83 32.93 2avy s LYS 70 CO 0.00 -0.08 0.98 0.43 -0.36 0.00 0.00 175.35 176.32 2avy n SER 71 N 4.43 -0.23 -4.11 1.43 7.64 -1.26 -1.86 113.62 119.65 2avy n SER 71 Ca -0.02 -1.86 -0.22 0.00 1.01 0.00 0.00 58.87 57.77 2avy n SER 71 Cb 0.50 0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.61 2avy n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2avy s TRP 72 N 0.00 1.25 -0.02 1.43 0.52 -1.25 -2.36 118.94 118.50 2avy s TRP 72 Ca 0.09 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 56.04 2avy s TRP 72 Cb 0.11 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 2avy s TRP 72 CO -0.05 -0.02 -0.21 0.95 0.02 0.00 0.00 176.95 177.64 2avy s THR 73 N -0.33 1.68 -0.13 2.01 -4.23 -1.24 -1.69 115.64 111.70 2avy s THR 73 Ca 0.05 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.38 2avy s THR 73 Cb -0.05 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 2avy s THR 73 CO -0.01 0.47 0.99 -0.22 -0.54 0.00 0.00 174.62 175.32 2avy s LEU 74 N -0.40 4.22 -0.10 4.79 1.98 -0.99 -3.56 118.68 124.62 2avy s LEU 74 Ca 0.06 1.46 -0.06 0.00 -2.89 0.00 0.00 54.13 52.70 2avy s LEU 74 Cb -0.09 -3.51 -0.02 0.00 0.66 0.00 0.00 46.19 43.23 2avy s LEU 74 CO -0.00 -0.47 -0.11 -0.37 -1.89 0.00 0.00 176.35 173.51 2avy h VAL 75 N 5.16 0.00 -3.86 1.68 -1.51 -1.41 -3.47 116.25 112.84 2avy h VAL 75 Ca -0.29 -0.73 -0.25 0.00 -1.23 0.00 0.00 66.70 64.20 2avy h VAL 75 Cb 1.13 0.00 -0.17 0.00 -2.13 0.00 0.00 31.29 30.12 2avy h VAL 75 CO 0.87 0.00 -0.71 0.00 -1.23 0.00 0.00 177.57 176.50 2avy s ARG 76 N -1.83 0.73 -0.01 5.19 1.04 -1.26 -5.02 118.95 117.79 2avy s ARG 76 Ca -0.09 -1.11 0.07 0.00 -1.04 0.00 0.00 55.73 53.56 2avy s ARG 76 Cb 0.01 -0.28 -0.02 0.00 -2.04 0.00 0.00 34.95 32.62 2avy s ARG 76 CO 0.14 0.02 -0.24 0.08 -0.04 0.00 0.00 175.30 175.26 2avy s VAL 77 N -2.69 2.24 0.00 4.99 1.01 -1.26 -2.15 120.40 122.54 2avy s VAL 77 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2avy s VAL 77 Cb -0.01 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2avy s VAL 77 CO -0.02 0.55 0.00 1.33 0.00 0.00 0.00 175.10 176.96 2avy n VAL 78 N 2.31 0.00 -0.82 2.92 0.24 -0.51 -5.03 118.33 117.44 2avy n VAL 78 Ca -0.16 0.08 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 2avy n VAL 78 Cb 0.51 -0.97 0.14 0.00 -1.47 0.00 0.00 33.84 32.05 2avy n VAL 78 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2avy n GLU 79 N -1.62 -0.25 -4.16 7.34 4.07 -1.25 -4.86 120.64 119.92 2avy n GLU 79 Ca 0.00 -0.01 -0.11 0.00 -0.06 0.00 0.00 57.16 56.98 2avy n GLU 79 Cb 0.00 -2.20 -0.10 0.00 -0.06 0.00 0.00 31.44 29.08 2avy n GLU 79 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 2avy s LYS 80 N -4.13 1.06 1.77 5.31 0.00 -1.26 -3.76 119.74 118.73 2avy s LYS 80 Ca 0.65 -1.50 0.00 0.00 0.00 0.00 0.00 55.97 55.13 2avy s LYS 80 Cb -0.24 0.26 0.00 0.00 0.00 0.00 0.00 37.83 37.85 2avy s LYS 80 CO 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 175.35 175.62 2avy n ALA 81 N -0.17 0.00 -0.71 0.59 0.00 -1.26 -4.67 120.51 114.28 2avy n ALA 81 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2avy n ALA 81 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2avy n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05