#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vha n LEU 1 N 0.00 0.03 -3.82 1.04 4.77 -1.26 -4.80 117.00 112.96 1vha n LEU 1 Ca 0.00 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1vha n LEU 1 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1vha n LEU 1 CO 0.00 0.01 -0.31 -0.51 -1.33 0.00 0.00 177.39 175.25 1vha s ILE 2 N -3.22 -0.02 -0.00 -0.08 2.07 -1.26 -2.28 121.20 116.40 1vha s ILE 2 Ca -0.06 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1vha s ILE 2 Cb 0.11 -0.10 -0.01 0.00 0.13 0.00 0.00 42.46 42.59 1vha s ILE 2 CO 0.74 0.03 -0.13 -0.13 -1.91 0.00 0.00 174.94 173.54 1vha s ARG 3 N 0.47 1.07 -0.00 3.50 1.81 0.54 -4.97 118.95 121.36 1vha s ARG 3 Ca -0.04 -0.52 0.03 0.00 -1.72 0.00 0.00 55.73 53.49 1vha s ARG 3 Cb -0.05 -1.04 -0.03 0.00 -0.45 0.00 0.00 34.95 33.38 1vha s ARG 3 CO -0.02 0.28 -0.07 -1.50 -0.68 0.00 0.00 175.30 173.31 1vha s ILE 4 N -0.39 3.62 0.01 1.52 2.07 -1.26 0.48 121.20 127.26 1vha s ILE 4 Ca 0.05 -0.76 -0.08 0.00 -1.41 0.00 0.00 60.65 58.45 1vha s ILE 4 Cb -0.06 -2.56 0.00 0.00 0.13 0.00 0.00 42.46 39.97 1vha s ILE 4 CO -0.00 0.41 0.15 -0.83 -1.91 0.00 0.00 174.94 172.75 1vha s GLY 5 N -1.36 0.06 0.03 1.50 0.00 0.19 -4.01 107.32 103.73 1vha s GLY 5 Ca 0.17 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.72 1vha s GLY 5 CO 0.07 -0.36 -0.14 -1.58 0.00 0.00 0.00 173.10 171.09 1vha s HIS 6 N -1.77 1.22 0.01 1.90 5.04 -1.26 -0.53 115.29 119.90 1vha s HIS 6 Ca -0.12 -0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.08 1vha s HIS 6 Cb -0.05 -0.74 -0.01 0.00 0.04 0.00 0.00 32.58 31.81 1vha s HIS 6 CO -0.00 0.02 -0.02 0.20 -2.34 0.00 0.00 174.74 172.60 1vha s GLY 7 N -0.93 0.15 -0.02 1.59 0.00 0.13 -3.65 107.32 104.59 1vha s GLY 7 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 1vha s GLY 7 CO 0.01 -0.40 0.05 -0.12 0.00 0.00 0.00 173.10 172.63 1vha s PHE 8 N -0.88 -0.04 -0.01 1.90 5.36 -1.26 -0.27 117.98 122.79 1vha s PHE 8 Ca -0.10 0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 55.88 1vha s PHE 8 Cb -0.06 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1vha s PHE 8 CO -0.01 -0.05 0.28 0.34 -1.46 0.00 0.00 175.22 174.32 1vha s ASP 9 N 0.35 -0.15 0.03 6.13 2.15 -0.63 -4.73 116.67 119.81 1vha s ASP 9 Ca -0.03 0.03 0.03 0.00 0.43 0.00 0.00 52.55 53.01 1vha s ASP 9 Cb -0.04 0.29 -0.02 0.00 -0.30 0.00 0.00 42.92 42.86 1vha s ASP 9 CO -0.01 -0.43 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.79 1vha s VAL 10 N -1.32 0.61 -0.14 1.11 1.01 -1.26 -0.84 120.40 119.56 1vha s VAL 10 Ca -0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1vha s VAL 10 Cb -0.06 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1vha s VAL 10 CO 0.04 -0.20 -0.03 -2.28 0.00 0.00 0.00 175.10 172.62 1vha s HIS 11 N -1.00 1.35 0.04 5.22 2.46 -0.26 -4.96 115.29 118.13 1vha s HIS 11 Ca -0.05 -0.81 -0.19 0.00 0.47 0.00 0.00 55.06 54.47 1vha s HIS 11 Cb -0.08 -1.15 -0.06 0.00 -0.13 0.00 0.00 32.58 31.16 1vha s HIS 11 CO 0.00 -0.54 0.57 0.00 -2.47 0.00 0.00 174.74 172.30 1vha s ALA 12 N 1.75 3.56 0.37 1.58 0.00 -1.26 -1.86 121.76 125.90 1vha s ALA 12 Ca 0.02 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1vha s ALA 12 Cb -0.15 -2.66 -0.09 0.00 0.00 0.00 0.00 23.12 20.23 1vha s ALA 12 CO -0.07 0.31 1.16 -0.06 0.00 0.00 0.00 175.76 177.10 1vha s PHE 13 N -0.75 3.18 -0.16 0.00 0.08 -0.89 -4.73 117.98 114.70 1vha s PHE 13 Ca 0.29 1.58 -0.08 0.00 0.12 0.00 0.00 56.93 58.83 1vha s PHE 13 Cb -0.19 -3.38 0.06 0.00 -0.57 0.00 0.00 43.02 38.95 1vha s PHE 13 CO 0.18 -1.17 0.38 0.20 -0.10 0.00 0.00 175.22 174.72 1vha s GLY 14 N -1.07 -0.30 0.20 4.36 0.00 -1.26 -4.11 107.32 105.15 1vha s GLY 14 Ca 0.54 1.44 0.08 0.00 0.00 0.00 0.00 44.72 46.78 1vha s GLY 14 CO 0.39 1.70 0.03 -1.83 0.00 0.00 0.00 173.10 173.39 1vha s GLU 15 N 1.51 2.47 0.17 2.90 1.03 -0.96 -4.92 118.70 120.90 1vha s GLU 15 Ca -0.09 -1.16 0.06 0.00 0.03 0.00 0.00 54.97 53.82 1vha s GLU 15 Cb -0.09 -2.35 -0.04 0.00 -0.80 0.00 0.00 34.13 30.85 1vha s GLU 15 CO -0.12 0.43 0.08 -0.51 -1.33 0.00 0.00 175.26 173.81 1vha s ASP 16 N -3.22 5.20 -0.18 0.83 1.11 -1.26 -0.65 116.67 118.49 1vha s ASP 16 Ca 0.29 -0.25 -0.05 0.00 0.18 0.00 0.00 52.55 52.72 1vha s ASP 16 Cb -0.09 -1.26 0.09 0.00 1.07 0.00 0.00 42.92 42.74 1vha s ASP 16 CO 0.20 0.07 0.33 -0.60 1.18 0.00 0.00 175.17 176.36 1vha s ARG 17 N -3.06 0.25 0.34 8.23 3.52 0.10 -4.96 118.95 123.38 1vha s ARG 17 Ca 0.30 0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 56.35 1vha s ARG 17 Cb -0.10 -0.15 -0.09 0.00 -1.56 0.00 0.00 34.95 33.05 1vha s ARG 17 CO 0.21 -0.40 1.11 -1.25 -0.81 0.00 0.00 175.30 174.17 1vha s PRO 18 N 2.50 4.36 0.19 5.12 0.04 -1.26 0.07 135.00 146.02 1vha s PRO 18 Ca 0.04 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 1vha s PRO 18 Cb -0.13 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1vha s PRO 18 CO -0.12 -0.03 0.08 -0.51 0.04 0.00 0.00 177.00 176.47 1vha s LEU 19 N -2.03 1.59 -0.24 -3.56 1.43 0.06 -4.88 118.68 111.05 1vha s LEU 19 Ca 0.51 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1vha s LEU 19 Cb -0.29 0.21 0.04 0.00 0.03 0.00 0.00 46.19 46.17 1vha s LEU 19 CO 0.37 -0.74 -0.10 -0.63 0.23 0.00 0.00 176.35 175.48 1vha s ILE 20 N -3.96 2.50 -0.07 -0.59 1.01 -1.26 -0.74 121.20 118.09 1vha s ILE 20 Ca 0.32 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1vha s ILE 20 Cb 0.07 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1vha s ILE 20 CO 0.08 0.18 -0.12 -0.63 0.00 0.00 0.00 174.94 174.45 1vha s ILE 21 N 1.25 1.16 -1.45 2.92 -1.09 0.19 -4.74 121.20 119.43 1vha s ILE 21 Ca -0.02 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 57.83 1vha s ILE 21 Cb -0.17 -1.07 0.03 0.00 -1.58 0.00 0.00 42.46 39.67 1vha s ILE 21 CO -0.06 0.36 0.94 0.61 -1.23 0.00 0.00 174.94 175.56 1vha n GLY 22 N 3.95 -0.53 2.59 6.18 0.00 -1.26 -0.30 105.19 115.83 1vha n GLY 22 Ca -0.22 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1vha n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vha n GLY 23 N -1.75 0.39 3.36 -0.02 0.00 -1.26 -4.97 105.19 100.94 1vha n GLY 23 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1vha n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vha s VAL 24 N -1.56 2.32 -0.09 1.61 1.01 0.59 -5.10 120.40 119.18 1vha s VAL 24 Ca 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1vha s VAL 24 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1vha s VAL 24 CO 0.00 0.48 0.65 -1.61 0.00 0.00 0.00 175.10 174.63 1vha s GLU 25 N -0.93 4.39 0.00 2.72 2.02 -1.26 0.53 118.70 126.18 1vha s GLU 25 Ca 0.11 0.78 -0.00 0.00 0.02 0.00 0.00 54.97 55.88 1vha s GLU 25 Cb -0.10 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.67 1vha s GLU 25 CO 0.01 0.04 -0.00 0.14 0.02 0.00 0.00 175.26 175.47 1vha s VAL 26 N 0.90 0.01 0.18 2.63 -7.23 0.08 -4.97 120.40 112.01 1vha s VAL 26 Ca 0.34 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.10 1vha s VAL 26 Cb -0.17 -0.05 -0.07 0.00 0.56 0.00 0.00 36.38 36.65 1vha s VAL 26 CO 0.16 -0.06 0.96 -2.16 -0.31 0.00 0.00 175.10 173.68 1vha s PRO 27 N -0.19 4.78 -0.14 4.82 0.04 -1.26 -0.76 135.00 142.29 1vha s PRO 27 Ca -0.02 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 1vha s PRO 27 Cb -0.01 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1vha s PRO 27 CO -0.00 0.36 -0.14 -0.47 0.04 0.00 0.00 177.00 176.80 1vha s TYR 28 N -0.61 2.80 -0.14 0.56 6.14 0.11 -4.92 117.35 121.29 1vha s TYR 28 Ca 0.44 -0.73 -0.06 0.00 0.64 0.00 0.00 57.07 57.36 1vha s TYR 28 Cb -0.25 -1.85 -0.04 0.00 0.42 0.00 0.00 41.96 40.24 1vha s TYR 28 CO 0.31 -0.27 0.08 -1.58 0.64 0.00 0.00 175.55 174.74 1vha s HIS 29 N 0.45 3.38 -0.06 4.97 5.65 -1.26 0.03 115.29 128.45 1vha s HIS 29 Ca -0.10 0.30 0.03 0.00 0.25 0.00 0.00 55.06 55.54 1vha s HIS 29 Cb -0.16 -1.97 -0.02 0.00 -1.18 0.00 0.00 32.58 29.24 1vha s HIS 29 CO 0.05 0.45 -0.15 0.99 -0.65 0.00 0.00 174.74 175.43 1vha s THR 30 N -0.42 2.99 0.00 0.89 2.01 0.17 -5.01 115.64 116.27 1vha s THR 30 Ca 0.10 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1vha s THR 30 Cb -0.12 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.21 1vha s THR 30 CO 0.02 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 1vha n GLY 31 N 2.49 -1.86 3.72 4.40 0.00 -1.26 -2.25 105.19 110.42 1vha n GLY 31 Ca -0.17 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1vha n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vha n PHE 32 N 0.00 2.65 -2.56 1.61 -0.00 -1.26 -4.91 117.46 113.00 1vha n PHE 32 Ca 0.00 0.22 -0.43 0.00 -0.00 0.00 0.00 57.45 57.24 1vha n PHE 32 Cb 0.00 -2.59 -0.02 0.00 -0.00 0.00 0.00 39.48 36.87 1vha n PHE 32 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1vha s ILE 33 N 0.45 4.19 0.30 -2.13 1.01 -1.26 -4.60 121.20 119.15 1vha s ILE 33 Ca 0.70 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 1vha s ILE 33 Cb -0.54 -4.51 -0.10 0.00 0.01 0.00 0.00 42.46 37.32 1vha s ILE 33 CO 0.43 -0.90 1.24 0.00 0.00 0.00 0.00 174.94 175.71 1vha s ALA 34 N 4.52 3.47 0.00 9.38 0.00 -1.26 -4.94 121.76 132.93 1vha s ALA 34 Ca 0.50 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1vha s ALA 34 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1vha s ALA 34 CO 0.30 -0.48 0.84 0.72 0.00 0.00 0.00 175.76 177.14 1vha n HIS 35 N 1.09 0.00 -3.71 0.00 8.25 -1.26 -5.05 115.22 114.53 1vha n HIS 35 Ca 0.00 -0.36 -0.07 0.00 -0.26 0.00 0.00 57.72 57.04 1vha n HIS 35 Cb 0.43 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 1vha n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1vha n SER 36 N -0.36 -0.85 -0.03 0.41 3.41 -1.26 -4.63 113.62 110.31 1vha n SER 36 Ca 0.00 -1.95 0.14 0.00 -0.26 0.00 0.00 58.87 56.80 1vha n SER 36 Cb 0.26 1.52 0.82 0.00 -0.26 0.00 0.00 64.21 66.55 1vha n SER 36 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vha n ASP 37 N -1.70 0.09 -0.49 4.04 5.68 -1.26 -4.89 116.55 118.02 1vha n ASP 37 Ca -0.01 -1.14 -0.06 0.00 -0.50 0.00 0.00 54.79 53.08 1vha n ASP 37 Cb 0.31 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 1vha n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vha n GLY 38 N 0.96 0.85 3.56 6.12 0.00 -1.26 -4.94 105.19 110.47 1vha n GLY 38 Ca 0.21 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1vha n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vha s ASP 39 N -2.67 5.69 0.35 1.61 3.68 -1.26 -4.80 116.67 119.27 1vha s ASP 39 Ca 0.00 -0.65 0.08 0.00 2.13 0.00 0.00 52.55 54.11 1vha s ASP 39 Cb 0.00 -2.56 0.65 0.00 -1.45 0.00 0.00 42.92 39.56 1vha s ASP 39 CO 0.00 -2.20 1.83 -0.37 0.13 0.00 0.00 175.17 174.57 1vha h VAL 40 N 6.88 1.23 0.09 1.11 -1.51 -1.92 -1.82 116.25 120.31 1vha h VAL 40 Ca -0.00 -1.05 -0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1vha h VAL 40 Cb 1.04 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1vha h VAL 40 CO 1.28 0.32 -0.04 0.00 -1.23 0.00 0.00 177.57 177.90 1vha h ALA 41 N 1.54 -0.12 -0.10 5.19 0.00 -1.92 -0.78 119.26 123.07 1vha h ALA 41 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1vha h ALA 41 Cb 0.53 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1vha h ALA 41 CO 0.04 -0.46 -0.48 -0.07 0.00 0.00 0.00 179.25 178.27 1vha h LEU 42 N -0.33 0.26 -0.15 0.00 3.38 -1.94 -1.80 115.31 114.72 1vha h LEU 42 Ca -0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1vha h LEU 42 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1vha h LEU 42 CO 0.02 0.70 -0.04 0.45 0.09 0.00 0.00 178.44 179.66 1vha h HIS 43 N 0.19 0.33 -0.44 1.13 3.86 -1.25 0.12 115.15 119.09 1vha h HIS 43 Ca 0.01 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1vha h HIS 43 Cb 0.92 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 1vha h HIS 43 CO 0.02 0.58 0.29 0.00 0.86 0.00 0.00 177.93 179.67 1vha h ALA 44 N 0.71 0.56 -0.53 2.45 0.00 -1.10 -0.59 119.26 120.76 1vha h ALA 44 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1vha h ALA 44 Cb 0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1vha h ALA 44 CO 0.02 -0.01 0.32 1.25 0.00 0.00 0.00 179.25 180.83 1vha h LEU 45 N 0.58 0.52 -0.56 0.00 5.85 -1.25 -1.25 115.31 119.20 1vha h LEU 45 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1vha h LEU 45 Cb -0.05 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1vha h LEU 45 CO -0.05 0.37 0.37 0.74 -0.34 0.00 0.00 178.44 179.53 1vha h THR 46 N 0.64 1.15 -0.53 1.05 2.02 -0.17 -1.32 112.91 115.75 1vha h THR 46 Ca 0.21 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1vha h THR 46 Cb 0.01 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1vha h THR 46 CO -0.09 0.14 0.14 0.44 0.37 0.00 0.00 175.52 176.52 1vha h ASP 47 N 0.76 0.74 -0.31 4.18 3.32 -0.61 -2.10 116.42 122.41 1vha h ASP 47 Ca 0.20 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1vha h ASP 47 Cb -0.08 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1vha h ASP 47 CO -0.04 0.73 -0.44 0.00 -1.72 0.00 0.00 179.24 177.77 1vha h ALA 48 N 1.37 0.47 -0.37 3.45 0.00 -0.75 0.25 119.26 123.68 1vha h ALA 48 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1vha h ALA 48 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1vha h ALA 48 CO -0.00 0.60 0.07 0.82 0.00 0.00 0.00 179.25 180.74 1vha h ILE 49 N 0.62 1.23 -0.19 0.00 2.04 -1.14 -1.57 117.51 118.51 1vha h ILE 49 Ca 0.03 -0.82 -0.15 0.00 1.00 0.00 0.00 64.86 64.92 1vha h ILE 49 Cb 1.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1vha h ILE 49 CO 0.10 0.28 -0.52 -0.07 0.00 0.00 0.00 178.15 177.93 1vha h LEU 50 N 0.45 0.59 -1.27 1.44 3.38 -1.38 -3.11 115.31 115.42 1vha h LEU 50 Ca 0.11 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1vha h LEU 50 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1vha h LEU 50 CO 0.00 1.01 -0.10 1.23 0.09 0.00 0.00 178.44 180.67 1vha h GLY 51 N 1.08 0.40 1.66 0.83 0.00 -0.34 0.12 103.07 106.82 1vha h GLY 51 Ca 0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1vha h GLY 51 CO 0.10 0.24 -0.40 0.00 0.00 0.00 0.00 176.54 176.48 1vha h ALA 52 N 1.55 1.01 -0.22 3.60 0.00 -1.22 -2.81 119.26 121.17 1vha h ALA 52 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vha h ALA 52 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vha h ALA 52 CO 0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1vha n ALA 53 N -2.49 2.50 -3.54 0.00 0.00 -1.04 -4.58 120.51 111.36 1vha n ALA 53 Ca -0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1vha n ALA 53 Cb 0.49 -1.05 0.08 0.00 0.00 0.00 0.00 19.45 18.96 1vha n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vha n ALA 54 N 0.48 -1.25 -0.52 0.00 0.00 -0.92 -4.90 120.51 113.39 1vha n ALA 54 Ca 0.16 0.39 0.09 0.00 0.00 0.00 0.00 53.44 54.08 1vha n ALA 54 Cb 0.36 -5.31 0.35 0.00 0.00 0.00 0.00 19.45 14.85 1vha n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vha n LEU 55 N -4.81 4.61 0.00 0.00 4.77 0.37 -5.03 117.00 116.90 1vha n LEU 55 Ca 0.01 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1vha n LEU 55 Cb 0.56 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1vha n LEU 55 CO 0.62 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 1vha n GLY 56 N 1.18 1.39 3.78 -0.72 0.00 -1.25 -4.92 105.19 104.65 1vha n GLY 56 Ca 0.25 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1vha n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vha s ASP 57 N -4.00 0.04 0.61 1.61 1.47 -1.26 -4.27 116.67 110.86 1vha s ASP 57 Ca 0.00 -1.06 0.32 0.00 1.18 0.00 0.00 52.55 52.99 1vha s ASP 57 Cb 0.00 0.80 1.85 0.00 -0.34 0.00 0.00 42.92 45.22 1vha s ASP 57 CO 0.00 -1.56 2.18 -0.29 0.68 0.00 0.00 175.17 176.18 1vha h ILE 58 N 2.02 0.37 -0.23 2.11 2.10 -1.90 -2.94 117.51 119.04 1vha h ILE 58 Ca -0.29 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.50 1vha h ILE 58 Cb 1.25 0.90 -0.07 0.00 -1.09 0.00 0.00 36.82 37.81 1vha h ILE 58 CO 0.37 0.00 0.20 0.61 -1.08 0.00 0.00 178.15 178.25 1vha n GLY 59 N -1.31 3.23 0.00 8.18 0.00 -1.26 -2.90 105.19 111.14 1vha n GLY 59 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1vha n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vha n LYS 60 N 0.89 0.00 0.05 1.61 5.02 -1.11 -4.96 118.16 119.67 1vha n LYS 60 Ca 0.14 -0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.24 1vha n LYS 60 Cb 0.55 -0.39 -0.01 0.00 -0.02 0.00 0.00 35.03 35.16 1vha n LYS 60 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vha h LEU 61 N 0.00 -0.14 -7.57 -0.35 3.38 -1.73 -3.43 115.31 105.47 1vha h LEU 61 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.29 1vha h LEU 61 Cb 0.71 0.04 -0.36 0.00 0.09 0.00 0.00 40.66 41.14 1vha h LEU 61 CO 0.00 0.04 -0.44 -0.36 0.09 0.00 0.00 178.44 177.78 1vha s PHE 62 N -2.09 3.41 -0.12 1.13 0.08 -1.26 -5.14 117.98 113.98 1vha s PHE 62 Ca -0.02 -2.76 -0.03 0.00 0.12 0.00 0.00 56.93 54.24 1vha s PHE 62 Cb 0.00 -3.14 -0.06 0.00 -0.57 0.00 0.00 43.02 39.26 1vha s PHE 62 CO 0.07 -0.85 2.73 -0.35 -0.10 0.00 0.00 175.22 176.72 1vha n PRO 63 N 3.59 1.72 0.00 0.24 -0.04 -1.26 -5.04 135.00 134.20 1vha n PRO 63 Ca 0.06 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1vha n PRO 63 Cb 0.37 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1vha n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vha n LYS 70 N 1.58 0.00 0.09 0.54 5.02 -1.26 -5.24 118.16 118.89 1vha n LYS 70 Ca 0.28 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.67 1vha n LYS 70 Cb 0.68 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 36.10 1vha n LYS 70 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vha n ASN 71 N 1.31 0.41 0.03 4.39 3.02 -1.26 -2.11 115.26 121.05 1vha n ASN 71 Ca 0.00 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.26 1vha n ASN 71 Cb 0.00 -0.70 0.41 0.00 -0.61 0.00 0.00 39.78 38.89 1vha n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vha n ALA 72 N -1.67 1.83 -3.87 5.41 0.00 -1.26 -4.28 120.51 116.67 1vha n ALA 72 Ca 0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1vha n ALA 72 Cb 0.17 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.14 1vha n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vha s ASP 73 N -3.35 3.14 0.46 0.00 3.68 -0.90 -4.02 116.67 115.69 1vha s ASP 73 Ca 0.08 -0.84 0.22 0.00 2.13 0.00 0.00 52.55 54.13 1vha s ASP 73 Cb 0.11 -0.93 1.15 0.00 -1.45 0.00 0.00 42.92 41.80 1vha s ASP 73 CO 0.36 -0.22 1.97 0.28 0.13 0.00 0.00 175.17 177.69 1vha h SER 74 N 8.10 0.00 0.26 -0.34 0.02 -1.83 -2.57 113.55 117.19 1vha h SER 74 Ca -0.21 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 1vha h SER 74 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1vha h SER 74 CO 0.39 0.20 -0.59 0.03 -1.14 0.00 0.00 176.83 175.73 1vha h ARG 75 N 0.00 0.33 0.25 3.45 3.08 -1.95 0.19 114.38 119.74 1vha h ARG 75 Ca -0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1vha h ARG 75 Cb 0.47 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1vha h ARG 75 CO 0.03 0.82 -0.13 0.78 -1.07 0.00 0.00 179.97 180.40 1vha h GLY 76 N 1.34 -0.36 1.22 0.04 0.00 -1.78 0.22 103.07 103.75 1vha h GLY 76 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1vha h GLY 76 CO 0.10 -0.13 0.52 1.41 0.00 0.00 0.00 176.54 178.43 1vha h LEU 77 N -0.35 0.89 -0.31 3.11 3.38 -1.34 -0.95 115.31 119.75 1vha h LEU 77 Ca -0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1vha h LEU 77 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1vha h LEU 77 CO 0.05 0.64 -0.16 0.25 0.09 0.00 0.00 178.44 179.31 1vha h LEU 78 N 1.05 0.69 -1.10 1.67 5.85 -0.09 -0.86 115.31 122.51 1vha h LEU 78 Ca 0.29 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1vha h LEU 78 Cb -0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1vha h LEU 78 CO -0.07 0.95 -0.17 0.03 -0.34 0.00 0.00 178.44 178.84 1vha h ARG 79 N 0.42 0.43 -0.17 1.25 3.08 -0.21 -0.83 114.38 118.35 1vha h ARG 79 Ca 0.07 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1vha h ARG 79 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1vha h ARG 79 CO 0.05 0.59 0.02 1.49 -1.07 0.00 0.00 179.97 181.05 1vha h GLU 80 N 0.40 0.29 -0.59 0.04 4.57 -1.04 -0.83 114.58 117.42 1vha h GLU 80 Ca 0.07 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1vha h GLU 80 Cb 0.53 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1vha h GLU 80 CO 0.03 0.46 0.29 0.00 -1.18 0.00 0.00 179.01 178.62 1vha h ALA 81 N 0.81 0.77 -0.42 2.92 0.00 -0.70 -0.95 119.26 121.69 1vha h ALA 81 Ca 0.05 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1vha h ALA 81 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1vha h ALA 81 CO 0.00 -0.06 -0.03 0.35 0.00 0.00 0.00 179.25 179.51 1vha h PHE 82 N 0.55 0.74 -0.09 0.00 3.04 -0.99 -1.99 116.94 118.20 1vha h PHE 82 Ca 0.27 -0.10 0.02 0.00 3.98 0.00 0.00 57.97 62.14 1vha h PHE 82 Cb 0.21 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1vha h PHE 82 CO -0.11 0.71 -0.04 -0.09 -2.02 0.00 0.00 178.31 176.77 1vha h ARG 83 N 0.65 -0.03 -0.33 1.11 2.43 0.14 0.15 114.38 118.49 1vha h ARG 83 Ca 0.13 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1vha h ARG 83 Cb 0.45 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1vha h ARG 83 CO 0.02 -0.02 -0.12 1.96 -1.51 0.00 0.00 179.97 180.30 1vha h GLN 84 N -0.03 0.58 -0.21 0.20 4.20 -1.09 0.02 115.11 118.78 1vha h GLN 84 Ca 0.05 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 1vha h GLN 84 Cb 0.10 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1vha h GLN 84 CO -0.11 0.69 -0.56 -0.24 -0.67 0.00 0.00 178.83 177.94 1vha h VAL 85 N 0.53 1.31 -0.28 -0.54 3.04 -1.10 -2.62 116.25 116.58 1vha h VAL 85 Ca 0.10 -1.79 -0.03 0.00 -1.01 0.00 0.00 66.70 63.97 1vha h VAL 85 Cb 0.52 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 1vha h VAL 85 CO 0.03 0.56 0.06 -0.61 -1.01 0.00 0.00 177.57 176.61 1vha h GLN 86 N 0.50 0.41 0.00 4.17 5.75 -0.22 -1.39 115.11 124.32 1vha h GLN 86 Ca 0.01 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1vha h GLN 86 Cb 1.13 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 1vha h GLN 86 CO 0.11 0.39 -0.25 0.93 -2.65 0.00 0.00 178.83 177.36 1vha h GLU 87 N 0.41 0.00 -0.30 1.69 5.08 -0.62 -1.18 114.58 119.66 1vha h GLU 87 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1vha h GLU 87 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1vha h GLU 87 CO -0.00 0.25 0.00 1.63 -1.00 0.00 0.00 179.01 179.89 1vha n LYS 88 N -3.76 1.79 -2.52 2.33 5.02 -0.57 -4.91 118.16 115.54 1vha n LYS 88 Ca -0.01 -1.22 -0.02 0.00 -2.02 0.00 0.00 58.31 55.04 1vha n LYS 88 Cb 0.35 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1vha n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vha n GLY 89 N 1.08 0.78 3.43 0.72 0.00 -0.44 -5.00 105.19 105.75 1vha n GLY 89 Ca 0.13 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1vha n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vha s TYR 90 N -3.03 2.32 0.14 1.61 1.51 -0.94 -1.30 117.35 117.68 1vha s TYR 90 Ca 0.04 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1vha s TYR 90 Cb -0.02 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1vha s TYR 90 CO 0.06 0.48 0.02 -1.59 -1.11 0.00 0.00 175.55 173.41 1vha s LYS 91 N -2.61 0.98 0.11 -0.62 -2.85 0.05 -3.94 119.74 110.87 1vha s LYS 91 Ca 0.20 -1.46 -0.30 0.00 -1.00 0.00 0.00 55.97 53.41 1vha s LYS 91 Cb -0.08 -0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.62 1vha s LYS 91 CO 0.10 -0.18 1.16 0.42 0.10 0.00 0.00 175.35 176.94 1vha s ILE 92 N -3.85 3.95 -0.03 3.79 1.09 -1.26 -1.22 121.20 123.66 1vha s ILE 92 Ca 0.22 1.51 -0.02 0.00 -1.10 0.00 0.00 60.65 61.27 1vha s ILE 92 Cb 0.07 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1vha s ILE 92 CO 0.02 0.18 -0.03 1.23 -0.10 0.00 0.00 174.94 176.23 1vha h GLY 93 N 6.03 0.00 -3.71 6.18 0.00 -0.67 -3.44 103.07 107.46 1vha h GLY 93 Ca -0.43 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1vha h GLY 93 CO 0.77 0.00 0.40 0.54 0.00 0.00 0.00 176.54 178.25 1vha s ASN 94 N -3.97 -0.46 0.04 0.19 4.22 -1.09 -4.84 114.94 109.03 1vha s ASN 94 Ca -0.03 0.25 0.05 0.00 -2.14 0.00 0.00 52.86 50.99 1vha s ASN 94 Cb 0.00 0.43 -0.02 0.00 1.28 0.00 0.00 41.25 42.94 1vha s ASN 94 CO 0.04 -0.61 -0.14 0.68 -2.04 0.00 0.00 177.10 175.04 1vha s VAL 95 N -2.31 1.07 -0.07 3.54 -7.23 -0.21 -1.31 120.40 113.87 1vha s VAL 95 Ca -0.01 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1vha s VAL 95 Cb -0.01 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.98 1vha s VAL 95 CO -0.03 -0.02 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.06 1vha s ASP 96 N -1.17 1.61 -0.09 4.85 3.68 -0.92 -0.92 116.67 123.73 1vha s ASP 96 Ca 0.01 -0.20 0.04 0.00 2.13 0.00 0.00 52.55 54.52 1vha s ASP 96 Cb -0.08 -0.64 -0.01 0.00 -1.45 0.00 0.00 42.92 40.74 1vha s ASP 96 CO 0.01 -0.09 -0.20 -0.63 0.13 0.00 0.00 175.17 174.39 1vha s ILE 97 N 1.33 2.44 -0.29 4.11 1.09 0.40 -2.02 121.20 128.25 1vha s ILE 97 Ca -0.04 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 1vha s ILE 97 Cb -0.14 -1.95 0.08 0.00 -1.06 0.00 0.00 42.46 39.40 1vha s ILE 97 CO -0.03 0.56 -0.03 -0.89 -0.10 0.00 0.00 174.94 174.45 1vha s THR 98 N 0.04 2.10 -0.06 2.92 2.01 0.33 -0.37 115.64 122.60 1vha s THR 98 Ca -0.08 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 59.78 1vha s THR 98 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1vha s THR 98 CO 0.05 -0.31 0.77 -0.63 -0.69 0.00 0.00 174.62 173.82 1vha s ILE 99 N 1.07 4.99 -0.37 1.82 1.01 -0.27 -0.25 121.20 129.20 1vha s ILE 99 Ca 0.01 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.22 1vha s ILE 99 Cb -0.19 -4.11 0.08 0.00 0.01 0.00 0.00 42.46 38.24 1vha s ILE 99 CO -0.07 0.21 0.13 -0.63 0.00 0.00 0.00 174.94 174.58 1vha s ILE 100 N 0.97 3.36 -0.07 2.92 1.01 0.92 -1.05 121.20 129.26 1vha s ILE 100 Ca 0.41 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.26 1vha s ILE 100 Cb -0.18 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1vha s ILE 100 CO 0.20 -0.42 0.35 0.00 0.00 0.00 0.00 174.94 175.06 1vha s ALA 101 N 1.24 -0.88 -1.39 9.38 0.00 -0.83 -1.14 121.76 128.14 1vha s ALA 101 Ca 0.02 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 1vha s ALA 101 Cb -0.21 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 22.74 1vha s ALA 101 CO -0.02 -0.22 2.26 0.94 0.00 0.00 0.00 175.76 178.72 1vha n GLN 102 N 2.03 3.68 -4.07 0.00 -0.06 -1.25 -4.23 117.38 113.47 1vha n GLN 102 Ca -0.17 -3.07 -0.08 0.00 -2.00 0.00 0.00 57.00 51.67 1vha n GLN 102 Cb 0.57 -2.92 -0.10 0.00 -4.06 0.00 0.00 30.24 23.72 1vha n GLN 102 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vha s ALA 103 N 0.99 0.49 0.00 1.69 0.00 -1.26 -4.99 121.76 118.68 1vha s ALA 103 Ca 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1vha s ALA 103 Cb 0.14 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1vha s ALA 103 CO -0.05 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.09 1vha n PRO 104 N 0.55 0.00 -1.52 0.00 -0.04 -1.26 -4.92 135.00 127.81 1vha n PRO 104 Ca -0.17 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.84 1vha n PRO 104 Cb 0.59 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.00 1vha n PRO 104 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vha n LYS 105 N -0.91 1.32 0.00 0.54 -0.00 -1.26 -5.01 118.16 112.84 1vha n LYS 105 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1vha n LYS 105 Cb 0.00 -2.83 0.00 0.00 -0.00 0.00 0.00 35.03 32.20 1vha n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vha n ARG 107 N 8.54 0.00 0.29 -1.58 3.00 -1.26 -4.92 116.66 120.73 1vha n ARG 107 Ca 0.38 0.00 0.17 0.00 -0.01 0.00 0.00 57.85 58.39 1vha n ARG 107 Cb 0.34 -0.24 0.89 0.00 0.00 0.00 0.00 32.46 33.45 1vha n ARG 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1vha h PRO 108 N 0.00 0.00 -0.00 5.56 0.11 -2.05 -1.01 132.00 134.60 1vha h PRO 108 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vha h PRO 108 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vha h PRO 108 CO 0.00 0.00 -0.56 0.72 -0.21 0.00 0.00 178.00 177.95 1vha n HIS 109 N -2.76 0.00 -0.16 0.65 8.25 -1.26 -4.63 115.22 115.31 1vha n HIS 109 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1vha n HIS 109 Cb 0.19 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.31 1vha n HIS 109 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vha h ILE 110 N 0.68 1.16 -0.62 1.59 2.04 -1.59 -2.84 117.51 117.93 1vha h ILE 110 Ca 0.00 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1vha h ILE 110 Cb 0.42 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1vha h ILE 110 CO 0.00 0.17 0.18 0.44 0.00 0.00 0.00 178.15 178.93 1vha h ASP 111 N 0.64 0.89 0.00 1.72 3.45 -1.82 -1.07 116.42 120.22 1vha h ASP 111 Ca 0.17 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1vha h ASP 111 Cb 0.02 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1vha h ASP 111 CO -0.03 0.84 0.00 0.00 -1.57 0.00 0.00 179.24 178.48 1vha n ALA 112 N -2.46 1.42 0.00 3.45 0.00 -1.07 -1.40 120.51 120.45 1vha n ALA 112 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vha n ALA 112 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1vha n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vha n ARG 114 N 0.79 0.00 -0.13 0.00 1.74 -0.41 -2.22 116.66 116.44 1vha n ARG 114 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1vha n ARG 114 Cb 0.03 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.46 1vha n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vha h ALA 115 N 0.00 0.49 -0.67 7.54 0.00 -1.51 0.37 119.26 125.48 1vha h ALA 115 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1vha h ALA 115 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1vha h ALA 115 CO 0.00 0.03 0.18 0.87 0.00 0.00 0.00 179.25 180.33 1vha h LYS 116 N 0.49 1.05 -0.29 0.00 1.57 -1.72 -0.11 116.57 117.56 1vha h LYS 116 Ca 0.13 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1vha h LYS 116 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1vha h LYS 116 CO -0.02 0.92 -0.23 0.82 -0.57 0.00 0.00 179.45 180.37 1vha h ILE 117 N 1.01 1.30 0.00 1.86 2.04 -1.78 -1.91 117.51 120.03 1vha h ILE 117 Ca 0.22 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1vha h ILE 117 Cb 0.33 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1vha h ILE 117 CO -0.00 0.44 -0.04 0.00 0.00 0.00 0.00 178.15 178.55 1vha h ALA 118 N 0.72 1.70 0.00 1.87 0.00 0.13 -1.07 119.26 122.60 1vha h ALA 118 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1vha h ALA 118 Cb 0.78 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1vha h ALA 118 CO 0.06 0.05 -0.33 1.49 0.00 0.00 0.00 179.25 180.52 1vha h GLU 119 N 0.00 0.22 0.00 0.00 4.81 -0.64 -2.13 114.58 116.83 1vha h GLU 119 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1vha h GLU 119 Cb 0.08 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1vha h GLU 119 CO 0.00 0.97 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.73 1vha h ASP 120 N -0.42 0.00 -0.46 1.04 3.32 -0.93 -2.71 116.42 116.26 1vha h ASP 120 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1vha h ASP 120 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1vha h ASP 120 CO 0.07 0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 1vha n LEU 121 N -3.20 3.45 -4.03 1.55 4.77 -0.44 -4.64 117.00 114.46 1vha n LEU 121 Ca 0.01 -1.55 -0.33 0.00 -0.03 0.00 0.00 56.01 54.10 1vha n LEU 121 Cb 0.37 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1vha n LEU 121 CO 0.30 0.78 -0.25 0.00 -1.33 0.00 0.00 177.39 176.89 1vha n GLN 122 N 1.45 -1.53 -3.50 3.23 6.02 -1.02 -4.71 117.38 117.33 1vha n GLN 122 Ca 0.20 0.25 -0.13 0.00 -0.01 0.00 0.00 57.00 57.31 1vha n GLN 122 Cb 0.59 -3.70 -0.05 0.00 1.02 0.00 0.00 30.24 28.10 1vha n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vha s ASP 124 N -2.60 6.65 0.59 0.00 3.68 -1.26 -4.61 116.67 119.12 1vha s ASP 124 Ca 0.26 1.04 0.34 0.00 2.13 0.00 0.00 52.55 56.32 1vha s ASP 124 Cb 0.01 -2.27 1.88 0.00 -1.45 0.00 0.00 42.92 41.09 1vha s ASP 124 CO 0.19 -0.15 2.23 -0.29 0.13 0.00 0.00 175.17 177.27 1vha h ILE 125 N 1.86 0.34 0.00 4.11 2.10 -1.89 -1.08 117.51 122.95 1vha h ILE 125 Ca -0.47 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1vha h ILE 125 Cb 1.17 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 1vha h ILE 125 CO 0.67 0.03 0.00 -0.08 -1.08 0.00 0.00 178.15 177.69 1vha h GLU 126 N 0.00 0.00 -0.34 2.19 4.22 -1.96 -1.13 114.58 117.56 1vha h GLU 126 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1vha h GLU 126 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1vha h GLU 126 CO 0.00 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.87 1vha n GLN 127 N -2.81 2.25 -4.15 1.92 6.02 -0.41 -4.87 117.38 115.34 1vha n GLN 127 Ca -0.00 -1.89 -0.30 0.00 -0.01 0.00 0.00 57.00 54.80 1vha n GLN 127 Cb 0.20 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.82 1vha n GLN 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vha s VAL 128 N -1.57 1.66 -0.03 5.09 1.01 -0.43 -1.04 120.40 125.09 1vha s VAL 128 Ca 0.36 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1vha s VAL 128 Cb 0.21 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1vha s VAL 128 CO 0.29 0.47 -0.25 0.21 0.00 0.00 0.00 175.10 175.83 1vha s ASN 129 N 1.34 2.96 -0.06 3.32 2.47 -0.09 -4.97 114.94 119.90 1vha s ASN 129 Ca 0.02 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.84 1vha s ASN 129 Cb -0.13 -0.52 0.02 0.00 -1.45 0.00 0.00 41.25 39.17 1vha s ASN 129 CO -0.09 0.28 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.83 1vha s VAL 130 N -0.42 0.65 0.17 -5.21 1.01 -1.26 -0.45 120.40 114.89 1vha s VAL 130 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1vha s VAL 130 Cb -0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1vha s VAL 130 CO 0.01 0.26 -0.05 -1.59 0.00 0.00 0.00 175.10 173.73 1vha s LYS 131 N 1.08 1.13 -0.00 2.72 -2.85 0.50 -4.96 119.74 117.35 1vha s LYS 131 Ca -0.08 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 53.38 1vha s LYS 131 Cb -0.14 -0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 35.11 1vha s LYS 131 CO -0.01 -0.02 -0.05 0.00 0.10 0.00 0.00 175.35 175.37 1vha s ALA 132 N -3.44 0.41 0.16 0.59 0.00 -1.26 -1.11 121.76 117.10 1vha s ALA 132 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1vha s ALA 132 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1vha s ALA 132 CO 0.03 0.10 0.21 -0.08 0.00 0.00 0.00 175.76 176.02 1vha s THR 133 N -0.11 0.07 0.42 0.00 -1.32 -0.21 -4.95 115.64 109.55 1vha s THR 133 Ca 0.02 -1.59 0.07 0.00 -1.21 0.00 0.00 61.69 58.98 1vha s THR 133 Cb -0.02 -1.96 -0.06 0.00 -1.51 0.00 0.00 72.50 68.95 1vha s THR 133 CO -0.00 -0.32 0.12 0.42 -2.21 0.00 0.00 174.62 172.63 1vha s THR 134 N -4.01 2.12 -0.23 5.08 -4.23 -1.26 -1.97 115.64 111.15 1vha s THR 134 Ca 0.21 -1.81 0.14 0.00 -1.18 0.00 0.00 61.69 59.05 1vha s THR 134 Cb 0.05 -2.93 0.68 0.00 1.34 0.00 0.00 72.50 71.63 1vha s THR 134 CO 0.02 0.00 1.62 0.35 -0.54 0.00 0.00 174.62 176.06 1vha n THR 135 N -1.17 2.60 -3.78 3.99 -2.24 -1.26 -4.96 114.28 107.47 1vha n THR 135 Ca -0.03 -1.72 -0.25 0.00 -2.27 0.00 0.00 64.05 59.78 1vha n THR 135 Cb 0.65 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1vha n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vha n GLU 136 N -0.08 -3.53 -0.98 -0.78 1.02 -1.26 -1.84 120.64 113.19 1vha n GLU 136 Ca 0.28 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1vha n GLU 136 Cb 1.11 -4.75 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 1vha n GLU 136 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vha n LYS 137 N -4.28 -1.01 -4.01 3.49 4.76 -1.26 -5.00 118.16 110.86 1vha n LYS 137 Ca -0.26 0.25 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 1vha n LYS 137 Cb 0.66 -4.04 -0.04 0.00 -1.84 0.00 0.00 35.03 29.77 1vha n LYS 137 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1vha s LEU 138 N 0.00 4.10 0.00 -0.35 1.43 -0.76 -4.15 118.68 118.94 1vha s LEU 138 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1vha s LEU 138 Cb 0.00 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1vha s LEU 138 CO 0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1vha n GLY 139 N -0.48 -1.89 0.20 -3.19 0.00 -1.26 -1.47 105.19 97.10 1vha n GLY 139 Ca -0.08 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.64 1vha n GLY 139 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1vha h PHE 140 N -0.26 0.09 -0.00 1.61 -5.15 -1.96 0.42 116.94 111.68 1vha h PHE 140 Ca 0.01 -0.02 -0.24 0.00 -0.20 0.00 0.00 57.97 57.52 1vha h PHE 140 Cb 0.26 -0.02 0.01 0.00 0.22 0.00 0.00 35.95 36.42 1vha h PHE 140 CO 0.00 0.39 -0.98 1.79 -2.00 0.00 0.00 178.31 177.50 1vha h THR 141 N 0.07 1.34 -0.02 0.88 1.35 -1.77 -0.26 112.91 114.50 1vha h THR 141 Ca 0.01 -2.34 -0.06 0.00 -0.55 0.00 0.00 66.41 63.47 1vha h THR 141 Cb 0.59 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1vha h THR 141 CO 0.04 0.71 -0.28 1.23 -0.25 0.00 0.00 175.52 176.97 1vha h GLY 142 N 0.84 0.03 0.27 5.82 0.00 -0.73 -0.76 103.07 108.55 1vha h GLY 142 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1vha h GLY 142 CO 0.18 0.02 -0.05 0.54 0.00 0.00 0.00 176.54 177.24 1vha n ARG 143 N -4.19 1.21 -3.24 4.80 1.74 0.09 -4.47 116.66 112.60 1vha n ARG 143 Ca -0.02 -0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 56.38 1vha n ARG 143 Cb 0.34 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1vha n ARG 143 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vha n GLN 144 N -0.45 -5.66 0.01 5.56 6.02 -0.29 -4.92 117.38 117.66 1vha n GLN 144 Ca 0.19 0.63 0.11 0.00 -0.01 0.00 0.00 57.00 57.92 1vha n GLN 144 Cb 0.27 -5.06 -0.02 0.00 1.02 0.00 0.00 30.24 26.46 1vha n GLN 144 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1vha n GLU 145 N -3.71 0.18 -3.15 -1.09 1.02 -0.14 -4.98 120.64 108.77 1vha n GLU 145 Ca -0.08 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1vha n GLU 145 Cb 0.58 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1vha n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vha n GLY 146 N 1.42 -1.18 3.13 0.62 0.00 -1.24 -2.10 105.19 105.84 1vha n GLY 146 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1vha n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vha s ILE 147 N -3.00 0.51 0.27 -0.61 -4.36 -0.78 -4.39 121.20 108.84 1vha s ILE 147 Ca 0.00 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1vha s ILE 147 Cb 0.00 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 1vha s ILE 147 CO 0.00 -0.89 0.13 0.00 0.24 0.00 0.00 174.94 174.41 1vha s ALA 148 N -3.61 1.72 -0.21 2.27 0.00 -0.29 -1.10 121.76 120.55 1vha s ALA 148 Ca 0.09 -1.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.06 1vha s ALA 148 Cb 0.05 1.14 0.05 0.00 0.00 0.00 0.00 23.12 24.37 1vha s ALA 148 CO -0.06 -0.50 0.55 0.00 0.00 0.00 0.00 175.76 175.75 1vha s GLU 150 N 0.33 2.38 -0.07 0.00 2.56 0.65 -1.61 118.70 122.94 1vha s GLU 150 Ca -0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 54.97 54.05 1vha s GLU 150 Cb -0.04 -2.36 0.02 0.00 2.00 0.00 0.00 34.13 33.76 1vha s GLU 150 CO 0.00 0.59 0.29 0.00 -0.56 0.00 0.00 175.26 175.58 1vha s ALA 151 N -0.90 -0.71 0.06 6.30 0.00 0.63 -0.52 121.76 126.62 1vha s ALA 151 Ca 0.15 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1vha s ALA 151 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1vha s ALA 151 CO 0.05 -0.18 -0.13 0.14 0.00 0.00 0.00 175.76 175.64 1vha s VAL 152 N -0.40 0.99 0.01 0.00 -7.23 -0.86 0.18 120.40 113.10 1vha s VAL 152 Ca -0.05 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1vha s VAL 152 Cb -0.03 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.95 1vha s VAL 152 CO 0.02 -0.18 -0.03 0.00 -0.31 0.00 0.00 175.10 174.60 1vha s ALA 153 N -1.14 0.16 -0.22 1.32 0.00 0.31 -2.16 121.76 120.02 1vha s ALA 153 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1vha s ALA 153 Cb -0.09 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1vha s ALA 153 CO 0.02 -0.05 -0.14 -1.17 0.00 0.00 0.00 175.76 174.42 1vha s LEU 154 N -0.74 2.84 -0.10 0.00 2.96 -0.43 -0.63 118.68 122.58 1vha s LEU 154 Ca -0.07 -0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 52.81 1vha s LEU 154 Cb -0.05 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1vha s LEU 154 CO -0.00 -0.10 0.09 -0.76 -1.32 0.00 0.00 176.35 174.26 1vha s LEU 155 N 1.22 4.07 0.05 -0.68 1.43 0.18 0.08 118.68 125.03 1vha s LEU 155 Ca -0.01 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1vha s LEU 155 Cb -0.16 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1vha s LEU 155 CO -0.08 0.39 -0.23 -0.63 0.23 0.00 0.00 176.35 176.03 1vha s ILE 156 N -0.99 1.84 0.11 -0.59 1.01 -0.36 -0.34 121.20 121.88 1vha s ILE 156 Ca 0.15 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.20 1vha s ILE 156 Cb -0.12 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 1vha s ILE 156 CO 0.04 0.24 1.77 -0.60 0.00 0.00 0.00 174.94 176.39 1vha s ARG 157 N -1.25 4.16 0.00 2.79 6.06 -0.97 -0.77 118.95 128.96 1vha s ARG 157 Ca 0.09 2.51 0.27 0.00 -2.50 0.00 0.00 55.73 56.10 1vha s ARG 157 Cb -0.09 -3.56 0.79 0.00 0.06 0.00 0.00 34.95 32.15 1vha s ARG 157 CO 0.02 -0.80 1.60 0.94 -2.50 0.00 0.00 175.30 174.56