#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 0.00 -3.72 -3.43 4.77 -1.26 -4.67 117.00 108.69 1vha n LEU 1 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1vha n LEU 1 Cb 0.00 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1vha n LEU 1 CO 0.00 0.07 0.00 -0.51 -1.33 0.00 0.00 177.39 175.62 1vha s ILE 2 N -3.15 -0.02 0.02 -0.08 2.07 -1.26 -2.80 121.20 115.97 1vha s ILE 2 Ca -0.07 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 1vha s ILE 2 Cb 0.11 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 1vha s ILE 2 CO 0.76 0.03 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.60 1vha s ARG 3 N 0.93 0.69 -0.04 3.50 1.81 -0.36 -4.96 118.95 120.51 1vha s ARG 3 Ca -0.06 -0.51 0.03 0.00 -1.72 0.00 0.00 55.73 53.47 1vha s ARG 3 Cb -0.07 -0.63 -0.03 0.00 -0.45 0.00 0.00 34.95 33.78 1vha s ARG 3 CO -0.07 0.16 -0.11 -1.50 -0.68 0.00 0.00 175.30 173.10 1vha s ILE 4 N -0.62 3.33 0.08 1.52 2.07 -1.26 0.72 121.20 127.03 1vha s ILE 4 Ca -0.00 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.56 1vha s ILE 4 Cb -0.06 -2.35 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 1vha s ILE 4 CO 0.00 0.54 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.68 1vha s GLY 5 N -0.92 0.67 0.01 1.50 0.00 0.19 -3.92 107.32 104.86 1vha s GLY 5 Ca 0.13 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1vha s GLY 5 CO 0.02 -1.28 -0.06 -1.58 0.00 0.00 0.00 173.10 170.20 1vha s HIS 6 N -3.06 0.54 0.02 1.90 5.04 -1.25 -1.20 115.29 117.29 1vha s HIS 6 Ca 0.06 -0.20 0.01 0.00 -1.54 0.00 0.00 55.06 53.38 1vha s HIS 6 Cb 0.01 -0.34 -0.02 0.00 0.04 0.00 0.00 32.58 32.28 1vha s HIS 6 CO -0.04 -0.03 -0.04 0.20 -2.34 0.00 0.00 174.74 172.50 1vha s GLY 7 N -0.52 0.26 -0.06 1.59 0.00 0.85 -3.75 107.32 105.70 1vha s GLY 7 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 1vha s GLY 7 CO -0.00 -0.54 0.16 -0.12 0.00 0.00 0.00 173.10 172.60 1vha s PHE 8 N -1.09 -0.18 0.03 1.90 5.36 -1.26 -0.43 117.98 122.31 1vha s PHE 8 Ca -0.11 0.46 -0.15 0.00 -0.96 0.00 0.00 56.93 56.17 1vha s PHE 8 Cb -0.08 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1vha s PHE 8 CO -0.00 -0.11 0.33 -0.51 -1.46 0.00 0.00 175.22 173.46 1vha s ASP 9 N 0.35 -0.17 0.02 6.13 1.01 -0.48 -4.75 116.67 118.78 1vha s ASP 9 Ca -0.02 -0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.19 1vha s ASP 9 Cb -0.03 0.36 -0.01 0.00 1.01 0.00 0.00 42.92 44.24 1vha s ASP 9 CO -0.01 -0.57 -0.09 -0.69 0.21 0.00 0.00 175.17 174.02 1vha s VAL 10 N -2.17 0.66 -0.18 -1.27 1.01 -1.26 -0.90 120.40 116.29 1vha s VAL 10 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1vha s VAL 10 Cb -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.78 1vha s VAL 10 CO -0.01 -0.06 -0.08 -2.28 0.00 0.00 0.00 175.10 172.68 1vha s HIS 11 N -0.71 2.05 0.19 5.22 2.46 -0.12 -4.99 115.29 119.40 1vha s HIS 11 Ca -0.02 -1.32 -0.26 0.00 0.47 0.00 0.00 55.06 53.93 1vha s HIS 11 Cb -0.06 -1.48 -0.08 0.00 -0.13 0.00 0.00 32.58 30.83 1vha s HIS 11 CO 0.00 -0.68 0.81 0.00 -2.47 0.00 0.00 174.74 172.41 1vha s ALA 12 N 1.52 3.42 0.17 1.58 0.00 -1.26 -1.39 121.76 125.80 1vha s ALA 12 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1vha s ALA 12 Cb -0.16 -3.01 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 1vha s ALA 12 CO -0.08 0.27 1.17 -0.06 0.00 0.00 0.00 175.76 177.06 1vha s PHE 13 N -1.17 3.48 0.18 0.00 0.08 -0.63 -4.76 117.98 115.16 1vha s PHE 13 Ca 0.37 1.47 0.02 0.00 0.12 0.00 0.00 56.93 58.91 1vha s PHE 13 Cb -0.24 -3.38 -0.05 0.00 -0.57 0.00 0.00 43.02 38.79 1vha s PHE 13 CO 0.27 -1.02 0.01 0.20 -0.10 0.00 0.00 175.22 174.58 1vha s GLY 14 N 0.15 1.29 0.04 4.36 0.00 -1.26 -4.33 107.32 107.57 1vha s GLY 14 Ca 0.52 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1vha s GLY 14 CO 0.35 -1.54 -0.07 -1.83 0.00 0.00 0.00 173.10 170.01 1vha s GLU 15 N -3.93 0.49 -0.13 2.90 1.03 0.15 -4.97 118.70 114.25 1vha s GLU 15 Ca 0.26 -0.72 0.02 0.00 0.03 0.00 0.00 54.97 54.56 1vha s GLU 15 Cb 0.06 -0.24 -0.00 0.00 -0.80 0.00 0.00 34.13 33.15 1vha s GLU 15 CO 0.05 0.04 -0.19 0.34 -1.33 0.00 0.00 175.26 174.18 1vha s ASP 16 N -1.52 3.47 0.01 0.83 3.68 -1.26 0.14 116.67 122.03 1vha s ASP 16 Ca -0.10 -0.49 0.02 0.00 2.13 0.00 0.00 52.55 54.11 1vha s ASP 16 Cb -0.10 -1.51 -0.01 0.00 -1.45 0.00 0.00 42.92 39.86 1vha s ASP 16 CO 0.00 0.12 -0.06 0.00 0.13 0.00 0.00 175.17 175.36 1vha s ARG 17 N 0.57 0.49 0.26 4.34 1.70 0.41 -4.96 118.95 121.74 1vha s ARG 17 Ca -0.11 -0.33 -0.26 0.00 -0.47 0.00 0.00 55.73 54.56 1vha s ARG 17 Cb -0.16 -0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 33.70 1vha s ARG 17 CO 0.04 0.11 0.87 -1.25 -1.08 0.00 0.00 175.30 173.99 1vha s PRO 18 N -0.47 4.58 0.07 3.89 0.04 -1.26 0.50 135.00 142.37 1vha s PRO 18 Ca -0.00 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1vha s PRO 18 Cb -0.04 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1vha s PRO 18 CO -0.00 0.41 -0.06 -0.51 0.04 0.00 0.00 177.00 176.87 1vha s LEU 19 N -1.68 2.43 -0.28 -3.56 1.43 0.11 -4.89 118.68 112.24 1vha s LEU 19 Ca 0.44 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1vha s LEU 19 Cb -0.21 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 45.97 1vha s LEU 19 CO 0.26 -0.40 0.03 -0.63 0.23 0.00 0.00 176.35 175.83 1vha s ILE 20 N -2.96 3.52 -0.16 -0.59 1.01 -1.26 0.46 121.20 121.22 1vha s ILE 20 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 1vha s ILE 20 Cb 0.01 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1vha s ILE 20 CO -0.04 0.10 -0.01 -0.63 0.00 0.00 0.00 174.94 174.35 1vha s ILE 21 N 1.42 0.77 -0.70 2.92 -1.09 -0.26 -4.75 121.20 119.51 1vha s ILE 21 Ca 0.01 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1vha s ILE 21 Cb -0.17 -1.05 0.00 0.00 -1.58 0.00 0.00 42.46 39.66 1vha s ILE 21 CO -0.00 0.04 0.29 0.61 -1.23 0.00 0.00 174.94 174.65 1vha n GLY 22 N 4.99 0.15 3.42 6.18 0.00 -1.26 -2.44 105.19 116.22 1vha n GLY 22 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.10 0.79 3.48 -0.02 0.00 -1.26 -4.98 105.19 102.10 1vha n GLY 23 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.81 3.71 -0.07 1.61 1.01 -1.02 -5.08 120.40 117.75 1vha s VAL 24 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 1vha s VAL 24 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1vha s VAL 24 CO 0.00 0.51 1.34 -1.61 0.00 0.00 0.00 175.10 175.34 1vha s GLU 25 N 0.28 4.27 0.05 2.72 2.02 -1.26 -1.10 118.70 125.69 1vha s GLU 25 Ca -0.05 1.83 0.04 0.00 0.02 0.00 0.00 54.97 56.81 1vha s GLU 25 Cb -0.14 -3.68 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 1vha s GLU 25 CO 0.03 -0.61 -0.11 0.14 0.02 0.00 0.00 175.26 174.73 1vha s VAL 26 N 2.88 0.81 0.07 2.63 -7.23 0.17 -4.96 120.40 114.77 1vha s VAL 26 Ca 0.60 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 1vha s VAL 26 Cb -0.27 -0.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1vha s VAL 26 CO 0.22 -0.27 0.78 -2.16 -0.31 0.00 0.00 175.10 173.37 1vha s PRO 27 N -1.54 4.52 -0.18 4.82 0.04 -1.26 0.07 135.00 141.47 1vha s PRO 27 Ca -0.05 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.10 1vha s PRO 27 Cb -0.09 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1vha s PRO 27 CO 0.01 0.32 -0.17 -0.47 0.04 0.00 0.00 177.00 176.73 1vha s TYR 28 N -0.21 2.62 -0.20 0.56 6.14 0.18 -4.92 117.35 121.53 1vha s TYR 28 Ca 0.39 -1.58 -0.13 0.00 0.64 0.00 0.00 57.07 56.39 1vha s TYR 28 Cb -0.21 -1.81 -0.04 0.00 0.42 0.00 0.00 41.96 40.31 1vha s TYR 28 CO 0.24 -0.77 0.28 -1.58 0.64 0.00 0.00 175.55 174.36 1vha s HIS 29 N 1.34 3.39 -0.08 4.97 5.65 -1.26 -0.45 115.29 128.84 1vha s HIS 29 Ca 0.04 0.48 -0.03 0.00 0.25 0.00 0.00 55.06 55.80 1vha s HIS 29 Cb -0.14 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.85 1vha s HIS 29 CO -0.11 0.11 0.04 0.99 -0.65 0.00 0.00 174.74 175.11 1vha s THR 30 N 0.92 4.61 0.00 0.89 2.01 0.38 -4.95 115.64 119.50 1vha s THR 30 Ca 0.14 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1vha s THR 30 Cb -0.14 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1vha s THR 30 CO 0.05 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 1vha n GLY 31 N 2.01 -2.50 3.77 4.40 0.00 -1.26 0.30 105.19 111.91 1vha n GLY 31 Ca -0.18 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1vha n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vha s PHE 32 N -0.37 2.66 -0.55 1.61 2.19 -1.26 -4.92 117.98 117.34 1vha s PHE 32 Ca 0.00 1.09 -0.26 0.00 0.33 0.00 0.00 56.93 58.09 1vha s PHE 32 Cb 0.00 -4.01 0.04 0.00 -1.31 0.00 0.00 43.02 37.74 1vha s PHE 32 CO 0.00 -3.06 1.03 0.42 1.83 0.00 0.00 175.22 175.44 1vha s ILE 33 N -0.83 4.27 0.41 3.12 1.01 -1.26 -4.69 121.20 123.22 1vha s ILE 33 Ca 0.55 0.54 -0.23 0.00 0.00 0.00 0.00 60.65 61.51 1vha s ILE 33 Cb -0.46 -4.60 -0.10 0.00 0.01 0.00 0.00 42.46 37.32 1vha s ILE 33 CO 0.58 -1.17 1.00 0.00 0.00 0.00 0.00 174.94 175.36 1vha s ALA 34 N 4.28 3.06 -0.15 9.38 0.00 -1.26 -4.95 121.76 132.11 1vha s ALA 34 Ca 0.35 0.57 0.15 0.00 0.00 0.00 0.00 51.96 53.03 1vha s ALA 34 Cb -0.11 -3.22 0.38 0.00 0.00 0.00 0.00 23.12 20.18 1vha s ALA 34 CO 0.22 -0.06 1.19 0.72 0.00 0.00 0.00 175.76 177.83 1vha n HIS 35 N -0.27 0.00 -3.47 0.00 8.25 -1.26 -5.04 115.22 113.44 1vha n HIS 35 Ca 0.06 -1.17 -0.05 0.00 -0.26 0.00 0.00 57.72 56.30 1vha n HIS 35 Cb 0.51 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.81 -1.27 -0.35 0.41 3.41 -1.26 -4.56 113.62 109.20 1vha n SER 36 Ca 0.15 -1.91 0.12 0.00 -0.26 0.00 0.00 58.87 56.98 1vha n SER 36 Cb 0.77 2.12 0.54 0.00 -0.26 0.00 0.00 64.21 67.38 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 -1.33 1.07 -0.16 4.04 5.68 -1.22 -4.89 116.55 119.73 1vha n ASP 37 Ca -0.05 -1.49 -0.02 0.00 -0.50 0.00 0.00 54.79 52.73 1vha n ASP 37 Cb 0.33 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 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 1.06 0.51 3.56 6.12 0.00 -1.26 -4.92 105.19 110.26 1vha n GLY 38 Ca 0.18 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.28 5.10 0.22 1.61 3.68 -1.26 -4.78 116.67 118.96 1vha s ASP 39 Ca 0.00 -0.56 -0.07 0.00 2.13 0.00 0.00 52.55 54.05 1vha s ASP 39 Cb 0.00 -2.56 0.17 0.00 -1.45 0.00 0.00 42.92 39.09 1vha s ASP 39 CO 0.00 -2.76 1.75 1.62 0.13 0.00 0.00 175.17 175.91 1vha h VAL 40 N 7.25 1.26 -0.50 1.11 3.04 -1.93 -0.44 116.25 126.03 1vha h VAL 40 Ca 0.06 -0.91 -0.05 0.00 -1.01 0.00 0.00 66.70 64.80 1vha h VAL 40 Cb 1.02 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 1vha h VAL 40 CO 1.20 0.36 0.13 0.00 -1.01 0.00 0.00 177.57 178.24 1vha h ALA 41 N 1.15 0.66 -0.02 3.17 0.00 -1.91 -1.82 119.26 120.50 1vha h ALA 41 Ca 0.23 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1vha h ALA 41 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vha h ALA 41 CO -0.01 0.35 -0.91 -0.07 0.00 0.00 0.00 179.25 178.62 1vha h LEU 42 N 0.69 0.62 0.02 0.00 3.38 -1.92 -2.20 115.31 115.89 1vha h LEU 42 Ca 0.16 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1vha h LEU 42 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1vha h LEU 42 CO 0.00 1.26 -0.01 0.45 0.09 0.00 0.00 178.44 180.24 1vha h HIS 43 N 0.29 -0.02 -0.51 1.13 3.86 -1.00 0.15 115.15 119.04 1vha h HIS 43 Ca -0.08 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1vha h HIS 43 Cb 1.54 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.99 1vha h HIS 43 CO 0.07 0.04 0.33 0.00 0.86 0.00 0.00 177.93 179.23 1vha h ALA 44 N 0.91 0.65 -0.69 2.45 0.00 -1.39 -0.21 119.26 120.98 1vha h ALA 44 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1vha h ALA 44 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1vha h ALA 44 CO 0.00 0.11 0.38 1.25 0.00 0.00 0.00 179.25 181.00 1vha h LEU 45 N 0.69 0.85 -0.52 0.00 5.85 -1.20 -0.52 115.31 120.46 1vha h LEU 45 Ca 0.19 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1vha h LEU 45 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1vha h LEU 45 CO -0.04 0.68 -0.27 0.74 -0.34 0.00 0.00 178.44 179.21 1vha h THR 46 N 0.96 1.27 -0.11 1.05 2.02 -0.10 -2.36 112.91 115.65 1vha h THR 46 Ca 0.25 -1.43 -0.12 0.00 0.77 0.00 0.00 66.41 65.88 1vha h THR 46 Cb 0.01 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1vha h THR 46 CO -0.04 0.48 -0.47 0.44 0.37 0.00 0.00 175.52 176.30 1vha h ASP 47 N 0.78 0.29 -0.32 4.18 3.32 -0.48 -2.53 116.42 121.66 1vha h ASP 47 Ca 0.09 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1vha h ASP 47 Cb 0.83 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1vha h ASP 47 CO 0.07 0.73 0.03 0.00 -1.72 0.00 0.00 179.24 178.35 1vha h ALA 48 N 1.28 0.42 -0.29 3.45 0.00 -0.86 -0.81 119.26 122.45 1vha h ALA 48 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1vha h ALA 48 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1vha h ALA 48 CO 0.08 0.14 -0.15 0.82 0.00 0.00 0.00 179.25 180.13 1vha h ILE 49 N 0.36 1.30 -0.39 0.00 2.04 -1.42 -1.75 117.51 117.63 1vha h ILE 49 Ca 0.09 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1vha h ILE 49 Cb 0.39 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1vha h ILE 49 CO 0.01 0.40 -0.01 -0.07 0.00 0.00 0.00 178.15 178.48 1vha h LEU 50 N 0.37 0.59 -0.55 1.44 3.38 -1.46 -2.89 115.31 116.20 1vha h LEU 50 Ca 0.06 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1vha h LEU 50 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vha h LEU 50 CO 0.05 0.68 -0.49 1.23 0.09 0.00 0.00 178.44 180.00 1vha h GLY 51 N 0.91 0.67 2.00 0.83 0.00 -1.01 0.48 103.07 106.94 1vha h GLY 51 Ca 0.12 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1vha h GLY 51 CO 0.02 0.65 -0.31 0.00 0.00 0.00 0.00 176.54 176.90 1vha h ALA 52 N 0.98 1.40 -0.35 3.60 0.00 -1.14 -2.35 119.26 121.41 1vha h ALA 52 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vha h ALA 52 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vha h ALA 52 CO 0.10 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1vha n ALA 53 N -2.44 2.45 -3.35 0.00 0.00 -1.11 -4.50 120.51 111.56 1vha n ALA 53 Ca -0.02 -0.86 -0.22 0.00 0.00 0.00 0.00 53.44 52.34 1vha n ALA 53 Cb 0.37 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 1.13 -1.12 -0.15 0.00 0.00 -0.83 -4.91 120.51 114.64 1vha n ALA 54 Ca 0.18 0.35 0.12 0.00 0.00 0.00 0.00 53.44 54.09 1vha n ALA 54 Cb 0.52 -4.72 0.29 0.00 0.00 0.00 0.00 19.45 15.54 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 -4.41 3.80 0.00 0.00 4.77 0.16 -5.01 117.00 116.31 1vha n LEU 55 Ca -0.03 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1vha n LEU 55 Cb 0.57 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1vha n LEU 55 CO 0.55 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1vha n GLY 56 N 1.63 1.15 3.76 -0.72 0.00 -1.24 -4.95 105.19 104.81 1vha n GLY 56 Ca 0.23 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.03 0.60 1.61 1.47 -1.26 -4.10 116.67 110.95 1vha s ASP 57 Ca 0.00 -0.93 0.28 0.00 1.18 0.00 0.00 52.55 53.08 1vha s ASP 57 Cb 0.00 0.74 1.30 0.00 -0.34 0.00 0.00 42.92 44.62 1vha s ASP 57 CO 0.00 -1.43 1.69 -0.29 0.68 0.00 0.00 175.17 175.82 1vha h ILE 58 N 2.05 0.22 0.00 2.11 2.10 -1.90 -2.45 117.51 119.64 1vha h ILE 58 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1vha h ILE 58 Cb 1.25 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1vha h ILE 58 CO 0.33 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.01 1vha n GLY 59 N -1.57 1.47 0.24 8.18 0.00 -1.26 -2.99 105.19 109.27 1vha n GLY 59 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.52 0.00 0.15 1.61 5.02 -0.92 -4.90 118.16 119.64 1vha n LYS 60 Ca 0.00 -0.51 0.04 0.00 -2.02 0.00 0.00 58.31 55.81 1vha n LYS 60 Cb 0.35 -0.34 0.07 0.00 -0.02 0.00 0.00 35.03 35.09 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 0.00 -6.25 -0.35 3.38 -1.75 -3.42 115.31 106.92 1vha h LEU 61 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1vha h LEU 61 Cb 1.13 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.61 1vha h LEU 61 CO 0.00 0.45 -0.62 -0.36 0.09 0.00 0.00 178.44 178.00 1vha s PHE 62 N -3.04 -0.71 0.00 1.13 0.08 -1.26 -5.04 117.98 109.13 1vha s PHE 62 Ca 0.04 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1vha s PHE 62 Cb 0.08 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.33 1vha s PHE 62 CO 0.73 -1.03 0.67 -0.35 -0.10 0.00 0.00 175.22 175.15 1vha n PRO 63 N 4.30 0.56 0.00 0.24 -0.04 -1.26 -5.11 135.00 133.69 1vha n PRO 63 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1vha n PRO 63 Cb 0.49 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1vha n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vha n LYS 70 N 0.92 3.61 0.00 0.54 4.81 -1.26 -5.22 118.16 121.56 1vha n LYS 70 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1vha n LYS 70 Cb 0.28 0.00 0.54 0.00 0.02 0.00 0.00 35.03 35.87 1vha n LYS 70 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1vha n ASN 71 N 0.00 0.13 0.28 3.14 5.03 -1.26 -3.59 115.26 118.98 1vha n ASN 71 Ca 0.00 0.28 0.15 0.00 0.87 0.00 0.00 54.58 55.89 1vha n ASN 71 Cb 0.00 -0.31 0.79 0.00 -1.02 0.00 0.00 39.78 39.24 1vha n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vha h ALA 72 N 3.03 1.15 -3.04 5.41 0.00 -1.92 -3.38 119.26 120.51 1vha h ALA 72 Ca 0.00 -0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.18 1vha h ALA 72 Cb 0.49 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.98 1vha h ALA 72 CO 0.00 0.10 -0.72 0.34 0.00 0.00 0.00 179.25 178.97 1vha s ASP 73 N -5.87 4.33 0.23 0.00 2.15 -1.24 -3.41 116.67 112.87 1vha s ASP 73 Ca -0.02 -0.49 0.26 0.00 0.43 0.00 0.00 52.55 52.72 1vha s ASP 73 Cb 0.12 -1.73 0.78 0.00 -0.30 0.00 0.00 42.92 41.79 1vha s ASP 73 CO 0.55 -0.05 1.76 0.28 -0.17 0.00 0.00 175.17 177.54 1vha h SER 74 N 8.10 0.00 1.25 -0.34 0.02 -1.88 -3.07 113.55 117.62 1vha h SER 74 Ca -0.40 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.41 1vha h SER 74 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1vha h SER 74 CO 0.60 0.00 -0.70 0.03 -1.14 0.00 0.00 176.83 175.62 1vha h ARG 75 N 0.00 0.00 -0.38 3.45 3.08 -1.96 -1.80 114.38 116.77 1vha h ARG 75 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1vha h ARG 75 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1vha h ARG 75 CO 0.00 0.70 -0.20 0.78 -1.07 0.00 0.00 179.97 180.18 1vha h GLY 76 N 3.19 0.89 1.01 0.04 0.00 -1.88 -0.65 103.07 105.66 1vha h GLY 76 Ca -0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1vha h GLY 76 CO 0.09 0.73 -0.05 1.41 0.00 0.00 0.00 176.54 178.72 1vha h LEU 77 N 0.62 0.84 -0.07 3.11 3.38 -1.49 -1.82 115.31 119.87 1vha h LEU 77 Ca 0.08 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1vha h LEU 77 Cb 0.76 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vha h LEU 77 CO 0.06 0.97 0.03 0.25 0.09 0.00 0.00 178.44 179.84 1vha h LEU 78 N 0.69 0.04 -0.19 1.67 5.85 -1.19 -0.94 115.31 121.24 1vha h LEU 78 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1vha h LEU 78 Cb 0.58 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1vha h LEU 78 CO 0.03 0.03 0.06 0.03 -0.34 0.00 0.00 178.44 178.25 1vha h ARG 79 N 0.07 0.14 -0.83 1.25 3.08 -1.03 -0.85 114.38 116.21 1vha h ARG 79 Ca 0.03 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.18 1vha h ARG 79 Cb 0.01 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1vha h ARG 79 CO -0.03 0.09 0.54 1.49 -1.07 0.00 0.00 179.97 180.99 1vha h GLU 80 N 0.15 0.70 -0.27 0.04 4.57 -1.09 0.40 114.58 119.07 1vha h GLU 80 Ca 0.08 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1vha h GLU 80 Cb 0.06 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1vha h GLU 80 CO -0.09 0.46 -0.13 0.00 -1.18 0.00 0.00 179.01 178.07 1vha h ALA 81 N 1.60 0.38 -0.54 2.92 0.00 -0.39 -2.44 119.26 120.79 1vha h ALA 81 Ca 0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1vha h ALA 81 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1vha h ALA 81 CO -0.16 0.26 0.08 0.35 0.00 0.00 0.00 179.25 179.78 1vha h PHE 82 N 0.30 0.91 0.09 0.00 3.04 0.08 -0.45 116.94 120.93 1vha h PHE 82 Ca 0.06 -0.11 0.01 0.00 3.98 0.00 0.00 57.97 61.91 1vha h PHE 82 Cb 0.65 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1vha h PHE 82 CO 0.06 0.79 -0.17 -0.09 -2.02 0.00 0.00 178.31 176.88 1vha h ARG 83 N 0.83 -0.32 -0.60 1.11 2.43 -0.14 -1.06 114.38 116.63 1vha h ARG 83 Ca 0.17 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1vha h ARG 83 Cb 0.38 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1vha h ARG 83 CO 0.01 -0.21 0.29 1.96 -1.51 0.00 0.00 179.97 180.50 1vha h GLN 84 N -0.33 0.85 -0.66 0.20 4.20 -1.12 -1.76 115.11 116.49 1vha h GLN 84 Ca 0.03 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1vha h GLN 84 Cb 0.35 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1vha h GLN 84 CO -0.10 0.66 0.16 0.28 -0.67 0.00 0.00 178.83 179.16 1vha h VAL 85 N 0.85 1.25 -0.45 -0.54 2.07 -0.61 -2.33 116.25 116.50 1vha h VAL 85 Ca 0.21 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1vha h VAL 85 Cb 0.09 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1vha h VAL 85 CO -0.03 0.35 -0.06 1.56 0.02 0.00 0.00 177.57 179.42 1vha h GLN 86 N 0.99 0.78 -0.04 1.57 4.20 -0.67 -2.11 115.11 119.82 1vha h GLN 86 Ca 0.21 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1vha h GLN 86 Cb 0.35 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1vha h GLN 86 CO 0.00 0.83 0.05 0.93 -0.67 0.00 0.00 178.83 179.97 1vha h GLU 87 N 0.72 0.00 -0.31 1.46 5.08 -0.78 0.37 114.58 121.12 1vha h GLU 87 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1vha h GLU 87 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1vha h GLU 87 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1vha n LYS 88 N -3.68 2.15 -0.34 2.33 5.02 -0.85 -4.94 118.16 117.85 1vha n LYS 88 Ca -0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1vha n LYS 88 Cb 0.14 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.33 0.83 3.80 0.72 0.00 0.13 -5.03 105.19 106.97 1vha n GLY 89 Ca 0.18 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 3.12 0.20 1.61 1.51 -0.88 -2.22 117.35 118.69 1vha s TYR 90 Ca 0.00 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1vha s TYR 90 Cb 0.00 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 1vha s TYR 90 CO 0.00 0.52 0.06 -1.59 -1.11 0.00 0.00 175.55 173.43 1vha s LYS 91 N -3.34 1.18 0.14 -0.62 -2.85 0.69 -3.64 119.74 111.31 1vha s LYS 91 Ca 0.31 -1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 53.38 1vha s LYS 91 Cb -0.09 -0.10 -0.07 0.00 -2.06 0.00 0.00 37.83 35.51 1vha s LYS 91 CO 0.24 -0.24 1.11 0.42 0.10 0.00 0.00 175.35 176.98 1vha s ILE 92 N -3.83 3.96 -0.05 3.79 1.09 -1.26 -1.15 121.20 123.75 1vha s ILE 92 Ca 0.30 1.61 -0.02 0.00 -1.10 0.00 0.00 60.65 61.44 1vha s ILE 92 Cb 0.07 -4.03 -0.01 0.00 -1.06 0.00 0.00 42.46 37.44 1vha s ILE 92 CO 0.08 0.24 -0.03 1.23 -0.10 0.00 0.00 174.94 176.35 1vha h GLY 93 N 5.54 0.00 -3.89 6.18 0.00 -0.40 -3.44 103.07 107.06 1vha h GLY 93 Ca -0.44 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.02 1vha h GLY 93 CO 0.74 0.00 0.58 0.54 0.00 0.00 0.00 176.54 178.40 1vha s ASN 94 N -4.19 -0.32 0.07 0.19 4.22 -1.12 -4.88 114.94 108.91 1vha s ASN 94 Ca -0.03 0.16 0.04 0.00 -2.14 0.00 0.00 52.86 50.89 1vha s ASN 94 Cb 0.00 0.30 -0.03 0.00 1.28 0.00 0.00 41.25 42.81 1vha s ASN 94 CO 0.04 -0.43 -0.12 0.68 -2.04 0.00 0.00 177.10 175.23 1vha s VAL 95 N -2.17 0.95 -0.04 3.54 -7.23 -0.12 -1.57 120.40 113.75 1vha s VAL 95 Ca 0.03 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1vha s VAL 95 Cb -0.01 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.95 1vha s VAL 95 CO -0.04 -0.32 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.79 1vha s ASP 96 N -1.83 0.81 -0.06 4.85 3.68 -0.85 -1.82 116.67 121.45 1vha s ASP 96 Ca -0.03 -0.07 0.06 0.00 2.13 0.00 0.00 52.55 54.64 1vha s ASP 96 Cb -0.09 -0.34 -0.01 0.00 -1.45 0.00 0.00 42.92 41.03 1vha s ASP 96 CO 0.01 -0.10 -0.24 -0.63 0.13 0.00 0.00 175.17 174.35 1vha s ILE 97 N 1.14 2.15 -0.28 4.11 1.01 0.05 -1.93 121.20 127.45 1vha s ILE 97 Ca -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.56 1vha s ILE 97 Cb -0.14 -1.78 0.07 0.00 0.01 0.00 0.00 42.46 40.63 1vha s ILE 97 CO -0.02 0.57 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 1vha s THR 98 N -0.20 1.89 0.05 2.92 2.01 0.18 -0.91 115.64 121.59 1vha s THR 98 Ca -0.02 -1.68 -0.26 0.00 0.31 0.00 0.00 61.69 60.04 1vha s THR 98 Cb -0.13 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1vha s THR 98 CO 0.03 -0.26 0.80 -0.63 -0.69 0.00 0.00 174.62 173.88 1vha s ILE 99 N 1.18 4.71 -0.36 1.82 1.01 0.73 -1.00 121.20 129.28 1vha s ILE 99 Ca -0.01 1.71 -0.00 0.00 0.00 0.00 0.00 60.65 62.35 1vha s ILE 99 Cb -0.19 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.22 1vha s ILE 99 CO -0.08 0.35 0.11 -0.63 0.00 0.00 0.00 174.94 174.69 1vha s ILE 100 N 0.02 2.86 -0.07 2.92 1.01 -0.02 -0.68 121.20 127.23 1vha s ILE 100 Ca 0.40 -2.04 -0.12 0.00 0.00 0.00 0.00 60.65 58.89 1vha s ILE 100 Cb -0.21 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1vha s ILE 100 CO 0.24 -0.55 0.30 0.00 0.00 0.00 0.00 174.94 174.93 1vha s ALA 101 N 1.07 -0.74 -0.57 9.38 0.00 -0.73 -1.61 121.76 128.57 1vha s ALA 101 Ca 0.07 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 1vha s ALA 101 Cb -0.21 -0.23 -0.21 0.00 0.00 0.00 0.00 23.12 22.47 1vha s ALA 101 CO -0.05 -0.20 3.40 0.94 0.00 0.00 0.00 175.76 179.85 1vha n GLN 102 N 2.16 2.60 -4.48 0.00 -0.06 -1.25 -4.20 117.38 112.16 1vha n GLN 102 Ca -0.17 -1.43 -0.23 0.00 -2.00 0.00 0.00 57.00 53.18 1vha n GLN 102 Cb 0.57 -2.28 -0.11 0.00 -4.06 0.00 0.00 30.24 24.36 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 1.40 2.52 0.00 1.69 0.00 -1.26 -5.02 121.76 121.09 1vha s ALA 103 Ca 0.68 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1vha s ALA 103 Cb 0.27 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1vha s ALA 103 CO -0.02 -0.20 0.00 -0.35 0.00 0.00 0.00 175.76 175.19 1vha n PRO 104 N -0.71 0.00 -2.38 0.00 -0.04 -1.26 -4.89 135.00 125.72 1vha n PRO 104 Ca -0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 1vha n PRO 104 Cb 0.66 -0.07 -0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1vha n PRO 104 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1vha s LYS 105 N -0.26 4.29 0.00 0.54 0.00 -1.26 -5.08 119.74 117.97 1vha s LYS 105 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 55.97 57.72 1vha s LYS 105 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 37.83 34.17 1vha s LYS 105 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 175.35 175.31 1vha n ARG 107 N 5.83 0.00 0.16 1.78 3.00 -1.26 -4.91 116.66 121.26 1vha n ARG 107 Ca 0.13 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 58.01 1vha n ARG 107 Cb 0.45 -0.69 0.46 0.00 0.00 0.00 0.00 32.46 32.69 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 0.17 0.00 5.56 0.11 -2.05 -2.71 132.00 133.09 1vha h PRO 108 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1vha h PRO 108 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1vha h PRO 108 CO 0.00 0.27 -0.91 0.72 -0.21 0.00 0.00 178.00 177.87 1vha n HIS 109 N -4.35 0.45 0.26 0.65 8.25 -1.26 -4.47 115.22 114.75 1vha n HIS 109 Ca -0.01 0.13 -0.17 0.00 -0.26 0.00 0.00 57.72 57.41 1vha n HIS 109 Cb 0.21 -0.59 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 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 0.00 0.16 -1.01 1.59 1.08 -1.90 -2.77 117.51 114.67 1vha h ILE 110 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 1vha h ILE 110 Cb 0.78 0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 1vha h ILE 110 CO 0.00 0.00 0.62 0.44 -0.69 0.00 0.00 178.15 178.52 1vha h ASP 111 N -0.86 0.86 0.00 1.72 3.45 -1.78 -0.03 116.42 119.77 1vha h ASP 111 Ca -0.04 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1vha h ASP 111 Cb 0.76 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1vha h ASP 111 CO -0.06 0.38 0.00 0.00 -1.57 0.00 0.00 179.24 177.99 1vha n ALA 112 N -2.34 1.47 0.00 3.45 0.00 -1.05 -1.30 120.51 120.75 1vha n ALA 112 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1vha n ALA 112 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.77 0.00 -0.10 0.00 1.74 -0.03 -2.18 116.66 116.86 1vha n ARG 114 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1vha n ARG 114 Cb 0.05 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.39 -0.45 7.54 0.00 -1.46 0.61 119.26 125.89 1vha h ALA 115 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1vha h ALA 115 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1vha h ALA 115 CO 0.00 -0.25 0.28 0.87 0.00 0.00 0.00 179.25 180.15 1vha h LYS 116 N 0.29 0.56 -0.24 0.00 1.57 -1.70 0.15 116.57 117.20 1vha h LYS 116 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1vha h LYS 116 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1vha h LYS 116 CO -0.13 0.37 0.06 0.82 -0.57 0.00 0.00 179.45 180.00 1vha h ILE 117 N 0.58 1.21 -0.92 1.86 2.04 -1.69 -1.18 117.51 119.39 1vha h ILE 117 Ca 0.17 -0.66 0.12 0.00 1.00 0.00 0.00 64.86 65.49 1vha h ILE 117 Cb -0.03 1.20 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1vha h ILE 117 CO -0.06 0.21 0.55 0.00 0.00 0.00 0.00 178.15 178.85 1vha h ALA 118 N 0.88 1.37 -0.15 1.87 0.00 0.63 -0.62 119.26 123.25 1vha h ALA 118 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vha h ALA 118 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1vha h ALA 118 CO -0.00 0.12 0.04 1.49 0.00 0.00 0.00 179.25 180.90 1vha h GLU 119 N 0.86 0.23 0.00 0.00 4.81 -0.27 -1.07 114.58 119.13 1vha h GLU 119 Ca 0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1vha h GLU 119 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1vha h GLU 119 CO -0.28 0.38 0.00 -0.44 -0.73 0.00 0.00 179.01 177.94 1vha h ASP 120 N 0.04 0.00 -0.23 1.04 3.32 -0.57 -2.70 116.42 117.32 1vha h ASP 120 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1vha h ASP 120 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1vha h ASP 120 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1vha n LEU 121 N -3.01 2.94 -3.87 1.55 4.77 -0.30 -4.59 117.00 114.49 1vha n LEU 121 Ca 0.01 -1.36 -0.24 0.00 -0.03 0.00 0.00 56.01 54.40 1vha n LEU 121 Cb 0.33 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1vha n LEU 121 CO 0.28 0.61 -0.18 0.00 -1.33 0.00 0.00 177.39 176.76 1vha n GLN 122 N 1.13 -3.80 -4.33 3.23 6.02 -0.51 -4.75 117.38 114.38 1vha n GLN 122 Ca 0.14 0.47 -0.20 0.00 -0.01 0.00 0.00 57.00 57.41 1vha n GLN 122 Cb 0.50 -4.73 -0.09 0.00 1.02 0.00 0.00 30.24 26.95 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 -3.39 6.40 0.54 0.00 3.68 -1.26 -4.54 116.67 118.09 1vha s ASP 124 Ca 0.36 1.66 0.35 0.00 2.13 0.00 0.00 52.55 57.05 1vha s ASP 124 Cb 0.03 -2.52 1.54 0.00 -1.45 0.00 0.00 42.92 40.53 1vha s ASP 124 CO 0.22 -0.74 2.03 -0.29 0.13 0.00 0.00 175.17 176.51 1vha h ILE 125 N 0.86 0.00 0.00 4.11 2.10 -1.91 -1.89 117.51 120.79 1vha h ILE 125 Ca -0.47 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.11 1vha h ILE 125 Cb 1.20 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 1vha h ILE 125 CO 0.60 0.00 0.00 -0.08 -1.08 0.00 0.00 178.15 177.59 1vha h GLU 126 N 0.00 0.00 -0.19 2.19 4.22 -1.97 -1.64 114.58 117.19 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 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 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 -2.72 2.18 -4.04 1.92 6.02 -0.71 -4.86 117.38 115.17 1vha n GLN 127 Ca 0.00 -1.75 -0.31 0.00 -0.01 0.00 0.00 57.00 54.93 1vha n GLN 127 Cb 0.21 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.77 1.72 -0.04 5.09 1.01 -0.62 -0.95 120.40 124.85 1vha s VAL 128 Ca 0.34 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1vha s VAL 128 Cb 0.21 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1vha s VAL 128 CO 0.30 0.44 -0.25 0.21 0.00 0.00 0.00 175.10 175.80 1vha s ASN 129 N 1.42 3.11 -0.01 3.32 2.47 -0.75 -4.96 114.94 119.54 1vha s ASN 129 Ca 0.04 -0.47 0.02 0.00 0.42 0.00 0.00 52.86 52.87 1vha s ASN 129 Cb -0.13 -0.55 -0.00 0.00 -1.45 0.00 0.00 41.25 39.11 1vha s ASN 129 CO -0.11 0.29 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.80 1vha s VAL 130 N -0.45 0.60 0.08 -5.21 1.01 -1.26 -0.77 120.40 114.39 1vha s VAL 130 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1vha s VAL 130 Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1vha s VAL 130 CO 0.01 0.18 0.10 -1.59 0.00 0.00 0.00 175.10 173.80 1vha s LYS 131 N -0.08 0.76 -0.00 2.72 -2.85 -0.08 -4.95 119.74 115.26 1vha s LYS 131 Ca 0.01 -1.07 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1vha s LYS 131 Cb -0.04 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1vha s LYS 131 CO -0.00 -0.21 -0.12 0.00 0.10 0.00 0.00 175.35 175.12 1vha s ALA 132 N -3.89 1.01 0.13 0.59 0.00 -1.26 -0.19 121.76 118.15 1vha s ALA 132 Ca 0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1vha s ALA 132 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1vha s ALA 132 CO -0.10 0.24 0.17 -0.08 0.00 0.00 0.00 175.76 175.99 1vha s THR 133 N -0.35 0.10 0.42 0.00 -1.32 0.14 -4.93 115.64 109.71 1vha s THR 133 Ca 0.04 -1.56 0.07 0.00 -1.21 0.00 0.00 61.69 59.03 1vha s THR 133 Cb -0.05 -1.81 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 1vha s THR 133 CO -0.00 -0.46 0.09 0.42 -2.21 0.00 0.00 174.62 172.46 1vha s THR 134 N -3.97 2.04 -0.50 5.08 -4.23 -1.26 -1.77 115.64 111.02 1vha s THR 134 Ca 0.17 -1.86 0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1vha s THR 134 Cb 0.05 -2.90 0.56 0.00 1.34 0.00 0.00 72.50 71.56 1vha s THR 134 CO -0.02 0.00 1.48 0.35 -0.54 0.00 0.00 174.62 175.89 1vha n THR 135 N -1.13 2.03 -3.71 3.99 -2.24 -1.26 -4.97 114.28 107.00 1vha n THR 135 Ca -0.05 -1.52 -0.23 0.00 -2.27 0.00 0.00 64.05 59.98 1vha n THR 135 Cb 0.66 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.15 -3.92 -0.92 -0.78 1.02 -1.26 -1.96 120.64 112.97 1vha n GLU 136 Ca 0.21 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1vha n GLU 136 Cb 0.85 -4.95 0.00 0.00 -0.02 0.00 0.00 31.44 27.32 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 -4.21 -0.42 -3.99 3.49 4.01 -1.26 -5.01 118.16 110.76 1vha n LYS 137 Ca -0.26 0.11 -0.25 0.00 -0.51 0.00 0.00 58.31 57.40 1vha n LYS 137 Cb 0.66 -3.53 -0.04 0.00 -0.51 0.00 0.00 35.03 31.62 1vha n LYS 137 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1vha s LEU 138 N 0.00 4.17 0.00 -0.35 1.43 -0.83 -4.10 118.68 119.00 1vha s LEU 138 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1vha s LEU 138 Cb 0.00 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1vha s LEU 138 CO 0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1vha n GLY 139 N -0.63 -2.03 0.25 -3.19 0.00 -1.26 -1.21 105.19 97.11 1vha n GLY 139 Ca -0.08 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.59 0.18 -0.05 1.61 -5.15 -1.96 0.58 116.94 111.56 1vha h PHE 140 Ca 0.01 -0.01 -0.22 0.00 -0.20 0.00 0.00 57.97 57.55 1vha h PHE 140 Cb 0.58 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.70 1vha h PHE 140 CO 0.00 0.27 -0.87 1.79 -2.00 0.00 0.00 178.31 177.50 1vha h THR 141 N 0.17 1.36 -0.52 0.88 1.35 -1.76 -0.66 112.91 113.73 1vha h THR 141 Ca 0.04 -2.26 -0.07 0.00 -0.55 0.00 0.00 66.41 63.57 1vha h THR 141 Cb 0.26 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1vha h THR 141 CO 0.01 0.68 0.03 1.23 -0.25 0.00 0.00 175.52 177.22 1vha h GLY 142 N 1.04 0.93 0.64 5.82 0.00 -0.28 -1.38 103.07 109.84 1vha h GLY 142 Ca -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1vha h GLY 142 CO 0.16 0.57 0.00 0.54 0.00 0.00 0.00 176.54 177.81 1vha n ARG 143 N -4.22 1.12 -3.24 4.80 1.74 0.11 -4.42 116.66 112.55 1vha n ARG 143 Ca 0.03 -0.17 -0.16 0.00 -0.77 0.00 0.00 57.85 56.78 1vha n ARG 143 Cb 0.30 -1.44 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 -0.75 -5.52 0.01 5.56 6.02 -0.52 -4.92 117.38 117.26 1vha n GLN 144 Ca 0.21 0.59 0.11 0.00 -0.01 0.00 0.00 57.00 57.89 1vha n GLN 144 Cb 0.14 -4.88 0.01 0.00 1.02 0.00 0.00 30.24 26.52 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 -3.62 0.12 -3.17 -1.09 1.02 -0.28 -4.96 120.64 108.65 1vha n GLU 145 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1vha n GLU 145 Cb 0.55 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.45 -1.20 3.16 0.62 0.00 -1.24 -1.60 105.19 106.38 1vha n GLY 146 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 0.46 0.30 -0.61 -4.36 -0.49 -4.38 121.20 109.11 1vha s ILE 147 Ca 0.00 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 1vha s ILE 147 Cb 0.00 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 1vha s ILE 147 CO 0.00 -0.75 0.18 0.00 0.24 0.00 0.00 174.94 174.61 1vha s ALA 148 N -3.79 1.84 -0.18 2.27 0.00 -0.63 -0.94 121.76 120.33 1vha s ALA 148 Ca 0.15 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.03 1vha s ALA 148 Cb 0.07 1.25 0.08 0.00 0.00 0.00 0.00 23.12 24.52 1vha s ALA 148 CO -0.03 -0.55 0.78 0.00 0.00 0.00 0.00 175.76 175.95 1vha s GLU 150 N -0.40 1.22 -0.09 0.00 2.12 -0.17 -1.38 118.70 120.00 1vha s GLU 150 Ca -0.04 -1.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.77 1vha s GLU 150 Cb -0.03 -1.37 0.05 0.00 0.26 0.00 0.00 34.13 33.04 1vha s GLU 150 CO 0.04 0.30 0.50 0.00 -0.54 0.00 0.00 175.26 175.56 1vha s ALA 151 N -1.65 -1.28 0.07 6.30 0.00 0.43 -0.64 121.76 124.99 1vha s ALA 151 Ca 0.12 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1vha s ALA 151 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1vha s ALA 151 CO 0.06 -0.29 -0.18 0.14 0.00 0.00 0.00 175.76 175.48 1vha s VAL 152 N -0.77 1.48 -0.00 0.00 -7.23 -0.81 -0.10 120.40 112.97 1vha s VAL 152 Ca -0.08 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1vha s VAL 152 Cb -0.03 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 1vha s VAL 152 CO 0.05 -0.03 0.05 0.00 -0.31 0.00 0.00 175.10 174.86 1vha s ALA 153 N -1.06 -0.11 -0.18 1.32 0.00 -0.34 -2.02 121.76 119.37 1vha s ALA 153 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1vha s ALA 153 Cb -0.09 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1vha s ALA 153 CO 0.03 -0.11 -0.20 -1.17 0.00 0.00 0.00 175.76 174.31 1vha s LEU 154 N -0.78 2.18 0.11 0.00 2.96 -0.61 -0.64 118.68 121.90 1vha s LEU 154 Ca -0.09 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.16 1vha s LEU 154 Cb -0.05 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1vha s LEU 154 CO 0.00 -0.01 0.24 -0.76 -1.32 0.00 0.00 176.35 174.50 1vha s LEU 155 N 1.28 4.30 0.03 -0.68 1.43 0.22 0.35 118.68 125.62 1vha s LEU 155 Ca 0.05 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1vha s LEU 155 Cb -0.13 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1vha s LEU 155 CO -0.13 0.10 -0.03 -0.63 0.23 0.00 0.00 176.35 175.90 1vha s ILE 156 N -1.63 0.17 -0.16 -0.59 1.01 -0.30 -1.23 121.20 118.47 1vha s ILE 156 Ca 0.34 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 1vha s ILE 156 Cb -0.12 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1vha s ILE 156 CO 0.28 -0.65 1.18 -0.13 0.00 0.00 0.00 174.94 175.62 1vha s ARG 157 N -2.21 4.27 0.00 2.79 1.81 -1.12 -0.22 118.95 124.26 1vha s ARG 157 Ca -0.09 1.57 0.30 0.00 -1.72 0.00 0.00 55.73 55.79 1vha s ARG 157 Cb -0.05 -3.69 1.54 0.00 -0.45 0.00 0.00 34.95 32.31 1vha s ARG 157 CO -0.04 -0.62 2.02 0.00 -0.68 0.00 0.00 175.30 175.98