#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h n ALA 2 N 0.00 -2.74 -1.39 -5.12 0.00 -1.26 -5.04 120.51 104.96 1j1h n ALA 2 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1j1h n ALA 2 Cb 0.00 -1.95 0.10 0.00 0.00 0.00 0.00 19.45 17.60 1j1h n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j1h n PRO 3 N -0.72 -0.69 -3.34 0.00 -0.04 -1.26 -5.05 135.00 123.89 1j1h n PRO 3 Ca 0.05 -0.93 -0.33 0.00 -0.04 0.00 0.00 63.50 62.25 1j1h n PRO 3 Cb 0.36 -0.64 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 1j1h n PRO 3 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j1h s VAL 4 N -2.30 4.85 0.54 0.52 0.11 -1.26 -4.93 120.40 117.94 1j1h s VAL 4 Ca 0.34 0.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1j1h s VAL 4 Cb -0.01 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1j1h s VAL 4 CO 0.24 0.02 0.00 0.18 -3.33 0.00 0.00 175.10 172.22 1j1h n LEU 5 N 0.16 -2.00 -4.02 2.54 4.77 -1.24 -4.21 117.00 113.00 1j1h n LEU 5 Ca -0.01 2.94 -0.10 0.00 -0.03 0.00 0.00 56.01 58.81 1j1h n LEU 5 Cb 0.52 -2.98 -0.11 0.00 -2.33 0.00 0.00 43.42 38.53 1j1h n LEU 5 CO 0.44 -0.02 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.50 1j1h s GLU 6 N -4.37 0.41 -1.17 3.23 0.41 -1.26 -4.27 118.70 111.67 1j1h s GLU 6 Ca 0.00 -0.74 -0.21 0.00 -0.41 0.00 0.00 54.97 53.61 1j1h s GLU 6 Cb 0.00 0.02 0.02 0.00 -1.78 0.00 0.00 34.13 32.39 1j1h s GLU 6 CO 0.00 -0.03 1.74 0.54 -0.49 0.00 0.00 175.26 177.02 1j1h s ASN 7 N -1.71 6.17 -0.01 -0.19 4.22 0.81 -4.63 114.94 119.61 1j1h s ASN 7 Ca -0.11 -1.87 -0.20 0.00 -2.14 0.00 0.00 52.86 48.53 1j1h s ASN 7 Cb -0.07 -2.58 -0.25 0.00 1.28 0.00 0.00 41.25 39.62 1j1h s ASN 7 CO -0.02 -1.85 1.05 -0.09 -2.04 0.00 0.00 177.10 174.15 1j1h h ARG 8 N 8.92 0.38 0.00 3.55 2.43 -1.77 -3.21 114.38 124.69 1j1h h ARG 8 Ca 0.31 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1j1h h ARG 8 Cb 0.93 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1j1h h ARG 8 CO 1.37 1.14 -0.07 -0.09 -1.51 0.00 0.00 179.97 180.81 1j1h h ARG 9 N -0.17 0.00 0.06 0.20 2.43 -1.86 -0.61 114.38 114.42 1j1h h ARG 9 Ca -0.09 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 1j1h h ARG 9 Cb 1.39 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1j1h h ARG 9 CO 0.13 0.07 -1.57 0.00 -1.51 0.00 0.00 179.97 177.09 1j1h h ALA 10 N 1.93 0.33 0.00 2.80 0.00 -1.71 0.73 119.26 123.33 1j1h h ALA 10 Ca -0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 54.91 53.52 1j1h h ALA 10 Cb 0.15 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1j1h h ALA 10 CO 0.01 0.96 -0.51 -0.09 0.00 0.00 0.00 179.25 179.61 1j1h h ARG 11 N -0.52 0.00 0.04 0.00 9.65 -1.57 -1.98 114.38 119.99 1j1h h ARG 11 Ca -0.38 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.12 1j1h h ARG 11 Cb 1.63 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 30.16 1j1h h ARG 11 CO -0.07 0.51 -2.26 0.72 2.80 0.00 0.00 179.97 181.67 1j1h n HIS 12 N -3.80 0.47 -0.03 2.20 8.25 -0.24 -4.79 115.22 117.29 1j1h n HIS 12 Ca -0.01 0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1j1h n HIS 12 Cb 0.55 -1.06 -0.06 0.00 1.12 0.00 0.00 29.99 30.54 1j1h n HIS 12 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1j1h n ASP 13 N -3.49 3.29 -3.57 0.41 -0.08 0.81 -5.03 116.55 108.89 1j1h n ASP 13 Ca -0.41 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.72 1j1h n ASP 13 Cb 0.98 0.85 -0.05 0.00 2.34 0.00 0.00 41.12 45.24 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1j1h s TYR 14 N -2.26 -0.44 -0.07 -0.67 6.14 0.22 -4.91 117.35 115.36 1j1h s TYR 14 Ca -0.03 0.52 -0.26 0.00 0.64 0.00 0.00 57.07 57.94 1j1h s TYR 14 Cb 0.03 0.35 -0.03 0.00 0.42 0.00 0.00 41.96 42.73 1j1h s TYR 14 CO 0.29 -0.64 0.81 -2.00 0.64 0.00 0.00 175.55 174.65 1j1h s GLU 15 N -2.36 4.44 -0.19 4.97 2.12 -1.26 -4.11 118.70 122.30 1j1h s GLU 15 Ca -0.06 1.07 -0.24 0.00 0.36 0.00 0.00 54.97 56.11 1j1h s GLU 15 Cb -0.01 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1j1h s GLU 15 CO -0.01 -0.07 0.77 0.42 -0.54 0.00 0.00 175.26 175.83 1j1h s ILE 16 N 1.21 4.91 0.00 -3.70 -1.09 -1.26 -4.44 121.20 116.84 1j1h s ILE 16 Ca 0.42 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1j1h s ILE 16 Cb -0.18 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1j1h s ILE 16 CO 0.19 0.03 0.39 -0.11 -1.23 0.00 0.00 174.94 174.21 1j1h n LEU 17 N 5.34 0.23 -4.55 2.97 0.00 0.94 -4.87 117.00 117.05 1j1h n LEU 17 Ca 0.03 0.64 -0.34 0.00 0.00 0.00 0.00 56.01 56.34 1j1h n LEU 17 Cb 0.49 -0.44 -0.12 0.00 0.00 0.00 0.00 43.42 43.36 1j1h n LEU 17 CO 0.47 -0.44 -0.38 -0.70 0.00 0.00 0.00 177.39 176.34 1j1h s GLU 18 N -1.64 2.88 0.10 1.96 2.56 -1.20 -4.91 118.70 118.45 1j1h s GLU 18 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.97 54.44 1j1h s GLU 18 Cb 0.00 -2.62 -0.04 0.00 2.00 0.00 0.00 34.13 33.47 1j1h s GLU 18 CO 0.00 0.59 -0.09 0.95 -0.56 0.00 0.00 175.26 176.15 1j1h s THR 19 N -0.60 0.90 0.05 -1.70 -4.23 -1.25 -0.32 115.64 108.48 1j1h s THR 19 Ca 0.09 -1.77 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1j1h s THR 19 Cb -0.12 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 1j1h s THR 19 CO 0.02 -0.67 0.02 -0.72 -0.54 0.00 0.00 174.62 172.73 1j1h s TYR 20 N -2.86 0.36 -0.09 3.99 -0.85 -1.18 -4.30 117.35 112.42 1j1h s TYR 20 Ca 0.08 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.86 1j1h s TYR 20 Cb -0.00 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.06 1j1h s TYR 20 CO -0.01 -0.36 -0.14 -2.00 -1.52 0.00 0.00 175.55 171.52 1j1h s GLU 21 N -3.16 2.98 0.34 -3.49 2.12 -1.26 -1.47 118.70 114.77 1j1h s GLU 21 Ca -0.00 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 54.69 1j1h s GLU 21 Cb 0.02 -2.50 -0.07 0.00 0.26 0.00 0.00 34.13 31.85 1j1h s GLU 21 CO -0.07 0.39 -0.03 0.00 -0.54 0.00 0.00 175.26 175.00 1j1h s ALA 22 N -0.11 2.76 -0.43 6.30 0.00 -1.01 -4.69 121.76 124.58 1j1h s ALA 22 Ca -0.02 -2.10 0.04 0.00 0.00 0.00 0.00 51.96 49.88 1j1h s ALA 22 Cb -0.14 0.19 0.12 0.00 0.00 0.00 0.00 23.12 23.29 1j1h s ALA 22 CO 0.04 -0.08 0.16 0.20 0.00 0.00 0.00 175.76 176.07 1j1h s GLY 23 N -3.58 2.14 -0.22 0.00 0.00 -0.44 -2.22 107.32 103.00 1j1h s GLY 23 Ca 0.33 -2.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.07 1j1h s GLY 23 CO 0.16 1.02 0.26 -0.42 0.00 0.00 0.00 173.10 174.12 1j1h s ILE 24 N 0.34 5.30 0.28 0.90 1.09 -0.29 -3.94 121.20 124.88 1j1h s ILE 24 Ca 0.14 0.42 0.03 0.00 -1.10 0.00 0.00 60.65 60.14 1j1h s ILE 24 Cb -0.22 -3.60 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 1j1h s ILE 24 CO -0.05 0.32 0.44 0.00 -0.10 0.00 0.00 174.94 175.55 1j1h s ALA 25 N 1.08 3.83 0.20 9.38 0.00 -1.26 -0.94 121.76 134.05 1j1h s ALA 25 Ca 0.13 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1j1h s ALA 25 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1j1h s ALA 25 CO 0.05 0.13 -0.14 -0.48 0.00 0.00 0.00 175.76 175.32 1j1h s LEU 26 N -4.12 2.79 0.00 0.00 0.05 -1.26 -4.99 118.68 111.15 1j1h s LEU 26 Ca 0.36 -0.70 -0.09 0.00 0.05 0.00 0.00 54.13 53.75 1j1h s LEU 26 Cb -0.09 -1.47 0.13 0.00 -2.05 0.00 0.00 46.19 42.71 1j1h s LEU 26 CO 0.32 0.10 0.72 1.17 -0.55 0.00 0.00 176.35 178.11 1j1h n LYS 27 N 0.02 -0.80 -0.10 1.48 4.81 -1.26 -4.71 118.16 117.60 1j1h n LYS 27 Ca -0.11 -1.12 -0.11 0.00 -0.87 0.00 0.00 58.31 56.11 1j1h n LYS 27 Cb 0.56 -0.76 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j1h h GLY 28 N -1.00 0.52 1.05 3.14 0.00 -2.01 -2.88 103.07 101.88 1j1h h GLY 28 Ca -0.24 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1j1h h GLY 28 CO 0.17 0.32 -0.41 -1.30 0.00 0.00 0.00 176.54 175.31 1j1h n THR 29 N -4.65 0.00 -0.01 4.70 -2.24 -1.26 -3.64 114.28 107.19 1j1h n THR 29 Ca -0.03 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1j1h n THR 29 Cb 0.21 0.17 0.57 0.00 -2.10 0.00 0.00 70.33 69.18 1j1h n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1j1h h GLU 30 N 0.12 0.23 -0.37 -0.78 5.08 -1.85 -0.89 114.58 116.12 1j1h h GLU 30 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j1h h GLU 30 Cb 0.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1j1h h GLU 30 CO 0.00 0.15 0.23 0.28 -1.00 0.00 0.00 179.01 178.67 1j1h h VAL 31 N 0.24 1.11 0.05 3.13 2.07 -1.65 1.68 116.25 122.87 1j1h h VAL 31 Ca 0.23 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1j1h h VAL 31 Cb 0.58 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1j1h h VAL 31 CO -0.04 0.11 -0.02 0.11 0.02 0.00 0.00 177.57 177.74 1j1h h LYS 32 N 0.51 -0.07 -0.11 1.57 1.57 -1.42 -0.17 116.57 118.44 1j1h h LYS 32 Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1j1h h LYS 32 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1j1h h LYS 32 CO -0.03 0.41 -0.59 0.77 -0.57 0.00 0.00 179.45 179.45 1j1h h SER 33 N -0.57 0.42 0.09 0.86 0.02 -1.57 0.67 113.55 113.47 1j1h h SER 33 Ca -0.01 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1j1h h SER 33 Cb 0.51 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1j1h h SER 33 CO 0.01 0.91 -0.04 0.25 -1.14 0.00 0.00 176.83 176.82 1j1h h LEU 34 N 0.28 -0.11 -0.85 5.07 7.12 0.25 3.02 115.31 130.08 1j1h h LEU 34 Ca -0.00 -0.39 -0.04 0.00 0.13 0.00 0.00 57.88 57.58 1j1h h LEU 34 Cb 1.10 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1j1h h LEU 34 CO 0.10 0.36 -0.19 -0.09 -0.13 0.00 0.00 178.44 178.49 1j1h h ARG 35 N -0.60 0.00 -0.52 1.25 2.43 -1.05 -2.66 114.38 113.23 1j1h h ARG 35 Ca -0.01 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 1j1h h ARG 35 Cb 0.49 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.90 1j1h h ARG 35 CO 0.02 0.19 0.13 0.00 -1.51 0.00 0.00 179.97 178.80 1j1h n ALA 36 N -2.18 4.44 -2.78 2.80 0.00 0.24 -4.32 120.51 118.71 1j1h n ALA 36 Ca 0.01 -2.89 -0.29 0.00 0.00 0.00 0.00 53.44 50.27 1j1h n ALA 36 Cb 0.46 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 1j1h n ALA 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j1h s GLY 37 N -2.02 1.93 -0.23 0.00 0.00 1.00 -4.70 107.32 103.30 1j1h s GLY 37 Ca 0.48 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1j1h s GLY 37 CO 0.05 -1.06 -0.14 1.25 0.00 0.00 0.00 173.10 173.20 1j1h s LYS 38 N -2.57 2.62 0.16 2.90 2.20 -0.93 -3.71 119.74 120.41 1j1h s LYS 38 Ca 0.29 -1.09 0.10 0.00 -0.36 0.00 0.00 55.97 54.92 1j1h s LYS 38 Cb -0.12 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1j1h s LYS 38 CO 0.22 -0.40 -0.21 0.08 -0.36 0.00 0.00 175.35 174.67 1j1h s VAL 39 N 1.21 2.55 -0.51 4.02 1.01 -1.26 -0.73 120.40 126.68 1j1h s VAL 39 Ca -0.02 -1.82 -0.25 0.00 0.00 0.00 0.00 61.98 59.89 1j1h s VAL 39 Cb -0.17 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1j1h s VAL 39 CO -0.08 -0.03 0.94 -0.62 0.00 0.00 0.00 175.10 175.30 1j1h s ASP 40 N -2.47 6.41 -0.41 3.32 2.15 -1.00 -4.81 116.67 119.86 1j1h s ASP 40 Ca 0.19 -0.15 -0.15 0.00 0.43 0.00 0.00 52.55 52.88 1j1h s ASP 40 Cb -0.09 -2.44 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1j1h s ASP 40 CO 0.10 -1.15 0.30 -0.36 -0.17 0.00 0.00 175.17 173.89 1j1h s PHE 41 N 3.88 3.24 0.00 -5.34 0.40 -1.26 -4.31 117.98 114.59 1j1h s PHE 41 Ca 0.33 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1j1h s PHE 41 Cb -0.11 -2.60 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1j1h s PHE 41 CO 0.22 -0.59 0.00 -2.37 0.70 0.00 0.00 175.22 173.18 1j1h n THR 42 N 5.17 0.00 -3.04 0.64 5.66 -1.26 -3.84 114.28 117.61 1j1h n THR 42 Ca -0.11 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.77 1j1h n THR 42 Cb 0.47 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1j1h n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j1h n GLY 43 N -1.92 -0.48 3.42 1.09 0.00 -1.26 -4.83 105.19 101.21 1j1h n GLY 43 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1j1h n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j1h n SER 44 N -1.79 3.15 -3.81 1.61 7.64 -1.26 -4.97 113.62 114.18 1j1h n SER 44 Ca 0.02 -2.99 -0.10 0.00 1.01 0.00 0.00 58.87 56.81 1j1h n SER 44 Cb 0.50 0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1j1h n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1j1h s PHE 45 N -2.66 0.04 0.06 1.43 0.08 -1.26 -4.64 117.98 111.03 1j1h s PHE 45 Ca 0.07 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1j1h s PHE 45 Cb -0.01 0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.43 1j1h s PHE 45 CO 0.04 -0.51 -0.13 0.00 -0.10 0.00 0.00 175.22 174.52 1j1h s ALA 46 N -3.18 1.10 0.04 5.36 0.00 -1.21 -0.79 121.76 123.07 1j1h s ALA 46 Ca -0.00 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1j1h s ALA 46 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1j1h s ALA 46 CO -0.07 0.15 -0.00 0.50 0.00 0.00 0.00 175.76 176.34 1j1h s ARG 47 N -1.62 2.68 -0.35 0.00 6.06 -0.19 -4.87 118.95 120.66 1j1h s ARG 47 Ca -0.02 -0.71 -0.03 0.00 -2.50 0.00 0.00 55.73 52.47 1j1h s ARG 47 Cb -0.10 -2.61 0.07 0.00 0.06 0.00 0.00 34.95 32.37 1j1h s ARG 47 CO 0.02 0.59 0.10 -0.06 -2.50 0.00 0.00 175.30 173.45 1j1h s PHE 48 N -1.17 3.38 -0.26 5.12 0.40 -1.26 -2.26 117.98 121.93 1j1h s PHE 48 Ca 0.22 -1.98 0.12 0.00 -0.60 0.00 0.00 56.93 54.70 1j1h s PHE 48 Cb -0.12 -2.56 0.65 0.00 0.51 0.00 0.00 43.02 41.50 1j1h s PHE 48 CO 0.13 -0.85 1.62 0.39 0.70 0.00 0.00 175.22 177.21 1j1h n GLU 49 N 4.65 3.27 -3.47 0.44 -0.58 -0.87 -4.96 120.64 119.13 1j1h n GLU 49 Ca -0.09 -3.03 -0.24 0.00 -0.42 0.00 0.00 57.16 53.38 1j1h n GLU 49 Cb 0.43 -2.04 0.01 0.00 -0.57 0.00 0.00 31.44 29.28 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j1h n ASP 50 N -0.36 -5.89 0.00 1.62 8.00 -1.26 -4.01 116.55 114.65 1j1h n ASP 50 Ca 0.32 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1j1h n ASP 50 Cb 1.15 -2.66 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j1h n GLY 51 N -1.00 1.16 2.82 0.44 0.00 -1.26 -4.67 105.19 102.69 1j1h n GLY 51 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1j1h n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1h s GLU 52 N 0.00 1.04 -0.52 1.61 2.02 -1.25 -3.66 118.70 117.94 1j1h s GLU 52 Ca 0.00 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.47 1j1h s GLU 52 Cb 0.00 -1.83 0.12 0.00 0.10 0.00 0.00 34.13 32.52 1j1h s GLU 52 CO 0.00 -0.47 0.47 -1.17 0.02 0.00 0.00 175.26 174.11 1j1h s LEU 53 N 1.76 6.07 0.12 1.80 2.96 -1.00 -2.04 118.68 128.35 1j1h s LEU 53 Ca 0.01 -1.73 -0.23 0.00 -0.22 0.00 0.00 54.13 51.95 1j1h s LEU 53 Cb -0.15 -2.19 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 1j1h s LEU 53 CO -0.07 -0.82 0.70 -0.31 -1.32 0.00 0.00 176.35 174.53 1j1h s TYR 54 N 1.59 3.85 0.39 5.38 2.02 -0.96 -0.08 117.35 129.53 1j1h s TYR 54 Ca 0.03 1.49 -0.27 0.00 -0.37 0.00 0.00 57.07 57.95 1j1h s TYR 54 Cb -0.29 -2.68 -0.10 0.00 -0.40 0.00 0.00 41.96 38.49 1j1h s TYR 54 CO 0.03 0.51 1.39 -0.51 -1.57 0.00 0.00 175.55 175.40 1j1h s LEU 55 N -1.00 4.28 0.01 -1.29 1.43 -1.26 -1.03 118.68 119.82 1j1h s LEU 55 Ca 0.34 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1j1h s LEU 55 Cb -0.22 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1j1h s LEU 55 CO 0.23 -0.85 0.00 1.21 0.23 0.00 0.00 176.35 177.17 1j1h n GLU 56 N 0.32 0.00 -0.07 1.70 2.13 0.03 -4.51 120.64 120.24 1j1h n GLU 56 Ca 0.02 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.91 1j1h n GLU 56 Cb 0.41 -0.21 0.10 0.00 0.27 0.00 0.00 31.44 32.02 1j1h n GLU 56 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j1h n ASN 57 N -2.73 2.32 -4.40 4.31 4.13 -0.42 -4.82 115.26 113.65 1j1h n ASN 57 Ca 0.00 -2.72 -0.44 0.00 1.68 0.00 0.00 54.58 53.10 1j1h n ASN 57 Cb 0.20 -0.29 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1j1h s LEU 58 N -2.24 5.35 -0.14 3.41 2.01 -1.25 -4.18 118.68 121.64 1j1h s LEU 58 Ca 0.22 -1.26 -0.15 0.00 0.01 0.00 0.00 54.13 52.95 1j1h s LEU 58 Cb 0.19 -2.33 -0.05 0.00 0.01 0.00 0.00 46.19 44.02 1j1h s LEU 58 CO 0.03 -0.94 0.36 -0.31 1.01 0.00 0.00 176.35 176.50 1j1h s TYR 59 N 2.40 3.49 -0.49 0.29 2.02 -1.26 -4.94 117.35 118.86 1j1h s TYR 59 Ca 0.11 0.71 -0.24 0.00 -0.37 0.00 0.00 57.07 57.28 1j1h s TYR 59 Cb -0.23 -2.40 0.03 0.00 -0.40 0.00 0.00 41.96 38.96 1j1h s TYR 59 CO 0.08 0.24 0.90 0.42 -1.57 0.00 0.00 175.55 175.62 1j1h s ILE 60 N 0.41 4.48 -0.45 2.71 1.09 -1.26 -2.37 121.20 125.81 1j1h s ILE 60 Ca 0.20 0.50 -0.10 0.00 -1.10 0.00 0.00 60.65 60.15 1j1h s ILE 60 Cb -0.14 -4.45 0.10 0.00 -1.06 0.00 0.00 42.46 36.91 1j1h s ILE 60 CO 0.06 -0.91 0.32 0.00 -0.10 0.00 0.00 174.94 174.32 1j1h s ALA 61 N 3.71 3.38 -0.09 9.38 0.00 0.09 -4.39 121.76 133.84 1j1h s ALA 61 Ca 0.33 -2.33 -0.01 0.00 0.00 0.00 0.00 51.96 49.95 1j1h s ALA 61 Cb -0.11 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 1j1h s ALA 61 CO 0.23 -1.78 -0.01 -1.00 0.00 0.00 0.00 175.76 173.19 1j1h h PRO 62 N 8.49 0.00 0.00 0.00 0.13 -1.93 -2.47 132.00 136.22 1j1h h PRO 62 Ca -0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1j1h h PRO 62 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1j1h h PRO 62 CO 0.83 0.00 0.06 0.98 -0.23 0.00 0.00 178.00 179.63 1j1h n TYR 63 N -4.47 -0.15 -2.10 1.56 4.19 -1.26 -4.62 117.16 110.32 1j1h n TYR 63 Ca -0.00 -0.25 -0.28 0.00 3.31 0.00 0.00 57.90 60.68 1j1h n TYR 63 Cb 0.02 0.76 0.14 0.00 0.49 0.00 0.00 39.34 40.74 1j1h n TYR 63 CO 0.00 0.00 0.00 -1.83 0.91 0.00 0.00 176.86 175.94 1j1h s GLU 64 N 0.01 1.28 0.00 2.98 -1.05 -1.26 -5.02 118.70 115.64 1j1h s GLU 64 Ca 0.01 -0.46 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1j1h s GLU 64 Cb 0.03 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 1j1h s GLU 64 CO -0.01 -1.92 0.00 0.36 0.95 0.00 0.00 175.26 174.64 1j1h n LYS 65 N -3.38 0.00 -1.64 -4.83 2.85 -1.26 -5.08 118.16 104.82 1j1h n LYS 65 Ca 0.13 0.00 -0.60 0.00 -1.05 0.00 0.00 58.31 56.79 1j1h n LYS 65 Cb 0.60 -0.34 -0.08 0.00 -0.65 0.00 0.00 35.03 34.56 1j1h n LYS 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j1h n GLY 66 N 0.51 0.25 3.50 2.58 0.00 -1.26 -4.88 105.19 105.90 1j1h n GLY 66 Ca 0.00 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.46 1j1h n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1h s SER 67 N 1.73 6.11 0.13 1.61 1.04 -1.26 -4.90 113.70 118.15 1j1h s SER 67 Ca 0.95 -0.57 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1j1h s SER 67 Cb -1.23 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 62.72 1j1h s SER 67 CO 0.64 -0.36 0.26 -0.31 0.98 0.00 0.00 173.24 174.45 1j1h s TYR 68 N 1.80 0.21 -0.59 5.02 2.02 -1.26 -5.00 117.35 119.56 1j1h s TYR 68 Ca 0.07 -0.60 0.13 0.00 -0.37 0.00 0.00 57.07 56.30 1j1h s TYR 68 Cb -0.18 -0.01 0.67 0.00 -0.40 0.00 0.00 41.96 42.05 1j1h s TYR 68 CO 0.11 -0.65 1.40 0.00 -1.57 0.00 0.00 175.55 174.84 1j1h n ALA 69 N -0.15 1.14 -3.34 3.71 0.00 -1.26 -4.02 120.51 116.59 1j1h n ALA 69 Ca -0.12 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1j1h n ALA 69 Cb 0.63 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1j1h n ALA 69 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j1h s ASN 70 N -3.59 0.79 0.32 0.00 2.47 -1.26 -5.14 114.94 108.53 1j1h s ASN 70 Ca -0.00 -1.26 -0.05 0.00 0.42 0.00 0.00 52.86 51.96 1j1h s ASN 70 Cb 0.04 0.79 -0.05 0.00 -1.45 0.00 0.00 41.25 40.59 1j1h s ASN 70 CO 0.15 -0.27 0.60 0.68 -3.72 0.00 0.00 177.10 174.53 1j1h s VAL 71 N 1.70 4.99 -0.31 -5.21 -7.23 -1.26 -5.07 120.40 108.02 1j1h s VAL 71 Ca 0.15 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1j1h s VAL 71 Cb -0.13 -3.76 0.09 0.00 0.56 0.00 0.00 36.38 33.14 1j1h s VAL 71 CO -0.10 -0.41 0.01 -0.62 -0.31 0.00 0.00 175.10 173.67 1j1h s ASP 72 N -3.32 4.60 0.00 4.85 2.15 -1.26 -5.08 116.67 118.61 1j1h s ASP 72 Ca 0.45 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.53 1j1h s ASP 72 Cb -0.10 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 1j1h s ASP 72 CO 0.32 -0.33 0.00 -0.81 -0.17 0.00 0.00 175.17 174.18 1j1h n PRO 73 N 4.35 1.47 0.10 4.34 -0.04 -1.26 -4.79 135.00 139.17 1j1h n PRO 73 Ca -0.01 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.65 1j1h n PRO 73 Cb 0.42 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.59 1j1h n PRO 73 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1j1h h ARG 74 N 0.00 0.00 -0.52 0.54 9.65 -1.99 -3.44 114.38 118.62 1j1h h ARG 74 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j1h h ARG 74 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1j1h h ARG 74 CO 0.00 0.00 0.00 -2.13 2.80 0.00 0.00 179.97 180.64 1j1h n ARG 75 N -3.53 0.00 -2.95 0.20 0.63 -1.26 -4.98 116.66 104.77 1j1h n ARG 75 Ca 0.08 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.57 1j1h n ARG 75 Cb 0.69 -2.86 -0.01 0.00 0.45 0.00 0.00 32.46 30.73 1j1h n ARG 75 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1j1h s LYS 76 N -4.39 3.89 -0.55 -0.14 2.36 -1.26 -4.89 119.74 114.75 1j1h s LYS 76 Ca 0.00 -2.27 0.04 0.00 -2.55 0.00 0.00 55.97 51.19 1j1h s LYS 76 Cb 0.00 -4.99 0.15 0.00 -1.05 0.00 0.00 37.83 31.95 1j1h s LYS 76 CO 0.00 -1.75 0.36 -0.98 1.55 0.00 0.00 175.35 174.53 1j1h s ARG 77 N 1.94 1.78 0.00 4.03 1.70 -1.26 -4.79 118.95 122.35 1j1h s ARG 77 Ca 0.38 -2.65 0.00 0.00 -0.47 0.00 0.00 55.73 52.99 1j1h s ARG 77 Cb -0.04 -2.73 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1j1h s ARG 77 CO -0.04 -1.25 0.00 0.36 -1.08 0.00 0.00 175.30 173.29 1j1h n LYS 78 N 2.71 0.00 -1.43 3.89 2.85 -1.26 -4.18 118.16 120.74 1j1h n LYS 78 Ca 0.17 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.05 1j1h n LYS 78 Cb 0.37 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.80 1j1h n LYS 78 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1j1h n LEU 79 N 0.00 1.36 -4.26 -5.58 4.32 0.88 -4.71 117.00 109.01 1j1h n LEU 79 Ca 0.00 0.70 -0.36 0.00 -0.02 0.00 0.00 56.01 56.32 1j1h n LEU 79 Cb 0.00 -1.23 -0.13 0.00 -1.62 0.00 0.00 43.42 40.44 1j1h n LEU 79 CO 0.00 -2.86 -0.31 -0.76 -1.22 0.00 0.00 177.39 172.24 1j1h s LEU 80 N -0.11 3.87 -0.12 2.23 1.43 -1.25 -2.37 118.68 122.36 1j1h s LEU 80 Ca 0.69 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1j1h s LEU 80 Cb -0.41 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1j1h s LEU 80 CO 0.54 -0.23 -0.21 -0.76 0.23 0.00 0.00 176.35 175.91 1j1h s LEU 81 N 1.39 2.20 0.19 1.79 1.02 -1.24 -1.33 118.68 122.70 1j1h s LEU 81 Ca -0.01 -0.53 -0.33 0.00 0.02 0.00 0.00 54.13 53.28 1j1h s LEU 81 Cb -0.18 -1.46 -0.14 0.00 0.02 0.00 0.00 46.19 44.43 1j1h s LEU 81 CO 0.01 0.14 1.37 1.41 0.02 0.00 0.00 176.35 179.29 1j1h n HIS 82 N 3.70 1.88 -0.02 0.29 8.25 -1.26 -3.92 115.22 124.13 1j1h n HIS 82 Ca -0.19 0.49 0.08 0.00 -0.26 0.00 0.00 57.72 57.84 1j1h n HIS 82 Cb 0.53 -2.41 0.48 0.00 1.12 0.00 0.00 29.99 29.70 1j1h n HIS 82 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1j1h h LYS 83 N 4.36 0.44 -0.80 -0.41 3.11 -1.83 0.54 116.57 121.97 1j1h h LYS 83 Ca -0.45 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.46 1j1h h LYS 83 Cb 1.30 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 32.37 1j1h h LYS 83 CO 0.77 0.29 0.52 0.45 -2.81 0.00 0.00 179.45 178.67 1j1h h HIS 84 N 0.45 0.82 -0.06 1.91 3.86 -1.93 0.07 115.15 120.27 1j1h h HIS 84 Ca 0.20 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.25 1j1h h HIS 84 Cb 0.24 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1j1h h HIS 84 CO -0.00 0.39 -0.77 0.93 0.86 0.00 0.00 177.93 179.34 1j1h h GLU 85 N 0.77 0.37 -0.01 2.45 4.39 -1.25 -3.35 114.58 117.94 1j1h h GLU 85 Ca 0.37 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1j1h h GLU 85 Cb 0.41 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1j1h h GLU 85 CO -0.14 0.97 -0.04 1.25 -1.16 0.00 0.00 179.01 179.89 1j1h h LEU 86 N 0.24 0.05 -1.46 1.33 6.46 -0.04 -3.35 115.31 118.54 1j1h h LEU 86 Ca -0.04 -0.61 -0.05 0.00 -0.12 0.00 0.00 57.88 57.07 1j1h h LEU 86 Cb 1.35 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1j1h h LEU 86 CO 0.13 0.65 -0.17 -0.09 -0.62 0.00 0.00 178.44 178.34 1j1h h ARG 87 N -0.54 0.13 -0.03 1.25 2.43 -1.51 -3.34 114.38 112.77 1j1h h ARG 87 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1j1h h ARG 87 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1j1h h ARG 87 CO 0.01 0.31 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.58 1j1h h ARG 88 N 0.13 0.13 -0.50 0.20 2.43 -1.70 -2.98 114.38 112.10 1j1h h ARG 88 Ca 0.02 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1j1h h ARG 88 Cb 0.39 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1j1h h ARG 88 CO 0.03 0.73 0.03 1.25 -1.51 0.00 0.00 179.97 180.49 1j1h h LEU 89 N -0.43 0.77 -1.04 3.80 7.12 -1.74 -2.80 115.31 120.99 1j1h h LEU 89 Ca -0.00 -0.17 -0.10 0.00 0.13 0.00 0.00 57.88 57.73 1j1h h LEU 89 Cb 0.74 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1j1h h LEU 89 CO 0.02 0.82 -0.44 0.25 -0.13 0.00 0.00 178.44 178.96 1j1h h LEU 90 N 0.76 0.08 -2.24 2.25 5.85 -1.68 -3.13 115.31 117.20 1j1h h LEU 90 Ca 0.15 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1j1h h LEU 90 Cb 0.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1j1h h LEU 90 CO 0.01 0.52 0.22 1.23 -0.34 0.00 0.00 178.44 180.08 1j1h h GLY 91 N 1.31 0.00 0.98 3.75 0.00 -1.32 -2.23 103.07 105.55 1j1h h GLY 91 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1j1h h GLY 91 CO 0.06 0.00 -1.72 0.50 0.00 0.00 0.00 176.54 175.38 1j1h h LYS 92 N 0.00 0.13 -0.40 4.80 1.79 -1.70 -3.37 116.57 117.83 1j1h h LYS 92 Ca 0.08 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 1j1h h LYS 92 Cb 0.51 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1j1h h LYS 92 CO -0.00 0.86 0.12 -0.39 -1.08 0.00 0.00 179.45 178.95 1j1h h VAL 93 N 0.04 1.17 0.00 0.50 -1.51 -1.52 -2.68 116.25 112.24 1j1h h VAL 93 Ca -0.30 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1j1h h VAL 93 Cb 2.01 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1j1h h VAL 93 CO 0.10 0.22 0.16 -0.62 -1.23 0.00 0.00 177.57 176.20 1j1h n GLU 94 N -4.34 0.10 0.00 5.19 1.02 -1.15 -3.55 120.64 117.90 1j1h n GLU 94 Ca 0.02 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1j1h n GLU 94 Cb 0.18 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1j1h n GLU 94 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1j1h n GLN 95 N -2.06 0.00 0.00 3.49 7.27 -1.01 -4.93 117.38 120.14 1j1h n GLN 95 Ca -0.01 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1j1h n GLN 95 Cb 0.18 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.82 1j1h n GLN 95 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1j1h n LYS 96 N -0.70 0.00 -0.34 3.69 4.81 -1.23 -4.96 118.16 119.43 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1h n GLY 97 N 0.00 0.75 3.94 3.14 0.00 -1.26 -4.76 105.19 106.99 1j1h n GLY 97 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1j1h n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1h s LEU 98 N 0.00 4.34 0.26 0.99 1.02 -1.26 -2.76 118.68 121.27 1j1h s LEU 98 Ca 0.00 0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.41 1j1h s LEU 98 Cb 0.00 -2.94 -0.06 0.00 0.02 0.00 0.00 46.19 43.22 1j1h s LEU 98 CO 0.00 0.07 -0.04 -0.89 0.02 0.00 0.00 176.35 175.51 1j1h s THR 99 N -1.70 1.43 -0.13 5.49 2.01 -1.16 -4.84 115.64 116.74 1j1h s THR 99 Ca 0.35 -2.09 0.01 0.00 0.31 0.00 0.00 61.69 60.27 1j1h s THR 99 Cb -0.11 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 69.99 1j1h s THR 99 CO 0.28 -0.30 -0.17 -1.48 -0.69 0.00 0.00 174.62 172.26 1j1h s LEU 100 N -3.40 1.85 -0.10 4.42 0.05 -1.26 -3.23 118.68 117.01 1j1h s LEU 100 Ca 0.29 -0.51 -0.08 0.00 0.05 0.00 0.00 54.13 53.88 1j1h s LEU 100 Cb 0.05 -1.24 0.03 0.00 -2.05 0.00 0.00 46.19 42.97 1j1h s LEU 100 CO 0.11 0.01 0.26 0.54 -0.55 0.00 0.00 176.35 176.72 1j1h s VAL 101 N 1.11 -0.01 -1.22 1.48 0.11 -1.25 -3.34 120.40 117.28 1j1h s VAL 101 Ca -0.02 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.85 1j1h s VAL 101 Cb -0.14 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1j1h s VAL 101 CO -0.05 0.01 1.87 -0.81 -3.33 0.00 0.00 175.10 172.79 1j1h n PRO 102 N 3.23 2.24 -0.37 1.54 -0.04 -1.26 -1.30 135.00 139.04 1j1h n PRO 102 Ca -0.15 -2.75 0.29 0.00 -0.04 0.00 0.00 63.50 60.85 1j1h n PRO 102 Cb 0.57 -3.59 0.58 0.00 -0.04 0.00 0.00 33.50 31.02 1j1h n PRO 102 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1j1h h LEU 103 N 15.36 0.33 -7.34 1.53 -0.00 0.29 -3.39 115.31 122.08 1j1h h LEU 103 Ca 0.33 0.10 -0.30 0.00 -0.00 0.00 0.00 57.88 58.00 1j1h h LEU 103 Cb 0.89 0.06 -0.35 0.00 -0.00 0.00 0.00 40.66 41.25 1j1h h LEU 103 CO 1.37 -0.02 -0.66 -0.54 -0.00 0.00 0.00 178.44 178.58 1j1h s LYS 104 N -5.37 0.01 -0.27 0.17 1.02 -0.85 -0.13 119.74 114.31 1j1h s LYS 104 Ca -0.08 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.34 1j1h s LYS 104 Cb 0.27 -0.30 0.05 0.00 -0.52 0.00 0.00 37.83 37.32 1j1h s LYS 104 CO 0.81 -0.26 -0.07 0.42 -0.92 0.00 0.00 175.35 175.33 1j1h s ILE 105 N 1.84 2.56 0.14 2.17 1.01 -1.26 -0.84 121.20 126.82 1j1h s ILE 105 Ca -0.01 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.24 1j1h s ILE 105 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1j1h s ILE 105 CO -0.05 -0.00 0.18 -0.72 0.00 0.00 0.00 174.94 174.35 1j1h s TYR 106 N 1.19 3.29 0.07 3.97 -0.85 -0.63 -4.09 117.35 120.30 1j1h s TYR 106 Ca -0.06 0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1j1h s TYR 106 Cb -0.19 -1.60 -0.03 0.00 0.38 0.00 0.00 41.96 40.52 1j1h s TYR 106 CO -0.04 0.52 -0.09 -0.06 -1.52 0.00 0.00 175.55 174.36 1j1h s PHE 107 N -1.67 0.90 -0.02 -3.49 0.40 -1.26 -1.97 117.98 110.87 1j1h s PHE 107 Ca 0.32 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1j1h s PHE 107 Cb -0.11 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.91 1j1h s PHE 107 CO 0.25 -0.04 0.15 -0.80 0.70 0.00 0.00 175.22 175.48 1j1h s ASN 108 N -2.04 -0.04 0.00 1.36 0.01 -1.03 -4.89 114.94 108.31 1j1h s ASN 108 Ca -0.01 -0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1j1h s ASN 108 Cb -0.06 0.25 0.27 0.00 0.41 0.00 0.00 41.25 42.12 1j1h s ASN 108 CO -0.00 -0.29 0.98 1.21 -1.51 0.00 0.00 177.10 177.49 1j1h n GLU 109 N 1.87 0.09 -0.20 -0.60 2.13 -1.26 -2.22 120.64 120.45 1j1h n GLU 109 Ca -0.20 0.21 0.02 0.00 0.66 0.00 0.00 57.16 57.85 1j1h n GLU 109 Cb 0.56 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.87 1j1h n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1j1h n ARG 110 N -1.25 1.86 -2.36 5.31 0.63 -1.26 -4.80 116.66 114.79 1j1h n ARG 110 Ca 0.03 -0.77 -0.17 0.00 -0.92 0.00 0.00 57.85 56.02 1j1h n ARG 110 Cb 0.04 -1.56 -0.01 0.00 0.45 0.00 0.00 32.46 31.38 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1h n GLY 111 N 0.31 -0.33 2.89 5.14 0.00 -0.94 -4.96 105.19 107.31 1j1h n GLY 111 Ca 0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1j1h n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j1h s TYR 112 N -2.86 2.34 -0.05 1.61 2.02 -1.22 -4.33 117.35 114.86 1j1h s TYR 112 Ca 0.02 -1.88 0.05 0.00 -0.37 0.00 0.00 57.07 54.89 1j1h s TYR 112 Cb -0.01 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1j1h s TYR 112 CO 0.02 -0.81 -0.22 0.00 -1.57 0.00 0.00 175.55 172.97 1j1h s ALA 113 N 1.40 1.93 -0.17 3.71 0.00 -0.12 -2.47 121.76 126.06 1j1h s ALA 113 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1j1h s ALA 113 Cb -0.18 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1j1h s ALA 113 CO -0.11 0.36 0.10 0.21 0.00 0.00 0.00 175.76 176.32 1j1h s LYS 114 N -0.07 3.85 -0.07 0.00 2.47 -0.83 -1.14 119.74 123.95 1j1h s LYS 114 Ca -0.04 -0.26 0.01 0.00 -1.56 0.00 0.00 55.97 54.12 1j1h s LYS 114 Cb -0.13 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1j1h s LYS 114 CO 0.03 0.43 -0.09 0.08 0.16 0.00 0.00 175.35 175.96 1j1h s VAL 115 N -0.04 3.50 -0.19 4.02 1.01 -0.94 -1.60 120.40 126.15 1j1h s VAL 115 Ca 0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1j1h s VAL 115 Cb -0.12 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1j1h s VAL 115 CO 0.00 0.59 -0.18 -0.76 0.00 0.00 0.00 175.10 174.76 1j1h s LEU 116 N -0.69 2.35 -0.20 3.92 1.43 -0.02 -2.41 118.68 123.07 1j1h s LEU 116 Ca 0.10 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1j1h s LEU 116 Cb -0.11 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1j1h s LEU 116 CO 0.01 -0.03 0.19 -0.22 0.23 0.00 0.00 176.35 176.54 1j1h s LEU 117 N 1.28 4.20 -0.25 1.79 1.98 -0.54 0.24 118.68 127.39 1j1h s LEU 117 Ca 0.03 0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.57 1j1h s LEU 117 Cb -0.14 -2.19 0.04 0.00 0.66 0.00 0.00 46.19 44.57 1j1h s LEU 117 CO -0.11 0.13 -0.09 -0.83 -1.89 0.00 0.00 176.35 173.55 1j1h s GLY 118 N 0.55 1.62 -0.27 7.98 0.00 -0.42 -3.09 107.32 113.70 1j1h s GLY 118 Ca 0.11 -1.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.02 1j1h s GLY 118 CO 0.01 0.54 0.70 -2.27 0.00 0.00 0.00 173.10 172.08 1j1h s LEU 119 N 1.22 4.08 -0.13 0.66 2.96 0.56 -3.95 118.68 124.08 1j1h s LEU 119 Ca -0.04 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 54.56 1j1h s LEU 119 Cb -0.18 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1j1h s LEU 119 CO -0.06 -0.45 0.05 0.00 -1.32 0.00 0.00 176.35 174.57 1j1h s ALA 120 N 2.66 3.44 -0.43 5.97 0.00 -1.20 -0.04 121.76 132.16 1j1h s ALA 120 Ca 0.29 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1j1h s ALA 120 Cb -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.25 1j1h s ALA 120 CO 0.09 0.43 0.45 -0.98 0.00 0.00 0.00 175.76 175.75 1j1h s ARG 121 N -0.40 3.10 0.52 0.00 1.70 -1.26 -2.99 118.95 119.62 1j1h s ARG 121 Ca 0.09 -0.78 0.35 0.00 -0.47 0.00 0.00 55.73 54.92 1j1h s ARG 121 Cb -0.12 -3.98 1.83 0.00 -0.57 0.00 0.00 34.95 32.11 1j1h s ARG 121 CO 0.02 -0.89 2.07 0.78 -1.08 0.00 0.00 175.30 176.20 1j1h h GLY 122 N 9.10 0.00 0.86 3.88 0.00 -1.82 -3.49 103.07 111.61 1j1h h GLY 122 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1j1h h GLY 122 CO 0.81 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.52