#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 -2.58 -1.00 3.04 0.00 -1.26 -4.83 120.51 113.88 1j1h n ALA 2 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1j1h n ALA 2 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.75 0.66 -0.34 0.00 -0.04 -1.18 -3.97 135.00 129.38 1j1h n PRO 3 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1j1h n PRO 3 Cb 0.29 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.84 1j1h n PRO 3 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1j1h n VAL 4 N -0.68 0.00 -2.09 0.52 0.24 -1.25 -4.47 118.33 110.61 1j1h n VAL 4 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1j1h n VAL 4 Cb 0.00 -0.29 0.06 0.00 -1.47 0.00 0.00 33.84 32.14 1j1h n VAL 4 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1j1h n LEU 5 N 0.00 0.00 -4.02 1.34 7.99 -1.25 -4.97 117.00 116.09 1j1h n LEU 5 Ca 0.04 -0.79 -0.10 0.00 -0.01 0.00 0.00 56.01 55.15 1j1h n LEU 5 Cb 0.18 -0.31 -0.11 0.00 -0.11 0.00 0.00 43.42 43.06 1j1h n LEU 5 CO 0.12 -0.76 -0.37 -1.61 -1.51 0.00 0.00 177.39 173.25 1j1h s GLU 6 N -3.72 0.42 -1.18 3.23 2.02 -1.26 -4.12 118.70 114.09 1j1h s GLU 6 Ca 0.29 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.33 1j1h s GLU 6 Cb -0.01 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.15 1j1h s GLU 6 CO 0.19 -0.02 1.88 0.54 0.02 0.00 0.00 175.26 177.87 1j1h s ASN 7 N -1.65 5.47 0.08 -0.19 4.22 0.19 -4.72 114.94 118.34 1j1h s ASN 7 Ca -0.12 -1.73 -0.13 0.00 -2.14 0.00 0.00 52.86 48.74 1j1h s ASN 7 Cb -0.08 -2.58 -0.22 0.00 1.28 0.00 0.00 41.25 39.65 1j1h s ASN 7 CO -0.01 -2.60 1.21 -0.09 -2.04 0.00 0.00 177.10 173.57 1j1h h ARG 8 N 9.42 0.69 -0.70 3.55 9.65 -1.78 -2.93 114.38 132.28 1j1h h ARG 8 Ca 0.25 -0.73 -0.05 0.00 -1.10 0.00 0.00 59.98 58.35 1j1h h ARG 8 Cb 0.93 0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 1j1h h ARG 8 CO 1.28 1.31 0.24 -0.09 2.80 0.00 0.00 179.97 185.51 1j1h h ARG 9 N 0.39 1.07 0.08 0.20 2.43 -1.85 0.46 114.38 117.16 1j1h h ARG 9 Ca -0.12 -0.21 -0.30 0.00 -0.81 0.00 0.00 59.98 58.54 1j1h h ARG 9 Cb 1.67 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 1j1h h ARG 9 CO 0.20 0.90 -1.64 0.00 -1.51 0.00 0.00 179.97 177.92 1j1h h ALA 10 N 1.22 0.33 0.00 2.80 0.00 -1.74 0.37 119.26 122.25 1j1h h ALA 10 Ca 0.23 -1.28 -0.09 0.00 0.00 0.00 0.00 54.91 53.77 1j1h h ALA 10 Cb 0.26 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1j1h h ALA 10 CO -0.01 1.01 -0.41 -0.09 0.00 0.00 0.00 179.25 179.75 1j1h h ARG 11 N -0.39 0.00 0.04 0.00 2.43 -1.61 -2.12 114.38 112.74 1j1h h ARG 11 Ca -0.38 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.42 1j1h h ARG 11 Cb 1.72 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.23 1j1h h ARG 11 CO -0.03 0.41 -2.12 1.58 -1.51 0.00 0.00 179.97 178.31 1j1h n HIS 12 N -3.86 0.62 -0.02 2.20 -0.00 0.15 -4.81 115.22 109.49 1j1h n HIS 12 Ca -0.01 0.17 -0.02 0.00 0.46 0.00 0.00 57.72 58.31 1j1h n HIS 12 Cb 0.47 -1.08 -0.04 0.00 -0.12 0.00 0.00 29.99 29.22 1j1h n HIS 12 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1j1h n ASP 13 N -3.70 3.71 -3.95 0.26 8.00 0.74 -5.02 116.55 116.59 1j1h n ASP 13 Ca -0.40 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.01 1j1h n ASP 13 Cb 0.94 0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 42.61 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1j1h s TYR 14 N -2.14 0.25 -0.01 1.24 6.14 0.96 -4.92 117.35 118.86 1j1h s TYR 14 Ca -0.03 -0.58 -0.27 0.00 0.64 0.00 0.00 57.07 56.83 1j1h s TYR 14 Cb 0.02 -0.18 -0.04 0.00 0.42 0.00 0.00 41.96 42.18 1j1h s TYR 14 CO 0.21 -0.36 0.85 -2.00 0.64 0.00 0.00 175.55 174.90 1j1h s GLU 15 N -2.72 4.52 -0.21 4.97 2.12 -1.26 -4.10 118.70 122.01 1j1h s GLU 15 Ca -0.04 1.18 -0.21 0.00 0.36 0.00 0.00 54.97 56.26 1j1h s GLU 15 Cb -0.01 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1j1h s GLU 15 CO -0.05 0.05 0.65 0.42 -0.54 0.00 0.00 175.26 175.79 1j1h s ILE 16 N 0.73 5.00 0.00 -3.70 -1.09 -1.26 -4.46 121.20 116.41 1j1h s ILE 16 Ca 0.45 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 1j1h s ILE 16 Cb -0.20 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1j1h s ILE 16 CO 0.24 0.08 0.51 -0.11 -1.23 0.00 0.00 174.94 174.43 1j1h n LEU 17 N 5.24 0.30 -4.64 2.97 0.00 0.12 -4.86 117.00 116.13 1j1h n LEU 17 Ca -0.01 0.67 -0.31 0.00 0.00 0.00 0.00 56.01 56.36 1j1h n LEU 17 Cb 0.49 -0.38 -0.09 0.00 0.00 0.00 0.00 43.42 43.44 1j1h n LEU 17 CO 0.44 -0.38 -0.36 -0.70 0.00 0.00 0.00 177.39 176.38 1j1h s GLU 18 N -1.78 2.55 0.07 1.96 2.56 -1.24 -4.92 118.70 117.90 1j1h s GLU 18 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 54.97 54.22 1j1h s GLU 18 Cb 0.00 -2.52 -0.04 0.00 2.00 0.00 0.00 34.13 33.57 1j1h s GLU 18 CO 0.00 0.58 -0.07 0.95 -0.56 0.00 0.00 175.26 176.16 1j1h s THR 19 N -1.12 0.58 0.04 -1.70 -4.23 -1.26 -0.69 115.64 107.25 1j1h s THR 19 Ca 0.20 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1j1h s THR 19 Cb -0.11 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 1j1h s THR 19 CO 0.12 -0.71 0.08 -0.72 -0.54 0.00 0.00 174.62 172.85 1j1h s TYR 20 N -2.82 0.24 -0.20 3.99 -0.85 -1.18 -4.36 117.35 112.18 1j1h s TYR 20 Ca 0.03 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.99 1j1h s TYR 20 Cb -0.00 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.17 1j1h s TYR 20 CO -0.03 -0.36 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.52 1j1h s GLU 21 N -2.72 3.20 0.18 -3.49 2.12 -1.26 -1.17 118.70 115.56 1j1h s GLU 21 Ca -0.04 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.63 1j1h s GLU 21 Cb -0.01 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1j1h s GLU 21 CO -0.05 -0.19 0.04 0.00 -0.54 0.00 0.00 175.26 174.53 1j1h s ALA 22 N 1.35 3.32 -0.42 6.30 0.00 -1.13 -4.56 121.76 126.61 1j1h s ALA 22 Ca 0.05 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1j1h s ALA 22 Cb -0.14 -1.10 0.11 0.00 0.00 0.00 0.00 23.12 22.00 1j1h s ALA 22 CO -0.07 0.47 0.19 0.20 0.00 0.00 0.00 175.76 176.54 1j1h s GLY 23 N -3.06 2.07 -0.34 0.00 0.00 -0.42 -2.43 107.32 103.14 1j1h s GLY 23 Ca 0.29 -2.68 -0.14 0.00 0.00 0.00 0.00 44.72 42.19 1j1h s GLY 23 CO 0.20 1.01 0.29 -0.42 0.00 0.00 0.00 173.10 174.18 1j1h s ILE 24 N 0.81 5.24 0.45 0.90 1.09 -0.43 -4.00 121.20 125.26 1j1h s ILE 24 Ca 0.11 -0.07 -0.04 0.00 -1.10 0.00 0.00 60.65 59.55 1j1h s ILE 24 Cb -0.22 -3.74 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1j1h s ILE 24 CO -0.05 -0.02 0.74 0.00 -0.10 0.00 0.00 174.94 175.51 1j1h s ALA 25 N 1.85 3.46 0.15 9.38 0.00 -1.25 -0.91 121.76 134.44 1j1h s ALA 25 Ca 0.09 -0.58 0.11 0.00 0.00 0.00 0.00 51.96 51.58 1j1h s ALA 25 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1j1h s ALA 25 CO 0.11 -0.28 -0.25 -0.48 0.00 0.00 0.00 175.76 174.86 1j1h s LEU 26 N -4.64 2.37 0.00 0.00 2.34 -1.26 -4.93 118.68 112.55 1j1h s LEU 26 Ca 0.46 -0.79 -0.08 0.00 0.06 0.00 0.00 54.13 53.78 1j1h s LEU 26 Cb -0.10 -1.14 0.10 0.00 -0.56 0.00 0.00 46.19 44.49 1j1h s LEU 26 CO 0.43 0.13 0.61 1.17 -1.06 0.00 0.00 176.35 177.63 1j1h n LYS 27 N 0.66 -0.59 -0.18 1.48 3.00 -1.26 -4.68 118.16 116.60 1j1h n LYS 27 Ca -0.16 -0.96 -0.07 0.00 -0.00 0.00 0.00 58.31 57.12 1j1h n LYS 27 Cb 0.54 -0.63 0.02 0.00 0.00 0.00 0.00 35.03 34.97 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1j1h h GLY 28 N -0.80 0.76 1.25 3.14 0.00 -2.00 -2.38 103.07 103.04 1j1h h GLY 28 Ca -0.20 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1j1h h GLY 28 CO 0.14 0.31 -0.40 -1.30 0.00 0.00 0.00 176.54 175.29 1j1h n THR 29 N -4.67 0.05 0.06 4.70 -2.24 -1.26 -3.45 114.28 107.47 1j1h n THR 29 Ca 0.03 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1j1h n THR 29 Cb 0.06 0.03 0.58 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.00 0.20 -0.20 -0.78 4.39 -1.75 0.14 114.58 116.58 1j1h h GLU 30 Ca 0.00 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1j1h h GLU 30 Cb 0.53 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1j1h h GLU 30 CO 0.00 0.13 -0.27 0.28 -1.16 0.00 0.00 179.01 178.00 1j1h h VAL 31 N 0.21 1.26 -0.05 3.13 2.07 -1.60 1.66 116.25 122.93 1j1h h VAL 31 Ca 0.16 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1j1h h VAL 31 Cb 0.38 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1j1h h VAL 31 CO -0.03 0.39 -0.10 0.11 0.02 0.00 0.00 177.57 177.97 1j1h h LYS 32 N 0.35 0.16 -0.12 1.57 1.57 -0.95 -0.50 116.57 118.65 1j1h h LYS 32 Ca 0.05 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1j1h h LYS 32 Cb 0.66 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1j1h h LYS 32 CO 0.05 0.68 -0.56 1.03 -0.57 0.00 0.00 179.45 180.08 1j1h h SER 33 N -0.34 0.39 -0.13 0.86 0.87 -1.28 1.31 113.55 115.23 1j1h h SER 33 Ca 0.00 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1j1h h SER 33 Cb 0.67 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1j1h h SER 33 CO 0.02 0.86 -0.14 0.25 -0.53 0.00 0.00 176.83 177.30 1j1h h LEU 34 N 0.27 0.34 -0.65 2.23 7.12 0.24 4.41 115.31 129.28 1j1h h LEU 34 Ca 0.00 -0.49 -0.05 0.00 0.13 0.00 0.00 57.88 57.47 1j1h h LEU 34 Cb 1.06 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1j1h h LEU 34 CO 0.09 0.76 -0.24 -0.09 -0.13 0.00 0.00 178.44 178.83 1j1h h ARG 35 N -0.07 0.00 -0.38 1.25 2.43 -1.03 -2.69 114.38 113.89 1j1h h ARG 35 Ca 0.02 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1j1h h ARG 35 Cb 0.67 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1j1h h ARG 35 CO 0.03 0.24 0.03 0.00 -1.51 0.00 0.00 179.97 178.77 1j1h n ALA 36 N -2.19 3.81 -2.36 2.80 0.00 0.45 -3.08 120.51 119.94 1j1h n ALA 36 Ca 0.01 -2.68 -0.43 0.00 0.00 0.00 0.00 53.44 50.34 1j1h n ALA 36 Cb 0.52 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.07 1.15 -0.35 0.00 0.00 1.45 -4.73 107.32 102.77 1j1h s GLY 37 Ca 0.45 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.96 1j1h s GLY 37 CO 0.06 2.74 0.21 1.25 0.00 0.00 0.00 173.10 177.36 1j1h s LYS 38 N 4.79 3.24 0.09 2.90 2.47 -1.25 -4.54 119.74 127.45 1j1h s LYS 38 Ca 0.61 -0.80 -0.10 0.00 -1.56 0.00 0.00 55.97 54.11 1j1h s LYS 38 Cb -0.14 -3.73 0.01 0.00 -1.46 0.00 0.00 37.83 32.50 1j1h s LYS 38 CO 0.31 -0.52 0.23 0.54 0.16 0.00 0.00 175.35 176.07 1j1h s VAL 39 N 1.65 0.13 -0.45 4.02 0.11 -1.26 -0.18 120.40 124.41 1j1h s VAL 39 Ca 0.05 -1.04 -0.25 0.00 -2.93 0.00 0.00 61.98 57.80 1j1h s VAL 39 Cb -0.18 -1.27 0.03 0.00 -1.53 0.00 0.00 36.38 33.42 1j1h s VAL 39 CO 0.08 -0.57 0.91 -1.81 -3.33 0.00 0.00 175.10 170.38 1j1h s ASP 40 N -2.79 6.50 -0.39 3.54 1.01 -1.12 -4.94 116.67 118.48 1j1h s ASP 40 Ca 0.04 0.13 -0.15 0.00 0.71 0.00 0.00 52.55 53.28 1j1h s ASP 40 Cb 0.04 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1j1h s ASP 40 CO -0.11 -1.02 0.33 -0.36 0.21 0.00 0.00 175.17 174.22 1j1h s PHE 41 N 3.70 3.22 0.00 4.23 0.40 -1.26 -4.48 117.98 123.78 1j1h s PHE 41 Ca 0.37 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1j1h s PHE 41 Cb -0.10 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1j1h s PHE 41 CO 0.25 -0.56 0.00 -2.37 0.70 0.00 0.00 175.22 173.25 1j1h n THR 42 N 5.22 0.00 -2.57 0.64 5.66 -1.26 -4.45 114.28 117.52 1j1h n THR 42 Ca -0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.81 1j1h n THR 42 Cb 0.48 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.66 -0.50 3.87 1.09 0.00 -1.26 -4.87 105.19 101.86 1j1h n GLY 43 Ca 0.00 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1j1h n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j1h s SER 44 N -2.09 5.21 0.03 1.61 0.15 -1.26 -4.94 113.70 112.41 1j1h s SER 44 Ca 0.04 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 56.03 1j1h s SER 44 Cb -0.02 -0.81 -0.00 0.00 -1.71 0.00 0.00 66.02 63.47 1j1h s SER 44 CO 0.05 -0.48 0.14 -0.36 1.20 0.00 0.00 173.24 173.80 1j1h s PHE 45 N -2.37 0.12 0.05 3.44 0.40 -1.24 -4.40 117.98 113.97 1j1h s PHE 45 Ca 0.44 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1j1h s PHE 45 Cb -0.05 -0.08 -0.02 0.00 0.51 0.00 0.00 43.02 43.37 1j1h s PHE 45 CO 0.27 -0.38 -0.10 0.00 0.70 0.00 0.00 175.22 175.71 1j1h s ALA 46 N -2.43 0.82 0.01 5.36 0.00 -1.15 -0.22 121.76 124.16 1j1h s ALA 46 Ca -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1j1h s ALA 46 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1j1h s ALA 46 CO -0.03 0.08 -0.04 0.50 0.00 0.00 0.00 175.76 176.27 1j1h s ARG 47 N -1.41 2.63 -0.34 0.00 3.52 -0.98 -4.86 118.95 117.50 1j1h s ARG 47 Ca -0.05 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1j1h s ARG 47 Cb -0.09 -2.56 0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1j1h s ARG 47 CO 0.01 0.60 0.09 -0.59 -0.81 0.00 0.00 175.30 174.60 1j1h s PHE 48 N -1.07 3.32 -0.62 5.12 -0.71 -1.26 -2.82 117.98 119.94 1j1h s PHE 48 Ca 0.19 -1.77 -0.01 0.00 -1.04 0.00 0.00 56.93 54.30 1j1h s PHE 48 Cb -0.11 -2.42 0.50 0.00 -1.21 0.00 0.00 43.02 39.77 1j1h s PHE 48 CO 0.10 -0.81 2.01 -1.91 -1.34 0.00 0.00 175.22 173.27 1j1h n GLU 49 N 4.71 2.58 -4.25 1.99 2.13 -0.66 -4.87 120.64 122.27 1j1h n GLU 49 Ca -0.11 -3.21 -0.33 0.00 0.66 0.00 0.00 57.16 54.18 1j1h n GLU 49 Cb 0.43 -2.26 -0.09 0.00 0.27 0.00 0.00 31.44 29.80 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j1h n ASP 50 N -0.96 0.06 0.00 4.31 9.92 -1.26 -3.77 116.55 124.86 1j1h n ASP 50 Ca 0.62 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.69 1j1h n ASP 50 Cb 0.88 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j1h n GLY 51 N -2.02 1.09 3.04 0.44 0.00 -1.26 -4.94 105.19 101.55 1j1h n GLY 51 Ca -0.17 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1j1h n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j1h s GLU 52 N 0.00 1.68 -0.36 1.61 2.56 -1.25 -4.32 118.70 118.62 1j1h s GLU 52 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.97 54.51 1j1h s GLU 52 Cb 0.00 -1.40 0.09 0.00 2.00 0.00 0.00 34.13 34.82 1j1h s GLU 52 CO 0.00 0.07 0.11 -1.17 -0.56 0.00 0.00 175.26 173.71 1j1h s LEU 53 N 0.51 4.73 0.37 2.70 0.20 -1.23 -1.65 118.68 124.30 1j1h s LEU 53 Ca -0.12 -1.83 -0.08 0.00 0.69 0.00 0.00 54.13 52.79 1j1h s LEU 53 Cb -0.14 -1.75 -0.06 0.00 -0.43 0.00 0.00 46.19 43.81 1j1h s LEU 53 CO 0.03 -0.42 0.68 -0.31 -0.29 0.00 0.00 176.35 176.05 1j1h s TYR 54 N 1.12 3.48 0.30 5.38 2.02 -1.13 -2.44 117.35 126.08 1j1h s TYR 54 Ca 0.05 0.86 -0.29 0.00 -0.37 0.00 0.00 57.07 57.31 1j1h s TYR 54 Cb -0.21 -2.29 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 1j1h s TYR 54 CO -0.04 -0.01 1.42 -0.51 -1.57 0.00 0.00 175.55 174.84 1j1h s LEU 55 N -3.82 4.38 0.00 -1.29 1.43 -1.26 -2.32 118.68 115.80 1j1h s LEU 55 Ca 0.48 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.35 1j1h s LEU 55 Cb -0.10 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1j1h s LEU 55 CO 0.32 -0.70 0.00 1.21 0.23 0.00 0.00 176.35 177.41 1j1h n GLU 56 N 1.54 2.51 0.00 1.70 2.13 0.69 -4.59 120.64 124.63 1j1h n GLU 56 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1j1h n GLU 56 Cb 0.40 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1j1h n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j1h n ASN 57 N -1.47 0.12 -4.55 4.31 4.05 0.06 -4.79 115.26 112.99 1j1h n ASN 57 Ca 0.00 -0.56 -0.38 0.00 0.45 0.00 0.00 54.58 54.08 1j1h n ASN 57 Cb 0.25 0.12 -0.03 0.00 1.23 0.00 0.00 39.78 41.35 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1j1h s LEU 58 N -0.24 3.29 -0.18 1.20 1.43 -1.26 -4.60 118.68 118.34 1j1h s LEU 58 Ca 0.00 0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 1j1h s LEU 58 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 1j1h s LEU 58 CO 0.00 -2.40 0.51 -0.31 0.23 0.00 0.00 176.35 174.38 1j1h s TYR 59 N 9.21 3.41 -0.48 0.29 1.51 -1.26 -4.88 117.35 125.15 1j1h s TYR 59 Ca 0.69 0.81 -0.22 0.00 -1.01 0.00 0.00 57.07 57.34 1j1h s TYR 59 Cb -0.13 -2.65 0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1j1h s TYR 59 CO 0.21 -0.04 0.72 0.42 -1.11 0.00 0.00 175.55 175.75 1j1h s ILE 60 N 1.40 4.72 -0.47 2.71 1.09 -1.26 -2.80 121.20 126.59 1j1h s ILE 60 Ca 0.25 0.08 -0.11 0.00 -1.10 0.00 0.00 60.65 59.77 1j1h s ILE 60 Cb -0.15 -4.31 0.11 0.00 -1.06 0.00 0.00 42.46 37.04 1j1h s ILE 60 CO 0.10 -0.76 0.35 0.00 -0.10 0.00 0.00 174.94 174.53 1j1h s ALA 61 N 3.09 3.43 0.00 9.38 0.00 0.75 -4.27 121.76 134.13 1j1h s ALA 61 Ca 0.24 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.80 1j1h s ALA 61 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1j1h s ALA 61 CO 0.18 -1.84 0.00 -0.35 0.00 0.00 0.00 175.76 173.76 1j1h n PRO 62 N 5.00 0.00 0.00 0.00 -0.04 -1.25 -3.77 135.00 134.93 1j1h n PRO 62 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1j1h n PRO 62 Cb 0.41 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1j1h n PRO 62 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j1h n TYR 63 N -0.02 0.00 -3.65 0.54 4.01 -1.26 -4.74 117.16 112.04 1j1h n TYR 63 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1j1h n TYR 63 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.86 1j1h n TYR 63 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1j1h s GLU 64 N 0.00 -0.01 -0.10 -0.72 0.41 -1.26 -4.99 118.70 112.03 1j1h s GLU 64 Ca 0.00 0.31 0.15 0.00 -0.41 0.00 0.00 54.97 55.02 1j1h s GLU 64 Cb 0.00 -0.78 0.52 0.00 -1.78 0.00 0.00 34.13 32.09 1j1h s GLU 64 CO 0.00 -0.42 1.44 0.36 -0.49 0.00 0.00 175.26 176.15 1j1h n LYS 65 N 5.30 3.20 0.13 1.61 2.85 -1.26 -4.39 118.16 125.60 1j1h n LYS 65 Ca -0.04 -2.60 0.12 0.00 -1.05 0.00 0.00 58.31 54.74 1j1h n LYS 65 Cb 0.50 -1.67 0.25 0.00 -0.65 0.00 0.00 35.03 33.45 1j1h n LYS 65 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1j1h h GLY 66 N 2.62 0.00 -3.18 2.58 0.00 -2.00 -3.45 103.07 99.64 1j1h h GLY 66 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1j1h h GLY 66 CO 0.16 0.00 0.47 -1.35 0.00 0.00 0.00 176.54 175.82 1j1h s SER 67 N -5.01 6.78 0.30 0.19 1.04 -1.26 -5.04 113.70 110.69 1j1h s SER 67 Ca 0.08 2.23 0.08 0.00 0.48 0.00 0.00 55.95 58.81 1j1h s SER 67 Cb 0.10 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1j1h s SER 67 CO 0.66 -0.49 0.22 -0.31 0.98 0.00 0.00 173.24 174.30 1j1h s TYR 68 N -1.43 2.95 -0.14 5.02 2.02 -1.26 -4.87 117.35 119.64 1j1h s TYR 68 Ca 0.54 -0.23 -0.08 0.00 -0.37 0.00 0.00 57.07 56.93 1j1h s TYR 68 Cb -0.28 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1j1h s TYR 68 CO 0.36 0.37 0.16 0.00 -1.57 0.00 0.00 175.55 174.86 1j1h n ALA 69 N -1.24 -2.88 -1.19 3.71 0.00 -1.26 -4.76 120.51 112.89 1j1h n ALA 69 Ca -0.05 1.59 0.13 0.00 0.00 0.00 0.00 53.44 55.12 1j1h n ALA 69 Cb 0.59 -3.27 -0.03 0.00 0.00 0.00 0.00 19.45 16.74 1j1h n ALA 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j1h n ASN 70 N 1.89 -7.07 -4.29 0.00 5.03 -1.26 -4.83 115.26 104.74 1j1h n ASN 70 Ca -0.27 1.03 -0.31 0.00 0.87 0.00 0.00 54.58 55.89 1j1h n ASN 70 Cb 0.44 -2.89 -0.16 0.00 -1.02 0.00 0.00 39.78 36.15 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1j1h s VAL 71 N -1.54 2.11 -0.37 2.41 -7.23 -1.26 -4.90 120.40 109.61 1j1h s VAL 71 Ca 0.00 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1j1h s VAL 71 Cb 0.00 -1.76 0.11 0.00 0.56 0.00 0.00 36.38 35.29 1j1h s VAL 71 CO 0.00 0.57 0.09 -1.81 -0.31 0.00 0.00 175.10 173.65 1j1h s ASP 72 N -0.26 4.65 1.01 4.85 1.01 -1.26 -5.10 116.67 121.57 1j1h s ASP 72 Ca -0.01 -2.31 -0.03 0.00 0.71 0.00 0.00 52.55 50.91 1j1h s ASP 72 Cb -0.13 -1.60 0.04 0.00 1.01 0.00 0.00 42.92 42.24 1j1h s ASP 72 CO 0.03 -0.35 0.20 -0.81 0.21 0.00 0.00 175.17 174.45 1j1h n PRO 73 N 4.04 -0.47 0.33 8.23 -0.04 -1.26 -4.88 135.00 140.95 1j1h n PRO 73 Ca 0.04 -0.31 0.20 0.00 -0.04 0.00 0.00 63.50 63.39 1j1h n PRO 73 Cb 0.40 -0.22 1.06 0.00 -0.04 0.00 0.00 33.50 34.69 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 -1.58 0.54 9.65 -2.00 -3.44 114.38 117.55 1j1h h ARG 74 Ca -0.07 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.47 1j1h h ARG 74 Cb 0.19 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.69 1j1h h ARG 74 CO 0.05 0.00 -0.37 0.54 2.80 0.00 0.00 179.97 182.99 1j1h n ARG 75 N -2.98 -1.25 -2.22 0.20 5.12 -1.26 -4.88 116.66 109.38 1j1h n ARG 75 Ca -0.03 0.96 -0.34 0.00 -1.93 0.00 0.00 57.85 56.51 1j1h n ARG 75 Cb 0.18 -5.28 -0.04 0.00 -1.16 0.00 0.00 32.46 26.16 1j1h n ARG 75 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1j1h s LYS 76 N -4.12 2.88 -0.25 5.56 2.47 -1.26 -4.88 119.74 120.15 1j1h s LYS 76 Ca 0.00 -0.25 -0.02 0.00 -1.56 0.00 0.00 55.97 54.14 1j1h s LYS 76 Cb 0.00 -4.86 0.13 0.00 -1.46 0.00 0.00 37.83 31.64 1j1h s LYS 76 CO 0.00 -2.81 0.33 -0.98 0.16 0.00 0.00 175.35 172.05 1j1h s ARG 77 N 6.41 0.31 0.00 4.03 1.04 -1.26 -4.75 118.95 124.73 1j1h s ARG 77 Ca 0.60 0.31 0.00 0.00 -1.04 0.00 0.00 55.73 55.60 1j1h s ARG 77 Cb -0.07 -0.66 0.00 0.00 -2.04 0.00 0.00 34.95 32.18 1j1h s ARG 77 CO 0.04 -0.75 0.00 0.36 -0.04 0.00 0.00 175.30 174.92 1j1h n LYS 78 N 5.34 0.00 -1.43 3.89 2.85 -1.26 -4.19 118.16 123.37 1j1h n LYS 78 Ca -0.03 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.88 1j1h n LYS 78 Cb 0.49 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.97 1j1h n LYS 78 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j1h s LEU 79 N 0.00 3.33 -0.18 -5.58 1.43 -1.02 -4.75 118.68 111.91 1j1h s LEU 79 Ca 0.00 2.42 -0.05 0.00 -1.03 0.00 0.00 54.13 55.47 1j1h s LEU 79 Cb 0.00 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 1j1h s LEU 79 CO 0.00 -2.30 -0.00 -0.22 0.23 0.00 0.00 176.35 174.06 1j1h s LEU 80 N -5.10 3.33 -0.10 1.79 0.20 -1.26 -3.58 118.68 113.97 1j1h s LEU 80 Ca 0.76 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 55.48 1j1h s LEU 80 Cb -0.31 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.62 1j1h s LEU 80 CO 0.45 0.11 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.62 1j1h s LEU 81 N 0.72 2.08 0.20 -0.68 1.43 -1.26 -1.31 118.68 119.85 1j1h s LEU 81 Ca -0.00 -0.55 -0.32 0.00 -1.03 0.00 0.00 54.13 52.22 1j1h s LEU 81 Cb -0.14 -1.39 -0.15 0.00 0.03 0.00 0.00 46.19 44.54 1j1h s LEU 81 CO 0.02 0.16 1.31 1.41 0.23 0.00 0.00 176.35 179.48 1j1h n HIS 82 N 3.49 1.75 -0.02 0.29 8.25 -1.26 -4.63 115.22 123.08 1j1h n HIS 82 Ca -0.19 0.54 0.08 0.00 -0.26 0.00 0.00 57.72 57.90 1j1h n HIS 82 Cb 0.53 -2.38 0.49 0.00 1.12 0.00 0.00 29.99 29.75 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 3.97 0.41 -0.92 -0.41 3.11 -1.92 -1.16 116.57 119.64 1j1h h LYS 83 Ca -0.44 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.44 1j1h h LYS 83 Cb 1.31 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.38 1j1h h LYS 83 CO 0.74 0.27 0.60 0.45 -2.81 0.00 0.00 179.45 178.70 1j1h h HIS 84 N 0.42 1.06 -0.10 1.91 3.86 -1.95 -1.93 115.15 118.43 1j1h h HIS 84 Ca 0.20 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.25 1j1h h HIS 84 Cb 0.26 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 1j1h h HIS 84 CO -0.00 0.55 -0.73 0.93 0.86 0.00 0.00 177.93 179.54 1j1h h GLU 85 N 1.04 0.48 -0.12 2.45 4.39 -1.55 -3.27 114.58 117.99 1j1h h GLU 85 Ca 0.40 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1j1h h GLU 85 Cb 0.22 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1j1h h GLU 85 CO -0.16 1.02 0.07 1.25 -1.16 0.00 0.00 179.01 180.04 1j1h h LEU 86 N 0.33 0.13 -0.58 1.33 6.46 -0.89 -3.13 115.31 118.95 1j1h h LEU 86 Ca -0.03 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 1j1h h LEU 86 Cb 1.31 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 1j1h h LEU 86 CO 0.13 0.09 -0.68 -0.09 -0.62 0.00 0.00 178.44 177.28 1j1h h ARG 87 N 0.15 0.16 -0.12 1.25 1.12 -1.66 -3.27 114.38 112.02 1j1h h ARG 87 Ca 0.04 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 58.75 1j1h h ARG 87 Cb -0.01 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1j1h h ARG 87 CO -0.01 0.77 -0.06 0.00 -3.11 0.00 0.00 179.97 177.56 1j1h h ARG 88 N 0.11 0.25 -0.03 0.20 2.47 -1.60 -2.81 114.38 112.98 1j1h h ARG 88 Ca -0.01 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.47 1j1h h ARG 88 Cb 1.21 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1j1h h ARG 88 CO 0.10 0.60 -0.45 1.25 0.56 0.00 0.00 179.97 182.03 1j1h h LEU 89 N -0.10 0.45 -1.57 3.04 7.12 -1.69 -3.27 115.31 119.29 1j1h h LEU 89 Ca 0.03 -0.72 -0.03 0.00 0.13 0.00 0.00 57.88 57.29 1j1h h LEU 89 Cb 0.53 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1j1h h LEU 89 CO 0.02 1.10 -0.05 0.25 -0.13 0.00 0.00 178.44 179.63 1j1h h LEU 90 N -0.16 0.19 -2.50 2.25 7.12 -1.69 -2.91 115.31 117.61 1j1h h LEU 90 Ca -0.05 -0.03 0.02 0.00 0.13 0.00 0.00 57.88 57.95 1j1h h LEU 90 Cb 1.14 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1j1h h LEU 90 CO 0.09 0.28 0.13 1.23 -0.13 0.00 0.00 178.44 180.04 1j1h h GLY 91 N 0.55 0.00 0.94 3.75 0.00 -1.55 -2.66 103.07 104.10 1j1h h GLY 91 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 1j1h h GLY 91 CO 0.01 0.00 -1.75 0.50 0.00 0.00 0.00 176.54 175.30 1j1h h LYS 92 N 0.00 0.26 -0.32 4.80 1.79 -1.70 -3.35 116.57 118.04 1j1h h LYS 92 Ca 0.03 -0.44 -0.04 0.00 -2.18 0.00 0.00 60.65 58.01 1j1h h LYS 92 Cb 0.29 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1j1h h LYS 92 CO -0.00 1.12 0.02 -0.39 -1.08 0.00 0.00 179.45 179.11 1j1h h VAL 93 N 0.07 1.18 0.00 0.50 -1.51 -1.62 -2.52 116.25 112.35 1j1h h VAL 93 Ca -0.33 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1j1h h VAL 93 Cb 2.04 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1j1h h VAL 93 CO 0.13 0.25 0.20 -0.08 -1.23 0.00 0.00 177.57 176.85 1j1h h GLU 94 N 0.48 0.00 0.00 5.19 4.22 -1.66 -3.29 114.58 119.52 1j1h h GLU 94 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1j1h h GLU 94 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1j1h h GLU 94 CO 0.01 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.88 1j1h n GLN 95 N -2.77 0.00 0.00 1.92 1.13 -0.95 -4.92 117.38 111.80 1j1h n GLN 95 Ca -0.02 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1j1h n GLN 95 Cb 0.25 -0.65 0.00 0.00 0.11 0.00 0.00 30.24 29.95 1j1h n GLN 95 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1j1h n LYS 96 N -0.26 0.00 0.00 -1.09 2.85 -1.24 -4.97 118.16 113.46 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j1h n GLY 97 N 0.00 1.07 3.53 2.58 0.00 -1.26 -4.73 105.19 106.37 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 2.83 0.24 0.99 1.02 -1.26 -2.08 118.68 120.43 1j1h s LEU 98 Ca 0.00 -0.64 0.11 0.00 0.02 0.00 0.00 54.13 53.61 1j1h s LEU 98 Cb 0.00 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.62 1j1h s LEU 98 CO 0.00 0.11 -0.19 0.42 0.02 0.00 0.00 176.35 176.71 1j1h s THR 99 N -1.65 2.21 -0.15 5.49 -4.23 -1.01 -4.82 115.64 111.49 1j1h s THR 99 Ca 0.23 -2.27 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1j1h s THR 99 Cb -0.09 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1j1h s THR 99 CO 0.14 -0.41 -0.21 -1.48 -0.54 0.00 0.00 174.62 172.12 1j1h s LEU 100 N -3.28 2.07 -0.04 4.79 0.05 -1.26 -2.59 118.68 118.43 1j1h s LEU 100 Ca 0.26 -0.60 -0.08 0.00 0.05 0.00 0.00 54.13 53.76 1j1h s LEU 100 Cb -0.04 -1.42 0.01 0.00 -2.05 0.00 0.00 46.19 42.69 1j1h s LEU 100 CO 0.12 0.06 0.19 0.54 -0.55 0.00 0.00 176.35 176.70 1j1h s VAL 101 N 0.94 0.04 -1.27 1.48 0.11 -1.25 -2.91 120.40 117.54 1j1h s VAL 101 Ca -0.04 -0.35 -0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1j1h s VAL 101 Cb -0.15 -0.39 -0.08 0.00 -1.53 0.00 0.00 36.38 34.23 1j1h s VAL 101 CO -0.04 -0.19 2.97 -0.81 -3.33 0.00 0.00 175.10 173.70 1j1h n PRO 102 N 2.12 3.53 -0.31 1.54 -0.04 -1.26 -1.14 135.00 139.44 1j1h n PRO 102 Ca -0.18 -2.22 0.28 0.00 -0.04 0.00 0.00 63.50 61.33 1j1h n PRO 102 Cb 0.57 -2.62 0.48 0.00 -0.04 0.00 0.00 33.50 31.89 1j1h n PRO 102 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1j1h n LEU 103 N 2.99 0.18 -3.86 1.53 -0.00 -0.15 -4.07 117.00 113.62 1j1h n LEU 103 Ca 0.69 1.07 -0.24 0.00 -0.00 0.00 0.00 56.01 57.54 1j1h n LEU 103 Cb 0.36 -0.52 -0.17 0.00 -0.00 0.00 0.00 43.42 43.08 1j1h n LEU 103 CO 0.69 -1.17 -0.41 -0.75 -0.00 0.00 0.00 177.39 175.75 1j1h s LYS 104 N -4.89 1.01 0.00 1.47 2.20 -0.98 0.55 119.74 119.10 1j1h s LYS 104 Ca -0.06 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1j1h s LYS 104 Cb 0.23 -1.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.36 1j1h s LYS 104 CO 0.59 -0.22 -0.07 0.42 -0.36 0.00 0.00 175.35 175.71 1j1h s ILE 105 N 1.57 3.61 0.19 5.43 1.01 -1.26 0.07 121.20 131.82 1j1h s ILE 105 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1j1h s ILE 105 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1j1h s ILE 105 CO -0.04 0.39 -0.07 -0.47 0.00 0.00 0.00 174.94 174.75 1j1h s TYR 106 N -0.99 1.44 0.05 3.97 5.04 0.36 -3.95 117.35 123.26 1j1h s TYR 106 Ca 0.17 -0.80 0.02 0.00 -2.44 0.00 0.00 57.07 54.02 1j1h s TYR 106 Cb -0.11 -0.77 -0.03 0.00 0.35 0.00 0.00 41.96 41.40 1j1h s TYR 106 CO 0.07 0.07 -0.07 -0.59 -1.34 0.00 0.00 175.55 173.70 1j1h s PHE 107 N -3.32 0.66 -0.24 4.97 -0.12 -1.26 -1.64 117.98 117.03 1j1h s PHE 107 Ca 0.22 -0.63 -0.26 0.00 -0.05 0.00 0.00 56.93 56.21 1j1h s PHE 107 Cb 0.03 -0.40 0.08 0.00 -0.63 0.00 0.00 43.02 42.10 1j1h s PHE 107 CO 0.04 -0.13 0.77 -0.80 -0.05 0.00 0.00 175.22 175.05 1j1h s ASN 108 N -1.97 -0.68 0.00 1.98 -0.87 0.22 -4.83 114.94 108.79 1j1h s ASN 108 Ca -0.05 1.23 0.09 0.00 -1.57 0.00 0.00 52.86 52.57 1j1h s ASN 108 Cb -0.06 1.22 0.42 0.00 -0.02 0.00 0.00 41.25 42.82 1j1h s ASN 108 CO -0.02 -0.29 1.27 -1.84 -2.57 0.00 0.00 177.10 173.65 1j1h n GLU 109 N 2.31 0.04 -0.07 -0.60 0.28 -1.26 -2.32 120.64 119.03 1j1h n GLU 109 Ca -0.14 0.30 0.01 0.00 -0.16 0.00 0.00 57.16 57.16 1j1h n GLU 109 Cb 0.55 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.96 1j1h n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1j1h n ARG 110 N -1.44 1.30 -2.01 3.44 0.00 -1.26 -4.74 116.66 111.95 1j1h n ARG 110 Ca 0.03 -0.26 -0.07 0.00 -0.00 0.00 0.00 57.85 57.55 1j1h n ARG 110 Cb 0.10 -1.47 -0.01 0.00 0.00 0.00 0.00 32.46 31.08 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j1h n GLY 111 N 0.16 0.19 2.84 5.14 0.00 -0.98 -4.97 105.19 107.56 1j1h n GLY 111 Ca 0.02 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.34 2.09 -0.15 1.61 2.02 -1.04 -3.87 117.35 115.68 1j1h s TYR 112 Ca 0.00 -1.77 0.01 0.00 -0.37 0.00 0.00 57.07 54.95 1j1h s TYR 112 Cb 0.00 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1j1h s TYR 112 CO 0.00 -0.81 -0.18 0.00 -1.57 0.00 0.00 175.55 172.99 1j1h s ALA 113 N 1.49 2.05 -0.16 3.71 0.00 -0.09 -0.61 121.76 128.16 1j1h s ALA 113 Ca 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1j1h s ALA 113 Cb -0.18 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1j1h s ALA 113 CO -0.14 -0.23 0.15 0.21 0.00 0.00 0.00 175.76 175.75 1j1h s LYS 114 N 1.18 3.87 0.15 0.00 2.20 -0.65 -1.32 119.74 125.17 1j1h s LYS 114 Ca -0.00 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.53 1j1h s LYS 114 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1j1h s LYS 114 CO -0.08 0.51 -0.02 0.08 -0.36 0.00 0.00 175.35 175.48 1j1h s VAL 115 N -0.27 3.66 -0.04 4.02 1.01 -1.02 0.13 120.40 127.90 1j1h s VAL 115 Ca 0.12 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.75 1j1h s VAL 115 Cb -0.12 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1j1h s VAL 115 CO 0.01 -0.05 -0.11 -0.22 0.00 0.00 0.00 175.10 174.73 1j1h s LEU 116 N -2.75 1.72 -0.17 3.92 2.96 0.11 -2.82 118.68 121.64 1j1h s LEU 116 Ca 0.26 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1j1h s LEU 116 Cb -0.10 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1j1h s LEU 116 CO 0.18 0.06 -0.02 -0.22 -1.32 0.00 0.00 176.35 175.03 1j1h s LEU 117 N 0.38 3.29 -0.25 -0.68 1.98 -0.31 -0.98 118.68 122.09 1j1h s LEU 117 Ca -0.07 -0.14 0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1j1h s LEU 117 Cb -0.12 -1.81 0.05 0.00 0.66 0.00 0.00 46.19 44.98 1j1h s LEU 117 CO 0.02 0.13 -0.11 -0.83 -1.89 0.00 0.00 176.35 173.67 1j1h s GLY 118 N 0.61 1.63 -0.08 7.98 0.00 -0.29 -3.07 107.32 114.09 1j1h s GLY 118 Ca -0.01 -1.69 -0.25 0.00 0.00 0.00 0.00 44.72 42.76 1j1h s GLY 118 CO 0.02 0.57 0.80 -2.27 0.00 0.00 0.00 173.10 172.22 1j1h s LEU 119 N 1.14 4.29 -0.13 0.66 2.96 0.13 -3.89 118.68 123.85 1j1h s LEU 119 Ca -0.07 1.29 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1j1h s LEU 119 Cb -0.19 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1j1h s LEU 119 CO -0.06 -0.22 -0.11 0.00 -1.32 0.00 0.00 176.35 174.65 1j1h s ALA 120 N 1.19 2.73 -0.43 5.97 0.00 -1.07 0.10 121.76 130.27 1j1h s ALA 120 Ca 0.41 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1j1h s ALA 120 Cb -0.18 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.69 1j1h s ALA 120 CO 0.19 0.28 0.45 -0.98 0.00 0.00 0.00 175.76 175.70 1j1h s ARG 121 N 0.20 3.10 0.15 0.00 1.70 -1.26 -2.39 118.95 120.44 1j1h s ARG 121 Ca -0.06 -0.77 0.19 0.00 -0.47 0.00 0.00 55.73 54.62 1j1h s ARG 121 Cb -0.15 -3.98 -0.05 0.00 -0.57 0.00 0.00 34.95 30.21 1j1h s ARG 121 CO 0.04 -0.88 0.98 0.78 -1.08 0.00 0.00 175.30 175.15 1j1h h GLY 122 N 9.09 0.00 0.00 3.88 0.00 -1.79 -3.49 103.07 110.77 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