#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h s ALA 2 N 0.00 3.48 0.28 3.17 0.00 -1.26 -5.04 121.76 122.39 1j1h s ALA 2 Ca 0.00 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 1j1h s ALA 2 Cb 0.00 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 1j1h s ALA 2 CO 0.00 0.34 0.96 -1.25 0.00 0.00 0.00 175.76 175.81 1j1h s PRO 3 N -1.44 4.71 0.00 0.00 0.04 -1.24 -4.13 135.00 132.93 1j1h s PRO 3 Ca 0.36 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1j1h s PRO 3 Cb -0.20 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1j1h s PRO 3 CO 0.22 0.38 0.00 1.33 0.04 0.00 0.00 177.00 178.97 1j1h n VAL 4 N 1.03 0.00 -3.76 -0.36 0.24 0.19 -4.82 118.33 110.85 1j1h n VAL 4 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1j1h n VAL 4 Cb 0.48 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.85 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 -4.04 1.34 4.77 -0.69 -4.61 117.00 113.76 1j1h n LEU 5 Ca 0.00 -1.25 -0.10 0.00 -0.03 0.00 0.00 56.01 54.63 1j1h n LEU 5 Cb 0.00 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1j1h n LEU 5 CO 0.00 -0.37 -0.37 -1.83 -1.33 0.00 0.00 177.39 173.49 1j1h s GLU 6 N -2.94 0.48 -1.18 3.23 -1.05 -1.26 -4.40 118.70 111.58 1j1h s GLU 6 Ca 0.11 -0.84 -0.11 0.00 -0.15 0.00 0.00 54.97 53.98 1j1h s GLU 6 Cb -0.01 -0.02 0.22 0.00 -0.44 0.00 0.00 34.13 33.88 1j1h s GLU 6 CO 0.07 -0.03 1.42 0.27 0.95 0.00 0.00 175.26 177.94 1j1h n ASN 7 N 1.11 5.41 0.06 0.83 6.94 0.22 -4.50 115.26 125.33 1j1h n ASN 7 Ca -0.21 -3.06 -0.21 0.00 -0.02 0.00 0.00 54.58 51.09 1j1h n ASN 7 Cb 0.57 -1.47 -0.14 0.00 -2.36 0.00 0.00 39.78 36.38 1j1h n ASN 7 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1j1h h ARG 8 N 6.61 0.42 -0.92 -3.83 2.43 -1.78 -3.29 114.38 114.02 1j1h h ARG 8 Ca 0.28 -0.62 0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1j1h h ARG 8 Cb 0.81 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1j1h h ARG 8 CO 1.25 1.27 0.61 -0.09 -1.51 0.00 0.00 179.97 181.49 1j1h h ARG 9 N -0.13 1.13 0.10 0.20 2.43 -1.88 0.12 114.38 116.34 1j1h h ARG 9 Ca -0.15 -0.07 -0.31 0.00 -0.81 0.00 0.00 59.98 58.64 1j1h h ARG 9 Cb 1.70 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 1j1h h ARG 9 CO 0.18 0.74 -1.63 0.00 -1.51 0.00 0.00 179.97 177.75 1j1h h ALA 10 N 1.46 0.30 0.00 2.80 0.00 -1.74 0.24 119.26 122.33 1j1h h ALA 10 Ca 0.37 -1.24 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 1j1h h ALA 10 Cb 0.01 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j1h h ALA 10 CO -0.11 1.00 -0.41 -0.09 0.00 0.00 0.00 179.25 179.65 1j1h h ARG 11 N -0.30 0.00 0.04 0.00 9.65 -1.62 -2.34 114.38 119.81 1j1h h ARG 11 Ca -0.37 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.15 1j1h h ARG 11 Cb 1.78 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 30.31 1j1h h ARG 11 CO 0.01 0.41 -2.12 0.72 2.80 0.00 0.00 179.97 181.79 1j1h n HIS 12 N -3.85 0.62 -0.03 2.20 8.25 0.03 -4.82 115.22 117.62 1j1h n HIS 12 Ca -0.01 0.17 -0.03 0.00 -0.26 0.00 0.00 57.72 57.59 1j1h n HIS 12 Cb 0.46 -1.08 -0.04 0.00 1.12 0.00 0.00 29.99 30.46 1j1h n HIS 12 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1j1h n ASP 13 N -3.70 3.70 -3.85 0.41 8.00 0.56 -5.04 116.55 116.64 1j1h n ASP 13 Ca -0.40 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 54.99 1j1h n ASP 13 Cb 0.94 0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 42.56 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 -2.13 0.05 -0.06 1.24 6.14 0.45 -4.93 117.35 118.11 1j1h s TYR 14 Ca -0.03 -0.26 -0.26 0.00 0.64 0.00 0.00 57.07 57.16 1j1h s TYR 14 Cb 0.02 -0.03 -0.03 0.00 0.42 0.00 0.00 41.96 42.33 1j1h s TYR 14 CO 0.21 -0.42 0.83 -2.00 0.64 0.00 0.00 175.55 174.81 1j1h s GLU 15 N -2.48 4.45 -0.21 4.97 2.12 -1.26 -4.21 118.70 122.09 1j1h s GLU 15 Ca -0.06 1.10 -0.26 0.00 0.36 0.00 0.00 54.97 56.12 1j1h s GLU 15 Cb -0.01 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1j1h s GLU 15 CO -0.03 -0.06 0.86 0.42 -0.54 0.00 0.00 175.26 175.91 1j1h s ILE 16 N 1.15 4.83 -0.08 -3.70 -1.09 -1.26 -4.47 121.20 116.57 1j1h s ILE 16 Ca 0.43 1.67 -0.21 0.00 -2.23 0.00 0.00 60.65 60.31 1j1h s ILE 16 Cb -0.19 -4.16 -0.17 0.00 -1.58 0.00 0.00 42.46 36.37 1j1h s ILE 16 CO 0.20 -0.04 0.74 0.25 -1.23 0.00 0.00 174.94 174.86 1j1h h LEU 17 N 8.84 -0.08 -8.94 2.97 5.85 -0.43 -3.46 115.31 120.06 1j1h h LEU 17 Ca -0.25 -0.53 -0.69 0.00 0.84 0.00 0.00 57.88 57.26 1j1h h LEU 17 Cb 1.11 0.02 -0.22 0.00 0.37 0.00 0.00 40.66 41.94 1j1h h LEU 17 CO 0.87 0.61 -0.84 -0.70 -0.34 0.00 0.00 178.44 178.03 1j1h s GLU 18 N -2.82 1.65 0.04 1.25 2.56 -1.17 -4.93 118.70 115.28 1j1h s GLU 18 Ca -0.13 -1.22 0.01 0.00 0.00 0.00 0.00 54.97 53.63 1j1h s GLU 18 Cb -0.01 -2.01 -0.03 0.00 2.00 0.00 0.00 34.13 34.09 1j1h s GLU 18 CO 0.49 0.48 -0.06 0.95 -0.56 0.00 0.00 175.26 176.56 1j1h s THR 19 N -1.02 0.43 0.11 -1.70 -4.23 -1.25 -0.98 115.64 106.99 1j1h s THR 19 Ca 0.15 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1j1h s THR 19 Cb -0.10 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1j1h s THR 19 CO 0.06 -0.52 -0.09 -0.72 -0.54 0.00 0.00 174.62 172.81 1j1h s TYR 20 N -1.88 1.05 -0.31 3.99 -0.85 -1.19 -4.56 117.35 113.61 1j1h s TYR 20 Ca -0.07 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1j1h s TYR 20 Cb -0.07 -0.57 0.07 0.00 0.38 0.00 0.00 41.96 41.78 1j1h s TYR 20 CO -0.01 -0.02 -0.00 -2.00 -1.52 0.00 0.00 175.55 171.99 1j1h s GLU 21 N -3.25 2.06 0.36 -3.49 2.56 -1.26 -1.86 118.70 113.81 1j1h s GLU 21 Ca 0.09 -1.52 0.08 0.00 0.00 0.00 0.00 54.97 53.62 1j1h s GLU 21 Cb 0.00 -3.13 -0.04 0.00 2.00 0.00 0.00 34.13 32.97 1j1h s GLU 21 CO -0.01 -0.74 0.20 0.00 -0.56 0.00 0.00 175.26 174.15 1j1h s ALA 22 N 1.09 3.64 -0.27 6.30 0.00 -0.56 -4.62 121.76 127.34 1j1h s ALA 22 Ca -0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 50.12 1j1h s ALA 22 Cb -0.20 -0.82 0.08 0.00 0.00 0.00 0.00 23.12 22.18 1j1h s ALA 22 CO -0.05 -0.02 0.03 0.20 0.00 0.00 0.00 175.76 175.92 1j1h s GLY 23 N -3.92 1.19 -0.33 0.00 0.00 -0.56 -1.47 107.32 102.23 1j1h s GLY 23 Ca 0.40 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1j1h s GLY 23 CO 0.24 1.27 0.34 -0.42 0.00 0.00 0.00 173.10 174.53 1j1h s ILE 24 N 1.50 5.19 0.14 0.90 1.09 -0.51 -3.92 121.20 125.59 1j1h s ILE 24 Ca 0.03 0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 59.65 1j1h s ILE 24 Cb -0.18 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1j1h s ILE 24 CO -0.14 -0.04 0.33 0.00 -0.10 0.00 0.00 174.94 174.99 1j1h s ALA 25 N 1.98 3.89 0.25 9.38 0.00 -1.26 -1.42 121.76 134.57 1j1h s ALA 25 Ca 0.11 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1j1h s ALA 25 Cb -0.17 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1j1h s ALA 25 CO 0.11 0.61 -0.14 -0.48 0.00 0.00 0.00 175.76 175.86 1j1h s LEU 26 N -2.94 2.77 0.00 0.00 -0.00 -1.26 -5.00 118.68 112.25 1j1h s LEU 26 Ca 0.38 -0.84 -0.05 0.00 -0.00 0.00 0.00 54.13 53.61 1j1h s LEU 26 Cb -0.12 -1.35 0.08 0.00 -0.00 0.00 0.00 46.19 44.80 1j1h s LEU 26 CO 0.28 0.05 0.36 1.17 -0.00 0.00 0.00 176.35 178.21 1j1h n LYS 27 N -0.45 -0.90 -0.01 1.48 4.81 -1.26 -4.66 118.16 117.16 1j1h n LYS 27 Ca -0.07 -0.57 -0.10 0.00 -0.87 0.00 0.00 58.31 56.70 1j1h n LYS 27 Cb 0.58 -0.44 -0.04 0.00 0.02 0.00 0.00 35.03 35.16 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 -0.78 0.12 0.93 3.14 0.00 -2.01 -2.76 103.07 101.71 1j1h h GLY 28 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1j1h h GLY 28 CO 0.09 -0.03 -0.64 -1.30 0.00 0.00 0.00 176.54 174.65 1j1h n THR 29 N -5.13 0.12 0.07 4.70 -2.24 -1.26 -3.76 114.28 106.78 1j1h n THR 29 Ca -0.04 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1j1h n THR 29 Cb 0.08 0.18 0.61 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.12 -0.09 -0.78 4.39 -1.81 0.73 114.58 117.14 1j1h h GLU 30 Ca 0.00 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1j1h h GLU 30 Cb 0.60 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1j1h h GLU 30 CO 0.00 0.08 -0.50 0.28 -1.16 0.00 0.00 179.01 177.72 1j1h h VAL 31 N 0.13 1.35 -0.07 3.13 2.07 -1.64 0.42 116.25 121.63 1j1h h VAL 31 Ca 0.16 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1j1h h VAL 31 Cb 0.49 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1j1h h VAL 31 CO -0.02 0.51 -0.13 0.11 0.02 0.00 0.00 177.57 178.06 1j1h h LYS 32 N 0.18 0.22 -0.16 1.57 1.57 -1.10 0.13 116.57 118.99 1j1h h LYS 32 Ca 0.01 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1j1h h LYS 32 Cb 0.94 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1j1h h LYS 32 CO 0.08 0.72 -0.51 0.66 -0.57 0.00 0.00 179.45 179.82 1j1h h SER 33 N -0.26 0.47 0.03 0.86 4.64 -1.46 1.18 113.55 119.01 1j1h h SER 33 Ca 0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1j1h h SER 33 Cb 0.71 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1j1h h SER 33 CO 0.03 0.90 -0.01 0.25 -0.87 0.00 0.00 176.83 177.13 1j1h h LEU 34 N 0.34 -0.03 -0.93 5.97 5.85 -0.16 2.67 115.31 129.03 1j1h h LEU 34 Ca 0.01 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1j1h h LEU 34 Cb 1.01 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1j1h h LEU 34 CO 0.09 0.48 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.35 1j1h h ARG 35 N -0.55 0.00 -0.62 1.25 1.12 -0.73 -1.06 114.38 113.78 1j1h h ARG 35 Ca -0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.70 1j1h h ARG 35 Cb 0.52 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.38 1j1h h ARG 35 CO 0.01 0.23 0.18 0.00 -3.11 0.00 0.00 179.97 177.28 1j1h n ALA 36 N -2.21 4.27 -2.45 2.80 0.00 0.41 0.55 120.51 123.88 1j1h n ALA 36 Ca 0.01 -2.40 -0.33 0.00 0.00 0.00 0.00 53.44 50.72 1j1h n ALA 36 Cb 0.47 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.32 2.31 -0.22 0.00 0.00 0.89 -4.76 107.32 104.23 1j1h s GLY 37 Ca 0.52 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1j1h s GLY 37 CO 0.12 -0.12 -0.13 1.25 0.00 0.00 0.00 173.10 174.21 1j1h s LYS 38 N -2.56 2.74 0.14 2.90 2.20 -1.08 -4.57 119.74 119.51 1j1h s LYS 38 Ca 0.44 -1.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.07 1j1h s LYS 38 Cb -0.12 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1j1h s LYS 38 CO 0.21 -0.37 -0.11 0.54 -0.36 0.00 0.00 175.35 175.27 1j1h s VAL 39 N 1.25 1.18 -0.48 4.02 0.11 -1.26 0.88 120.40 126.10 1j1h s VAL 39 Ca -0.00 -2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 56.82 1j1h s VAL 39 Cb -0.16 -1.78 0.03 0.00 -1.53 0.00 0.00 36.38 32.94 1j1h s VAL 39 CO -0.08 -0.70 0.78 -1.81 -3.33 0.00 0.00 175.10 169.97 1j1h s ASP 40 N -3.05 6.36 -0.42 3.54 1.11 -1.03 -4.82 116.67 118.36 1j1h s ASP 40 Ca 0.15 -0.28 -0.16 0.00 0.18 0.00 0.00 52.55 52.45 1j1h s ASP 40 Cb 0.01 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.65 1j1h s ASP 40 CO 0.01 -0.96 0.35 -0.36 1.18 0.00 0.00 175.17 175.38 1j1h s PHE 41 N 3.30 3.22 0.00 4.23 0.40 -1.26 -4.48 117.98 123.39 1j1h s PHE 41 Ca 0.27 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1j1h s PHE 41 Cb -0.13 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.69 1j1h s PHE 41 CO 0.20 -0.64 0.00 -2.37 0.70 0.00 0.00 175.22 173.12 1j1h n THR 42 N 5.24 0.00 -2.26 0.64 5.66 -1.26 -4.14 114.28 118.17 1j1h n THR 42 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1j1h n THR 42 Cb 0.47 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.59 -0.29 3.79 1.09 0.00 -1.26 -4.87 105.19 102.05 1j1h n GLY 43 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1j1h n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j1h s SER 44 N -1.97 4.38 -0.01 1.61 0.01 -1.26 -4.92 113.70 111.54 1j1h s SER 44 Ca 0.00 -1.29 -0.13 0.00 1.31 0.00 0.00 55.95 55.84 1j1h s SER 44 Cb 0.00 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.29 1j1h s SER 44 CO 0.00 -0.78 0.27 -0.36 0.41 0.00 0.00 173.24 172.78 1j1h s PHE 45 N -2.73 -0.13 0.09 2.43 0.08 -1.26 -4.64 117.98 111.83 1j1h s PHE 45 Ca 0.30 0.18 0.09 0.00 0.12 0.00 0.00 56.93 57.61 1j1h s PHE 45 Cb 0.02 0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.50 1j1h s PHE 45 CO 0.17 -0.36 -0.22 0.00 -0.10 0.00 0.00 175.22 174.70 1j1h s ALA 46 N -1.33 1.94 0.11 5.36 0.00 -1.22 -0.33 121.76 126.29 1j1h s ALA 46 Ca -0.14 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.62 1j1h s ALA 46 Cb -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1j1h s ALA 46 CO 0.04 0.41 0.00 -0.98 0.00 0.00 0.00 175.76 175.24 1j1h s ARG 47 N -1.75 2.54 -0.35 0.00 1.70 -0.78 -4.89 118.95 115.41 1j1h s ARG 47 Ca 0.08 -0.88 -0.04 0.00 -0.47 0.00 0.00 55.73 54.42 1j1h s ARG 47 Cb -0.10 -2.52 0.07 0.00 -0.57 0.00 0.00 34.95 31.83 1j1h s ARG 47 CO 0.04 0.52 0.11 -0.59 -1.08 0.00 0.00 175.30 174.31 1j1h s PHE 48 N -1.39 3.35 -0.27 5.89 -0.71 -1.26 -3.05 117.98 120.55 1j1h s PHE 48 Ca 0.26 -1.84 0.13 0.00 -1.04 0.00 0.00 56.93 54.44 1j1h s PHE 48 Cb -0.11 -2.54 0.74 0.00 -1.21 0.00 0.00 43.02 39.89 1j1h s PHE 48 CO 0.19 -0.83 1.71 -1.91 -1.34 0.00 0.00 175.22 173.04 1j1h n GLU 49 N 4.70 4.01 -4.12 1.99 4.07 -0.83 -4.91 120.64 125.55 1j1h n GLU 49 Ca -0.10 -3.09 -0.28 0.00 -0.06 0.00 0.00 57.16 53.63 1j1h n GLU 49 Cb 0.43 -2.17 -0.06 0.00 -0.06 0.00 0.00 31.44 29.59 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1j1h n ASP 50 N 0.06 0.17 0.00 4.31 8.00 -1.26 -4.08 116.55 123.74 1j1h n ASP 50 Ca 0.32 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1j1h n ASP 50 Cb 1.23 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 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 -2.26 1.04 3.01 0.44 0.00 -1.26 -4.96 105.19 101.19 1j1h n GLY 51 Ca -0.32 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 0.68 -0.39 1.61 8.01 -1.26 -4.45 118.70 122.91 1j1h s GLU 52 Ca 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 54.97 54.67 1j1h s GLU 52 Cb 0.00 -0.66 0.10 0.00 -4.31 0.00 0.00 34.13 29.26 1j1h s GLU 52 CO 0.00 0.17 0.16 -1.17 0.01 0.00 0.00 175.26 174.43 1j1h s LEU 53 N -0.17 5.07 0.16 1.80 2.96 -1.15 -1.96 118.68 125.39 1j1h s LEU 53 Ca 0.03 -2.02 -0.17 0.00 -0.22 0.00 0.00 54.13 51.74 1j1h s LEU 53 Cb -0.04 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.80 1j1h s LEU 53 CO -0.00 -0.49 0.62 -0.31 -1.32 0.00 0.00 176.35 174.85 1j1h s TYR 54 N 1.09 3.66 0.37 5.38 2.02 -1.17 -0.92 117.35 127.78 1j1h s TYR 54 Ca 0.08 1.23 -0.28 0.00 -0.37 0.00 0.00 57.07 57.74 1j1h s TYR 54 Cb -0.22 -2.49 -0.10 0.00 -0.40 0.00 0.00 41.96 38.75 1j1h s TYR 54 CO -0.05 0.42 1.37 -0.51 -1.57 0.00 0.00 175.55 175.21 1j1h s LEU 55 N -1.80 4.32 0.00 -1.29 1.43 -1.26 -1.87 118.68 118.21 1j1h s LEU 55 Ca 0.38 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1j1h s LEU 55 Cb -0.17 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1j1h s LEU 55 CO 0.20 -0.75 0.00 1.21 0.23 0.00 0.00 176.35 177.24 1j1h n GLU 56 N 0.47 0.00 -0.67 1.70 4.07 0.55 -4.79 120.64 121.97 1j1h n GLU 56 Ca 0.02 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.17 1j1h n GLU 56 Cb 0.41 0.00 0.31 0.00 -0.06 0.00 0.00 31.44 32.10 1j1h n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1j1h n ASN 57 N -1.90 4.54 -4.45 4.31 5.15 -0.35 -4.77 115.26 117.79 1j1h n ASN 57 Ca 0.00 -2.68 -0.43 0.00 -0.60 0.00 0.00 54.58 50.86 1j1h n ASN 57 Cb 0.00 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.53 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1j1h s LEU 58 N -2.05 5.07 -0.22 1.20 1.43 -1.25 -4.07 118.68 118.79 1j1h s LEU 58 Ca 0.41 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1j1h s LEU 58 Cb 0.31 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1j1h s LEU 58 CO 0.12 -0.63 0.12 -0.31 0.23 0.00 0.00 176.35 175.89 1j1h s TYR 59 N 2.06 3.27 -0.53 0.29 2.02 -1.26 -4.89 117.35 118.32 1j1h s TYR 59 Ca 0.10 0.11 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1j1h s TYR 59 Cb -0.19 -2.21 0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1j1h s TYR 59 CO 0.11 0.05 0.69 0.42 -1.57 0.00 0.00 175.55 175.25 1j1h s ILE 60 N 0.91 4.79 -0.42 2.71 1.09 -1.26 -2.48 121.20 126.54 1j1h s ILE 60 Ca 0.06 -0.44 -0.21 0.00 -1.10 0.00 0.00 60.65 58.97 1j1h s ILE 60 Cb -0.13 -4.36 0.02 0.00 -1.06 0.00 0.00 42.46 36.92 1j1h s ILE 60 CO 0.03 -0.90 0.65 0.00 -0.10 0.00 0.00 174.94 174.62 1j1h s ALA 61 N 2.86 3.37 -0.04 9.38 0.00 0.25 -4.49 121.76 133.09 1j1h s ALA 61 Ca 0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1j1h s ALA 61 Cb -0.19 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1j1h s ALA 61 CO 0.12 -1.69 0.12 -1.00 0.00 0.00 0.00 175.76 173.31 1j1h h PRO 62 N 8.78 -0.06 0.00 0.00 0.13 -1.95 -2.86 132.00 136.04 1j1h h PRO 62 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1j1h h PRO 62 Cb 1.10 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1j1h h PRO 62 CO 0.88 -0.04 -0.06 2.48 -0.23 0.00 0.00 178.00 181.03 1j1h n TYR 63 N -3.47 0.00 -1.73 1.56 4.11 -1.26 -4.64 117.16 111.72 1j1h n TYR 63 Ca -0.01 -0.11 -0.42 0.00 -0.00 0.00 0.00 57.90 57.36 1j1h n TYR 63 Cb 0.03 0.30 -0.03 0.00 -0.00 0.00 0.00 39.34 39.63 1j1h n TYR 63 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1j1h s GLU 64 N 0.00 4.14 0.00 -3.48 0.41 -1.26 -4.93 118.70 113.58 1j1h s GLU 64 Ca 0.00 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.15 1j1h s GLU 64 Cb 0.00 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 1j1h s GLU 64 CO 0.00 -0.81 0.00 0.36 -0.49 0.00 0.00 175.26 174.32 1j1h n LYS 65 N 5.13 0.00 -1.50 1.61 2.85 -1.26 -4.83 118.16 120.15 1j1h n LYS 65 Ca 0.17 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.02 1j1h n LYS 65 Cb 0.37 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.65 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 2.76 -0.21 3.56 2.58 0.00 -1.26 -4.87 105.19 107.76 1j1h n GLY 66 Ca 0.00 0.99 -0.34 0.00 0.00 0.00 0.00 46.02 46.67 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 9.78 4.76 -0.03 1.61 1.04 -1.26 -5.10 113.70 124.50 1j1h s SER 67 Ca 1.22 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 57.62 1j1h s SER 67 Cb -0.91 -1.42 0.02 0.00 0.10 0.00 0.00 66.02 63.80 1j1h s SER 67 CO 0.43 0.30 -0.04 -0.31 0.98 0.00 0.00 173.24 174.60 1j1h s TYR 68 N -0.41 0.58 0.00 5.02 2.02 -1.26 -5.01 117.35 118.29 1j1h s TYR 68 Ca 0.06 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1j1h s TYR 68 Cb -0.12 -0.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1j1h s TYR 68 CO 0.02 -0.13 0.00 0.00 -1.57 0.00 0.00 175.55 173.87 1j1h n ALA 69 N 3.84 0.00 -2.72 3.71 0.00 -1.26 -4.42 120.51 119.66 1j1h n ALA 69 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.03 1j1h n ALA 69 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1j1h n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j1h s ASN 70 N -4.00 1.44 -0.00 0.00 6.03 -1.26 -5.15 114.94 112.01 1j1h s ASN 70 Ca 0.00 -0.51 0.02 0.00 -1.03 0.00 0.00 52.86 51.34 1j1h s ASN 70 Cb 0.00 -0.05 -0.03 0.00 -3.03 0.00 0.00 41.25 38.13 1j1h s ASN 70 CO 0.00 -0.05 -0.04 0.68 -2.03 0.00 0.00 177.10 175.66 1j1h s VAL 71 N -1.06 3.86 -0.31 3.54 -7.23 -1.26 -5.09 120.40 112.84 1j1h s VAL 71 Ca -0.02 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 1j1h s VAL 71 Cb -0.09 -2.69 0.09 0.00 0.56 0.00 0.00 36.38 34.25 1j1h s VAL 71 CO 0.01 0.39 0.01 -0.62 -0.31 0.00 0.00 175.10 174.59 1j1h s ASP 72 N -1.46 4.55 0.06 4.85 2.15 -1.26 -4.95 116.67 120.61 1j1h s ASP 72 Ca 0.18 -1.86 -0.15 0.00 0.43 0.00 0.00 52.55 51.16 1j1h s ASP 72 Cb -0.11 -1.50 -0.26 0.00 -0.30 0.00 0.00 42.92 40.75 1j1h s ASP 72 CO 0.08 -0.33 1.14 1.55 -0.17 0.00 0.00 175.17 177.45 1j1h h PRO 73 N 7.72 0.67 0.00 4.34 0.13 -1.99 -3.47 132.00 139.40 1j1h h PRO 73 Ca -0.09 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1j1h h PRO 73 Cb 1.03 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1j1h h PRO 73 CO 0.49 1.36 0.00 0.54 -0.23 0.00 0.00 178.00 180.16 1j1h n ARG 74 N -3.83 -0.72 -0.01 0.86 1.74 -1.26 -4.79 116.66 108.65 1j1h n ARG 74 Ca -0.12 0.18 0.19 0.00 -0.77 0.00 0.00 57.85 57.32 1j1h n ARG 74 Cb 0.94 -4.01 0.66 0.00 -1.02 0.00 0.00 32.46 29.03 1j1h n ARG 74 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1j1h h ARG 75 N 0.71 0.06 0.00 5.56 9.65 -1.91 -3.44 114.38 125.01 1j1h h ARG 75 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1j1h h ARG 75 Cb 0.36 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1j1h h ARG 75 CO 0.00 0.04 0.00 1.17 2.80 0.00 0.00 179.97 183.98 1j1h n LYS 76 N -4.40 0.00 -0.18 0.20 4.81 -1.26 -4.86 118.16 112.46 1j1h n LYS 76 Ca 0.09 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.62 1j1h n LYS 76 Cb 0.56 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.74 1j1h n LYS 76 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1j1h n ARG 77 N 0.00 1.17 -3.07 1.64 3.00 -1.26 -5.05 116.66 113.09 1j1h n ARG 77 Ca 0.00 -2.49 -0.09 0.00 -0.01 0.00 0.00 57.85 55.26 1j1h n ARG 77 Cb 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 32.46 31.07 1j1h n ARG 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1j1h n LYS 78 N -1.24 -1.87 -1.55 5.56 5.02 -1.26 -4.66 118.16 118.15 1j1h n LYS 78 Ca 0.15 1.70 -0.53 0.00 -2.02 0.00 0.00 58.31 57.60 1j1h n LYS 78 Cb 0.66 -3.20 -0.06 0.00 -0.02 0.00 0.00 35.03 32.41 1j1h n LYS 78 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j1h n LEU 79 N 0.58 1.03 -4.56 -0.35 4.32 -0.10 -4.79 117.00 113.13 1j1h n LEU 79 Ca 0.00 1.14 -0.40 0.00 -0.02 0.00 0.00 56.01 56.72 1j1h n LEU 79 Cb 0.39 -1.11 -0.09 0.00 -1.62 0.00 0.00 43.42 40.99 1j1h n LEU 79 CO 0.32 -1.42 0.05 -0.22 -1.22 0.00 0.00 177.39 174.89 1j1h s LEU 80 N 0.48 4.32 0.02 2.23 0.20 -1.25 -2.96 118.68 121.72 1j1h s LEU 80 Ca 0.83 -0.09 0.09 0.00 0.69 0.00 0.00 54.13 55.65 1j1h s LEU 80 Cb -1.02 -2.37 -0.02 0.00 -0.43 0.00 0.00 46.19 42.34 1j1h s LEU 80 CO 0.51 -0.31 -0.26 -0.76 -0.29 0.00 0.00 176.35 175.25 1j1h s LEU 81 N 2.06 2.12 0.23 -0.68 1.43 -1.26 -1.49 118.68 121.08 1j1h s LEU 81 Ca 0.13 -0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 52.38 1j1h s LEU 81 Cb -0.16 -1.28 -0.13 0.00 0.03 0.00 0.00 46.19 44.64 1j1h s LEU 81 CO 0.11 0.28 1.49 1.41 0.23 0.00 0.00 176.35 179.87 1j1h n HIS 82 N 2.05 2.32 -0.34 0.29 8.25 -1.26 -4.74 115.22 121.79 1j1h n HIS 82 Ca -0.17 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1j1h n HIS 82 Cb 0.52 -2.51 0.17 0.00 1.12 0.00 0.00 29.99 29.28 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 4.81 1.18 -0.30 -0.41 3.11 -1.93 -0.02 116.57 123.01 1j1h h LYS 83 Ca -0.45 -0.07 0.08 0.00 -2.81 0.00 0.00 60.65 57.39 1j1h h LYS 83 Cb 1.26 -0.27 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1j1h h LYS 83 CO 0.80 0.78 0.21 0.45 -2.81 0.00 0.00 179.45 178.89 1j1h h HIS 84 N 1.22 0.05 -0.08 1.91 3.86 -1.94 -0.09 115.15 120.08 1j1h h HIS 84 Ca 0.37 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.40 1j1h h HIS 84 Cb -0.03 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1j1h h HIS 84 CO -0.00 0.03 -0.72 0.93 0.86 0.00 0.00 177.93 179.03 1j1h h GLU 85 N 0.05 0.39 -0.12 2.45 3.07 -1.35 -3.29 114.58 115.79 1j1h h GLU 85 Ca 0.14 -0.32 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 1j1h h GLU 85 Cb 0.50 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1j1h h GLU 85 CO -0.01 0.96 -0.01 1.25 -1.40 0.00 0.00 179.01 179.80 1j1h h LEU 86 N 0.27 0.22 -0.54 1.33 6.46 -0.47 -3.24 115.31 119.34 1j1h h LEU 86 Ca -0.03 -0.33 -0.16 0.00 -0.12 0.00 0.00 57.88 57.24 1j1h h LEU 86 Cb 1.29 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1j1h h LEU 86 CO 0.12 0.50 -0.69 -0.09 -0.62 0.00 0.00 178.44 177.66 1j1h h ARG 87 N -0.07 0.23 -0.02 1.25 2.43 -1.66 -3.14 114.38 113.39 1j1h h ARG 87 Ca 0.03 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1j1h h ARG 87 Cb 0.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1j1h h ARG 87 CO 0.01 0.83 -0.15 -0.09 -1.51 0.00 0.00 179.97 179.06 1j1h h ARG 88 N 0.16 0.14 -0.08 0.20 2.43 -1.65 -0.60 114.38 114.97 1j1h h ARG 88 Ca -0.02 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1j1h h ARG 88 Cb 1.23 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1j1h h ARG 88 CO 0.11 0.80 -0.25 1.25 -1.51 0.00 0.00 179.97 180.37 1j1h h LEU 89 N -0.49 0.36 -0.98 3.80 7.12 -1.71 -3.18 115.31 120.23 1j1h h LEU 89 Ca -0.01 -0.60 -0.10 0.00 0.13 0.00 0.00 57.88 57.29 1j1h h LEU 89 Cb 0.83 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 1j1h h LEU 89 CO 0.03 0.90 -0.41 0.25 -0.13 0.00 0.00 178.44 179.08 1j1h h LEU 90 N -0.16 0.21 -2.33 2.25 7.12 -1.69 -2.95 115.31 117.75 1j1h h LEU 90 Ca -0.01 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1j1h h LEU 90 Cb 0.87 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1j1h h LEU 90 CO 0.05 0.60 0.13 1.23 -0.13 0.00 0.00 178.44 180.32 1j1h h GLY 91 N 1.23 0.00 1.19 3.75 0.00 -1.07 -2.42 103.07 105.74 1j1h h GLY 91 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 1j1h h GLY 91 CO 0.06 0.00 -1.57 0.50 0.00 0.00 0.00 176.54 175.54 1j1h h LYS 92 N 0.00 0.20 0.00 4.80 1.79 -1.62 -3.33 116.57 118.41 1j1h h LYS 92 Ca 0.00 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1j1h h LYS 92 Cb 0.26 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1j1h h LYS 92 CO 0.00 1.03 -0.05 -0.39 -1.08 0.00 0.00 179.45 178.96 1j1h h VAL 93 N 0.06 0.55 0.00 0.50 -1.51 -1.60 -2.84 116.25 111.41 1j1h h VAL 93 Ca -0.25 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1j1h h VAL 93 Cb 2.00 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1j1h h VAL 93 CO 0.14 0.05 0.13 -1.84 -1.23 0.00 0.00 177.57 174.83 1j1h n GLU 94 N -3.77 0.06 -4.80 5.19 0.28 -1.24 -3.13 120.64 113.24 1j1h n GLU 94 Ca -0.02 0.51 -0.25 0.00 -0.16 0.00 0.00 57.16 57.23 1j1h n GLU 94 Cb 0.15 -1.84 -0.16 0.00 1.43 0.00 0.00 31.44 31.02 1j1h n GLU 94 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1j1h s GLN 95 N -3.14 1.55 -0.16 3.44 0.74 -1.07 -4.82 119.66 116.18 1j1h s GLN 95 Ca -0.01 -0.59 -0.00 0.00 0.05 0.00 0.00 55.36 54.80 1j1h s GLN 95 Cb 0.03 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.72 1j1h s GLN 95 CO 0.09 0.29 0.14 1.17 -0.55 0.00 0.00 175.29 176.43 1j1h n LYS 96 N 2.93 -0.93 -3.86 1.67 4.81 -1.26 -4.19 118.16 117.32 1j1h n LYS 96 Ca -0.16 0.11 -0.36 0.00 -0.87 0.00 0.00 58.31 57.02 1j1h n LYS 96 Cb 0.54 -2.94 0.02 0.00 0.02 0.00 0.00 35.03 32.67 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 -0.89 -0.98 3.78 3.14 0.00 -1.26 -4.20 105.19 104.76 1j1h n GLY 97 Ca -0.02 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.60 3.74 0.39 0.99 1.02 -1.18 -0.01 118.68 117.02 1j1h s LEU 98 Ca 0.39 -0.15 0.08 0.00 0.02 0.00 0.00 54.13 54.47 1j1h s LEU 98 Cb -0.19 -2.36 -0.06 0.00 0.02 0.00 0.00 46.19 43.60 1j1h s LEU 98 CO 0.92 0.08 0.09 0.42 0.02 0.00 0.00 176.35 177.88 1j1h s THR 99 N -1.70 2.30 -0.07 5.49 -4.23 -1.15 -4.74 115.64 111.53 1j1h s THR 99 Ca 0.30 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1j1h s THR 99 Cb -0.10 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1j1h s THR 99 CO 0.23 -0.05 -0.02 -1.48 -0.54 0.00 0.00 174.62 172.75 1j1h s LEU 100 N -3.80 0.85 -0.09 4.79 0.05 -1.26 -3.18 118.68 116.04 1j1h s LEU 100 Ca 0.38 -0.13 -0.07 0.00 0.05 0.00 0.00 54.13 54.35 1j1h s LEU 100 Cb 0.05 -0.51 0.03 0.00 -2.05 0.00 0.00 46.19 43.70 1j1h s LEU 100 CO 0.20 -0.15 0.22 0.54 -0.55 0.00 0.00 176.35 176.62 1j1h s VAL 101 N 1.69 -0.01 -1.19 1.48 0.11 -1.25 -3.40 120.40 117.83 1j1h s VAL 101 Ca 0.01 0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 1j1h s VAL 101 Cb -0.13 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1j1h s VAL 101 CO -0.05 0.01 1.89 -0.81 -3.33 0.00 0.00 175.10 172.81 1j1h n PRO 102 N 3.19 2.10 -0.33 1.54 -0.04 -1.25 -1.30 135.00 138.91 1j1h n PRO 102 Ca -0.15 -2.65 0.12 0.00 -0.04 0.00 0.00 63.50 60.77 1j1h n PRO 102 Cb 0.57 -3.58 0.24 0.00 -0.04 0.00 0.00 33.50 30.70 1j1h n PRO 102 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1j1h n LEU 103 N 11.73 -0.18 -3.83 1.53 4.32 0.35 -4.08 117.00 126.85 1j1h n LEU 103 Ca 0.47 1.62 -0.24 0.00 -0.02 0.00 0.00 56.01 57.84 1j1h n LEU 103 Cb 0.46 -0.56 -0.17 0.00 -1.62 0.00 0.00 43.42 41.52 1j1h n LEU 103 CO 0.75 -1.62 -0.40 -0.54 -1.22 0.00 0.00 177.39 174.35 1j1h s LYS 104 N -6.01 0.93 -0.24 3.23 1.02 -1.25 0.71 119.74 118.12 1j1h s LYS 104 Ca -0.13 -0.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 1j1h s LYS 104 Cb 0.27 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 1j1h s LYS 104 CO 0.74 -0.26 -0.02 0.42 -0.92 0.00 0.00 175.35 175.32 1j1h s ILE 105 N 1.74 3.40 0.25 2.17 1.01 -1.25 -2.97 121.20 125.55 1j1h s ILE 105 Ca 0.03 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1j1h s ILE 105 Cb -0.13 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1j1h s ILE 105 CO -0.05 0.29 0.23 -0.31 0.00 0.00 0.00 174.94 175.10 1j1h s TYR 106 N 1.45 3.17 -0.01 3.97 1.51 -0.09 -1.70 117.35 125.64 1j1h s TYR 106 Ca 0.04 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1j1h s TYR 106 Cb -0.16 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1j1h s TYR 106 CO -0.02 0.49 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.77 1j1h s PHE 107 N -2.11 0.78 0.09 2.71 0.08 -1.26 -1.90 117.98 116.36 1j1h s PHE 107 Ca 0.33 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.26 1j1h s PHE 107 Cb -0.08 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 1j1h s PHE 107 CO 0.26 -0.03 -0.09 -0.80 -0.10 0.00 0.00 175.22 174.46 1j1h s ASN 108 N -0.13 1.33 0.00 1.36 0.01 -0.84 -4.87 114.94 111.80 1j1h s ASN 108 Ca 0.02 -0.79 0.17 0.00 -0.71 0.00 0.00 52.86 51.55 1j1h s ASN 108 Cb -0.04 0.02 0.80 0.00 0.41 0.00 0.00 41.25 42.44 1j1h s ASN 108 CO -0.00 -0.27 1.52 1.21 -1.51 0.00 0.00 177.10 178.04 1j1h n GLU 109 N 0.66 0.14 -0.15 -0.60 2.13 -1.26 -2.86 120.64 118.69 1j1h n GLU 109 Ca -0.17 0.16 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1j1h n GLU 109 Cb 0.57 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.86 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 -1.38 1.66 -2.32 5.31 0.00 -1.26 -4.78 116.66 113.89 1j1h n ARG 110 Ca 0.06 -0.57 -0.16 0.00 -0.00 0.00 0.00 57.85 57.18 1j1h n ARG 110 Cb 0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 32.46 31.05 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 0.21 -0.31 2.95 5.14 0.00 -1.13 -4.95 105.19 107.09 1j1h n GLY 111 Ca 0.05 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1j1h n GLY 111 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j1h s TYR 112 N -2.82 2.63 -0.06 1.61 5.04 -1.24 -3.98 117.35 118.53 1j1h s TYR 112 Ca 0.00 -1.97 0.04 0.00 -2.44 0.00 0.00 57.07 52.70 1j1h s TYR 112 Cb -0.00 -1.78 -0.02 0.00 0.35 0.00 0.00 41.96 40.51 1j1h s TYR 112 CO 0.00 -0.82 -0.18 0.00 -1.34 0.00 0.00 175.55 173.22 1j1h s ALA 113 N 1.31 2.49 -0.20 3.97 0.00 -0.51 -1.98 121.76 126.84 1j1h s ALA 113 Ca -0.04 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1j1h s ALA 113 Cb -0.19 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1j1h s ALA 113 CO -0.07 0.48 0.15 0.15 0.00 0.00 0.00 175.76 176.47 1j1h s LYS 114 N -0.43 4.18 -0.00 0.00 -0.14 -0.80 -1.42 119.74 121.13 1j1h s LYS 114 Ca 0.05 -0.19 0.08 0.00 -1.36 0.00 0.00 55.97 54.55 1j1h s LYS 114 Cb -0.12 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.57 1j1h s LYS 114 CO 0.02 0.26 -0.24 0.08 -0.76 0.00 0.00 175.35 174.71 1j1h s VAL 115 N 0.47 2.25 -0.06 3.17 1.01 -0.54 -0.92 120.40 125.78 1j1h s VAL 115 Ca 0.09 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1j1h s VAL 115 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1j1h s VAL 115 CO -0.00 0.51 -0.11 -0.22 0.00 0.00 0.00 175.10 175.28 1j1h s LEU 116 N -0.85 1.59 -0.19 3.92 0.20 -1.16 -1.50 118.68 120.69 1j1h s LEU 116 Ca 0.11 -0.27 -0.12 0.00 0.69 0.00 0.00 54.13 54.55 1j1h s LEU 116 Cb -0.10 -0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 44.86 1j1h s LEU 116 CO 0.00 0.02 0.20 -0.22 -0.29 0.00 0.00 176.35 176.06 1j1h s LEU 117 N 0.71 4.20 -0.32 -0.68 1.98 -0.78 -0.49 118.68 123.31 1j1h s LEU 117 Ca -0.14 0.32 -0.03 0.00 -2.89 0.00 0.00 54.13 51.39 1j1h s LEU 117 Cb -0.16 -2.21 0.05 0.00 0.66 0.00 0.00 46.19 44.54 1j1h s LEU 117 CO 0.03 0.12 0.05 -0.83 -1.89 0.00 0.00 176.35 173.83 1j1h s GLY 118 N 0.53 1.80 -0.34 7.98 0.00 -0.42 -3.14 107.32 113.74 1j1h s GLY 118 Ca 0.11 -1.83 -0.23 0.00 0.00 0.00 0.00 44.72 42.77 1j1h s GLY 118 CO 0.01 0.75 0.78 -2.27 0.00 0.00 0.00 173.10 172.37 1j1h s LEU 119 N 1.28 4.11 -0.16 0.66 2.96 -0.15 -3.87 118.68 123.51 1j1h s LEU 119 Ca -0.03 0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 1j1h s LEU 119 Cb -0.20 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1j1h s LEU 119 CO -0.00 -0.68 0.08 0.00 -1.32 0.00 0.00 176.35 174.43 1j1h s ALA 120 N 3.03 3.54 -0.41 5.97 0.00 -1.19 0.38 121.76 133.09 1j1h s ALA 120 Ca 0.32 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1j1h s ALA 120 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1j1h s ALA 120 CO 0.15 0.32 0.45 -0.98 0.00 0.00 0.00 175.76 175.69 1j1h s ARG 121 N -0.07 3.20 0.00 0.00 1.70 -1.26 -2.94 118.95 119.58 1j1h s ARG 121 Ca 0.08 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1j1h s ARG 121 Cb -0.12 -3.93 0.00 0.00 -0.57 0.00 0.00 34.95 30.33 1j1h s ARG 121 CO 0.01 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 173.83 1j1h n GLY 122 N 5.07 0.20 0.00 3.88 0.00 -1.23 -5.01 105.19 108.09 1j1h n GLY 122 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1j1h n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49