#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 -2.69 -1.78 3.04 0.00 -1.26 -5.00 120.51 112.82 1j1h n ALA 2 Ca 0.00 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 1j1h n ALA 2 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1j1h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j1h s PRO 3 N -2.17 4.31 -1.05 0.00 0.04 -1.26 -4.85 135.00 130.03 1j1h s PRO 3 Ca 0.08 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 1j1h s PRO 3 Cb -0.02 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1j1h s PRO 3 CO 0.37 -0.00 1.75 0.54 0.04 0.00 0.00 177.00 179.71 1j1h s VAL 4 N -1.63 3.72 0.06 -0.36 0.11 -1.26 -4.83 120.40 116.21 1j1h s VAL 4 Ca 0.55 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1j1h s VAL 4 Cb -0.21 -4.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.01 1j1h s VAL 4 CO 0.27 -1.44 0.00 0.18 -3.33 0.00 0.00 175.10 170.78 1j1h n LEU 5 N 11.55 -0.14 -4.03 2.54 4.77 -1.26 -4.30 117.00 126.15 1j1h n LEU 5 Ca 0.40 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1j1h n LEU 5 Cb 0.48 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1j1h n LEU 5 CO 0.66 -0.14 -0.37 -1.83 -1.33 0.00 0.00 177.39 174.37 1j1h s GLU 6 N -3.67 0.44 -1.11 3.23 -1.05 -1.26 -4.08 118.70 111.19 1j1h s GLU 6 Ca 0.00 -0.77 -0.22 0.00 -0.15 0.00 0.00 54.97 53.83 1j1h s GLU 6 Cb 0.00 -0.00 -0.00 0.00 -0.44 0.00 0.00 34.13 33.68 1j1h s GLU 6 CO 0.00 -0.03 1.77 0.54 0.95 0.00 0.00 175.26 178.49 1j1h s ASN 7 N -1.77 5.88 -0.00 0.83 4.22 0.87 -4.77 114.94 120.20 1j1h s ASN 7 Ca -0.10 -1.60 -0.19 0.00 -2.14 0.00 0.00 52.86 48.83 1j1h s ASN 7 Cb -0.07 -2.58 -0.28 0.00 1.28 0.00 0.00 41.25 39.61 1j1h s ASN 7 CO -0.02 -2.13 1.02 -0.09 -2.04 0.00 0.00 177.10 173.85 1j1h h ARG 8 N 9.52 0.43 -0.73 3.55 2.43 -1.77 -3.14 114.38 124.68 1j1h h ARG 8 Ca 0.25 -0.58 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1j1h h ARG 8 Cb 0.95 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1j1h h ARG 8 CO 1.33 1.23 0.30 -0.09 -1.51 0.00 0.00 179.97 181.23 1j1h h ARG 9 N -0.10 1.07 0.09 0.20 1.12 -1.87 0.89 114.38 115.78 1j1h h ARG 9 Ca -0.13 -0.18 -0.31 0.00 -1.11 0.00 0.00 59.98 58.25 1j1h h ARG 9 Cb 1.61 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 31.36 1j1h h ARG 9 CO 0.17 0.86 -1.68 0.00 -3.11 0.00 0.00 179.97 176.21 1j1h h ALA 10 N 1.27 0.34 0.00 2.80 0.00 -1.78 0.36 119.26 122.25 1j1h h ALA 10 Ca 0.25 -1.29 -0.09 0.00 0.00 0.00 0.00 54.91 53.77 1j1h h ALA 10 Cb 0.19 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j1h h ALA 10 CO -0.02 1.05 -0.45 -0.09 0.00 0.00 0.00 179.25 179.74 1j1h h ARG 11 N -0.32 0.00 0.05 0.00 2.43 -1.63 -2.55 114.38 112.36 1j1h h ARG 11 Ca -0.38 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.41 1j1h h ARG 11 Cb 1.77 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.27 1j1h h ARG 11 CO -0.01 0.45 -2.20 1.58 -1.51 0.00 0.00 179.97 178.27 1j1h n HIS 12 N -3.86 0.57 -0.04 2.20 -0.00 0.30 -4.82 115.22 109.57 1j1h n HIS 12 Ca -0.01 0.14 -0.05 0.00 0.46 0.00 0.00 57.72 58.26 1j1h n HIS 12 Cb 0.49 -1.07 -0.05 0.00 -0.12 0.00 0.00 29.99 29.24 1j1h n HIS 12 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1j1h n ASP 13 N -3.54 3.23 -4.09 0.26 -0.08 0.10 -5.02 116.55 107.42 1j1h n ASP 13 Ca -0.40 -0.02 -0.14 0.00 -1.51 0.00 0.00 54.79 52.71 1j1h n ASP 13 Cb 0.98 0.29 -0.12 0.00 2.34 0.00 0.00 41.12 44.62 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 -2.18 0.81 -0.09 -0.67 6.14 0.26 -4.94 117.35 116.68 1j1h s TYR 14 Ca -0.08 -0.50 -0.26 0.00 0.64 0.00 0.00 57.07 56.87 1j1h s TYR 14 Cb 0.03 -0.48 -0.02 0.00 0.42 0.00 0.00 41.96 41.91 1j1h s TYR 14 CO 0.26 -0.05 0.85 -2.00 0.64 0.00 0.00 175.55 175.25 1j1h s GLU 15 N -1.67 4.42 -0.21 4.97 2.12 -1.26 -4.30 118.70 122.76 1j1h s GLU 15 Ca -0.08 1.12 -0.23 0.00 0.36 0.00 0.00 54.97 56.15 1j1h s GLU 15 Cb -0.10 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1j1h s GLU 15 CO 0.01 -0.14 0.72 0.42 -0.54 0.00 0.00 175.26 175.73 1j1h s ILE 16 N 1.46 4.94 -0.02 -3.70 -1.09 -1.26 -4.46 121.20 117.07 1j1h s ILE 16 Ca 0.43 1.37 -0.25 0.00 -2.23 0.00 0.00 60.65 59.97 1j1h s ILE 16 Cb -0.18 -4.03 -0.19 0.00 -1.58 0.00 0.00 42.46 36.49 1j1h s ILE 16 CO 0.19 0.03 1.21 0.25 -1.23 0.00 0.00 174.94 175.38 1j1h h LEU 17 N 8.61 -0.11 -8.68 2.97 6.46 -0.95 -3.46 115.31 120.16 1j1h h LEU 17 Ca -0.28 -0.38 -0.60 0.00 -0.12 0.00 0.00 57.88 56.51 1j1h h LEU 17 Cb 1.12 0.03 -0.23 0.00 -0.73 0.00 0.00 40.66 40.85 1j1h h LEU 17 CO 0.81 0.34 -0.84 -0.70 -0.62 0.00 0.00 178.44 177.43 1j1h s GLU 18 N -4.27 1.29 0.06 1.25 2.56 -1.14 -4.97 118.70 113.48 1j1h s GLU 18 Ca -0.15 -1.12 0.02 0.00 0.00 0.00 0.00 54.97 53.71 1j1h s GLU 18 Cb 0.02 -1.55 -0.03 0.00 2.00 0.00 0.00 34.13 34.57 1j1h s GLU 18 CO 0.61 0.37 -0.07 0.95 -0.56 0.00 0.00 175.26 176.57 1j1h s THR 19 N -1.01 0.55 0.04 -1.70 -4.23 -1.26 -0.81 115.64 107.21 1j1h s THR 19 Ca 0.08 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1j1h s THR 19 Cb -0.10 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1j1h s THR 19 CO 0.04 -0.63 -0.01 -0.72 -0.54 0.00 0.00 174.62 172.76 1j1h s TYR 20 N -2.45 0.38 -0.16 3.99 -0.85 -1.11 -4.53 117.35 112.63 1j1h s TYR 20 Ca -0.01 -0.80 0.01 0.00 -0.52 0.00 0.00 57.07 55.74 1j1h s TYR 20 Cb -0.03 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.05 1j1h s TYR 20 CO -0.02 -0.32 -0.15 -1.83 -1.52 0.00 0.00 175.55 171.71 1j1h s GLU 21 N -2.91 2.37 0.35 -3.49 -1.05 -1.26 -1.85 118.70 110.87 1j1h s GLU 21 Ca -0.02 -0.63 0.08 0.00 -0.15 0.00 0.00 54.97 54.24 1j1h s GLU 21 Cb 0.01 -2.21 -0.05 0.00 -0.44 0.00 0.00 34.13 31.43 1j1h s GLU 21 CO -0.06 -0.26 0.11 0.00 0.95 0.00 0.00 175.26 176.00 1j1h s ALA 22 N 1.45 3.42 -0.49 -0.84 0.00 -0.60 -4.58 121.76 120.12 1j1h s ALA 22 Ca 0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 1j1h s ALA 22 Cb -0.13 -0.54 0.13 0.00 0.00 0.00 0.00 23.12 22.58 1j1h s ALA 22 CO -0.11 0.00 0.28 0.20 0.00 0.00 0.00 175.76 176.14 1j1h s GLY 23 N -3.81 2.19 -0.13 0.00 0.00 -0.22 -3.37 107.32 101.97 1j1h s GLY 23 Ca 0.37 -2.82 -0.11 0.00 0.00 0.00 0.00 44.72 42.17 1j1h s GLY 23 CO 0.21 1.05 0.22 -0.42 0.00 0.00 0.00 173.10 174.17 1j1h s ILE 24 N 0.66 5.36 0.31 0.90 1.09 -0.61 -3.89 121.20 125.02 1j1h s ILE 24 Ca 0.12 0.39 0.10 0.00 -1.10 0.00 0.00 60.65 60.16 1j1h s ILE 24 Cb -0.22 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.61 1j1h s ILE 24 CO -0.04 0.52 -0.03 0.00 -0.10 0.00 0.00 174.94 175.29 1j1h s ALA 25 N -0.39 3.11 0.20 9.38 0.00 -1.26 0.10 121.76 132.90 1j1h s ALA 25 Ca 0.15 -1.87 0.10 0.00 0.00 0.00 0.00 51.96 50.35 1j1h s ALA 25 Cb -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1j1h s ALA 25 CO 0.04 0.16 -0.13 -0.48 0.00 0.00 0.00 175.76 175.35 1j1h s LEU 26 N -3.67 2.82 0.00 0.00 0.05 -1.26 -4.97 118.68 111.65 1j1h s LEU 26 Ca 0.33 -0.70 -0.11 0.00 0.05 0.00 0.00 54.13 53.70 1j1h s LEU 26 Cb -0.03 -1.48 0.15 0.00 -2.05 0.00 0.00 46.19 42.78 1j1h s LEU 26 CO 0.19 0.09 0.83 1.17 -0.55 0.00 0.00 176.35 178.08 1j1h n LYS 27 N -0.05 -1.04 -0.09 1.48 4.81 -1.26 -4.74 118.16 117.27 1j1h n LYS 27 Ca -0.10 -1.28 -0.11 0.00 -0.87 0.00 0.00 58.31 55.95 1j1h n LYS 27 Cb 0.56 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.68 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 -1.22 0.51 0.84 3.14 0.00 -2.00 -2.89 103.07 101.44 1j1h h GLY 28 Ca -0.27 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1j1h h GLY 28 CO 0.19 0.32 -0.41 -1.30 0.00 0.00 0.00 176.54 175.34 1j1h n THR 29 N -4.64 0.00 -0.05 4.70 -2.24 -1.26 -3.72 114.28 107.06 1j1h n THR 29 Ca -0.03 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1j1h n THR 29 Cb 0.22 0.25 0.52 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.31 0.35 -0.53 -0.78 5.08 -1.85 -0.33 114.58 116.83 1j1h h GLU 30 Ca 0.00 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1j1h h GLU 30 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1j1h h GLU 30 CO 0.00 0.23 0.35 0.28 -1.00 0.00 0.00 179.01 178.87 1j1h h VAL 31 N 0.36 0.97 0.01 3.13 2.07 -1.66 1.67 116.25 122.80 1j1h h VAL 31 Ca 0.25 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1j1h h VAL 31 Cb 0.52 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1j1h h VAL 31 CO -0.06 0.08 -0.00 0.11 0.02 0.00 0.00 177.57 177.72 1j1h h LYS 32 N 0.46 -0.01 -0.12 1.57 1.57 -1.32 -0.01 116.57 118.71 1j1h h LYS 32 Ca 0.23 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1j1h h LYS 32 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1j1h h LYS 32 CO -0.06 0.47 -0.56 1.03 -0.57 0.00 0.00 179.45 179.76 1j1h h SER 33 N -0.49 0.40 0.05 0.86 0.87 -1.50 0.75 113.55 114.49 1j1h h SER 33 Ca -0.00 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1j1h h SER 33 Cb 0.49 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1j1h h SER 33 CO 0.00 0.88 -0.03 0.25 -0.53 0.00 0.00 176.83 177.41 1j1h h LEU 34 N 0.28 -0.06 -1.04 2.23 7.12 0.25 3.87 115.31 127.95 1j1h h LEU 34 Ca 0.00 -0.45 -0.05 0.00 0.13 0.00 0.00 57.88 57.52 1j1h h LEU 34 Cb 1.07 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 1j1h h LEU 34 CO 0.09 0.43 -0.22 0.03 -0.13 0.00 0.00 178.44 178.64 1j1h h ARG 35 N -0.57 0.00 -0.57 1.25 3.08 -1.01 -1.62 114.38 114.94 1j1h h ARG 35 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1j1h h ARG 35 Cb 0.50 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.44 1j1h h ARG 35 CO 0.01 0.22 0.16 0.00 -1.07 0.00 0.00 179.97 179.30 1j1h n ALA 36 N -2.21 4.23 -2.60 0.04 0.00 0.26 -4.57 120.51 115.66 1j1h n ALA 36 Ca 0.00 -2.55 -0.42 0.00 0.00 0.00 0.00 53.44 50.47 1j1h n ALA 36 Cb 0.44 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.59 1.60 -0.34 0.00 0.00 1.28 -4.73 107.32 103.53 1j1h s GLY 37 Ca 0.50 -0.53 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 1j1h s GLY 37 CO 0.09 1.93 0.48 1.25 0.00 0.00 0.00 173.10 176.85 1j1h s LYS 38 N 3.36 3.67 0.06 2.90 2.47 -1.24 -4.43 119.74 126.53 1j1h s LYS 38 Ca 0.36 -0.16 0.01 0.00 -1.56 0.00 0.00 55.97 54.62 1j1h s LYS 38 Cb -0.12 -3.79 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 1j1h s LYS 38 CO 0.18 -0.58 -0.06 0.08 0.16 0.00 0.00 175.35 175.13 1j1h s VAL 39 N 2.31 0.52 -0.49 4.02 1.01 -1.26 -0.22 120.40 126.28 1j1h s VAL 39 Ca 0.18 -1.53 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 1j1h s VAL 39 Cb -0.16 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1j1h s VAL 39 CO 0.13 -0.69 0.91 -0.62 0.00 0.00 0.00 175.10 174.83 1j1h s ASP 40 N -2.37 6.44 -0.40 3.32 2.15 -1.11 -4.97 116.67 119.73 1j1h s ASP 40 Ca 0.01 -0.06 -0.16 0.00 0.43 0.00 0.00 52.55 52.77 1j1h s ASP 40 Cb -0.01 -2.44 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 1j1h s ASP 40 CO -0.03 -1.08 0.34 -0.36 -0.17 0.00 0.00 175.17 173.87 1j1h s PHE 41 N 3.74 3.21 0.00 -5.34 0.40 -1.26 -4.44 117.98 114.30 1j1h s PHE 41 Ca 0.34 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1j1h s PHE 41 Cb -0.11 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1j1h s PHE 41 CO 0.24 -0.60 0.00 -2.37 0.70 0.00 0.00 175.22 173.19 1j1h n THR 42 N 5.25 0.00 -2.16 0.64 5.66 -1.26 -4.27 114.28 118.14 1j1h n THR 42 Ca -0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.80 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 -1.67 -0.14 4.01 1.09 0.00 -1.26 -4.88 105.19 102.34 1j1h n GLY 43 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.98 5.63 0.07 1.61 0.15 -1.26 -4.88 113.70 113.03 1j1h s SER 44 Ca 0.00 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 1j1h s SER 44 Cb 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1j1h s SER 44 CO 0.00 -0.79 0.21 -0.36 1.20 0.00 0.00 173.24 173.49 1j1h s PHE 45 N -2.39 0.08 0.02 3.44 0.40 -1.26 -4.44 117.98 113.84 1j1h s PHE 45 Ca 0.55 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1j1h s PHE 45 Cb -0.10 -0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.39 1j1h s PHE 45 CO 0.33 -0.50 -0.05 0.00 0.70 0.00 0.00 175.22 175.71 1j1h s ALA 46 N -3.22 0.37 0.03 5.36 0.00 -1.05 -0.17 121.76 123.08 1j1h s ALA 46 Ca -0.00 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1j1h s ALA 46 Cb 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1j1h s ALA 46 CO -0.07 -0.03 -0.06 0.50 0.00 0.00 0.00 175.76 176.10 1j1h s ARG 47 N -1.06 2.51 -0.37 0.00 3.52 -0.30 -4.82 118.95 118.43 1j1h s ARG 47 Ca -0.08 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 54.71 1j1h s ARG 47 Cb -0.07 -2.49 0.08 0.00 -1.56 0.00 0.00 34.95 30.90 1j1h s ARG 47 CO -0.00 0.58 0.14 -0.59 -0.81 0.00 0.00 175.30 174.62 1j1h s PHE 48 N -1.08 3.40 -0.36 5.12 -0.71 -1.26 -1.45 117.98 121.63 1j1h s PHE 48 Ca 0.19 -1.94 0.05 0.00 -1.04 0.00 0.00 56.93 54.18 1j1h s PHE 48 Cb -0.11 -2.70 0.54 0.00 -1.21 0.00 0.00 43.02 39.54 1j1h s PHE 48 CO 0.10 -0.86 1.67 -1.91 -1.34 0.00 0.00 175.22 172.88 1j1h n GLU 49 N 4.69 2.35 -4.18 1.99 4.07 -0.83 -4.84 120.64 123.89 1j1h n GLU 49 Ca -0.08 -2.36 -0.33 0.00 -0.06 0.00 0.00 57.16 54.32 1j1h n GLU 49 Cb 0.43 -1.95 -0.03 0.00 -0.06 0.00 0.00 31.44 29.82 1j1h n GLU 49 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1j1h n ASP 50 N -0.55 -2.06 0.00 4.31 2.03 -1.26 -4.04 116.55 114.97 1j1h n ASP 50 Ca 0.42 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.68 1j1h n ASP 50 Cb 1.34 -2.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j1h n GLY 51 N -1.64 0.24 2.81 0.27 0.00 -1.26 -4.95 105.19 100.67 1j1h n GLY 51 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 0.82 -0.62 1.61 8.01 -1.26 -4.63 118.70 122.62 1j1h s GLU 52 Ca 0.00 0.01 -0.18 0.00 0.01 0.00 0.00 54.97 54.81 1j1h s GLU 52 Cb 0.00 -1.08 0.12 0.00 -4.31 0.00 0.00 34.13 28.86 1j1h s GLU 52 CO 0.00 -0.27 0.71 -1.17 0.01 0.00 0.00 175.26 174.54 1j1h s LEU 53 N 1.80 5.57 0.25 1.80 2.96 -1.22 -1.97 118.68 127.87 1j1h s LEU 53 Ca 0.03 -1.61 -0.14 0.00 -0.22 0.00 0.00 54.13 52.20 1j1h s LEU 53 Cb -0.13 -2.29 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 1j1h s LEU 53 CO -0.05 -1.04 0.64 -0.31 -1.32 0.00 0.00 176.35 174.27 1j1h s TYR 54 N 2.37 3.46 0.37 5.38 2.02 -0.53 -1.93 117.35 128.48 1j1h s TYR 54 Ca 0.12 1.09 -0.28 0.00 -0.37 0.00 0.00 57.07 57.64 1j1h s TYR 54 Cb -0.23 -2.42 -0.10 0.00 -0.40 0.00 0.00 41.96 38.81 1j1h s TYR 54 CO 0.04 0.23 1.35 -0.51 -1.57 0.00 0.00 175.55 175.09 1j1h s LEU 55 N -2.65 4.33 0.00 -1.29 1.43 -1.26 -1.15 118.68 118.09 1j1h s LEU 55 Ca 0.48 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 1j1h s LEU 55 Cb -0.12 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1j1h s LEU 55 CO 0.19 -0.72 0.00 1.21 0.23 0.00 0.00 176.35 177.26 1j1h n GLU 56 N 0.49 0.00 0.00 1.70 4.07 0.77 -4.69 120.64 122.97 1j1h n GLU 56 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1j1h n GLU 56 Cb 0.42 -0.34 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 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 -2.51 1.58 -4.51 4.31 5.15 -0.54 -4.80 115.26 113.93 1j1h n ASN 57 Ca 0.00 -1.73 -0.42 0.00 -0.60 0.00 0.00 54.58 51.84 1j1h n ASN 57 Cb 0.21 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.43 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 -0.73 3.69 -0.25 1.20 1.43 -1.25 -4.32 118.68 118.45 1j1h s LEU 58 Ca 0.00 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 52.12 1j1h s LEU 58 Cb 0.00 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1j1h s LEU 58 CO 0.00 -1.64 0.52 -0.31 0.23 0.00 0.00 176.35 175.15 1j1h s TYR 59 N 4.97 3.28 -0.51 0.29 1.51 -1.26 -4.96 117.35 120.66 1j1h s TYR 59 Ca 0.32 0.67 -0.22 0.00 -1.01 0.00 0.00 57.07 56.82 1j1h s TYR 59 Cb -0.10 -2.72 0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1j1h s TYR 59 CO 0.10 -0.26 0.78 0.42 -1.11 0.00 0.00 175.55 175.47 1j1h s ILE 60 N 2.24 4.64 -0.45 2.71 1.09 -1.26 -2.73 121.20 127.44 1j1h s ILE 60 Ca 0.22 -0.01 -0.10 0.00 -1.10 0.00 0.00 60.65 59.66 1j1h s ILE 60 Cb -0.16 -4.40 0.10 0.00 -1.06 0.00 0.00 42.46 36.95 1j1h s ILE 60 CO 0.09 -0.91 0.32 0.00 -0.10 0.00 0.00 174.94 174.34 1j1h s ALA 61 N 3.28 3.36 -0.02 9.38 0.00 0.69 -4.54 121.76 133.91 1j1h s ALA 61 Ca 0.24 -2.37 -0.21 0.00 0.00 0.00 0.00 51.96 49.62 1j1h s ALA 61 Cb -0.15 -2.77 -0.26 0.00 0.00 0.00 0.00 23.12 19.93 1j1h s ALA 61 CO 0.17 -1.80 1.02 -1.00 0.00 0.00 0.00 175.76 174.15 1j1h h PRO 62 N 8.46 0.36 0.00 0.00 0.13 -1.91 -3.28 132.00 135.75 1j1h h PRO 62 Ca -0.22 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 1j1h h PRO 62 Cb 1.08 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1j1h h PRO 62 CO 0.83 1.15 0.06 0.98 -0.23 0.00 0.00 178.00 180.78 1j1h n TYR 63 N -4.19 -0.11 -2.53 1.56 4.19 -1.26 -4.83 117.16 109.99 1j1h n TYR 63 Ca -0.12 -0.22 -0.24 0.00 3.31 0.00 0.00 57.90 60.64 1j1h n TYR 63 Cb 0.72 0.74 0.04 0.00 0.49 0.00 0.00 39.34 41.34 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 2.59 -0.37 2.98 -1.05 -1.26 -5.04 118.70 116.55 1j1h s GLU 64 Ca 0.01 -0.46 0.14 0.00 -0.15 0.00 0.00 54.97 54.51 1j1h s GLU 64 Cb 0.02 -2.37 0.40 0.00 -0.44 0.00 0.00 34.13 31.74 1j1h s GLU 64 CO -0.01 -0.80 0.86 0.36 0.95 0.00 0.00 175.26 176.63 1j1h n LYS 65 N -2.51 1.34 0.00 -4.83 2.85 -1.26 -5.02 118.16 108.72 1j1h n LYS 65 Ca 0.06 -3.49 0.00 0.00 -1.05 0.00 0.00 58.31 53.84 1j1h n LYS 65 Cb 0.59 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 0.06 1.17 3.64 2.58 0.00 -1.26 -5.13 105.19 106.25 1j1h n GLY 66 Ca 0.19 0.50 -0.39 0.00 0.00 0.00 0.00 46.02 46.32 1j1h n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j1h s SER 67 N 0.00 6.47 0.00 1.61 0.15 -1.26 -4.94 113.70 115.72 1j1h s SER 67 Ca 0.00 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1j1h s SER 67 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1j1h s SER 67 CO 0.00 -0.20 0.00 -1.22 1.20 0.00 0.00 173.24 173.02 1j1h n TYR 68 N 5.06 -0.53 -2.16 3.44 4.01 -1.26 -5.04 117.16 120.68 1j1h n TYR 68 Ca -0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.28 1j1h n TYR 68 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1j1h n TYR 68 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j1h n ALA 69 N -3.00 6.58 0.00 -0.72 0.00 -1.26 -4.04 120.51 118.07 1j1h n ALA 69 Ca 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.22 1j1h n ALA 69 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1j1h n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j1h n ASN 70 N 1.37 0.00 -4.23 0.00 2.85 -1.26 -5.13 115.26 108.86 1j1h n ASN 70 Ca 0.58 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.72 1j1h n ASN 70 Cb 0.25 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.12 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1j1h s VAL 71 N 0.00 2.47 -0.29 3.44 -7.23 -1.26 -5.09 120.40 112.44 1j1h s VAL 71 Ca 0.00 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1j1h s VAL 71 Cb 0.00 -2.03 0.07 0.00 0.56 0.00 0.00 36.38 34.98 1j1h s VAL 71 CO 0.00 0.52 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.47 1j1h s ASP 72 N 0.85 4.63 0.52 4.85 1.11 -1.26 -5.02 116.67 122.35 1j1h s ASP 72 Ca -0.05 -1.62 -0.18 0.00 0.18 0.00 0.00 52.55 50.88 1j1h s ASP 72 Cb -0.15 -1.60 -0.07 0.00 1.07 0.00 0.00 42.92 42.16 1j1h s ASP 72 CO -0.01 -0.27 1.04 -2.16 1.18 0.00 0.00 175.17 174.95 1j1h s PRO 73 N 1.07 3.66 0.47 8.23 0.04 -1.26 -4.88 135.00 142.33 1j1h s PRO 73 Ca -0.02 1.27 0.37 0.00 0.04 0.00 0.00 61.00 62.66 1j1h s PRO 73 Cb -0.20 -2.08 1.56 0.00 0.04 0.00 0.00 34.50 33.82 1j1h s PRO 73 CO -0.05 -0.53 1.56 0.54 0.04 0.00 0.00 177.00 178.55 1j1h n ARG 74 N -1.36 -0.03 0.00 4.56 5.12 -1.26 -2.28 116.66 121.41 1j1h n ARG 74 Ca 0.09 1.21 0.00 0.00 -1.93 0.00 0.00 57.85 57.21 1j1h n ARG 74 Cb 0.53 -2.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 1j1h n ARG 74 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1j1h n ARG 75 N -4.49 0.00 -4.06 5.56 0.00 -1.26 -4.86 116.66 107.55 1j1h n ARG 75 Ca 0.42 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.87 1j1h n ARG 75 Cb 1.70 -0.61 -0.00 0.00 0.00 0.00 0.00 32.46 33.54 1j1h n ARG 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1j1h n LYS 76 N -0.39 -0.41 0.00 -0.14 0.00 -0.97 -4.91 118.16 111.34 1j1h n LYS 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1j1h n LYS 76 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 32.83 1j1h n LYS 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j1h n ARG 77 N -4.50 3.66 -3.44 1.64 0.63 -1.26 -5.03 116.66 108.36 1j1h n ARG 77 Ca -0.13 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.68 1j1h n ARG 77 Cb 0.51 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.32 1j1h n ARG 77 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1j1h s LYS 78 N 1.78 0.28 0.61 -0.14 -2.85 -1.26 -4.23 119.74 113.93 1j1h s LYS 78 Ca 0.00 0.48 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 1j1h s LYS 78 Cb 0.00 -0.62 -0.06 0.00 -2.06 0.00 0.00 37.83 35.09 1j1h s LYS 78 CO 0.00 -0.59 0.74 1.28 0.10 0.00 0.00 175.35 176.88 1j1h n LEU 79 N 5.35 2.28 -4.37 2.77 4.32 -0.81 -4.81 117.00 121.74 1j1h n LEU 79 Ca -0.05 0.75 -0.34 0.00 -0.02 0.00 0.00 56.01 56.34 1j1h n LEU 79 Cb 0.50 -1.29 -0.14 0.00 -1.62 0.00 0.00 43.42 40.88 1j1h n LEU 79 CO 0.06 -2.48 -0.38 -0.76 -1.22 0.00 0.00 177.39 172.61 1j1h s LEU 80 N -0.83 2.96 -0.03 2.23 1.43 -1.25 -3.42 118.68 119.77 1j1h s LEU 80 Ca 0.72 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1j1h s LEU 80 Cb -0.42 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1j1h s LEU 80 CO 0.51 0.05 -0.25 -0.76 0.23 0.00 0.00 176.35 176.13 1j1h s LEU 81 N 1.05 2.14 0.14 1.79 1.43 -1.26 -1.05 118.68 122.91 1j1h s LEU 81 Ca 0.01 -0.44 -0.35 0.00 -1.03 0.00 0.00 54.13 52.32 1j1h s LEU 81 Cb -0.15 -1.37 -0.15 0.00 0.03 0.00 0.00 46.19 44.56 1j1h s LEU 81 CO -0.00 0.32 1.43 1.41 0.23 0.00 0.00 176.35 179.74 1j1h n HIS 82 N 2.45 1.89 -0.07 0.29 8.25 -1.26 -4.65 115.22 122.11 1j1h n HIS 82 Ca -0.16 0.46 0.07 0.00 -0.26 0.00 0.00 57.72 57.83 1j1h n HIS 82 Cb 0.51 -2.43 0.42 0.00 1.12 0.00 0.00 29.99 29.61 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 5.00 0.56 -0.67 -0.41 3.11 -1.93 0.16 116.57 122.39 1j1h h LYS 83 Ca -0.46 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.37 1j1h h LYS 83 Cb 1.30 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.36 1j1h h LYS 83 CO 0.82 0.37 0.44 1.25 -2.81 0.00 0.00 179.45 179.52 1j1h h HIS 84 N 0.58 0.80 -0.11 1.91 2.76 -1.94 -1.49 115.15 117.65 1j1h h HIS 84 Ca 0.23 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.25 1j1h h HIS 84 Cb 0.18 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1j1h h HIS 84 CO -0.00 0.48 -0.65 0.93 -1.30 0.00 0.00 177.93 177.38 1j1h h GLU 85 N 0.84 0.43 0.08 5.26 4.39 -1.07 -2.97 114.58 121.54 1j1h h GLU 85 Ca 0.26 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1j1h h GLU 85 Cb 0.02 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1j1h h GLU 85 CO -0.07 0.93 -0.07 1.25 -1.16 0.00 0.00 179.01 179.90 1j1h h LEU 86 N 0.31 -0.17 -0.38 1.33 5.85 -0.10 -3.01 115.31 119.13 1j1h h LEU 86 Ca -0.01 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1j1h h LEU 86 Cb 1.20 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1j1h h LEU 86 CO 0.11 -0.11 -0.81 -0.09 -0.34 0.00 0.00 178.44 177.20 1j1h h ARG 87 N -0.16 0.09 -0.03 1.25 2.43 -1.63 -3.20 114.38 113.14 1j1h h ARG 87 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1j1h h ARG 87 Cb 0.15 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1j1h h ARG 87 CO -0.01 0.85 -0.03 -0.09 -1.51 0.00 0.00 179.97 179.18 1j1h h ARG 88 N 0.06 0.08 -0.01 0.20 9.65 -1.45 0.54 114.38 123.44 1j1h h ARG 88 Ca -0.02 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.71 1j1h h ARG 88 Cb 1.42 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 30.01 1j1h h ARG 88 CO 0.11 0.55 -0.41 1.25 2.80 0.00 0.00 179.97 184.27 1j1h h LEU 89 N -0.37 0.38 -1.28 3.80 7.12 -1.70 -3.13 115.31 120.14 1j1h h LEU 89 Ca 0.01 -0.75 -0.07 0.00 0.13 0.00 0.00 57.88 57.20 1j1h h LEU 89 Cb 0.53 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1j1h h LEU 89 CO 0.01 1.08 -0.31 0.25 -0.13 0.00 0.00 178.44 179.33 1j1h h LEU 90 N -0.28 0.00 -2.80 2.25 7.12 -1.67 -2.98 115.31 116.95 1j1h h LEU 90 Ca -0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1j1h h LEU 90 Cb 1.13 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1j1h h LEU 90 CO 0.08 0.31 0.01 1.23 -0.13 0.00 0.00 178.44 179.95 1j1h h GLY 91 N 1.46 0.00 1.18 3.75 0.00 0.16 -2.91 103.07 106.71 1j1h h GLY 91 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1j1h h GLY 91 CO 0.04 0.00 -1.45 0.50 0.00 0.00 0.00 176.54 175.63 1j1h h LYS 92 N 0.00 0.00 0.00 4.80 6.56 -1.63 -3.36 116.57 122.94 1j1h h LYS 92 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1j1h h LYS 92 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1j1h h LYS 92 CO -0.00 0.49 0.00 1.33 -2.06 0.00 0.00 179.45 179.21 1j1h n VAL 93 N -3.05 1.36 0.12 0.50 0.24 -1.10 -3.44 118.33 112.97 1j1h n VAL 93 Ca -0.11 0.64 0.05 0.00 -2.04 0.00 0.00 64.34 62.87 1j1h n VAL 93 Cb 0.95 -1.63 0.26 0.00 -1.47 0.00 0.00 33.84 31.95 1j1h n VAL 93 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1j1h n GLU 94 N -1.99 0.07 0.00 7.34 0.00 -1.26 -3.96 120.64 120.84 1j1h n GLU 94 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.65 1j1h n GLU 94 Cb 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.48 1j1h n GLU 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1j1h n GLN 95 N -1.84 0.00 0.00 5.31 6.02 -1.22 -4.99 117.38 120.65 1j1h n GLN 95 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1j1h n GLN 95 Cb 0.29 -0.12 0.00 0.00 1.02 0.00 0.00 30.24 31.43 1j1h n GLN 95 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1j1h n LYS 96 N 0.00 0.00 0.00 -1.09 4.76 -1.25 -4.95 118.16 115.62 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j1h n GLY 97 N 0.00 3.20 3.96 0.72 0.00 -1.26 -4.82 105.19 106.98 1j1h n GLY 97 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1j1h n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j1h s LEU 98 N 0.00 4.24 0.00 0.99 0.05 -1.26 -4.34 118.68 118.35 1j1h s LEU 98 Ca 0.00 0.21 0.01 0.00 0.05 0.00 0.00 54.13 54.39 1j1h s LEU 98 Cb 0.00 -3.01 -0.00 0.00 -2.05 0.00 0.00 46.19 41.13 1j1h s LEU 98 CO 0.00 -0.11 0.23 0.41 -0.55 0.00 0.00 176.35 176.33 1j1h n THR 99 N -1.33 0.00 -4.39 5.48 -1.04 -1.22 -4.94 114.28 106.84 1j1h n THR 99 Ca -0.07 -1.08 -0.34 0.00 -2.04 0.00 0.00 64.05 60.52 1j1h n THR 99 Cb 0.56 0.62 -0.15 0.00 -1.82 0.00 0.00 70.33 69.54 1j1h n THR 99 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1j1h s LEU 100 N 0.00 2.61 -0.09 -4.42 2.01 -1.26 -3.52 118.68 114.01 1j1h s LEU 100 Ca 0.18 -0.43 -0.04 0.00 0.01 0.00 0.00 54.13 53.85 1j1h s LEU 100 Cb -0.00 -1.61 0.05 0.00 0.01 0.00 0.00 46.19 44.64 1j1h s LEU 100 CO 0.13 0.07 0.19 0.54 1.01 0.00 0.00 176.35 178.28 1j1h s VAL 101 N 0.91 -0.27 -1.22 -1.59 0.11 -1.26 -2.52 120.40 114.56 1j1h s VAL 101 Ca -0.03 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 1j1h s VAL 101 Cb -0.15 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1j1h s VAL 101 CO -0.01 0.13 1.86 -2.16 -3.33 0.00 0.00 175.10 171.59 1j1h s PRO 102 N 2.18 3.06 0.46 1.54 0.04 -1.26 -1.55 135.00 139.47 1j1h s PRO 102 Ca 0.01 -1.47 0.24 0.00 0.04 0.00 0.00 61.00 59.82 1j1h s PRO 102 Cb -0.12 -5.35 1.07 0.00 0.04 0.00 0.00 34.50 30.14 1j1h s PRO 102 CO -0.07 -3.33 1.91 -0.07 0.04 0.00 0.00 177.00 175.48 1j1h h LEU 103 N 15.79 0.00 -8.16 -3.56 3.38 -1.76 -3.42 115.31 117.57 1j1h h LEU 103 Ca 0.30 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.60 1j1h h LEU 103 Cb 0.91 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.33 1j1h h LEU 103 CO 1.31 0.22 -0.85 -0.54 0.09 0.00 0.00 178.44 178.67 1j1h s LYS 104 N -3.88 3.05 -0.18 1.13 1.02 -0.95 -0.09 119.74 119.84 1j1h s LYS 104 Ca -0.01 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1j1h s LYS 104 Cb 0.12 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1j1h s LYS 104 CO 0.63 -0.12 -0.16 0.42 -0.92 0.00 0.00 175.35 175.19 1j1h s ILE 105 N 1.11 1.85 0.03 2.17 1.01 -1.26 -2.06 121.20 124.05 1j1h s ILE 105 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.84 1j1h s ILE 105 Cb -0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1j1h s ILE 105 CO -0.08 0.42 -0.26 -0.31 0.00 0.00 0.00 174.94 174.72 1j1h s TYR 106 N 1.35 2.28 0.08 3.97 1.51 -0.05 -4.04 117.35 122.45 1j1h s TYR 106 Ca 0.03 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1j1h s TYR 106 Cb -0.14 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1j1h s TYR 106 CO -0.11 0.08 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.26 1j1h s PHE 107 N -0.75 0.92 -0.06 2.71 0.40 -1.26 -0.72 117.98 119.22 1j1h s PHE 107 Ca 0.11 -0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 55.65 1j1h s PHE 107 Cb -0.10 -0.52 0.04 0.00 0.51 0.00 0.00 43.02 42.94 1j1h s PHE 107 CO 0.01 -0.04 0.40 -0.80 0.70 0.00 0.00 175.22 175.48 1j1h s ASN 108 N -2.16 -0.33 0.10 1.36 0.01 -0.49 -4.89 114.94 108.55 1j1h s ASN 108 Ca 0.00 0.40 0.10 0.00 -0.71 0.00 0.00 52.86 52.65 1j1h s ASN 108 Cb -0.05 0.50 0.49 0.00 0.41 0.00 0.00 41.25 42.60 1j1h s ASN 108 CO -0.00 -0.38 1.31 -1.84 -1.51 0.00 0.00 177.10 174.67 1j1h n GLU 109 N 1.68 0.05 -0.13 -0.60 0.28 -1.26 -2.09 120.64 118.58 1j1h n GLU 109 Ca -0.19 0.48 0.01 0.00 -0.16 0.00 0.00 57.16 57.31 1j1h n GLU 109 Cb 0.56 -1.65 0.06 0.00 1.43 0.00 0.00 31.44 31.85 1j1h n GLU 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1j1h n ARG 110 N -1.75 1.56 -2.23 3.44 3.00 -1.26 -4.77 116.66 114.65 1j1h n ARG 110 Ca 0.00 -0.49 -0.13 0.00 -0.01 0.00 0.00 57.85 57.22 1j1h n ARG 110 Cb 0.06 -1.52 -0.01 0.00 0.00 0.00 0.00 32.46 30.99 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 -0.13 3.03 -0.13 0.00 -0.89 -4.96 105.19 102.32 1j1h n GLY 111 Ca 0.04 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.66 3.48 -0.05 1.61 1.51 -1.19 -4.36 117.35 115.70 1j1h s TYR 112 Ca 0.00 -2.66 0.05 0.00 -1.01 0.00 0.00 57.07 53.45 1j1h s TYR 112 Cb 0.00 -2.43 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1j1h s TYR 112 CO 0.00 -0.91 -0.19 0.00 -1.11 0.00 0.00 175.55 173.33 1j1h s ALA 113 N 1.01 1.70 -0.18 3.71 0.00 0.29 -1.39 121.76 126.90 1j1h s ALA 113 Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 1j1h s ALA 113 Cb -0.19 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1j1h s ALA 113 CO -0.07 0.32 0.12 0.15 0.00 0.00 0.00 175.76 176.28 1j1h s LYS 114 N -0.02 4.02 -0.11 0.00 -0.14 0.10 -1.57 119.74 122.02 1j1h s LYS 114 Ca -0.04 -0.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 1j1h s LYS 114 Cb -0.12 -3.35 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 1j1h s LYS 114 CO 0.03 0.38 -0.11 0.08 -0.76 0.00 0.00 175.35 174.97 1j1h s VAL 115 N 0.11 1.21 -0.21 3.17 1.01 -1.22 -0.88 120.40 123.59 1j1h s VAL 115 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1j1h s VAL 115 Cb -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1j1h s VAL 115 CO -0.01 0.39 -0.11 -0.22 0.00 0.00 0.00 175.10 175.16 1j1h s LEU 116 N 1.41 2.69 0.03 3.92 2.96 -0.88 -1.56 118.68 127.25 1j1h s LEU 116 Ca 0.00 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1j1h s LEU 116 Cb -0.13 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1j1h s LEU 116 CO -0.06 -0.04 0.24 -0.22 -1.32 0.00 0.00 176.35 174.94 1j1h s LEU 117 N 1.36 4.35 -0.23 -0.68 0.20 -0.77 -2.06 118.68 120.85 1j1h s LEU 117 Ca 0.04 0.42 0.01 0.00 0.69 0.00 0.00 54.13 55.29 1j1h s LEU 117 Cb -0.15 -2.80 0.05 0.00 -0.43 0.00 0.00 46.19 42.87 1j1h s LEU 117 CO -0.07 0.21 -0.08 -0.83 -0.29 0.00 0.00 176.35 175.29 1j1h s GLY 118 N -2.06 1.34 -0.32 7.98 0.00 -0.59 -2.76 107.32 110.92 1j1h s GLY 118 Ca 0.31 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.36 1j1h s GLY 118 CO 0.21 0.80 1.10 -2.27 0.00 0.00 0.00 173.10 172.94 1j1h s LEU 119 N 1.35 3.93 -0.15 0.66 2.96 0.01 -4.10 118.68 123.34 1j1h s LEU 119 Ca -0.05 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1j1h s LEU 119 Cb -0.18 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1j1h s LEU 119 CO -0.07 -0.90 -0.02 0.00 -1.32 0.00 0.00 176.35 174.04 1j1h s ALA 120 N 3.73 3.07 -0.42 5.97 0.00 -1.23 -0.21 121.76 132.68 1j1h s ALA 120 Ca 0.47 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1j1h s ALA 120 Cb -0.13 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1j1h s ALA 120 CO 0.16 0.27 0.54 -0.98 0.00 0.00 0.00 175.76 175.75 1j1h s ARG 121 N 0.16 3.25 0.54 0.00 1.70 -1.26 -3.44 118.95 119.90 1j1h s ARG 121 Ca -0.01 -0.51 0.32 0.00 -0.47 0.00 0.00 55.73 55.06 1j1h s ARG 121 Cb -0.13 -3.94 1.72 0.00 -0.57 0.00 0.00 34.95 32.02 1j1h s ARG 121 CO 0.02 -0.90 1.95 0.78 -1.08 0.00 0.00 175.30 176.08 1j1h h GLY 122 N 9.35 0.00 0.00 3.88 0.00 -1.88 -3.49 103.07 110.93 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 0.84 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.66