#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h h ALA 2 N 0.00 -0.02 -3.21 3.04 0.00 -1.98 -3.46 119.26 113.63 1j1h h ALA 2 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1j1h h ALA 2 Cb 0.00 0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1j1h h ALA 2 CO 0.00 -0.21 0.10 -0.35 0.00 0.00 0.00 179.25 178.79 1j1h n PRO 3 N -4.81 -0.47 0.00 0.00 -0.04 -1.25 -4.74 135.00 123.68 1j1h n PRO 3 Ca -0.09 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1j1h n PRO 3 Cb 0.30 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 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 -2.55 0.00 -4.21 0.52 0.24 0.44 -4.85 118.33 107.91 1j1h n VAL 4 Ca 0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.23 1j1h n VAL 4 Cb 0.15 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 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 -4.03 1.34 4.77 -0.70 -4.58 117.00 113.79 1j1h n LEU 5 Ca 0.00 -1.46 -0.09 0.00 -0.03 0.00 0.00 56.01 54.42 1j1h n LEU 5 Cb 0.00 0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1j1h n LEU 5 CO 0.00 -0.23 -0.37 -1.83 -1.33 0.00 0.00 177.39 173.63 1j1h s GLU 6 N -2.71 0.46 -1.17 3.23 -1.05 -1.26 -4.16 118.70 112.04 1j1h s GLU 6 Ca 0.12 -0.82 -0.15 0.00 -0.15 0.00 0.00 54.97 53.96 1j1h s GLU 6 Cb 0.01 0.03 0.16 0.00 -0.44 0.00 0.00 34.13 33.88 1j1h s GLU 6 CO 0.08 -0.04 1.41 0.54 0.95 0.00 0.00 175.26 178.20 1j1h s ASN 7 N -1.91 6.98 0.10 0.83 4.22 0.32 -4.58 114.94 120.91 1j1h s ASN 7 Ca -0.08 -2.80 -0.11 0.00 -2.14 0.00 0.00 52.86 47.74 1j1h s ASN 7 Cb -0.05 -2.42 -0.16 0.00 1.28 0.00 0.00 41.25 39.90 1j1h s ASN 7 CO -0.03 -0.83 1.26 -0.09 -2.04 0.00 0.00 177.10 175.37 1j1h h ARG 8 N 7.46 0.65 -0.22 3.55 2.43 -1.78 -3.05 114.38 123.42 1j1h h ARG 8 Ca 0.30 -0.64 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1j1h h ARG 8 Cb 0.90 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1j1h h ARG 8 CO 1.24 1.24 -0.02 -0.09 -1.51 0.00 0.00 179.97 180.83 1j1h h ARG 9 N 0.39 0.32 0.05 0.20 2.43 -1.87 0.64 114.38 116.54 1j1h h ARG 9 Ca -0.09 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.72 1j1h h ARG 9 Cb 1.57 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.04 1j1h h ARG 9 CO 0.18 0.37 -1.66 0.00 -1.51 0.00 0.00 179.97 177.35 1j1h n ALA 10 N -2.49 0.86 0.17 2.80 0.00 -1.25 -0.14 120.51 120.46 1j1h n ALA 10 Ca 0.00 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.90 1j1h n ALA 10 Cb 0.21 -0.56 0.29 0.00 0.00 0.00 0.00 19.45 19.38 1j1h n ALA 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j1h h ARG 11 N -0.54 0.00 0.05 0.00 9.65 -1.60 -2.00 114.38 119.94 1j1h h ARG 11 Ca -0.41 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.10 1j1h h ARG 11 Cb 1.63 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.17 1j1h h ARG 11 CO -0.10 0.46 -2.20 1.58 2.80 0.00 0.00 179.97 182.51 1j1h n HIS 12 N -3.70 0.62 -0.04 2.20 -0.00 0.21 -4.80 115.22 109.71 1j1h n HIS 12 Ca -0.01 0.14 -0.05 0.00 0.46 0.00 0.00 57.72 58.27 1j1h n HIS 12 Cb 0.53 -1.08 -0.05 0.00 -0.12 0.00 0.00 29.99 29.27 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 -3.50 3.25 -3.80 0.26 -0.08 0.75 -5.01 116.55 108.42 1j1h n ASP 13 Ca -0.40 -0.02 -0.10 0.00 -1.51 0.00 0.00 54.79 52.76 1j1h n ASP 13 Cb 0.99 0.28 -0.08 0.00 2.34 0.00 0.00 41.12 44.66 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 0.01 -0.12 -0.67 6.14 0.80 -4.92 117.35 116.40 1j1h s TYR 14 Ca -0.08 -0.25 -0.25 0.00 0.64 0.00 0.00 57.07 57.13 1j1h s TYR 14 Cb 0.03 0.02 -0.02 0.00 0.42 0.00 0.00 41.96 42.41 1j1h s TYR 14 CO 0.26 -0.50 0.80 -2.00 0.64 0.00 0.00 175.55 174.75 1j1h s GLU 15 N -2.92 4.36 -0.20 4.97 2.12 -1.26 -4.12 118.70 121.64 1j1h s GLU 15 Ca -0.02 1.00 -0.25 0.00 0.36 0.00 0.00 54.97 56.05 1j1h s GLU 15 Cb 0.01 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1j1h s GLU 15 CO -0.06 -0.17 0.84 0.42 -0.54 0.00 0.00 175.26 175.75 1j1h s ILE 16 N 1.59 4.85 0.00 -3.70 -1.09 -1.26 -4.43 121.20 117.16 1j1h s ILE 16 Ca 0.39 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1j1h s ILE 16 Cb -0.17 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 1j1h s ILE 16 CO 0.16 -0.03 0.55 -0.11 -1.23 0.00 0.00 174.94 174.28 1j1h n LEU 17 N 5.63 0.32 -4.66 2.97 0.00 0.13 -4.86 117.00 116.53 1j1h n LEU 17 Ca 0.05 0.67 -0.33 0.00 0.00 0.00 0.00 56.01 56.41 1j1h n LEU 17 Cb 0.48 -0.35 -0.09 0.00 0.00 0.00 0.00 43.42 43.46 1j1h n LEU 17 CO 0.48 -0.35 -0.34 -1.61 0.00 0.00 0.00 177.39 175.58 1j1h s GLU 18 N -1.80 2.75 0.06 1.96 0.41 -1.22 -4.91 118.70 115.95 1j1h s GLU 18 Ca 0.00 -0.62 0.02 0.00 -0.41 0.00 0.00 54.97 53.96 1j1h s GLU 18 Cb 0.00 -2.64 -0.03 0.00 -1.78 0.00 0.00 34.13 29.68 1j1h s GLU 18 CO 0.00 0.63 -0.08 0.95 -0.49 0.00 0.00 175.26 176.27 1j1h s THR 19 N -1.04 0.61 0.19 3.63 -4.23 -1.25 -0.96 115.64 112.59 1j1h s THR 19 Ca 0.18 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1j1h s THR 19 Cb -0.11 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1j1h s THR 19 CO 0.09 -0.56 -0.16 -0.72 -0.54 0.00 0.00 174.62 172.73 1j1h s TYR 20 N -2.20 1.76 -0.30 3.99 -0.85 -1.21 -4.37 117.35 114.17 1j1h s TYR 20 Ca -0.02 -0.53 -0.04 0.00 -0.52 0.00 0.00 57.07 55.97 1j1h s TYR 20 Cb -0.04 -0.84 0.04 0.00 0.38 0.00 0.00 41.96 41.50 1j1h s TYR 20 CO -0.01 0.36 0.03 -2.00 -1.52 0.00 0.00 175.55 172.40 1j1h s GLU 21 N -3.32 2.66 0.36 -3.49 2.12 -1.26 -2.62 118.70 113.16 1j1h s GLU 21 Ca 0.20 -1.12 0.08 0.00 0.36 0.00 0.00 54.97 54.49 1j1h s GLU 21 Cb -0.03 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 1j1h s GLU 21 CO 0.07 -0.56 0.03 0.00 -0.54 0.00 0.00 175.26 174.27 1j1h s ALA 22 N 1.34 3.25 -0.29 6.30 0.00 -0.68 -4.53 121.76 127.16 1j1h s ALA 22 Ca -0.02 -2.05 -0.00 0.00 0.00 0.00 0.00 51.96 49.88 1j1h s ALA 22 Cb -0.19 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.76 1j1h s ALA 22 CO -0.00 -0.00 0.07 0.20 0.00 0.00 0.00 175.76 176.02 1j1h s GLY 23 N -3.74 1.16 -0.35 0.00 0.00 -0.62 -2.37 107.32 101.40 1j1h s GLY 23 Ca 0.36 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 1j1h s GLY 23 CO 0.19 1.43 0.38 -0.42 0.00 0.00 0.00 173.10 174.69 1j1h s ILE 24 N 1.54 5.15 0.47 0.90 1.09 -0.11 -3.97 121.20 126.28 1j1h s ILE 24 Ca 0.07 0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.67 1j1h s ILE 24 Cb -0.18 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 1j1h s ILE 24 CO -0.19 -0.11 0.70 0.00 -0.10 0.00 0.00 174.94 175.23 1j1h s ALA 25 N 2.05 3.77 0.18 9.38 0.00 -1.26 -1.50 121.76 134.38 1j1h s ALA 25 Ca 0.12 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 51.09 1j1h s ALA 25 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1j1h s ALA 25 CO 0.12 -0.47 -0.23 -0.51 0.00 0.00 0.00 175.76 174.68 1j1h s LEU 26 N -4.61 2.42 0.00 0.00 1.02 -1.26 -4.97 118.68 111.28 1j1h s LEU 26 Ca 0.50 -0.85 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 1j1h s LEU 26 Cb -0.10 -1.08 0.12 0.00 0.02 0.00 0.00 46.19 45.15 1j1h s LEU 26 CO 0.38 0.08 0.66 2.29 0.02 0.00 0.00 176.35 179.79 1j1h n LYS 27 N 0.34 -0.77 -0.10 1.70 2.85 -1.26 -4.70 118.16 116.22 1j1h n LYS 27 Ca -0.13 -1.02 -0.07 0.00 -1.05 0.00 0.00 58.31 56.03 1j1h n LYS 27 Cb 0.56 -0.70 0.00 0.00 -0.65 0.00 0.00 35.03 34.24 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1j1h h GLY 28 N -0.94 0.46 0.97 2.58 0.00 -2.01 -2.75 103.07 101.39 1j1h h GLY 28 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1j1h h GLY 28 CO 0.15 0.09 -0.55 -1.30 0.00 0.00 0.00 176.54 174.93 1j1h n THR 29 N -4.95 0.05 0.09 4.70 -2.24 -1.26 -3.86 114.28 106.81 1j1h n THR 29 Ca 0.00 -0.04 0.17 0.00 -2.27 0.00 0.00 64.05 61.91 1j1h n THR 29 Cb 0.08 0.22 0.69 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.00 -0.05 -0.78 5.08 -1.81 0.59 114.58 117.60 1j1h h GLU 30 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1j1h h GLU 30 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1j1h h GLU 30 CO 0.00 0.00 -0.56 -0.39 -1.00 0.00 0.00 179.01 177.06 1j1h h VAL 31 N 0.00 1.38 -0.09 3.13 -1.51 -1.67 0.85 116.25 118.34 1j1h h VAL 31 Ca 0.17 -1.89 -0.05 0.00 -1.23 0.00 0.00 66.70 63.70 1j1h h VAL 31 Cb 0.70 1.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 1j1h h VAL 31 CO -0.00 0.55 -0.15 0.11 -1.23 0.00 0.00 177.57 176.86 1j1h h LYS 32 N 0.12 0.26 -0.19 5.19 1.57 -1.14 0.53 116.57 122.92 1j1h h LYS 32 Ca -0.00 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1j1h h LYS 32 Cb 1.02 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1j1h h LYS 32 CO 0.08 0.73 -0.59 0.77 -0.57 0.00 0.00 179.45 179.87 1j1h h SER 33 N -0.20 0.70 0.08 0.86 0.02 -1.45 0.60 113.55 114.17 1j1h h SER 33 Ca 0.01 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1j1h h SER 33 Cb 0.71 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1j1h h SER 33 CO 0.03 1.13 -0.04 0.25 -1.14 0.00 0.00 176.83 177.07 1j1h h LEU 34 N 0.47 -0.09 -1.28 5.07 5.85 0.73 1.94 115.31 127.99 1j1h h LEU 34 Ca -0.00 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1j1h h LEU 34 Cb 1.16 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1j1h h LEU 34 CO 0.11 0.58 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.46 1j1h h ARG 35 N -0.90 0.00 -0.31 1.25 2.43 -0.02 -1.91 114.38 114.92 1j1h h ARG 35 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1j1h h ARG 35 Cb 0.58 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1j1h h ARG 35 CO 0.02 0.24 -0.03 0.00 -1.51 0.00 0.00 179.97 178.69 1j1h n ALA 36 N -2.26 3.70 -2.48 2.80 0.00 0.21 -0.42 120.51 122.06 1j1h n ALA 36 Ca -0.01 -2.78 -0.37 0.00 0.00 0.00 0.00 53.44 50.29 1j1h n ALA 36 Cb 0.40 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.29 2.47 -0.33 0.00 0.00 0.66 -4.73 107.32 103.11 1j1h s GLY 37 Ca 0.43 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 1j1h s GLY 37 CO 0.04 0.12 0.17 1.25 0.00 0.00 0.00 173.10 174.68 1j1h s LYS 38 N -1.34 3.22 0.24 2.90 2.47 -0.93 -4.40 119.74 121.91 1j1h s LYS 38 Ca 0.28 -0.80 0.11 0.00 -1.56 0.00 0.00 55.97 53.99 1j1h s LYS 38 Cb -0.16 -3.62 -0.05 0.00 -1.46 0.00 0.00 37.83 32.54 1j1h s LYS 38 CO 0.15 -0.49 -0.20 0.08 0.16 0.00 0.00 175.35 175.06 1j1h s VAL 39 N 1.61 2.29 -0.48 4.02 1.01 -1.26 -1.09 120.40 126.50 1j1h s VAL 39 Ca 0.04 -2.28 -0.21 0.00 0.00 0.00 0.00 61.98 59.53 1j1h s VAL 39 Cb -0.18 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1j1h s VAL 39 CO 0.07 -0.38 0.71 -0.62 0.00 0.00 0.00 175.10 174.88 1j1h s ASP 40 N -3.27 6.32 -0.37 3.32 2.15 -1.16 -4.88 116.67 118.77 1j1h s ASP 40 Ca 0.26 -0.44 -0.13 0.00 0.43 0.00 0.00 52.55 52.67 1j1h s ASP 40 Cb -0.05 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 1j1h s ASP 40 CO 0.12 -0.90 0.25 -0.36 -0.17 0.00 0.00 175.17 174.11 1j1h s PHE 41 N 3.04 3.23 0.00 -5.34 0.40 -1.26 -4.44 117.98 113.61 1j1h s PHE 41 Ca 0.23 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1j1h s PHE 41 Cb -0.15 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 40.87 1j1h s PHE 41 CO 0.18 -0.52 0.00 -2.37 0.70 0.00 0.00 175.22 173.21 1j1h n THR 42 N 5.10 0.00 -3.02 0.64 5.66 -1.26 -4.12 114.28 117.28 1j1h n THR 42 Ca -0.12 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.70 1j1h n THR 42 Cb 0.48 0.00 -0.01 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 -1.84 -0.49 4.00 1.09 0.00 -1.26 -4.88 105.19 101.80 1j1h n GLY 43 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1j1h n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1h s SER 44 N -2.44 5.65 0.05 1.61 1.04 -1.26 -4.87 113.70 113.49 1j1h s SER 44 Ca 0.24 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 1j1h s SER 44 Cb -0.13 -0.86 0.01 0.00 0.10 0.00 0.00 66.02 65.13 1j1h s SER 44 CO 0.30 -0.77 0.23 -0.36 0.98 0.00 0.00 173.24 173.62 1j1h s PHE 45 N -2.41 0.02 0.03 5.02 0.08 -1.26 -4.71 117.98 114.75 1j1h s PHE 45 Ca 0.53 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.33 1j1h s PHE 45 Cb -0.10 0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1j1h s PHE 45 CO 0.34 -0.48 -0.05 0.00 -0.10 0.00 0.00 175.22 174.93 1j1h s ALA 46 N -2.86 0.28 -0.16 5.36 0.00 -1.25 -0.55 121.76 122.58 1j1h s ALA 46 Ca -0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1j1h s ALA 46 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1j1h s ALA 46 CO -0.05 -0.10 -0.03 0.50 0.00 0.00 0.00 175.76 176.08 1j1h s ARG 47 N -1.39 3.70 -0.36 0.00 6.06 -0.21 -4.87 118.95 121.88 1j1h s ARG 47 Ca -0.13 -0.51 -0.03 0.00 -2.50 0.00 0.00 55.73 52.57 1j1h s ARG 47 Cb -0.09 -2.94 0.08 0.00 0.06 0.00 0.00 34.95 32.06 1j1h s ARG 47 CO -0.00 0.25 0.11 -0.06 -2.50 0.00 0.00 175.30 173.10 1j1h s PHE 48 N 0.35 3.43 -0.31 5.12 0.08 -1.26 -1.45 117.98 123.95 1j1h s PHE 48 Ca -0.04 -2.09 0.10 0.00 0.12 0.00 0.00 56.93 55.03 1j1h s PHE 48 Cb -0.14 -2.68 0.69 0.00 -0.57 0.00 0.00 43.02 40.32 1j1h s PHE 48 CO 0.03 -0.88 1.73 0.39 -0.10 0.00 0.00 175.22 176.39 1j1h n GLU 49 N 4.63 3.35 -2.64 0.44 -0.58 -1.00 -4.99 120.64 119.86 1j1h n GLU 49 Ca -0.08 -3.07 -0.04 0.00 -0.42 0.00 0.00 57.16 53.55 1j1h n GLU 49 Cb 0.43 -2.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.13 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j1h n ASP 50 N -0.36 -2.52 0.00 1.62 9.92 -1.26 -4.25 116.55 119.70 1j1h n ASP 50 Ca 0.39 1.34 0.00 0.00 -0.53 0.00 0.00 54.79 55.99 1j1h n ASP 50 Cb 1.31 -4.57 0.00 0.00 -0.64 0.00 0.00 41.12 37.22 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 1.89 1.72 2.91 0.44 0.00 -1.26 -4.78 105.19 106.12 1j1h n GLY 51 Ca -0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.89 1.53 -0.53 1.61 0.41 -1.25 -3.97 118.70 115.61 1j1h s GLU 52 Ca 0.00 -0.55 -0.09 0.00 -0.41 0.00 0.00 54.97 53.92 1j1h s GLU 52 Cb 0.00 -2.04 0.14 0.00 -1.78 0.00 0.00 34.13 30.44 1j1h s GLU 52 CO 0.00 -0.42 0.40 -1.17 -0.49 0.00 0.00 175.26 173.58 1j1h s LEU 53 N 1.60 5.75 -0.05 1.80 2.96 -1.15 -2.37 118.68 127.23 1j1h s LEU 53 Ca 0.01 -2.12 -0.21 0.00 -0.22 0.00 0.00 54.13 51.58 1j1h s LEU 53 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1j1h s LEU 53 CO -0.08 -0.64 0.62 -0.31 -1.32 0.00 0.00 176.35 174.62 1j1h s TYR 54 N 1.04 3.61 0.36 5.38 2.02 -0.52 0.80 117.35 130.04 1j1h s TYR 54 Ca 0.09 1.17 -0.28 0.00 -0.37 0.00 0.00 57.07 57.67 1j1h s TYR 54 Cb -0.24 -2.68 -0.10 0.00 -0.40 0.00 0.00 41.96 38.54 1j1h s TYR 54 CO -0.02 0.21 1.37 -0.51 -1.57 0.00 0.00 175.55 175.03 1j1h s LEU 55 N 0.37 4.35 0.00 -1.29 1.43 -1.26 -1.05 118.68 121.23 1j1h s LEU 55 Ca 0.33 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 1j1h s LEU 55 Cb -0.17 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1j1h s LEU 55 CO 0.16 -0.72 0.00 1.21 0.23 0.00 0.00 176.35 177.24 1j1h n GLU 56 N 0.54 0.00 -0.09 1.70 2.13 0.29 -4.42 120.64 120.78 1j1h n GLU 56 Ca 0.01 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.87 1j1h n GLU 56 Cb 0.41 -0.28 0.08 0.00 0.27 0.00 0.00 31.44 31.93 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 -2.57 2.46 -4.37 4.31 2.85 -0.46 -4.79 115.26 112.69 1j1h n ASN 57 Ca 0.00 -2.26 -0.45 0.00 -0.11 0.00 0.00 54.58 51.77 1j1h n ASN 57 Cb 0.20 -0.17 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1j1h s LEU 58 N -1.45 5.53 -0.26 1.20 2.01 -1.26 -4.34 118.68 120.11 1j1h s LEU 58 Ca 0.15 -1.43 -0.18 0.00 0.01 0.00 0.00 54.13 52.67 1j1h s LEU 58 Cb 0.10 -2.29 -0.03 0.00 0.01 0.00 0.00 46.19 43.99 1j1h s LEU 58 CO 0.05 -0.99 0.53 -0.31 1.01 0.00 0.00 176.35 176.64 1j1h s TYR 59 N 2.35 3.27 -0.40 0.29 2.02 -1.26 -4.86 117.35 118.76 1j1h s TYR 59 Ca 0.09 0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 57.20 1j1h s TYR 59 Cb -0.25 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1j1h s TYR 59 CO 0.06 -0.29 0.84 0.42 -1.57 0.00 0.00 175.55 175.01 1j1h s ILE 60 N 2.34 4.64 -0.44 2.71 1.09 -1.26 -2.96 121.20 127.31 1j1h s ILE 60 Ca 0.22 0.84 -0.08 0.00 -1.10 0.00 0.00 60.65 60.53 1j1h s ILE 60 Cb -0.16 -4.30 0.11 0.00 -1.06 0.00 0.00 42.46 37.06 1j1h s ILE 60 CO 0.09 -0.58 0.29 0.00 -0.10 0.00 0.00 174.94 174.65 1j1h s ALA 61 N 3.33 3.31 0.00 9.38 0.00 -0.25 -4.63 121.76 132.91 1j1h s ALA 61 Ca 0.33 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1j1h s ALA 61 Cb -0.12 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1j1h s ALA 61 CO 0.20 -1.82 0.02 -0.35 0.00 0.00 0.00 175.76 173.81 1j1h n PRO 62 N 4.84 0.00 -2.83 0.00 -0.04 -1.26 -2.19 135.00 133.52 1j1h n PRO 62 Ca -0.07 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1j1h n PRO 62 Cb 0.41 -0.89 0.06 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.62 -2.24 -3.68 0.54 4.01 -1.26 -4.65 117.16 108.26 1j1h n TYR 63 Ca 0.00 -2.49 -0.28 0.00 -0.16 0.00 0.00 57.90 54.98 1j1h n TYR 63 Cb 0.00 1.20 -0.16 0.00 -0.31 0.00 0.00 39.34 40.07 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 -0.30 0.47 -0.36 -0.72 2.02 -1.26 -4.98 118.70 113.56 1j1h s GLU 64 Ca 0.26 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.86 1j1h s GLU 64 Cb 0.30 -1.90 0.60 0.00 0.10 0.00 0.00 34.13 33.23 1j1h s GLU 64 CO -0.06 -0.75 1.70 1.17 0.02 0.00 0.00 175.26 177.34 1j1h n LYS 65 N 5.10 2.18 -4.37 1.61 4.81 -1.26 -4.91 118.16 121.31 1j1h n LYS 65 Ca -0.07 -3.09 -0.33 0.00 -0.87 0.00 0.00 58.31 53.95 1j1h n LYS 65 Cb 0.46 -2.01 -0.16 0.00 0.02 0.00 0.00 35.03 33.34 1j1h n LYS 65 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j1h s GLY 66 N -1.86 1.39 -0.26 3.14 0.00 -1.26 -5.10 107.32 103.38 1j1h s GLY 66 Ca 0.51 -1.15 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 1j1h s GLY 66 CO 0.06 0.14 0.14 -0.56 0.00 0.00 0.00 173.10 172.88 1j1h s SER 67 N 1.06 5.68 0.00 1.64 0.01 -1.26 -4.79 113.70 116.04 1j1h s SER 67 Ca -0.01 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1j1h s SER 67 Cb -0.14 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1j1h s SER 67 CO -0.07 -0.03 0.00 -1.22 0.41 0.00 0.00 173.24 172.33 1j1h n TYR 68 N 4.90 0.00 -0.31 2.43 4.02 -1.26 -4.98 117.16 121.95 1j1h n TYR 68 Ca -0.15 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1j1h n TYR 68 Cb 0.52 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.16 1j1h n TYR 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j1h h ALA 69 N 1.00 1.50 0.00 -0.72 0.00 -2.09 -3.41 119.26 115.53 1j1h h ALA 69 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j1h h ALA 69 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j1h h ALA 69 CO 0.00 -0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.15 1j1h n ASN 70 N -5.05 0.00 -4.71 0.00 6.94 -1.26 -5.14 115.26 106.04 1j1h n ASN 70 Ca 0.23 0.00 -0.40 0.00 -0.02 0.00 0.00 54.58 54.39 1j1h n ASN 70 Cb 0.69 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.07 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1j1h s VAL 71 N 0.00 5.02 -0.13 3.53 -7.23 -1.26 -5.03 120.40 115.29 1j1h s VAL 71 Ca 0.00 1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 61.55 1j1h s VAL 71 Cb 0.00 -4.09 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 1j1h s VAL 71 CO 0.00 0.23 0.40 -1.81 -0.31 0.00 0.00 175.10 173.61 1j1h s ASP 72 N 0.84 6.58 0.86 4.85 1.11 -1.26 -5.07 116.67 124.58 1j1h s ASP 72 Ca 0.40 0.68 -0.12 0.00 0.18 0.00 0.00 52.55 53.69 1j1h s ASP 72 Cb -0.18 -2.24 0.11 0.00 1.07 0.00 0.00 42.92 41.68 1j1h s ASP 72 CO 0.19 0.05 1.14 -2.16 1.18 0.00 0.00 175.17 175.58 1j1h s PRO 73 N 0.53 1.56 0.54 8.23 0.04 -1.26 -4.94 135.00 139.70 1j1h s PRO 73 Ca 0.22 0.28 0.31 0.00 0.04 0.00 0.00 61.00 61.85 1j1h s PRO 73 Cb -0.14 -1.89 1.51 0.00 0.04 0.00 0.00 34.50 34.02 1j1h s PRO 73 CO 0.08 -1.91 2.06 0.00 0.04 0.00 0.00 177.00 177.27 1j1h h ARG 74 N -1.29 0.00 0.00 4.56 2.47 -1.97 -3.09 114.38 115.07 1j1h h ARG 74 Ca -0.49 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 57.92 1j1h h ARG 74 Cb 1.32 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.58 1j1h h ARG 74 CO 0.63 0.09 -2.17 -2.13 0.56 0.00 0.00 179.97 176.95 1j1h n ARG 75 N -3.40 1.10 0.00 0.04 0.00 -1.26 -4.88 116.66 108.26 1j1h n ARG 75 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1j1h n ARG 75 Cb 0.25 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.28 1j1h n ARG 75 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1j1h n LYS 76 N -2.73 0.00 0.00 -0.14 5.02 -1.17 -4.44 118.16 114.70 1j1h n LYS 76 Ca -0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1j1h n LYS 76 Cb 1.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.03 1j1h n LYS 76 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j1h n ARG 77 N 0.00 0.00 0.00 1.97 1.85 -1.26 -4.46 116.66 114.75 1j1h n ARG 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j1h n ARG 77 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1j1h n ARG 77 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j1h n LYS 78 N 0.00 0.00 -0.75 2.89 4.81 -1.26 -4.02 118.16 119.82 1j1h n LYS 78 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1j1h n LYS 78 Cb 0.00 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.23 1j1h n LYS 78 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j1h s LEU 79 N 0.00 2.32 -0.22 3.14 1.02 0.24 -4.72 118.68 120.46 1j1h s LEU 79 Ca 0.00 1.94 -0.04 0.00 0.02 0.00 0.00 54.13 56.05 1j1h s LEU 79 Cb 0.00 -4.23 -0.01 0.00 0.02 0.00 0.00 46.19 41.97 1j1h s LEU 79 CO 0.00 -3.24 -0.04 -0.22 0.02 0.00 0.00 176.35 172.87 1j1h s LEU 80 N -6.66 2.92 -0.12 1.79 2.96 -1.25 -2.92 118.68 115.40 1j1h s LEU 80 Ca 0.66 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1j1h s LEU 80 Cb -0.22 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1j1h s LEU 80 CO 0.59 -0.02 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.61 1j1h s LEU 81 N 1.48 2.08 0.26 -0.68 1.43 -1.25 -1.59 118.68 120.41 1j1h s LEU 81 Ca 0.06 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1j1h s LEU 81 Cb -0.14 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.54 1j1h s LEU 81 CO -0.03 0.11 1.38 1.41 0.23 0.00 0.00 176.35 179.44 1j1h n HIS 82 N 3.88 2.19 -0.11 0.29 8.25 -1.26 -3.86 115.22 124.60 1j1h n HIS 82 Ca -0.20 0.46 0.06 0.00 -0.26 0.00 0.00 57.72 57.78 1j1h n HIS 82 Cb 0.52 -2.45 0.39 0.00 1.12 0.00 0.00 29.99 29.57 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 3.83 0.63 -0.53 -0.41 3.11 -1.86 0.04 116.57 121.38 1j1h h LYS 83 Ca -0.45 -0.04 0.06 0.00 -2.81 0.00 0.00 60.65 57.41 1j1h h LYS 83 Cb 1.28 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.33 1j1h h LYS 83 CO 0.73 0.42 0.35 1.25 -2.81 0.00 0.00 179.45 179.39 1j1h h HIS 84 N 0.65 0.49 -0.11 1.91 2.76 -1.95 -1.64 115.15 117.27 1j1h h HIS 84 Ca 0.25 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.23 1j1h h HIS 84 Cb 0.17 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1j1h h HIS 84 CO -0.00 0.27 -0.76 0.93 -1.30 0.00 0.00 177.93 177.07 1j1h h GLU 85 N 0.50 0.57 -0.14 5.26 4.39 -1.33 -3.30 114.58 120.53 1j1h h GLU 85 Ca 0.23 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1j1h h GLU 85 Cb 0.26 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1j1h h GLU 85 CO -0.06 1.09 0.04 1.25 -1.16 0.00 0.00 179.01 180.17 1j1h h LEU 86 N 0.39 0.20 -0.50 1.33 7.12 -0.81 -3.31 115.31 119.73 1j1h h LEU 86 Ca -0.04 -0.21 -0.17 0.00 0.13 0.00 0.00 57.88 57.59 1j1h h LEU 86 Cb 1.36 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1j1h h LEU 86 CO 0.14 0.36 -0.72 -0.09 -0.13 0.00 0.00 178.44 178.00 1j1h h ARG 87 N 0.04 0.20 -0.01 1.25 9.65 -1.65 -3.23 114.38 120.63 1j1h h ARG 87 Ca 0.04 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1j1h h ARG 87 Cb 0.23 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1j1h h ARG 87 CO -0.00 0.83 -0.01 -0.09 2.80 0.00 0.00 179.97 183.50 1j1h h ARG 88 N 0.13 0.02 0.05 0.20 2.43 -1.65 -2.63 114.38 112.94 1j1h h ARG 88 Ca -0.02 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 1j1h h ARG 88 Cb 1.27 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1j1h h ARG 88 CO 0.11 0.61 -1.03 1.25 -1.51 0.00 0.00 179.97 179.41 1j1h h LEU 89 N -0.57 0.82 -1.34 3.80 7.12 -1.74 -3.25 115.31 120.15 1j1h h LEU 89 Ca -0.00 -0.78 -0.05 0.00 0.13 0.00 0.00 57.88 57.18 1j1h h LEU 89 Cb 0.61 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 1j1h h LEU 89 CO 0.00 1.50 -0.08 0.25 -0.13 0.00 0.00 178.44 179.99 1j1h h LEU 90 N 0.23 0.33 -2.91 2.25 5.85 -1.70 -2.89 115.31 116.47 1j1h h LEU 90 Ca -0.14 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1j1h h LEU 90 Cb 1.71 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1j1h h LEU 90 CO 0.20 0.45 0.00 1.23 -0.34 0.00 0.00 178.44 179.98 1j1h h GLY 91 N 0.77 0.00 1.52 3.75 0.00 -1.50 -2.87 103.07 104.73 1j1h h GLY 91 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 1j1h h GLY 91 CO 0.02 0.00 -1.24 0.50 0.00 0.00 0.00 176.54 175.81 1j1h h LYS 92 N 0.00 0.00 0.00 4.80 1.57 -1.66 -3.31 116.57 117.96 1j1h h LYS 92 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j1h h LYS 92 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1j1h h LYS 92 CO 0.00 0.68 -0.00 -0.39 -0.57 0.00 0.00 179.45 179.16 1j1h h VAL 93 N 0.00 0.85 0.00 0.50 -1.51 -1.67 -1.85 116.25 112.57 1j1h h VAL 93 Ca -0.13 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1j1h h VAL 93 Cb 1.79 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1j1h h VAL 93 CO 0.09 0.00 0.17 1.21 -1.23 0.00 0.00 177.57 177.81 1j1h n GLU 94 N -4.31 0.10 0.00 5.19 4.07 -1.25 -3.60 120.64 120.85 1j1h n GLU 94 Ca -0.03 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 1j1h n GLU 94 Cb 0.09 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.46 1j1h n GLU 94 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1j1h n GLN 95 N -2.09 0.00 0.00 5.31 3.00 -0.70 -4.90 117.38 118.00 1j1h n GLN 95 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1j1h n GLN 95 Cb 0.19 -0.72 0.00 0.00 0.00 0.00 0.00 30.24 29.71 1j1h n GLN 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1j1h n LYS 96 N -0.37 0.00 -0.52 -1.09 3.00 -1.24 -4.96 118.16 112.99 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j1h n GLY 97 N 0.00 0.70 3.80 3.14 0.00 -1.26 -4.77 105.19 106.81 1j1h n GLY 97 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 3.83 0.36 0.99 1.02 -1.26 -2.80 118.68 120.82 1j1h s LEU 98 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 54.13 54.10 1j1h s LEU 98 Cb 0.00 -2.45 -0.07 0.00 0.02 0.00 0.00 46.19 43.70 1j1h s LEU 98 CO 0.00 0.08 0.04 0.42 0.02 0.00 0.00 176.35 176.92 1j1h s THR 99 N -1.70 1.43 -0.10 5.49 -4.23 -1.14 -4.85 115.64 110.54 1j1h s THR 99 Ca 0.31 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1j1h s THR 99 Cb -0.10 -2.83 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1j1h s THR 99 CO 0.23 0.00 -0.09 -1.48 -0.54 0.00 0.00 174.62 172.75 1j1h s LEU 100 N -3.57 1.31 -0.13 4.79 0.05 -1.26 -3.07 118.68 116.80 1j1h s LEU 100 Ca 0.35 -0.30 -0.06 0.00 0.05 0.00 0.00 54.13 54.17 1j1h s LEU 100 Cb 0.09 -0.83 0.06 0.00 -2.05 0.00 0.00 46.19 43.46 1j1h s LEU 100 CO 0.16 -0.08 0.29 0.54 -0.55 0.00 0.00 176.35 176.71 1j1h s VAL 101 N 1.43 -0.19 -1.02 1.48 0.11 -1.23 -3.97 120.40 117.01 1j1h s VAL 101 Ca -0.00 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 1j1h s VAL 101 Cb -0.13 -0.45 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 1j1h s VAL 101 CO -0.05 0.08 2.01 -2.16 -3.33 0.00 0.00 175.10 171.65 1j1h s PRO 102 N 1.72 2.27 0.40 1.54 0.04 -1.26 -1.01 135.00 138.70 1j1h s PRO 102 Ca -0.06 -0.55 0.17 0.00 0.04 0.00 0.00 61.00 60.60 1j1h s PRO 102 Cb -0.11 -5.09 0.84 0.00 0.04 0.00 0.00 34.50 30.18 1j1h s PRO 102 CO -0.09 -3.97 1.85 -0.07 0.04 0.00 0.00 177.00 174.76 1j1h h LEU 103 N 18.85 0.00 -7.59 -3.56 3.38 -1.33 -3.43 115.31 121.63 1j1h h LEU 103 Ca 0.12 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.66 1j1h h LEU 103 Cb 0.98 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.36 1j1h h LEU 103 CO 1.17 0.33 -0.77 -0.54 0.09 0.00 0.00 178.44 178.72 1j1h s LYS 104 N -4.05 0.78 -0.10 1.13 -0.14 -1.25 -0.52 119.74 115.60 1j1h s LYS 104 Ca -0.02 -0.00 0.02 0.00 -1.36 0.00 0.00 55.97 54.60 1j1h s LYS 104 Cb 0.13 -0.99 -0.02 0.00 -1.68 0.00 0.00 37.83 35.28 1j1h s LYS 104 CO 0.69 -0.22 -0.16 0.42 -0.76 0.00 0.00 175.35 175.32 1j1h s ILE 105 N 1.58 2.84 0.02 2.17 1.01 -1.26 -2.76 121.20 124.80 1j1h s ILE 105 Ca -0.01 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1j1h s ILE 105 Cb -0.13 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1j1h s ILE 105 CO -0.04 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 174.93 1j1h s TYR 106 N 0.06 1.82 0.02 3.97 2.02 -0.25 -1.73 117.35 123.27 1j1h s TYR 106 Ca -0.06 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1j1h s TYR 106 Cb -0.15 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1j1h s TYR 106 CO 0.05 0.04 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.93 1j1h s PHE 107 N -0.67 0.73 0.14 2.71 0.08 -1.26 -1.10 117.98 118.61 1j1h s PHE 107 Ca 0.08 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1j1h s PHE 107 Cb -0.08 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.87 1j1h s PHE 107 CO 0.01 -0.02 -0.07 -0.80 -0.10 0.00 0.00 175.22 174.23 1j1h s ASN 108 N -0.79 1.57 0.00 1.36 0.02 -0.98 -4.80 114.94 111.33 1j1h s ASN 108 Ca -0.02 -1.05 0.27 0.00 -1.02 0.00 0.00 52.86 51.05 1j1h s ASN 108 Cb -0.06 0.03 1.50 0.00 0.02 0.00 0.00 41.25 42.74 1j1h s ASN 108 CO 0.00 -0.41 1.95 -0.62 0.02 0.00 0.00 177.10 178.04 1j1h n GLU 109 N -0.18 0.63 -0.45 -0.60 4.71 -1.26 -3.26 120.64 120.22 1j1h n GLU 109 Ca -0.10 0.02 0.05 0.00 -0.01 0.00 0.00 57.16 57.12 1j1h n GLU 109 Cb 0.61 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.77 1j1h n GLU 109 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1j1h n ARG 110 N -1.14 2.98 -2.03 3.49 0.63 -1.26 -4.84 116.66 114.49 1j1h n ARG 110 Ca 0.17 -1.76 -0.11 0.00 -0.92 0.00 0.00 57.85 55.22 1j1h n ARG 110 Cb 0.15 -1.81 -0.01 0.00 0.45 0.00 0.00 32.46 31.24 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1h n GLY 111 N 0.54 0.18 2.90 5.14 0.00 -1.20 -4.97 105.19 107.78 1j1h n GLY 111 Ca 0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.53 2.29 -0.03 1.61 5.04 -1.26 -4.11 117.35 118.36 1j1h s TYR 112 Ca 0.00 -1.76 0.07 0.00 -2.44 0.00 0.00 57.07 52.94 1j1h s TYR 112 Cb 0.00 -1.64 -0.01 0.00 0.35 0.00 0.00 41.96 40.66 1j1h s TYR 112 CO 0.00 -0.78 -0.23 0.00 -1.34 0.00 0.00 175.55 173.20 1j1h s ALA 113 N 1.43 1.93 -0.18 3.97 0.00 -0.56 -2.31 121.76 126.04 1j1h s ALA 113 Ca -0.03 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1j1h s ALA 113 Cb -0.19 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1j1h s ALA 113 CO -0.08 0.43 0.13 0.15 0.00 0.00 0.00 175.76 176.39 1j1h s LYS 114 N -0.38 4.05 0.03 0.00 1.02 -0.26 -0.94 119.74 123.26 1j1h s LYS 114 Ca 0.04 -0.20 0.07 0.00 0.02 0.00 0.00 55.97 55.90 1j1h s LYS 114 Cb -0.10 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1j1h s LYS 114 CO 0.01 0.39 -0.20 0.08 -0.92 0.00 0.00 175.35 174.70 1j1h s VAL 115 N 0.10 1.64 -0.03 3.17 1.01 -1.00 -1.09 120.40 124.20 1j1h s VAL 115 Ca 0.09 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1j1h s VAL 115 Cb -0.11 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 1j1h s VAL 115 CO -0.01 0.26 -0.11 -0.76 0.00 0.00 0.00 175.10 174.48 1j1h s LEU 116 N -1.02 1.85 -0.10 3.92 1.43 -1.11 -1.68 118.68 121.97 1j1h s LEU 116 Ca 0.07 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1j1h s LEU 116 Cb -0.09 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 1j1h s LEU 116 CO 0.01 0.10 0.28 -0.22 0.23 0.00 0.00 176.35 176.75 1j1h s LEU 117 N 0.08 4.35 -0.27 1.79 1.98 -1.08 -0.85 118.68 124.68 1j1h s LEU 117 Ca -0.02 0.62 0.02 0.00 -2.89 0.00 0.00 54.13 51.87 1j1h s LEU 117 Cb -0.08 -2.35 0.06 0.00 0.66 0.00 0.00 46.19 44.48 1j1h s LEU 117 CO 0.01 0.24 -0.08 -0.83 -1.89 0.00 0.00 176.35 173.80 1j1h s GLY 118 N -0.36 1.69 -0.35 7.98 0.00 -0.18 -3.31 107.32 112.79 1j1h s GLY 118 Ca 0.18 -1.81 -0.22 0.00 0.00 0.00 0.00 44.72 42.87 1j1h s GLY 118 CO 0.06 0.64 0.73 -2.27 0.00 0.00 0.00 173.10 172.26 1j1h s LEU 119 N 1.11 4.16 -0.17 0.66 2.96 -0.14 -3.51 118.68 123.75 1j1h s LEU 119 Ca -0.07 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1j1h s LEU 119 Cb -0.20 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1j1h s LEU 119 CO -0.05 -0.66 0.08 0.00 -1.32 0.00 0.00 176.35 174.41 1j1h s ALA 120 N 2.93 3.51 -0.42 5.97 0.00 -1.17 0.22 121.76 132.79 1j1h s ALA 120 Ca 0.29 -0.72 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 1j1h s ALA 120 Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1j1h s ALA 120 CO 0.15 0.25 0.46 -0.98 0.00 0.00 0.00 175.76 175.64 1j1h s ARG 121 N 0.13 3.11 0.63 0.00 1.70 -1.26 -2.90 118.95 120.35 1j1h s ARG 121 Ca 0.06 -0.73 0.29 0.00 -0.47 0.00 0.00 55.73 54.89 1j1h s ARG 121 Cb -0.12 -3.97 1.59 0.00 -0.57 0.00 0.00 34.95 31.88 1j1h s ARG 121 CO 0.00 -0.87 1.94 0.78 -1.08 0.00 0.00 175.30 176.07 1j1h h GLY 122 N 9.11 0.00 0.00 3.88 0.00 -1.82 -3.49 103.07 110.75 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 0.80 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.51