#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppx s LYS 2 N 0.00 4.07 0.05 2.12 1.02 -1.05 -5.02 119.74 120.94 1ppx s LYS 2 Ca 0.00 0.33 0.07 0.00 0.02 0.00 0.00 55.97 56.39 1ppx s LYS 2 Cb 0.00 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1ppx s LYS 2 CO 0.00 0.47 -0.18 -1.59 -0.92 0.00 0.00 175.35 173.13 1ppx s LYS 3 N -0.33 1.19 -0.11 1.68 0.00 -1.26 -0.81 119.74 120.09 1ppx s LYS 3 Ca 0.22 -0.91 -0.05 0.00 0.00 0.00 0.00 55.97 55.24 1ppx s LYS 3 Cb -0.15 -1.28 0.05 0.00 0.00 0.00 0.00 37.83 36.45 1ppx s LYS 3 CO 0.10 0.32 0.23 -0.48 0.00 0.00 0.00 175.35 175.53 1ppx s LEU 4 N -1.27 0.06 0.17 2.77 0.05 0.31 -4.88 118.68 115.89 1ppx s LEU 4 Ca 0.05 0.51 0.04 0.00 0.05 0.00 0.00 54.13 54.78 1ppx s LEU 4 Cb -0.09 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.65 1ppx s LEU 4 CO 0.02 -0.21 0.23 -1.10 -0.55 0.00 0.00 176.35 174.74 1ppx s GLN 5 N 1.89 3.21 -0.10 1.48 -0.21 -1.26 -0.65 119.66 124.03 1ppx s GLN 5 Ca -0.03 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.55 1ppx s GLN 5 Cb -0.11 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.12 1ppx s GLN 5 CO -0.08 0.49 0.23 0.42 -2.12 0.00 0.00 175.29 174.23 1ppx s ILE 6 N -1.79 -0.03 -0.12 1.08 1.09 0.33 -3.73 121.20 118.02 1ppx s ILE 6 Ca 0.33 0.12 0.02 0.00 -1.10 0.00 0.00 60.65 60.01 1ppx s ILE 6 Cb -0.10 -0.35 0.01 0.00 -1.06 0.00 0.00 42.46 40.96 1ppx s ILE 6 CO 0.26 0.05 -0.16 0.00 -0.10 0.00 0.00 174.94 174.99 1ppx s ALA 7 N 0.99 1.79 0.23 9.38 0.00 -0.85 -0.07 121.76 133.24 1ppx s ALA 7 Ca -0.07 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1ppx s ALA 7 Cb -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1ppx s ALA 7 CO -0.06 -0.10 -0.10 0.14 0.00 0.00 0.00 175.76 175.63 1ppx s VAL 8 N 1.02 1.63 -0.16 0.00 -7.23 0.21 -3.87 120.40 112.00 1ppx s VAL 8 Ca -0.05 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 57.91 1ppx s VAL 8 Cb -0.15 -2.20 0.08 0.00 0.56 0.00 0.00 36.38 34.67 1ppx s VAL 8 CO -0.03 -0.48 0.25 -0.83 -0.31 0.00 0.00 175.10 173.71 1ppx s GLY 9 N -3.36 -0.08 -0.78 2.32 0.00 -1.23 1.00 107.32 105.19 1ppx s GLY 9 Ca 0.25 0.69 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 1ppx s GLY 9 CO 0.09 2.04 1.64 -0.26 0.00 0.00 0.00 173.10 176.61 1ppx s ILE 10 N 2.39 3.58 -0.43 0.90 -4.36 -0.76 -4.68 121.20 117.84 1ppx s ILE 10 Ca 0.04 -0.04 -0.29 0.00 -0.26 0.00 0.00 60.65 60.10 1ppx s ILE 10 Cb -0.13 -4.43 0.02 0.00 1.25 0.00 0.00 42.46 39.17 1ppx s ILE 10 CO -0.10 -1.37 1.16 0.27 0.24 0.00 0.00 174.94 175.14 1ppx s ILE 11 N 7.63 4.24 0.36 8.37 -4.36 -1.26 -3.03 121.20 133.14 1ppx s ILE 11 Ca 0.55 1.31 -0.06 0.00 -0.26 0.00 0.00 60.65 62.19 1ppx s ILE 11 Cb -0.08 -4.51 -0.05 0.00 1.25 0.00 0.00 42.46 39.07 1ppx s ILE 11 CO 0.09 -0.85 0.65 -0.60 0.24 0.00 0.00 174.94 174.47 1ppx s ARG 12 N 4.32 3.64 0.18 0.37 6.06 -0.96 -0.06 118.95 132.50 1ppx s ARG 12 Ca 0.49 0.12 0.01 0.00 -2.50 0.00 0.00 55.73 53.85 1ppx s ARG 12 Cb -0.09 -2.54 -0.00 0.00 0.06 0.00 0.00 34.95 32.38 1ppx s ARG 12 CO 0.28 0.07 0.03 0.27 -2.50 0.00 0.00 175.30 173.45 1ppx n ASN 13 N -1.34 1.80 0.26 -2.12 6.94 0.39 -2.52 115.26 118.67 1ppx n ASN 13 Ca -0.01 -1.88 0.18 0.00 -0.02 0.00 0.00 54.58 52.85 1ppx n ASN 13 Cb 0.54 0.28 0.85 0.00 -2.36 0.00 0.00 39.78 39.09 1ppx n ASN 13 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1ppx h GLU 14 N 0.00 0.00 -1.01 -3.83 4.22 -1.91 -1.19 114.58 110.86 1ppx h GLU 14 Ca -0.15 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 58.81 1ppx h GLU 14 Cb 0.50 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.47 1ppx h GLU 14 CO 0.24 0.00 0.61 -1.71 -2.18 0.00 0.00 179.01 175.97 1ppx n ASN 15 N -3.24 3.97 -2.33 1.04 2.85 -1.26 -4.86 115.26 111.43 1ppx n ASN 15 Ca 0.01 -3.47 -0.06 0.00 -0.11 0.00 0.00 54.58 50.95 1ppx n ASN 15 Cb 0.39 -0.82 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1ppx n ASN 16 N -0.97 -2.25 -4.53 1.20 6.94 -0.45 -4.89 115.26 110.31 1ppx n ASN 16 Ca 0.54 0.34 -0.24 0.00 -0.02 0.00 0.00 54.58 55.20 1ppx n ASN 16 Cb 1.50 -2.03 -0.09 0.00 -2.36 0.00 0.00 39.78 36.80 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ppx s GLU 17 N -4.74 1.89 -0.08 -3.83 2.02 -1.25 -4.33 118.70 108.38 1ppx s GLU 17 Ca 0.00 -1.67 0.03 0.00 0.02 0.00 0.00 54.97 53.35 1ppx s GLU 17 Cb 0.00 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 1ppx s GLU 17 CO 0.00 0.33 -0.15 -1.50 0.02 0.00 0.00 175.26 173.96 1ppx s ILE 18 N -2.46 2.97 -0.84 -1.63 -1.16 0.47 0.15 121.20 118.70 1ppx s ILE 18 Ca 0.31 -0.73 -0.21 0.00 -0.51 0.00 0.00 60.65 59.51 1ppx s ILE 18 Cb -0.05 -2.18 0.10 0.00 0.61 0.00 0.00 42.46 40.93 1ppx s ILE 18 CO 0.17 0.57 1.11 0.12 -2.81 0.00 0.00 174.94 174.09 1ppx s PHE 19 N -0.34 2.89 0.30 3.50 2.19 0.91 -1.04 117.98 126.38 1ppx s PHE 19 Ca 0.03 -1.02 0.10 0.00 0.33 0.00 0.00 56.93 56.37 1ppx s PHE 19 Cb -0.13 -4.33 -0.05 0.00 -1.31 0.00 0.00 43.02 37.20 1ppx s PHE 19 CO 0.02 -1.60 -0.00 0.96 1.83 0.00 0.00 175.22 176.43 1ppx s ILE 20 N 3.46 3.01 0.08 3.12 -4.36 -1.24 -4.52 121.20 120.75 1ppx s ILE 20 Ca 0.30 -1.97 -0.31 0.00 -0.26 0.00 0.00 60.65 58.42 1ppx s ILE 20 Cb -0.09 -2.78 -0.07 0.00 1.25 0.00 0.00 42.46 40.78 1ppx s ILE 20 CO -0.02 -0.30 1.30 0.42 0.24 0.00 0.00 174.94 176.57 1ppx s THR 21 N -2.42 3.69 -0.07 8.37 -4.23 -0.31 -3.17 115.64 117.50 1ppx s THR 21 Ca 0.33 1.21 0.02 0.00 -1.18 0.00 0.00 61.69 62.06 1ppx s THR 21 Cb -0.04 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.05 1ppx s THR 21 CO 0.19 0.09 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.66 1ppx s ARG 22 N 1.17 1.51 4.73 3.99 3.52 -1.05 -2.90 118.95 129.92 1ppx s ARG 22 Ca 0.62 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1ppx s ARG 22 Cb -0.33 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.74 1ppx s ARG 22 CO 0.29 -0.04 0.00 0.54 -0.81 0.00 0.00 175.30 175.29 1ppx n ARG 23 N 4.02 0.00 0.00 5.12 1.74 -1.15 -4.79 116.66 121.61 1ppx n ARG 23 Ca -0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1ppx n ARG 23 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ppx n ALA 24 N 10.11 0.00 -0.08 7.54 0.00 -1.11 -4.32 120.51 132.64 1ppx n ALA 24 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ppx n ALA 24 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx n ALA 25 N -0.35 1.59 -0.06 0.00 0.00 -1.26 -4.74 120.51 115.68 1ppx n ALA 25 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 53.44 52.27 1ppx n ALA 25 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 1ppx n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ppx n ASP 26 N -2.65 2.29 -3.82 0.00 5.75 -1.26 -5.06 116.55 111.80 1ppx n ASP 26 Ca -0.28 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.39 1ppx n ASP 26 Cb 1.02 -0.25 0.04 0.00 -1.03 0.00 0.00 41.12 40.90 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ppx n ALA 27 N -3.10 0.74 -1.02 2.12 0.00 -1.26 -5.10 120.51 112.88 1ppx n ALA 27 Ca -0.22 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1ppx n ALA 27 Cb 0.70 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.53 1ppx n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ppx n HIS 28 N -1.73 0.00 -3.67 0.00 8.25 -1.26 -4.07 115.22 112.74 1ppx n HIS 28 Ca 0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 1ppx n HIS 28 Cb 0.37 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.50 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1ppx n MET 29 N -0.64 -4.96 -0.24 -0.41 2.81 -1.26 -2.74 117.12 109.68 1ppx n MET 29 Ca 0.00 0.61 -0.07 0.00 -1.81 0.00 0.00 57.70 56.42 1ppx n MET 29 Cb 0.00 -5.46 0.04 0.00 -0.71 0.00 0.00 33.22 27.09 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx h ALA 30 N 0.97 0.88 -0.49 3.04 0.00 -1.90 -2.50 119.26 119.26 1ppx h ALA 30 Ca -0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1ppx h ALA 30 Cb 1.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ppx h ALA 30 CO 0.63 0.57 0.04 0.09 0.00 0.00 0.00 179.25 180.58 1ppx n ASN 31 N -4.31 4.70 -0.88 0.00 4.13 -1.24 -4.15 115.26 113.51 1ppx n ASN 31 Ca 0.05 -2.79 0.02 0.00 1.68 0.00 0.00 54.58 53.53 1ppx n ASN 31 Cb 0.23 -0.66 0.21 0.00 -1.54 0.00 0.00 39.78 38.02 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ppx n LYS 32 N 0.39 1.96 -1.47 3.52 5.02 -0.71 -2.17 118.16 124.70 1ppx n LYS 32 Ca 0.24 -3.06 -0.11 0.00 -2.02 0.00 0.00 58.31 53.36 1ppx n LYS 32 Cb 1.05 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.21 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ppx n LEU 33 N -1.04 0.68 0.00 -0.35 0.00 0.46 -4.41 117.00 112.34 1ppx n LEU 33 Ca 0.26 -2.24 0.00 0.00 0.00 0.00 0.00 56.01 54.04 1ppx n LEU 33 Cb 0.90 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.81 1ppx n LEU 33 CO 0.12 -3.26 0.00 1.21 0.00 0.00 0.00 177.39 175.47 1ppx n GLU 34 N 7.45 1.68 -4.44 1.96 2.13 -1.14 -4.02 120.64 124.25 1ppx n GLU 34 Ca 0.34 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.90 1ppx n GLU 34 Cb 0.47 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.08 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1ppx s PHE 35 N 0.54 2.32 1.13 4.31 0.40 -1.26 -1.16 117.98 124.26 1ppx s PHE 35 Ca 0.00 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1ppx s PHE 35 Cb 0.00 -1.07 0.27 0.00 0.51 0.00 0.00 43.02 42.73 1ppx s PHE 35 CO 0.00 0.62 1.05 -1.25 0.70 0.00 0.00 175.22 176.34 1ppx s PRO 36 N -3.14 -0.69 0.00 0.24 0.04 -1.26 -4.76 135.00 125.43 1ppx s PRO 36 Ca 0.26 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1ppx s PRO 36 Cb -0.06 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1ppx s PRO 36 CO 0.13 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 173.96 1ppx n GLY 37 N 0.86 0.82 3.16 0.56 0.00 -1.25 -3.48 105.19 105.86 1ppx n GLY 37 Ca 0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1ppx n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppx s GLY 38 N -1.69 1.15 0.00 -0.02 0.00 -1.25 -2.01 107.32 103.50 1ppx s GLY 38 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1ppx s GLY 38 CO 0.00 -0.23 0.00 1.17 0.00 0.00 0.00 173.10 174.04 1ppx n LYS 39 N 3.54 0.00 0.15 2.90 4.81 -1.26 -4.96 118.16 123.33 1ppx n LYS 39 Ca -0.20 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.43 1ppx n LYS 39 Cb 0.53 0.00 0.78 0.00 0.02 0.00 0.00 35.03 36.36 1ppx n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1ppx h ILE 40 N 0.00 0.44 0.00 3.15 3.07 -1.82 -3.20 117.51 119.15 1ppx h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1ppx h ILE 40 Cb 0.00 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 37.30 1ppx h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1ppx n GLU 41 N -3.79 0.00 0.00 0.16 0.28 -1.24 -4.05 120.64 111.99 1ppx n GLU 41 Ca 0.04 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 1ppx n GLU 41 Cb 0.47 -0.82 0.00 0.00 1.43 0.00 0.00 31.44 32.52 1ppx n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1ppx n MET 42 N -0.58 0.00 -0.85 3.44 2.81 -1.21 -2.03 117.12 118.70 1ppx n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1ppx n MET 42 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1ppx n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ppx n GLY 43 N 0.00 0.07 3.31 3.03 0.00 -1.26 -5.15 105.19 105.18 1ppx n GLY 43 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ppx n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ppx n GLU 44 N -0.05 -0.06 -4.07 1.61 4.71 -0.86 -5.07 120.64 116.85 1ppx n GLU 44 Ca -0.14 -2.29 -0.25 0.00 -0.01 0.00 0.00 57.16 54.46 1ppx n GLU 44 Cb 0.50 -0.59 -0.05 0.00 -1.01 0.00 0.00 31.44 30.29 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ppx s THR 45 N -2.64 4.58 0.61 2.62 2.01 -1.26 -4.75 115.64 116.81 1ppx s THR 45 Ca 0.57 -1.09 0.26 0.00 0.31 0.00 0.00 61.69 61.73 1ppx s THR 45 Cb -0.03 -3.37 0.36 0.00 0.01 0.00 0.00 72.50 69.47 1ppx s THR 45 CO 0.38 -0.15 1.47 1.55 -0.69 0.00 0.00 174.62 177.18 1ppx h PRO 46 N 2.20 0.00 0.00 4.92 0.13 -1.98 1.53 132.00 138.80 1ppx h PRO 46 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 1ppx h PRO 46 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1ppx h PRO 46 CO 0.63 0.00 -1.95 0.39 -0.23 0.00 0.00 178.00 176.84 1ppx n GLU 47 N -3.30 0.59 0.17 0.86 1.02 -1.26 -4.44 120.64 114.27 1ppx n GLU 47 Ca 0.17 0.40 0.06 0.00 -0.02 0.00 0.00 57.16 57.77 1ppx n GLU 47 Cb 1.22 -1.61 0.07 0.00 -0.02 0.00 0.00 31.44 31.09 1ppx n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ppx h GLN 48 N -0.94 0.00 -0.31 3.49 4.20 -1.58 -3.02 115.11 116.96 1ppx h GLN 48 Ca -0.53 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.22 1ppx h GLN 48 Cb 1.50 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.24 1ppx h GLN 48 CO -0.30 0.32 0.06 0.00 -0.67 0.00 0.00 178.83 178.24 1ppx h ALA 49 N 1.68 0.32 0.03 3.87 0.00 0.19 0.88 119.26 126.22 1ppx h ALA 49 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ppx h ALA 49 Cb 1.25 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ppx h ALA 49 CO 0.04 -0.34 -0.29 -0.39 0.00 0.00 0.00 179.25 178.27 1ppx h VAL 50 N 0.18 1.62 -0.64 0.00 -1.51 -1.76 -2.28 116.25 111.87 1ppx h VAL 50 Ca 0.14 -2.21 0.04 0.00 -1.23 0.00 0.00 66.70 63.45 1ppx h VAL 50 Cb 0.15 3.08 -0.04 0.00 -2.13 0.00 0.00 31.29 32.35 1ppx h VAL 50 CO -0.18 0.60 0.42 0.58 -1.23 0.00 0.00 177.57 177.76 1ppx h VAL 51 N -0.64 1.06 0.05 7.19 2.07 -1.44 1.31 116.25 125.85 1ppx h VAL 51 Ca -0.04 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ppx h VAL 51 Cb 1.14 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ppx h VAL 51 CO 0.05 0.13 -0.03 -0.09 0.02 0.00 0.00 177.57 177.66 1ppx h ARG 52 N 0.73 -0.07 0.00 1.57 9.65 0.71 -3.28 114.38 123.69 1ppx h ARG 52 Ca 0.26 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.09 1ppx h ARG 52 Cb 0.13 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1ppx h ARG 52 CO -0.08 0.54 -0.29 1.49 2.80 0.00 0.00 179.97 184.44 1ppx h GLU 53 N -0.82 0.00 -0.76 0.20 4.57 -1.18 -3.04 114.58 113.56 1ppx h GLU 53 Ca -0.01 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 1ppx h GLU 53 Cb 0.65 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.14 1ppx h GLU 53 CO 0.01 0.29 0.32 1.25 -1.18 0.00 0.00 179.01 179.71 1ppx h LEU 54 N 0.00 0.33 -1.36 1.64 5.85 0.16 0.37 115.31 122.31 1ppx h LEU 54 Ca -0.00 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1ppx h LEU 54 Cb 0.67 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1ppx h LEU 54 CO 0.04 0.14 -0.23 1.56 -0.34 0.00 0.00 178.44 179.60 1ppx h GLN 55 N 0.48 0.13 0.00 1.25 4.20 -1.62 0.27 115.11 119.83 1ppx h GLN 55 Ca 0.41 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 59.04 1ppx h GLN 55 Cb 0.60 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1ppx h GLN 55 CO -0.38 0.36 -0.23 1.49 -0.67 0.00 0.00 178.83 179.40 1ppx h GLU 56 N 0.12 0.00 -0.30 1.46 4.81 -0.44 1.20 114.58 121.43 1ppx h GLU 56 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ppx h GLU 56 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1ppx h GLU 56 CO 0.03 0.23 0.00 0.39 -0.73 0.00 0.00 179.01 178.94 1ppx n GLU 57 N -3.37 2.20 0.00 1.92 -0.58 -0.11 -2.98 120.64 117.72 1ppx n GLU 57 Ca 0.00 -1.91 0.00 0.00 -0.42 0.00 0.00 57.16 54.83 1ppx n GLU 57 Cb 0.45 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1ppx n GLU 57 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ppx n VAL 58 N 0.80 0.00 0.00 2.62 3.14 0.83 -3.91 118.33 121.81 1ppx n VAL 58 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1ppx n VAL 58 Cb 0.44 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppx n GLY 59 N 2.01 0.44 0.00 7.55 0.00 0.41 -0.77 105.19 114.83 1ppx n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppx n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppx n ILE 60 N -0.31 0.00 -3.51 -0.61 -6.64 -1.26 -4.94 119.36 102.08 1ppx n ILE 60 Ca 0.00 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.56 1ppx n ILE 60 Cb 0.00 -1.30 -0.05 0.00 -1.44 0.00 0.00 39.64 36.84 1ppx n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1ppx s THR 61 N 0.41 4.76 -0.09 7.28 -4.23 -1.26 -5.01 115.64 117.50 1ppx s THR 61 Ca 0.00 -2.77 -0.01 0.00 -1.18 0.00 0.00 61.69 57.74 1ppx s THR 61 Cb 0.00 -3.99 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1ppx s THR 61 CO 0.00 -0.97 -0.05 -2.16 -0.54 0.00 0.00 174.62 170.90 1ppx s PRO 62 N -0.04 2.97 -1.25 3.99 0.04 -1.26 -2.40 135.00 137.06 1ppx s PRO 62 Ca 0.18 -0.52 -0.20 0.00 0.04 0.00 0.00 61.00 60.51 1ppx s PRO 62 Cb -0.14 -2.69 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 1ppx s PRO 62 CO -0.07 0.59 1.84 1.04 0.04 0.00 0.00 177.00 180.44 1ppx n GLN 63 N 2.47 2.49 -3.85 4.56 6.02 0.83 -4.84 117.38 125.06 1ppx n GLN 63 Ca -0.18 -2.89 -0.18 0.00 -0.01 0.00 0.00 57.00 53.74 1ppx n GLN 63 Cb 0.53 -3.58 -0.17 0.00 1.02 0.00 0.00 30.24 28.05 1ppx n GLN 63 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ppx s HIS 64 N 7.03 0.27 0.00 1.08 3.76 -1.19 -1.00 115.29 125.24 1ppx s HIS 64 Ca 0.60 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 1ppx s HIS 64 Cb 0.03 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.28 1ppx s HIS 64 CO 0.10 -0.15 0.00 0.34 -0.85 0.00 0.00 174.74 174.18 1ppx n PHE 65 N 4.42 0.00 0.00 1.40 7.35 -1.26 -4.91 117.46 124.46 1ppx n PHE 65 Ca -0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.48 1ppx n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1ppx n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ppx n SER 66 N 0.00 0.00 -4.72 -2.13 2.88 -0.84 -3.84 113.62 104.97 1ppx n SER 66 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1ppx n SER 66 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ppx n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ppx s LEU 67 N 0.00 3.65 -0.04 2.46 0.20 -1.26 0.16 118.68 123.85 1ppx s LEU 67 Ca 0.00 -0.00 -0.01 0.00 0.69 0.00 0.00 54.13 54.81 1ppx s LEU 67 Cb 0.00 -2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1ppx s LEU 67 CO 0.00 0.24 -0.04 0.33 -0.29 0.00 0.00 176.35 176.59 1ppx n PHE 68 N 1.01 0.00 -3.58 5.38 -0.00 -0.87 -4.10 117.46 115.30 1ppx n PHE 68 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.25 1ppx n PHE 68 Cb 0.52 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.48 39.82 1ppx n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1ppx s GLU 69 N -2.07 0.50 -0.02 -4.13 2.12 0.13 -4.96 118.70 110.26 1ppx s GLU 69 Ca -0.05 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1ppx s GLU 69 Cb 0.02 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.66 1ppx s GLU 69 CO 0.08 -0.18 -0.00 -1.59 -0.54 0.00 0.00 175.26 173.02 1ppx s LYS 70 N -1.75 0.26 -0.15 4.30 -2.85 -1.26 0.14 119.74 118.43 1ppx s LYS 70 Ca 0.03 0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.06 1ppx s LYS 70 Cb -0.01 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.36 1ppx s LYS 70 CO -0.03 -0.10 -0.18 -1.17 0.10 0.00 0.00 175.35 173.97 1ppx s LEU 71 N 0.79 2.31 -0.28 2.77 2.96 0.63 -4.94 118.68 122.92 1ppx s LEU 71 Ca -0.08 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1ppx s LEU 71 Cb -0.11 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.12 1ppx s LEU 71 CO -0.01 0.07 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.32 1ppx s GLU 72 N 0.90 2.31 0.07 1.98 2.12 -1.26 -1.16 118.70 123.66 1ppx s GLU 72 Ca -0.04 -1.32 0.03 0.00 0.36 0.00 0.00 54.97 54.00 1ppx s GLU 72 Cb -0.15 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1ppx s GLU 72 CO -0.02 -0.59 -0.09 -0.47 -0.54 0.00 0.00 175.26 173.54 1ppx s TYR 73 N 1.16 0.89 -0.04 5.30 5.04 -1.16 -5.05 117.35 123.49 1ppx s TYR 73 Ca -0.07 -0.61 0.04 0.00 -2.44 0.00 0.00 57.07 53.99 1ppx s TYR 73 Cb -0.20 -0.51 -0.03 0.00 0.35 0.00 0.00 41.96 41.58 1ppx s TYR 73 CO -0.03 -0.05 -0.16 -1.83 -1.34 0.00 0.00 175.55 172.14 1ppx s GLU 74 N -2.33 2.44 0.32 4.97 -1.05 -1.26 -1.98 118.70 119.81 1ppx s GLU 74 Ca -0.01 -0.73 0.08 0.00 -0.15 0.00 0.00 54.97 54.16 1ppx s GLU 74 Cb -0.05 -2.33 -0.03 0.00 -0.44 0.00 0.00 34.13 31.27 1ppx s GLU 74 CO -0.00 0.61 0.24 -0.06 0.95 0.00 0.00 175.26 177.00 1ppx s PHE 75 N -0.72 2.91 -0.12 4.83 0.40 0.29 -4.89 117.98 120.68 1ppx s PHE 75 Ca 0.11 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1ppx s PHE 75 Cb -0.11 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1ppx s PHE 75 CO 0.00 0.30 1.10 -2.30 0.70 0.00 0.00 175.22 175.02 1ppx n PRO 76 N -1.28 0.00 -1.29 0.24 -0.02 -1.26 0.19 135.00 131.58 1ppx n PRO 76 Ca -0.03 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.36 1ppx n PRO 76 Cb 0.60 -0.96 -0.03 0.00 -0.02 0.00 0.00 33.50 33.08 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ppx n ASP 77 N 4.45 -3.96 -3.56 2.55 9.92 -1.26 -4.98 116.55 119.72 1ppx n ASP 77 Ca 0.08 0.20 -0.29 0.00 -0.53 0.00 0.00 54.79 54.25 1ppx n ASP 77 Cb 0.44 -2.25 -0.13 0.00 -0.64 0.00 0.00 41.12 38.54 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ppx s ARG 78 N -2.80 0.59 -0.65 -1.24 6.06 0.51 -2.52 118.95 118.90 1ppx s ARG 78 Ca 0.00 -1.19 -0.27 0.00 -2.50 0.00 0.00 55.73 51.77 1ppx s ARG 78 Cb 0.00 -1.51 0.00 0.00 0.06 0.00 0.00 34.95 33.50 1ppx s ARG 78 CO 0.00 -1.12 1.56 -1.01 -2.50 0.00 0.00 175.30 172.23 1ppx s HIS 79 N 1.30 2.01 -0.35 5.12 3.76 0.01 0.11 115.29 127.24 1ppx s HIS 79 Ca 0.15 0.41 -0.13 0.00 -0.15 0.00 0.00 55.06 55.34 1ppx s HIS 79 Cb -0.21 -4.35 -0.01 0.00 1.11 0.00 0.00 32.58 29.12 1ppx s HIS 79 CO -0.12 -2.18 0.24 -1.50 -0.85 0.00 0.00 174.74 170.34 1ppx s ILE 80 N 7.23 5.26 -0.17 0.60 2.07 -0.84 0.11 121.20 135.46 1ppx s ILE 80 Ca 0.53 -0.28 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1ppx s ILE 80 Cb -0.11 -3.73 -0.03 0.00 0.13 0.00 0.00 42.46 38.73 1ppx s ILE 80 CO 0.20 -0.04 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.28 1ppx s THR 81 N 1.71 4.05 -0.19 4.00 2.01 0.18 -2.98 115.64 124.43 1ppx s THR 81 Ca 0.06 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1ppx s THR 81 Cb -0.18 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.57 1ppx s THR 81 CO 0.10 0.47 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.66 1ppx s LEU 82 N 0.57 2.05 -0.23 4.42 1.43 -0.31 0.12 118.68 126.73 1ppx s LEU 82 Ca -0.01 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 1ppx s LEU 82 Cb -0.14 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1ppx s LEU 82 CO 0.02 -0.16 0.08 0.26 0.23 0.00 0.00 176.35 176.78 1ppx s TRP 83 N 1.48 3.13 -0.41 0.29 0.52 0.90 -0.27 118.94 124.58 1ppx s TRP 83 Ca -0.01 -0.25 -0.15 0.00 0.02 0.00 0.00 56.10 55.71 1ppx s TRP 83 Cb -0.16 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 29.97 1ppx s TRP 83 CO -0.08 -0.21 0.33 -0.06 0.02 0.00 0.00 176.95 176.94 1ppx s PHE 84 N 1.32 3.23 0.03 -1.98 0.40 0.38 0.65 117.98 122.01 1ppx s PHE 84 Ca 0.05 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1ppx s PHE 84 Cb -0.15 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1ppx s PHE 84 CO 0.04 -0.62 0.21 -1.58 0.70 0.00 0.00 175.22 173.97 1ppx s TRP 85 N 1.76 3.53 -0.23 0.36 0.52 0.28 0.21 118.94 125.38 1ppx s TRP 85 Ca 0.06 0.32 -0.19 0.00 0.02 0.00 0.00 56.10 56.32 1ppx s TRP 85 Cb -0.19 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1ppx s TRP 85 CO 0.11 0.61 0.54 -1.17 0.02 0.00 0.00 176.95 177.06 1ppx s LEU 86 N -2.25 4.10 0.05 2.99 2.96 0.41 -1.82 118.68 125.13 1ppx s LEU 86 Ca 0.32 0.65 0.08 0.00 -0.22 0.00 0.00 54.13 54.95 1ppx s LEU 86 Cb -0.13 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1ppx s LEU 86 CO 0.23 -0.25 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.11 1ppx s VAL 87 N 2.00 1.74 -0.00 1.68 1.01 -1.17 -1.98 120.40 123.68 1ppx s VAL 87 Ca 0.24 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 1ppx s VAL 87 Cb -0.16 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1ppx s VAL 87 CO 0.09 0.20 -0.00 -0.08 0.00 0.00 0.00 175.10 175.31 1ppx h GLU 88 N 4.77 0.00 -2.75 2.72 4.81 -1.74 -3.21 114.58 119.18 1ppx h GLU 88 Ca -0.43 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1ppx h GLU 88 Cb 1.16 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1ppx h GLU 88 CO 0.43 0.00 0.32 -0.98 -0.73 0.00 0.00 179.01 178.05 1ppx s ARG 89 N -1.03 1.39 0.31 1.92 1.70 -0.17 -2.25 118.95 120.82 1ppx s ARG 89 Ca -0.00 -0.69 0.10 0.00 -0.47 0.00 0.00 55.73 54.66 1ppx s ARG 89 Cb 0.00 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 1ppx s ARG 89 CO 0.00 -0.63 -0.02 1.67 -1.08 0.00 0.00 175.30 175.25 1ppx s TRP 90 N -3.62 2.55 -0.97 5.89 -2.14 -1.26 -0.12 118.94 119.27 1ppx s TRP 90 Ca 0.08 -0.37 -0.02 0.00 2.66 0.00 0.00 56.10 58.45 1ppx s TRP 90 Cb -0.03 -1.35 0.28 0.00 -3.10 0.00 0.00 33.47 29.27 1ppx s TRP 90 CO -0.01 0.54 1.20 -1.91 -2.66 0.00 0.00 176.95 174.11 1ppx n GLU 91 N -0.90 3.75 0.00 3.25 2.13 -1.01 -4.74 120.64 123.12 1ppx n GLU 91 Ca -0.05 -4.57 0.00 0.00 0.66 0.00 0.00 57.16 53.21 1ppx n GLU 91 Cb 0.61 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1ppx n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ppx n GLY 92 N 1.46 0.72 2.79 8.31 0.00 -1.26 -4.67 105.19 112.54 1ppx n GLY 92 Ca 0.26 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1ppx n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ppx s GLU 93 N 0.00 0.80 0.02 1.61 2.02 -1.26 -5.13 118.70 116.76 1ppx s GLU 93 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 1ppx s GLU 93 Cb 0.00 -1.24 -0.05 0.00 0.10 0.00 0.00 34.13 32.95 1ppx s GLU 93 CO 0.00 -0.34 1.15 -2.14 0.02 0.00 0.00 175.26 173.95 1ppx s PRO 94 N 1.90 4.44 0.00 0.39 0.02 -1.26 -4.69 135.00 135.81 1ppx s PRO 94 Ca 0.04 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1ppx s PRO 94 Cb -0.13 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1ppx s PRO 94 CO -0.06 -0.25 0.00 -2.67 -0.33 0.00 0.00 177.00 173.69 1ppx n TRP 95 N 4.19 0.00 0.00 6.54 4.27 0.05 -4.98 117.44 127.51 1ppx n TRP 95 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 1ppx n TRP 95 Cb 0.47 0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1ppx n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ppx n GLY 96 N 3.44 -0.36 0.23 -1.67 0.00 -0.90 -4.35 105.19 101.58 1ppx n GLY 96 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ppx n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ppx n LYS 97 N 0.00 0.00 0.02 1.61 4.81 -1.16 -4.50 118.16 118.94 1ppx n LYS 97 Ca 0.00 0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.42 1ppx n LYS 97 Cb 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 35.03 34.69 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1ppx h GLU 98 N 0.00 0.05 0.00 1.64 -0.00 -1.80 -3.46 114.58 111.01 1ppx h GLU 98 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 1ppx h GLU 98 Cb 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1ppx h GLU 98 CO 0.00 0.77 0.00 0.41 -0.00 0.00 0.00 179.01 180.19 1ppx n GLY 99 N 1.53 0.76 2.55 1.06 0.00 -1.26 -4.96 105.19 104.87 1ppx n GLY 99 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1ppx n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppx s GLN 100 N 0.00 0.17 0.42 1.61 0.74 -1.26 -4.90 119.66 116.44 1ppx s GLN 100 Ca 0.00 -0.47 -0.22 0.00 0.05 0.00 0.00 55.36 54.73 1ppx s GLN 100 Cb 0.00 -1.25 -0.14 0.00 1.10 0.00 0.00 33.01 32.73 1ppx s GLN 100 CO 0.00 -0.97 0.34 -2.30 -0.55 0.00 0.00 175.29 171.81 1ppx n PRO 101 N 5.25 0.31 -4.43 1.67 -0.02 -1.26 -4.40 135.00 132.12 1ppx n PRO 101 Ca -0.06 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.30 1ppx n PRO 101 Cb 0.43 -1.28 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 1ppx n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ppx s GLY 102 N -0.98 2.43 0.08 -1.23 0.00 -1.26 -2.53 107.32 103.83 1ppx s GLY 102 Ca 0.62 -1.53 -0.17 0.00 0.00 0.00 0.00 44.72 43.64 1ppx s GLY 102 CO 0.60 -1.71 0.40 1.85 0.00 0.00 0.00 173.10 174.24 1ppx s GLU 103 N -3.68 0.98 -0.34 2.90 2.12 -1.19 -4.95 118.70 114.54 1ppx s GLU 103 Ca 0.30 -0.55 -0.27 0.00 0.36 0.00 0.00 54.97 54.81 1ppx s GLU 103 Cb 0.03 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 1ppx s GLU 103 CO 0.18 -0.36 2.20 -1.58 -0.54 0.00 0.00 175.26 175.16 1ppx s TRP 104 N -3.14 1.25 0.23 5.30 0.51 -1.26 -3.65 118.94 118.17 1ppx s TRP 104 Ca -0.01 0.88 0.12 0.00 -2.12 0.00 0.00 56.10 54.97 1ppx s TRP 104 Cb 0.01 -3.86 -0.05 0.00 -0.81 0.00 0.00 33.47 28.76 1ppx s TRP 104 CO -0.07 -3.36 -0.22 -1.64 -0.51 0.00 0.00 176.95 171.15 1ppx s MET 105 N 6.89 1.58 -0.20 4.98 -1.94 -0.21 -4.87 119.30 125.54 1ppx s MET 105 Ca 0.95 -1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1ppx s MET 105 Cb -0.26 -1.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 1ppx s MET 105 CO 0.31 0.37 1.75 -1.54 -0.01 0.00 0.00 175.02 175.90 1ppx s SER 106 N -3.00 6.23 0.42 3.03 1.04 -1.26 0.18 113.70 120.33 1ppx s SER 106 Ca 0.24 1.76 0.22 0.00 0.48 0.00 0.00 55.95 58.66 1ppx s SER 106 Cb -0.07 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 63.95 1ppx s SER 106 CO 0.12 -1.36 1.63 0.25 0.98 0.00 0.00 173.24 174.86 1ppx h LEU 107 N 12.16 0.00 -0.63 2.42 7.12 -1.86 -3.17 115.31 131.35 1ppx h LEU 107 Ca -0.37 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.64 1ppx h LEU 107 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1ppx h LEU 107 CO 0.99 0.12 0.00 0.55 -0.13 0.00 0.00 178.44 179.97 1ppx n VAL 108 N -3.14 1.29 -2.10 1.05 3.14 -1.26 -2.35 118.33 114.96 1ppx n VAL 108 Ca 0.03 0.49 -0.23 0.00 -2.96 0.00 0.00 64.34 61.67 1ppx n VAL 108 Cb 0.54 -1.44 0.02 0.00 -1.06 0.00 0.00 33.84 31.90 1ppx n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppx n GLY 109 N -0.92 6.11 3.74 7.55 0.00 -1.20 -4.94 105.19 115.54 1ppx n GLY 109 Ca 0.00 -2.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.02 1ppx n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ppx s LEU 110 N -3.60 4.36 -0.03 0.99 2.96 -0.99 -5.00 118.68 117.36 1ppx s LEU 110 Ca 0.49 2.81 0.06 0.00 -0.22 0.00 0.00 54.13 57.27 1ppx s LEU 110 Cb 0.40 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.46 1ppx s LEU 110 CO 0.02 -0.83 -0.22 0.20 -1.32 0.00 0.00 176.35 174.20 1ppx s ASN 111 N 0.57 2.60 0.30 3.68 -0.87 -1.26 -4.71 114.94 115.26 1ppx s ASN 111 Ca 0.63 -0.41 0.26 0.00 -1.57 0.00 0.00 52.86 51.77 1ppx s ASN 111 Cb -0.45 -0.50 0.99 0.00 -0.02 0.00 0.00 41.25 41.27 1ppx s ASN 111 CO 0.43 0.24 1.76 0.00 -2.57 0.00 0.00 177.10 176.96 1ppx h ALA 112 N 5.86 1.00 0.01 0.60 0.00 -1.93 -2.87 119.26 121.94 1ppx h ALA 112 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ppx h ALA 112 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ppx h ALA 112 CO 0.48 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.84 1ppx h ASP 113 N 0.00 0.07 -0.51 0.00 1.82 -1.95 -3.36 116.42 112.50 1ppx h ASP 113 Ca 0.00 -0.94 -0.11 0.00 -0.39 0.00 0.00 57.03 55.59 1ppx h ASP 113 Cb 0.48 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1ppx h ASP 113 CO 0.00 1.00 -0.09 -2.24 -1.61 0.00 0.00 179.24 176.31 1ppx h ASP 114 N -0.86 0.98 -4.26 2.28 2.03 -1.85 -3.43 116.42 111.30 1ppx h ASP 114 Ca -0.02 -0.31 -0.46 0.00 -0.73 0.00 0.00 57.03 55.52 1ppx h ASP 114 Cb 1.03 -0.26 0.14 0.00 -0.83 0.00 0.00 39.33 39.40 1ppx h ASP 114 CO 0.02 1.08 0.39 0.72 -1.03 0.00 0.00 179.24 180.42 1ppx s PHE 115 N -4.87 2.18 0.19 4.15 -0.71 -1.09 -0.41 117.98 117.43 1ppx s PHE 115 Ca -0.11 0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 56.04 1ppx s PHE 115 Cb 0.13 -3.76 -0.08 0.00 -1.21 0.00 0.00 43.02 38.11 1ppx s PHE 115 CO 0.85 -2.33 1.04 -1.25 -1.34 0.00 0.00 175.22 172.19 1ppx s PRO 116 N -5.68 4.68 0.27 1.99 0.04 -0.92 -4.33 135.00 131.05 1ppx s PRO 116 Ca 0.68 1.63 0.18 0.00 0.04 0.00 0.00 61.00 63.53 1ppx s PRO 116 Cb -0.08 -3.28 1.00 0.00 0.04 0.00 0.00 34.50 32.17 1ppx s PRO 116 CO 0.52 0.22 1.56 -0.35 0.04 0.00 0.00 177.00 178.99 1ppx n PRO 117 N 2.09 0.12 0.00 0.56 -0.04 -1.26 -2.59 135.00 133.87 1ppx n PRO 117 Ca 0.01 0.62 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1ppx n PRO 117 Cb 0.47 -1.89 0.08 0.00 -0.04 0.00 0.00 33.50 32.12 1ppx n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ppx n ALA 118 N -1.74 1.19 -2.69 0.55 0.00 -1.26 -3.04 120.51 113.52 1ppx n ALA 118 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1ppx n ALA 118 Cb 0.03 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.45 1ppx n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 119 N -1.49 1.65 0.19 0.00 5.03 -1.07 -4.95 115.26 114.62 1ppx n ASN 119 Ca 0.01 -2.60 -0.11 0.00 0.87 0.00 0.00 54.58 52.75 1ppx n ASN 119 Cb 0.05 -0.51 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 1ppx n ASN 119 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1ppx h GLU 120 N 2.88 -0.52 -1.47 3.52 4.11 -1.75 -2.57 114.58 118.78 1ppx h GLU 120 Ca -0.09 0.04 0.43 0.00 0.07 0.00 0.00 59.36 59.81 1ppx h GLU 120 Cb 1.20 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1ppx h GLU 120 CO 0.44 -0.25 1.05 -1.35 0.07 0.00 0.00 179.01 178.97 1ppx h PRO 121 N -1.05 0.03 0.01 1.06 0.11 -1.92 0.77 132.00 131.01 1ppx h PRO 121 Ca -0.05 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ppx h PRO 121 Cb 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1ppx h PRO 121 CO 0.09 0.02 -0.01 0.28 -0.21 0.00 0.00 178.00 178.18 1ppx h VAL 122 N 0.03 1.54 -0.10 3.15 2.07 -1.95 -3.30 116.25 117.68 1ppx h VAL 122 Ca 0.73 -1.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 1ppx h VAL 122 Cb 2.79 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 35.35 1ppx h VAL 122 CO -0.07 0.48 -0.22 0.40 0.02 0.00 0.00 177.57 178.18 1ppx h ILE 123 N -0.88 1.21 -0.36 4.57 1.08 -0.31 -2.23 117.51 120.58 1ppx h ILE 123 Ca -0.00 -0.95 0.10 0.00 -0.39 0.00 0.00 64.86 63.62 1ppx h ILE 123 Cb 0.80 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1ppx h ILE 123 CO 0.00 0.29 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 1ppx h ALA 124 N 1.62 2.11 0.00 1.87 0.00 0.33 1.57 119.26 126.75 1ppx h ALA 124 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ppx h ALA 124 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ppx h ALA 124 CO 0.03 -0.53 -0.00 0.87 0.00 0.00 0.00 179.25 179.63 1ppx h LYS 125 N 0.00 -0.00 0.00 0.00 1.79 -1.50 -3.30 116.57 113.57 1ppx h LYS 125 Ca 0.17 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.45 1ppx h LYS 125 Cb 0.85 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 1ppx h LYS 125 CO -0.00 0.84 -0.91 1.25 -1.08 0.00 0.00 179.45 179.55 1ppx h LEU 126 N -1.00 0.01 -0.80 2.94 5.85 -1.43 -3.28 115.31 117.61 1ppx h LEU 126 Ca -0.00 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1ppx h LEU 126 Cb 0.84 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1ppx h LEU 126 CO 0.00 0.91 0.47 0.50 -0.34 0.00 0.00 178.44 179.99 1ppx h LYS 127 N 0.00 0.83 0.00 1.25 3.64 0.21 0.53 116.57 123.03 1ppx h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ppx h LYS 127 Cb 1.60 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1ppx h LYS 127 CO 0.12 0.55 0.00 -2.13 -2.27 0.00 0.00 179.45 175.72 1ppx n ARG 128 N -4.69 0.04 -0.54 1.90 0.63 -1.24 -4.86 116.66 107.90 1ppx n ARG 128 Ca 0.11 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1ppx n ARG 128 Cb 0.19 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.60 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40