#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 4.67 -0.01 0.03 2.36 -1.18 -4.97 119.74 120.63 1ppx s LYS 2 Ca 0.00 1.35 -0.00 0.00 -2.55 0.00 0.00 55.97 54.77 1ppx s LYS 2 Cb 0.00 -3.35 0.01 0.00 -1.05 0.00 0.00 37.83 33.44 1ppx s LYS 2 CO 0.00 0.30 0.01 0.21 1.55 0.00 0.00 175.35 177.42 1ppx s LYS 3 N -0.27 -0.01 -0.01 4.03 2.20 -1.26 0.07 119.74 124.49 1ppx s LYS 3 Ca 0.43 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1ppx s LYS 3 Cb -0.23 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1ppx s LYS 3 CO 0.28 -0.06 -0.02 -0.48 -0.36 0.00 0.00 175.35 174.71 1ppx s LEU 4 N 0.40 1.88 0.16 5.43 0.05 0.22 -4.91 118.68 121.91 1ppx s LEU 4 Ca -0.03 -0.04 0.04 0.00 0.05 0.00 0.00 54.13 54.15 1ppx s LEU 4 Cb -0.05 -0.13 -0.04 0.00 -2.05 0.00 0.00 46.19 43.92 1ppx s LEU 4 CO -0.01 0.01 0.21 -1.10 -0.55 0.00 0.00 176.35 174.91 1ppx s GLN 5 N 0.10 3.17 -0.09 1.48 -0.21 -1.26 -1.60 119.66 121.24 1ppx s GLN 5 Ca -0.01 -0.74 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 1ppx s GLN 5 Cb -0.03 -2.80 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1ppx s GLN 5 CO -0.00 0.50 0.23 0.42 -2.12 0.00 0.00 175.29 174.32 1ppx s ILE 6 N -1.76 -0.00 0.11 1.08 -1.09 0.55 -3.83 121.20 116.25 1ppx s ILE 6 Ca 0.33 0.01 0.08 0.00 -2.23 0.00 0.00 60.65 58.84 1ppx s ILE 6 Cb -0.10 -0.34 -0.04 0.00 -1.58 0.00 0.00 42.46 40.40 1ppx s ILE 6 CO 0.26 0.00 -0.21 0.00 -1.23 0.00 0.00 174.94 173.76 1ppx s ALA 7 N 0.20 1.87 -0.01 9.38 0.00 -1.26 0.63 121.76 132.58 1ppx s ALA 7 Ca -0.01 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 1ppx s ALA 7 Cb -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1ppx s ALA 7 CO -0.00 0.37 0.17 0.54 0.00 0.00 0.00 175.76 176.84 1ppx s VAL 8 N -1.20 0.07 -0.26 0.00 0.11 0.34 -3.77 120.40 115.69 1ppx s VAL 8 Ca 0.08 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1ppx s VAL 8 Cb -0.10 -0.44 0.14 0.00 -1.53 0.00 0.00 36.38 34.45 1ppx s VAL 8 CO 0.05 -0.32 0.39 -0.83 -3.33 0.00 0.00 175.10 171.05 1ppx s GLY 9 N -1.22 -0.46 -0.54 6.54 0.00 -1.21 0.13 107.32 110.56 1ppx s GLY 9 Ca -0.13 0.74 -0.27 0.00 0.00 0.00 0.00 44.72 45.05 1ppx s GLY 9 CO 0.02 2.77 1.65 -0.42 0.00 0.00 0.00 173.10 177.12 1ppx s ILE 10 N 2.55 3.56 -0.32 0.90 1.01 -1.17 -4.36 121.20 123.37 1ppx s ILE 10 Ca 0.12 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 1ppx s ILE 10 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1ppx s ILE 10 CO -0.20 -0.95 1.62 -0.51 0.00 0.00 0.00 174.94 174.90 1ppx s ILE 11 N 7.35 3.68 0.07 2.92 2.07 -1.26 -2.78 121.20 133.25 1ppx s ILE 11 Ca 0.62 0.72 -0.22 0.00 -1.41 0.00 0.00 60.65 60.37 1ppx s ILE 11 Cb -0.14 -3.83 -0.06 0.00 0.13 0.00 0.00 42.46 38.56 1ppx s ILE 11 CO 0.25 -0.47 0.64 -0.13 -1.91 0.00 0.00 174.94 173.32 1ppx s ARG 12 N 5.12 4.34 0.26 3.50 0.52 -1.24 0.74 118.95 132.19 1ppx s ARG 12 Ca 0.72 0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 56.78 1ppx s ARG 12 Cb -0.21 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.03 1ppx s ARG 12 CO 0.32 0.51 0.36 0.27 0.02 0.00 0.00 175.30 176.78 1ppx n ASN 13 N 2.07 0.39 0.00 0.23 0.23 0.48 -2.91 115.26 115.77 1ppx n ASN 13 Ca -0.08 -1.35 0.13 0.00 -0.53 0.00 0.00 54.58 52.75 1ppx n ASN 13 Cb 0.50 -0.24 0.79 0.00 -2.08 0.00 0.00 39.78 38.75 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ppx n GLU 14 N -1.68 0.91 -2.13 -3.83 4.07 -1.26 -3.67 120.64 113.05 1ppx n GLU 14 Ca 0.06 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.94 1ppx n GLU 14 Cb 0.20 -1.45 0.02 0.00 -0.06 0.00 0.00 31.44 30.15 1ppx n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ppx n ASN 15 N -0.95 4.52 -1.54 4.31 4.05 -1.26 -4.93 115.26 119.46 1ppx n ASN 15 Ca 0.20 -3.55 -0.14 0.00 0.45 0.00 0.00 54.58 51.55 1ppx n ASN 15 Cb 0.09 -0.36 -0.05 0.00 1.23 0.00 0.00 39.78 40.69 1ppx n ASN 15 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ppx n ASN 16 N -0.69 -3.67 -4.65 1.20 3.02 -1.24 -4.93 115.26 104.31 1ppx n ASN 16 Ca 0.39 0.31 -0.23 0.00 -0.03 0.00 0.00 54.58 55.02 1ppx n ASN 16 Cb 0.94 -3.37 -0.07 0.00 -0.61 0.00 0.00 39.78 36.67 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppx s GLU 17 N -3.41 2.22 -0.06 3.52 2.02 -1.26 -4.61 118.70 117.12 1ppx s GLU 17 Ca 0.00 -1.53 0.06 0.00 0.02 0.00 0.00 54.97 53.51 1ppx s GLU 17 Cb 0.00 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 1ppx s GLU 17 CO 0.00 0.27 -0.24 0.42 0.02 0.00 0.00 175.26 175.73 1ppx s ILE 18 N -2.40 2.18 -0.60 -1.63 1.01 0.30 0.18 121.20 120.25 1ppx s ILE 18 Ca 0.33 -1.02 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 1ppx s ILE 18 Cb -0.04 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.69 1ppx s ILE 18 CO 0.20 0.57 0.90 0.12 0.00 0.00 0.00 174.94 176.73 1ppx s PHE 19 N -0.22 2.78 0.29 3.97 5.36 0.23 -1.98 117.98 128.41 1ppx s PHE 19 Ca -0.02 -0.42 0.08 0.00 -0.96 0.00 0.00 56.93 55.62 1ppx s PHE 19 Cb -0.13 -4.11 -0.04 0.00 -0.34 0.00 0.00 43.02 38.40 1ppx s PHE 19 CO 0.03 -1.46 0.14 0.96 -1.46 0.00 0.00 175.22 173.43 1ppx s ILE 20 N 3.76 3.63 -0.42 3.12 -4.36 -1.26 -4.35 121.20 121.32 1ppx s ILE 20 Ca 0.23 -1.63 -0.24 0.00 -0.26 0.00 0.00 60.65 58.75 1ppx s ILE 20 Cb -0.16 -3.09 0.02 0.00 1.25 0.00 0.00 42.46 40.48 1ppx s ILE 20 CO 0.13 -0.28 0.85 0.42 0.24 0.00 0.00 174.94 176.30 1ppx s THR 21 N -2.30 4.60 -0.06 8.37 -4.23 0.29 -3.89 115.64 118.43 1ppx s THR 21 Ca 0.35 0.77 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 1ppx s THR 21 Cb -0.06 -4.33 0.01 0.00 1.34 0.00 0.00 72.50 69.46 1ppx s THR 21 CO 0.23 -0.65 -0.14 0.00 -0.54 0.00 0.00 174.62 173.51 1ppx s ARG 22 N 3.43 1.81 2.22 3.99 1.70 -1.26 -2.04 118.95 128.80 1ppx s ARG 22 Ca 0.34 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1ppx s ARG 22 Cb -0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 34.95 32.76 1ppx s ARG 22 CO 0.22 0.10 0.00 -2.13 -1.08 0.00 0.00 175.30 172.41 1ppx n ARG 23 N 3.59 0.00 0.00 3.89 0.63 -1.26 -4.79 116.66 118.72 1ppx n ARG 23 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1ppx n ARG 23 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ppx n ALA 24 N 8.46 0.00 0.02 5.13 0.00 -1.26 -4.62 120.51 128.23 1ppx n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.11 0.00 0.00 -1.26 -4.93 120.51 114.20 1ppx n ALA 25 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1ppx n ALA 25 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.44 1.92 0.00 0.00 5.75 -1.26 -5.06 116.55 115.46 1ppx n ASP 26 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1ppx n ASP 26 Cb 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 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 -3.66 0.00 -0.78 2.12 0.00 -1.26 -5.17 120.51 111.75 1ppx n ALA 27 Ca -0.41 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.11 1ppx n ALA 27 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.63 -2.55 -2.20 0.00 8.25 -1.26 -4.04 115.22 112.78 1ppx n HIS 28 Ca 0.00 0.74 -0.31 0.00 -0.26 0.00 0.00 57.72 57.89 1ppx n HIS 28 Cb 0.00 -1.32 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1ppx s MET 29 N -1.19 2.87 0.00 -0.41 -1.94 -1.26 -4.74 119.30 112.62 1ppx s MET 29 Ca 0.00 -0.58 0.28 0.00 -1.71 0.00 0.00 55.69 53.67 1ppx s MET 29 Cb 0.00 -5.16 1.01 0.00 2.01 0.00 0.00 34.83 32.69 1ppx s MET 29 CO 0.00 -3.06 1.76 0.00 -0.01 0.00 0.00 175.02 173.71 1ppx n ALA 30 N 12.48 2.80 1.35 3.03 0.00 -1.26 -3.39 120.51 135.51 1ppx n ALA 30 Ca 0.38 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1ppx n ALA 30 Cb 0.48 -1.34 0.44 0.00 0.00 0.00 0.00 19.45 19.03 1ppx n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ppx n ASN 31 N -1.40 1.52 -0.89 0.00 0.23 -1.26 -3.79 115.26 109.67 1ppx n ASN 31 Ca 0.08 -1.62 0.02 0.00 -0.53 0.00 0.00 54.58 52.52 1ppx n ASN 31 Cb 0.32 -0.07 0.21 0.00 -2.08 0.00 0.00 39.78 38.16 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ppx n LYS 32 N 0.21 1.97 -1.51 -3.83 5.02 -0.80 -4.18 118.16 115.05 1ppx n LYS 32 Ca 0.17 -3.05 -0.27 0.00 -2.02 0.00 0.00 58.31 53.14 1ppx n LYS 32 Cb 0.32 -1.76 -0.16 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.03 -0.11 0.00 -0.35 0.00 0.22 -4.47 117.00 111.26 1ppx n LEU 33 Ca 0.27 -0.52 -0.29 0.00 0.00 0.00 0.00 56.01 55.46 1ppx n LEU 33 Cb 0.91 -0.92 -0.07 0.00 0.00 0.00 0.00 43.42 43.33 1ppx n LEU 33 CO 0.13 -1.47 -0.20 1.21 0.00 0.00 0.00 177.39 177.06 1ppx n GLU 34 N 7.17 0.63 -4.57 1.96 2.13 -0.86 -3.28 120.64 123.82 1ppx n GLU 34 Ca 0.61 -3.71 -0.27 0.00 0.66 0.00 0.00 57.16 54.45 1ppx n GLU 34 Cb 0.20 1.59 -0.11 0.00 0.27 0.00 0.00 31.44 33.39 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ppx s PHE 35 N -3.06 2.48 1.06 4.31 -0.12 -1.26 -0.55 117.98 120.85 1ppx s PHE 35 Ca 0.13 -0.60 -0.22 0.00 -0.05 0.00 0.00 56.93 56.19 1ppx s PHE 35 Cb 0.01 -1.64 -0.03 0.00 -0.63 0.00 0.00 43.02 40.73 1ppx s PHE 35 CO 0.09 0.49 -0.59 -0.35 -0.05 0.00 0.00 175.22 174.81 1ppx n PRO 36 N -0.92 -0.83 0.00 1.99 -0.04 -1.26 -4.76 135.00 129.18 1ppx n PRO 36 Ca -0.05 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1ppx n PRO 36 Cb 0.66 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1ppx n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ppx n GLY 37 N 2.62 0.81 2.73 0.55 0.00 -1.25 -3.31 105.19 107.35 1ppx n GLY 37 Ca -0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.65 -0.05 0.00 -0.02 0.00 -1.25 -3.98 107.32 100.38 1ppx s GLY 38 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1ppx s GLY 38 CO 0.00 2.51 0.00 1.17 0.00 0.00 0.00 173.10 176.78 1ppx n LYS 39 N 5.31 0.00 0.00 2.90 4.81 -1.26 -5.06 118.16 124.86 1ppx n LYS 39 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1ppx n LYS 39 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1ppx n LYS 39 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1ppx n ILE 40 N 0.00 0.00 0.00 3.15 3.06 -1.26 -3.60 119.36 120.71 1ppx n ILE 40 Ca 0.00 1.29 0.00 0.00 -2.50 0.00 0.00 62.75 61.54 1ppx n ILE 40 Cb 0.00 -1.87 0.00 0.00 0.54 0.00 0.00 39.64 38.31 1ppx n ILE 40 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1ppx n GLU 41 N -2.02 0.00 0.00 9.51 0.28 -1.25 -4.38 120.64 122.78 1ppx n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ppx n GLU 41 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.16 0.00 -0.28 3.44 2.81 -1.24 -2.75 117.12 118.95 1ppx n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1ppx n MET 42 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.77 0.00 3.03 0.00 -1.26 -5.09 105.19 102.64 1ppx n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.73 -4.11 1.61 4.71 -1.11 -5.09 120.64 117.38 1ppx n GLU 44 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.90 1ppx n GLU 44 Cb 0.39 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.76 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 -0.26 4.33 0.61 2.62 2.01 -1.26 -4.79 115.64 118.90 1ppx s THR 45 Ca 0.00 -1.21 0.25 0.00 0.31 0.00 0.00 61.69 61.04 1ppx s THR 45 Cb 0.00 -3.23 0.35 0.00 0.01 0.00 0.00 72.50 69.64 1ppx s THR 45 CO 0.00 -0.15 1.46 1.55 -0.69 0.00 0.00 174.62 176.78 1ppx h PRO 46 N 2.30 0.00 0.00 4.92 0.13 -1.98 1.68 132.00 139.05 1ppx h PRO 46 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1ppx h PRO 46 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1ppx h PRO 46 CO 0.62 0.00 -1.28 0.39 -0.23 0.00 0.00 178.00 177.50 1ppx n GLU 47 N -3.28 0.53 0.00 0.86 -0.58 -1.26 -4.41 120.64 112.49 1ppx n GLU 47 Ca 0.17 0.42 0.15 0.00 -0.42 0.00 0.00 57.16 57.47 1ppx n GLU 47 Cb 1.22 -1.61 0.77 0.00 -0.57 0.00 0.00 31.44 31.25 1ppx n GLU 47 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ppx n GLN 48 N -4.45 0.52 0.27 3.49 6.02 -0.61 -3.33 117.38 119.29 1ppx n GLN 48 Ca -0.26 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.56 1ppx n GLN 48 Cb 0.57 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ppx h ALA 49 N 3.51 -0.70 0.16 -1.58 0.00 0.23 -2.82 119.26 118.05 1ppx h ALA 49 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1ppx h ALA 49 Cb 0.26 0.27 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ppx h ALA 49 CO 0.00 -0.76 -1.31 -0.24 0.00 0.00 0.00 179.25 176.94 1ppx h VAL 50 N -0.97 1.28 -0.97 0.00 3.04 -1.78 -2.95 116.25 113.89 1ppx h VAL 50 Ca -0.07 -2.52 0.23 0.00 -1.01 0.00 0.00 66.70 63.32 1ppx h VAL 50 Cb 0.62 2.78 -0.08 0.00 -2.01 0.00 0.00 31.29 32.60 1ppx h VAL 50 CO 0.12 0.77 0.64 0.58 -1.01 0.00 0.00 177.57 178.66 1ppx h VAL 51 N 0.25 0.61 0.01 1.51 2.07 -1.66 1.57 116.25 120.62 1ppx h VAL 51 Ca -0.21 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1ppx h VAL 51 Cb 1.99 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1ppx h VAL 51 CO 0.25 0.08 -0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1ppx h ARG 52 N 0.43 0.03 0.00 1.57 9.65 -1.55 -3.24 114.38 121.26 1ppx h ARG 52 Ca 0.53 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.36 1ppx h ARG 52 Cb 1.30 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1ppx h ARG 52 CO -0.24 0.93 -0.02 1.49 2.80 0.00 0.00 179.97 184.93 1ppx h GLU 53 N -0.84 0.00 -0.61 0.20 4.57 -1.04 -2.72 114.58 114.14 1ppx h GLU 53 Ca -0.01 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1ppx h GLU 53 Cb 0.96 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 1ppx h GLU 53 CO 0.01 0.02 0.33 1.25 -1.18 0.00 0.00 179.01 179.45 1ppx h LEU 54 N 0.00 0.49 -0.94 1.64 5.85 0.22 -0.74 115.31 121.83 1ppx h LEU 54 Ca -0.00 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1ppx h LEU 54 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1ppx h LEU 54 CO 0.00 0.32 -0.51 1.56 -0.34 0.00 0.00 178.44 179.47 1ppx h GLN 55 N 0.62 0.04 0.00 1.25 1.08 -1.61 -0.46 115.11 116.04 1ppx h GLN 55 Ca 0.27 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.38 1ppx h GLN 55 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1ppx h GLN 55 CO -0.17 0.55 -0.29 1.49 -0.95 0.00 0.00 178.83 179.46 1ppx h GLU 56 N 0.04 0.00 -0.32 1.46 4.81 -1.27 1.08 114.58 120.37 1ppx h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ppx h GLU 56 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ppx h GLU 56 CO 0.07 0.29 0.00 0.39 -0.73 0.00 0.00 179.01 179.03 1ppx n GLU 57 N -3.66 2.32 0.00 1.92 4.71 -0.40 -3.58 120.64 121.96 1ppx n GLU 57 Ca -0.01 -1.96 0.00 0.00 -0.01 0.00 0.00 57.16 55.18 1ppx n GLU 57 Cb 0.41 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.52 1ppx n GLU 57 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1ppx n VAL 58 N 0.78 0.00 0.00 2.62 3.14 -0.22 -4.06 118.33 120.60 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 2.08 0.43 1.58 7.55 0.00 0.37 -0.16 105.19 117.03 1ppx n GLY 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.00 -3.66 -0.61 -6.64 -1.26 -4.92 119.36 102.27 1ppx n ILE 60 Ca 0.00 -0.53 -0.38 0.00 -1.77 0.00 0.00 62.75 60.07 1ppx n ILE 60 Cb 0.00 -1.47 -0.08 0.00 -1.44 0.00 0.00 39.64 36.65 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 -1.62 4.06 0.14 7.28 -4.23 -1.26 -4.98 115.64 115.03 1ppx s THR 61 Ca 0.29 -3.07 0.07 0.00 -1.18 0.00 0.00 61.69 57.80 1ppx s THR 61 Cb -0.01 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1ppx s THR 61 CO 0.20 -0.93 -0.03 -2.16 -0.54 0.00 0.00 174.62 171.16 1ppx s PRO 62 N -0.27 2.35 -1.24 3.99 0.04 -1.26 -2.81 135.00 135.79 1ppx s PRO 62 Ca 0.19 -1.05 -0.20 0.00 0.04 0.00 0.00 61.00 59.97 1ppx s PRO 62 Cb -0.17 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1ppx s PRO 62 CO -0.05 0.48 1.84 -0.65 0.04 0.00 0.00 177.00 178.66 1ppx s GLN 63 N -2.67 3.21 -0.09 4.56 -0.21 0.48 -4.85 119.66 120.10 1ppx s GLN 63 Ca 0.26 -1.57 0.02 0.00 0.02 0.00 0.00 55.36 54.08 1ppx s GLN 63 Cb -0.10 -5.39 0.01 0.00 1.00 0.00 0.00 33.01 28.54 1ppx s GLN 63 CO 0.17 -3.17 -0.13 -1.58 -2.12 0.00 0.00 175.29 168.46 1ppx s HIS 64 N 7.79 1.67 0.00 0.91 2.46 -1.22 0.42 115.29 127.33 1ppx s HIS 64 Ca 0.61 -0.71 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1ppx s HIS 64 Cb 0.02 -1.23 0.00 0.00 -0.13 0.00 0.00 32.58 31.23 1ppx s HIS 64 CO 0.11 -0.38 0.00 0.34 -2.47 0.00 0.00 174.74 172.34 1ppx n PHE 65 N 4.06 0.00 -1.19 3.88 -0.00 -1.25 -4.94 117.46 118.02 1ppx n PHE 65 Ca -0.20 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.38 1ppx n PHE 65 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.93 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ppx n SER 66 N 0.00 -5.85 -3.95 -2.13 7.64 -1.23 -2.22 113.62 105.88 1ppx n SER 66 Ca 0.00 0.97 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 1ppx n SER 66 Cb 0.00 -3.98 -0.16 0.00 -1.01 0.00 0.00 64.21 59.07 1ppx n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ppx s LEU 67 N -6.46 2.61 0.07 -3.43 0.20 -1.26 -0.07 118.68 110.34 1ppx s LEU 67 Ca 0.00 -1.17 -0.14 0.00 0.69 0.00 0.00 54.13 53.51 1ppx s LEU 67 Cb 0.00 -1.21 -0.26 0.00 -0.43 0.00 0.00 46.19 44.29 1ppx s LEU 67 CO 0.00 -0.23 1.15 0.15 -0.29 0.00 0.00 176.35 177.13 1ppx h PHE 68 N 7.94 1.02 -1.85 5.38 3.04 -1.57 -3.42 116.94 127.47 1ppx h PHE 68 Ca -0.19 -0.60 0.22 0.00 3.98 0.00 0.00 57.97 61.38 1ppx h PHE 68 Cb 1.07 -0.10 -0.14 0.00 2.56 0.00 0.00 35.95 39.34 1ppx h PHE 68 CO 0.51 1.44 0.67 -2.00 -2.02 0.00 0.00 178.31 176.91 1ppx s GLU 69 N -3.13 0.64 -0.17 1.11 2.12 -0.26 -5.00 118.70 114.01 1ppx s GLU 69 Ca -0.09 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 1ppx s GLU 69 Cb 0.06 0.25 0.08 0.00 0.26 0.00 0.00 34.13 34.78 1ppx s GLU 69 CO 0.93 -0.29 0.18 -1.59 -0.54 0.00 0.00 175.26 173.95 1ppx s LYS 70 N -2.77 0.13 -0.21 4.30 0.00 -1.26 0.27 119.74 120.19 1ppx s LYS 70 Ca 0.10 0.21 -0.11 0.00 0.00 0.00 0.00 55.97 56.17 1ppx s LYS 70 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 37.83 36.62 1ppx s LYS 70 CO -0.04 -0.59 0.16 -1.17 0.00 0.00 0.00 175.35 173.71 1ppx s LEU 71 N 2.27 4.18 -0.20 2.77 2.96 -0.50 -4.95 118.68 125.20 1ppx s LEU 71 Ca 0.05 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1ppx s LEU 71 Cb -0.15 -2.13 0.06 0.00 0.50 0.00 0.00 46.19 44.47 1ppx s LEU 71 CO -0.10 0.12 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.35 1ppx s GLU 72 N 0.66 1.03 0.02 1.98 2.12 -1.26 -1.21 118.70 122.05 1ppx s GLU 72 Ca 0.09 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.81 1ppx s GLU 72 Cb -0.12 -2.25 -0.02 0.00 0.26 0.00 0.00 34.13 32.00 1ppx s GLU 72 CO 0.01 -0.61 -0.04 1.52 -0.54 0.00 0.00 175.26 175.61 1ppx s TYR 73 N 1.69 0.33 -0.14 5.30 1.13 -1.05 -5.04 117.35 119.57 1ppx s TYR 73 Ca -0.02 -0.54 0.02 0.00 -1.41 0.00 0.00 57.07 55.12 1ppx s TYR 73 Cb -0.17 -0.23 0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1ppx s TYR 73 CO -0.07 -0.18 -0.20 -1.83 -2.51 0.00 0.00 175.55 170.75 1ppx s GLU 74 N -1.53 2.85 0.79 -3.49 -1.05 -1.26 -1.57 118.70 113.43 1ppx s GLU 74 Ca -0.15 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 53.77 1ppx s GLU 74 Cb -0.10 -2.33 0.06 0.00 -0.44 0.00 0.00 34.13 31.33 1ppx s GLU 74 CO -0.01 -0.04 1.09 -0.06 0.95 0.00 0.00 175.26 177.19 1ppx s PHE 75 N 0.88 2.79 -0.68 4.83 0.40 0.39 -4.80 117.98 121.78 1ppx s PHE 75 Ca -0.06 1.27 -0.16 0.00 -0.60 0.00 0.00 56.93 57.38 1ppx s PHE 75 Cb -0.15 -3.07 -0.16 0.00 0.51 0.00 0.00 43.02 40.15 1ppx s PHE 75 CO -0.02 -1.75 1.83 -0.35 0.70 0.00 0.00 175.22 175.62 1ppx n PRO 76 N -3.45 0.13 -0.29 0.24 -0.04 -1.26 0.13 135.00 130.47 1ppx n PRO 76 Ca 0.07 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1ppx n PRO 76 Cb 0.55 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ppx n ASP 77 N 12.88 -0.86 -4.02 3.54 8.00 -1.26 -5.08 116.55 129.75 1ppx n ASP 77 Ca 0.33 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.71 1ppx n ASP 77 Cb 0.42 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ppx s ARG 78 N -0.62 0.42 -0.38 -1.24 6.06 0.36 -3.13 118.95 120.42 1ppx s ARG 78 Ca 0.00 -0.63 0.04 0.00 -2.50 0.00 0.00 55.73 52.64 1ppx s ARG 78 Cb 0.00 -0.16 0.11 0.00 0.06 0.00 0.00 34.95 34.96 1ppx s ARG 78 CO 0.00 0.02 0.11 -1.58 -2.50 0.00 0.00 175.30 171.35 1ppx s HIS 79 N -1.24 3.49 -0.36 5.12 2.46 0.11 0.15 115.29 125.02 1ppx s HIS 79 Ca -0.10 -2.98 -0.12 0.00 0.47 0.00 0.00 55.06 52.33 1ppx s HIS 79 Cb -0.09 -2.83 0.01 0.00 -0.13 0.00 0.00 32.58 29.55 1ppx s HIS 79 CO -0.00 -0.89 0.22 -1.50 -2.47 0.00 0.00 174.74 170.10 1ppx s ILE 80 N 0.63 4.81 -0.15 0.89 2.07 -0.61 0.68 121.20 129.52 1ppx s ILE 80 Ca 0.13 -0.65 -0.00 0.00 -1.41 0.00 0.00 60.65 58.71 1ppx s ILE 80 Cb -0.21 -3.61 -0.01 0.00 0.13 0.00 0.00 42.46 38.77 1ppx s ILE 80 CO -0.07 -0.16 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.78 1ppx s THR 81 N 1.61 2.90 -0.18 4.00 2.01 -0.63 -2.52 115.64 122.83 1ppx s THR 81 Ca 0.04 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1ppx s THR 81 Cb -0.18 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.14 1ppx s THR 81 CO 0.08 0.51 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.67 1ppx s LEU 82 N 0.69 1.92 -0.23 4.42 1.02 -0.35 0.21 118.68 126.35 1ppx s LEU 82 Ca -0.07 -0.74 -0.16 0.00 0.02 0.00 0.00 54.13 53.18 1ppx s LEU 82 Cb -0.15 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 1ppx s LEU 82 CO 0.02 -0.15 0.40 0.26 0.02 0.00 0.00 176.35 176.90 1ppx s TRP 83 N 1.51 3.32 -0.41 0.29 0.52 0.20 -1.41 118.94 122.96 1ppx s TRP 83 Ca 0.00 0.55 -0.15 0.00 0.02 0.00 0.00 56.10 56.52 1ppx s TRP 83 Cb -0.15 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1ppx s TRP 83 CO -0.08 -0.12 0.32 -0.06 0.02 0.00 0.00 176.95 177.03 1ppx s PHE 84 N 1.69 3.23 0.11 -1.98 0.40 0.14 0.13 117.98 121.70 1ppx s PHE 84 Ca 0.18 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 1ppx s PHE 84 Cb -0.15 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1ppx s PHE 84 CO 0.09 -0.61 0.36 -1.58 0.70 0.00 0.00 175.22 174.18 1ppx s TRP 85 N 1.72 3.51 -0.48 0.36 0.52 0.34 -1.10 118.94 123.80 1ppx s TRP 85 Ca 0.06 0.58 -0.14 0.00 0.02 0.00 0.00 56.10 56.62 1ppx s TRP 85 Cb -0.19 -2.02 0.10 0.00 -1.15 0.00 0.00 33.47 30.21 1ppx s TRP 85 CO 0.10 0.48 0.40 -1.17 0.02 0.00 0.00 176.95 176.77 1ppx s LEU 86 N -2.42 5.72 0.34 2.99 2.96 0.90 -3.03 118.68 126.14 1ppx s LEU 86 Ca 0.38 -1.57 -0.24 0.00 -0.22 0.00 0.00 54.13 52.47 1ppx s LEU 86 Cb -0.13 -2.13 -0.10 0.00 0.50 0.00 0.00 46.19 44.33 1ppx s LEU 86 CO 0.23 -0.70 0.93 -0.69 -1.32 0.00 0.00 176.35 174.80 1ppx s VAL 87 N 1.55 4.28 -0.11 1.68 1.01 -1.12 -3.56 120.40 124.14 1ppx s VAL 87 Ca 0.04 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1ppx s VAL 87 Cb -0.26 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1ppx s VAL 87 CO 0.04 0.05 -0.11 1.21 0.00 0.00 0.00 175.10 176.29 1ppx n GLU 88 N 0.32 0.26 -3.68 2.72 2.13 -1.09 -3.65 120.64 117.65 1ppx n GLU 88 Ca 0.03 0.08 -0.07 0.00 0.66 0.00 0.00 57.16 57.85 1ppx n GLU 88 Cb 0.51 -1.12 -0.02 0.00 0.27 0.00 0.00 31.44 31.08 1ppx n GLU 88 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1ppx s ARG 89 N -2.21 1.36 0.03 5.31 1.70 0.17 -4.17 118.95 121.13 1ppx s ARG 89 Ca -0.15 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1ppx s ARG 89 Cb 0.04 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1ppx s ARG 89 CO 0.23 -0.61 -0.06 1.67 -1.08 0.00 0.00 175.30 175.45 1ppx s TRP 90 N -3.57 0.48 -0.67 5.89 -2.14 -1.25 0.18 118.94 117.86 1ppx s TRP 90 Ca 0.08 -0.46 -0.16 0.00 2.66 0.00 0.00 56.10 58.22 1ppx s TRP 90 Cb -0.03 -0.30 0.15 0.00 -3.10 0.00 0.00 33.47 30.19 1ppx s TRP 90 CO -0.01 -0.11 0.67 -2.00 -2.66 0.00 0.00 176.95 172.84 1ppx s GLU 91 N -1.36 3.23 0.00 3.25 2.12 -1.12 -4.83 118.70 119.99 1ppx s GLU 91 Ca -0.11 -1.85 0.00 0.00 0.36 0.00 0.00 54.97 53.37 1ppx s GLU 91 Cb -0.09 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 29.93 1ppx s GLU 91 CO -0.00 -1.40 0.00 0.41 -0.54 0.00 0.00 175.26 173.73 1ppx n GLY 92 N 4.89 0.58 3.48 -1.50 0.00 -1.26 -4.51 105.19 106.87 1ppx n GLY 92 Ca -0.02 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1ppx n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppx s GLU 93 N 0.00 3.71 0.02 1.61 2.12 -1.26 -5.08 118.70 119.81 1ppx s GLU 93 Ca 0.00 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1ppx s GLU 93 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 1ppx s GLU 93 CO 0.00 -0.07 1.13 -2.14 -0.54 0.00 0.00 175.26 173.64 1ppx s PRO 94 N 1.29 4.45 0.00 4.30 0.02 -1.26 -4.74 135.00 139.06 1ppx s PRO 94 Ca 0.05 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1ppx s PRO 94 Cb -0.15 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1ppx s PRO 94 CO 0.03 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.80 1ppx n TRP 95 N 4.17 0.00 0.00 6.54 4.27 -0.84 -4.99 117.44 126.60 1ppx n TRP 95 Ca 0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 1ppx n TRP 95 Cb 0.48 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 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 3.02 0.52 0.28 -1.67 0.00 0.77 -4.40 105.19 103.71 1ppx n GLY 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.07 1.61 3.00 -1.23 -4.23 118.16 117.37 1ppx n LYS 97 Ca 0.00 0.08 -0.17 0.00 -0.00 0.00 0.00 58.31 58.23 1ppx n LYS 97 Cb 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 35.03 34.61 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ppx h GLU 98 N 0.00 0.26 0.00 1.64 -0.00 -1.81 -3.45 114.58 111.22 1ppx h GLU 98 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 1ppx h GLU 98 Cb 0.19 0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1ppx h GLU 98 CO 0.00 1.14 0.00 0.41 -0.00 0.00 0.00 179.01 180.56 1ppx n GLY 99 N 1.64 -0.18 2.66 1.06 0.00 -1.26 -4.97 105.19 104.15 1ppx n GLY 99 Ca -0.15 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1ppx n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppx s GLN 100 N 0.00 -0.05 0.38 1.61 1.11 -1.26 -5.13 119.66 116.31 1ppx s GLN 100 Ca 0.00 0.29 -0.23 0.00 0.01 0.00 0.00 55.36 55.43 1ppx s GLN 100 Cb 0.00 -0.77 -0.14 0.00 -1.01 0.00 0.00 33.01 31.08 1ppx s GLN 100 CO 0.00 -0.40 0.43 -2.30 0.01 0.00 0.00 175.29 173.03 1ppx n PRO 101 N 5.30 0.36 -4.41 2.91 -0.02 -1.26 -4.50 135.00 133.38 1ppx n PRO 101 Ca -0.04 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 1ppx n PRO 101 Cb 0.50 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.95 2.39 0.18 -1.23 0.00 -1.26 -4.36 107.32 102.09 1ppx s GLY 102 Ca 0.62 -1.59 0.08 0.00 0.00 0.00 0.00 44.72 43.83 1ppx s GLY 102 CO 0.59 -1.67 -0.16 -0.54 0.00 0.00 0.00 173.10 171.31 1ppx s GLU 103 N -3.67 1.29 -0.34 2.90 8.01 -1.25 -4.96 118.70 120.67 1ppx s GLU 103 Ca 0.31 -1.48 -0.27 0.00 0.01 0.00 0.00 54.97 53.54 1ppx s GLU 103 Cb 0.03 -1.22 -0.05 0.00 -4.31 0.00 0.00 34.13 28.58 1ppx s GLU 103 CO 0.19 0.23 2.26 -1.58 0.01 0.00 0.00 175.26 176.36 1ppx s TRP 104 N -2.46 1.18 0.19 1.61 0.51 -1.26 -4.00 118.94 114.71 1ppx s TRP 104 Ca 0.18 0.96 0.11 0.00 -2.12 0.00 0.00 56.10 55.23 1ppx s TRP 104 Cb -0.04 -3.81 -0.04 0.00 -0.81 0.00 0.00 33.47 28.77 1ppx s TRP 104 CO 0.07 -3.36 -0.23 0.00 -0.51 0.00 0.00 176.95 172.92 1ppx s MET 105 N 7.09 1.48 -0.03 4.98 0.23 -0.84 -4.93 119.30 127.28 1ppx s MET 105 Ca 0.97 -1.50 -0.30 0.00 -1.03 0.00 0.00 55.69 53.83 1ppx s MET 105 Cb -0.25 -1.77 -0.05 0.00 -1.53 0.00 0.00 34.83 31.23 1ppx s MET 105 CO 0.31 0.38 1.34 -1.54 -2.03 0.00 0.00 175.02 173.48 1ppx s SER 106 N -2.65 6.91 0.39 -1.18 1.04 -1.26 0.11 113.70 117.06 1ppx s SER 106 Ca 0.20 1.99 0.24 0.00 0.48 0.00 0.00 55.95 58.86 1ppx s SER 106 Cb -0.08 -2.56 0.44 0.00 0.10 0.00 0.00 66.02 63.92 1ppx s SER 106 CO 0.09 -0.69 1.64 0.25 0.98 0.00 0.00 173.24 175.52 1ppx h LEU 107 N 8.46 0.00 -1.77 2.42 7.12 -1.81 -3.28 115.31 126.45 1ppx h LEU 107 Ca -0.36 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1ppx h LEU 107 Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1ppx h LEU 107 CO 0.90 0.00 0.27 1.62 -0.13 0.00 0.00 178.44 181.10 1ppx h VAL 108 N 0.00 0.00 -0.78 1.05 3.04 -1.90 -1.61 116.25 116.04 1ppx h VAL 108 Ca 0.00 0.00 -0.49 0.00 -1.01 0.00 0.00 66.70 65.20 1ppx h VAL 108 Cb 0.94 0.59 -0.42 0.00 -2.01 0.00 0.00 31.29 30.39 1ppx h VAL 108 CO 0.00 0.00 -0.88 0.61 -1.01 0.00 0.00 177.57 176.29 1ppx n GLY 109 N -1.23 5.32 3.75 3.17 0.00 -1.24 -4.97 105.19 109.99 1ppx n GLY 109 Ca -0.02 -2.33 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 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 -3.62 3.77 -0.08 0.99 0.20 -0.61 -5.02 118.68 114.31 1ppx s LEU 110 Ca 0.45 2.58 0.04 0.00 0.69 0.00 0.00 54.13 57.89 1ppx s LEU 110 Cb 0.39 -4.42 0.00 0.00 -0.43 0.00 0.00 46.19 41.73 1ppx s LEU 110 CO -0.00 -1.59 -0.20 0.20 -0.29 0.00 0.00 176.35 174.47 1ppx s ASN 111 N -1.26 2.60 0.27 3.68 0.02 -1.26 -4.89 114.94 114.10 1ppx s ASN 111 Ca 0.74 -0.45 0.25 0.00 -1.02 0.00 0.00 52.86 52.38 1ppx s ASN 111 Cb -0.36 -1.08 0.96 0.00 0.02 0.00 0.00 41.25 40.79 1ppx s ASN 111 CO 0.41 0.13 1.74 0.00 0.02 0.00 0.00 177.10 179.40 1ppx h ALA 112 N 6.66 1.00 0.01 0.60 0.00 -1.95 -2.91 119.26 122.67 1ppx h ALA 112 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ppx h ALA 112 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ppx h ALA 112 CO 0.47 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.85 1ppx h ASP 113 N 0.00 0.06 -0.41 0.00 1.82 -1.96 -3.35 116.42 112.59 1ppx h ASP 113 Ca 0.00 -0.92 -0.11 0.00 -0.39 0.00 0.00 57.03 55.61 1ppx h ASP 113 Cb 0.47 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1ppx h ASP 113 CO 0.00 0.98 -0.14 -2.24 -1.61 0.00 0.00 179.24 176.23 1ppx h ASP 114 N -0.84 0.88 -4.29 2.28 2.03 -1.82 -3.45 116.42 111.22 1ppx h ASP 114 Ca -0.02 -0.29 -0.46 0.00 -0.73 0.00 0.00 57.03 55.54 1ppx h ASP 114 Cb 1.00 -0.24 0.13 0.00 -0.83 0.00 0.00 39.33 39.40 1ppx h ASP 114 CO 0.02 1.02 0.39 0.72 -1.03 0.00 0.00 179.24 180.36 1ppx s PHE 115 N -4.76 2.24 0.02 4.15 -0.71 -1.10 0.69 117.98 118.50 1ppx s PHE 115 Ca -0.10 0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 1ppx s PHE 115 Cb 0.13 -3.74 -0.05 0.00 -1.21 0.00 0.00 43.02 38.16 1ppx s PHE 115 CO 0.84 -2.30 1.22 -1.25 -1.34 0.00 0.00 175.22 172.39 1ppx s PRO 116 N -5.66 4.39 0.32 1.99 0.04 -1.26 -4.69 135.00 130.13 1ppx s PRO 116 Ca 0.67 1.75 0.22 0.00 0.04 0.00 0.00 61.00 63.69 1ppx s PRO 116 Cb -0.08 -3.44 1.17 0.00 0.04 0.00 0.00 34.50 32.19 1ppx s PRO 116 CO 0.51 -0.35 1.67 -0.35 0.04 0.00 0.00 177.00 178.53 1ppx n PRO 117 N 4.47 0.15 0.00 0.56 -0.04 -1.26 -2.14 135.00 136.73 1ppx n PRO 117 Ca 0.10 0.62 0.05 0.00 -0.04 0.00 0.00 63.50 64.23 1ppx n PRO 117 Cb 0.46 -1.96 0.21 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.78 1.46 -2.29 0.55 0.00 -1.26 -2.62 120.51 114.56 1ppx n ALA 118 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ppx n ALA 118 Cb 0.05 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 2.99 0.01 0.00 5.03 -0.91 -4.85 115.26 116.04 1ppx n ASN 119 Ca 0.02 -3.01 -0.18 0.00 0.87 0.00 0.00 54.58 52.28 1ppx n ASN 119 Cb 0.11 -0.41 -0.11 0.00 -1.02 0.00 0.00 39.78 38.35 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1ppx h GLU 120 N 2.06 0.46 -0.98 3.52 5.08 -1.69 -3.13 114.58 119.90 1ppx h GLU 120 Ca 0.09 -0.50 0.30 0.00 -1.00 0.00 0.00 59.36 58.25 1ppx h GLU 120 Cb 1.42 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.66 1ppx h GLU 120 CO 0.40 1.15 0.51 -1.35 -1.00 0.00 0.00 179.01 178.72 1ppx h PRO 121 N -0.03 0.32 0.02 2.33 0.11 -1.88 1.65 132.00 134.51 1ppx h PRO 121 Ca -0.09 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ppx h PRO 121 Cb 1.40 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1ppx h PRO 121 CO 0.14 0.21 -0.01 0.28 -0.21 0.00 0.00 178.00 178.41 1ppx h VAL 122 N 0.33 1.48 -0.24 3.15 2.07 -1.97 -3.33 116.25 117.75 1ppx h VAL 122 Ca 0.69 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1ppx h VAL 122 Cb 1.53 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1ppx h VAL 122 CO -0.60 0.47 -0.17 0.40 0.02 0.00 0.00 177.57 177.68 1ppx h ILE 123 N -0.90 1.23 -0.43 4.57 1.08 -1.27 -2.52 117.51 119.28 1ppx h ILE 123 Ca -0.00 -1.04 0.12 0.00 -0.39 0.00 0.00 64.86 63.55 1ppx h ILE 123 Cb 0.78 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1ppx h ILE 123 CO 0.00 0.33 0.35 0.00 -0.69 0.00 0.00 178.15 178.14 1ppx h ALA 124 N 1.45 2.29 0.06 1.87 0.00 0.23 1.56 119.26 126.72 1ppx h ALA 124 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ppx h ALA 124 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ppx h ALA 124 CO 0.03 -0.57 -0.03 -0.22 0.00 0.00 0.00 179.25 178.47 1ppx h LYS 125 N 0.00 -0.08 0.11 0.00 1.63 -1.56 -3.23 116.57 113.45 1ppx h LYS 125 Ca 0.20 0.01 -0.28 0.00 -0.85 0.00 0.00 60.65 59.73 1ppx h LYS 125 Cb 0.90 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1ppx h LYS 125 CO -0.00 0.51 -1.20 1.25 -3.45 0.00 0.00 179.45 176.55 1ppx h LEU 126 N -0.89 0.61 -0.82 5.20 5.85 -1.45 -3.31 115.31 120.49 1ppx h LEU 126 Ca -0.01 -0.59 0.12 0.00 0.84 0.00 0.00 57.88 58.24 1ppx h LEU 126 Cb 0.62 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1ppx h LEU 126 CO 0.01 1.43 0.44 0.50 -0.34 0.00 0.00 178.44 180.48 1ppx h LYS 127 N 0.17 0.67 0.00 1.25 3.64 0.21 0.93 116.57 123.43 1ppx h LYS 127 Ca -0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ppx h LYS 127 Cb 1.89 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1ppx h LYS 127 CO 0.21 0.44 0.00 -2.13 -2.27 0.00 0.00 179.45 175.70 1ppx n ARG 128 N -4.82 0.08 -0.38 1.90 0.63 -1.22 -4.88 116.66 107.98 1ppx n ARG 128 Ca 0.15 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1ppx n ARG 128 Cb 0.35 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40