#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 2.99 0.03 0.03 2.47 -1.25 -5.05 119.74 118.96 1ppx s LYS 2 Ca 0.00 -1.48 0.06 0.00 -1.56 0.00 0.00 55.97 52.99 1ppx s LYS 2 Cb 0.00 -4.20 -0.03 0.00 -1.46 0.00 0.00 37.83 32.14 1ppx s LYS 2 CO 0.00 -1.16 -0.13 -1.59 0.16 0.00 0.00 175.35 172.63 1ppx s LYS 3 N 1.67 2.25 -0.11 4.03 -2.85 -1.26 -0.81 119.74 122.66 1ppx s LYS 3 Ca 0.04 -0.89 -0.05 0.00 -1.00 0.00 0.00 55.97 54.08 1ppx s LYS 3 Cb -0.26 -2.31 0.06 0.00 -2.06 0.00 0.00 37.83 33.25 1ppx s LYS 3 CO 0.05 0.56 0.24 -0.48 0.10 0.00 0.00 175.35 175.82 1ppx s LEU 4 N -1.49 -0.10 0.14 2.77 0.05 0.28 -4.90 118.68 115.42 1ppx s LEU 4 Ca 0.16 0.53 0.03 0.00 0.05 0.00 0.00 54.13 54.90 1ppx s LEU 4 Cb -0.11 0.62 -0.04 0.00 -2.05 0.00 0.00 46.19 44.62 1ppx s LEU 4 CO 0.07 -0.22 0.21 -1.10 -0.55 0.00 0.00 176.35 174.75 1ppx s GLN 5 N 2.15 3.21 -0.10 1.48 -0.21 -1.26 -0.57 119.66 124.36 1ppx s GLN 5 Ca -0.01 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1ppx s GLN 5 Cb -0.12 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.09 1ppx s GLN 5 CO -0.08 0.52 0.23 0.42 -2.12 0.00 0.00 175.29 174.26 1ppx s ILE 6 N -1.69 -0.04 -0.12 1.08 1.09 0.50 -3.59 121.20 118.43 1ppx s ILE 6 Ca 0.33 0.14 0.02 0.00 -1.10 0.00 0.00 60.65 60.03 1ppx s ILE 6 Cb -0.11 -0.36 0.02 0.00 -1.06 0.00 0.00 42.46 40.95 1ppx s ILE 6 CO 0.26 0.06 -0.16 0.00 -0.10 0.00 0.00 174.94 175.00 1ppx s ALA 7 N 1.15 1.80 0.30 9.38 0.00 -0.88 0.26 121.76 133.76 1ppx s ALA 7 Ca -0.08 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.16 1ppx s ALA 7 Cb -0.10 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1ppx s ALA 7 CO -0.07 -0.13 -0.00 0.14 0.00 0.00 0.00 175.76 175.69 1ppx s VAL 8 N 1.06 3.02 -0.23 0.00 -7.23 0.27 -3.88 120.40 113.42 1ppx s VAL 8 Ca -0.04 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1ppx s VAL 8 Cb -0.15 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 34.11 1ppx s VAL 8 CO -0.03 -0.30 0.17 -0.83 -0.31 0.00 0.00 175.10 173.80 1ppx s GLY 9 N -3.69 0.21 -0.61 2.32 0.00 -1.14 0.01 107.32 104.42 1ppx s GLY 9 Ca 0.33 -0.34 -0.27 0.00 0.00 0.00 0.00 44.72 44.44 1ppx s GLY 9 CO 0.19 2.07 1.83 -0.42 0.00 0.00 0.00 173.10 176.78 1ppx s ILE 10 N 2.22 3.38 0.02 0.90 1.09 -0.78 -4.67 121.20 123.36 1ppx s ILE 10 Ca 0.06 0.22 -0.30 0.00 -1.10 0.00 0.00 60.65 59.53 1ppx s ILE 10 Cb -0.16 -3.98 -0.06 0.00 -1.06 0.00 0.00 42.46 37.20 1ppx s ILE 10 CO -0.21 -0.95 1.36 -0.63 -0.10 0.00 0.00 174.94 174.42 1ppx s ILE 11 N 8.87 3.72 -0.04 2.92 1.01 -1.26 -2.01 121.20 134.40 1ppx s ILE 11 Ca 0.66 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 1ppx s ILE 11 Cb -0.13 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1ppx s ILE 11 CO 0.21 0.02 0.29 -0.13 0.00 0.00 0.00 174.94 175.33 1ppx s ARG 12 N 2.02 3.69 0.14 2.79 1.81 -1.23 -1.74 118.95 126.43 1ppx s ARG 12 Ca 0.63 0.14 0.01 0.00 -1.72 0.00 0.00 55.73 54.79 1ppx s ARG 12 Cb -0.32 -3.19 0.01 0.00 -0.45 0.00 0.00 34.95 31.01 1ppx s ARG 12 CO 0.27 0.72 0.12 -1.71 -0.68 0.00 0.00 175.30 174.02 1ppx n ASN 13 N 1.78 1.24 0.23 0.23 4.05 0.19 -2.82 115.26 120.17 1ppx n ASN 13 Ca -0.16 -1.45 0.16 0.00 0.45 0.00 0.00 54.58 53.58 1ppx n ASN 13 Cb 0.53 -0.03 0.66 0.00 1.23 0.00 0.00 39.78 42.18 1ppx n ASN 13 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1ppx h GLU 14 N 0.00 0.00 -0.78 1.20 4.57 -1.91 -3.00 114.58 114.67 1ppx h GLU 14 Ca -0.08 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.55 1ppx h GLU 14 Cb 0.31 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 28.54 1ppx h GLU 14 CO 0.13 0.00 -0.31 -1.71 -1.18 0.00 0.00 179.01 175.94 1ppx n ASN 15 N -2.81 5.44 -2.33 1.04 2.85 -1.26 -4.90 115.26 113.29 1ppx n ASN 15 Ca 0.01 -3.77 -0.08 0.00 -0.11 0.00 0.00 54.58 50.64 1ppx n ASN 15 Cb 0.26 -0.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.74 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 -0.80 -2.69 -4.72 1.20 6.94 -1.13 -4.90 115.26 109.15 1ppx n ASN 16 Ca 0.48 0.30 -0.32 0.00 -0.02 0.00 0.00 54.58 55.01 1ppx n ASN 16 Cb 0.89 -2.38 -0.08 0.00 -2.36 0.00 0.00 39.78 35.85 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ppx s GLU 17 N -4.77 2.87 -0.19 -3.83 -1.05 -1.26 -4.24 118.70 106.25 1ppx s GLU 17 Ca 0.00 -0.58 -0.06 0.00 -0.15 0.00 0.00 54.97 54.18 1ppx s GLU 17 Cb 0.00 -2.73 -0.03 0.00 -0.44 0.00 0.00 34.13 30.93 1ppx s GLU 17 CO 0.00 0.63 0.02 -1.50 0.95 0.00 0.00 175.26 175.36 1ppx s ILE 18 N -1.15 4.27 -1.07 1.83 1.10 0.27 0.55 121.20 127.00 1ppx s ILE 18 Ca 0.21 -0.21 -0.22 0.00 -0.51 0.00 0.00 60.65 59.92 1ppx s ILE 18 Cb -0.12 -2.92 0.03 0.00 0.15 0.00 0.00 42.46 39.60 1ppx s ILE 18 CO 0.12 0.44 1.60 0.12 -2.11 0.00 0.00 174.94 175.12 1ppx s PHE 19 N 0.70 2.45 0.30 3.50 2.19 -0.71 -2.69 117.98 123.72 1ppx s PHE 19 Ca 0.01 -0.74 0.09 0.00 0.33 0.00 0.00 56.93 56.63 1ppx s PHE 19 Cb -0.14 -4.59 -0.04 0.00 -1.31 0.00 0.00 43.02 36.94 1ppx s PHE 19 CO 0.02 -1.85 0.05 0.96 1.83 0.00 0.00 175.22 176.23 1ppx s ILE 20 N 5.82 3.22 -0.37 3.12 -4.36 -1.22 -4.55 121.20 122.86 1ppx s ILE 20 Ca 0.52 -1.84 -0.27 0.00 -0.26 0.00 0.00 60.65 58.80 1ppx s ILE 20 Cb -0.00 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.83 1ppx s ILE 20 CO -0.04 -0.29 0.99 0.42 0.24 0.00 0.00 174.94 176.26 1ppx s THR 21 N -2.38 4.51 -0.25 8.37 -4.23 -0.45 -3.00 115.64 118.21 1ppx s THR 21 Ca 0.34 1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 62.14 1ppx s THR 21 Cb -0.04 -4.39 0.08 0.00 1.34 0.00 0.00 72.50 69.49 1ppx s THR 21 CO 0.21 -0.59 0.11 0.00 -0.54 0.00 0.00 174.62 173.80 1ppx s ARG 22 N 3.66 0.24 -0.51 3.99 1.04 -1.26 -2.30 118.95 123.80 1ppx s ARG 22 Ca 0.41 -0.44 0.00 0.00 -1.04 0.00 0.00 55.73 54.66 1ppx s ARG 22 Cb -0.11 -1.52 0.00 0.00 -2.04 0.00 0.00 34.95 31.28 1ppx s ARG 22 CO 0.20 -0.88 0.00 0.54 -0.04 0.00 0.00 175.30 175.11 1ppx n ARG 23 N 5.20 -2.51 -1.30 3.89 1.74 -1.26 -4.78 116.66 117.64 1ppx n ARG 23 Ca -0.06 0.29 -0.23 0.00 -0.77 0.00 0.00 57.85 57.08 1ppx n ARG 23 Cb 0.44 -4.80 0.12 0.00 -1.02 0.00 0.00 32.46 27.20 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 -2.20 5.46 0.00 7.54 0.00 -1.26 -4.78 120.51 125.27 1ppx n ALA 24 Ca -0.07 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1ppx n ALA 24 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.99 0.00 -1.75 0.00 0.00 -1.26 -3.23 120.51 113.28 1ppx n ALA 25 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 1ppx n ALA 25 Cb 1.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.54 1ppx n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ppx s ASP 26 N -1.04 5.22 -0.13 0.00 1.01 -1.26 -4.96 116.67 115.51 1ppx s ASP 26 Ca 0.00 2.64 0.04 0.00 0.71 0.00 0.00 52.55 55.94 1ppx s ASP 26 Cb 0.00 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 1ppx s ASP 26 CO 0.00 -1.59 -0.08 0.00 0.21 0.00 0.00 175.17 173.72 1ppx n ALA 27 N -1.21 1.71 -0.10 5.23 0.00 -1.26 -4.41 120.51 120.47 1ppx n ALA 27 Ca 0.12 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.70 1ppx n ALA 27 Cb 0.46 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 1ppx n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ppx n HIS 28 N -2.75 0.48 -1.37 0.00 -0.00 -1.26 -4.41 115.22 105.90 1ppx n HIS 28 Ca -0.22 0.15 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 1ppx n HIS 28 Cb 0.79 -1.06 0.04 0.00 -0.00 0.00 0.00 29.99 29.76 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1ppx n MET 29 N -3.86 2.45 0.00 1.57 2.81 -1.26 -4.55 117.12 114.27 1ppx n MET 29 Ca -0.43 -2.78 0.09 0.00 -1.81 0.00 0.00 57.70 52.77 1ppx n MET 29 Cb 0.91 -2.10 0.43 0.00 -0.71 0.00 0.00 33.22 31.74 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx n ALA 30 N -0.26 1.91 0.00 3.04 0.00 -1.26 -3.01 120.51 120.93 1ppx n ALA 30 Ca 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1ppx n ALA 30 Cb 0.53 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.82 1ppx n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ppx n ASN 31 N -1.43 3.34 -0.89 0.00 5.15 -1.26 -3.96 115.26 116.21 1ppx n ASN 31 Ca 0.06 -2.61 0.02 0.00 -0.60 0.00 0.00 54.58 51.45 1ppx n ASN 31 Cb 0.20 -0.63 0.21 0.00 -0.53 0.00 0.00 39.78 39.03 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ppx n LYS 32 N 0.02 1.99 -1.47 1.20 5.02 -0.70 -3.94 118.16 120.28 1ppx n LYS 32 Ca 0.21 -3.04 -0.29 0.00 -2.02 0.00 0.00 58.31 53.17 1ppx n LYS 32 Cb 0.88 -1.76 -0.20 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.02 -0.78 0.00 -0.35 0.00 0.35 -4.26 117.00 110.94 1ppx n LEU 33 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ppx n LEU 33 Cb 0.91 -0.67 0.00 0.00 0.00 0.00 0.00 43.42 43.66 1ppx n LEU 33 CO 0.13 -1.14 0.00 1.21 0.00 0.00 0.00 177.39 177.59 1ppx n GLU 34 N 6.51 2.15 -4.45 1.96 2.13 -0.97 -3.82 120.64 124.16 1ppx n GLU 34 Ca 0.66 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.23 1ppx n GLU 34 Cb 0.10 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.70 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 -0.81 2.31 1.13 4.31 0.40 -1.26 -1.35 117.98 122.71 1ppx s PHE 35 Ca 0.00 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.86 1ppx s PHE 35 Cb 0.00 -1.04 0.23 0.00 0.51 0.00 0.00 43.02 42.72 1ppx s PHE 35 CO 0.00 0.65 0.82 -0.35 0.70 0.00 0.00 175.22 177.03 1ppx n PRO 36 N -0.35 -2.04 0.00 0.24 -0.04 -1.26 -4.77 135.00 126.78 1ppx n PRO 36 Ca -0.07 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1ppx n PRO 36 Cb 0.59 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.15 0.82 3.01 0.55 0.00 -1.25 -2.86 105.19 106.60 1ppx n GLY 37 Ca 0.04 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.68 1.08 0.00 -0.02 0.00 -1.25 -2.07 107.32 103.38 1ppx s GLY 38 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1ppx s GLY 38 CO 0.00 0.52 0.00 1.17 0.00 0.00 0.00 173.10 174.79 1ppx n LYS 39 N 4.72 0.00 0.26 2.90 4.81 -1.26 -4.99 118.16 124.59 1ppx n LYS 39 Ca -0.17 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.42 1ppx n LYS 39 Cb 0.50 0.00 0.85 0.00 0.02 0.00 0.00 35.03 36.40 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 0.57 0.00 3.15 3.07 -1.82 -3.27 117.51 119.21 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 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.49 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 -3.93 0.00 0.00 0.16 0.28 -1.24 -4.11 120.64 111.81 1ppx n GLU 41 Ca -0.01 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 1ppx n GLU 41 Cb 0.18 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.16 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 -0.72 0.00 -0.93 3.44 2.81 -1.23 -2.46 117.12 118.02 1ppx n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1ppx n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 -0.06 2.25 3.03 0.00 -1.26 -5.14 105.19 104.01 1ppx n GLY 43 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.11 0.01 -4.07 1.61 1.02 -1.03 -5.07 120.64 112.99 1ppx n GLU 44 Ca -0.10 -1.50 -0.22 0.00 -0.02 0.00 0.00 57.16 55.32 1ppx n GLU 44 Cb 0.47 -0.47 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ppx s THR 45 N -1.89 4.70 0.61 2.62 2.01 -1.26 -4.75 115.64 117.69 1ppx s THR 45 Ca 0.39 -1.25 0.26 0.00 0.31 0.00 0.00 61.69 61.41 1ppx s THR 45 Cb -0.02 -3.54 0.35 0.00 0.01 0.00 0.00 72.50 69.30 1ppx s THR 45 CO 0.27 -0.32 1.65 1.55 -0.69 0.00 0.00 174.62 177.07 1ppx h PRO 46 N 1.47 0.00 0.01 4.92 0.13 -1.99 1.41 132.00 137.94 1ppx h PRO 46 Ca -0.49 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.23 1ppx h PRO 46 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1ppx h PRO 46 CO 0.61 0.00 -2.30 0.39 -0.23 0.00 0.00 178.00 176.47 1ppx n GLU 47 N -3.37 0.61 0.13 0.86 1.02 -1.26 -4.47 120.64 114.16 1ppx n GLU 47 Ca 0.11 0.29 0.01 0.00 -0.02 0.00 0.00 57.16 57.55 1ppx n GLU 47 Cb 0.92 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.74 0.00 -0.41 3.49 1.08 -1.75 -2.97 115.11 113.80 1ppx h GLN 48 Ca -0.61 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.65 1ppx h GLN 48 Cb 1.65 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.03 1ppx h GLN 48 CO -0.30 0.55 0.12 0.00 -0.95 0.00 0.00 178.83 178.25 1ppx h ALA 49 N 1.44 0.47 0.06 3.87 0.00 0.16 0.95 119.26 126.22 1ppx h ALA 49 Ca -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1ppx h ALA 49 Cb 1.43 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ppx h ALA 49 CO 0.07 -0.28 -0.52 -0.39 0.00 0.00 0.00 179.25 178.13 1ppx h VAL 50 N 0.26 1.54 -0.49 0.00 -1.51 -1.75 -2.33 116.25 111.98 1ppx h VAL 50 Ca 0.20 -2.28 -0.03 0.00 -1.23 0.00 0.00 66.70 63.36 1ppx h VAL 50 Cb 0.21 3.00 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 1ppx h VAL 50 CO -0.23 0.64 0.17 0.58 -1.23 0.00 0.00 177.57 177.50 1ppx h VAL 51 N -0.43 1.19 0.13 7.19 2.07 -1.37 0.71 116.25 125.74 1ppx h VAL 51 Ca -0.08 -0.62 -0.26 0.00 0.82 0.00 0.00 66.70 66.56 1ppx h VAL 51 Cb 1.34 0.63 0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1ppx h VAL 51 CO 0.10 0.24 -1.09 -0.09 0.02 0.00 0.00 177.57 176.75 1ppx h ARG 52 N 0.70 0.51 0.00 1.57 1.12 0.85 -3.31 114.38 115.82 1ppx h ARG 52 Ca 0.17 -0.72 -0.12 0.00 -1.11 0.00 0.00 59.98 58.20 1ppx h ARG 52 Cb 0.18 0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 1ppx h ARG 52 CO -0.01 1.32 -0.56 1.49 -3.11 0.00 0.00 179.97 179.09 1ppx h GLU 53 N 0.06 0.00 -0.56 0.20 4.22 -1.25 -3.28 114.58 113.97 1ppx h GLU 53 Ca -0.17 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.31 1ppx h GLU 53 Cb 1.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.01 1ppx h GLU 53 CO 0.21 0.56 0.30 -0.07 -2.18 0.00 0.00 179.01 177.84 1ppx h LEU 54 N 0.00 0.46 -2.27 1.64 4.07 0.35 0.19 115.31 119.76 1ppx h LEU 54 Ca -0.01 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1ppx h LEU 54 Cb 1.34 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1ppx h LEU 54 CO 0.07 0.31 0.07 -0.61 -1.08 0.00 0.00 178.44 177.20 1ppx h GLN 55 N 0.59 0.00 0.00 1.13 5.75 -1.65 0.41 115.11 121.34 1ppx h GLN 55 Ca 0.24 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.62 1ppx h GLN 55 Cb 0.11 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1ppx h GLN 55 CO -0.14 0.00 -0.58 1.49 -2.65 0.00 0.00 178.83 176.95 1ppx h GLU 56 N 0.00 0.00 -0.23 1.69 4.22 -0.78 0.53 114.58 120.01 1ppx h GLU 56 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1ppx h GLU 56 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ppx h GLU 56 CO -0.00 0.58 0.00 0.39 -2.18 0.00 0.00 179.01 177.80 1ppx n GLU 57 N -3.38 1.92 0.00 1.92 4.71 0.48 0.14 120.64 126.44 1ppx n GLU 57 Ca 0.01 -1.78 0.00 0.00 -0.01 0.00 0.00 57.16 55.38 1ppx n GLU 57 Cb 0.70 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ppx n VAL 58 N 0.78 0.00 -0.52 2.62 0.31 0.11 -3.99 118.33 117.65 1ppx n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ppx n VAL 58 Cb 0.41 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 59 N 1.97 0.00 1.35 2.92 0.00 0.19 0.65 105.19 112.27 1ppx n GLY 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.97 0.00 -3.77 -0.61 -5.35 -1.26 -4.83 119.36 101.57 1ppx n ILE 60 Ca 0.00 -0.73 -0.34 0.00 -0.27 0.00 0.00 62.75 61.41 1ppx n ILE 60 Cb 0.02 -0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 37.27 1ppx n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1ppx s THR 61 N -0.65 3.48 0.15 7.28 -4.23 -1.26 -4.95 115.64 115.46 1ppx s THR 61 Ca 0.16 -3.29 0.07 0.00 -1.18 0.00 0.00 61.69 57.45 1ppx s THR 61 Cb -0.01 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 1ppx s THR 61 CO 0.10 -0.90 -0.05 -2.16 -0.54 0.00 0.00 174.62 171.07 1ppx s PRO 62 N -0.42 2.26 -1.22 3.99 0.04 -1.26 -3.24 135.00 135.14 1ppx s PRO 62 Ca 0.19 -1.10 -0.20 0.00 0.04 0.00 0.00 61.00 59.93 1ppx s PRO 62 Cb -0.19 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1ppx s PRO 62 CO -0.05 0.47 1.87 1.04 0.04 0.00 0.00 177.00 180.37 1ppx n GLN 63 N 0.19 2.35 -3.90 4.56 6.02 -0.07 -4.84 117.38 121.68 1ppx n GLN 63 Ca -0.11 -2.78 -0.35 0.00 -0.01 0.00 0.00 57.00 53.75 1ppx n GLN 63 Cb 0.54 -3.55 -0.14 0.00 1.02 0.00 0.00 30.24 28.11 1ppx n GLN 63 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1ppx s HIS 64 N 7.26 2.97 0.00 1.08 -3.43 -1.26 -1.75 115.29 120.16 1ppx s HIS 64 Ca 0.60 -0.86 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 1ppx s HIS 64 Cb 0.03 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 29.07 1ppx s HIS 64 CO 0.10 -0.51 0.00 0.34 -2.00 0.00 0.00 174.74 172.66 1ppx n PHE 65 N 4.78 0.00 -1.34 0.38 7.35 -1.26 -5.00 117.46 122.37 1ppx n PHE 65 Ca -0.18 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.67 1ppx n PHE 65 Cb 0.51 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.26 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ppx n SER 66 N 0.00 -6.98 -3.98 -2.13 7.64 -1.25 -2.40 113.62 104.52 1ppx n SER 66 Ca 0.00 1.22 -0.30 0.00 1.01 0.00 0.00 58.87 60.81 1ppx n SER 66 Cb 0.00 -4.54 -0.16 0.00 -1.01 0.00 0.00 64.21 58.50 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 -6.95 1.91 -0.08 -3.43 0.20 -1.26 -0.59 118.68 108.48 1ppx s LEU 67 Ca 0.00 -0.68 -0.14 0.00 0.69 0.00 0.00 54.13 54.00 1ppx s LEU 67 Cb 0.00 -1.15 -0.11 0.00 -0.43 0.00 0.00 46.19 44.51 1ppx s LEU 67 CO 0.00 -0.12 0.50 0.15 -0.29 0.00 0.00 176.35 176.59 1ppx h PHE 68 N 8.03 -0.14 -1.40 5.38 3.57 -1.55 -3.42 116.94 127.41 1ppx h PHE 68 Ca -0.31 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.32 1ppx h PHE 68 Cb 1.11 0.05 -0.29 0.00 2.79 0.00 0.00 35.95 39.61 1ppx h PHE 68 CO 0.48 0.20 0.51 -1.21 -2.23 0.00 0.00 178.31 176.06 1ppx s GLU 69 N -2.52 0.29 -0.10 1.11 2.02 -0.94 -5.01 118.70 113.56 1ppx s GLU 69 Ca -0.08 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1ppx s GLU 69 Cb -0.00 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 1ppx s GLU 69 CO 0.30 -0.06 -0.19 -1.59 0.02 0.00 0.00 175.26 173.74 1ppx s LYS 70 N 1.07 3.02 -0.07 1.61 -2.85 -1.26 -2.02 119.74 119.23 1ppx s LYS 70 Ca -0.07 -0.80 0.04 0.00 -1.00 0.00 0.00 55.97 54.15 1ppx s LYS 70 Cb -0.03 -2.40 -0.01 0.00 -2.06 0.00 0.00 37.83 33.33 1ppx s LYS 70 CO -0.13 0.27 -0.21 -1.17 0.10 0.00 0.00 175.35 174.22 1ppx s LEU 71 N 0.14 2.32 -0.26 2.77 2.96 -0.20 -4.95 118.68 121.46 1ppx s LEU 71 Ca -0.10 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1ppx s LEU 71 Cb -0.16 -1.46 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1ppx s LEU 71 CO 0.06 0.24 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.53 1ppx s GLU 72 N -0.12 2.19 0.13 1.98 2.12 -1.26 -1.70 118.70 122.03 1ppx s GLU 72 Ca -0.04 -1.33 0.08 0.00 0.36 0.00 0.00 54.97 54.04 1ppx s GLU 72 Cb -0.14 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1ppx s GLU 72 CO 0.04 -0.58 -0.18 -0.47 -0.54 0.00 0.00 175.26 173.53 1ppx s TYR 73 N 1.12 1.69 -0.07 5.30 5.04 -1.03 -5.03 117.35 124.37 1ppx s TYR 73 Ca -0.09 -0.47 0.05 0.00 -2.44 0.00 0.00 57.07 54.13 1ppx s TYR 73 Cb -0.20 -0.88 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 1ppx s TYR 73 CO -0.05 0.24 -0.23 -1.83 -1.34 0.00 0.00 175.55 172.33 1ppx s GLU 74 N -2.41 2.54 0.36 4.97 -1.05 -1.26 -1.23 118.70 120.61 1ppx s GLU 74 Ca 0.10 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 54.11 1ppx s GLU 74 Cb -0.07 -2.09 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 1ppx s GLU 74 CO 0.05 0.31 0.53 -0.06 0.95 0.00 0.00 175.26 177.04 1ppx s PHE 75 N 0.01 3.29 -0.45 4.83 0.40 0.30 -4.90 117.98 121.46 1ppx s PHE 75 Ca -0.08 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 1ppx s PHE 75 Cb -0.14 -2.00 -0.10 0.00 0.51 0.00 0.00 43.02 41.28 1ppx s PHE 75 CO 0.05 -0.01 1.48 -0.35 0.70 0.00 0.00 175.22 177.08 1ppx n PRO 76 N -1.77 0.05 -0.68 0.24 -0.04 -1.26 0.85 135.00 132.39 1ppx n PRO 76 Ca -0.02 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1ppx n PRO 76 Cb 0.57 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1ppx n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ppx n ASP 77 N 10.45 -2.03 -3.56 3.54 -0.08 -1.26 -5.02 116.55 118.59 1ppx n ASP 77 Ca 0.18 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.17 1ppx n ASP 77 Cb 0.47 -0.34 -0.14 0.00 2.34 0.00 0.00 41.12 43.46 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1ppx s ARG 78 N -0.60 0.55 -0.43 -0.67 3.52 0.25 -3.84 118.95 117.72 1ppx s ARG 78 Ca 0.00 -1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 54.20 1ppx s ARG 78 Cb 0.00 -1.49 0.01 0.00 -1.56 0.00 0.00 34.95 31.91 1ppx s ARG 78 CO 0.00 -1.11 1.43 -1.58 -0.81 0.00 0.00 175.30 173.24 1ppx s HIS 79 N 1.40 2.35 -0.34 5.12 5.65 0.01 0.11 115.29 129.60 1ppx s HIS 79 Ca 0.14 0.65 -0.08 0.00 0.25 0.00 0.00 55.06 56.01 1ppx s HIS 79 Cb -0.20 -4.32 0.02 0.00 -1.18 0.00 0.00 32.58 26.91 1ppx s HIS 79 CO -0.16 -2.02 0.14 -1.50 -0.65 0.00 0.00 174.74 170.55 1ppx s ILE 80 N 5.62 4.18 -0.21 0.89 2.07 -0.36 0.10 121.20 133.49 1ppx s ILE 80 Ca 0.61 -0.85 -0.07 0.00 -1.41 0.00 0.00 60.65 58.93 1ppx s ILE 80 Cb -0.13 -3.27 -0.03 0.00 0.13 0.00 0.00 42.46 39.15 1ppx s ILE 80 CO 0.32 -0.10 0.05 -0.89 -1.91 0.00 0.00 174.94 172.41 1ppx s THR 81 N 1.50 4.45 -0.18 4.00 2.01 0.27 -2.47 115.64 125.21 1ppx s THR 81 Ca 0.01 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1ppx s THR 81 Cb -0.18 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.34 1ppx s THR 81 CO 0.04 0.41 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.83 1ppx s LEU 82 N 0.90 1.98 -0.22 4.42 0.05 -0.69 0.19 118.68 125.32 1ppx s LEU 82 Ca 0.03 -0.79 -0.05 0.00 0.05 0.00 0.00 54.13 53.37 1ppx s LEU 82 Cb -0.14 -1.09 -0.02 0.00 -2.05 0.00 0.00 46.19 42.89 1ppx s LEU 82 CO 0.02 -0.16 0.01 0.26 -0.55 0.00 0.00 176.35 175.93 1ppx s TRP 83 N 1.50 3.04 -0.26 3.48 0.51 0.14 -1.03 118.94 126.31 1ppx s TRP 83 Ca -0.00 -0.53 -0.10 0.00 -2.12 0.00 0.00 56.10 53.35 1ppx s TRP 83 Cb -0.16 -2.12 -0.04 0.00 -0.81 0.00 0.00 33.47 30.33 1ppx s TRP 83 CO -0.08 -0.32 0.15 -0.06 -0.51 0.00 0.00 176.95 176.13 1ppx s PHE 84 N 1.23 3.20 0.05 -1.98 0.08 -0.86 0.97 117.98 120.67 1ppx s PHE 84 Ca 0.03 -0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1ppx s PHE 84 Cb -0.15 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1ppx s PHE 84 CO 0.01 -0.17 0.17 -1.58 -0.10 0.00 0.00 175.22 173.55 1ppx s TRP 85 N 1.59 3.43 -0.49 0.36 0.52 0.10 -1.66 118.94 122.78 1ppx s TRP 85 Ca 0.07 0.22 -0.15 0.00 0.02 0.00 0.00 56.10 56.25 1ppx s TRP 85 Cb -0.15 -1.73 0.09 0.00 -1.15 0.00 0.00 33.47 30.53 1ppx s TRP 85 CO 0.08 0.58 0.43 -1.17 0.02 0.00 0.00 176.95 176.88 1ppx s LEU 86 N -2.36 5.80 0.23 2.99 2.96 0.25 -1.87 118.68 126.68 1ppx s LEU 86 Ca 0.32 -1.49 -0.18 0.00 -0.22 0.00 0.00 54.13 52.56 1ppx s LEU 86 Cb -0.13 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 1ppx s LEU 86 CO 0.24 -0.72 0.70 -0.69 -1.32 0.00 0.00 176.35 174.57 1ppx s VAL 87 N 1.62 4.62 -0.18 1.68 1.01 -0.85 -3.77 120.40 124.53 1ppx s VAL 87 Ca 0.04 1.18 0.11 0.00 0.00 0.00 0.00 61.98 63.31 1ppx s VAL 87 Cb -0.26 -3.81 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 1ppx s VAL 87 CO 0.05 0.16 -0.01 1.21 0.00 0.00 0.00 175.10 176.51 1ppx n GLU 88 N 0.59 1.01 -3.65 2.72 4.07 -0.72 -3.52 120.64 121.14 1ppx n GLU 88 Ca -0.02 0.03 -0.08 0.00 -0.06 0.00 0.00 57.16 57.03 1ppx n GLU 88 Cb 0.51 -1.44 -0.02 0.00 -0.06 0.00 0.00 31.44 30.43 1ppx n GLU 88 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1ppx s ARG 89 N -2.42 1.38 -0.18 5.31 1.70 -1.07 -4.37 118.95 119.31 1ppx s ARG 89 Ca -0.14 -0.67 -0.09 0.00 -0.47 0.00 0.00 55.73 54.35 1ppx s ARG 89 Cb 0.06 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 35.04 1ppx s ARG 89 CO 0.65 -0.62 0.43 1.67 -1.08 0.00 0.00 175.30 176.34 1ppx s TRP 90 N -3.64 -0.65 0.15 5.89 -2.14 -1.13 -0.89 118.94 116.53 1ppx s TRP 90 Ca 0.07 1.36 -0.30 0.00 2.66 0.00 0.00 56.10 59.89 1ppx s TRP 90 Cb -0.03 0.29 -0.07 0.00 -3.10 0.00 0.00 33.47 30.56 1ppx s TRP 90 CO -0.02 -0.37 1.06 -2.00 -2.66 0.00 0.00 176.95 172.95 1ppx s GLU 91 N 1.57 4.62 7.48 3.25 2.12 -1.20 -4.78 118.70 131.77 1ppx s GLU 91 Ca -0.09 1.63 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1ppx s GLU 91 Cb -0.09 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1ppx s GLU 91 CO -0.13 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1ppx n GLY 92 N 2.17 2.69 3.06 -1.50 0.00 -1.26 -4.52 105.19 105.82 1ppx n GLY 92 Ca 0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 0.73 0.01 1.61 2.12 -1.26 -5.13 118.70 116.78 1ppx s GLU 93 Ca 0.00 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1ppx s GLU 93 Cb 0.00 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 1ppx s GLU 93 CO 0.00 0.18 1.13 -2.14 -0.54 0.00 0.00 175.26 173.89 1ppx s PRO 94 N -0.68 4.45 0.13 4.30 0.02 -1.26 -4.73 135.00 137.23 1ppx s PRO 94 Ca 0.01 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1ppx s PRO 94 Cb -0.06 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1ppx s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1ppx n TRP 95 N 4.22 -0.62 0.00 6.54 4.27 0.21 -4.95 117.44 127.10 1ppx n TRP 95 Ca 0.09 0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.81 1ppx n TRP 95 Cb 0.48 0.16 0.00 0.00 -1.36 0.00 0.00 31.31 30.58 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 2.96 1.05 0.00 -1.67 0.00 0.05 -4.03 105.19 103.55 1ppx n GLY 96 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.31 1.61 0.00 0.38 -4.74 118.16 115.10 1ppx n LYS 97 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1ppx n LYS 97 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 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 0.85 0.00 1.64 4.11 -1.73 -3.47 114.58 115.98 1ppx h GLU 98 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ppx h GLU 98 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ppx h GLU 98 CO 0.00 0.56 0.00 0.41 0.07 0.00 0.00 179.01 180.05 1ppx n GLY 99 N -1.33 2.74 2.86 1.06 0.00 -1.26 -4.99 105.19 104.27 1ppx n GLY 99 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 1.10 0.42 1.61 -0.21 -1.26 -4.99 119.66 115.87 1ppx s GLN 100 Ca 0.00 -1.50 -0.22 0.00 0.02 0.00 0.00 55.36 53.66 1ppx s GLN 100 Cb 0.00 -2.55 -0.14 0.00 1.00 0.00 0.00 33.01 31.32 1ppx s GLN 100 CO 0.00 -0.98 0.34 -2.30 -2.12 0.00 0.00 175.29 170.23 1ppx n PRO 101 N 4.48 0.31 -4.43 2.91 -0.02 -1.20 -4.53 135.00 132.51 1ppx n PRO 101 Ca 0.01 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 1ppx n PRO 101 Cb 0.41 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.99 2.44 0.05 -1.23 0.00 -1.26 -4.22 107.32 102.11 1ppx s GLY 102 Ca 0.62 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 1ppx s GLY 102 CO 0.60 -1.71 0.07 1.85 0.00 0.00 0.00 173.10 173.91 1ppx s GLU 103 N -3.68 0.64 -0.50 2.90 2.12 -1.16 -4.92 118.70 114.10 1ppx s GLU 103 Ca 0.30 -0.92 -0.28 0.00 0.36 0.00 0.00 54.97 54.43 1ppx s GLU 103 Cb 0.03 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1ppx s GLU 103 CO 0.18 -0.16 1.52 -1.58 -0.54 0.00 0.00 175.26 174.68 1ppx s TRP 104 N -3.19 2.17 0.31 5.30 0.51 -1.26 -3.40 118.94 119.38 1ppx s TRP 104 Ca 0.00 0.58 0.10 0.00 -2.12 0.00 0.00 56.10 54.66 1ppx s TRP 104 Cb 0.02 -4.30 -0.06 0.00 -0.81 0.00 0.00 33.47 28.32 1ppx s TRP 104 CO -0.07 -2.15 -0.13 0.00 -0.51 0.00 0.00 176.95 174.09 1ppx s MET 105 N 5.56 1.74 -0.35 4.98 0.23 -1.10 -4.86 119.30 125.51 1ppx s MET 105 Ca 0.60 -1.86 -0.23 0.00 -1.03 0.00 0.00 55.69 53.16 1ppx s MET 105 Cb -0.13 -1.69 0.01 0.00 -1.53 0.00 0.00 34.83 31.49 1ppx s MET 105 CO 0.28 0.21 0.80 0.45 -2.03 0.00 0.00 175.02 174.72 1ppx s SER 106 N -3.56 6.58 0.56 -1.18 0.15 -1.26 0.94 113.70 115.93 1ppx s SER 106 Ca 0.31 0.43 0.37 0.00 0.70 0.00 0.00 55.95 57.76 1ppx s SER 106 Cb -0.00 -2.40 1.81 0.00 -1.71 0.00 0.00 66.02 63.72 1ppx s SER 106 CO 0.15 -0.72 2.11 0.25 1.20 0.00 0.00 173.24 176.23 1ppx h LEU 107 N 9.72 0.00 -2.16 3.45 7.12 -1.91 -2.70 115.31 128.82 1ppx h LEU 107 Ca -0.24 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.77 1ppx h LEU 107 Cb 1.09 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1ppx h LEU 107 CO 0.91 0.00 0.28 1.62 -0.13 0.00 0.00 178.44 181.13 1ppx h VAL 108 N 0.00 0.03 -0.80 1.05 3.04 -1.91 -1.98 116.25 115.68 1ppx h VAL 108 Ca 0.00 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.24 1ppx h VAL 108 Cb 0.20 0.72 -0.42 0.00 -2.01 0.00 0.00 31.29 29.79 1ppx h VAL 108 CO 0.00 0.00 -0.93 0.61 -1.01 0.00 0.00 177.57 176.24 1ppx n GLY 109 N -1.22 4.53 3.74 3.17 0.00 -1.02 -4.97 105.19 109.43 1ppx n GLY 109 Ca -0.02 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 3.60 -0.08 0.99 0.20 -0.75 -5.02 118.68 114.02 1ppx s LEU 110 Ca 0.41 2.49 0.04 0.00 0.69 0.00 0.00 54.13 57.76 1ppx s LEU 110 Cb 0.39 -4.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.54 1ppx s LEU 110 CO -0.02 -1.81 -0.20 0.20 -0.29 0.00 0.00 176.35 174.22 1ppx s ASN 111 N -1.54 2.65 0.26 3.68 -0.87 -1.26 -4.97 114.94 112.89 1ppx s ASN 111 Ca 0.79 -0.47 0.24 0.00 -1.57 0.00 0.00 52.86 51.86 1ppx s ASN 111 Cb -0.33 -1.11 0.95 0.00 -0.02 0.00 0.00 41.25 40.74 1ppx s ASN 111 CO 0.37 0.14 1.73 0.00 -2.57 0.00 0.00 177.10 176.77 1ppx n ALA 112 N 3.49 1.81 -0.05 0.60 0.00 -1.26 -2.69 120.51 122.41 1ppx n ALA 112 Ca -0.20 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1ppx n ALA 112 Cb 0.53 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1ppx n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ppx h ASP 113 N 0.00 0.07 -0.45 0.00 3.58 -1.94 -3.35 116.42 114.33 1ppx h ASP 113 Ca 0.00 -0.91 -0.11 0.00 0.42 0.00 0.00 57.03 56.43 1ppx h ASP 113 Cb 0.46 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1ppx h ASP 113 CO 0.00 0.97 -0.14 -2.24 -2.88 0.00 0.00 179.24 174.96 1ppx h ASP 114 N -0.83 0.93 -4.22 2.28 2.03 -1.82 -3.45 116.42 111.35 1ppx h ASP 114 Ca -0.02 -0.31 -0.45 0.00 -0.73 0.00 0.00 57.03 55.52 1ppx h ASP 114 Cb 1.00 -0.25 0.14 0.00 -0.83 0.00 0.00 39.33 39.39 1ppx h ASP 114 CO 0.02 1.06 0.39 0.72 -1.03 0.00 0.00 179.24 180.40 1ppx s PHE 115 N -4.78 2.09 0.00 4.15 -0.71 -1.09 0.13 117.98 117.76 1ppx s PHE 115 Ca -0.11 0.53 -0.30 0.00 -1.04 0.00 0.00 56.93 56.02 1ppx s PHE 115 Cb 0.13 -3.79 -0.04 0.00 -1.21 0.00 0.00 43.02 38.11 1ppx s PHE 115 CO 0.85 -2.40 1.18 -1.25 -1.34 0.00 0.00 175.22 172.26 1ppx s PRO 116 N -5.69 4.40 0.32 1.99 0.04 -1.25 -4.52 135.00 130.30 1ppx s PRO 116 Ca 0.69 1.70 0.23 0.00 0.04 0.00 0.00 61.00 63.65 1ppx s PRO 116 Cb -0.08 -3.46 1.19 0.00 0.04 0.00 0.00 34.50 32.19 1ppx s PRO 116 CO 0.52 -0.33 1.70 -0.35 0.04 0.00 0.00 177.00 178.58 1ppx n PRO 117 N 4.52 0.16 0.00 0.56 -0.04 -1.26 -1.96 135.00 136.98 1ppx n PRO 117 Ca 0.10 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.24 1ppx n PRO 117 Cb 0.47 -1.97 0.33 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.79 1.71 -1.65 0.55 0.00 -1.26 -2.75 120.51 115.32 1ppx n ALA 118 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 118 Cb 0.07 -1.25 0.18 0.00 0.00 0.00 0.00 19.45 18.45 1ppx n ALA 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ppx n ASN 119 N -1.49 1.67 -0.09 0.00 5.15 -0.83 -4.78 115.26 114.90 1ppx n ASN 119 Ca 0.04 -3.56 -0.14 0.00 -0.60 0.00 0.00 54.58 50.32 1ppx n ASN 119 Cb 0.18 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1ppx h GLU 120 N 0.87 0.89 -0.86 1.20 5.08 -1.68 -2.02 114.58 118.06 1ppx h GLU 120 Ca -0.03 -0.52 0.13 0.00 -1.00 0.00 0.00 59.36 57.94 1ppx h GLU 120 Cb 1.11 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 1ppx h GLU 120 CO 0.01 1.16 0.47 -1.35 -1.00 0.00 0.00 179.01 178.31 1ppx h PRO 121 N 0.70 0.70 0.02 2.33 0.11 -1.86 1.63 132.00 135.63 1ppx h PRO 121 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ppx h PRO 121 Cb 1.08 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ppx h PRO 121 CO 0.11 0.46 -0.01 0.28 -0.21 0.00 0.00 178.00 178.64 1ppx h VAL 122 N 0.72 1.47 0.00 3.15 2.07 -1.93 -3.31 116.25 118.42 1ppx h VAL 122 Ca 0.44 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1ppx h VAL 122 Cb 0.54 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1ppx h VAL 122 CO -0.31 0.46 -0.21 0.40 0.02 0.00 0.00 177.57 177.92 1ppx h ILE 123 N -0.90 1.15 -0.70 4.57 1.08 -1.13 -2.30 117.51 119.28 1ppx h ILE 123 Ca -0.00 -0.73 0.12 0.00 -0.39 0.00 0.00 64.86 63.85 1ppx h ILE 123 Cb 0.77 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.87 1ppx h ILE 123 CO 0.00 0.21 0.46 0.00 -0.69 0.00 0.00 178.15 178.14 1ppx h ALA 124 N 1.79 2.03 -0.02 1.87 0.00 0.23 1.55 119.26 126.70 1ppx h ALA 124 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ppx h ALA 124 Cb 0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ppx h ALA 124 CO 0.03 -0.20 0.00 0.87 0.00 0.00 0.00 179.25 179.95 1ppx h LYS 125 N 0.45 0.04 0.00 0.00 1.57 -1.52 -2.93 116.57 114.19 1ppx h LYS 125 Ca 0.33 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 1ppx h LYS 125 Cb 0.67 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1ppx h LYS 125 CO -0.10 0.34 -0.79 1.25 -0.57 0.00 0.00 179.45 179.58 1ppx h LEU 126 N -0.26 0.00 -0.78 2.94 5.85 -1.38 -3.28 115.31 118.40 1ppx h LEU 126 Ca 0.01 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1ppx h LEU 126 Cb 0.32 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1ppx h LEU 126 CO 0.00 0.79 0.47 0.50 -0.34 0.00 0.00 178.44 179.85 1ppx h LYS 127 N 0.00 0.83 0.00 1.25 3.64 0.22 0.41 116.57 122.92 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 1.51 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1ppx h LYS 127 CO 0.10 0.55 0.00 -2.13 -2.27 0.00 0.00 179.45 175.70 1ppx n ARG 128 N -4.68 0.31 -0.38 1.90 0.00 -1.11 -4.91 116.66 107.78 1ppx n ARG 128 Ca 0.11 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1ppx n ARG 128 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91