#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 3.53 0.01 2.12 2.47 -1.19 -5.08 119.74 121.60 1ppx s LYS 2 Ca 0.00 -0.52 0.06 0.00 -1.56 0.00 0.00 55.97 53.95 1ppx s LYS 2 Cb 0.00 -2.87 -0.02 0.00 -1.46 0.00 0.00 37.83 33.48 1ppx s LYS 2 CO 0.00 0.32 -0.17 -1.59 0.16 0.00 0.00 175.35 174.07 1ppx s LYS 3 N 0.14 1.31 -0.14 4.03 -2.85 -1.26 -0.96 119.74 120.01 1ppx s LYS 3 Ca -0.01 -0.70 -0.04 0.00 -1.00 0.00 0.00 55.97 54.22 1ppx s LYS 3 Cb -0.14 -1.31 0.07 0.00 -2.06 0.00 0.00 37.83 34.39 1ppx s LYS 3 CO 0.03 0.35 0.23 -0.48 0.10 0.00 0.00 175.35 175.57 1ppx s LEU 4 N -0.67 -0.20 0.10 2.77 0.05 0.28 -4.91 118.68 116.09 1ppx s LEU 4 Ca 0.06 0.33 0.02 0.00 0.05 0.00 0.00 54.13 54.59 1ppx s LEU 4 Cb -0.07 0.52 -0.04 0.00 -2.05 0.00 0.00 46.19 44.55 1ppx s LEU 4 CO 0.00 -0.26 0.18 -1.10 -0.55 0.00 0.00 176.35 174.62 1ppx s GLN 5 N 2.37 3.21 -0.06 1.48 -0.21 -1.26 -0.55 119.66 124.64 1ppx s GLN 5 Ca 0.03 -0.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 1ppx s GLN 5 Cb -0.13 -2.88 0.04 0.00 1.00 0.00 0.00 33.01 31.04 1ppx s GLN 5 CO -0.09 0.56 0.12 0.42 -2.12 0.00 0.00 175.29 174.19 1ppx s ILE 6 N -1.56 -0.08 -0.12 1.08 1.01 0.49 -3.43 121.20 118.58 1ppx s ILE 6 Ca 0.33 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.22 1ppx s ILE 6 Cb -0.12 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.15 1ppx s ILE 6 CO 0.26 0.09 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 1ppx s ALA 7 N 1.35 1.78 0.30 9.38 0.00 -1.00 0.55 121.76 134.12 1ppx s ALA 7 Ca -0.07 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.19 1ppx s ALA 7 Cb -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1ppx s ALA 7 CO -0.05 -0.11 -0.03 0.14 0.00 0.00 0.00 175.76 175.71 1ppx s VAL 8 N 1.03 2.93 -0.28 0.00 -7.23 0.26 -3.85 120.40 113.26 1ppx s VAL 8 Ca -0.05 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1ppx s VAL 8 Cb -0.15 -2.73 0.15 0.00 0.56 0.00 0.00 36.38 34.21 1ppx s VAL 8 CO -0.03 -0.30 0.37 -0.83 -0.31 0.00 0.00 175.10 174.00 1ppx s GLY 9 N -3.67 -0.41 -0.34 2.32 0.00 -1.14 0.52 107.32 104.59 1ppx s GLY 9 Ca 0.33 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 1ppx s GLY 9 CO 0.19 2.85 1.62 -0.26 0.00 0.00 0.00 173.10 177.50 1ppx s ILE 10 N 2.49 3.67 -0.23 0.90 -4.36 -1.08 -4.67 121.20 117.91 1ppx s ILE 10 Ca 0.10 0.70 -0.29 0.00 -0.26 0.00 0.00 60.65 60.89 1ppx s ILE 10 Cb -0.13 -3.87 -0.02 0.00 1.25 0.00 0.00 42.46 39.69 1ppx s ILE 10 CO -0.28 -0.53 1.51 0.27 0.24 0.00 0.00 174.94 176.15 1ppx s ILE 11 N 6.09 3.85 0.06 8.37 -0.00 -1.26 -2.19 121.20 136.11 1ppx s ILE 11 Ca 0.72 0.96 -0.28 0.00 -0.00 0.00 0.00 60.65 62.05 1ppx s ILE 11 Cb -0.19 -3.83 -0.05 0.00 -0.00 0.00 0.00 42.46 38.38 1ppx s ILE 11 CO 0.33 -0.32 0.88 -0.13 -0.00 0.00 0.00 174.94 175.69 1ppx s ARG 12 N 4.42 4.59 0.18 0.37 1.81 -1.16 -2.52 118.95 126.64 1ppx s ARG 12 Ca 0.66 1.27 -0.02 0.00 -1.72 0.00 0.00 55.73 55.92 1ppx s ARG 12 Cb -0.23 -3.39 0.04 0.00 -0.45 0.00 0.00 34.95 30.92 1ppx s ARG 12 CO 0.27 0.19 0.25 0.27 -0.68 0.00 0.00 175.30 175.60 1ppx n ASN 13 N 3.00 0.11 0.21 0.23 6.94 0.45 -2.90 115.26 123.30 1ppx n ASN 13 Ca 0.01 -1.14 0.12 0.00 -0.02 0.00 0.00 54.58 53.54 1ppx n ASN 13 Cb 0.50 -0.18 0.62 0.00 -2.36 0.00 0.00 39.78 38.35 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 0.00 -3.83 4.81 -1.88 -3.39 114.58 110.29 1ppx h GLU 14 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1ppx h GLU 14 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ppx h GLU 14 CO 0.07 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.64 1ppx n ASN 15 N -2.36 0.00 -0.37 1.04 5.15 -1.26 -5.04 115.26 112.42 1ppx n ASN 15 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1ppx n ASN 15 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1ppx n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1ppx n ASN 16 N -0.70 0.00 -4.95 1.20 4.13 -1.26 -5.12 115.26 108.56 1ppx n ASN 16 Ca 0.00 -1.21 -0.21 0.00 1.68 0.00 0.00 54.58 54.83 1ppx n ASN 16 Cb 0.00 -0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.17 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ppx s GLU 17 N 0.00 3.36 0.02 3.52 2.02 -1.26 -2.99 118.70 123.37 1ppx s GLU 17 Ca 0.00 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1ppx s GLU 17 Cb 0.00 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1ppx s GLU 17 CO 0.00 0.42 -0.08 -1.50 0.02 0.00 0.00 175.26 174.12 1ppx s ILE 18 N -2.01 0.58 -0.99 -1.63 -1.16 0.28 0.17 121.20 116.45 1ppx s ILE 18 Ca 0.34 -0.73 -0.21 0.00 -0.51 0.00 0.00 60.65 59.54 1ppx s ILE 18 Cb -0.09 -0.57 0.09 0.00 0.61 0.00 0.00 42.46 42.50 1ppx s ILE 18 CO 0.28 -0.13 1.31 0.12 -2.81 0.00 0.00 174.94 173.71 1ppx s PHE 19 N -0.81 2.82 0.30 3.50 5.36 -1.05 -1.30 117.98 126.80 1ppx s PHE 19 Ca -0.04 -1.13 0.09 0.00 -0.96 0.00 0.00 56.93 54.90 1ppx s PHE 19 Cb -0.07 -4.50 -0.04 0.00 -0.34 0.00 0.00 43.02 38.07 1ppx s PHE 19 CO 0.00 -1.72 0.03 0.96 -1.46 0.00 0.00 175.22 173.03 1ppx s ILE 20 N 3.86 3.18 0.00 3.12 -4.36 -1.25 -4.59 121.20 121.17 1ppx s ILE 20 Ca 0.40 -1.88 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1ppx s ILE 20 Cb -0.02 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1ppx s ILE 20 CO -0.09 -0.29 0.97 0.28 0.24 0.00 0.00 174.94 176.04 1ppx s THR 21 N -2.39 4.86 -0.11 8.37 -1.32 -0.70 -3.57 115.64 120.78 1ppx s THR 21 Ca 0.34 2.04 -0.05 0.00 -1.21 0.00 0.00 61.69 62.80 1ppx s THR 21 Cb -0.04 -4.31 0.05 0.00 -1.51 0.00 0.00 72.50 66.69 1ppx s THR 21 CO 0.20 0.17 0.24 0.00 -2.21 0.00 0.00 174.62 173.03 1ppx s ARG 22 N 0.94 0.19 -0.54 7.08 1.70 -1.26 -2.91 118.95 124.15 1ppx s ARG 22 Ca 0.51 0.56 0.00 0.00 -0.47 0.00 0.00 55.73 56.33 1ppx s ARG 22 Cb -0.21 -0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.06 1ppx s ARG 22 CO 0.28 -0.18 0.00 0.54 -1.08 0.00 0.00 175.30 174.85 1ppx n ARG 23 N 4.41 -2.40 -1.26 3.89 3.00 -1.26 -4.77 116.66 118.27 1ppx n ARG 23 Ca -0.22 0.31 -0.27 0.00 -0.01 0.00 0.00 57.85 57.65 1ppx n ARG 23 Cb 0.52 -4.79 0.15 0.00 0.00 0.00 0.00 32.46 28.34 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ppx n ALA 24 N -2.06 5.82 -2.72 7.54 0.00 -1.26 -4.40 120.51 123.43 1ppx n ALA 24 Ca -0.07 -3.06 -0.08 0.00 0.00 0.00 0.00 53.44 50.23 1ppx n ALA 24 Cb 0.50 -1.54 0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.08 0.63 -0.89 0.00 0.00 -1.26 -4.51 120.51 113.39 1ppx n ALA 25 Ca 0.61 -1.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.22 1ppx n ALA 25 Cb 1.39 -1.05 0.13 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.20 -0.24 -2.48 0.00 5.68 -1.26 -2.13 116.55 115.91 1ppx n ASP 26 Ca 0.02 0.46 -0.21 0.00 -0.50 0.00 0.00 54.79 54.56 1ppx n ASP 26 Cb 0.79 -1.39 -0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ppx n ALA 27 N -3.61 -0.67 0.12 2.12 0.00 -1.26 -4.65 120.51 112.56 1ppx n ALA 27 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1ppx n ALA 27 Cb 0.52 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 -4.07 -3.27 -3.15 0.00 8.25 -1.13 -5.12 115.22 106.73 1ppx n HIS 28 Ca -0.23 0.78 0.06 0.00 -0.26 0.00 0.00 57.72 58.07 1ppx n HIS 28 Cb 0.68 2.10 -0.02 0.00 1.12 0.00 0.00 29.99 33.87 1ppx n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ppx s MET 29 N -2.00 0.14 0.25 -0.41 0.23 -0.91 -5.03 119.30 111.57 1ppx s MET 29 Ca 0.00 0.24 0.23 0.00 -1.03 0.00 0.00 55.69 55.13 1ppx s MET 29 Cb 0.00 0.13 0.17 0.00 -1.53 0.00 0.00 34.83 33.60 1ppx s MET 29 CO 0.00 -0.17 1.25 0.00 -2.03 0.00 0.00 175.02 174.07 1ppx h ALA 30 N 7.91 0.65 -0.78 3.16 0.00 -1.93 -3.32 119.26 124.94 1ppx h ALA 30 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.37 1ppx h ALA 30 Cb 1.18 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1ppx h ALA 30 CO -0.13 0.00 0.53 0.27 0.00 0.00 0.00 179.25 179.92 1ppx n ASN 31 N -2.67 4.05 -1.43 0.00 6.94 -1.25 -4.29 115.26 116.61 1ppx n ASN 31 Ca 0.02 -3.28 -0.05 0.00 -0.02 0.00 0.00 54.58 51.25 1ppx n ASN 31 Cb 0.52 -0.80 0.23 0.00 -2.36 0.00 0.00 39.78 37.38 1ppx n ASN 31 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ppx n LYS 32 N -0.73 2.53 -1.26 -3.83 4.81 -0.88 -1.89 118.16 116.91 1ppx n LYS 32 Ca 0.47 -3.06 -0.20 0.00 -0.87 0.00 0.00 58.31 54.65 1ppx n LYS 32 Cb 1.31 -1.96 -0.11 0.00 0.02 0.00 0.00 35.03 34.30 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ppx n LEU 33 N -0.80 0.90 0.00 3.14 0.00 0.58 -4.60 117.00 116.23 1ppx n LEU 33 Ca 0.36 -2.11 -0.02 0.00 0.00 0.00 0.00 56.01 54.24 1ppx n LEU 33 Cb 1.17 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 43.29 1ppx n LEU 33 CO 0.30 -3.05 0.01 1.21 0.00 0.00 0.00 177.39 175.85 1ppx n GLU 34 N 7.67 1.38 -4.42 1.96 2.13 -1.15 -4.06 120.64 124.14 1ppx n GLU 34 Ca 0.38 -0.23 -0.27 0.00 0.66 0.00 0.00 57.16 57.70 1ppx n GLU 34 Cb 0.45 0.02 -0.12 0.00 0.27 0.00 0.00 31.44 32.07 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 -0.05 2.31 1.09 4.31 0.40 -1.26 -1.72 117.98 123.06 1ppx s PHE 35 Ca 0.02 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1ppx s PHE 35 Cb -0.00 -1.15 0.13 0.00 0.51 0.00 0.00 43.02 42.51 1ppx s PHE 35 CO 0.01 0.50 0.30 -0.35 0.70 0.00 0.00 175.22 176.38 1ppx n PRO 36 N 0.28 -1.49 0.00 0.24 -0.04 -1.26 -4.76 135.00 127.96 1ppx n PRO 36 Ca -0.13 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1ppx n PRO 36 Cb 0.56 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.69 0.83 2.92 0.55 0.00 -1.25 -2.88 105.19 107.05 1ppx n GLY 37 Ca 0.03 -0.77 -0.28 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 -1.73 0.98 0.00 -0.02 0.00 -1.25 -2.37 107.32 102.93 1ppx s GLY 38 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1ppx s GLY 38 CO 0.00 0.83 0.00 1.17 0.00 0.00 0.00 173.10 175.10 1ppx n LYS 39 N 4.86 0.00 0.05 2.90 4.81 -1.26 -4.99 118.16 124.53 1ppx n LYS 39 Ca -0.13 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.51 1ppx n LYS 39 Cb 0.48 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.27 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 0.53 0.00 3.15 3.07 -1.82 -3.18 117.51 119.26 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 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 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 -4.01 0.00 0.00 0.16 0.28 -1.22 -4.07 120.64 111.77 1ppx n GLU 41 Ca 0.08 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1ppx n GLU 41 Cb 0.60 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.54 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 -0.81 0.00 -0.89 3.44 2.81 -1.20 -2.25 117.12 118.22 1ppx n MET 42 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1ppx n MET 42 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 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 0.04 2.03 3.03 0.00 -1.26 -5.14 105.19 103.89 1ppx n GLY 43 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.08 0.18 -4.26 1.61 4.71 -0.95 -5.08 120.64 116.76 1ppx n GLU 44 Ca -0.13 -1.40 -0.23 0.00 -0.01 0.00 0.00 57.16 55.39 1ppx n GLU 44 Cb 0.49 -0.37 -0.07 0.00 -1.01 0.00 0.00 31.44 30.48 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 -1.57 3.59 0.61 2.62 2.01 -1.26 -4.78 115.64 116.87 1ppx s THR 45 Ca 0.35 -1.77 0.25 0.00 0.31 0.00 0.00 61.69 60.83 1ppx s THR 45 Cb -0.02 -2.90 0.35 0.00 0.01 0.00 0.00 72.50 69.94 1ppx s THR 45 CO 0.23 -0.32 1.46 1.55 -0.69 0.00 0.00 174.62 176.85 1ppx h PRO 46 N 2.00 0.00 0.00 4.92 0.13 -1.99 1.31 132.00 138.37 1ppx h PRO 46 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1ppx h PRO 46 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1ppx h PRO 46 CO 0.60 0.00 -0.69 -1.91 -0.23 0.00 0.00 178.00 175.76 1ppx n GLU 47 N -3.28 0.48 0.21 0.86 0.00 -1.26 -4.44 120.64 113.21 1ppx n GLU 47 Ca 0.16 0.52 0.12 0.00 0.00 0.00 0.00 57.16 57.96 1ppx n GLU 47 Cb 1.21 -1.69 0.16 0.00 0.00 0.00 0.00 31.44 31.12 1ppx n GLU 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1ppx h GLN 48 N -1.00 0.00 -0.20 5.31 3.07 -1.77 -3.17 115.11 117.34 1ppx h GLN 48 Ca -0.07 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.71 1ppx h GLN 48 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.21 1ppx h GLN 48 CO -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 178.83 178.85 1ppx h ALA 49 N 1.99 0.15 0.00 0.06 0.00 0.15 0.97 119.26 122.59 1ppx h ALA 49 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1ppx h ALA 49 Cb 1.01 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ppx h ALA 49 CO 0.00 -0.46 -0.33 -0.39 0.00 0.00 0.00 179.25 178.07 1ppx h VAL 50 N 0.03 1.53 -0.57 0.00 -1.51 -1.75 -2.68 116.25 111.29 1ppx h VAL 50 Ca 0.10 -2.00 -0.00 0.00 -1.23 0.00 0.00 66.70 63.57 1ppx h VAL 50 Cb 0.14 2.76 -0.03 0.00 -2.13 0.00 0.00 31.29 32.03 1ppx h VAL 50 CO -0.19 0.55 0.35 0.58 -1.23 0.00 0.00 177.57 177.64 1ppx h VAL 51 N -0.43 1.16 -0.03 7.19 2.07 -1.50 0.64 116.25 125.35 1ppx h VAL 51 Ca -0.04 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1ppx h VAL 51 Cb 1.09 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ppx h VAL 51 CO 0.07 0.16 -0.04 0.03 0.02 0.00 0.00 177.57 177.80 1ppx h ARG 52 N 0.79 0.08 0.00 1.57 2.47 0.93 -3.20 114.38 117.01 1ppx h ARG 52 Ca 0.21 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.79 1ppx h ARG 52 Cb -0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1ppx h ARG 52 CO -0.04 0.60 -0.45 1.49 0.56 0.00 0.00 179.97 182.13 1ppx h GLU 53 N -0.44 0.00 -0.70 0.04 4.57 -1.22 -3.12 114.58 113.71 1ppx h GLU 53 Ca 0.00 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1ppx h GLU 53 Cb 0.59 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 1ppx h GLU 53 CO 0.01 0.45 0.35 1.25 -1.18 0.00 0.00 179.01 179.89 1ppx h LEU 54 N 0.00 0.47 -1.38 1.64 5.85 0.29 0.95 115.31 123.13 1ppx h LEU 54 Ca -0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1ppx h LEU 54 Cb 0.91 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1ppx h LEU 54 CO 0.06 0.28 0.23 -0.61 -0.34 0.00 0.00 178.44 178.05 1ppx h GLN 55 N 0.61 0.65 0.04 1.25 4.15 -1.55 1.22 115.11 121.47 1ppx h GLN 55 Ca 0.34 -0.07 -0.22 0.00 0.77 0.00 0.00 58.65 59.46 1ppx h GLN 55 Cb 0.33 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1ppx h GLN 55 CO -0.25 0.50 -1.00 1.49 -1.93 0.00 0.00 178.83 177.64 1ppx h GLU 56 N 0.65 0.23 -0.38 1.69 4.81 -0.89 0.80 114.58 121.50 1ppx h GLU 56 Ca 0.16 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ppx h GLU 56 Cb 0.07 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ppx h GLU 56 CO -0.02 1.05 0.00 0.39 -0.73 0.00 0.00 179.01 179.70 1ppx n GLU 57 N -3.60 2.52 0.00 1.92 -0.58 0.30 0.44 120.64 121.64 1ppx n GLU 57 Ca -0.05 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.40 1ppx n GLU 57 Cb 0.88 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ppx n VAL 58 N 1.51 0.00 -0.90 2.62 0.31 0.41 -4.07 118.33 118.20 1ppx n VAL 58 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1ppx n VAL 58 Cb 0.61 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 1.91 0.00 3.60 2.92 0.00 0.28 0.20 105.19 114.10 1ppx n GLY 59 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ppx n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ppx s ILE 60 N -0.93 2.85 -0.89 -0.61 2.07 -1.26 -4.73 121.20 117.70 1ppx s ILE 60 Ca 0.00 -2.04 -0.14 0.00 -1.41 0.00 0.00 60.65 57.06 1ppx s ILE 60 Cb 0.00 -2.71 0.22 0.00 0.13 0.00 0.00 42.46 40.10 1ppx s ILE 60 CO 0.00 -0.29 0.86 0.42 -1.91 0.00 0.00 174.94 174.02 1ppx s THR 61 N -2.46 5.58 0.21 4.00 -4.23 -1.26 -4.91 115.64 112.57 1ppx s THR 61 Ca 0.33 -2.53 0.09 0.00 -1.18 0.00 0.00 61.69 58.40 1ppx s THR 61 Cb -0.03 -4.53 -0.04 0.00 1.34 0.00 0.00 72.50 69.24 1ppx s THR 61 CO 0.19 -1.11 -0.05 -2.16 -0.54 0.00 0.00 174.62 170.95 1ppx s PRO 62 N 0.22 2.21 -1.24 3.99 0.04 -1.26 -2.46 135.00 136.49 1ppx s PRO 62 Ca 0.22 -1.30 -0.19 0.00 0.04 0.00 0.00 61.00 59.76 1ppx s PRO 62 Cb -0.09 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 1ppx s PRO 62 CO -0.09 0.41 1.86 1.04 0.04 0.00 0.00 177.00 180.27 1ppx n GLN 63 N -0.35 2.51 -3.96 4.56 6.02 0.51 -4.84 117.38 121.83 1ppx n GLN 63 Ca -0.09 -2.84 -0.35 0.00 -0.01 0.00 0.00 57.00 53.71 1ppx n GLN 63 Cb 0.57 -3.52 -0.14 0.00 1.02 0.00 0.00 30.24 28.17 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 6.51 2.95 0.00 1.08 -3.43 -1.26 -2.35 115.29 118.80 1ppx s HIS 64 Ca 0.58 -0.91 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 1ppx s HIS 64 Cb 0.04 -2.09 0.00 0.00 -1.43 0.00 0.00 32.58 29.10 1ppx s HIS 64 CO 0.09 -0.52 0.00 0.34 -2.00 0.00 0.00 174.74 172.65 1ppx n PHE 65 N 4.71 0.00 -1.54 0.38 -0.00 -1.26 -5.00 117.46 114.75 1ppx n PHE 65 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.35 1ppx n PHE 65 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.94 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 -8.23 -4.16 -2.13 7.64 -1.25 -2.94 113.62 102.55 1ppx n SER 66 Ca 0.00 1.70 -0.33 0.00 1.01 0.00 0.00 58.87 61.25 1ppx n SER 66 Cb 0.00 -5.13 -0.16 0.00 -1.01 0.00 0.00 64.21 57.92 1ppx n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1ppx s LEU 67 N -6.33 2.28 -0.00 -3.43 0.05 -1.26 0.89 118.68 110.87 1ppx s LEU 67 Ca 0.00 -0.60 -0.20 0.00 0.05 0.00 0.00 54.13 53.38 1ppx s LEU 67 Cb 0.00 -1.53 -0.25 0.00 -2.05 0.00 0.00 46.19 42.36 1ppx s LEU 67 CO 0.00 -0.00 1.06 0.15 -0.55 0.00 0.00 176.35 177.01 1ppx h PHE 68 N 7.97 0.61 -1.86 3.48 3.04 -1.08 -3.42 116.94 125.70 1ppx h PHE 68 Ca -0.45 -0.36 0.21 0.00 3.98 0.00 0.00 57.97 61.35 1ppx h PHE 68 Cb 1.14 -0.06 -0.15 0.00 2.56 0.00 0.00 35.95 39.44 1ppx h PHE 68 CO 0.49 1.19 0.66 -2.00 -2.02 0.00 0.00 178.31 176.64 1ppx s GLU 69 N -3.05 0.61 -0.06 1.11 2.12 -0.02 -5.00 118.70 114.40 1ppx s GLU 69 Ca -0.13 -0.26 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1ppx s GLU 69 Cb 0.03 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.71 1ppx s GLU 69 CO 0.83 -0.27 0.14 -1.59 -0.54 0.00 0.00 175.26 173.83 1ppx s LYS 70 N -2.77 0.10 -0.19 4.30 0.00 -1.26 0.13 119.74 120.05 1ppx s LYS 70 Ca 0.09 0.33 -0.02 0.00 0.00 0.00 0.00 55.97 56.37 1ppx s LYS 70 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 37.83 37.70 1ppx s LYS 70 CO -0.05 -0.13 -0.09 -1.17 0.00 0.00 0.00 175.35 173.91 1ppx s LEU 71 N 0.94 2.73 -0.28 2.77 2.96 0.29 -4.95 118.68 123.12 1ppx s LEU 71 Ca -0.07 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1ppx s LEU 71 Cb -0.09 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.99 1ppx s LEU 71 CO -0.05 0.03 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.27 1ppx s GLU 72 N 1.18 2.34 0.01 1.98 2.12 -1.26 -0.51 118.70 124.57 1ppx s GLU 72 Ca 0.02 -1.31 0.01 0.00 0.36 0.00 0.00 54.97 54.05 1ppx s GLU 72 Cb -0.14 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1ppx s GLU 72 CO -0.03 -0.60 -0.03 -0.47 -0.54 0.00 0.00 175.26 173.58 1ppx s TYR 73 N 1.19 0.29 -0.14 5.30 5.04 -1.09 -5.05 117.35 122.90 1ppx s TYR 73 Ca -0.07 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1ppx s TYR 73 Cb -0.20 -0.19 0.01 0.00 0.35 0.00 0.00 41.96 41.94 1ppx s TYR 73 CO -0.03 -0.05 -0.20 -1.83 -1.34 0.00 0.00 175.55 172.10 1ppx s GLU 74 N -0.55 2.84 0.58 4.97 -1.05 -1.26 -1.33 118.70 122.90 1ppx s GLU 74 Ca -0.04 -0.79 -0.07 0.00 -0.15 0.00 0.00 54.97 53.92 1ppx s GLU 74 Cb -0.04 -2.33 -0.01 0.00 -0.44 0.00 0.00 34.13 31.31 1ppx s GLU 74 CO -0.00 -0.05 0.91 -0.06 0.95 0.00 0.00 175.26 177.01 1ppx s PHE 75 N 0.91 3.37 -0.67 4.83 0.08 0.34 -4.88 117.98 121.95 1ppx s PHE 75 Ca -0.06 0.79 -0.16 0.00 0.12 0.00 0.00 56.93 57.62 1ppx s PHE 75 Cb -0.15 -2.67 -0.15 0.00 -0.57 0.00 0.00 43.02 39.47 1ppx s PHE 75 CO -0.03 -0.73 1.76 -0.35 -0.10 0.00 0.00 175.22 175.77 1ppx n PRO 76 N -2.57 0.10 -0.47 0.24 -0.04 -1.26 0.48 135.00 131.48 1ppx n PRO 76 Ca 0.04 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1ppx n PRO 76 Cb 0.57 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 13.48 -1.42 -3.56 3.54 2.03 -1.26 -5.03 116.55 124.33 1ppx n ASP 77 Ca 0.29 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.31 1ppx n ASP 77 Cb 0.45 -0.24 -0.13 0.00 -0.72 0.00 0.00 41.12 40.48 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ppx s ARG 78 N -0.59 0.60 -0.54 -0.67 3.52 0.18 -3.17 118.95 118.27 1ppx s ARG 78 Ca 0.00 -1.20 -0.28 0.00 -0.13 0.00 0.00 55.73 54.12 1ppx s ARG 78 Cb 0.00 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.90 1ppx s ARG 78 CO 0.00 -1.13 1.27 -1.01 -0.81 0.00 0.00 175.30 173.62 1ppx s HIS 79 N 1.29 2.53 -0.33 5.12 3.76 -0.14 0.13 115.29 127.64 1ppx s HIS 79 Ca 0.15 0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 55.48 1ppx s HIS 79 Cb -0.21 -4.45 0.02 0.00 1.11 0.00 0.00 32.58 29.05 1ppx s HIS 79 CO -0.12 -1.68 0.15 -1.50 -0.85 0.00 0.00 174.74 170.73 1ppx s ILE 80 N 5.22 4.32 -0.18 0.60 2.07 -0.44 0.10 121.20 132.89 1ppx s ILE 80 Ca 0.48 -0.75 -0.06 0.00 -1.41 0.00 0.00 60.65 58.91 1ppx s ILE 80 Cb -0.09 -3.32 -0.03 0.00 0.13 0.00 0.00 42.46 39.15 1ppx s ILE 80 CO 0.27 -0.08 0.03 -0.89 -1.91 0.00 0.00 174.94 172.36 1ppx s THR 81 N 1.53 4.41 -0.19 4.00 2.01 0.29 -2.66 115.64 125.03 1ppx s THR 81 Ca 0.02 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1ppx s THR 81 Cb -0.18 -2.98 0.04 0.00 0.01 0.00 0.00 72.50 69.39 1ppx s THR 81 CO 0.05 0.46 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.60 1ppx s LEU 82 N 0.51 2.02 -0.21 4.42 1.43 0.34 0.18 118.68 127.37 1ppx s LEU 82 Ca 0.01 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1ppx s LEU 82 Cb -0.13 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1ppx s LEU 82 CO 0.02 -0.17 0.00 0.26 0.23 0.00 0.00 176.35 176.69 1ppx s TRP 83 N 1.49 3.03 -0.36 0.29 0.51 0.19 0.10 118.94 124.20 1ppx s TRP 83 Ca -0.01 -0.55 -0.11 0.00 -2.12 0.00 0.00 56.10 53.31 1ppx s TRP 83 Cb -0.16 -2.12 0.01 0.00 -0.81 0.00 0.00 33.47 30.40 1ppx s TRP 83 CO -0.08 -0.33 0.21 -0.06 -0.51 0.00 0.00 176.95 176.18 1ppx s PHE 84 N 1.21 3.22 0.14 -1.98 0.40 0.35 0.89 117.98 122.21 1ppx s PHE 84 Ca 0.03 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1ppx s PHE 84 Cb -0.15 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 40.89 1ppx s PHE 84 CO 0.01 -0.56 0.39 -1.58 0.70 0.00 0.00 175.22 174.17 1ppx s TRP 85 N 1.60 3.49 -0.44 0.36 0.52 0.18 -0.62 118.94 124.03 1ppx s TRP 85 Ca 0.03 0.60 -0.10 0.00 0.02 0.00 0.00 56.10 56.66 1ppx s TRP 85 Cb -0.18 -2.04 0.09 0.00 -1.15 0.00 0.00 33.47 30.19 1ppx s TRP 85 CO 0.07 0.44 0.30 -1.17 0.02 0.00 0.00 176.95 176.61 1ppx s LEU 86 N -2.55 5.38 0.30 2.99 2.96 0.26 -2.64 118.68 125.36 1ppx s LEU 86 Ca 0.40 -1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 52.45 1ppx s LEU 86 Cb -0.12 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.47 1ppx s LEU 86 CO 0.23 -0.60 0.84 -0.69 -1.32 0.00 0.00 176.35 174.82 1ppx s VAL 87 N 1.42 4.40 -0.20 1.68 1.01 -0.93 -3.94 120.40 123.84 1ppx s VAL 87 Ca 0.04 1.52 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1ppx s VAL 87 Cb -0.24 -3.88 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 1ppx s VAL 87 CO 0.01 0.09 -0.07 1.21 0.00 0.00 0.00 175.10 176.34 1ppx n GLU 88 N 0.42 0.84 -3.65 2.72 2.13 -0.99 -3.01 120.64 119.11 1ppx n GLU 88 Ca 0.01 0.06 -0.08 0.00 0.66 0.00 0.00 57.16 57.81 1ppx n GLU 88 Cb 0.51 -1.45 -0.02 0.00 0.27 0.00 0.00 31.44 30.76 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 -2.43 1.38 0.05 5.31 1.04 -1.05 -4.29 118.95 118.96 1ppx s ARG 89 Ca -0.20 -0.67 -0.00 0.00 -1.04 0.00 0.00 55.73 53.83 1ppx s ARG 89 Cb 0.06 0.53 -0.04 0.00 -2.04 0.00 0.00 34.95 33.47 1ppx s ARG 89 CO 0.61 -0.62 -0.04 1.67 -0.04 0.00 0.00 175.30 176.88 1ppx s TRP 90 N -3.63 0.56 -0.48 5.89 -2.14 -1.24 -0.36 118.94 117.55 1ppx s TRP 90 Ca 0.07 -0.93 -0.11 0.00 2.66 0.00 0.00 56.10 57.79 1ppx s TRP 90 Cb -0.03 -0.39 0.11 0.00 -3.10 0.00 0.00 33.47 30.07 1ppx s TRP 90 CO -0.02 -0.29 0.37 -2.00 -2.66 0.00 0.00 176.95 172.34 1ppx s GLU 91 N -3.41 2.65 0.81 3.25 -6.30 -1.03 -4.90 118.70 109.78 1ppx s GLU 91 Ca 0.04 -1.67 0.00 0.00 -2.50 0.00 0.00 54.97 50.84 1ppx s GLU 91 Cb 0.04 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 30.17 1ppx s GLU 91 CO -0.07 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.45 1ppx n GLY 92 N 5.01 1.03 2.81 -1.50 0.00 -1.26 -4.43 105.19 106.84 1ppx n GLY 92 Ca -0.10 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 0.66 0.04 1.61 2.12 -1.26 -5.13 118.70 116.74 1ppx s GLU 93 Ca 0.00 0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 1ppx s GLU 93 Cb 0.00 -0.93 -0.05 0.00 0.26 0.00 0.00 34.13 33.41 1ppx s GLU 93 CO 0.00 -0.24 1.21 -2.14 -0.54 0.00 0.00 175.26 173.55 1ppx s PRO 94 N 1.66 4.41 0.12 4.30 0.02 -1.26 -4.71 135.00 139.54 1ppx s PRO 94 Ca 0.00 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1ppx s PRO 94 Cb -0.13 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 30.99 1ppx s PRO 94 CO -0.04 -0.31 0.00 -2.67 -0.33 0.00 0.00 177.00 173.65 1ppx n TRP 95 N 4.25 -0.43 0.00 6.54 4.27 0.53 -4.97 117.44 127.63 1ppx n TRP 95 Ca 0.10 0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.78 1ppx n TRP 95 Cb 0.46 0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.51 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 3.15 3.49 0.00 -1.67 0.00 0.33 -4.30 105.19 106.20 1ppx n GLY 96 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 10.91 0.00 0.17 1.61 3.00 0.17 -4.72 118.16 129.30 1ppx n LYS 97 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.50 1ppx n LYS 97 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 35.03 35.81 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 0.00 0.00 1.64 4.11 -1.77 -3.45 114.58 115.11 1ppx h GLU 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ppx h GLU 98 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ppx h GLU 98 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1ppx n GLY 99 N -1.41 1.80 2.58 1.06 0.00 -1.26 -5.00 105.19 102.96 1ppx n GLY 99 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.63 0.12 0.34 1.61 1.11 -1.26 -4.99 119.66 115.97 1ppx s GLN 100 Ca 0.00 -0.28 -0.24 0.00 0.01 0.00 0.00 55.36 54.84 1ppx s GLN 100 Cb 0.00 -1.51 -0.15 0.00 -1.01 0.00 0.00 33.01 30.34 1ppx s GLN 100 CO 0.00 -0.83 0.48 -2.30 0.01 0.00 0.00 175.29 172.65 1ppx n PRO 101 N 5.27 0.38 -4.40 2.91 -0.02 -1.26 -4.44 135.00 133.43 1ppx n PRO 101 Ca -0.07 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 1ppx n PRO 101 Cb 0.46 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.93 2.38 0.05 -1.23 0.00 -1.26 -4.11 107.32 102.22 1ppx s GLY 102 Ca 0.62 -1.61 -0.05 0.00 0.00 0.00 0.00 44.72 43.68 1ppx s GLY 102 CO 0.59 -1.66 0.07 -0.54 0.00 0.00 0.00 173.10 171.56 1ppx s GLU 103 N -3.67 0.63 -0.32 2.90 8.01 -1.23 -4.92 118.70 120.10 1ppx s GLU 103 Ca 0.32 -0.92 -0.27 0.00 0.01 0.00 0.00 54.97 54.10 1ppx s GLU 103 Cb 0.03 0.24 -0.06 0.00 -4.31 0.00 0.00 34.13 30.04 1ppx s GLU 103 CO 0.19 -0.16 2.28 -1.58 0.01 0.00 0.00 175.26 176.00 1ppx s TRP 104 N -3.19 1.14 -0.02 1.61 0.51 -1.26 -3.91 118.94 113.81 1ppx s TRP 104 Ca 0.00 0.91 0.08 0.00 -2.12 0.00 0.00 56.10 54.96 1ppx s TRP 104 Cb 0.02 -3.81 -0.02 0.00 -0.81 0.00 0.00 33.47 28.86 1ppx s TRP 104 CO -0.07 -3.52 -0.25 0.00 -0.51 0.00 0.00 176.95 172.59 1ppx s MET 105 N 7.03 2.09 -0.10 4.98 0.23 -0.42 -4.82 119.30 128.28 1ppx s MET 105 Ca 0.99 -0.90 -0.29 0.00 -1.03 0.00 0.00 55.69 54.46 1ppx s MET 105 Cb -0.27 -2.00 -0.07 0.00 -1.53 0.00 0.00 34.83 30.96 1ppx s MET 105 CO 0.32 0.53 2.11 -1.13 -2.03 0.00 0.00 175.02 174.81 1ppx n SER 106 N 2.50 3.66 0.24 -1.18 3.41 -1.26 0.10 113.62 121.10 1ppx n SER 106 Ca -0.16 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 1ppx n SER 106 Cb 0.51 -1.53 0.61 0.00 -0.26 0.00 0.00 64.21 63.54 1ppx n SER 106 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ppx h LEU 107 N 12.91 0.00 -2.19 1.04 7.12 -1.85 -2.68 115.31 129.66 1ppx h LEU 107 Ca -0.45 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 1ppx h LEU 107 Cb 1.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1ppx h LEU 107 CO 0.95 0.17 0.10 1.62 -0.13 0.00 0.00 178.44 181.16 1ppx h VAL 108 N 0.00 0.00 -0.64 1.05 3.04 -1.88 -1.31 116.25 116.50 1ppx h VAL 108 Ca -0.00 0.00 -0.43 0.00 -1.01 0.00 0.00 66.70 65.26 1ppx h VAL 108 Cb 0.52 0.73 -0.27 0.00 -2.01 0.00 0.00 31.29 30.26 1ppx h VAL 108 CO 0.02 0.00 -0.15 0.61 -1.01 0.00 0.00 177.57 177.04 1ppx n GLY 109 N -1.18 5.68 3.75 3.17 0.00 -1.01 -4.96 105.19 110.63 1ppx n GLY 109 Ca -0.02 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 -3.51 4.36 -0.06 0.99 2.96 -0.50 -5.01 118.68 117.91 1ppx s LEU 110 Ca 0.51 2.83 0.04 0.00 -0.22 0.00 0.00 54.13 57.30 1ppx s LEU 110 Cb 0.43 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 43.49 1ppx s LEU 110 CO 0.01 -0.81 -0.20 0.20 -1.32 0.00 0.00 176.35 174.23 1ppx s ASN 111 N 0.37 2.59 0.28 3.68 -0.87 -1.26 -4.75 114.94 114.98 1ppx s ASN 111 Ca 0.60 -0.44 0.25 0.00 -1.57 0.00 0.00 52.86 51.71 1ppx s ASN 111 Cb -0.45 -0.88 0.97 0.00 -0.02 0.00 0.00 41.25 40.87 1ppx s ASN 111 CO 0.47 0.17 1.75 0.00 -2.57 0.00 0.00 177.10 176.92 1ppx h ALA 112 N 6.39 1.00 0.01 0.60 0.00 -1.93 -2.94 119.26 122.40 1ppx h ALA 112 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ppx h ALA 112 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 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 0.38 0.00 1.82 -1.95 -3.34 116.42 113.39 1ppx h ASP 113 Ca 0.00 -0.94 -0.09 0.00 -0.39 0.00 0.00 57.03 55.61 1ppx h ASP 113 Cb 0.47 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1ppx h ASP 113 CO 0.00 0.99 -0.42 -2.24 -1.61 0.00 0.00 179.24 175.96 1ppx h ASP 114 N -0.86 0.06 -2.91 2.28 2.03 -1.85 -3.44 116.42 111.73 1ppx h ASP 114 Ca -0.02 -0.02 -0.46 0.00 -0.73 0.00 0.00 57.03 55.80 1ppx h ASP 114 Cb 1.02 -0.02 0.09 0.00 -0.83 0.00 0.00 39.33 39.59 1ppx h ASP 114 CO 0.02 0.48 0.16 0.72 -1.03 0.00 0.00 179.24 179.59 1ppx s PHE 115 N -4.09 2.15 0.07 4.15 -0.71 -1.11 -0.31 117.98 118.13 1ppx s PHE 115 Ca -0.03 0.04 -0.31 0.00 -1.04 0.00 0.00 56.93 55.60 1ppx s PHE 115 Cb 0.14 -3.17 -0.07 0.00 -1.21 0.00 0.00 43.02 38.71 1ppx s PHE 115 CO 0.74 -1.63 1.40 -1.25 -1.34 0.00 0.00 175.22 173.15 1ppx s PRO 116 N -5.22 4.30 0.30 1.99 0.04 -0.79 -4.52 135.00 131.11 1ppx s PRO 116 Ca 0.64 2.04 0.22 0.00 0.04 0.00 0.00 61.00 63.95 1ppx s PRO 116 Cb -0.07 -3.39 1.11 0.00 0.04 0.00 0.00 34.50 32.19 1ppx s PRO 116 CO 0.45 -0.50 1.68 -0.35 0.04 0.00 0.00 177.00 178.32 1ppx n PRO 117 N 4.56 0.16 0.00 0.56 -0.04 -1.26 -2.34 135.00 136.64 1ppx n PRO 117 Ca 0.12 0.56 0.05 0.00 -0.04 0.00 0.00 63.50 64.19 1ppx n PRO 117 Cb 0.43 -1.93 0.23 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 1.50 -1.64 0.55 0.00 -1.26 -2.34 120.51 115.53 1ppx n ALA 118 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1ppx n ALA 118 Cb 0.11 -1.17 0.15 0.00 0.00 0.00 0.00 19.45 18.54 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 1.64 -0.03 0.00 5.03 -0.99 -4.84 115.26 114.58 1ppx n ASN 119 Ca 0.03 -3.33 -0.09 0.00 0.87 0.00 0.00 54.58 52.06 1ppx n ASN 119 Cb 0.12 -0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 38.40 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1ppx h GLU 120 N 0.72 0.11 -1.13 3.52 4.22 -1.63 -2.68 114.58 117.71 1ppx h GLU 120 Ca -0.03 -0.01 0.32 0.00 0.08 0.00 0.00 59.36 59.72 1ppx h GLU 120 Cb 1.16 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 1ppx h GLU 120 CO 0.02 0.07 0.73 -1.35 -2.18 0.00 0.00 179.01 176.30 1ppx h PRO 121 N 0.12 0.27 0.02 0.92 0.11 -1.88 1.18 132.00 132.73 1ppx h PRO 121 Ca 0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ppx h PRO 121 Cb 0.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1ppx h PRO 121 CO -0.10 0.18 -0.01 0.28 -0.21 0.00 0.00 178.00 178.13 1ppx h VAL 122 N 0.28 1.44 -0.03 3.15 2.07 -1.88 -3.33 116.25 117.96 1ppx h VAL 122 Ca 0.66 -1.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 1ppx h VAL 122 Cb 1.87 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 34.26 1ppx h VAL 122 CO -0.32 0.45 -0.39 -0.29 0.02 0.00 0.00 177.57 177.04 1ppx h ILE 123 N -0.90 1.29 -0.35 4.57 6.09 -1.03 -2.59 117.51 124.58 1ppx h ILE 123 Ca -0.00 -1.38 0.10 0.00 -1.37 0.00 0.00 64.86 62.21 1ppx h ILE 123 Cb 0.76 1.71 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 1ppx h ILE 123 CO 0.00 0.40 0.33 0.00 -3.07 0.00 0.00 178.15 175.81 1ppx h ALA 124 N 1.55 2.11 0.02 0.18 0.00 0.13 1.52 119.26 124.77 1ppx h ALA 124 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ppx h ALA 124 Cb 0.72 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ppx h ALA 124 CO 0.05 -0.51 -0.14 -0.22 0.00 0.00 0.00 179.25 178.44 1ppx h LYS 125 N 0.00 0.05 0.00 0.00 3.11 -1.57 -3.30 116.57 114.86 1ppx h LYS 125 Ca 0.17 -0.09 -0.18 0.00 -2.81 0.00 0.00 60.65 57.74 1ppx h LYS 125 Cb 0.82 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.06 1ppx h LYS 125 CO -0.00 1.04 -0.87 1.25 -2.81 0.00 0.00 179.45 178.06 1ppx h LEU 126 N -0.89 0.00 -0.81 5.20 7.12 -1.39 -3.28 115.31 121.27 1ppx h LEU 126 Ca -0.02 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.06 1ppx h LEU 126 Cb 1.10 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.17 1ppx h LEU 126 CO 0.03 0.87 0.47 0.50 -0.13 0.00 0.00 178.44 180.17 1ppx h LYS 127 N 0.00 0.80 0.00 1.25 3.64 0.20 0.60 116.57 123.06 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 1.57 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1ppx h LYS 127 CO 0.11 0.53 0.00 -2.13 -2.27 0.00 0.00 179.45 175.69 1ppx n ARG 128 N -4.71 0.40 -0.28 1.90 0.63 -1.24 -4.93 116.66 108.43 1ppx n ARG 128 Ca 0.12 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1ppx n ARG 128 Cb 0.23 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40