#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 2.93 0.07 0.03 2.47 -1.26 -4.99 119.74 119.00 1ppx s LYS 2 Ca 0.00 -0.95 -0.30 0.00 -1.56 0.00 0.00 55.97 53.15 1ppx s LYS 2 Cb 0.00 -3.30 -0.10 0.00 -1.46 0.00 0.00 37.83 32.97 1ppx s LYS 2 CO 0.00 -0.48 1.93 -1.59 0.16 0.00 0.00 175.35 175.37 1ppx s LYS 3 N 1.44 4.14 -0.27 4.03 0.00 -1.26 -4.48 119.74 123.33 1ppx s LYS 3 Ca 0.01 2.63 -0.11 0.00 0.00 0.00 0.00 55.97 58.50 1ppx s LYS 3 Cb -0.18 -3.96 -0.05 0.00 0.00 0.00 0.00 37.83 33.65 1ppx s LYS 3 CO 0.01 -0.92 0.18 -0.48 0.00 0.00 0.00 175.35 174.14 1ppx s LEU 4 N 3.85 4.01 0.09 2.77 0.05 0.29 -4.90 118.68 124.84 1ppx s LEU 4 Ca 0.86 0.00 0.02 0.00 0.05 0.00 0.00 54.13 55.07 1ppx s LEU 4 Cb -0.44 -2.11 -0.04 0.00 -2.05 0.00 0.00 46.19 41.55 1ppx s LEU 4 CO 0.40 -0.03 0.17 -1.10 -0.55 0.00 0.00 176.35 175.24 1ppx s GLN 5 N 1.61 3.18 -0.00 1.48 -0.21 -1.26 -1.39 119.66 123.06 1ppx s GLN 5 Ca 0.07 -0.60 -0.00 0.00 0.02 0.00 0.00 55.36 54.85 1ppx s GLN 5 Cb -0.15 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1ppx s GLN 5 CO 0.09 0.57 0.01 0.42 -2.12 0.00 0.00 175.29 174.25 1ppx s ILE 6 N -1.53 -0.01 -0.01 1.08 1.09 0.45 -3.63 121.20 118.64 1ppx s ILE 6 Ca 0.32 0.02 0.06 0.00 -1.10 0.00 0.00 60.65 59.96 1ppx s ILE 6 Cb -0.12 -0.02 -0.02 0.00 -1.06 0.00 0.00 42.46 41.24 1ppx s ILE 6 CO 0.25 0.01 -0.20 0.00 -0.10 0.00 0.00 174.94 174.90 1ppx s ALA 7 N 0.11 1.66 0.00 9.38 0.00 -1.22 -1.15 121.76 130.54 1ppx s ALA 7 Ca -0.01 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1ppx s ALA 7 Cb -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1ppx s ALA 7 CO -0.00 0.40 0.13 0.14 0.00 0.00 0.00 175.76 176.43 1ppx s VAL 8 N -0.52 0.08 -0.18 0.00 -7.23 0.35 -3.71 120.40 109.19 1ppx s VAL 8 Ca 0.08 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.47 1ppx s VAL 8 Cb -0.08 -0.42 0.07 0.00 0.56 0.00 0.00 36.38 36.51 1ppx s VAL 8 CO -0.00 -0.38 0.41 -0.83 -0.31 0.00 0.00 175.10 173.99 1ppx s GLY 9 N -1.37 -0.33 -0.48 2.32 0.00 -1.23 0.15 107.32 106.38 1ppx s GLY 9 Ca -0.15 1.50 -0.26 0.00 0.00 0.00 0.00 44.72 45.82 1ppx s GLY 9 CO 0.01 2.00 0.99 -0.26 0.00 0.00 0.00 173.10 175.84 1ppx s ILE 10 N 1.94 4.38 -0.09 0.90 -4.36 -1.15 -4.49 121.20 118.34 1ppx s ILE 10 Ca -0.06 0.82 -0.30 0.00 -0.26 0.00 0.00 60.65 60.86 1ppx s ILE 10 Cb -0.10 -4.50 -0.04 0.00 1.25 0.00 0.00 42.46 39.07 1ppx s ILE 10 CO -0.13 -0.93 1.44 -0.63 0.24 0.00 0.00 174.94 174.94 1ppx s ILE 11 N 3.99 3.90 -0.24 8.37 1.01 -1.26 -2.91 121.20 134.06 1ppx s ILE 11 Ca 0.39 1.13 -0.24 0.00 0.00 0.00 0.00 60.65 61.94 1ppx s ILE 11 Cb -0.09 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1ppx s ILE 11 CO 0.27 -0.08 0.79 -0.13 0.00 0.00 0.00 174.94 175.79 1ppx s ARG 12 N 3.49 4.17 0.21 2.79 1.81 -1.23 -2.14 118.95 128.05 1ppx s ARG 12 Ca 0.64 0.86 -0.04 0.00 -1.72 0.00 0.00 55.73 55.47 1ppx s ARG 12 Cb -0.28 -3.64 0.05 0.00 -0.45 0.00 0.00 34.95 30.63 1ppx s ARG 12 CO 0.23 -0.49 0.23 0.27 -0.68 0.00 0.00 175.30 174.85 1ppx n ASN 13 N 5.93 -0.64 -0.93 0.23 6.94 0.52 -2.83 115.26 124.49 1ppx n ASN 13 Ca 0.04 -0.84 0.03 0.00 -0.02 0.00 0.00 54.58 53.79 1ppx n ASN 13 Cb 0.48 -0.19 0.14 0.00 -2.36 0.00 0.00 39.78 37.84 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1ppx n GLU 14 N -1.86 2.27 -1.19 -3.83 4.07 -1.26 -3.78 120.64 115.07 1ppx n GLU 14 Ca 0.03 -1.07 0.01 0.00 -0.06 0.00 0.00 57.16 56.08 1ppx n GLU 14 Cb 0.11 -1.71 -0.00 0.00 -0.06 0.00 0.00 31.44 29.78 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 0.22 0.43 0.00 4.31 5.15 -1.26 -4.97 115.26 119.13 1ppx n ASN 15 Ca 0.09 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.13 1ppx n ASN 15 Cb 0.54 -0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 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 0.30 -1.70 -4.95 1.20 4.13 -1.25 -4.98 115.26 108.01 1ppx n ASN 16 Ca -0.01 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.04 1ppx n ASN 16 Cb 0.96 -1.46 -0.02 0.00 -1.54 0.00 0.00 39.78 37.72 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 -0.65 3.37 0.01 3.52 0.41 -1.26 -4.61 118.70 119.48 1ppx s GLU 17 Ca 0.00 -0.79 0.06 0.00 -0.41 0.00 0.00 54.97 53.83 1ppx s GLU 17 Cb 0.00 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 1ppx s GLU 17 CO 0.00 0.43 -0.19 0.42 -0.49 0.00 0.00 175.26 175.42 1ppx s ILE 18 N -1.99 1.54 -0.38 -1.63 1.01 0.31 0.20 121.20 120.25 1ppx s ILE 18 Ca 0.34 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 1ppx s ILE 18 Cb -0.09 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1ppx s ILE 18 CO 0.28 0.34 0.67 0.72 0.00 0.00 0.00 174.94 176.95 1ppx s PHE 19 N -0.58 3.12 0.30 3.97 -0.12 -0.91 -1.48 117.98 122.27 1ppx s PHE 19 Ca 0.07 0.29 0.10 0.00 -0.05 0.00 0.00 56.93 57.35 1ppx s PHE 19 Cb -0.08 -3.25 -0.06 0.00 -0.63 0.00 0.00 43.02 39.01 1ppx s PHE 19 CO 0.00 -0.71 -0.15 0.96 -0.05 0.00 0.00 175.22 175.27 1ppx s ILE 20 N 2.82 2.27 -0.41 -4.49 -5.25 -1.22 -4.38 121.20 110.54 1ppx s ILE 20 Ca 0.25 -2.30 -0.22 0.00 -0.99 0.00 0.00 60.65 57.39 1ppx s ILE 20 Cb -0.14 -2.41 0.02 0.00 2.95 0.00 0.00 42.46 42.88 1ppx s ILE 20 CO 0.16 -0.34 0.74 0.28 -1.79 0.00 0.00 174.94 174.00 1ppx s THR 21 N -2.62 4.73 -0.95 8.37 -1.32 -0.28 -3.88 115.64 119.69 1ppx s THR 21 Ca 0.30 0.52 -0.09 0.00 -1.21 0.00 0.00 61.69 61.22 1ppx s THR 21 Cb -0.01 -4.24 0.24 0.00 -1.51 0.00 0.00 72.50 66.97 1ppx s THR 21 CO 0.15 -0.57 0.90 -0.13 -2.21 0.00 0.00 174.62 172.75 1ppx s ARG 22 N 3.10 3.73 -1.14 7.08 0.52 -1.26 -2.20 118.95 128.78 1ppx s ARG 22 Ca 0.28 -2.96 0.00 0.00 -0.52 0.00 0.00 55.73 52.54 1ppx s ARG 22 Cb -0.13 -4.35 0.00 0.00 0.52 0.00 0.00 34.95 30.99 1ppx s ARG 22 CO 0.20 -1.25 0.00 0.54 0.02 0.00 0.00 175.30 174.80 1ppx n ARG 23 N 3.07 -1.62 -2.18 3.54 1.74 -1.26 -1.33 116.66 118.62 1ppx n ARG 23 Ca 0.19 0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 57.83 1ppx n ARG 23 Cb 0.41 -4.98 -0.01 0.00 -1.02 0.00 0.00 32.46 26.85 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 -0.59 -0.69 -3.74 7.54 0.00 -1.26 -0.04 120.51 121.73 1ppx n ALA 24 Ca -0.12 0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1ppx n ALA 24 Cb 0.46 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.81 -1.29 -3.71 0.00 0.00 -0.44 -4.97 120.51 108.28 1ppx n ALA 25 Ca -0.09 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 1ppx n ALA 25 Cb 0.50 -5.05 -0.03 0.00 0.00 0.00 0.00 19.45 14.87 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 -2.92 0.49 -0.35 0.00 5.68 0.95 -5.18 116.55 115.22 1ppx n ASP 26 Ca 0.03 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1ppx n ASP 26 Cb 0.54 0.51 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 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 -2.18 0.00 -0.38 2.12 0.00 -1.26 -4.68 120.51 114.12 1ppx n ALA 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ppx n ALA 27 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.17 0.00 -2.91 0.00 -0.00 -1.26 -4.39 115.22 106.49 1ppx n HIS 28 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 1ppx n HIS 28 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 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 0.00 3.98 0.08 -0.41 2.81 -1.26 -4.72 117.12 117.60 1ppx n MET 29 Ca 0.00 -4.23 0.01 0.00 -1.81 0.00 0.00 57.70 51.67 1ppx n MET 29 Cb 0.00 -2.67 -0.03 0.00 -0.71 0.00 0.00 33.22 29.81 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ppx h ALA 30 N 5.93 0.65 -0.80 3.04 0.00 -1.83 -3.32 119.26 122.93 1ppx h ALA 30 Ca 0.25 -0.65 -0.39 0.00 0.00 0.00 0.00 54.91 54.13 1ppx h ALA 30 Cb 0.70 0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.35 1ppx h ALA 30 CO 1.33 0.77 0.49 0.27 0.00 0.00 0.00 179.25 182.11 1ppx n ASN 31 N -3.05 3.77 -0.88 0.00 0.23 -1.26 -4.25 115.26 109.83 1ppx n ASN 31 Ca -0.04 -3.28 0.02 0.00 -0.53 0.00 0.00 54.58 50.75 1ppx n ASN 31 Cb 0.79 -0.77 0.21 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.73 2.00 -1.56 -3.83 5.02 -1.08 -2.76 118.16 115.21 1ppx n LYS 32 Ca 0.47 -3.04 -0.13 0.00 -2.02 0.00 0.00 58.31 53.59 1ppx n LYS 32 Cb 1.44 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.61 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 1.54 0.00 -0.35 0.00 -1.00 -4.53 117.00 111.64 1ppx n LEU 33 Ca 0.26 -1.68 0.00 0.00 0.00 0.00 0.00 56.01 54.60 1ppx n LEU 33 Cb 0.91 -1.63 0.00 0.00 0.00 0.00 0.00 43.42 42.70 1ppx n LEU 33 CO 0.13 -2.82 0.00 1.21 0.00 0.00 0.00 177.39 175.91 1ppx n GLU 34 N 8.50 1.33 -4.55 1.96 2.13 -0.93 -3.92 120.64 125.15 1ppx n GLU 34 Ca 0.46 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.02 1ppx n GLU 34 Cb 0.43 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.03 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 -1.28 2.42 1.07 4.31 -0.12 -1.26 -1.12 117.98 121.99 1ppx s PHE 35 Ca 0.00 -0.51 -0.21 0.00 -0.05 0.00 0.00 56.93 56.15 1ppx s PHE 35 Cb 0.00 -1.42 -0.00 0.00 -0.63 0.00 0.00 43.02 40.96 1ppx s PHE 35 CO 0.00 0.57 -0.50 -0.35 -0.05 0.00 0.00 175.22 174.89 1ppx n PRO 36 N -0.81 -0.96 0.00 1.99 -0.04 -1.26 -4.78 135.00 129.13 1ppx n PRO 36 Ca -0.05 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1ppx n PRO 36 Cb 0.64 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.52 0.82 2.63 0.55 0.00 -1.24 -3.53 105.19 106.94 1ppx n GLY 37 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.67 0.43 0.00 -0.02 0.00 -1.25 -3.44 107.32 101.37 1ppx s GLY 38 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1ppx s GLY 38 CO 0.00 1.69 0.00 1.17 0.00 0.00 0.00 173.10 175.96 1ppx n LYS 39 N 5.23 0.00 -0.11 2.90 4.81 -1.26 -5.03 118.16 124.70 1ppx n LYS 39 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.32 1ppx n LYS 39 Cb 0.48 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.49 1ppx n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1ppx h ILE 40 N 0.00 0.00 0.00 3.15 2.10 -1.86 -3.23 117.51 117.67 1ppx h ILE 40 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ppx h ILE 40 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1ppx h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.23 1ppx n GLU 41 N -3.87 0.00 0.00 2.19 0.28 -1.24 -4.37 120.64 113.64 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 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 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 -0.32 0.00 -0.28 3.44 2.81 -1.22 -2.92 117.12 118.63 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 0.69 0.00 3.03 0.00 -1.26 -5.10 105.19 102.55 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 0.69 -4.06 1.61 4.71 -1.15 -5.08 120.64 117.36 1ppx n GLU 44 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.89 1ppx n GLU 44 Cb 0.34 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.72 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 -0.30 4.61 0.61 2.62 2.01 -1.26 -4.79 115.64 119.14 1ppx s THR 45 Ca 0.00 -1.01 0.26 0.00 0.31 0.00 0.00 61.69 61.25 1ppx s THR 45 Cb 0.00 -3.35 0.36 0.00 0.01 0.00 0.00 72.50 69.52 1ppx s THR 45 CO 0.00 -0.10 1.47 1.55 -0.69 0.00 0.00 174.62 176.85 1ppx h PRO 46 N 2.40 0.00 0.00 4.92 0.13 -1.98 1.57 132.00 139.04 1ppx h PRO 46 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 1ppx h PRO 46 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1ppx h PRO 46 CO 0.64 0.00 -1.84 0.39 -0.23 0.00 0.00 178.00 176.96 1ppx n GLU 47 N -3.31 0.56 0.00 0.86 -0.58 -1.26 -4.43 120.64 112.48 1ppx n GLU 47 Ca 0.17 0.36 0.15 0.00 -0.42 0.00 0.00 57.16 57.42 1ppx n GLU 47 Cb 1.23 -1.56 0.77 0.00 -0.57 0.00 0.00 31.44 31.31 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 -4.36 0.52 0.25 3.49 1.13 -0.57 -3.28 117.38 114.58 1ppx n GLN 48 Ca -0.40 -0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 54.50 1ppx n GLN 48 Cb 0.74 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.51 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ppx h ALA 49 N 3.52 -0.66 0.14 -1.58 0.00 0.20 -2.80 119.26 118.08 1ppx h ALA 49 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 1ppx h ALA 49 Cb 0.26 0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1ppx h ALA 49 CO 0.00 -0.72 -1.22 -0.24 0.00 0.00 0.00 179.25 177.07 1ppx h VAL 50 N -0.97 1.31 -0.98 0.00 3.04 -1.78 -3.03 116.25 113.83 1ppx h VAL 50 Ca -0.07 -2.49 0.24 0.00 -1.01 0.00 0.00 66.70 63.37 1ppx h VAL 50 Cb 0.60 2.80 -0.08 0.00 -2.01 0.00 0.00 31.29 32.60 1ppx h VAL 50 CO 0.11 0.75 0.64 0.58 -1.01 0.00 0.00 177.57 178.64 1ppx h VAL 51 N 0.18 0.60 0.02 1.51 2.07 -1.66 0.94 116.25 119.90 1ppx h VAL 51 Ca -0.19 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ppx h VAL 51 Cb 1.91 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1ppx h VAL 51 CO 0.23 0.07 -0.01 -0.09 0.02 0.00 0.00 177.57 177.80 1ppx h ARG 52 N 0.39 -0.03 0.00 1.57 9.65 -1.55 -3.29 114.38 121.13 1ppx h ARG 52 Ca 0.53 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.40 1ppx h ARG 52 Cb 1.37 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.95 1ppx h ARG 52 CO -0.23 0.70 -0.05 1.49 2.80 0.00 0.00 179.97 184.68 1ppx h GLU 53 N -0.94 0.00 -0.68 0.20 4.57 -1.21 -2.38 114.58 114.14 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 0.74 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.26 1ppx h GLU 53 CO 0.00 0.05 0.32 1.25 -1.18 0.00 0.00 179.01 179.46 1ppx h LEU 54 N 0.00 0.41 -2.20 1.64 5.85 0.81 0.38 115.31 122.20 1ppx h LEU 54 Ca -0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ppx h LEU 54 Cb 0.14 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1ppx h LEU 54 CO 0.01 0.24 -0.02 1.56 -0.34 0.00 0.00 178.44 179.88 1ppx h GLN 55 N 0.56 0.00 0.00 1.25 4.20 -1.55 0.25 115.11 119.82 1ppx h GLN 55 Ca 0.34 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.94 1ppx h GLN 55 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1ppx h GLN 55 CO -0.27 0.02 -0.48 1.49 -0.67 0.00 0.00 178.83 178.92 1ppx h GLU 56 N 0.00 0.00 -0.26 1.46 4.81 -0.37 0.20 114.58 120.42 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 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ppx h GLU 56 CO 0.00 0.48 0.00 0.39 -0.73 0.00 0.00 179.01 179.15 1ppx n GLU 57 N -3.33 2.03 0.00 1.92 4.71 0.02 0.75 120.64 126.73 1ppx n GLU 57 Ca 0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 57.16 55.34 1ppx n GLU 57 Cb 0.66 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 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 0.77 0.00 -0.56 2.62 0.31 0.68 -4.28 118.33 117.87 1ppx n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ppx n VAL 58 Cb 0.42 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.98 0.00 1.23 2.92 0.00 0.69 0.12 105.19 112.13 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 -1.57 0.00 -3.75 -0.61 -5.35 -1.26 -4.72 119.36 102.09 1ppx n ILE 60 Ca 0.00 -0.81 -0.35 0.00 -0.27 0.00 0.00 62.75 61.33 1ppx n ILE 60 Cb 0.14 0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.60 3.59 0.11 7.28 -4.23 -1.26 -4.99 115.64 114.53 1ppx s THR 61 Ca 0.00 -3.32 0.08 0.00 -1.18 0.00 0.00 61.69 57.28 1ppx s THR 61 Cb -0.00 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1ppx s THR 61 CO 0.00 -0.92 -0.15 -2.16 -0.54 0.00 0.00 174.62 170.85 1ppx s PRO 62 N -0.48 1.92 -1.24 3.99 0.04 -1.26 -2.96 135.00 135.01 1ppx s PRO 62 Ca 0.20 -1.11 -0.20 0.00 0.04 0.00 0.00 61.00 59.92 1ppx s PRO 62 Cb -0.17 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1ppx s PRO 62 CO -0.06 0.49 1.85 1.04 0.04 0.00 0.00 177.00 180.37 1ppx n GLN 63 N 0.83 2.38 -4.80 4.56 6.02 0.46 -4.85 117.38 121.98 1ppx n GLN 63 Ca -0.15 -2.85 -0.30 0.00 -0.01 0.00 0.00 57.00 53.69 1ppx n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.02 1ppx n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ppx s HIS 64 N 7.57 2.28 0.00 1.08 5.65 -1.25 -1.40 115.29 129.22 1ppx s HIS 64 Ca 0.61 -1.02 0.00 0.00 0.25 0.00 0.00 55.06 54.90 1ppx s HIS 64 Cb 0.02 -1.57 0.00 0.00 -1.18 0.00 0.00 32.58 29.85 1ppx s HIS 64 CO 0.11 -0.46 0.00 0.34 -0.65 0.00 0.00 174.74 174.07 1ppx n PHE 65 N 3.87 0.00 -1.32 3.88 -0.00 -1.25 -4.95 117.46 117.69 1ppx n PHE 65 Ca -0.20 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.40 1ppx n PHE 65 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.92 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 -6.93 -3.94 -2.13 7.64 -1.24 -2.31 113.62 104.71 1ppx n SER 66 Ca 0.00 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.72 1ppx n SER 66 Cb 0.00 -4.43 -0.16 0.00 -1.01 0.00 0.00 64.21 58.61 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 -6.84 2.18 -0.09 -3.43 0.20 -1.26 -0.56 118.68 108.87 1ppx s LEU 67 Ca 0.00 -0.92 -0.21 0.00 0.69 0.00 0.00 54.13 53.69 1ppx s LEU 67 Cb 0.00 -1.12 -0.17 0.00 -0.43 0.00 0.00 46.19 44.47 1ppx s LEU 67 CO 0.00 -0.19 0.72 0.15 -0.29 0.00 0.00 176.35 176.74 1ppx h PHE 68 N 8.01 -0.07 -1.43 5.38 3.57 -1.63 -3.43 116.94 127.34 1ppx h PHE 68 Ca -0.23 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.39 1ppx h PHE 68 Cb 1.09 0.02 -0.28 0.00 2.79 0.00 0.00 35.95 39.57 1ppx h PHE 68 CO 0.48 0.52 0.49 -1.21 -2.23 0.00 0.00 178.31 176.36 1ppx s GLU 69 N -2.69 0.31 -0.07 1.11 2.02 -0.91 -5.00 118.70 113.47 1ppx s GLU 69 Ca -0.13 0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.40 1ppx s GLU 69 Cb -0.01 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1ppx s GLU 69 CO 0.50 -0.06 -0.18 -1.59 0.02 0.00 0.00 175.26 173.95 1ppx s LYS 70 N 1.09 2.12 0.24 1.61 0.00 -1.26 -1.81 119.74 121.72 1ppx s LYS 70 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 55.97 55.35 1ppx s LYS 70 Cb -0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 37.83 36.03 1ppx s LYS 70 CO -0.13 0.16 0.17 -0.48 0.00 0.00 0.00 175.35 175.07 1ppx s LEU 71 N 0.33 3.75 -0.17 2.77 0.05 0.51 -4.95 118.68 120.96 1ppx s LEU 71 Ca -0.11 -0.27 -0.05 0.00 0.05 0.00 0.00 54.13 53.74 1ppx s LEU 71 Cb -0.15 -2.29 0.06 0.00 -2.05 0.00 0.00 46.19 41.76 1ppx s LEU 71 CO 0.05 -0.02 0.09 -0.70 -0.55 0.00 0.00 176.35 175.22 1ppx s GLU 72 N -3.73 0.06 0.08 1.48 2.12 -1.26 -2.37 118.70 115.08 1ppx s GLU 72 Ca 0.32 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.61 1ppx s GLU 72 Cb -0.08 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.46 1ppx s GLU 72 CO 0.24 -0.67 -0.10 -0.47 -0.54 0.00 0.00 175.26 173.72 1ppx s TYR 73 N 2.14 0.99 -0.02 5.30 5.04 -1.05 -5.05 117.35 124.70 1ppx s TYR 73 Ca 0.02 -0.58 0.08 0.00 -2.44 0.00 0.00 57.07 54.14 1ppx s TYR 73 Cb -0.16 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.57 1ppx s TYR 73 CO -0.09 -0.01 -0.24 -1.83 -1.34 0.00 0.00 175.55 172.03 1ppx s GLU 74 N -2.30 1.98 0.30 4.97 -1.05 -1.26 -0.98 118.70 120.35 1ppx s GLU 74 Ca 0.00 -0.87 0.07 0.00 -0.15 0.00 0.00 54.97 54.01 1ppx s GLU 74 Cb -0.06 -1.91 -0.03 0.00 -0.44 0.00 0.00 34.13 31.69 1ppx s GLU 74 CO 0.00 0.52 0.32 -0.06 0.95 0.00 0.00 175.26 177.00 1ppx s PHE 75 N -0.57 3.11 -0.37 4.83 0.40 0.34 -4.87 117.98 120.85 1ppx s PHE 75 Ca 0.09 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 1ppx s PHE 75 Cb -0.09 -1.70 -0.09 0.00 0.51 0.00 0.00 43.02 41.65 1ppx s PHE 75 CO -0.01 0.27 1.40 -0.35 0.70 0.00 0.00 175.22 177.23 1ppx n PRO 76 N -1.40 0.04 -0.73 0.24 -0.04 -1.26 0.85 135.00 132.71 1ppx n PRO 76 Ca -0.04 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1ppx n PRO 76 Cb 0.58 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 9.06 -2.17 -3.61 3.54 2.03 -1.26 -5.01 116.55 119.12 1ppx n ASP 77 Ca 0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.18 1ppx n ASP 77 Cb 0.47 -0.36 -0.15 0.00 -0.72 0.00 0.00 41.12 40.36 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 -0.27 0.36 -0.27 -0.67 3.52 0.25 -3.43 118.95 118.43 1ppx s ARG 78 Ca 0.00 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 1ppx s ARG 78 Cb 0.00 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.88 1ppx s ARG 78 CO 0.00 -0.96 1.34 -1.01 -0.81 0.00 0.00 175.30 173.86 1ppx s HIS 79 N 1.95 2.63 -0.33 5.12 3.76 -1.26 0.13 115.29 127.29 1ppx s HIS 79 Ca 0.08 0.84 -0.08 0.00 -0.15 0.00 0.00 55.06 55.75 1ppx s HIS 79 Cb -0.16 -3.85 0.02 0.00 1.11 0.00 0.00 32.58 29.70 1ppx s HIS 79 CO -0.30 -1.88 0.13 -1.50 -0.85 0.00 0.00 174.74 170.34 1ppx s ILE 80 N 4.34 4.16 -0.18 0.60 2.07 -0.15 0.11 121.20 132.14 1ppx s ILE 80 Ca 0.58 -0.85 -0.07 0.00 -1.41 0.00 0.00 60.65 58.90 1ppx s ILE 80 Cb -0.19 -3.26 -0.04 0.00 0.13 0.00 0.00 42.46 39.11 1ppx s ILE 80 CO 0.23 -0.10 0.04 0.42 -1.91 0.00 0.00 174.94 173.62 1ppx s THR 81 N 1.50 4.59 -0.19 4.00 -4.23 -0.49 -2.54 115.64 118.28 1ppx s THR 81 Ca 0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1ppx s THR 81 Cb -0.18 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.64 1ppx s THR 81 CO 0.04 0.47 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.75 1ppx s LEU 82 N 0.37 2.03 -0.20 4.79 1.43 -1.00 0.17 118.68 126.27 1ppx s LEU 82 Ca 0.01 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1ppx s LEU 82 Cb -0.13 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1ppx s LEU 82 CO 0.01 -0.17 -0.05 0.26 0.23 0.00 0.00 176.35 176.62 1ppx s TRP 83 N 1.49 2.94 -0.32 0.29 0.52 -0.30 -0.37 118.94 123.21 1ppx s TRP 83 Ca -0.01 -0.83 -0.10 0.00 0.02 0.00 0.00 56.10 55.19 1ppx s TRP 83 Cb -0.16 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.10 1ppx s TRP 83 CO -0.08 -0.45 0.15 -0.06 0.02 0.00 0.00 176.95 176.54 1ppx s PHE 84 N 1.20 3.18 0.13 -1.98 0.40 -0.75 0.13 117.98 120.30 1ppx s PHE 84 Ca 0.02 -0.63 -0.07 0.00 -0.60 0.00 0.00 56.93 55.66 1ppx s PHE 84 Cb -0.14 -2.36 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 1ppx s PHE 84 CO -0.01 -0.48 0.40 -1.58 0.70 0.00 0.00 175.22 174.25 1ppx s TRP 85 N 1.60 3.50 -0.50 0.36 0.52 0.39 -2.00 118.94 122.81 1ppx s TRP 85 Ca 0.04 0.65 -0.15 0.00 0.02 0.00 0.00 56.10 56.66 1ppx s TRP 85 Cb -0.17 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.18 1ppx s TRP 85 CO 0.06 0.44 0.42 -1.17 0.02 0.00 0.00 176.95 176.72 1ppx s LEU 86 N -2.48 5.82 0.31 2.99 1.98 0.27 -2.93 118.68 124.65 1ppx s LEU 86 Ca 0.40 -1.57 -0.22 0.00 -2.89 0.00 0.00 54.13 49.84 1ppx s LEU 86 Cb -0.12 -2.16 -0.10 0.00 0.66 0.00 0.00 46.19 44.47 1ppx s LEU 86 CO 0.22 -0.73 0.86 -0.69 -1.89 0.00 0.00 176.35 174.13 1ppx s VAL 87 N 1.59 4.38 -0.18 1.68 1.01 -1.14 -3.63 120.40 124.11 1ppx s VAL 87 Ca 0.04 1.55 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 1ppx s VAL 87 Cb -0.27 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1ppx s VAL 87 CO 0.04 0.06 -0.20 -0.62 0.00 0.00 0.00 175.10 174.38 1ppx n GLU 88 N 0.34 0.40 -3.67 2.72 1.02 -1.14 -3.52 120.64 116.79 1ppx n GLU 88 Ca 0.02 0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1ppx n GLU 88 Cb 0.51 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1ppx n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1ppx s ARG 89 N -2.33 1.33 -0.01 3.49 1.70 -0.49 -4.29 118.95 118.35 1ppx s ARG 89 Ca -0.24 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1ppx s ARG 89 Cb 0.08 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.98 1ppx s ARG 89 CO 0.35 -0.60 0.01 1.67 -1.08 0.00 0.00 175.30 175.64 1ppx s TRP 90 N -3.56 0.06 -0.48 5.89 -2.14 -1.25 -0.41 118.94 117.06 1ppx s TRP 90 Ca 0.08 0.03 -0.23 0.00 2.66 0.00 0.00 56.10 58.64 1ppx s TRP 90 Cb -0.03 -0.12 0.03 0.00 -3.10 0.00 0.00 33.47 30.25 1ppx s TRP 90 CO -0.02 -0.04 0.81 -2.00 -2.66 0.00 0.00 176.95 173.05 1ppx s GLU 91 N 0.40 3.37 0.00 3.25 -6.30 -1.15 -4.80 118.70 113.46 1ppx s GLU 91 Ca -0.03 -0.20 0.00 0.00 -2.50 0.00 0.00 54.97 52.24 1ppx s GLU 91 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 30.10 1ppx s GLU 91 CO -0.01 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.47 1ppx n GLY 92 N 5.03 0.71 2.93 -1.50 0.00 -1.26 -4.41 105.19 106.69 1ppx n GLY 92 Ca 0.02 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 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 0.62 0.01 1.61 2.12 -1.26 -5.13 118.70 116.67 1ppx s GLU 93 Ca 0.00 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 1ppx s GLU 93 Cb 0.00 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.72 1ppx s GLU 93 CO 0.00 0.03 1.12 -2.14 -0.54 0.00 0.00 175.26 173.73 1ppx s PRO 94 N 0.37 4.45 0.19 4.30 0.02 -1.26 -4.72 135.00 138.34 1ppx s PRO 94 Ca -0.04 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1ppx s PRO 94 Cb -0.08 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.00 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 4.25 -1.47 0.00 6.54 4.27 -0.13 -4.94 117.44 125.96 1ppx n TRP 95 Ca 0.08 0.26 0.00 0.00 -3.89 0.00 0.00 57.50 53.95 1ppx n TRP 95 Cb 0.48 0.39 0.00 0.00 -1.36 0.00 0.00 31.31 30.82 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 2.12 0.48 0.00 -1.67 0.00 0.12 -4.55 105.19 101.69 1ppx n GLY 96 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.93 1.61 0.00 0.23 -4.65 118.16 113.42 1ppx n LYS 97 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.29 1ppx n LYS 97 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ppx n LYS 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ppx n GLU 98 N 0.00 -2.14 0.00 1.64 0.28 -1.22 -3.67 120.64 115.53 1ppx n GLU 98 Ca 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1ppx n GLU 98 Cb 0.00 -4.45 0.00 0.00 1.43 0.00 0.00 31.44 28.42 1ppx n GLU 98 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ppx n GLY 99 N -0.35 0.19 3.19 -1.84 0.00 -1.26 -4.59 105.19 100.53 1ppx n GLY 99 Ca -0.03 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 2.43 0.44 1.61 -0.21 -1.24 -5.08 119.66 117.61 1ppx s GLN 100 Ca 0.00 -1.84 -0.21 0.00 0.02 0.00 0.00 55.36 53.33 1ppx s GLN 100 Cb 0.00 -3.87 -0.13 0.00 1.00 0.00 0.00 33.01 30.01 1ppx s GLN 100 CO 0.00 -1.18 0.45 -2.30 -2.12 0.00 0.00 175.29 170.14 1ppx n PRO 101 N 4.75 0.46 -4.39 2.91 -0.02 -1.26 -4.62 135.00 132.84 1ppx n PRO 101 Ca -0.05 0.17 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 1ppx n PRO 101 Cb 0.41 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 1ppx n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ppx s GLY 102 N -0.98 1.88 0.24 -1.23 0.00 -1.26 -4.72 107.32 101.23 1ppx s GLY 102 Ca 0.63 -1.95 0.11 0.00 0.00 0.00 0.00 44.72 43.51 1ppx s GLY 102 CO 0.59 -1.73 -0.13 -1.83 0.00 0.00 0.00 173.10 170.00 1ppx s GLU 103 N -3.92 1.90 -0.44 2.90 1.03 -1.25 -4.89 118.70 114.02 1ppx s GLU 103 Ca 0.35 -1.51 -0.28 0.00 0.03 0.00 0.00 54.97 53.56 1ppx s GLU 103 Cb 0.08 -1.98 -0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1ppx s GLU 103 CO 0.14 0.38 1.75 -1.58 -1.33 0.00 0.00 175.26 174.62 1ppx s TRP 104 N -2.12 1.85 0.32 4.83 0.51 -1.26 -3.40 118.94 119.68 1ppx s TRP 104 Ca 0.27 0.69 0.09 0.00 -2.12 0.00 0.00 56.10 55.03 1ppx s TRP 104 Cb -0.07 -4.15 -0.06 0.00 -0.81 0.00 0.00 33.47 28.38 1ppx s TRP 104 CO 0.15 -2.56 -0.11 -1.64 -0.51 0.00 0.00 176.95 172.28 1ppx s MET 105 N 6.03 1.75 -0.18 4.98 -1.94 -0.55 -4.87 119.30 124.52 1ppx s MET 105 Ca 0.72 -1.89 -0.29 0.00 -1.71 0.00 0.00 55.69 52.52 1ppx s MET 105 Cb -0.17 -1.63 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 1ppx s MET 105 CO 0.29 0.16 1.53 -1.12 -0.01 0.00 0.00 175.02 175.86 1ppx s SER 106 N -3.57 6.58 0.38 3.03 0.01 -1.26 0.11 113.70 118.98 1ppx s SER 106 Ca 0.32 1.72 0.24 0.00 1.31 0.00 0.00 55.95 59.54 1ppx s SER 106 Cb 0.01 -2.53 0.47 0.00 0.21 0.00 0.00 66.02 64.18 1ppx s SER 106 CO 0.15 -1.08 1.66 0.25 0.41 0.00 0.00 173.24 174.63 1ppx h LEU 107 N 10.93 0.00 -1.09 2.44 7.12 -1.82 -3.26 115.31 129.63 1ppx h LEU 107 Ca -0.33 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1ppx h LEU 107 Cb 1.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 1ppx h LEU 107 CO 0.99 0.00 0.10 0.52 -0.13 0.00 0.00 178.44 179.92 1ppx n VAL 108 N -2.89 0.98 -1.63 1.05 0.31 -1.26 -1.48 118.33 113.41 1ppx n VAL 108 Ca 0.04 0.71 -0.17 0.00 -0.01 0.00 0.00 64.34 64.92 1ppx n VAL 108 Cb 0.50 -1.71 0.12 0.00 -0.91 0.00 0.00 33.84 31.84 1ppx n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 109 N -1.31 5.60 3.75 2.92 0.00 -1.23 -4.95 105.19 109.97 1ppx n GLY 109 Ca -0.01 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.48 4.36 -0.08 0.99 2.96 -0.55 -5.01 118.68 117.88 1ppx s LEU 110 Ca 0.51 2.84 0.04 0.00 -0.22 0.00 0.00 54.13 57.29 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 0.32 2.62 0.28 3.68 0.01 -1.26 -4.81 114.94 115.77 1ppx s ASN 111 Ca 0.60 -0.46 0.25 0.00 -0.71 0.00 0.00 52.86 52.54 1ppx s ASN 111 Cb -0.45 -1.07 0.96 0.00 0.41 0.00 0.00 41.25 41.10 1ppx s ASN 111 CO 0.48 0.14 1.75 0.00 -1.51 0.00 0.00 177.10 177.96 1ppx h ALA 112 N 6.62 1.00 0.02 0.60 0.00 -1.93 -2.96 119.26 122.61 1ppx h ALA 112 Ca -0.26 0.00 -0.03 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 -0.12 0.22 0.00 0.00 0.00 179.25 179.83 1ppx h ASP 113 N 0.00 0.08 -0.12 0.00 1.82 -1.96 -3.36 116.42 112.87 1ppx h ASP 113 Ca 0.00 -0.93 -0.13 0.00 -0.39 0.00 0.00 57.03 55.58 1ppx h ASP 113 Cb 0.48 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1ppx h ASP 113 CO 0.00 1.00 -0.36 -2.24 -1.61 0.00 0.00 179.24 176.03 1ppx h ASP 114 N -0.83 0.66 -4.25 2.28 2.03 -1.89 -3.45 116.42 110.97 1ppx h ASP 114 Ca -0.02 -0.28 -0.45 0.00 -0.73 0.00 0.00 57.03 55.55 1ppx h ASP 114 Cb 1.03 -0.18 0.14 0.00 -0.83 0.00 0.00 39.33 39.48 1ppx h ASP 114 CO 0.02 0.96 0.39 0.72 -1.03 0.00 0.00 179.24 180.30 1ppx s PHE 115 N -4.34 2.16 0.20 4.15 -0.71 -1.12 -2.39 117.98 115.93 1ppx s PHE 115 Ca -0.08 0.56 -0.30 0.00 -1.04 0.00 0.00 56.93 56.07 1ppx s PHE 115 Cb 0.12 -3.76 -0.08 0.00 -1.21 0.00 0.00 43.02 38.10 1ppx s PHE 115 CO 0.83 -2.36 1.06 -1.25 -1.34 0.00 0.00 175.22 172.16 1ppx s PRO 116 N -5.67 4.66 0.28 1.99 0.04 -1.11 -4.69 135.00 130.49 1ppx s PRO 116 Ca 0.68 1.67 0.20 0.00 0.04 0.00 0.00 61.00 63.59 1ppx s PRO 116 Cb -0.08 -3.27 1.03 0.00 0.04 0.00 0.00 34.50 32.22 1ppx s PRO 116 CO 0.52 0.19 1.61 -0.35 0.04 0.00 0.00 177.00 179.01 1ppx n PRO 117 N 2.04 0.14 0.00 0.56 -0.04 -1.26 -2.54 135.00 133.89 1ppx n PRO 117 Ca 0.01 0.58 0.03 0.00 -0.04 0.00 0.00 63.50 64.08 1ppx n PRO 117 Cb 0.46 -1.90 0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.75 1.30 -2.65 0.55 0.00 -1.26 -3.01 120.51 113.69 1ppx n ALA 118 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1ppx n ALA 118 Cb 0.07 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.45 1ppx n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 119 N -1.48 2.20 -0.04 0.00 4.13 -1.05 -4.91 115.26 114.09 1ppx n ASN 119 Ca 0.02 -2.60 -0.13 0.00 1.68 0.00 0.00 54.58 53.55 1ppx n ASN 119 Cb 0.07 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 37.72 1ppx n ASN 119 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1ppx h GLU 120 N 2.68 -0.02 -1.11 3.52 4.11 -1.74 -2.91 114.58 119.12 1ppx h GLU 120 Ca -0.03 0.00 0.35 0.00 0.07 0.00 0.00 59.36 59.75 1ppx h GLU 120 Cb 1.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1ppx h GLU 120 CO 0.41 0.73 0.68 -1.35 0.07 0.00 0.00 179.01 179.54 1ppx h PRO 121 N -0.82 0.25 0.01 1.06 0.11 -1.91 1.31 132.00 132.01 1ppx h PRO 121 Ca -0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1ppx h PRO 121 Cb 0.76 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1ppx h PRO 121 CO 0.00 0.17 -0.12 0.28 -0.21 0.00 0.00 178.00 178.13 1ppx h VAL 122 N 0.26 1.65 0.00 3.15 2.07 -1.96 -3.28 116.25 118.13 1ppx h VAL 122 Ca 0.73 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1ppx h VAL 122 Cb 1.92 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 34.71 1ppx h VAL 122 CO -0.49 0.55 -0.24 0.40 0.02 0.00 0.00 177.57 177.81 1ppx h ILE 123 N -0.75 1.17 -0.29 4.57 1.08 -0.81 -2.11 117.51 120.37 1ppx h ILE 123 Ca -0.02 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 63.72 1ppx h ILE 123 Cb 0.96 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.14 1ppx h ILE 123 CO 0.02 0.23 0.21 0.00 -0.69 0.00 0.00 178.15 177.93 1ppx h ALA 124 N 1.76 2.25 0.02 1.87 0.00 0.15 1.59 119.26 126.91 1ppx h ALA 124 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ppx h ALA 124 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ppx h ALA 124 CO 0.03 -0.36 -0.19 -0.22 0.00 0.00 0.00 179.25 178.51 1ppx h LYS 125 N 0.00 0.09 0.00 0.00 3.11 -1.47 -3.29 116.57 115.01 1ppx h LYS 125 Ca 0.14 -0.13 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1ppx h LYS 125 Cb 0.56 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 1ppx h LYS 125 CO -0.00 0.99 -0.92 1.25 -2.81 0.00 0.00 179.45 177.96 1ppx h LEU 126 N -0.74 0.02 -0.81 5.20 7.12 -1.40 -3.28 115.31 121.42 1ppx h LEU 126 Ca -0.03 -0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.05 1ppx h LEU 126 Cb 1.07 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.13 1ppx h LEU 126 CO 0.04 0.93 0.47 0.50 -0.13 0.00 0.00 178.44 180.24 1ppx h LYS 127 N 0.01 0.78 0.00 1.25 3.64 0.22 0.76 116.57 123.23 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 1.62 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1ppx h LYS 127 CO 0.12 0.52 0.00 -2.13 -2.27 0.00 0.00 179.45 175.69 1ppx n ARG 128 N -4.73 0.11 -0.44 1.90 0.63 -1.24 -4.92 116.66 107.97 1ppx n ARG 128 Ca 0.13 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 1ppx n ARG 128 Cb 0.25 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40