#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppx s LYS 2 N 0.00 4.39 -0.06 0.03 1.02 -1.23 -5.04 119.74 118.86 1ppx s LYS 2 Ca 0.00 0.90 -0.01 0.00 0.02 0.00 0.00 55.97 56.88 1ppx s LYS 2 Cb 0.00 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1ppx s LYS 2 CO 0.00 0.40 0.01 0.15 -0.92 0.00 0.00 175.35 174.99 1ppx s LYS 3 N -0.39 0.46 -0.17 1.68 3.01 -1.26 -2.38 119.74 120.70 1ppx s LYS 3 Ca 0.34 0.14 -0.02 0.00 -1.01 0.00 0.00 55.97 55.41 1ppx s LYS 3 Cb -0.20 -0.82 -0.01 0.00 -1.01 0.00 0.00 37.83 35.79 1ppx s LYS 3 CO 0.21 -0.27 -0.08 -0.48 0.51 0.00 0.00 175.35 175.23 1ppx s LEU 4 N 1.81 2.87 0.25 3.17 0.05 0.16 -4.91 118.68 122.08 1ppx s LEU 4 Ca 0.02 -0.32 0.06 0.00 0.05 0.00 0.00 54.13 53.94 1ppx s LEU 4 Cb -0.13 -1.69 -0.03 0.00 -2.05 0.00 0.00 46.19 42.30 1ppx s LEU 4 CO -0.04 0.09 0.28 -1.10 -0.55 0.00 0.00 176.35 175.03 1ppx s GLN 5 N 0.80 3.18 -0.07 1.48 -0.21 -1.26 -1.12 119.66 122.45 1ppx s GLN 5 Ca -0.03 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 54.39 1ppx s GLN 5 Cb -0.15 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.17 1ppx s GLN 5 CO 0.01 0.41 0.18 0.42 -2.12 0.00 0.00 175.29 174.20 1ppx s ILE 6 N -2.06 -0.02 0.11 1.08 1.01 0.33 -3.83 121.20 117.82 1ppx s ILE 6 Ca 0.34 0.08 0.09 0.00 0.00 0.00 0.00 60.65 61.15 1ppx s ILE 6 Cb -0.08 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 1ppx s ILE 6 CO 0.27 0.03 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 1ppx s ALA 7 N 0.63 1.89 0.00 9.38 0.00 -1.25 0.16 121.76 132.57 1ppx s ALA 7 Ca -0.04 -1.28 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 1ppx s ALA 7 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ppx s ALA 7 CO -0.03 0.38 0.15 0.54 0.00 0.00 0.00 175.76 176.80 1ppx s VAL 8 N -1.17 0.08 -0.24 0.00 0.11 0.40 -3.82 120.40 115.77 1ppx s VAL 8 Ca 0.08 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1ppx s VAL 8 Cb -0.10 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.44 1ppx s VAL 8 CO 0.05 -0.37 0.39 -0.83 -3.33 0.00 0.00 175.10 171.00 1ppx s GLY 9 N -1.38 -0.42 -0.49 6.54 0.00 -1.21 0.14 107.32 110.50 1ppx s GLY 9 Ca -0.15 1.01 -0.28 0.00 0.00 0.00 0.00 44.72 45.31 1ppx s GLY 9 CO 0.02 2.64 1.10 -0.42 0.00 0.00 0.00 173.10 176.44 1ppx s ILE 10 N 2.56 4.24 -0.12 0.90 1.09 -1.20 -4.36 121.20 124.31 1ppx s ILE 10 Ca 0.11 1.08 -0.29 0.00 -1.10 0.00 0.00 60.65 60.45 1ppx s ILE 10 Cb -0.15 -4.58 -0.03 0.00 -1.06 0.00 0.00 42.46 36.63 1ppx s ILE 10 CO -0.15 -1.01 1.47 -0.63 -0.10 0.00 0.00 174.94 174.52 1ppx s ILE 11 N 4.36 3.91 -0.15 2.92 1.01 -1.26 -2.87 121.20 129.11 1ppx s ILE 11 Ca 0.45 1.09 -0.26 0.00 0.00 0.00 0.00 60.65 61.93 1ppx s ILE 11 Cb -0.08 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1ppx s ILE 11 CO 0.30 -0.13 0.88 -0.13 0.00 0.00 0.00 174.94 175.86 1ppx s ARG 12 N 3.87 4.34 0.31 2.79 1.81 -1.23 -0.12 118.95 130.71 1ppx s ARG 12 Ca 0.65 1.12 -0.05 0.00 -1.72 0.00 0.00 55.73 55.72 1ppx s ARG 12 Cb -0.27 -3.56 0.07 0.00 -0.45 0.00 0.00 34.95 30.74 1ppx s ARG 12 CO 0.23 -0.31 0.38 0.09 -0.68 0.00 0.00 175.30 175.01 1ppx n ASN 13 N 5.14 -0.23 -0.72 0.23 3.02 0.63 -2.98 115.26 120.34 1ppx n ASN 13 Ca 0.06 -1.06 0.03 0.00 -0.03 0.00 0.00 54.58 53.57 1ppx n ASN 13 Cb 0.49 -0.30 0.11 0.00 -0.61 0.00 0.00 39.78 39.46 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ppx n GLU 14 N -1.97 1.91 -2.69 3.52 2.13 -1.26 -4.11 120.64 118.17 1ppx n GLU 14 Ca 0.05 -0.86 -0.09 0.00 0.66 0.00 0.00 57.16 56.91 1ppx n GLU 14 Cb 0.17 -1.53 0.04 0.00 0.27 0.00 0.00 31.44 30.39 1ppx n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ppx n ASN 15 N 0.16 0.96 -1.91 4.31 2.85 -1.26 -4.95 115.26 115.42 1ppx n ASN 15 Ca 0.08 -2.70 -0.07 0.00 -0.11 0.00 0.00 54.58 51.77 1ppx n ASN 15 Cb 0.40 -0.32 -0.02 0.00 1.24 0.00 0.00 39.78 41.08 1ppx n ASN 15 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ppx n ASN 16 N -0.11 -2.38 -4.48 1.20 3.02 -1.26 -4.90 115.26 106.35 1ppx n ASN 16 Ca 0.08 0.26 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 1ppx n ASN 16 Cb 0.81 -2.23 -0.10 0.00 -0.61 0.00 0.00 39.78 37.65 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ppx s GLU 17 N -3.96 1.69 -0.02 3.52 2.02 -1.26 -4.56 118.70 116.12 1ppx s GLU 17 Ca 0.00 -1.81 0.07 0.00 0.02 0.00 0.00 54.97 53.25 1ppx s GLU 17 Cb 0.00 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1ppx s GLU 17 CO 0.00 0.26 -0.23 0.42 0.02 0.00 0.00 175.26 175.73 1ppx s ILE 18 N -2.58 1.82 -0.84 -1.63 1.01 0.33 0.23 121.20 119.54 1ppx s ILE 18 Ca 0.30 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1ppx s ILE 18 Cb -0.03 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 41.01 1ppx s ILE 18 CO 0.15 0.51 1.15 0.12 0.00 0.00 0.00 174.94 176.87 1ppx s PHE 19 N -0.47 2.77 0.09 3.97 5.36 0.83 -2.08 117.98 128.45 1ppx s PHE 19 Ca 0.07 -0.87 0.07 0.00 -0.96 0.00 0.00 56.93 55.25 1ppx s PHE 19 Cb -0.10 -4.40 -0.04 0.00 -0.34 0.00 0.00 43.02 38.14 1ppx s PHE 19 CO -0.00 -1.69 -0.14 0.96 -1.46 0.00 0.00 175.22 172.89 1ppx s ILE 20 N 3.91 3.11 -0.31 3.12 -5.25 -1.26 -4.43 121.20 120.09 1ppx s ILE 20 Ca 0.32 -1.29 -0.29 0.00 -0.99 0.00 0.00 60.65 58.40 1ppx s ILE 20 Cb -0.08 -2.41 -0.01 0.00 2.95 0.00 0.00 42.46 42.91 1ppx s ILE 20 CO -0.01 0.17 1.61 0.28 -1.79 0.00 0.00 174.94 175.21 1ppx s THR 21 N -1.12 3.69 -0.27 8.37 -1.32 -1.07 -4.07 115.64 119.86 1ppx s THR 21 Ca 0.19 0.74 0.01 0.00 -1.21 0.00 0.00 61.69 61.41 1ppx s THR 21 Cb -0.11 -3.83 0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1ppx s THR 21 CO 0.10 -0.46 -0.08 -0.60 -2.21 0.00 0.00 174.62 171.38 1ppx s ARG 22 N 5.06 2.38 -0.93 7.08 3.52 -1.26 -2.85 118.95 131.95 1ppx s ARG 22 Ca 0.71 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1ppx s ARG 22 Cb -0.21 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1ppx s ARG 22 CO 0.31 -0.55 0.00 0.54 -0.81 0.00 0.00 175.30 174.79 1ppx n ARG 23 N 4.51 -1.93 0.00 5.12 1.74 -1.26 -4.65 116.66 120.19 1ppx n ARG 23 Ca -0.14 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1ppx n ARG 23 Cb 0.43 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.92 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 -1.35 0.00 0.05 7.54 0.00 -1.26 -3.99 120.51 121.50 1ppx n ALA 24 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1ppx n ALA 24 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx h ALA 25 N -0.45 0.45 -5.41 0.00 0.00 -1.83 -3.47 119.26 108.55 1ppx h ALA 25 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 54.91 53.57 1ppx h ALA 25 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ppx h ALA 25 CO 0.00 1.29 -0.11 -0.40 0.00 0.00 0.00 179.25 180.04 1ppx n ASP 26 N -3.28 1.72 -3.12 0.00 5.68 -1.26 -5.01 116.55 111.28 1ppx n ASP 26 Ca -0.04 -2.08 -0.35 0.00 -0.50 0.00 0.00 54.79 51.82 1ppx n ASP 26 Cb 0.95 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.76 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 -2.43 6.65 -4.00 2.12 0.00 -1.26 -4.87 120.51 116.72 1ppx n ALA 27 Ca -0.10 -3.73 -0.30 0.00 0.00 0.00 0.00 53.44 49.31 1ppx n ALA 27 Cb 0.39 -2.51 -0.16 0.00 0.00 0.00 0.00 19.45 17.17 1ppx n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ppx s HIS 28 N -1.52 2.39 -0.43 0.00 5.04 -1.26 -4.88 115.29 114.63 1ppx s HIS 28 Ca 0.55 -1.57 -0.16 0.00 -1.54 0.00 0.00 55.06 52.35 1ppx s HIS 28 Cb 0.26 -1.63 0.02 0.00 0.04 0.00 0.00 32.58 31.27 1ppx s HIS 28 CO -0.15 -0.74 0.59 -1.33 -2.34 0.00 0.00 174.74 170.78 1ppx n MET 29 N 4.69 -2.35 0.02 2.88 2.81 -1.26 -4.60 117.12 119.32 1ppx n MET 29 Ca -0.15 2.10 0.13 0.00 -1.81 0.00 0.00 57.70 57.98 1ppx n MET 29 Cb 0.47 -5.63 0.50 0.00 -0.71 0.00 0.00 33.22 27.85 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 -0.32 2.53 -0.84 3.04 0.00 -1.26 -3.53 120.51 120.12 1ppx n ALA 30 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1ppx n ALA 30 Cb 0.45 -1.40 0.16 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.68 3.70 -0.91 0.00 5.15 -1.26 -4.22 115.26 116.04 1ppx n ASN 31 Ca 0.06 -3.31 0.02 0.00 -0.60 0.00 0.00 54.58 50.75 1ppx n ASN 31 Cb 0.36 -0.78 0.21 0.00 -0.53 0.00 0.00 39.78 39.04 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 -0.80 2.00 -0.81 1.20 5.02 -1.22 -4.16 118.16 119.38 1ppx n LYS 32 Ca 0.49 -3.05 -0.43 0.00 -2.02 0.00 0.00 58.31 53.30 1ppx n LYS 32 Cb 1.46 -1.76 -0.10 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 2.18 -4.78 -0.35 7.94 -1.25 -4.69 117.00 115.03 1ppx n LEU 33 Ca 0.27 -2.08 -0.32 0.00 -1.11 0.00 0.00 56.01 52.77 1ppx n LEU 33 Cb 0.92 -0.80 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 1ppx n LEU 33 CO 0.13 -1.47 -0.21 -0.70 -1.11 0.00 0.00 177.39 174.04 1ppx s GLU 34 N 6.32 2.20 0.31 1.96 2.12 -1.13 -4.22 118.70 126.26 1ppx s GLU 34 Ca 0.65 -2.33 0.11 0.00 0.36 0.00 0.00 54.97 53.76 1ppx s GLU 34 Cb 0.14 -1.63 -0.06 0.00 0.26 0.00 0.00 34.13 32.84 1ppx s GLU 34 CO 0.26 -0.39 -0.15 -0.59 -0.54 0.00 0.00 175.26 173.85 1ppx s PHE 35 N -2.85 2.34 1.08 5.30 -0.12 -1.26 -2.60 117.98 119.87 1ppx s PHE 35 Ca 0.11 -0.41 -0.21 0.00 -0.05 0.00 0.00 56.93 56.37 1ppx s PHE 35 Cb 0.01 -1.18 0.00 0.00 -0.63 0.00 0.00 43.02 41.23 1ppx s PHE 35 CO 0.06 0.65 -0.50 -0.35 -0.05 0.00 0.00 175.22 175.04 1ppx n PRO 36 N -0.70 -1.04 0.00 1.99 -0.04 -1.26 -4.78 135.00 129.16 1ppx n PRO 36 Ca -0.05 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1ppx n PRO 36 Cb 0.62 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.51 0.81 2.72 0.55 0.00 -1.25 -3.31 105.19 107.23 1ppx n GLY 37 Ca -0.00 -0.82 -0.20 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 -1.65 0.06 0.00 -0.02 0.00 -1.25 -3.84 107.32 100.63 1ppx s GLY 38 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1ppx s GLY 38 CO 0.00 2.17 0.00 1.17 0.00 0.00 0.00 173.10 176.44 1ppx n LYS 39 N 5.31 0.00 0.00 2.90 4.81 -1.26 -5.05 118.16 124.86 1ppx n LYS 39 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1ppx n LYS 39 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1ppx n LYS 39 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1ppx n ILE 40 N 0.00 0.00 0.00 3.15 3.06 -1.26 -3.76 119.36 120.55 1ppx n ILE 40 Ca 0.00 1.06 0.00 0.00 -2.50 0.00 0.00 62.75 61.31 1ppx n ILE 40 Cb 0.00 -1.65 0.00 0.00 0.54 0.00 0.00 39.64 38.53 1ppx n ILE 40 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1ppx n GLU 41 N -1.12 0.00 0.00 9.51 0.28 -1.25 -4.56 120.64 123.50 1ppx n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ppx n GLU 41 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ppx n GLU 41 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1ppx n MET 42 N 0.00 0.00 -0.14 3.44 1.56 -1.25 -3.73 117.12 117.00 1ppx n MET 42 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.45 1ppx n MET 42 Cb 0.00 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.40 1ppx n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ppx n GLY 43 N 0.00 1.21 0.00 -5.12 0.00 -1.26 -5.01 105.19 95.01 1ppx n GLY 43 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.46 0.14 -4.01 1.61 4.71 -1.24 -5.06 120.64 116.33 1ppx n GLU 44 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.92 1ppx n GLU 44 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.91 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 -0.46 4.94 0.61 2.62 2.01 -1.26 -4.78 115.64 119.32 1ppx s THR 45 Ca 0.00 -0.84 0.26 0.00 0.31 0.00 0.00 61.69 61.42 1ppx s THR 45 Cb 0.00 -3.52 0.36 0.00 0.01 0.00 0.00 72.50 69.35 1ppx s THR 45 CO 0.00 -0.08 1.49 1.55 -0.69 0.00 0.00 174.62 176.89 1ppx h PRO 46 N 2.36 0.00 0.00 4.92 0.13 -1.97 1.39 132.00 138.83 1ppx h PRO 46 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1ppx h PRO 46 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1ppx h PRO 46 CO 0.67 0.00 -2.52 0.39 -0.23 0.00 0.00 178.00 176.30 1ppx n GLU 47 N -3.32 0.59 0.00 0.86 4.71 -1.26 -4.47 120.64 117.75 1ppx n GLU 47 Ca 0.16 0.23 0.14 0.00 -0.01 0.00 0.00 57.16 57.69 1ppx n GLU 47 Cb 1.20 -1.48 0.70 0.00 -1.01 0.00 0.00 31.44 30.84 1ppx n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ppx n GLN 48 N -4.03 0.29 0.22 3.49 6.02 -0.52 -3.22 117.38 119.63 1ppx n GLN 48 Ca -0.52 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.32 1ppx n GLN 48 Cb 0.90 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.59 1ppx n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ppx h ALA 49 N 3.29 -0.56 0.14 -1.58 0.00 0.16 -2.62 119.26 118.09 1ppx h ALA 49 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 1ppx h ALA 49 Cb 0.36 0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.40 1ppx h ALA 49 CO 0.00 -0.67 -1.20 -0.24 0.00 0.00 0.00 179.25 177.13 1ppx h VAL 50 N -0.83 1.31 -0.98 0.00 3.04 -1.79 -2.88 116.25 114.12 1ppx h VAL 50 Ca -0.06 -2.48 0.24 0.00 -1.01 0.00 0.00 66.70 63.39 1ppx h VAL 50 Cb 0.55 2.80 -0.08 0.00 -2.01 0.00 0.00 31.29 32.55 1ppx h VAL 50 CO 0.09 0.75 0.64 0.58 -1.01 0.00 0.00 177.57 178.62 1ppx h VAL 51 N 0.17 0.60 0.10 1.51 2.07 -1.65 1.35 116.25 120.40 1ppx h VAL 51 Ca -0.19 -0.13 -0.22 0.00 0.82 0.00 0.00 66.70 66.97 1ppx h VAL 51 Cb 1.90 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1ppx h VAL 51 CO 0.23 0.07 -0.92 -0.09 0.02 0.00 0.00 177.57 176.88 1ppx h ARG 52 N 0.39 0.45 0.00 1.57 2.43 -1.51 -3.22 114.38 114.50 1ppx h ARG 52 Ca 0.53 -0.62 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1ppx h ARG 52 Cb 1.35 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1ppx h ARG 52 CO -0.22 1.26 -0.22 0.93 -1.51 0.00 0.00 179.97 180.20 1ppx h GLU 53 N -0.05 0.00 -0.73 0.20 4.39 -0.62 -2.88 114.58 114.88 1ppx h GLU 53 Ca -0.14 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.68 1ppx h GLU 53 Cb 1.66 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 30.22 1ppx h GLU 53 CO 0.18 0.22 0.31 1.25 -1.16 0.00 0.00 179.01 179.81 1ppx h LEU 54 N 0.00 0.33 -1.38 1.33 5.85 0.16 0.45 115.31 122.05 1ppx h LEU 54 Ca -0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1ppx h LEU 54 Cb 0.53 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ppx h LEU 54 CO 0.03 0.15 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.64 1ppx h GLN 55 N 0.49 0.37 0.00 1.25 4.15 -1.63 0.85 115.11 120.58 1ppx h GLN 55 Ca 0.39 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.63 1ppx h GLN 55 Cb 0.53 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1ppx h GLN 55 CO -0.36 0.42 -0.48 1.49 -1.93 0.00 0.00 178.83 177.97 1ppx h GLU 56 N 0.36 0.00 -0.24 1.69 4.22 -0.54 0.47 114.58 120.53 1ppx h GLU 56 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1ppx h GLU 56 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ppx h GLU 56 CO 0.01 0.48 0.00 0.39 -2.18 0.00 0.00 179.01 177.71 1ppx n GLU 57 N -3.33 1.94 0.00 1.92 -0.58 0.12 0.13 120.64 120.84 1ppx n GLU 57 Ca 0.01 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 1ppx n GLU 57 Cb 0.67 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.80 0.00 -0.64 2.62 0.31 0.29 -4.29 118.33 117.41 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 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.92 0.00 1.22 2.92 0.00 0.16 -0.05 105.19 111.37 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 -1.68 0.00 -3.75 -0.61 -5.35 -1.26 -4.72 119.36 101.99 1ppx n ILE 60 Ca 0.00 -0.82 -0.35 0.00 -0.27 0.00 0.00 62.75 61.31 1ppx n ILE 60 Cb 0.20 0.19 -0.10 0.00 -1.74 0.00 0.00 39.64 38.19 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 -1.71 3.63 0.10 7.28 -4.23 -1.26 -4.96 115.64 114.49 1ppx s THR 61 Ca 0.01 -3.31 0.08 0.00 -1.18 0.00 0.00 61.69 57.30 1ppx s THR 61 Cb 0.00 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1ppx s THR 61 CO 0.01 -0.92 -0.16 -2.16 -0.54 0.00 0.00 174.62 170.85 1ppx s PRO 62 N -0.48 1.93 -1.25 3.99 0.04 -1.26 -2.82 135.00 135.16 1ppx s PRO 62 Ca 0.20 -1.10 -0.20 0.00 0.04 0.00 0.00 61.00 59.93 1ppx s PRO 62 Cb -0.17 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1ppx s PRO 62 CO -0.06 0.50 1.84 1.04 0.04 0.00 0.00 177.00 180.36 1ppx n GLN 63 N 0.89 2.42 -4.97 4.56 6.02 -0.30 -4.85 117.38 121.15 1ppx n GLN 63 Ca -0.15 -2.88 -0.29 0.00 -0.01 0.00 0.00 57.00 53.67 1ppx n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 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 7.49 2.11 0.00 1.08 2.46 -1.24 -0.69 115.29 126.50 1ppx s HIS 64 Ca 0.61 -0.82 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1ppx s HIS 64 Cb 0.02 -1.44 0.00 0.00 -0.13 0.00 0.00 32.58 31.03 1ppx s HIS 64 CO 0.11 -0.35 0.00 0.34 -2.47 0.00 0.00 174.74 172.37 1ppx n PHE 65 N 3.58 0.00 -1.02 3.88 7.35 -1.26 -4.95 117.46 125.05 1ppx n PHE 65 Ca -0.20 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.61 1ppx n PHE 65 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 1ppx n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1ppx n SER 66 N 0.00 -5.62 -3.70 -2.13 2.88 -1.24 -2.41 113.62 101.40 1ppx n SER 66 Ca 0.00 0.50 -0.16 0.00 -1.33 0.00 0.00 58.87 57.88 1ppx n SER 66 Cb 0.00 -3.26 -0.15 0.00 -0.75 0.00 0.00 64.21 60.05 1ppx n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ppx s LEU 67 N -5.30 0.26 -0.01 2.46 0.05 -1.26 -1.04 118.68 113.84 1ppx s LEU 67 Ca 0.00 0.30 -0.21 0.00 0.05 0.00 0.00 54.13 54.27 1ppx s LEU 67 Cb 0.00 0.27 -0.25 0.00 -2.05 0.00 0.00 46.19 44.16 1ppx s LEU 67 CO 0.00 -0.21 1.06 0.15 -0.55 0.00 0.00 176.35 176.80 1ppx h PHE 68 N 7.93 0.56 -1.85 3.48 3.57 -1.54 -3.41 116.94 125.68 1ppx h PHE 68 Ca -0.25 -0.32 0.22 0.00 3.53 0.00 0.00 57.97 61.15 1ppx h PHE 68 Cb 1.12 -0.06 -0.14 0.00 2.79 0.00 0.00 35.95 39.67 1ppx h PHE 68 CO 0.43 1.16 0.67 -1.21 -2.23 0.00 0.00 178.31 177.13 1ppx s GLU 69 N -3.07 0.65 -0.07 1.11 2.02 -0.99 -5.02 118.70 113.33 1ppx s GLU 69 Ca -0.14 -0.31 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 1ppx s GLU 69 Cb 0.03 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.56 1ppx s GLU 69 CO 0.82 -0.29 0.15 -1.59 0.02 0.00 0.00 175.26 174.37 1ppx s LYS 70 N -2.78 0.08 -0.24 1.61 -2.85 -1.26 -0.57 119.74 113.73 1ppx s LYS 70 Ca 0.10 0.43 -0.07 0.00 -1.00 0.00 0.00 55.97 55.43 1ppx s LYS 70 Cb 0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 35.55 1ppx s LYS 70 CO -0.04 -0.20 0.05 -1.17 0.10 0.00 0.00 175.35 174.10 1ppx s LEU 71 N 1.44 3.41 -0.23 2.77 2.96 0.33 -4.97 118.68 124.39 1ppx s LEU 71 Ca -0.06 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1ppx s LEU 71 Cb -0.12 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ppx s LEU 71 CO -0.06 -0.01 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.15 1ppx s GLU 72 N 1.47 2.13 0.01 1.98 2.12 -1.26 0.10 118.70 125.25 1ppx s GLU 72 Ca 0.06 -1.11 -0.02 0.00 0.36 0.00 0.00 54.97 54.26 1ppx s GLU 72 Cb -0.15 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 1ppx s GLU 72 CO 0.03 -0.51 0.01 -0.47 -0.54 0.00 0.00 175.26 173.78 1ppx s TYR 73 N 1.25 0.16 -0.02 5.30 5.04 -1.05 -5.01 117.35 123.02 1ppx s TYR 73 Ca -0.05 -0.34 0.08 0.00 -2.44 0.00 0.00 57.07 54.32 1ppx s TYR 73 Cb -0.18 -0.13 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 1ppx s TYR 73 CO -0.07 -0.17 -0.25 -1.83 -1.34 0.00 0.00 175.55 171.89 1ppx s GLU 74 N -1.16 2.00 0.30 4.97 -1.05 -1.26 -1.42 118.70 121.08 1ppx s GLU 74 Ca -0.13 -0.88 0.07 0.00 -0.15 0.00 0.00 54.97 53.88 1ppx s GLU 74 Cb -0.08 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1ppx s GLU 74 CO -0.00 0.53 0.28 -0.06 0.95 0.00 0.00 175.26 176.95 1ppx s PHE 75 N -0.57 3.04 -0.61 4.83 0.40 0.32 -4.91 117.98 120.49 1ppx s PHE 75 Ca 0.09 -0.20 -0.14 0.00 -0.60 0.00 0.00 56.93 56.08 1ppx s PHE 75 Cb -0.09 -1.65 -0.14 0.00 0.51 0.00 0.00 43.02 41.65 1ppx s PHE 75 CO -0.01 0.31 1.70 -0.35 0.70 0.00 0.00 175.22 177.57 1ppx n PRO 76 N -1.33 0.09 -0.61 0.24 -0.04 -1.26 0.66 135.00 132.75 1ppx n PRO 76 Ca -0.04 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1ppx n PRO 76 Cb 0.59 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ppx n ASP 77 N 12.08 -1.84 -3.56 3.54 8.00 -1.26 -5.02 116.55 128.49 1ppx n ASP 77 Ca 0.28 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.48 1ppx n ASP 77 Cb 0.44 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ppx s ARG 78 N -0.50 0.60 -0.55 -1.24 3.52 0.21 -3.54 118.95 117.45 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 0.03 0.00 -1.56 0.00 0.00 34.95 31.90 1ppx s ARG 78 CO 0.00 -1.13 1.17 -1.01 -0.81 0.00 0.00 175.30 173.52 1ppx s HIS 79 N 1.29 2.67 -0.38 5.12 3.76 -1.00 0.12 115.29 126.86 1ppx s HIS 79 Ca 0.15 0.47 -0.14 0.00 -0.15 0.00 0.00 55.06 55.39 1ppx s HIS 79 Cb -0.21 -4.47 0.01 0.00 1.11 0.00 0.00 32.58 29.02 1ppx s HIS 79 CO -0.12 -1.49 0.27 -1.50 -0.85 0.00 0.00 174.74 171.05 1ppx s ILE 80 N 4.78 5.20 -0.16 0.60 2.07 -0.50 0.40 121.20 133.59 1ppx s ILE 80 Ca 0.44 -0.54 -0.08 0.00 -1.41 0.00 0.00 60.65 59.06 1ppx s ILE 80 Cb -0.08 -3.83 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 1ppx s ILE 80 CO 0.27 -0.21 0.12 0.42 -1.91 0.00 0.00 174.94 173.63 1ppx s THR 81 N 1.68 5.34 -0.19 4.00 -4.23 -0.28 -2.54 115.64 119.43 1ppx s THR 81 Ca 0.05 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1ppx s THR 81 Cb -0.18 -3.37 0.04 0.00 1.34 0.00 0.00 72.50 70.32 1ppx s THR 81 CO 0.10 0.53 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.87 1ppx s LEU 82 N -0.34 2.05 -0.18 4.79 1.02 0.29 0.12 118.68 126.43 1ppx s LEU 82 Ca 0.11 -0.83 -0.01 0.00 0.02 0.00 0.00 54.13 53.43 1ppx s LEU 82 Cb -0.12 -1.10 0.00 0.00 0.02 0.00 0.00 46.19 44.99 1ppx s LEU 82 CO 0.01 -0.17 -0.14 0.26 0.02 0.00 0.00 176.35 176.34 1ppx s TRP 83 N 1.49 2.83 -0.27 0.29 0.51 0.12 0.12 118.94 124.03 1ppx s TRP 83 Ca -0.01 -1.16 -0.03 0.00 -2.12 0.00 0.00 56.10 52.78 1ppx s TRP 83 Cb -0.16 -1.95 0.03 0.00 -0.81 0.00 0.00 33.47 30.58 1ppx s TRP 83 CO -0.08 -0.57 -0.01 -0.06 -0.51 0.00 0.00 176.95 175.72 1ppx s PHE 84 N 1.09 3.14 0.13 -1.98 0.40 0.27 0.15 117.98 121.18 1ppx s PHE 84 Ca 0.00 -1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 54.73 1ppx s PHE 84 Cb -0.14 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 1ppx s PHE 84 CO -0.04 -0.72 0.40 -1.58 0.70 0.00 0.00 175.22 173.97 1ppx s TRP 85 N 1.34 3.50 -0.46 0.36 0.52 0.37 -1.71 118.94 122.86 1ppx s TRP 85 Ca -0.01 0.65 -0.11 0.00 0.02 0.00 0.00 56.10 56.65 1ppx s TRP 85 Cb -0.18 -2.07 0.10 0.00 -1.15 0.00 0.00 33.47 30.17 1ppx s TRP 85 CO -0.02 0.44 0.34 -1.17 0.02 0.00 0.00 176.95 176.56 1ppx s LEU 86 N -2.46 5.54 0.33 2.99 2.96 -0.21 -3.22 118.68 124.62 1ppx s LEU 86 Ca 0.39 -1.64 -0.24 0.00 -0.22 0.00 0.00 54.13 52.42 1ppx s LEU 86 Cb -0.12 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 1ppx s LEU 86 CO 0.22 -0.65 0.91 -0.69 -1.32 0.00 0.00 176.35 174.83 1ppx s VAL 87 N 1.46 4.31 -0.08 1.68 1.01 -1.14 -3.67 120.40 123.97 1ppx s VAL 87 Ca 0.04 1.66 0.05 0.00 0.00 0.00 0.00 61.98 63.73 1ppx s VAL 87 Cb -0.25 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1ppx s VAL 87 CO 0.02 0.04 -0.00 1.21 0.00 0.00 0.00 175.10 176.36 1ppx n GLU 88 N 0.29 2.12 -3.66 2.72 4.07 -1.17 -3.53 120.64 121.49 1ppx n GLU 88 Ca 0.03 0.01 -0.08 0.00 -0.06 0.00 0.00 57.16 57.05 1ppx n GLU 88 Cb 0.51 -1.19 -0.02 0.00 -0.06 0.00 0.00 31.44 30.68 1ppx n GLU 88 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1ppx s ARG 89 N -2.18 1.42 -0.15 5.31 0.52 0.13 -4.46 118.95 119.55 1ppx s ARG 89 Ca -0.06 -0.69 -0.09 0.00 -0.52 0.00 0.00 55.73 54.37 1ppx s ARG 89 Cb 0.02 0.55 0.05 0.00 0.52 0.00 0.00 34.95 36.09 1ppx s ARG 89 CO 0.28 -0.64 0.35 1.67 0.02 0.00 0.00 175.30 176.98 1ppx s TRP 90 N -3.68 -0.49 -0.05 -0.53 -2.14 -1.24 -1.14 118.94 109.66 1ppx s TRP 90 Ca 0.07 1.09 -0.15 0.00 2.66 0.00 0.00 56.10 59.77 1ppx s TRP 90 Cb -0.03 0.18 -0.05 0.00 -3.10 0.00 0.00 33.47 30.47 1ppx s TRP 90 CO -0.02 -0.29 0.40 -1.21 -2.66 0.00 0.00 176.95 173.17 1ppx s GLU 91 N 1.18 4.05 3.19 3.25 0.41 -1.13 -4.91 118.70 124.74 1ppx s GLU 91 Ca -0.08 0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 1ppx s GLU 91 Cb -0.08 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 1ppx s GLU 91 CO -0.10 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 1ppx n GLY 92 N 2.36 0.41 3.34 -1.39 0.00 -1.26 -4.21 105.19 104.45 1ppx n GLY 92 Ca -0.12 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1ppx n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppx s GLU 93 N 0.00 3.33 0.01 1.61 2.12 -1.26 -5.10 118.70 119.40 1ppx s GLU 93 Ca 0.00 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 1ppx s GLU 93 Cb 0.00 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 1ppx s GLU 93 CO 0.00 0.20 1.12 -2.14 -0.54 0.00 0.00 175.26 173.90 1ppx s PRO 94 N 0.36 4.45 0.20 4.30 0.02 -1.26 -4.73 135.00 138.34 1ppx s PRO 94 Ca -0.12 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1ppx s PRO 94 Cb -0.16 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1ppx s PRO 94 CO 0.06 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.83 1ppx n TRP 95 N 4.23 -1.57 0.00 6.54 4.27 -0.67 -5.01 117.44 125.23 1ppx n TRP 95 Ca 0.08 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1ppx n TRP 95 Cb 0.48 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.87 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 1.94 1.07 0.00 -1.67 0.00 0.93 -4.18 105.19 103.28 1ppx n GLY 96 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1ppx n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ppx n LYS 97 N 0.00 0.00 -0.19 1.61 4.76 0.35 -4.65 118.16 120.04 1ppx n LYS 97 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1ppx n LYS 97 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1ppx h GLU 98 N 0.00 0.96 0.00 1.97 -0.00 -1.73 -3.45 114.58 112.33 1ppx h GLU 98 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 1ppx h GLU 98 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 1ppx h GLU 98 CO 0.00 0.96 0.00 0.41 -0.00 0.00 0.00 179.01 180.38 1ppx n GLY 99 N -0.43 -1.11 3.62 1.06 0.00 -1.26 -4.94 105.19 102.14 1ppx n GLY 99 Ca 0.02 0.42 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 4.08 0.41 1.61 -0.21 -1.26 -5.04 119.66 119.25 1ppx s GLN 100 Ca 0.00 0.28 -0.22 0.00 0.02 0.00 0.00 55.36 55.44 1ppx s GLN 100 Cb 0.00 -3.64 -0.14 0.00 1.00 0.00 0.00 33.01 30.23 1ppx s GLN 100 CO 0.00 -0.31 0.35 -2.30 -2.12 0.00 0.00 175.29 170.92 1ppx n PRO 101 N 5.39 0.31 -4.41 2.91 -0.02 -1.26 -4.55 135.00 133.37 1ppx n PRO 101 Ca -0.05 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.32 1ppx n PRO 101 Cb 0.50 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.61 1ppx n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ppx s GLY 102 N -0.98 2.39 0.23 -1.23 0.00 -1.26 -3.89 107.32 102.59 1ppx s GLY 102 Ca 0.62 -1.59 0.11 0.00 0.00 0.00 0.00 44.72 43.86 1ppx s GLY 102 CO 0.60 -1.68 -0.21 -0.54 0.00 0.00 0.00 173.10 171.27 1ppx s GLU 103 N -3.67 1.58 -0.31 2.90 2.02 -1.26 -4.95 118.70 115.00 1ppx s GLU 103 Ca 0.31 -1.64 -0.27 0.00 0.02 0.00 0.00 54.97 53.39 1ppx s GLU 103 Cb 0.03 -1.76 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 1ppx s GLU 103 CO 0.19 0.35 2.27 -1.58 0.02 0.00 0.00 175.26 176.51 1ppx s TRP 104 N -2.14 1.15 0.23 1.61 0.51 -1.26 -4.06 118.94 114.98 1ppx s TRP 104 Ca 0.25 0.87 0.12 0.00 -2.12 0.00 0.00 56.10 55.21 1ppx s TRP 104 Cb -0.06 -3.82 -0.05 0.00 -0.81 0.00 0.00 33.47 28.73 1ppx s TRP 104 CO 0.12 -3.56 -0.22 -1.64 -0.51 0.00 0.00 176.95 171.14 1ppx s MET 105 N 6.95 1.58 -0.31 4.98 -1.94 -0.88 -4.95 119.30 124.73 1ppx s MET 105 Ca 0.99 -1.63 -0.28 0.00 -1.71 0.00 0.00 55.69 53.06 1ppx s MET 105 Cb -0.28 -1.79 0.01 0.00 2.01 0.00 0.00 34.83 34.78 1ppx s MET 105 CO 0.32 0.36 1.02 0.45 -0.01 0.00 0.00 175.02 177.17 1ppx s SER 106 N -3.03 6.90 0.46 3.03 0.15 -1.26 0.12 113.70 120.07 1ppx s SER 106 Ca 0.25 1.01 0.29 0.00 0.70 0.00 0.00 55.95 58.20 1ppx s SER 106 Cb -0.07 -2.52 1.07 0.00 -1.71 0.00 0.00 66.02 62.80 1ppx s SER 106 CO 0.12 -0.82 1.85 0.25 1.20 0.00 0.00 173.24 175.84 1ppx h LEU 107 N 9.93 0.00 -1.52 3.45 5.85 -1.81 -3.16 115.31 128.05 1ppx h LEU 107 Ca -0.21 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1ppx h LEU 107 Cb 1.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ppx h LEU 107 CO 1.00 0.00 0.54 0.58 -0.34 0.00 0.00 178.44 180.23 1ppx h VAL 108 N 0.00 0.06 -1.25 1.05 2.07 -1.91 -0.76 116.25 115.51 1ppx h VAL 108 Ca 0.00 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.07 1ppx h VAL 108 Cb 0.59 0.48 -0.41 0.00 -1.52 0.00 0.00 31.29 30.44 1ppx h VAL 108 CO 0.00 0.00 -1.02 0.61 0.02 0.00 0.00 177.57 177.18 1ppx n GLY 109 N -1.35 3.32 3.74 2.17 0.00 -1.19 -5.00 105.19 106.87 1ppx n GLY 109 Ca 0.01 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.26 3.59 -0.48 0.99 0.20 -0.30 -4.98 118.68 114.44 1ppx s LEU 110 Ca 0.36 2.53 -0.12 0.00 0.69 0.00 0.00 54.13 57.58 1ppx s LEU 110 Cb 0.43 -4.61 0.11 0.00 -0.43 0.00 0.00 46.19 41.69 1ppx s LEU 110 CO -0.05 -1.89 0.38 0.21 -0.29 0.00 0.00 176.35 174.72 1ppx s ASN 111 N -1.51 5.88 0.37 3.68 3.04 -1.26 -4.90 114.94 120.24 1ppx s ASN 111 Ca 0.80 -1.76 0.27 0.00 0.04 0.00 0.00 52.86 52.21 1ppx s ASN 111 Cb -0.35 -2.08 1.04 0.00 -1.54 0.00 0.00 41.25 38.32 1ppx s ASN 111 CO 0.38 -0.72 1.80 0.00 -3.04 0.00 0.00 177.10 175.52 1ppx h ALA 112 N 8.61 1.00 0.03 1.71 0.00 -1.93 -2.60 119.26 126.07 1ppx h ALA 112 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ppx h ALA 112 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ppx h ALA 112 CO 0.90 0.00 -0.17 0.22 0.00 0.00 0.00 179.25 180.20 1ppx h ASP 113 N 0.00 0.10 -0.17 0.00 1.82 -1.95 -3.35 116.42 112.88 1ppx h ASP 113 Ca 0.00 -0.97 -0.10 0.00 -0.39 0.00 0.00 57.03 55.58 1ppx h ASP 113 Cb 0.51 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 1ppx h ASP 113 CO 0.00 1.06 -0.20 0.44 -1.61 0.00 0.00 179.24 178.93 1ppx h ASP 114 N -0.84 0.60 -4.50 2.28 5.19 -1.90 -3.45 116.42 113.80 1ppx h ASP 114 Ca -0.03 -0.19 -0.47 0.00 -0.62 0.00 0.00 57.03 55.72 1ppx h ASP 114 Cb 1.11 -0.16 0.11 0.00 0.18 0.00 0.00 39.33 40.57 1ppx h ASP 114 CO 0.03 0.80 0.38 0.72 -3.12 0.00 0.00 179.24 178.05 1ppx s PHE 115 N -4.61 2.88 0.19 4.55 -0.71 -0.99 -3.44 117.98 115.85 1ppx s PHE 115 Ca -0.08 0.82 -0.33 0.00 -1.04 0.00 0.00 56.93 56.30 1ppx s PHE 115 Cb 0.14 -3.41 -0.14 0.00 -1.21 0.00 0.00 43.02 38.40 1ppx s PHE 115 CO 0.80 -1.85 1.50 -0.35 -1.34 0.00 0.00 175.22 173.97 1ppx n PRO 116 N -3.40 2.04 0.12 1.99 -0.04 -1.26 -4.87 135.00 129.57 1ppx n PRO 116 Ca 0.07 0.73 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 1ppx n PRO 116 Cb 0.60 -2.45 0.47 0.00 -0.04 0.00 0.00 33.50 32.08 1ppx n PRO 116 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ppx n PRO 117 N 2.83 0.17 0.00 0.54 -0.04 -1.26 -2.50 135.00 134.73 1ppx n PRO 117 Ca 0.15 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1ppx n PRO 117 Cb 0.29 -1.83 0.54 0.00 -0.04 0.00 0.00 33.50 32.46 1ppx n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ppx n ALA 118 N -1.74 2.15 -1.44 0.55 0.00 -1.26 -3.44 120.51 115.32 1ppx n ALA 118 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 118 Cb 0.21 -1.40 0.17 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.45 1.88 0.01 0.00 3.02 -1.04 -4.77 115.26 112.90 1ppx n ASN 119 Ca 0.07 -3.46 -0.16 0.00 -0.03 0.00 0.00 54.58 50.99 1ppx n ASN 119 Cb 0.27 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 1ppx n ASN 119 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1ppx h GLU 120 N 0.59 0.69 -0.96 3.52 4.11 -1.71 -3.18 114.58 117.65 1ppx h GLU 120 Ca -0.01 -0.60 0.29 0.00 0.07 0.00 0.00 59.36 59.11 1ppx h GLU 120 Cb 1.05 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 1ppx h GLU 120 CO 0.00 1.21 0.43 -1.35 0.07 0.00 0.00 179.01 179.37 1ppx h PRO 121 N 0.45 0.26 0.02 1.06 0.11 -1.87 1.69 132.00 133.72 1ppx h PRO 121 Ca -0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ppx h PRO 121 Cb 1.45 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1ppx h PRO 121 CO 0.16 0.17 -0.01 0.28 -0.21 0.00 0.00 178.00 178.40 1ppx h VAL 122 N 0.27 1.47 0.00 3.15 2.07 -1.95 -3.32 116.25 117.94 1ppx h VAL 122 Ca 0.66 -1.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1ppx h VAL 122 Cb 1.46 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1ppx h VAL 122 CO -0.64 0.46 -0.27 0.40 0.02 0.00 0.00 177.57 177.55 1ppx h ILE 123 N -0.89 1.18 -0.56 4.57 1.08 -1.31 -2.35 117.51 119.22 1ppx h ILE 123 Ca -0.00 -0.92 0.12 0.00 -0.39 0.00 0.00 64.86 63.67 1ppx h ILE 123 Cb 0.77 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 1ppx h ILE 123 CO 0.00 0.26 0.39 0.00 -0.69 0.00 0.00 178.15 178.11 1ppx h ALA 124 N 1.73 2.20 -0.04 1.87 0.00 0.24 1.61 119.26 126.88 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 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ppx h ALA 124 CO 0.03 -0.35 -0.07 0.87 0.00 0.00 0.00 179.25 179.73 1ppx h LYS 125 N 0.24 0.13 0.01 0.00 1.79 -1.53 -3.16 116.57 114.05 1ppx h LYS 125 Ca 0.27 -0.08 -0.20 0.00 -2.18 0.00 0.00 60.65 58.46 1ppx h LYS 125 Cb 0.73 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1ppx h LYS 125 CO -0.05 0.64 -0.94 1.25 -1.08 0.00 0.00 179.45 179.27 1ppx h LEU 126 N -0.38 0.07 -0.81 2.94 6.46 -1.37 -3.29 115.31 118.94 1ppx h LEU 126 Ca 0.00 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1ppx h LEU 126 Cb 0.64 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.47 1ppx h LEU 126 CO 0.02 0.97 0.45 0.50 -0.62 0.00 0.00 178.44 179.76 1ppx h LYS 127 N 0.02 0.73 0.00 1.25 3.64 0.23 0.76 116.57 123.20 1ppx h LYS 127 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ppx h LYS 127 Cb 1.64 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1ppx h LYS 127 CO 0.13 0.48 0.00 -2.13 -2.27 0.00 0.00 179.45 175.66 1ppx n ARG 128 N -4.77 0.00 -0.34 1.90 0.63 -1.19 -5.00 116.66 107.89 1ppx n ARG 128 Ca 0.13 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1ppx n ARG 128 Cb 0.29 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40