#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 4.20 -0.05 2.12 2.20 -0.79 -5.03 119.74 122.38 1ppx s LYS 2 Ca 0.00 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1ppx s LYS 2 Cb 0.00 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1ppx s LYS 2 CO 0.00 0.08 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.35 1ppx s LYS 3 N 0.94 1.67 -0.03 4.03 -2.85 -1.26 -0.38 119.74 121.86 1ppx s LYS 3 Ca 0.17 -0.48 -0.01 0.00 -1.00 0.00 0.00 55.97 54.65 1ppx s LYS 3 Cb -0.14 -1.41 0.03 0.00 -2.06 0.00 0.00 37.83 34.25 1ppx s LYS 3 CO 0.06 0.12 0.06 -0.48 0.10 0.00 0.00 175.35 175.21 1ppx s LEU 4 N 0.38 0.95 0.05 2.77 0.05 0.23 -4.91 118.68 118.20 1ppx s LEU 4 Ca -0.10 0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.20 1ppx s LEU 4 Cb -0.13 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.01 1ppx s LEU 4 CO 0.03 -0.14 0.14 -1.10 -0.55 0.00 0.00 176.35 174.73 1ppx s GLN 5 N 1.14 3.17 -0.02 1.48 -0.21 -1.26 -1.99 119.66 121.96 1ppx s GLN 5 Ca -0.09 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1ppx s GLN 5 Cb -0.13 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 31.00 1ppx s GLN 5 CO -0.04 0.61 -0.04 0.42 -2.12 0.00 0.00 175.29 174.12 1ppx s ILE 6 N -1.40 0.43 -0.11 1.08 -1.09 0.43 -3.73 121.20 116.81 1ppx s ILE 6 Ca 0.30 -0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1ppx s ILE 6 Cb -0.12 -0.43 0.01 0.00 -1.58 0.00 0.00 42.46 40.34 1ppx s ILE 6 CO 0.23 0.17 -0.16 0.00 -1.23 0.00 0.00 174.94 173.95 1ppx s ALA 7 N 0.48 1.73 0.11 9.38 0.00 -0.85 -0.93 121.76 131.68 1ppx s ALA 7 Ca -0.06 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1ppx s ALA 7 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ppx s ALA 7 CO -0.00 -0.09 -0.11 0.54 0.00 0.00 0.00 175.76 176.10 1ppx s VAL 8 N 1.00 1.10 -0.05 0.00 0.11 0.36 -3.75 120.40 119.17 1ppx s VAL 8 Ca -0.06 -1.72 -0.04 0.00 -2.93 0.00 0.00 61.98 57.23 1ppx s VAL 8 Cb -0.15 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.24 1ppx s VAL 8 CO -0.02 -0.54 0.14 -0.83 -3.33 0.00 0.00 175.10 170.52 1ppx s GLY 9 N -2.54 -0.08 -0.83 6.54 0.00 -1.24 0.12 107.32 109.29 1ppx s GLY 9 Ca 0.08 0.45 -0.22 0.00 0.00 0.00 0.00 44.72 45.03 1ppx s GLY 9 CO 0.01 0.50 1.16 -0.26 0.00 0.00 0.00 173.10 174.51 1ppx s ILE 10 N 0.36 4.28 -0.16 0.90 -4.36 -0.92 -4.60 121.20 116.70 1ppx s ILE 10 Ca -0.02 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.35 1ppx s ILE 10 Cb -0.04 -4.83 -0.03 0.00 1.25 0.00 0.00 42.46 38.82 1ppx s ILE 10 CO -0.01 -1.63 1.46 -0.63 0.24 0.00 0.00 174.94 174.36 1ppx s ILE 11 N 4.05 3.93 -0.08 8.37 1.01 -1.26 -3.27 121.20 133.95 1ppx s ILE 11 Ca 0.32 1.10 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 1ppx s ILE 11 Cb -0.08 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1ppx s ILE 11 CO 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 174.94 174.83 1ppx s ARG 12 N 4.00 3.18 0.20 2.79 1.70 -1.25 -0.17 118.95 129.39 1ppx s ARG 12 Ca 0.64 -0.31 0.02 0.00 -0.47 0.00 0.00 55.73 55.61 1ppx s ARG 12 Cb -0.25 -2.97 0.02 0.00 -0.57 0.00 0.00 34.95 31.18 1ppx s ARG 12 CO 0.23 0.72 0.14 0.27 -1.08 0.00 0.00 175.30 175.59 1ppx n ASN 13 N 1.90 1.66 -0.31 -2.89 6.94 0.29 -2.94 115.26 119.91 1ppx n ASN 13 Ca -0.18 -1.69 0.35 0.00 -0.02 0.00 0.00 54.58 53.04 1ppx n ASN 13 Cb 0.54 -0.01 0.71 0.00 -2.36 0.00 0.00 39.78 38.66 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 -0.91 -3.83 4.81 -1.91 0.29 114.58 113.03 1ppx h GLU 14 Ca -0.13 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.88 1ppx h GLU 14 Cb 0.46 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.71 1ppx h GLU 14 CO 0.20 0.00 0.28 -1.71 -0.73 0.00 0.00 179.01 177.05 1ppx n ASN 15 N -3.90 3.65 -1.94 1.04 5.15 -1.26 -4.85 115.26 113.15 1ppx n ASN 15 Ca 0.26 -2.88 -0.06 0.00 -0.60 0.00 0.00 54.58 51.30 1ppx n ASN 15 Cb 1.35 -0.68 -0.01 0.00 -0.53 0.00 0.00 39.78 39.90 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1ppx n ASN 16 N -0.23 -2.12 -4.62 1.20 6.94 0.10 -4.89 115.26 111.64 1ppx n ASN 16 Ca 0.31 0.27 -0.23 0.00 -0.02 0.00 0.00 54.58 54.91 1ppx n ASN 16 Cb 1.12 -2.02 -0.08 0.00 -2.36 0.00 0.00 39.78 36.44 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ppx s GLU 17 N -3.99 2.19 -0.09 -3.83 -1.05 -1.24 -4.62 118.70 106.07 1ppx s GLU 17 Ca 0.00 -1.48 0.01 0.00 -0.15 0.00 0.00 54.97 53.34 1ppx s GLU 17 Cb 0.00 -2.09 -0.02 0.00 -0.44 0.00 0.00 34.13 31.57 1ppx s GLU 17 CO 0.00 0.35 -0.10 -1.50 0.95 0.00 0.00 175.26 174.96 1ppx s ILE 18 N -2.36 3.39 -0.57 1.83 -1.16 0.22 0.10 121.20 122.66 1ppx s ILE 18 Ca 0.31 -0.57 -0.21 0.00 -0.51 0.00 0.00 60.65 59.67 1ppx s ILE 18 Cb -0.06 -2.40 0.07 0.00 0.61 0.00 0.00 42.46 40.68 1ppx s ILE 18 CO 0.19 0.56 0.79 0.12 -2.81 0.00 0.00 174.94 173.80 1ppx s PHE 19 N -0.32 2.89 0.04 3.50 2.19 0.76 -1.44 117.98 125.60 1ppx s PHE 19 Ca 0.04 -0.50 0.02 0.00 0.33 0.00 0.00 56.93 56.82 1ppx s PHE 19 Cb -0.13 -3.93 -0.04 0.00 -1.31 0.00 0.00 43.02 37.62 1ppx s PHE 19 CO 0.02 -1.30 0.04 0.96 1.83 0.00 0.00 175.22 176.78 1ppx s ILE 20 N 3.29 4.36 -0.42 3.12 -4.36 -1.24 -4.48 121.20 121.47 1ppx s ILE 20 Ca 0.20 -0.69 -0.23 0.00 -0.26 0.00 0.00 60.65 59.67 1ppx s ILE 20 Cb -0.18 -3.03 0.02 0.00 1.25 0.00 0.00 42.46 40.52 1ppx s ILE 20 CO 0.12 0.24 0.76 0.42 0.24 0.00 0.00 174.94 176.72 1ppx s THR 21 N -1.25 4.71 0.44 8.37 -4.23 -0.43 -3.71 115.64 119.54 1ppx s THR 21 Ca 0.25 0.53 0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1ppx s THR 21 Cb -0.12 -4.26 -0.03 0.00 1.34 0.00 0.00 72.50 69.43 1ppx s THR 21 CO 0.16 -0.59 0.20 0.00 -0.54 0.00 0.00 174.62 173.85 1ppx s ARG 22 N 3.14 2.23 -0.87 3.99 1.70 -1.13 -1.51 118.95 126.49 1ppx s ARG 22 Ca 0.29 -1.93 -0.07 0.00 -0.47 0.00 0.00 55.73 53.55 1ppx s ARG 22 Cb -0.13 -1.95 -0.10 0.00 -0.57 0.00 0.00 34.95 32.20 1ppx s ARG 22 CO 0.20 -0.22 2.56 0.54 -1.08 0.00 0.00 175.30 177.30 1ppx n ARG 23 N -1.32 2.40 0.00 3.89 5.12 -1.26 -4.14 116.66 121.34 1ppx n ARG 23 Ca -0.03 -1.48 0.00 0.00 -1.93 0.00 0.00 57.85 54.41 1ppx n ARG 23 Cb 0.65 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 1ppx n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ppx n ALA 24 N 3.59 0.00 -2.38 7.54 0.00 -1.26 -4.30 120.51 123.69 1ppx n ALA 24 Ca 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1ppx n ALA 24 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.78 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx n ALA 25 N 0.18 4.42 0.00 0.00 0.00 -1.26 -4.76 120.51 119.09 1ppx n ALA 25 Ca 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1ppx n ALA 25 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.54 0.00 -3.98 0.00 5.75 -1.26 -5.14 116.55 111.39 1ppx n ASP 26 Ca 0.32 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.82 1ppx n ASP 26 Cb 0.83 0.14 0.17 0.00 -1.03 0.00 0.00 41.12 41.22 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ppx n ALA 27 N -1.91 -3.15 -1.22 2.12 0.00 -1.26 -4.88 120.51 110.20 1ppx n ALA 27 Ca 0.00 -1.26 -0.25 0.00 0.00 0.00 0.00 53.44 51.93 1ppx n ALA 27 Cb 0.00 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.33 1ppx n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ppx n HIS 28 N -4.51 3.07 -2.78 0.00 -0.00 -1.26 -4.26 115.22 105.48 1ppx n HIS 28 Ca 0.03 -1.92 0.00 0.00 0.46 0.00 0.00 57.72 56.30 1ppx n HIS 28 Cb 0.54 -0.98 0.05 0.00 -0.12 0.00 0.00 29.99 29.47 1ppx n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1ppx n MET 29 N -1.12 1.44 0.00 1.57 2.81 -1.26 -4.89 117.12 115.67 1ppx n MET 29 Ca 0.60 -3.18 0.03 0.00 -1.81 0.00 0.00 57.70 53.34 1ppx n MET 29 Cb 1.60 -1.28 0.16 0.00 -0.71 0.00 0.00 33.22 32.99 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 -0.46 1.37 0.79 3.04 0.00 -1.26 -2.29 120.51 121.70 1ppx n ALA 30 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1ppx n ALA 30 Cb 0.86 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 19.29 1ppx n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ppx n ASN 31 N -1.44 1.84 -0.87 0.00 0.23 -1.22 -3.68 115.26 110.11 1ppx n ASN 31 Ca 0.02 -2.16 0.02 0.00 -0.53 0.00 0.00 54.58 51.93 1ppx n ASN 31 Cb 0.07 -0.42 0.21 0.00 -2.08 0.00 0.00 39.78 37.56 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 0.13 1.99 -1.51 -3.83 5.02 -0.66 -2.27 118.16 117.03 1ppx n LYS 32 Ca 0.07 -3.04 -0.13 0.00 -2.02 0.00 0.00 58.31 53.19 1ppx n LYS 32 Cb 0.39 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ppx n LEU 33 N -1.02 0.92 0.00 -0.35 0.00 0.76 -4.33 117.00 112.99 1ppx n LEU 33 Ca 0.26 -1.66 -0.02 0.00 0.00 0.00 0.00 56.01 54.58 1ppx n LEU 33 Cb 0.90 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.87 1ppx n LEU 33 CO 0.13 -2.72 0.02 1.21 0.00 0.00 0.00 177.39 176.02 1ppx n GLU 34 N 7.83 1.28 -4.55 1.96 2.13 -0.57 -4.15 120.64 124.56 1ppx n GLU 34 Ca 0.44 -0.33 -0.26 0.00 0.66 0.00 0.00 57.16 57.67 1ppx n GLU 34 Cb 0.41 0.02 -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 -0.06 -0.41 0.00 0.00 177.13 176.66 1ppx s PHE 35 N 0.01 2.43 0.96 4.31 0.40 -1.26 -1.32 117.98 123.52 1ppx s PHE 35 Ca 0.04 -0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 1ppx s PHE 35 Cb -0.00 -1.47 0.17 0.00 0.51 0.00 0.00 43.02 42.22 1ppx s PHE 35 CO 0.03 0.55 1.10 -1.25 0.70 0.00 0.00 175.22 176.35 1ppx s PRO 36 N -3.63 0.73 0.00 0.24 0.04 -1.26 -4.82 135.00 126.29 1ppx s PRO 36 Ca 0.33 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1ppx s PRO 36 Cb 0.04 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ppx s PRO 36 CO 0.17 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.09 1ppx n GLY 37 N -1.36 0.80 2.95 0.56 0.00 -1.25 -3.63 105.19 103.27 1ppx n GLY 37 Ca 0.06 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.60 0.95 0.00 -0.02 0.00 -1.26 -2.00 107.32 103.39 1ppx s GLY 38 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1ppx s GLY 38 CO 0.00 0.69 0.00 1.17 0.00 0.00 0.00 173.10 174.96 1ppx n LYS 39 N 4.87 0.00 -0.25 2.90 4.81 -1.26 -5.02 118.16 124.21 1ppx n LYS 39 Ca -0.14 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.23 1ppx n LYS 39 Cb 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 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 -0.10 -0.40 0.00 3.15 3.06 -1.26 -3.14 119.36 120.68 1ppx n ILE 40 Ca 0.00 1.87 0.00 0.00 -2.50 0.00 0.00 62.75 62.12 1ppx n ILE 40 Cb 0.00 -2.36 0.00 0.00 0.54 0.00 0.00 39.64 37.82 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 -4.35 0.00 0.00 9.51 0.28 -1.24 -4.32 120.64 120.51 1ppx n GLU 41 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1ppx n GLU 41 Cb 0.15 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.02 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 -0.34 0.00 -0.31 3.44 2.81 -1.19 -3.19 117.12 118.35 1ppx n MET 42 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1ppx n MET 42 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1ppx n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ppx n GLY 43 N 0.00 0.25 0.00 3.03 0.00 -1.26 -5.14 105.19 102.07 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 1.21 -4.08 1.61 4.71 -1.19 -5.09 120.64 117.82 1ppx n GLU 44 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.87 1ppx n GLU 44 Cb 0.24 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.62 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 0.06 4.52 0.61 2.62 2.01 -1.26 -4.78 115.64 119.41 1ppx s THR 45 Ca 0.00 -1.11 0.26 0.00 0.31 0.00 0.00 61.69 61.15 1ppx s THR 45 Cb 0.00 -3.33 0.36 0.00 0.01 0.00 0.00 72.50 69.55 1ppx s THR 45 CO 0.00 -0.14 1.48 1.55 -0.69 0.00 0.00 174.62 176.82 1ppx h PRO 46 N 2.27 0.00 0.00 4.92 0.13 -1.98 1.62 132.00 138.95 1ppx h PRO 46 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 1ppx h PRO 46 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1ppx h PRO 46 CO 0.63 0.00 -2.56 0.39 -0.23 0.00 0.00 178.00 176.23 1ppx n GLU 47 N -3.31 0.59 0.00 0.86 -0.58 -1.26 -4.46 120.64 112.48 1ppx n GLU 47 Ca 0.17 0.26 0.15 0.00 -0.42 0.00 0.00 57.16 57.31 1ppx n GLU 47 Cb 1.21 -1.49 0.78 0.00 -0.57 0.00 0.00 31.44 31.37 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 -4.21 0.56 0.30 3.49 6.02 -0.56 -3.39 117.38 119.60 1ppx n GLN 48 Ca -0.55 -0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.27 1ppx n GLN 48 Cb 0.89 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 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 3.55 -0.79 0.17 -1.58 0.00 0.21 -2.77 119.26 118.06 1ppx h ALA 49 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 1ppx h ALA 49 Cb 0.24 0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ppx h ALA 49 CO 0.00 -0.83 -1.24 -0.24 0.00 0.00 0.00 179.25 176.94 1ppx h VAL 50 N -1.02 1.32 -0.99 0.00 3.04 -1.79 -3.15 116.25 113.66 1ppx h VAL 50 Ca -0.08 -2.54 0.25 0.00 -1.01 0.00 0.00 66.70 63.32 1ppx h VAL 50 Cb 0.66 2.89 -0.08 0.00 -2.01 0.00 0.00 31.29 32.75 1ppx h VAL 50 CO 0.13 0.76 0.65 0.58 -1.01 0.00 0.00 177.57 178.68 1ppx h VAL 51 N 0.12 0.58 0.03 1.51 2.07 -1.66 1.31 116.25 120.21 1ppx h VAL 51 Ca -0.20 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ppx h VAL 51 Cb 1.94 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1ppx h VAL 51 CO 0.24 0.07 -0.01 0.03 0.02 0.00 0.00 177.57 177.91 1ppx h ARG 52 N 0.36 -0.04 0.00 1.57 -0.00 -1.56 -3.28 114.38 111.44 1ppx h ARG 52 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.02 1ppx h ARG 52 Cb 1.43 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.41 1ppx h ARG 52 CO -0.22 0.66 0.00 0.93 0.00 0.00 0.00 179.97 181.34 1ppx h GLU 53 N -0.91 0.00 -0.64 0.04 4.39 -1.29 -2.90 114.58 113.28 1ppx h GLU 53 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1ppx h GLU 53 Cb 0.71 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1ppx h GLU 53 CO 0.01 0.00 0.34 1.25 -1.16 0.00 0.00 179.01 179.45 1ppx h LEU 54 N 0.00 0.50 -1.68 1.33 5.85 0.16 0.16 115.31 121.63 1ppx h LEU 54 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ppx h LEU 54 Cb 0.37 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1ppx h LEU 54 CO 0.00 0.32 -0.19 1.56 -0.34 0.00 0.00 178.44 179.80 1ppx h GLN 55 N 0.63 0.00 0.00 1.25 1.08 -1.63 0.18 115.11 116.62 1ppx h GLN 55 Ca 0.29 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.38 1ppx h GLN 55 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1ppx h GLN 55 CO -0.19 0.19 -0.52 1.49 -0.95 0.00 0.00 178.83 178.85 1ppx h GLU 56 N 0.00 0.00 -0.29 1.46 4.22 -0.82 0.14 114.58 119.28 1ppx h GLU 56 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ppx h GLU 56 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ppx h GLU 56 CO 0.02 0.52 0.00 -1.91 -2.18 0.00 0.00 179.01 175.46 1ppx n GLU 57 N -3.45 2.21 0.00 1.92 4.07 -0.33 0.15 120.64 125.21 1ppx n GLU 57 Ca 0.00 -1.88 0.00 0.00 -0.06 0.00 0.00 57.16 55.22 1ppx n GLU 57 Cb 0.64 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1ppx n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ppx n VAL 58 N 0.72 0.00 -0.76 6.31 0.31 -0.03 -3.80 118.33 121.09 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 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 2.27 0.00 0.00 2.92 0.00 0.47 -0.50 105.19 110.35 1ppx n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.71 0.00 -3.73 -0.61 -5.35 -1.26 -4.82 119.36 101.87 1ppx n ILE 60 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 1ppx n ILE 60 Cb 0.32 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 1ppx n ILE 60 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ppx s THR 61 N -0.41 3.70 -0.10 7.28 -1.32 -1.26 -4.95 115.64 118.57 1ppx s THR 61 Ca 0.00 -3.25 0.01 0.00 -1.21 0.00 0.00 61.69 57.24 1ppx s THR 61 Cb 0.00 -3.40 -0.02 0.00 -1.51 0.00 0.00 72.50 67.57 1ppx s THR 61 CO 0.00 -0.92 -0.12 -2.16 -2.21 0.00 0.00 174.62 169.21 1ppx s PRO 62 N -0.42 3.11 -1.23 7.08 0.04 -1.26 -1.22 135.00 141.11 1ppx s PRO 62 Ca 0.19 -0.67 -0.20 0.00 0.04 0.00 0.00 61.00 60.36 1ppx s PRO 62 Cb -0.17 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1ppx s PRO 62 CO -0.05 0.37 1.86 0.00 0.04 0.00 0.00 177.00 179.21 1ppx n GLN 63 N 3.08 2.36 -4.64 4.56 10.64 -0.42 -4.84 117.38 128.12 1ppx n GLN 63 Ca -0.18 -2.81 -0.33 0.00 -1.83 0.00 0.00 57.00 51.85 1ppx n GLN 63 Cb 0.53 -3.58 -0.13 0.00 -0.86 0.00 0.00 30.24 26.19 1ppx n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1ppx s HIS 64 N 7.46 2.89 0.00 2.61 2.46 -1.26 -1.41 115.29 128.04 1ppx s HIS 64 Ca 0.61 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.63 1ppx s HIS 64 Cb 0.03 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.59 1ppx s HIS 64 CO 0.10 -0.14 0.00 0.34 -2.47 0.00 0.00 174.74 172.57 1ppx n PHE 65 N 3.52 0.00 -1.10 3.88 7.35 -1.21 -4.95 117.46 124.95 1ppx n PHE 65 Ca -0.18 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.63 1ppx n PHE 65 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.31 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 -5.66 -3.78 -2.13 2.88 -1.24 -1.48 113.62 102.21 1ppx n SER 66 Ca 0.00 0.63 -0.29 0.00 -1.33 0.00 0.00 58.87 57.88 1ppx n SER 66 Cb 0.00 -3.52 -0.16 0.00 -0.75 0.00 0.00 64.21 59.79 1ppx n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ppx s LEU 67 N -5.64 1.99 0.05 2.46 0.20 -1.26 -1.77 118.68 114.71 1ppx s LEU 67 Ca 0.00 -1.26 -0.16 0.00 0.69 0.00 0.00 54.13 53.40 1ppx s LEU 67 Cb 0.00 -0.85 -0.25 0.00 -0.43 0.00 0.00 46.19 44.65 1ppx s LEU 67 CO 0.00 -0.34 1.13 0.15 -0.29 0.00 0.00 176.35 177.01 1ppx h PHE 68 N 8.11 0.94 -1.87 5.38 3.04 -1.51 -3.43 116.94 127.60 1ppx h PHE 68 Ca -0.15 -0.54 0.18 0.00 3.98 0.00 0.00 57.97 61.44 1ppx h PHE 68 Cb 1.06 -0.10 -0.17 0.00 2.56 0.00 0.00 35.95 39.31 1ppx h PHE 68 CO 0.36 1.38 0.65 -2.00 -2.02 0.00 0.00 178.31 176.69 1ppx s GLU 69 N -3.16 0.56 -0.06 1.11 2.12 0.14 -5.00 118.70 114.40 1ppx s GLU 69 Ca -0.10 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1ppx s GLU 69 Cb 0.06 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1ppx s GLU 69 CO 0.90 -0.24 0.13 -1.59 -0.54 0.00 0.00 175.26 173.92 1ppx s LYS 70 N -2.74 0.09 -0.10 4.30 -2.85 -1.26 0.12 119.74 117.30 1ppx s LYS 70 Ca 0.07 0.32 0.03 0.00 -1.00 0.00 0.00 55.97 55.39 1ppx s LYS 70 Cb -0.01 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.63 1ppx s LYS 70 CO -0.07 -0.13 -0.20 -1.17 0.10 0.00 0.00 175.35 173.87 1ppx s LEU 71 N 0.93 1.96 -0.21 2.77 2.96 0.28 -4.94 118.68 122.43 1ppx s LEU 71 Ca -0.07 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1ppx s LEU 71 Cb -0.09 -1.26 0.06 0.00 0.50 0.00 0.00 46.19 45.40 1ppx s LEU 71 CO -0.04 0.11 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.37 1ppx s GLU 72 N 0.53 1.25 -0.24 1.98 2.56 -1.26 0.30 118.70 123.81 1ppx s GLU 72 Ca -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 54.97 54.06 1ppx s GLU 72 Cb -0.17 -2.33 0.08 0.00 2.00 0.00 0.00 34.13 33.71 1ppx s GLU 72 CO 0.06 -0.59 0.10 1.52 -0.56 0.00 0.00 175.26 175.79 1ppx s TYR 73 N 1.60 0.51 -0.14 5.30 1.13 -1.03 -5.03 117.35 119.69 1ppx s TYR 73 Ca -0.03 -0.78 -0.21 0.00 -1.41 0.00 0.00 57.07 54.63 1ppx s TYR 73 Cb -0.18 -0.93 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 1ppx s TYR 73 CO -0.07 -0.70 0.64 -1.83 -2.51 0.00 0.00 175.55 171.07 1ppx s GLU 74 N 2.03 4.31 0.85 -3.49 -1.05 -1.26 -3.41 118.70 116.69 1ppx s GLU 74 Ca 0.06 0.70 -0.11 0.00 -0.15 0.00 0.00 54.97 55.46 1ppx s GLU 74 Cb -0.16 -3.51 0.10 0.00 -0.44 0.00 0.00 34.13 30.12 1ppx s GLU 74 CO -0.23 -0.08 1.09 -0.06 0.95 0.00 0.00 175.26 176.93 1ppx s PHE 75 N 1.36 2.42 0.54 4.83 0.40 0.25 -4.84 117.98 122.95 1ppx s PHE 75 Ca 0.32 1.34 0.41 0.00 -0.60 0.00 0.00 56.93 58.39 1ppx s PHE 75 Cb -0.16 -3.12 1.40 0.00 0.51 0.00 0.00 43.02 41.64 1ppx s PHE 75 CO 0.13 -2.18 1.39 -0.35 0.70 0.00 0.00 175.22 174.91 1ppx n PRO 76 N -3.75 0.00 0.00 0.24 -0.04 -1.26 -2.87 135.00 127.33 1ppx n PRO 76 Ca 0.08 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1ppx n PRO 76 Cb 0.55 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1ppx n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ppx n ASP 77 N -3.60 0.00 -4.38 3.54 5.68 -1.26 -4.95 116.55 111.58 1ppx n ASP 77 Ca 0.36 0.00 -0.45 0.00 -0.50 0.00 0.00 54.79 54.20 1ppx n ASP 77 Cb 1.77 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 41.71 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1ppx s ARG 78 N -1.00 3.16 -0.72 0.11 3.52 -1.14 -1.89 118.95 121.00 1ppx s ARG 78 Ca 0.00 -1.45 -0.27 0.00 -0.13 0.00 0.00 55.73 53.88 1ppx s ARG 78 Cb 0.00 -4.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.06 1ppx s ARG 78 CO 0.00 -1.57 1.34 -1.01 -0.81 0.00 0.00 175.30 173.25 1ppx s HIS 79 N 2.55 2.23 -0.17 5.12 3.76 0.49 0.87 115.29 130.14 1ppx s HIS 79 Ca 0.15 0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 55.05 1ppx s HIS 79 Cb -0.20 -4.57 -0.04 0.00 1.11 0.00 0.00 32.58 28.88 1ppx s HIS 79 CO 0.03 -2.09 0.05 -1.50 -0.85 0.00 0.00 174.74 170.38 1ppx s ILE 80 N 6.05 4.65 -0.08 0.60 2.07 -1.22 0.76 121.20 134.03 1ppx s ILE 80 Ca 0.39 -0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.58 1ppx s ILE 80 Cb -0.08 -3.08 -0.00 0.00 0.13 0.00 0.00 42.46 39.43 1ppx s ILE 80 CO 0.16 0.48 -0.22 0.42 -1.91 0.00 0.00 174.94 173.86 1ppx s THR 81 N 0.24 1.91 -0.19 4.00 -4.23 -0.84 -2.46 115.64 114.06 1ppx s THR 81 Ca 0.03 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1ppx s THR 81 Cb -0.13 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.12 1ppx s THR 81 CO 0.01 0.53 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.78 1ppx s LEU 82 N 0.20 2.04 -0.22 4.79 1.43 0.15 0.16 118.68 127.23 1ppx s LEU 82 Ca -0.13 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1ppx s LEU 82 Cb -0.16 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1ppx s LEU 82 CO 0.06 -0.17 0.03 0.26 0.23 0.00 0.00 176.35 176.76 1ppx s TRP 83 N 1.49 3.06 -0.41 0.29 0.52 -0.11 1.00 118.94 124.77 1ppx s TRP 83 Ca -0.01 -0.46 -0.14 0.00 0.02 0.00 0.00 56.10 55.50 1ppx s TRP 83 Cb -0.16 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1ppx s TRP 83 CO -0.08 -0.30 0.30 -0.06 0.02 0.00 0.00 176.95 176.83 1ppx s PHE 84 N 1.26 3.24 0.10 -1.98 0.40 0.32 0.14 117.98 121.47 1ppx s PHE 84 Ca 0.04 -0.68 -0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1ppx s PHE 84 Cb -0.15 -2.62 -0.05 0.00 0.51 0.00 0.00 43.02 40.71 1ppx s PHE 84 CO 0.02 -0.62 0.34 -1.58 0.70 0.00 0.00 175.22 174.08 1ppx s TRP 85 N 1.66 3.51 -0.57 0.36 0.52 0.33 -0.68 118.94 124.05 1ppx s TRP 85 Ca 0.04 0.54 -0.21 0.00 0.02 0.00 0.00 56.10 56.49 1ppx s TRP 85 Cb -0.19 -1.99 0.07 0.00 -1.15 0.00 0.00 33.47 30.21 1ppx s TRP 85 CO 0.09 0.49 0.81 -1.17 0.02 0.00 0.00 176.95 177.19 1ppx s LEU 86 N -2.41 4.69 0.15 2.99 1.98 -0.55 -2.16 118.68 123.37 1ppx s LEU 86 Ca 0.37 -0.90 -0.14 0.00 -2.89 0.00 0.00 54.13 50.57 1ppx s LEU 86 Cb -0.13 -2.50 -0.07 0.00 0.66 0.00 0.00 46.19 44.16 1ppx s LEU 86 CO 0.23 -1.16 0.54 -0.69 -1.89 0.00 0.00 176.35 173.38 1ppx s VAL 87 N 3.33 4.87 -0.04 1.68 1.01 -1.20 -3.36 120.40 126.70 1ppx s VAL 87 Ca 0.20 0.79 0.06 0.00 0.00 0.00 0.00 61.98 63.02 1ppx s VAL 87 Cb -0.18 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1ppx s VAL 87 CO 0.12 0.22 0.08 -0.62 0.00 0.00 0.00 175.10 174.90 1ppx n GLU 88 N 0.74 1.70 -3.66 2.72 -0.58 -0.50 -3.95 120.64 117.10 1ppx n GLU 88 Ca -0.05 -0.03 -0.07 0.00 -0.42 0.00 0.00 57.16 56.59 1ppx n GLU 88 Cb 0.52 -1.16 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1ppx s ARG 89 N -2.30 1.30 -0.25 3.49 3.52 -0.97 -4.51 118.95 119.23 1ppx s ARG 89 Ca -0.03 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.82 1ppx s ARG 89 Cb 0.03 0.50 0.10 0.00 -1.56 0.00 0.00 34.95 34.01 1ppx s ARG 89 CO 0.27 -0.59 0.58 1.67 -0.81 0.00 0.00 175.30 176.42 1ppx s TRP 90 N -3.53 -1.04 -0.28 5.12 -2.14 -1.25 -1.30 118.94 114.52 1ppx s TRP 90 Ca 0.08 1.95 -0.29 0.00 2.66 0.00 0.00 56.10 60.51 1ppx s TRP 90 Cb -0.02 0.57 0.01 0.00 -3.10 0.00 0.00 33.47 30.93 1ppx s TRP 90 CO -0.02 -0.54 1.06 -2.00 -2.66 0.00 0.00 176.95 172.79 1ppx s GLU 91 N 2.24 4.15 3.57 3.25 2.56 -0.35 -4.75 118.70 129.37 1ppx s GLU 91 Ca -0.07 1.19 0.00 0.00 0.00 0.00 0.00 54.97 56.10 1ppx s GLU 91 Cb -0.09 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1ppx s GLU 91 CO -0.17 -0.78 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 1ppx n GLY 92 N 3.63 1.25 3.08 -1.50 0.00 -1.26 -4.16 105.19 106.23 1ppx n GLY 92 Ca 0.12 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1ppx n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ppx s GLU 93 N 0.00 1.22 0.01 1.61 2.02 -1.26 -5.12 118.70 117.18 1ppx s GLU 93 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 54.97 54.22 1ppx s GLU 93 Cb 0.00 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.06 1ppx s GLU 93 CO 0.00 0.23 1.11 -2.14 0.02 0.00 0.00 175.26 174.49 1ppx s PRO 94 N -0.10 4.46 0.27 0.39 0.02 -1.26 -4.70 135.00 134.09 1ppx s PRO 94 Ca 0.01 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1ppx s PRO 94 Cb -0.08 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1ppx s PRO 94 CO 0.00 -0.22 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1ppx n TRP 95 N 4.19 -2.42 0.00 6.54 4.27 0.34 -4.97 117.44 125.39 1ppx n TRP 95 Ca 0.08 0.44 0.00 0.00 -3.89 0.00 0.00 57.50 54.13 1ppx n TRP 95 Cb 0.48 0.63 0.00 0.00 -1.36 0.00 0.00 31.31 31.06 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 1.46 0.40 0.72 -1.67 0.00 -0.57 -3.11 105.19 102.42 1ppx n GLY 96 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.01 0.27 1.61 3.00 0.40 -4.69 118.16 118.75 1ppx n LYS 97 Ca 0.00 -0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.41 1ppx n LYS 97 Cb 0.00 0.40 0.76 0.00 0.00 0.00 0.00 35.03 36.19 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 0.01 0.00 -1.42 1.64 -0.00 -1.74 -3.47 114.58 109.61 1ppx h GLU 98 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.11 1ppx h GLU 98 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.35 1ppx h GLU 98 CO -0.01 0.10 -0.28 0.41 -0.00 0.00 0.00 179.01 179.23 1ppx n GLY 99 N -0.81 0.16 2.56 1.06 0.00 -1.26 -5.00 105.19 101.90 1ppx n GLY 99 Ca -0.02 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.26 0.19 0.02 1.61 -0.21 -1.26 -5.11 119.66 110.64 1ppx s GLN 100 Ca 0.00 -0.48 -0.39 0.00 0.02 0.00 0.00 55.36 54.51 1ppx s GLN 100 Cb 0.00 -1.18 -0.18 0.00 1.00 0.00 0.00 33.01 32.65 1ppx s GLN 100 CO 0.00 -1.00 1.21 -2.30 -2.12 0.00 0.00 175.29 171.08 1ppx n PRO 101 N 5.25 0.52 -4.41 2.91 -0.02 -1.26 -4.24 135.00 133.76 1ppx n PRO 101 Ca -0.06 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 1ppx n PRO 101 Cb 0.43 -1.75 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.34 2.37 0.08 -1.23 0.00 -1.26 -2.85 107.32 104.78 1ppx s GLY 102 Ca 0.89 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 1ppx s GLY 102 CO 0.53 -1.67 0.40 -0.54 0.00 0.00 0.00 173.10 171.82 1ppx s GLU 103 N -3.68 0.98 -0.48 2.90 0.41 -1.24 -5.00 118.70 112.59 1ppx s GLU 103 Ca 0.31 -0.52 -0.28 0.00 -0.41 0.00 0.00 54.97 54.07 1ppx s GLU 103 Cb 0.03 0.44 -0.01 0.00 -1.78 0.00 0.00 34.13 32.81 1ppx s GLU 103 CO 0.19 -0.36 1.67 -1.58 -0.49 0.00 0.00 175.26 174.68 1ppx s TRP 104 N -3.08 1.96 0.09 1.61 0.51 -1.26 -3.64 118.94 115.13 1ppx s TRP 104 Ca -0.01 0.64 0.10 0.00 -2.12 0.00 0.00 56.10 54.71 1ppx s TRP 104 Cb 0.00 -4.21 -0.03 0.00 -0.81 0.00 0.00 33.47 28.42 1ppx s TRP 104 CO -0.07 -2.38 -0.26 0.00 -0.51 0.00 0.00 176.95 173.73 1ppx s MET 105 N 5.94 1.53 0.03 4.98 0.23 -0.52 -4.89 119.30 126.61 1ppx s MET 105 Ca 0.66 -1.22 -0.30 0.00 -1.03 0.00 0.00 55.69 53.80 1ppx s MET 105 Cb -0.15 -1.88 -0.07 0.00 -1.53 0.00 0.00 34.83 31.20 1ppx s MET 105 CO 0.27 0.46 1.52 0.45 -2.03 0.00 0.00 175.02 175.70 1ppx s SER 106 N -1.69 6.73 0.51 -1.18 0.15 -1.26 0.72 113.70 117.68 1ppx s SER 106 Ca 0.12 2.29 0.30 0.00 0.70 0.00 0.00 55.95 59.36 1ppx s SER 106 Cb -0.10 -2.56 1.13 0.00 -1.71 0.00 0.00 66.02 62.78 1ppx s SER 106 CO 0.04 -0.80 1.90 0.25 1.20 0.00 0.00 173.24 175.83 1ppx h LEU 107 N 8.49 0.00 -2.15 3.45 7.12 -1.86 -3.05 115.31 127.32 1ppx h LEU 107 Ca -0.40 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1ppx h LEU 107 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1ppx h LEU 107 CO 0.92 0.05 0.24 1.62 -0.13 0.00 0.00 178.44 181.13 1ppx h VAL 108 N 0.00 0.00 -0.64 1.05 3.04 -1.91 -0.73 116.25 117.06 1ppx h VAL 108 Ca -0.00 0.00 -0.44 0.00 -1.01 0.00 0.00 66.70 65.25 1ppx h VAL 108 Cb 0.63 0.72 -0.30 0.00 -2.01 0.00 0.00 31.29 30.33 1ppx h VAL 108 CO 0.01 0.00 -0.32 0.61 -1.01 0.00 0.00 177.57 176.85 1ppx n GLY 109 N -1.19 5.87 3.71 3.17 0.00 -1.15 -4.89 105.19 110.71 1ppx n GLY 109 Ca -0.02 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.53 4.37 -0.05 0.99 2.96 -0.28 -5.00 118.68 118.13 1ppx s LEU 110 Ca 0.51 2.69 0.05 0.00 -0.22 0.00 0.00 54.13 57.16 1ppx s LEU 110 Cb 0.42 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 1ppx s LEU 110 CO 0.01 -0.89 -0.21 0.20 -1.32 0.00 0.00 176.35 174.14 1ppx s ASN 111 N 1.41 2.62 0.28 3.68 0.02 -1.26 -4.60 114.94 117.09 1ppx s ASN 111 Ca 0.73 -0.44 0.25 0.00 -1.02 0.00 0.00 52.86 52.38 1ppx s ASN 111 Cb -0.45 -0.77 0.97 0.00 0.02 0.00 0.00 41.25 41.01 1ppx s ASN 111 CO 0.32 0.19 1.75 0.00 0.02 0.00 0.00 177.10 179.38 1ppx h ALA 112 N 6.22 1.00 0.01 0.60 0.00 -1.92 -2.95 119.26 122.23 1ppx h ALA 112 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ppx h ALA 112 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ppx h ALA 112 CO 0.47 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.84 1ppx h ASP 113 N 0.00 0.07 0.42 0.00 1.82 -1.94 -3.34 116.42 113.44 1ppx h ASP 113 Ca 0.00 -0.94 -0.10 0.00 -0.39 0.00 0.00 57.03 55.61 1ppx h ASP 113 Cb 0.48 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1ppx h ASP 113 CO 0.00 1.00 -0.44 -2.24 -1.61 0.00 0.00 179.24 175.95 1ppx h ASP 114 N -0.86 0.03 -2.98 2.28 2.03 -1.83 -3.42 116.42 111.68 1ppx h ASP 114 Ca -0.02 -0.01 -0.46 0.00 -0.73 0.00 0.00 57.03 55.81 1ppx h ASP 114 Cb 1.03 -0.01 0.09 0.00 -0.83 0.00 0.00 39.33 39.61 1ppx h ASP 114 CO 0.02 0.47 0.16 0.72 -1.03 0.00 0.00 179.24 179.58 1ppx s PHE 115 N -4.03 2.23 0.04 4.15 -0.71 -1.12 -0.17 117.98 118.37 1ppx s PHE 115 Ca -0.03 0.08 -0.30 0.00 -1.04 0.00 0.00 56.93 55.64 1ppx s PHE 115 Cb 0.14 -3.17 -0.04 0.00 -1.21 0.00 0.00 43.02 38.73 1ppx s PHE 115 CO 0.74 -1.60 1.10 -1.25 -1.34 0.00 0.00 175.22 172.87 1ppx s PRO 116 N -5.21 4.49 0.30 1.99 0.04 -0.96 -4.31 135.00 131.34 1ppx s PRO 116 Ca 0.64 1.61 0.17 0.00 0.04 0.00 0.00 61.00 63.45 1ppx s PRO 116 Cb -0.08 -3.40 0.90 0.00 0.04 0.00 0.00 34.50 31.97 1ppx s PRO 116 CO 0.45 -0.15 1.46 -0.35 0.04 0.00 0.00 177.00 178.44 1ppx n PRO 117 N 3.87 0.11 0.01 0.56 -0.04 -1.26 -2.34 135.00 135.91 1ppx n PRO 117 Ca 0.07 0.59 0.02 0.00 -0.04 0.00 0.00 63.50 64.15 1ppx n PRO 117 Cb 0.48 -1.98 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.67 1.18 -2.65 0.55 0.00 -1.26 -2.74 120.51 113.92 1ppx n ALA 118 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1ppx n ALA 118 Cb 0.15 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.54 2.12 0.06 0.00 5.03 -0.99 -4.93 115.26 115.02 1ppx n ASN 119 Ca 0.01 -2.66 -0.11 0.00 0.87 0.00 0.00 54.58 52.69 1ppx n ASN 119 Cb 0.05 -0.49 -0.08 0.00 -1.02 0.00 0.00 39.78 38.24 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 2.75 -0.22 -1.35 3.52 4.81 -1.72 -2.68 114.58 119.70 1ppx h GLU 120 Ca -0.03 0.01 0.40 0.00 -0.13 0.00 0.00 59.36 59.61 1ppx h GLU 120 Cb 1.21 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 1ppx h GLU 120 CO 0.45 0.21 0.92 -1.35 -0.73 0.00 0.00 179.01 178.50 1ppx h PRO 121 N -0.85 0.10 0.01 0.92 0.11 -1.91 1.14 132.00 131.52 1ppx h PRO 121 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ppx h PRO 121 Cb 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1ppx h PRO 121 CO 0.04 0.07 -0.01 0.28 -0.21 0.00 0.00 178.00 178.17 1ppx h VAL 122 N 0.11 1.53 0.00 3.15 2.07 -1.96 -3.30 116.25 117.84 1ppx h VAL 122 Ca 0.72 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1ppx h VAL 122 Cb 2.49 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 35.04 1ppx h VAL 122 CO -0.19 0.48 -0.27 0.40 0.02 0.00 0.00 177.57 178.01 1ppx h ILE 123 N -0.90 1.17 -0.54 4.57 1.08 -0.46 -2.36 117.51 120.07 1ppx h ILE 123 Ca -0.00 -0.94 0.15 0.00 -0.39 0.00 0.00 64.86 63.68 1ppx h ILE 123 Cb 0.80 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 1ppx h ILE 123 CO 0.00 0.27 0.39 0.00 -0.69 0.00 0.00 178.15 178.12 1ppx h ALA 124 N 1.73 2.46 0.07 1.87 0.00 0.11 1.84 119.26 127.33 1ppx h ALA 124 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ppx h ALA 124 Cb 0.49 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ppx h ALA 124 CO 0.04 -0.61 -0.41 -0.22 0.00 0.00 0.00 179.25 178.04 1ppx h LYS 125 N 0.04 0.14 0.00 0.00 3.64 -1.54 -3.24 116.57 115.62 1ppx h LYS 125 Ca 0.26 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ppx h LYS 125 Cb 0.98 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1ppx h LYS 125 CO -0.01 1.11 0.00 1.25 -2.27 0.00 0.00 179.45 179.53 1ppx h LEU 126 N -0.71 0.00 -0.22 5.20 5.85 -1.32 -3.26 115.31 120.85 1ppx h LEU 126 Ca -0.07 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 1ppx h LEU 126 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1ppx h LEU 126 CO 0.07 0.00 -0.39 0.50 -0.34 0.00 0.00 178.44 178.27 1ppx h LYS 127 N 0.00 0.66 0.00 1.25 3.64 0.27 -2.54 116.57 119.85 1ppx h LYS 127 Ca 0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1ppx h LYS 127 Cb 0.88 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1ppx h LYS 127 CO 0.00 1.03 0.00 -2.13 -2.27 0.00 0.00 179.45 176.08 1ppx n ARG 128 N -4.22 0.02 0.00 1.90 0.63 -1.22 -4.81 116.66 108.96 1ppx n ARG 128 Ca -0.05 0.28 0.01 0.00 -0.92 0.00 0.00 57.85 57.16 1ppx n ARG 128 Cb 0.53 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 32.00 1ppx n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59