#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppx s LYS 2 N 0.00 3.29 0.47 2.12 2.20 -1.26 -4.83 119.74 121.72 1ppx s LYS 2 Ca 0.00 -0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.11 1ppx s LYS 2 Cb 0.00 -4.12 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 1ppx s LYS 2 CO 0.00 -1.80 1.42 -1.59 -0.36 0.00 0.00 175.35 173.02 1ppx s LYS 3 N 4.76 3.58 -0.10 4.03 -2.85 -1.26 -4.52 119.74 123.38 1ppx s LYS 3 Ca 0.33 2.40 -0.05 0.00 -1.00 0.00 0.00 55.97 57.66 1ppx s LYS 3 Cb -0.11 -2.58 0.05 0.00 -2.06 0.00 0.00 37.83 33.12 1ppx s LYS 3 CO 0.18 -0.90 0.22 -0.48 0.10 0.00 0.00 175.35 174.47 1ppx s LEU 4 N -2.87 0.44 0.13 2.77 0.05 -0.26 -4.97 118.68 113.98 1ppx s LEU 4 Ca 0.63 0.47 0.03 0.00 0.05 0.00 0.00 54.13 55.31 1ppx s LEU 4 Cb -0.43 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.30 1ppx s LEU 4 CO 0.55 -0.17 0.20 -1.10 -0.55 0.00 0.00 176.35 175.28 1ppx s GLN 5 N 1.32 3.19 -0.10 1.48 -0.21 -1.26 -2.29 119.66 121.79 1ppx s GLN 5 Ca -0.09 -0.68 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 1ppx s GLN 5 Cb -0.11 -2.84 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1ppx s GLN 5 CO -0.08 0.53 0.24 0.96 -2.12 0.00 0.00 175.29 174.82 1ppx s ILE 6 N -1.67 -0.03 -0.12 1.08 -0.00 0.28 -3.22 121.20 117.53 1ppx s ILE 6 Ca 0.33 0.11 0.02 0.00 -0.00 0.00 0.00 60.65 61.11 1ppx s ILE 6 Cb -0.11 -0.37 0.01 0.00 -0.00 0.00 0.00 42.46 42.00 1ppx s ILE 6 CO 0.26 0.05 -0.16 0.00 -0.00 0.00 0.00 174.94 175.08 1ppx s ALA 7 N 0.99 1.80 0.31 2.27 0.00 -1.06 -1.54 121.76 124.53 1ppx s ALA 7 Ca -0.07 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1ppx s ALA 7 Cb -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1ppx s ALA 7 CO -0.06 -0.09 -0.09 0.14 0.00 0.00 0.00 175.76 175.66 1ppx s VAL 8 N 0.99 2.61 -0.22 0.00 -7.23 0.54 -3.81 120.40 113.28 1ppx s VAL 8 Ca -0.06 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 57.90 1ppx s VAL 8 Cb -0.15 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.30 1ppx s VAL 8 CO -0.02 -0.29 0.38 -0.83 -0.31 0.00 0.00 175.10 174.02 1ppx s GLY 9 N -3.62 -0.36 -0.45 2.32 0.00 -1.19 0.81 107.32 104.83 1ppx s GLY 9 Ca 0.32 1.10 -0.28 0.00 0.00 0.00 0.00 44.72 45.86 1ppx s GLY 9 CO 0.17 2.51 1.61 -0.26 0.00 0.00 0.00 173.10 177.12 1ppx s ILE 10 N 2.55 3.65 -0.05 0.90 -4.36 -0.97 -4.63 121.20 118.30 1ppx s ILE 10 Ca 0.07 0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 60.77 1ppx s ILE 10 Cb -0.14 -4.04 -0.04 0.00 1.25 0.00 0.00 42.46 39.49 1ppx s ILE 10 CO -0.14 -0.77 1.40 -0.63 0.24 0.00 0.00 174.94 175.04 1ppx s ILE 11 N 6.62 3.85 -0.24 8.37 1.01 -1.26 -2.75 121.20 136.80 1ppx s ILE 11 Ca 0.66 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 62.22 1ppx s ILE 11 Cb -0.16 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ppx s ILE 11 CO 0.29 -0.04 0.89 -0.13 0.00 0.00 0.00 174.94 175.95 1ppx s ARG 12 N 2.87 4.20 0.25 2.79 1.81 -1.24 -1.69 118.95 127.94 1ppx s ARG 12 Ca 0.63 1.05 -0.04 0.00 -1.72 0.00 0.00 55.73 55.65 1ppx s ARG 12 Cb -0.29 -3.64 0.06 0.00 -0.45 0.00 0.00 34.95 30.62 1ppx s ARG 12 CO 0.24 -0.55 0.30 -1.71 -0.68 0.00 0.00 175.30 172.90 1ppx n ASN 13 N 6.10 -0.27 -0.08 0.23 4.05 0.57 -3.15 115.26 122.72 1ppx n ASN 13 Ca 0.07 -1.01 0.15 0.00 0.45 0.00 0.00 54.58 54.24 1ppx n ASN 13 Cb 0.47 -0.24 0.75 0.00 1.23 0.00 0.00 39.78 41.99 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1ppx n GLU 14 N -1.81 0.82 -2.51 1.20 2.13 -1.26 -3.88 120.64 115.32 1ppx n GLU 14 Ca 0.04 -0.17 -0.10 0.00 0.66 0.00 0.00 57.16 57.59 1ppx n GLU 14 Cb 0.14 -1.50 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 -0.95 2.91 0.00 4.31 2.85 -1.26 -4.93 115.26 118.19 1ppx n ASN 15 Ca 0.18 -2.74 0.00 0.00 -0.11 0.00 0.00 54.58 51.91 1ppx n ASN 15 Cb 0.22 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.81 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 -0.62 -5.35 -4.90 1.20 4.13 -1.25 -4.95 115.26 103.52 1ppx n ASN 16 Ca 0.22 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.17 1ppx n ASN 16 Cb 0.86 -3.19 -0.04 0.00 -1.54 0.00 0.00 39.78 35.86 1ppx n ASN 16 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ppx s GLU 17 N -1.78 3.35 -0.02 3.52 -1.05 -1.26 -4.28 118.70 117.18 1ppx s GLU 17 Ca 0.00 -0.47 0.05 0.00 -0.15 0.00 0.00 54.97 54.40 1ppx s GLU 17 Cb 0.00 -3.00 -0.03 0.00 -0.44 0.00 0.00 34.13 30.67 1ppx s GLU 17 CO 0.00 0.61 -0.16 0.42 0.95 0.00 0.00 175.26 177.08 1ppx s ILE 18 N -1.47 2.92 -0.74 1.83 1.09 0.44 0.21 121.20 125.48 1ppx s ILE 18 Ca 0.33 -0.88 -0.27 0.00 -1.10 0.00 0.00 60.65 58.74 1ppx s ILE 18 Cb -0.13 -2.16 0.03 0.00 -1.06 0.00 0.00 42.46 39.15 1ppx s ILE 18 CO 0.26 0.52 1.26 0.12 -0.10 0.00 0.00 174.94 177.00 1ppx s PHE 19 N -0.78 2.31 0.30 3.97 2.19 -0.68 -0.92 117.98 124.37 1ppx s PHE 19 Ca 0.12 -0.10 0.09 0.00 0.33 0.00 0.00 56.93 57.38 1ppx s PHE 19 Cb -0.11 -4.60 -0.05 0.00 -1.31 0.00 0.00 43.02 36.95 1ppx s PHE 19 CO 0.02 -2.04 0.01 0.96 1.83 0.00 0.00 175.22 175.99 1ppx s ILE 20 N 5.60 3.08 -0.42 3.12 -4.36 -1.10 -4.42 121.20 122.70 1ppx s ILE 20 Ca 0.34 -1.93 -0.27 0.00 -0.26 0.00 0.00 60.65 58.53 1ppx s ILE 20 Cb -0.09 -2.81 0.02 0.00 1.25 0.00 0.00 42.46 40.84 1ppx s ILE 20 CO 0.14 -0.30 1.03 0.42 0.24 0.00 0.00 174.94 176.47 1ppx s THR 21 N -2.41 4.40 -0.33 8.37 -4.23 0.35 -1.45 115.64 120.34 1ppx s THR 21 Ca 0.33 1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 61.91 1ppx s THR 21 Cb -0.04 -4.47 -0.01 0.00 1.34 0.00 0.00 72.50 69.32 1ppx s THR 21 CO 0.20 -0.78 0.19 -0.60 -0.54 0.00 0.00 174.62 173.09 1ppx s ARG 22 N 3.93 3.31 -1.82 3.99 3.00 -1.17 -2.12 118.95 128.08 1ppx s ARG 22 Ca 0.43 -0.75 0.00 0.00 -1.00 0.00 0.00 55.73 54.40 1ppx s ARG 22 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 34.95 31.18 1ppx s ARG 22 CO 0.25 -0.47 0.00 0.54 0.00 0.00 0.00 175.30 175.62 1ppx n ARG 23 N 5.03 -1.42 0.00 5.12 1.74 -1.26 -4.47 116.66 121.39 1ppx n ARG 23 Ca -0.13 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 1ppx n ARG 23 Cb 0.49 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 0.72 0.00 -2.26 7.54 0.00 -1.26 -2.53 120.51 122.72 1ppx n ALA 24 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ppx n ALA 24 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 4.15 -1.28 -3.61 0.00 0.00 -1.26 -2.65 120.51 115.86 1ppx n ALA 25 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1ppx n ALA 25 Cb 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.13 -1.42 -3.12 0.00 5.68 -1.05 -5.07 116.55 111.44 1ppx n ASP 26 Ca -0.02 -1.86 -0.34 0.00 -0.50 0.00 0.00 54.79 52.06 1ppx n ASP 26 Cb 0.48 2.33 0.00 0.00 -1.14 0.00 0.00 41.12 42.79 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 -1.34 5.55 -2.06 2.12 0.00 -1.26 -4.49 120.51 119.03 1ppx n ALA 27 Ca -0.11 -4.52 -0.04 0.00 0.00 0.00 0.00 53.44 48.78 1ppx n ALA 27 Cb 0.42 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.26 0.00 -2.34 0.00 -0.00 -1.26 -4.94 115.22 106.41 1ppx n HIS 28 Ca 0.42 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1ppx n HIS 28 Cb 0.36 0.33 0.01 0.00 -0.00 0.00 0.00 29.99 30.69 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 0.06 0.15 0.27 1.57 2.81 -1.26 -4.99 117.12 115.73 1ppx n MET 29 Ca -0.15 -0.16 0.15 0.00 -1.81 0.00 0.00 57.70 55.74 1ppx n MET 29 Cb 0.71 0.14 0.73 0.00 -0.71 0.00 0.00 33.22 34.09 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 0.11 1.07 -0.48 3.04 0.00 -1.83 -2.33 119.26 118.85 1ppx h ALA 30 Ca -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ppx h ALA 30 Cb 0.96 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1ppx h ALA 30 CO -0.03 0.10 0.07 0.27 0.00 0.00 0.00 179.25 179.66 1ppx n ASN 31 N -3.29 4.41 -0.89 0.00 6.94 -1.25 -4.12 115.26 117.06 1ppx n ASN 31 Ca -0.01 -2.77 0.02 0.00 -0.02 0.00 0.00 54.58 51.80 1ppx n ASN 31 Cb 0.28 -0.66 0.21 0.00 -2.36 0.00 0.00 39.78 37.25 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ppx n LYS 32 N 0.29 1.97 -1.51 -3.83 4.01 -0.88 -2.16 118.16 116.06 1ppx n LYS 32 Ca 0.24 -3.05 -0.16 0.00 -0.51 0.00 0.00 58.31 54.83 1ppx n LYS 32 Cb 1.02 -1.76 -0.14 0.00 -0.51 0.00 0.00 35.03 33.65 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1ppx n LEU 33 N -1.03 0.27 0.00 -0.35 0.00 -0.81 -4.52 117.00 110.56 1ppx n LEU 33 Ca 0.27 -1.15 -0.24 0.00 0.00 0.00 0.00 56.01 54.88 1ppx n LEU 33 Cb 0.91 -1.15 -0.05 0.00 0.00 0.00 0.00 43.42 43.12 1ppx n LEU 33 CO 0.13 -2.15 -0.18 1.21 0.00 0.00 0.00 177.39 176.40 1ppx n GLU 34 N 7.23 1.08 -4.47 1.96 4.07 -0.90 -4.18 120.64 125.42 1ppx n GLU 34 Ca 0.54 -2.77 -0.24 0.00 -0.06 0.00 0.00 57.16 54.62 1ppx n GLU 34 Cb 0.31 0.74 -0.10 0.00 -0.06 0.00 0.00 31.44 32.33 1ppx n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1ppx s PHE 35 N -2.37 2.32 1.09 4.31 -0.12 -1.26 0.13 117.98 122.08 1ppx s PHE 35 Ca 0.00 -0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 56.34 1ppx s PHE 35 Cb -0.00 -1.06 0.08 0.00 -0.63 0.00 0.00 43.02 41.41 1ppx s PHE 35 CO 0.00 0.70 -0.05 -0.35 -0.05 0.00 0.00 175.22 175.47 1ppx n PRO 36 N -0.66 -1.34 0.00 1.99 -0.04 -1.26 -4.78 135.00 128.91 1ppx n PRO 36 Ca -0.05 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1ppx n PRO 36 Cb 0.60 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.07 0.82 2.84 0.55 0.00 -1.25 -3.18 105.19 107.03 1ppx n GLY 37 Ca 0.01 -0.76 -0.26 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 -1.66 0.76 0.00 -0.02 0.00 -1.25 -2.58 107.32 102.57 1ppx s GLY 38 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1ppx s GLY 38 CO 0.00 1.05 0.00 1.17 0.00 0.00 0.00 173.10 175.32 1ppx n LYS 39 N 4.99 0.00 0.21 2.90 4.81 -1.26 -5.00 118.16 124.81 1ppx n LYS 39 Ca -0.10 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.50 1ppx n LYS 39 Cb 0.49 0.00 0.82 0.00 0.02 0.00 0.00 35.03 36.36 1ppx n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1ppx h ILE 40 N 0.00 0.52 0.00 3.15 3.07 -1.81 -3.22 117.51 119.22 1ppx h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1ppx h ILE 40 Cb 0.00 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1ppx h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1ppx n GLU 41 N -3.88 0.00 0.00 0.16 0.28 -1.20 -4.06 120.64 111.95 1ppx n GLU 41 Ca 0.01 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1ppx n GLU 41 Cb 0.30 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.19 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 -0.85 0.00 -0.76 3.44 2.81 -1.22 -2.32 117.12 118.22 1ppx n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1ppx n MET 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 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 0.17 2.00 3.03 0.00 -1.26 -5.12 105.19 104.00 1ppx n GLY 43 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.24 -4.08 1.61 4.71 -0.98 -5.08 120.64 117.06 1ppx n GLU 44 Ca -0.16 -1.40 -0.26 0.00 -0.01 0.00 0.00 57.16 55.33 1ppx n GLU 44 Cb 0.51 -0.34 -0.05 0.00 -1.01 0.00 0.00 31.44 30.54 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ppx s THR 45 N -1.47 4.48 0.61 2.62 2.01 -1.26 -4.76 115.64 117.86 1ppx s THR 45 Ca 0.34 -1.08 0.26 0.00 0.31 0.00 0.00 61.69 61.51 1ppx s THR 45 Cb -0.02 -3.29 0.36 0.00 0.01 0.00 0.00 72.50 69.56 1ppx s THR 45 CO 0.23 -0.11 1.47 1.55 -0.69 0.00 0.00 174.62 177.06 1ppx h PRO 46 N 2.41 0.00 0.00 4.92 0.13 -1.98 1.59 132.00 139.07 1ppx h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 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 0.63 0.00 -1.75 0.39 -0.23 0.00 0.00 178.00 177.04 1ppx n GLU 47 N -3.29 0.57 0.19 0.86 -0.58 -1.26 -4.43 120.64 112.69 1ppx n GLU 47 Ca 0.17 0.43 0.08 0.00 -0.42 0.00 0.00 57.16 57.42 1ppx n GLU 47 Cb 1.22 -1.63 0.11 0.00 -0.57 0.00 0.00 31.44 30.57 1ppx n GLU 47 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ppx h GLN 48 N -1.00 0.00 -0.32 3.49 1.08 -1.62 -3.09 115.11 113.65 1ppx h GLN 48 Ca -0.47 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.77 1ppx h GLN 48 Cb 1.39 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 1ppx h GLN 48 CO -0.28 0.20 0.08 0.00 -0.95 0.00 0.00 178.83 177.87 1ppx h ALA 49 N 1.80 0.34 0.04 3.87 0.00 0.20 0.40 119.26 125.91 1ppx h ALA 49 Ca -0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1ppx h ALA 49 Cb 1.16 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ppx h ALA 49 CO 0.03 -0.33 -0.41 -0.39 0.00 0.00 0.00 179.25 178.15 1ppx h VAL 50 N 0.20 1.58 -0.74 0.00 -1.51 -1.75 -2.27 116.25 111.75 1ppx h VAL 50 Ca 0.15 -2.23 0.10 0.00 -1.23 0.00 0.00 66.70 63.48 1ppx h VAL 50 Cb 0.15 3.02 -0.05 0.00 -2.13 0.00 0.00 31.29 32.28 1ppx h VAL 50 CO -0.18 0.61 0.49 0.58 -1.23 0.00 0.00 177.57 177.84 1ppx h VAL 51 N -0.53 0.94 0.00 7.19 2.07 -1.45 0.94 116.25 125.41 1ppx h VAL 51 Ca -0.06 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1ppx h VAL 51 Cb 1.23 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ppx h VAL 51 CO 0.08 0.12 -0.00 0.03 0.02 0.00 0.00 177.57 177.81 1ppx h ARG 52 N 0.64 -0.00 0.00 1.57 3.08 -0.28 -3.26 114.38 116.13 1ppx h ARG 52 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 1ppx h ARG 52 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1ppx h ARG 52 CO -0.12 0.83 -0.10 1.49 -1.07 0.00 0.00 179.97 180.99 1ppx h GLU 53 N -0.85 0.00 -0.72 0.04 4.22 -0.99 -2.83 114.58 113.46 1ppx h GLU 53 Ca -0.00 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.56 1ppx h GLU 53 Cb 0.83 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 1ppx h GLU 53 CO 0.00 0.10 0.30 1.25 -2.18 0.00 0.00 179.01 178.49 1ppx h LEU 54 N 0.00 0.33 -1.32 1.64 5.85 0.87 0.59 115.31 123.27 1ppx h LEU 54 Ca -0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1ppx h LEU 54 Cb 0.36 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ppx h LEU 54 CO 0.01 0.16 -0.08 1.56 -0.34 0.00 0.00 178.44 179.75 1ppx h GLN 55 N 0.49 0.35 0.00 1.25 7.50 -1.63 0.71 115.11 123.78 1ppx h GLN 55 Ca 0.38 -0.08 -0.09 0.00 0.50 0.00 0.00 58.65 59.36 1ppx h GLN 55 Cb 0.50 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.97 1ppx h GLN 55 CO -0.34 0.45 -0.42 1.49 -1.50 0.00 0.00 178.83 178.51 1ppx h GLU 56 N 0.34 0.00 -0.24 1.46 4.81 -0.58 0.51 114.58 120.88 1ppx h GLU 56 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ppx h GLU 56 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ppx h GLU 56 CO 0.02 0.42 0.00 0.39 -0.73 0.00 0.00 179.01 179.11 1ppx n GLU 57 N -3.30 1.96 0.00 1.92 -0.58 0.17 -1.51 120.64 119.31 1ppx n GLU 57 Ca 0.01 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1ppx n GLU 57 Cb 0.64 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 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 0.75 0.00 -0.62 2.62 0.31 0.24 -4.24 118.33 117.40 1ppx n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1ppx n VAL 58 Cb 0.41 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ppx n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ppx n GLY 59 N 1.97 0.00 0.78 2.92 0.00 0.18 -0.10 105.19 110.93 1ppx n GLY 59 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.67 0.00 -3.72 -0.61 -5.35 -1.26 -4.75 119.36 102.00 1ppx n ILE 60 Ca 0.00 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.63 1ppx n ILE 60 Cb 0.18 -0.02 -0.09 0.00 -1.74 0.00 0.00 39.64 37.97 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 -1.19 3.75 0.03 7.28 -4.23 -1.26 -4.97 115.64 115.05 1ppx s THR 61 Ca 0.02 -3.23 0.06 0.00 -1.18 0.00 0.00 61.69 57.36 1ppx s THR 61 Cb -0.00 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 1ppx s THR 61 CO 0.01 -0.92 -0.14 -2.16 -0.54 0.00 0.00 174.62 170.87 1ppx s PRO 62 N -0.40 2.25 -1.25 3.99 0.04 -1.26 -3.07 135.00 135.30 1ppx s PRO 62 Ca 0.19 -0.89 -0.20 0.00 0.04 0.00 0.00 61.00 60.14 1ppx s PRO 62 Cb -0.17 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1ppx s PRO 62 CO -0.05 0.56 1.83 -0.65 0.04 0.00 0.00 177.00 178.73 1ppx s GLN 63 N -1.42 3.26 -0.13 4.56 -0.21 -0.46 -4.84 119.66 120.42 1ppx s GLN 63 Ca 0.15 -1.60 0.03 0.00 0.02 0.00 0.00 55.36 53.96 1ppx s GLN 63 Cb -0.11 -5.40 0.01 0.00 1.00 0.00 0.00 33.01 28.51 1ppx s GLN 63 CO 0.06 -3.11 -0.22 -1.58 -2.12 0.00 0.00 175.29 168.32 1ppx s HIS 64 N 7.55 2.65 0.00 0.91 2.46 -1.23 -0.07 115.29 127.57 1ppx s HIS 64 Ca 0.61 -1.27 0.00 0.00 0.47 0.00 0.00 55.06 54.87 1ppx s HIS 64 Cb 0.02 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 1ppx s HIS 64 CO 0.11 -0.57 0.00 0.34 -2.47 0.00 0.00 174.74 172.15 1ppx n PHE 65 N 3.96 0.00 0.00 3.88 7.35 -1.17 -4.93 117.46 126.54 1ppx n PHE 65 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1ppx n PHE 65 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1ppx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ppx n SER 66 N 0.00 -0.06 -4.83 -2.13 7.64 -1.19 -3.89 113.62 109.16 1ppx n SER 66 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1ppx n SER 66 Cb 0.00 0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.12 4.36 -0.23 -3.43 1.98 -1.26 0.12 118.68 119.09 1ppx s LEU 67 Ca 0.00 0.57 -0.09 0.00 -2.89 0.00 0.00 54.13 51.72 1ppx s LEU 67 Cb 0.00 -2.25 -0.11 0.00 0.66 0.00 0.00 46.19 44.49 1ppx s LEU 67 CO 0.00 0.31 -0.28 0.33 -1.89 0.00 0.00 176.35 174.82 1ppx n PHE 68 N 2.39 0.00 -3.56 5.38 -0.00 -0.97 -4.55 117.46 116.16 1ppx n PHE 68 Ca -0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.22 1ppx n PHE 68 Cb 0.53 -0.85 -0.03 0.00 -0.00 0.00 0.00 39.48 39.14 1ppx n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1ppx s GLU 69 N -2.43 0.53 -0.07 -4.13 2.12 0.25 -4.99 118.70 109.98 1ppx s GLU 69 Ca -0.32 -0.13 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 1ppx s GLU 69 Cb 0.12 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.79 1ppx s GLU 69 CO 0.44 -0.22 0.15 -1.59 -0.54 0.00 0.00 175.26 173.49 1ppx s LYS 70 N -2.38 0.08 -0.10 4.30 0.00 -1.26 0.10 119.74 120.47 1ppx s LYS 70 Ca 0.06 0.41 0.01 0.00 0.00 0.00 0.00 55.97 56.45 1ppx s LYS 70 Cb -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 37.83 37.64 1ppx s LYS 70 CO -0.05 -0.20 -0.12 -1.17 0.00 0.00 0.00 175.35 173.81 1ppx s LEU 71 N 1.41 1.55 -0.21 2.77 2.96 -0.61 -4.95 118.68 121.59 1ppx s LEU 71 Ca -0.07 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1ppx s LEU 71 Cb -0.12 -0.96 0.02 0.00 0.50 0.00 0.00 46.19 45.63 1ppx s LEU 71 CO -0.06 -0.03 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.12 1ppx s GLU 72 N 1.16 2.99 -0.01 1.98 2.12 -1.26 -2.36 118.70 123.32 1ppx s GLU 72 Ca -0.04 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.44 1ppx s GLU 72 Cb -0.14 -2.80 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1ppx s GLU 72 CO -0.03 -0.28 -0.02 -0.47 -0.54 0.00 0.00 175.26 173.92 1ppx s TYR 73 N 1.33 0.33 -0.23 5.30 5.04 -0.78 -5.03 117.35 123.30 1ppx s TYR 73 Ca 0.03 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.56 1ppx s TYR 73 Cb -0.15 -0.28 -0.02 0.00 0.35 0.00 0.00 41.96 41.86 1ppx s TYR 73 CO -0.08 -0.05 0.01 -1.83 -1.34 0.00 0.00 175.55 172.26 1ppx s GLU 74 N 0.31 3.52 0.84 4.97 -1.05 -1.26 -1.69 118.70 124.33 1ppx s GLU 74 Ca -0.03 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.13 1ppx s GLU 74 Cb -0.06 -3.15 0.10 0.00 -0.44 0.00 0.00 34.13 30.58 1ppx s GLU 74 CO -0.01 -0.18 1.09 -0.06 0.95 0.00 0.00 175.26 177.06 1ppx s PHE 75 N 1.50 2.45 -0.31 4.83 0.40 0.39 -4.73 117.98 122.50 1ppx s PHE 75 Ca 0.06 1.38 -0.04 0.00 -0.60 0.00 0.00 56.93 57.73 1ppx s PHE 75 Cb -0.15 -3.11 -0.09 0.00 0.51 0.00 0.00 43.02 40.18 1ppx s PHE 75 CO 0.00 -2.12 1.36 -0.35 0.70 0.00 0.00 175.22 174.82 1ppx n PRO 76 N -3.71 0.02 0.00 0.24 -0.04 -1.26 0.12 135.00 130.37 1ppx n PRO 76 Ca 0.08 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ppx n PRO 76 Cb 0.54 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 6.05 0.00 -4.87 3.54 2.03 -1.26 -4.98 116.55 117.06 1ppx n ASP 77 Ca 0.19 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.18 1ppx n ASP 77 Cb 0.42 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 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 3.81 -0.33 -0.67 3.52 0.34 0.11 118.95 125.46 1ppx s ARG 78 Ca 0.00 0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.94 1ppx s ARG 78 Cb 0.00 -2.63 0.09 0.00 -1.56 0.00 0.00 34.95 30.86 1ppx s ARG 78 CO 0.00 0.30 0.03 -1.58 -0.81 0.00 0.00 175.30 173.24 1ppx s HIS 79 N -1.84 3.63 -0.23 5.12 5.65 -1.26 0.15 115.29 126.51 1ppx s HIS 79 Ca 0.48 -2.86 -0.09 0.00 0.25 0.00 0.00 55.06 52.84 1ppx s HIS 79 Cb -0.11 -2.73 -0.04 0.00 -1.18 0.00 0.00 32.58 28.51 1ppx s HIS 79 CO 0.21 -0.94 0.11 0.42 -0.65 0.00 0.00 174.74 173.89 1ppx s ILE 80 N 0.95 4.89 -0.20 0.89 1.01 -0.68 -1.10 121.20 126.96 1ppx s ILE 80 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1ppx s ILE 80 Cb -0.19 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.04 1ppx s ILE 80 CO -0.08 0.37 -0.15 -0.89 0.00 0.00 0.00 174.94 174.20 1ppx s THR 81 N 1.03 2.40 -0.18 2.92 2.01 -0.97 -1.87 115.64 120.98 1ppx s THR 81 Ca 0.05 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1ppx s THR 81 Cb -0.14 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.33 1ppx s THR 81 CO 0.04 0.43 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.83 1ppx s LEU 82 N 1.31 2.01 -0.23 4.42 0.05 -0.99 0.10 118.68 125.34 1ppx s LEU 82 Ca 0.03 -0.79 -0.08 0.00 0.05 0.00 0.00 54.13 53.34 1ppx s LEU 82 Cb -0.14 -1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 42.85 1ppx s LEU 82 CO -0.10 -0.16 0.08 0.26 -0.55 0.00 0.00 176.35 175.89 1ppx s TRP 83 N 1.49 3.14 -0.43 3.48 0.52 -0.59 -1.58 118.94 124.97 1ppx s TRP 83 Ca -0.00 -0.22 -0.18 0.00 0.02 0.00 0.00 56.10 55.72 1ppx s TRP 83 Cb -0.16 -2.21 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1ppx s TRP 83 CO -0.08 -0.20 0.50 -0.06 0.02 0.00 0.00 176.95 177.13 1ppx s PHE 84 N 1.30 3.14 0.09 -1.98 0.40 0.28 -0.34 117.98 120.88 1ppx s PHE 84 Ca 0.05 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1ppx s PHE 84 Cb -0.15 -3.06 -0.05 0.00 0.51 0.00 0.00 43.02 40.28 1ppx s PHE 84 CO 0.04 -0.77 0.32 -1.58 0.70 0.00 0.00 175.22 173.93 1ppx s TRP 85 N 2.33 3.51 -0.05 0.36 0.52 0.24 -0.58 118.94 125.27 1ppx s TRP 85 Ca 0.15 0.51 -0.13 0.00 0.02 0.00 0.00 56.10 56.65 1ppx s TRP 85 Cb -0.17 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 1ppx s TRP 85 CO 0.15 0.51 0.33 -1.17 0.02 0.00 0.00 176.95 176.79 1ppx s LEU 86 N -2.40 4.42 0.06 2.99 1.98 0.31 -2.28 118.68 123.76 1ppx s LEU 86 Ca 0.37 0.79 0.08 0.00 -2.89 0.00 0.00 54.13 52.48 1ppx s LEU 86 Cb -0.13 -2.44 -0.03 0.00 0.66 0.00 0.00 46.19 44.25 1ppx s LEU 86 CO 0.23 0.31 -0.22 -0.69 -1.89 0.00 0.00 176.35 174.09 1ppx s VAL 87 N -0.84 1.78 -0.01 1.68 1.01 -1.11 -3.07 120.40 119.84 1ppx s VAL 87 Ca 0.21 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1ppx s VAL 87 Cb -0.15 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1ppx s VAL 87 CO 0.10 0.17 0.08 -1.84 0.00 0.00 0.00 175.10 173.61 1ppx n GLU 88 N 1.63 0.79 -3.47 2.72 -0.00 -1.16 -3.64 120.64 117.51 1ppx n GLU 88 Ca -0.18 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.16 56.85 1ppx n GLU 88 Cb 0.53 -1.10 -0.02 0.00 -0.00 0.00 0.00 31.44 30.85 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1ppx s ARG 89 N -2.26 1.14 -0.25 3.44 6.06 0.90 -4.59 118.95 123.40 1ppx s ARG 89 Ca -0.02 -0.43 -0.11 0.00 -2.50 0.00 0.00 55.73 52.66 1ppx s ARG 89 Cb 0.02 0.52 0.09 0.00 0.06 0.00 0.00 34.95 35.64 1ppx s ARG 89 CO 0.18 -0.50 0.58 1.67 -2.50 0.00 0.00 175.30 174.72 1ppx s TRP 90 N -3.54 -1.02 0.44 5.12 -2.14 -1.21 -1.36 118.94 115.24 1ppx s TRP 90 Ca 0.03 1.93 -0.21 0.00 2.66 0.00 0.00 56.10 60.51 1ppx s TRP 90 Cb -0.01 0.56 -0.10 0.00 -3.10 0.00 0.00 33.47 30.82 1ppx s TRP 90 CO -0.11 -0.53 0.99 -1.21 -2.66 0.00 0.00 176.95 173.44 1ppx s GLU 91 N 2.12 4.07 6.98 3.25 2.02 -1.17 -4.82 118.70 131.16 1ppx s GLU 91 Ca -0.07 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.18 1ppx s GLU 91 Cb -0.09 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1ppx s GLU 91 CO -0.17 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1ppx n GLY 92 N -0.34 3.67 3.12 -1.39 0.00 -1.26 -4.60 105.19 104.39 1ppx n GLY 92 Ca 0.07 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 1.06 0.00 1.61 2.02 -1.26 -5.12 118.70 117.01 1ppx s GLU 93 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.11 1ppx s GLU 93 Cb 0.00 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 1ppx s GLU 93 CO 0.00 0.28 1.12 -2.14 0.02 0.00 0.00 175.26 174.54 1ppx s PRO 94 N -0.60 4.45 0.14 0.39 0.02 -1.26 -4.75 135.00 133.39 1ppx s PRO 94 Ca 0.04 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1ppx s PRO 94 Cb -0.06 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.02 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 4.28 -0.68 0.00 6.54 4.27 0.85 -4.96 117.44 127.74 1ppx n TRP 95 Ca 0.08 0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.82 1ppx n TRP 95 Cb 0.48 0.17 0.00 0.00 -1.36 0.00 0.00 31.31 30.60 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 2.87 0.01 0.00 -1.67 0.00 0.39 -4.22 105.19 102.56 1ppx n GLY 96 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ppx n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ppx n LYS 97 N 0.00 0.00 0.08 1.61 3.00 -0.57 -4.56 118.16 117.72 1ppx n LYS 97 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1ppx n LYS 97 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ppx h GLU 98 N 0.00 0.18 0.00 1.64 -0.00 -1.73 -3.46 114.58 111.20 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 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 28.86 1ppx h GLU 98 CO 0.00 1.12 0.00 0.41 -0.00 0.00 0.00 179.01 180.54 1ppx n GLY 99 N 1.49 0.79 2.51 1.06 0.00 -1.26 -4.97 105.19 104.81 1ppx n GLY 99 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 0.38 0.40 1.61 1.11 -1.26 -4.90 119.66 117.00 1ppx s GLN 100 Ca 0.00 -0.94 -0.22 0.00 0.01 0.00 0.00 55.36 54.20 1ppx s GLN 100 Cb 0.00 -1.21 -0.14 0.00 -1.01 0.00 0.00 33.01 30.65 1ppx s GLN 100 CO 0.00 -1.12 0.38 -2.30 0.01 0.00 0.00 175.29 172.26 1ppx n PRO 101 N 4.60 0.33 -4.40 2.91 -0.02 -1.08 -4.51 135.00 132.82 1ppx n PRO 101 Ca 0.04 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.42 1ppx n PRO 101 Cb 0.39 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.97 2.39 0.07 -1.23 0.00 -1.26 -3.03 107.32 103.29 1ppx s GLY 102 Ca 0.62 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 1ppx s GLY 102 CO 0.60 -1.67 0.24 -0.54 0.00 0.00 0.00 173.10 171.73 1ppx s GLU 103 N -3.67 0.82 -0.39 2.90 0.41 -0.53 -4.91 118.70 113.33 1ppx s GLU 103 Ca 0.32 -0.72 -0.28 0.00 -0.41 0.00 0.00 54.97 53.88 1ppx s GLU 103 Cb 0.03 0.34 -0.03 0.00 -1.78 0.00 0.00 34.13 32.69 1ppx s GLU 103 CO 0.19 -0.26 1.96 -1.58 -0.49 0.00 0.00 175.26 175.08 1ppx s TRP 104 N -3.14 1.58 0.27 1.61 0.51 -1.26 -2.69 118.94 115.81 1ppx s TRP 104 Ca -0.01 0.77 0.12 0.00 -2.12 0.00 0.00 56.10 54.86 1ppx s TRP 104 Cb 0.01 -4.02 -0.05 0.00 -0.81 0.00 0.00 33.47 28.61 1ppx s TRP 104 CO -0.07 -2.93 -0.20 -1.64 -0.51 0.00 0.00 176.95 171.59 1ppx s MET 105 N 6.41 1.67 -0.35 4.98 -1.94 -0.09 -4.89 119.30 125.09 1ppx s MET 105 Ca 0.83 -1.75 -0.29 0.00 -1.71 0.00 0.00 55.69 52.76 1ppx s MET 105 Cb -0.21 -1.77 0.01 0.00 2.01 0.00 0.00 34.83 34.87 1ppx s MET 105 CO 0.30 0.33 1.18 -1.54 -0.01 0.00 0.00 175.02 175.28 1ppx s SER 106 N -3.45 6.76 0.41 3.03 1.04 -1.26 0.17 113.70 120.40 1ppx s SER 106 Ca 0.29 0.97 0.23 0.00 0.48 0.00 0.00 55.95 57.92 1ppx s SER 106 Cb -0.05 -2.54 0.36 0.00 0.10 0.00 0.00 66.02 63.89 1ppx s SER 106 CO 0.15 -1.05 1.60 0.25 0.98 0.00 0.00 173.24 175.16 1ppx h LEU 107 N 10.67 0.00 -2.22 2.42 7.12 -1.86 -3.26 115.31 128.18 1ppx h LEU 107 Ca -0.23 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1ppx h LEU 107 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1ppx h LEU 107 CO 1.06 0.00 0.16 0.58 -0.13 0.00 0.00 178.44 180.10 1ppx h VAL 108 N 0.00 0.00 -1.09 1.05 2.07 -1.90 -2.78 116.25 113.61 1ppx h VAL 108 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 1ppx h VAL 108 Cb 0.98 0.74 -0.40 0.00 -1.52 0.00 0.00 31.29 31.09 1ppx h VAL 108 CO 0.00 0.00 -1.17 0.61 0.02 0.00 0.00 177.57 177.03 1ppx n GLY 109 N -1.18 1.92 3.74 2.17 0.00 -1.23 -4.80 105.19 105.80 1ppx n GLY 109 Ca -0.02 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.12 3.60 -0.10 0.99 0.20 -1.05 -5.02 118.68 114.19 1ppx s LEU 110 Ca 0.29 2.51 0.03 0.00 0.69 0.00 0.00 54.13 57.65 1ppx s LEU 110 Cb 0.45 -4.61 -0.01 0.00 -0.43 0.00 0.00 46.19 41.59 1ppx s LEU 110 CO 0.02 -1.83 -0.19 0.20 -0.29 0.00 0.00 176.35 174.26 1ppx s ASN 111 N -1.51 3.55 0.27 3.68 0.02 -1.26 -4.79 114.94 114.91 1ppx s ASN 111 Ca 0.80 -0.42 0.25 0.00 -1.02 0.00 0.00 52.86 52.47 1ppx s ASN 111 Cb -0.34 -1.30 0.96 0.00 0.02 0.00 0.00 41.25 40.59 1ppx s ASN 111 CO 0.37 0.20 1.74 0.00 0.02 0.00 0.00 177.10 179.44 1ppx h ALA 112 N 6.41 1.00 0.01 0.60 0.00 -1.94 -2.91 119.26 122.44 1ppx h ALA 112 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 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 0.51 0.00 -0.10 0.22 0.00 0.00 0.00 179.25 179.87 1ppx h ASP 113 N 0.00 0.07 -0.46 0.00 1.82 -1.96 -3.35 116.42 112.52 1ppx h ASP 113 Ca 0.00 -0.92 -0.11 0.00 -0.39 0.00 0.00 57.03 55.61 1ppx h ASP 113 Cb 0.47 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1ppx h ASP 113 CO 0.00 0.99 -0.11 -2.24 -1.61 0.00 0.00 179.24 176.26 1ppx h ASP 114 N -0.84 0.94 -4.37 2.28 2.03 -1.87 -3.45 116.42 111.14 1ppx h ASP 114 Ca -0.02 -0.30 -0.46 0.00 -0.73 0.00 0.00 57.03 55.52 1ppx h ASP 114 Cb 1.01 -0.25 0.12 0.00 -0.83 0.00 0.00 39.33 39.38 1ppx h ASP 114 CO 0.02 1.06 0.39 0.72 -1.03 0.00 0.00 179.24 180.40 1ppx s PHE 115 N -4.82 2.45 0.00 4.15 -0.71 -1.10 -1.92 117.98 116.03 1ppx s PHE 115 Ca -0.11 0.64 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 1ppx s PHE 115 Cb 0.13 -3.65 -0.04 0.00 -1.21 0.00 0.00 43.02 38.25 1ppx s PHE 115 CO 0.85 -2.17 1.16 -1.25 -1.34 0.00 0.00 175.22 172.47 1ppx s PRO 116 N -5.61 4.42 0.31 1.99 0.04 -0.92 -4.54 135.00 130.69 1ppx s PRO 116 Ca 0.66 1.67 0.18 0.00 0.04 0.00 0.00 61.00 63.55 1ppx s PRO 116 Cb -0.10 -3.45 1.00 0.00 0.04 0.00 0.00 34.50 31.99 1ppx s PRO 116 CO 0.51 -0.29 1.53 -0.35 0.04 0.00 0.00 177.00 178.43 1ppx n PRO 117 N 4.41 0.12 0.05 0.56 -0.04 -1.26 -2.18 135.00 136.65 1ppx n PRO 117 Ca 0.09 0.61 0.05 0.00 -0.04 0.00 0.00 63.50 64.21 1ppx n PRO 117 Cb 0.47 -1.99 0.24 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.70 1.20 -2.56 0.55 0.00 -1.26 -2.62 120.51 114.12 1ppx n ALA 118 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1ppx n ALA 118 Cb 0.13 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.73 2.74 -0.02 0.00 3.02 -0.93 -4.89 115.26 113.45 1ppx n ASN 119 Ca 0.01 -2.81 -0.16 0.00 -0.03 0.00 0.00 54.58 51.59 1ppx n ASN 119 Cb 0.06 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ppx h GLU 120 N 2.60 0.20 -1.04 3.52 4.81 -1.70 -2.95 114.58 120.02 1ppx h GLU 120 Ca 0.05 -0.22 0.31 0.00 -0.13 0.00 0.00 59.36 59.36 1ppx h GLU 120 Cb 1.26 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.57 1ppx h GLU 120 CO 0.48 0.96 0.62 -1.35 -0.73 0.00 0.00 179.01 178.98 1ppx h PRO 121 N -0.46 0.35 0.01 0.92 0.11 -1.90 1.49 132.00 132.53 1ppx h PRO 121 Ca -0.04 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1ppx h PRO 121 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ppx h PRO 121 CO 0.06 0.23 -0.18 0.28 -0.21 0.00 0.00 178.00 178.19 1ppx h VAL 122 N 0.37 1.63 0.00 3.15 2.07 -1.97 -3.29 116.25 118.21 1ppx h VAL 122 Ca 0.71 -2.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1ppx h VAL 122 Cb 1.65 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 34.41 1ppx h VAL 122 CO -0.52 0.56 -0.26 0.40 0.02 0.00 0.00 177.57 177.77 1ppx h ILE 123 N -0.69 1.18 -0.24 4.57 1.08 -0.94 -2.19 117.51 120.29 1ppx h ILE 123 Ca -0.03 -0.89 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1ppx h ILE 123 Cb 1.01 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1ppx h ILE 123 CO 0.03 0.25 0.17 0.00 -0.69 0.00 0.00 178.15 177.92 1ppx h ALA 124 N 1.74 2.21 0.10 1.87 0.00 0.20 1.74 119.26 127.12 1ppx h ALA 124 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ppx h ALA 124 Cb 0.46 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ppx h ALA 124 CO 0.03 -0.28 -0.57 -0.22 0.00 0.00 0.00 179.25 178.22 1ppx h LYS 125 N 0.01 0.21 0.00 0.00 3.11 -1.49 -3.18 116.57 115.22 1ppx h LYS 125 Ca 0.11 -0.35 -0.17 0.00 -2.81 0.00 0.00 60.65 57.43 1ppx h LYS 125 Cb 0.44 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1ppx h LYS 125 CO -0.00 1.17 -0.79 1.25 -2.81 0.00 0.00 179.45 178.26 1ppx h LEU 126 N -0.57 0.00 -0.59 5.20 7.12 -1.33 -3.27 115.31 121.87 1ppx h LEU 126 Ca -0.10 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.87 1ppx h LEU 126 Cb 1.44 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.55 1ppx h LEU 126 CO 0.10 0.79 0.20 0.50 -0.13 0.00 0.00 178.44 179.90 1ppx h LYS 127 N 0.00 0.91 0.00 1.25 3.64 0.25 -0.57 116.57 122.05 1ppx h LYS 127 Ca -0.01 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1ppx h LYS 127 Cb 1.52 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ppx h LYS 127 CO 0.10 0.81 0.00 -2.13 -2.27 0.00 0.00 179.45 175.96 1ppx n ARG 128 N -4.42 0.01 0.00 1.90 0.63 -1.20 -4.81 116.66 108.76 1ppx n ARG 128 Ca 0.03 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1ppx n ARG 128 Cb 0.20 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1ppx n ARG 128 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01