#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 4.49 -0.14 2.12 -2.85 -1.25 -4.99 119.74 117.11 1ppx s LYS 2 Ca 0.00 1.59 0.01 0.00 -1.00 0.00 0.00 55.97 56.57 1ppx s LYS 2 Cb 0.00 -3.42 0.02 0.00 -2.06 0.00 0.00 37.83 32.37 1ppx s LYS 2 CO 0.00 -0.17 -0.16 -1.59 0.10 0.00 0.00 175.35 173.53 1ppx s LYS 3 N 1.13 2.47 -0.19 1.78 -2.85 -1.26 -2.31 119.74 118.51 1ppx s LYS 3 Ca 0.55 -0.63 -0.04 0.00 -1.00 0.00 0.00 55.97 54.84 1ppx s LYS 3 Cb -0.25 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.34 1ppx s LYS 3 CO 0.28 -0.16 -0.02 -0.48 0.10 0.00 0.00 175.35 175.06 1ppx s LEU 4 N 1.25 3.15 0.08 2.77 0.05 0.28 -4.92 118.68 121.34 1ppx s LEU 4 Ca 0.01 -0.23 0.02 0.00 0.05 0.00 0.00 54.13 53.97 1ppx s LEU 4 Cb -0.14 -1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 42.18 1ppx s LEU 4 CO -0.08 0.07 0.16 -1.10 -0.55 0.00 0.00 176.35 174.85 1ppx s GLN 5 N 0.93 3.18 -0.03 1.48 -0.21 -1.26 -0.87 119.66 122.88 1ppx s GLN 5 Ca 0.00 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 1ppx s GLN 5 Cb -0.14 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.00 1ppx s GLN 5 CO 0.01 0.58 0.06 0.42 -2.12 0.00 0.00 175.29 174.25 1ppx s ILE 6 N -1.48 -0.05 -0.12 1.08 1.01 0.35 -3.61 121.20 118.39 1ppx s ILE 6 Ca 0.32 0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.16 1ppx s ILE 6 Cb -0.12 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.24 1ppx s ILE 6 CO 0.25 0.07 -0.17 0.00 0.00 0.00 0.00 174.94 175.10 1ppx s ALA 7 N 0.91 1.83 0.15 9.38 0.00 -0.79 -0.40 121.76 132.85 1ppx s ALA 7 Ca -0.07 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1ppx s ALA 7 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1ppx s ALA 7 CO -0.03 -0.10 -0.14 0.54 0.00 0.00 0.00 175.76 176.03 1ppx s VAL 8 N 1.00 1.46 -0.17 0.00 0.11 0.37 -3.85 120.40 119.32 1ppx s VAL 8 Ca -0.06 -1.92 -0.05 0.00 -2.93 0.00 0.00 61.98 57.02 1ppx s VAL 8 Cb -0.15 -1.75 0.08 0.00 -1.53 0.00 0.00 36.38 33.03 1ppx s VAL 8 CO -0.03 -0.51 0.31 -0.83 -3.33 0.00 0.00 175.10 170.72 1ppx s GLY 9 N -2.82 -0.20 -0.38 6.54 0.00 -1.25 0.11 107.32 109.32 1ppx s GLY 9 Ca 0.14 1.03 -0.28 0.00 0.00 0.00 0.00 44.72 45.61 1ppx s GLY 9 CO 0.04 2.17 1.70 -0.26 0.00 0.00 0.00 173.10 176.75 1ppx s ILE 10 N 2.48 3.58 0.06 0.90 -4.36 -0.98 -4.78 121.20 118.10 1ppx s ILE 10 Ca 0.02 0.57 -0.31 0.00 -0.26 0.00 0.00 60.65 60.68 1ppx s ILE 10 Cb -0.13 -3.83 -0.07 0.00 1.25 0.00 0.00 42.46 39.69 1ppx s ILE 10 CO -0.11 -0.56 1.35 -0.63 0.24 0.00 0.00 174.94 175.23 1ppx s ILE 11 N 6.67 3.61 -0.17 8.37 1.01 -1.26 -2.49 121.20 136.94 1ppx s ILE 11 Ca 0.73 1.11 -0.18 0.00 0.00 0.00 0.00 60.65 62.31 1ppx s ILE 11 Cb -0.19 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1ppx s ILE 11 CO 0.32 0.05 0.50 -0.13 0.00 0.00 0.00 174.94 175.69 1ppx s ARG 12 N 1.55 4.24 0.20 2.79 1.81 -1.25 -3.04 118.95 125.25 1ppx s ARG 12 Ca 0.63 0.43 -0.02 0.00 -1.72 0.00 0.00 55.73 55.05 1ppx s ARG 12 Cb -0.33 -3.52 0.04 0.00 -0.45 0.00 0.00 34.95 30.69 1ppx s ARG 12 CO 0.29 -0.04 0.27 -1.71 -0.68 0.00 0.00 175.30 173.42 1ppx n ASN 13 N 4.40 0.21 0.00 0.23 5.15 0.48 -2.89 115.26 122.83 1ppx n ASN 13 Ca -0.06 -1.21 0.14 0.00 -0.60 0.00 0.00 54.58 52.85 1ppx n ASN 13 Cb 0.51 -0.19 0.76 0.00 -0.53 0.00 0.00 39.78 40.33 1ppx n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ppx n GLU 14 N -1.53 0.63 -2.60 1.20 4.07 -1.26 -3.69 120.64 117.46 1ppx n GLU 14 Ca 0.04 0.02 -0.14 0.00 -0.06 0.00 0.00 57.16 57.01 1ppx n GLU 14 Cb 0.14 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.04 1ppx n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ppx n ASN 15 N -1.15 2.52 -2.33 4.31 2.85 -1.26 -4.94 115.26 115.26 1ppx n ASN 15 Ca 0.17 -3.00 -0.05 0.00 -0.11 0.00 0.00 54.58 51.59 1ppx n ASN 15 Cb 0.16 -0.50 -0.00 0.00 1.24 0.00 0.00 39.78 40.68 1ppx n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1ppx n ASN 16 N -0.24 -2.11 -4.44 1.20 6.94 -1.24 -4.90 115.26 110.48 1ppx n ASN 16 Ca 0.19 0.35 -0.29 0.00 -0.02 0.00 0.00 54.58 54.80 1ppx n ASN 16 Cb 0.78 -1.91 -0.12 0.00 -2.36 0.00 0.00 39.78 36.16 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 -4.72 1.62 0.08 -3.83 -1.05 -1.26 -4.58 118.70 104.95 1ppx s GLU 17 Ca 0.00 -1.25 0.10 0.00 -0.15 0.00 0.00 54.97 53.67 1ppx s GLU 17 Cb 0.00 -2.01 -0.03 0.00 -0.44 0.00 0.00 34.13 31.65 1ppx s GLU 17 CO 0.00 0.47 -0.26 -1.50 0.95 0.00 0.00 175.26 174.92 1ppx s ILE 18 N -1.08 2.15 -0.32 1.83 -1.16 0.44 0.18 121.20 123.24 1ppx s ILE 18 Ca 0.16 -1.52 -0.16 0.00 -0.51 0.00 0.00 60.65 58.61 1ppx s ILE 18 Cb -0.10 -1.87 -0.02 0.00 0.61 0.00 0.00 42.46 41.08 1ppx s ILE 18 CO 0.08 0.24 0.40 0.12 -2.81 0.00 0.00 174.94 172.97 1ppx s PHE 19 N -0.91 3.21 0.29 3.50 2.19 -1.17 -0.90 117.98 124.19 1ppx s PHE 19 Ca 0.12 0.15 0.08 0.00 0.33 0.00 0.00 56.93 57.61 1ppx s PHE 19 Cb -0.10 -2.71 -0.04 0.00 -1.31 0.00 0.00 43.02 38.87 1ppx s PHE 19 CO 0.04 -0.40 0.16 0.96 1.83 0.00 0.00 175.22 177.81 1ppx s ILE 20 N 2.13 3.74 -0.26 3.12 -4.36 -1.24 -4.50 121.20 119.83 1ppx s ILE 20 Ca 0.14 -1.57 -0.11 0.00 -0.26 0.00 0.00 60.65 58.86 1ppx s ILE 20 Cb -0.16 -3.15 -0.05 0.00 1.25 0.00 0.00 42.46 40.35 1ppx s ILE 20 CO 0.12 -0.28 0.18 0.28 0.24 0.00 0.00 174.94 175.47 1ppx s THR 21 N -2.27 5.33 0.25 8.37 -1.32 0.12 -3.83 115.64 122.29 1ppx s THR 21 Ca 0.35 0.18 0.07 0.00 -1.21 0.00 0.00 61.69 61.08 1ppx s THR 21 Cb -0.06 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 1ppx s THR 21 CO 0.24 0.30 0.18 -0.60 -2.21 0.00 0.00 174.62 172.52 1ppx s ARG 22 N 1.41 2.87 -0.77 7.08 3.52 -1.26 -0.48 118.95 131.33 1ppx s ARG 22 Ca 0.07 -1.08 -0.06 0.00 -0.13 0.00 0.00 55.73 54.54 1ppx s ARG 22 Cb -0.15 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 1ppx s ARG 22 CO 0.08 0.40 1.93 0.54 -0.81 0.00 0.00 175.30 177.44 1ppx n ARG 23 N -1.12 1.73 0.00 5.12 5.12 -1.26 -4.71 116.66 121.54 1ppx n ARG 23 Ca -0.08 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.51 1ppx n ARG 23 Cb 0.58 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.47 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 4.55 0.00 -2.91 7.54 0.00 -1.26 -3.43 120.51 125.00 1ppx n ALA 24 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.82 1ppx n ALA 24 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1ppx n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppx s ALA 25 N -1.00 -3.38 0.06 0.00 0.00 -1.26 -5.11 121.76 111.08 1ppx s ALA 25 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1ppx s ALA 25 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1ppx s ALA 25 CO 0.00 -2.37 0.00 -0.25 0.00 0.00 0.00 175.76 173.14 1ppx n ASP 26 N 3.66 -6.21 -1.98 0.00 9.92 -1.22 -4.84 116.55 115.89 1ppx n ASP 26 Ca 0.10 0.29 -0.19 0.00 -0.53 0.00 0.00 54.79 54.46 1ppx n ASP 26 Cb 0.60 -0.82 -0.05 0.00 -0.64 0.00 0.00 41.12 40.22 1ppx n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ppx n ALA 27 N -0.43 -0.47 0.00 2.24 0.00 -1.26 -4.64 120.51 115.96 1ppx n ALA 27 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ppx n ALA 27 Cb 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -3.07 0.00 -2.64 0.00 -0.00 -1.26 -5.06 115.22 103.19 1ppx n HIS 28 Ca -0.21 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 57.93 1ppx n HIS 28 Cb 0.65 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.53 1ppx n HIS 28 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1ppx n MET 29 N 0.00 -2.46 0.00 1.57 0.00 -1.26 -4.86 117.12 110.11 1ppx n MET 29 Ca 0.00 2.15 0.06 0.00 -0.00 0.00 0.00 57.70 59.91 1ppx n MET 29 Cb 0.00 -5.05 0.29 0.00 0.00 0.00 0.00 33.22 28.46 1ppx n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ppx n ALA 30 N 0.03 1.64 -0.15 -5.12 0.00 -1.26 -2.59 120.51 113.06 1ppx n ALA 30 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1ppx n ALA 30 Cb 0.25 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 18.68 1ppx n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 31 N -1.44 3.64 -0.86 0.00 5.03 -1.26 -4.02 115.26 116.34 1ppx n ASN 31 Ca 0.04 -2.66 0.02 0.00 0.87 0.00 0.00 54.58 52.86 1ppx n ASN 31 Cb 0.14 -0.63 0.21 0.00 -1.02 0.00 0.00 39.78 38.47 1ppx n ASN 31 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ppx n LYS 32 N 0.11 1.98 -1.54 3.52 5.02 -0.61 -3.14 118.16 123.51 1ppx n LYS 32 Ca 0.22 -3.04 -0.26 0.00 -2.02 0.00 0.00 58.31 53.21 1ppx n LYS 32 Cb 0.91 -1.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.08 1ppx n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ppx n LEU 33 N -1.02 1.23 0.00 -0.35 0.00 0.30 -4.28 117.00 112.88 1ppx n LEU 33 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 56.01 55.47 1ppx n LEU 33 Cb 0.90 -1.35 0.00 0.00 0.00 0.00 0.00 43.42 42.96 1ppx n LEU 33 CO 0.12 -1.85 0.00 1.21 0.00 0.00 0.00 177.39 176.88 1ppx n GLU 34 N 8.29 2.29 -4.51 1.96 2.13 0.37 -3.70 120.64 127.48 1ppx n GLU 34 Ca 0.50 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.07 1ppx n GLU 34 Cb 0.37 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.97 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 0.39 2.37 1.09 4.31 0.40 -1.26 0.12 117.98 125.40 1ppx s PHE 35 Ca 0.00 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 1ppx s PHE 35 Cb 0.00 -1.24 0.24 0.00 0.51 0.00 0.00 43.02 42.54 1ppx s PHE 35 CO 0.00 0.63 1.06 -1.25 0.70 0.00 0.00 175.22 176.36 1ppx s PRO 36 N -3.58 -0.33 0.00 0.24 0.04 -1.26 -4.79 135.00 125.32 1ppx s PRO 36 Ca 0.32 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1ppx s PRO 36 Cb -0.01 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1ppx s PRO 36 CO 0.16 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.28 1ppx n GLY 37 N 0.22 0.81 3.28 0.56 0.00 -1.25 -3.82 105.19 104.98 1ppx n GLY 37 Ca 0.04 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 1.22 0.00 -0.02 0.00 -1.26 -1.88 107.32 103.72 1ppx s GLY 38 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1ppx s GLY 38 CO 0.00 -0.80 0.00 1.17 0.00 0.00 0.00 173.10 173.47 1ppx n LYS 39 N 2.63 0.00 0.14 2.90 4.81 -1.26 -4.94 118.16 122.43 1ppx n LYS 39 Ca -0.16 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.45 1ppx n LYS 39 Cb 0.52 -1.06 0.76 0.00 0.02 0.00 0.00 35.03 35.27 1ppx n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1ppx h ILE 40 N 0.00 0.56 0.00 3.15 3.07 -1.83 -3.23 117.51 119.24 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 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 1ppx h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1ppx n GLU 41 N -4.00 0.00 0.00 0.16 0.28 -1.24 -4.15 120.64 111.70 1ppx n GLU 41 Ca 0.04 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 1ppx n GLU 41 Cb 0.43 -0.78 0.00 0.00 1.43 0.00 0.00 31.44 32.52 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 -0.50 0.00 -1.02 3.44 2.81 -1.22 -2.12 117.12 118.51 1ppx n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 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 -0.07 2.00 3.03 0.00 -1.26 -5.15 105.19 103.74 1ppx n GLY 43 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.15 0.04 -3.96 1.61 1.02 -0.90 -5.08 120.64 113.22 1ppx n GLU 44 Ca -0.09 -1.33 -0.26 0.00 -0.02 0.00 0.00 57.16 55.46 1ppx n GLU 44 Cb 0.47 -0.42 -0.03 0.00 -0.02 0.00 0.00 31.44 31.44 1ppx n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ppx s THR 45 N -1.71 5.26 0.61 2.62 2.01 -1.26 -4.76 115.64 118.41 1ppx s THR 45 Ca 0.35 -0.73 0.26 0.00 0.31 0.00 0.00 61.69 61.88 1ppx s THR 45 Cb -0.02 -3.71 0.37 0.00 0.01 0.00 0.00 72.50 69.15 1ppx s THR 45 CO 0.24 -0.10 1.51 1.55 -0.69 0.00 0.00 174.62 177.12 1ppx h PRO 46 N 2.11 0.00 0.00 4.92 0.13 -1.99 1.20 132.00 138.37 1ppx h PRO 46 Ca -0.49 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.32 1ppx h PRO 46 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1ppx h PRO 46 CO 0.68 0.00 -2.19 0.39 -0.23 0.00 0.00 178.00 176.65 1ppx n GLU 47 N -3.34 0.51 0.21 0.86 1.02 -1.26 -4.54 120.64 114.10 1ppx n GLU 47 Ca 0.16 0.13 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 1ppx n GLU 47 Cb 1.18 -1.39 0.25 0.00 -0.02 0.00 0.00 31.44 31.46 1ppx n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ppx h GLN 48 N -0.13 0.00 -0.29 3.49 1.08 -1.57 -3.13 115.11 114.56 1ppx h GLN 48 Ca -0.48 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.74 1ppx h GLN 48 Cb 1.68 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.08 1ppx h GLN 48 CO -0.12 0.00 0.13 0.00 -0.95 0.00 0.00 178.83 177.90 1ppx h ALA 49 N 2.07 0.35 0.06 3.87 0.00 0.12 0.08 119.26 125.81 1ppx h ALA 49 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ppx h ALA 49 Cb 0.91 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ppx h ALA 49 CO 0.00 -0.26 -0.52 -0.39 0.00 0.00 0.00 179.25 178.08 1ppx h VAL 50 N 0.29 1.54 -0.88 0.00 -1.51 -1.78 -2.79 116.25 111.11 1ppx h VAL 50 Ca 0.12 -2.27 0.15 0.00 -1.23 0.00 0.00 66.70 63.46 1ppx h VAL 50 Cb 0.05 3.00 -0.07 0.00 -2.13 0.00 0.00 31.29 32.14 1ppx h VAL 50 CO -0.09 0.64 0.57 0.58 -1.23 0.00 0.00 177.57 178.03 1ppx h VAL 51 N -0.43 0.82 0.03 7.19 2.07 -1.48 1.01 116.25 125.46 1ppx h VAL 51 Ca -0.08 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ppx h VAL 51 Cb 1.33 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ppx h VAL 51 CO 0.10 0.12 -0.01 0.03 0.02 0.00 0.00 177.57 177.83 1ppx h ARG 52 N 0.66 -0.03 0.00 1.57 2.47 -1.06 -3.27 114.38 114.71 1ppx h ARG 52 Ca 0.45 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.15 1ppx h ARG 52 Cb 0.75 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1ppx h ARG 52 CO -0.20 0.67 -0.07 0.93 0.56 0.00 0.00 179.97 181.86 1ppx h GLU 53 N -0.91 0.00 -0.66 0.04 4.39 -1.18 -2.79 114.58 113.48 1ppx h GLU 53 Ca -0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1ppx h GLU 53 Cb 0.72 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 1ppx h GLU 53 CO 0.01 0.07 0.30 1.25 -1.16 0.00 0.00 179.01 179.47 1ppx h LEU 54 N 0.00 0.36 -1.54 1.33 5.85 0.10 0.44 115.31 121.85 1ppx h LEU 54 Ca -0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1ppx h LEU 54 Cb 0.29 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ppx h LEU 54 CO 0.01 0.21 -0.24 1.56 -0.34 0.00 0.00 178.44 179.64 1ppx h GLN 55 N 0.51 0.00 0.00 1.25 1.08 -1.62 0.43 115.11 116.77 1ppx h GLN 55 Ca 0.33 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.43 1ppx h GLN 55 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1ppx h GLN 55 CO -0.28 0.24 -0.46 1.49 -0.95 0.00 0.00 178.83 178.87 1ppx h GLU 56 N 0.00 0.00 -0.06 1.46 4.22 -0.41 0.57 114.58 120.36 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 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ppx h GLU 56 CO 0.03 0.46 0.00 0.39 -2.18 0.00 0.00 179.01 177.71 1ppx n GLU 57 N -3.32 1.10 0.00 1.92 -0.58 0.11 0.30 120.64 120.17 1ppx n GLU 57 Ca 0.01 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 1ppx n GLU 57 Cb 0.66 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 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 0.77 0.00 0.00 2.62 0.31 0.14 -4.03 118.33 118.14 1ppx n VAL 58 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1ppx n VAL 58 Cb 0.36 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.86 2.22 2.92 0.00 0.20 0.66 105.19 114.02 1ppx n GLY 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 -3.74 -0.61 -5.35 -1.26 -4.88 119.36 103.52 1ppx n ILE 60 Ca 0.00 -0.51 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1ppx n ILE 60 Cb 0.00 -1.58 -0.10 0.00 -1.74 0.00 0.00 39.64 36.22 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 -2.59 3.65 0.01 7.28 -4.23 -1.26 -4.92 115.64 113.58 1ppx s THR 61 Ca 0.44 -3.14 0.03 0.00 -1.18 0.00 0.00 61.69 57.84 1ppx s THR 61 Cb -0.02 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1ppx s THR 61 CO 0.31 -0.90 -0.03 -2.16 -0.54 0.00 0.00 174.62 171.30 1ppx s PRO 62 N -0.27 2.63 -1.24 3.99 0.04 -1.26 -3.23 135.00 135.65 1ppx s PRO 62 Ca 0.18 -0.70 -0.20 0.00 0.04 0.00 0.00 61.00 60.32 1ppx s PRO 62 Cb -0.19 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1ppx s PRO 62 CO -0.04 0.60 1.84 1.04 0.04 0.00 0.00 177.00 180.48 1ppx n GLN 63 N 1.36 2.38 -5.19 4.56 6.02 -0.08 -4.86 117.38 121.58 1ppx n GLN 63 Ca -0.15 -2.86 -0.30 0.00 -0.01 0.00 0.00 57.00 53.68 1ppx n GLN 63 Cb 0.53 -3.62 -0.16 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 7.72 2.24 -0.10 1.08 2.46 -1.24 -0.64 115.29 126.81 1ppx s HIS 64 Ca 0.61 -0.58 0.00 0.00 0.47 0.00 0.00 55.06 55.56 1ppx s HIS 64 Cb 0.02 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.00 1ppx s HIS 64 CO 0.11 -0.15 0.00 0.34 -2.47 0.00 0.00 174.74 172.57 1ppx n PHE 65 N 2.81 0.00 -1.38 3.88 7.35 -1.25 -4.95 117.46 123.92 1ppx n PHE 65 Ca -0.17 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.64 1ppx n PHE 65 Cb 0.52 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.28 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 -6.99 -4.03 -2.13 2.88 -1.24 -2.60 113.62 99.51 1ppx n SER 66 Ca 0.00 1.37 -0.32 0.00 -1.33 0.00 0.00 58.87 58.59 1ppx n SER 66 Cb 0.00 -4.62 -0.15 0.00 -0.75 0.00 0.00 64.21 58.69 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 -6.65 3.41 0.04 2.46 0.20 -1.26 -0.24 118.68 116.63 1ppx s LEU 67 Ca 0.00 -1.45 -0.17 0.00 0.69 0.00 0.00 54.13 53.20 1ppx s LEU 67 Cb 0.00 -1.47 -0.25 0.00 -0.43 0.00 0.00 46.19 44.04 1ppx s LEU 67 CO 0.00 -0.22 1.12 0.15 -0.29 0.00 0.00 176.35 177.11 1ppx h PHE 68 N 7.79 0.84 -1.87 5.38 3.04 -1.50 -3.43 116.94 127.20 1ppx h PHE 68 Ca -0.17 -0.48 0.18 0.00 3.98 0.00 0.00 57.97 61.49 1ppx h PHE 68 Cb 1.04 -0.09 -0.17 0.00 2.56 0.00 0.00 35.95 39.30 1ppx h PHE 68 CO 0.59 1.31 0.65 -2.00 -2.02 0.00 0.00 178.31 176.85 1ppx s GLU 69 N -3.17 0.57 -0.06 1.11 2.12 0.65 -4.99 118.70 114.93 1ppx s GLU 69 Ca -0.11 -0.21 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1ppx s GLU 69 Cb 0.05 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1ppx s GLU 69 CO 0.88 -0.25 0.14 -1.59 -0.54 0.00 0.00 175.26 173.90 1ppx s LYS 70 N -2.77 0.09 -0.04 4.30 0.00 -1.26 0.12 119.74 120.18 1ppx s LYS 70 Ca 0.07 0.33 0.06 0.00 0.00 0.00 0.00 55.97 56.44 1ppx s LYS 70 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 37.83 37.66 1ppx s LYS 70 CO -0.07 -0.15 -0.22 -1.17 0.00 0.00 0.00 175.35 173.75 1ppx s LEU 71 N 1.02 2.02 -0.24 2.77 2.96 0.12 -4.95 118.68 122.37 1ppx s LEU 71 Ca -0.08 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1ppx s LEU 71 Cb -0.10 -1.18 0.06 0.00 0.50 0.00 0.00 46.19 45.47 1ppx s LEU 71 CO -0.05 0.23 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.46 1ppx s GLU 72 N -0.25 1.60 0.11 1.98 2.12 -1.26 -0.81 118.70 122.19 1ppx s GLU 72 Ca 0.01 -0.99 0.06 0.00 0.36 0.00 0.00 54.97 54.41 1ppx s GLU 72 Cb -0.11 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1ppx s GLU 72 CO 0.01 -0.61 -0.16 -0.47 -0.54 0.00 0.00 175.26 173.50 1ppx s TYR 73 N 1.40 1.48 -0.07 5.30 5.04 -1.04 -5.03 117.35 124.42 1ppx s TYR 73 Ca -0.05 -0.50 0.05 0.00 -2.44 0.00 0.00 57.07 54.12 1ppx s TYR 73 Cb -0.19 -0.78 -0.00 0.00 0.35 0.00 0.00 41.96 41.33 1ppx s TYR 73 CO -0.06 0.16 -0.23 -1.83 -1.34 0.00 0.00 175.55 172.25 1ppx s GLU 74 N -2.39 2.62 0.35 4.97 -1.05 -1.26 -1.21 118.70 120.73 1ppx s GLU 74 Ca 0.07 -0.83 0.03 0.00 -0.15 0.00 0.00 54.97 54.09 1ppx s GLU 74 Cb -0.07 -2.10 -0.02 0.00 -0.44 0.00 0.00 34.13 31.50 1ppx s GLU 74 CO 0.04 0.26 0.52 -0.06 0.95 0.00 0.00 175.26 176.97 1ppx s PHE 75 N 0.13 3.29 -0.37 4.83 0.40 0.30 -4.90 117.98 121.65 1ppx s PHE 75 Ca -0.11 0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.20 1ppx s PHE 75 Cb -0.15 -1.99 -0.09 0.00 0.51 0.00 0.00 43.02 41.30 1ppx s PHE 75 CO 0.06 0.00 1.40 -0.35 0.70 0.00 0.00 175.22 177.03 1ppx n PRO 76 N -1.75 0.04 -0.71 0.24 -0.04 -1.26 0.93 135.00 132.43 1ppx n PRO 76 Ca -0.02 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1ppx n PRO 76 Cb 0.57 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1ppx n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ppx n ASP 77 N 9.45 -2.14 -3.58 3.54 -0.08 -1.26 -5.02 116.55 117.45 1ppx n ASP 77 Ca 0.15 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.14 1ppx n ASP 77 Cb 0.48 -0.36 -0.14 0.00 2.34 0.00 0.00 41.12 43.44 1ppx n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1ppx s ARG 78 N -0.50 0.46 -0.50 -0.67 3.52 0.26 -3.96 118.95 117.57 1ppx s ARG 78 Ca 0.00 -0.92 -0.28 0.00 -0.13 0.00 0.00 55.73 54.39 1ppx s ARG 78 Cb 0.00 -1.47 0.01 0.00 -1.56 0.00 0.00 34.95 31.93 1ppx s ARG 78 CO 0.00 -1.06 1.47 -1.58 -0.81 0.00 0.00 175.30 173.32 1ppx s HIS 79 N 1.65 2.24 -0.31 5.12 2.46 -0.98 0.11 115.29 125.59 1ppx s HIS 79 Ca 0.12 0.57 -0.11 0.00 0.47 0.00 0.00 55.06 56.10 1ppx s HIS 79 Cb -0.18 -4.33 -0.02 0.00 -0.13 0.00 0.00 32.58 27.92 1ppx s HIS 79 CO -0.24 -2.06 0.19 -1.50 -2.47 0.00 0.00 174.74 168.65 1ppx s ILE 80 N 6.14 4.95 -0.16 0.89 2.07 -0.35 0.10 121.20 134.84 1ppx s ILE 80 Ca 0.58 -0.24 -0.07 0.00 -1.41 0.00 0.00 60.65 59.51 1ppx s ILE 80 Cb -0.12 -3.50 -0.04 0.00 0.13 0.00 0.00 42.46 38.93 1ppx s ILE 80 CO 0.28 0.08 0.07 -0.89 -1.91 0.00 0.00 174.94 172.57 1ppx s THR 81 N 1.68 4.88 -0.19 4.00 2.01 -0.05 -2.50 115.64 125.46 1ppx s THR 81 Ca 0.06 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1ppx s THR 81 Cb -0.17 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.21 1ppx s THR 81 CO 0.08 0.50 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.21 1ppx s LEU 82 N 0.03 2.05 -0.22 4.42 1.98 0.01 0.13 118.68 127.08 1ppx s LEU 82 Ca 0.06 -0.82 -0.06 0.00 -2.89 0.00 0.00 54.13 50.42 1ppx s LEU 82 Cb -0.12 -1.11 -0.03 0.00 0.66 0.00 0.00 46.19 45.59 1ppx s LEU 82 CO 0.01 -0.16 0.04 0.26 -1.89 0.00 0.00 176.35 174.61 1ppx s TRP 83 N 1.48 3.10 -0.37 5.38 0.51 0.47 0.11 118.94 129.62 1ppx s TRP 83 Ca -0.01 -0.32 -0.10 0.00 -2.12 0.00 0.00 56.10 53.55 1ppx s TRP 83 Cb -0.16 -2.15 0.03 0.00 -0.81 0.00 0.00 33.47 30.38 1ppx s TRP 83 CO -0.08 -0.21 0.18 -0.06 -0.51 0.00 0.00 176.95 176.28 1ppx s PHE 84 N 1.13 3.25 0.10 -1.98 0.40 0.32 0.14 117.98 121.34 1ppx s PHE 84 Ca 0.04 -1.11 -0.03 0.00 -0.60 0.00 0.00 56.93 55.22 1ppx s PHE 84 Cb -0.14 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.93 1ppx s PHE 84 CO 0.03 -0.68 0.31 -1.58 0.70 0.00 0.00 175.22 173.99 1ppx s TRP 85 N 1.51 3.50 -0.50 0.36 0.52 0.29 -0.26 118.94 124.36 1ppx s TRP 85 Ca 0.01 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 56.42 1ppx s TRP 85 Cb -0.19 -1.92 0.10 0.00 -1.15 0.00 0.00 33.47 30.30 1ppx s TRP 85 CO 0.05 0.51 0.45 -1.17 0.02 0.00 0.00 176.95 176.81 1ppx s LEU 86 N -2.50 5.87 0.28 2.99 2.96 0.67 -2.32 118.68 126.63 1ppx s LEU 86 Ca 0.37 -1.53 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 1ppx s LEU 86 Cb -0.13 -2.20 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 1ppx s LEU 86 CO 0.25 -0.75 0.79 -0.69 -1.32 0.00 0.00 176.35 174.63 1ppx s VAL 87 N 1.64 4.51 -0.05 1.68 1.01 -1.04 -3.64 120.40 124.51 1ppx s VAL 87 Ca 0.04 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.41 1ppx s VAL 87 Cb -0.27 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1ppx s VAL 87 CO 0.05 0.06 0.07 -1.84 0.00 0.00 0.00 175.10 173.44 1ppx n GLU 88 N 0.34 1.97 -3.45 2.72 0.28 -1.13 -3.75 120.64 117.61 1ppx n GLU 88 Ca 0.01 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.16 56.87 1ppx n GLU 88 Cb 0.52 -1.17 -0.02 0.00 1.43 0.00 0.00 31.44 32.20 1ppx n GLU 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1ppx s ARG 89 N -2.28 1.10 -0.19 3.44 3.52 0.18 -4.52 118.95 120.21 1ppx s ARG 89 Ca -0.03 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.09 1ppx s ARG 89 Cb 0.03 0.51 0.07 0.00 -1.56 0.00 0.00 34.95 34.00 1ppx s ARG 89 CO 0.28 -0.48 0.43 1.67 -0.81 0.00 0.00 175.30 176.39 1ppx s TRP 90 N -3.46 -0.71 0.41 5.12 -2.14 -1.14 -0.91 118.94 116.11 1ppx s TRP 90 Ca 0.02 1.43 -0.24 0.00 2.66 0.00 0.00 56.10 59.97 1ppx s TRP 90 Cb -0.01 0.30 -0.09 0.00 -3.10 0.00 0.00 33.47 30.57 1ppx s TRP 90 CO -0.11 -0.41 1.07 -1.21 -2.66 0.00 0.00 176.95 173.63 1ppx s GLU 91 N 1.91 4.11 6.46 3.25 2.02 -1.20 -4.76 118.70 130.49 1ppx s GLU 91 Ca -0.06 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.48 1ppx s GLU 91 Cb -0.10 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1ppx s GLU 91 CO -0.13 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1ppx n GLY 92 N 0.35 3.81 3.04 -1.39 0.00 -1.26 -4.59 105.19 105.14 1ppx n GLY 92 Ca 0.05 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 1ppx n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ppx s GLU 93 N 0.00 0.55 0.01 1.61 2.12 -1.26 -5.11 118.70 116.63 1ppx s GLU 93 Ca 0.00 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1ppx s GLU 93 Cb 0.00 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.91 1ppx s GLU 93 CO 0.00 0.10 1.12 -2.14 -0.54 0.00 0.00 175.26 173.81 1ppx s PRO 94 N -0.99 4.45 0.12 4.30 0.02 -1.26 -4.63 135.00 137.01 1ppx s PRO 94 Ca -0.04 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1ppx s PRO 94 Cb -0.07 -3.43 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 0.00 177.00 173.77 1ppx n TRP 95 N 4.22 -0.80 0.00 6.54 4.27 0.21 -4.94 117.44 126.94 1ppx n TRP 95 Ca 0.08 0.14 0.00 0.00 -3.89 0.00 0.00 57.50 53.84 1ppx n TRP 95 Cb 0.48 0.29 0.00 0.00 -1.36 0.00 0.00 31.31 30.72 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 2.46 1.35 0.00 -1.67 0.00 0.13 -4.30 105.19 103.15 1ppx n GLY 96 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.05 1.61 4.81 0.89 -4.75 118.16 120.76 1ppx n LYS 97 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1ppx n LYS 97 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 1ppx n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1ppx h GLU 98 N 0.00 0.28 0.00 1.64 4.11 -1.75 -3.44 114.58 115.41 1ppx h GLU 98 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1ppx h GLU 98 Cb 0.00 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ppx h GLU 98 CO 0.00 1.14 0.00 0.41 0.07 0.00 0.00 179.01 180.63 1ppx n GLY 99 N 1.78 1.26 2.52 1.06 0.00 -1.26 -5.01 105.19 105.55 1ppx n GLY 99 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 0.29 0.40 1.61 1.11 -1.26 -5.02 119.66 116.79 1ppx s GLN 100 Ca 0.00 -0.76 -0.22 0.00 0.01 0.00 0.00 55.36 54.38 1ppx s GLN 100 Cb 0.00 -1.19 -0.14 0.00 -1.01 0.00 0.00 33.01 30.67 1ppx s GLN 100 CO 0.00 -1.08 0.39 -2.30 0.01 0.00 0.00 175.29 172.32 1ppx n PRO 101 N 4.89 0.34 -4.40 2.91 -0.02 -1.26 -4.44 135.00 133.02 1ppx n PRO 101 Ca -0.01 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1ppx n PRO 101 Cb 0.41 -1.30 -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 2.36 0.04 -1.23 0.00 -1.26 -4.08 107.32 102.19 1ppx s GLY 102 Ca 0.62 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 1ppx s GLY 102 CO 0.60 -1.66 -0.00 1.85 0.00 0.00 0.00 173.10 173.88 1ppx s GLU 103 N -3.68 0.56 -0.44 2.90 2.56 -1.25 -4.99 118.70 114.36 1ppx s GLU 103 Ca 0.32 -1.03 -0.28 0.00 0.00 0.00 0.00 54.97 53.98 1ppx s GLU 103 Cb 0.03 0.20 -0.01 0.00 2.00 0.00 0.00 34.13 36.35 1ppx s GLU 103 CO 0.19 -0.11 1.72 -1.58 -0.56 0.00 0.00 175.26 174.92 1ppx s TRP 104 N -3.28 1.90 0.33 5.30 0.51 -1.26 -3.61 118.94 118.82 1ppx s TRP 104 Ca 0.01 0.67 0.10 0.00 -2.12 0.00 0.00 56.10 54.76 1ppx s TRP 104 Cb 0.03 -4.17 -0.06 0.00 -0.81 0.00 0.00 33.47 28.46 1ppx s TRP 104 CO -0.08 -2.53 -0.12 -1.64 -0.51 0.00 0.00 176.95 172.07 1ppx s MET 105 N 5.93 1.78 -0.12 4.98 -1.94 -0.08 -4.90 119.30 124.95 1ppx s MET 105 Ca 0.71 -1.89 -0.21 0.00 -1.71 0.00 0.00 55.69 52.59 1ppx s MET 105 Cb -0.17 -1.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1ppx s MET 105 CO 0.29 0.19 0.61 -1.54 -0.01 0.00 0.00 175.02 174.56 1ppx s SER 106 N -3.58 6.80 0.41 3.03 1.04 -1.26 0.17 113.70 120.30 1ppx s SER 106 Ca 0.32 0.96 0.25 0.00 0.48 0.00 0.00 55.95 57.96 1ppx s SER 106 Cb 0.00 -2.35 0.57 0.00 0.10 0.00 0.00 66.02 64.34 1ppx s SER 106 CO 0.16 -0.13 1.69 0.25 0.98 0.00 0.00 173.24 176.19 1ppx h LEU 107 N 7.19 0.00 -1.66 2.42 5.85 -1.84 -3.27 115.31 124.01 1ppx h LEU 107 Ca -0.38 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.49 1ppx h LEU 107 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1ppx h LEU 107 CO 0.76 0.00 0.67 0.58 -0.34 0.00 0.00 178.44 180.11 1ppx h VAL 108 N 0.00 0.21 -0.71 1.05 2.07 -1.92 0.98 116.25 117.93 1ppx h VAL 108 Ca 0.00 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 67.00 1ppx h VAL 108 Cb 0.87 0.45 -0.41 0.00 -1.52 0.00 0.00 31.29 30.68 1ppx h VAL 108 CO 0.00 0.00 -0.82 0.61 0.02 0.00 0.00 177.57 177.38 1ppx n GLY 109 N -1.52 6.20 3.78 2.17 0.00 -1.23 -4.98 105.19 109.59 1ppx n GLY 109 Ca 0.11 -2.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.59 4.35 -0.06 0.99 0.20 0.34 -5.01 118.68 115.91 1ppx s LEU 110 Ca 0.50 2.93 0.05 0.00 0.69 0.00 0.00 54.13 58.29 1ppx s LEU 110 Cb 0.41 -3.66 -0.01 0.00 -0.43 0.00 0.00 46.19 42.50 1ppx s LEU 110 CO 0.03 -0.76 -0.21 0.20 -0.29 0.00 0.00 176.35 175.33 1ppx s ASN 111 N -0.27 2.60 0.28 3.68 -0.87 -1.26 -4.91 114.94 114.20 1ppx s ASN 111 Ca 0.51 -0.44 0.25 0.00 -1.57 0.00 0.00 52.86 51.62 1ppx s ASN 111 Cb -0.44 -0.79 0.97 0.00 -0.02 0.00 0.00 41.25 40.97 1ppx s ASN 111 CO 0.60 0.19 1.75 0.00 -2.57 0.00 0.00 177.10 177.06 1ppx h ALA 112 N 6.26 1.00 0.02 0.60 0.00 -1.95 -2.91 119.26 122.27 1ppx h ALA 112 Ca -0.31 0.00 -0.03 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 18.98 1ppx h ALA 112 CO 0.47 0.00 -0.12 0.22 0.00 0.00 0.00 179.25 179.83 1ppx h ASP 113 N 0.00 0.07 -0.23 0.00 3.58 -1.94 -3.35 116.42 114.55 1ppx h ASP 113 Ca 0.00 -0.94 -0.10 0.00 0.42 0.00 0.00 57.03 56.41 1ppx h ASP 113 Cb 0.47 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1ppx h ASP 113 CO 0.00 1.01 -0.18 -2.24 -2.88 0.00 0.00 179.24 174.96 1ppx h ASP 114 N -0.85 0.66 -3.99 2.28 2.03 -1.80 -3.44 116.42 111.31 1ppx h ASP 114 Ca -0.02 -0.21 -0.46 0.00 -0.73 0.00 0.00 57.03 55.61 1ppx h ASP 114 Cb 1.04 -0.18 0.11 0.00 -0.83 0.00 0.00 39.33 39.47 1ppx h ASP 114 CO 0.02 0.85 0.33 0.72 -1.03 0.00 0.00 179.24 180.13 1ppx s PHE 115 N -4.66 2.48 0.03 4.15 -0.71 -1.10 0.11 117.98 118.28 1ppx s PHE 115 Ca -0.08 0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 55.96 1ppx s PHE 115 Cb 0.14 -3.52 -0.05 0.00 -1.21 0.00 0.00 43.02 38.37 1ppx s PHE 115 CO 0.81 -1.88 1.28 -1.25 -1.34 0.00 0.00 175.22 172.84 1ppx s PRO 116 N -5.52 4.36 0.32 1.99 0.04 -1.19 -4.38 135.00 130.63 1ppx s PRO 116 Ca 0.65 1.85 0.21 0.00 0.04 0.00 0.00 61.00 63.75 1ppx s PRO 116 Cb -0.09 -3.43 1.16 0.00 0.04 0.00 0.00 34.50 32.18 1ppx s PRO 116 CO 0.48 -0.41 1.66 -0.35 0.04 0.00 0.00 177.00 178.42 1ppx n PRO 117 N 4.57 0.14 0.00 0.56 -0.04 -1.26 -2.16 135.00 136.80 1ppx n PRO 117 Ca 0.11 0.63 0.05 0.00 -0.04 0.00 0.00 63.50 64.25 1ppx n PRO 117 Cb 0.45 -1.95 0.21 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 -1.78 1.46 -2.48 0.55 0.00 -1.26 -2.89 120.51 114.11 1ppx n ALA 118 Ca -0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1ppx n ALA 118 Cb 0.04 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.36 1ppx n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppx n ASN 119 N -1.49 3.10 -0.04 0.00 4.13 -0.92 -4.88 115.26 115.17 1ppx n ASN 119 Ca 0.03 -2.91 -0.14 0.00 1.68 0.00 0.00 54.58 53.23 1ppx n ASN 119 Cb 0.11 -0.43 -0.11 0.00 -1.54 0.00 0.00 39.78 37.81 1ppx n ASN 119 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1ppx h GLU 120 N 2.50 0.02 -1.31 3.52 4.39 -1.72 -3.03 114.58 118.95 1ppx h GLU 120 Ca 0.10 -0.02 0.39 0.00 0.34 0.00 0.00 59.36 60.17 1ppx h GLU 120 Cb 1.32 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.88 1ppx h GLU 120 CO 0.50 0.74 0.88 -1.35 -1.16 0.00 0.00 179.01 178.62 1ppx h PRO 121 N -0.69 0.13 0.01 2.33 0.11 -1.89 1.19 132.00 133.19 1ppx h PRO 121 Ca -0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1ppx h PRO 121 Cb 0.74 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1ppx h PRO 121 CO 0.00 0.09 -0.15 0.28 -0.21 0.00 0.00 178.00 178.01 1ppx h VAL 122 N 0.13 1.64 -0.12 3.15 2.07 -1.96 -3.30 116.25 117.87 1ppx h VAL 122 Ca 0.72 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 1ppx h VAL 122 Cb 2.39 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 35.17 1ppx h VAL 122 CO -0.24 0.56 -0.26 0.40 0.02 0.00 0.00 177.57 178.05 1ppx h ILE 123 N -0.72 1.24 -0.37 4.57 1.08 -0.61 -2.37 117.51 120.33 1ppx h ILE 123 Ca -0.02 -1.10 0.11 0.00 -0.39 0.00 0.00 64.86 63.45 1ppx h ILE 123 Cb 1.00 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 1ppx h ILE 123 CO 0.03 0.33 0.35 0.00 -0.69 0.00 0.00 178.15 178.17 1ppx h ALA 124 N 1.55 2.12 0.00 1.87 0.00 0.12 1.62 119.26 126.54 1ppx h ALA 124 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ppx h ALA 124 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ppx h ALA 124 CO 0.04 -0.54 -0.00 -0.22 0.00 0.00 0.00 179.25 178.53 1ppx h LYS 125 N 0.00 -0.01 0.00 0.00 1.63 -1.53 -3.31 116.57 113.35 1ppx h LYS 125 Ca 0.17 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.79 1ppx h LYS 125 Cb 0.87 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 1ppx h LYS 125 CO -0.00 0.67 -0.88 1.37 -3.45 0.00 0.00 179.45 177.16 1ppx h LEU 126 N -0.99 0.00 -0.81 5.20 -0.00 -1.44 -3.28 115.31 113.98 1ppx h LEU 126 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1ppx h LEU 126 Cb 0.68 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.27 1ppx h LEU 126 CO 0.00 0.88 0.46 0.50 -0.00 0.00 0.00 178.44 180.28 1ppx h LYS 127 N 0.00 0.75 0.00 0.17 3.64 0.22 0.83 116.57 122.18 1ppx h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ppx h LYS 127 Cb 1.59 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1ppx h LYS 127 CO 0.11 0.50 0.00 -2.13 -2.27 0.00 0.00 179.45 175.66 1ppx n ARG 128 N -4.75 0.06 -0.35 1.90 0.63 -1.24 -4.91 116.66 108.00 1ppx n ARG 128 Ca 0.13 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1ppx n ARG 128 Cb 0.28 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1ppx n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40