#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s28 n ALA 2 N 0.00 3.43 0.00 4.61 0.00 -1.26 -2.99 120.51 124.31 1s28 n ALA 2 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1s28 n ALA 2 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1s28 n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s28 n LYS 4 N 0.45 0.00 -0.23 0.00 3.00 -1.26 -1.24 118.16 118.88 1s28 n LYS 4 Ca 0.11 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.57 1s28 n LYS 4 Cb 0.66 0.00 0.46 0.00 0.00 0.00 0.00 35.03 36.15 1s28 n LYS 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1s28 h ASN 5 N 0.00 0.49 0.24 3.14 2.35 -1.97 0.34 115.58 120.17 1s28 h ASN 5 Ca 0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1s28 h ASN 5 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1s28 h ASN 5 CO 0.00 0.24 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.62 1s28 h SER 6 N 0.52 -0.27 -0.87 5.81 0.87 -1.47 -1.63 113.55 116.50 1s28 h SER 6 Ca 0.43 -0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 1s28 h SER 6 Cb 0.89 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1s28 h SER 6 CO -0.17 0.05 0.56 0.15 -0.53 0.00 0.00 176.83 176.89 1s28 h PHE 7 N -0.62 0.87 0.30 2.24 3.57 -1.56 -1.72 116.94 120.02 1s28 h PHE 7 Ca -0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1s28 h PHE 7 Cb 0.44 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1s28 h PHE 7 CO 0.02 0.38 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.89 1s28 h ASP 8 N 0.78 -0.35 -1.00 0.41 3.32 -0.72 -2.12 116.42 116.75 1s28 h ASP 8 Ca 0.41 -0.06 0.18 0.00 0.02 0.00 0.00 57.03 57.59 1s28 h ASP 8 Cb 0.52 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.05 1s28 h ASP 8 CO -0.18 -0.16 0.60 0.03 -1.72 0.00 0.00 179.24 177.81 1s28 h ARG 9 N -0.51 0.75 0.01 3.56 3.08 -0.45 0.35 114.38 121.16 1s28 h ARG 9 Ca -0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1s28 h ARG 9 Cb 0.38 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1s28 h ARG 9 CO 0.07 0.50 -0.01 1.25 -1.07 0.00 0.00 179.97 180.70 1s28 h LEU 10 N 0.77 -0.04 -0.39 3.04 5.85 -0.97 0.28 115.31 123.85 1s28 h LEU 10 Ca 0.57 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.34 1s28 h LEU 10 Cb 0.86 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 1s28 h LEU 10 CO -0.38 -0.02 -0.49 0.40 -0.34 0.00 0.00 178.44 177.62 1s28 h ILE 11 N -0.02 0.00 -0.94 4.05 1.08 -0.64 -0.42 117.51 120.62 1s28 h ILE 11 Ca -0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.64 1s28 h ILE 11 Cb 0.02 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.60 1s28 h ILE 11 CO -0.00 0.00 -0.29 -0.78 -0.69 0.00 0.00 178.15 176.38 1s28 h ASP 12 N -0.32 -1.09 -0.45 1.72 -0.00 -0.31 0.19 116.42 116.17 1s28 h ASP 12 Ca 0.07 0.29 0.02 0.00 -0.00 0.00 0.00 57.03 57.41 1s28 h ASP 12 Cb 0.51 0.64 -0.03 0.00 -0.00 0.00 0.00 39.33 40.45 1s28 h ASP 12 CO -0.54 -0.30 0.27 1.23 -0.00 0.00 0.00 179.24 179.89 1s28 h GLY 13 N -0.01 0.63 1.97 -0.78 0.00 0.66 -2.25 103.07 103.29 1s28 h GLY 13 Ca 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1s28 h GLY 13 CO -0.96 0.17 -0.35 1.41 0.00 0.00 0.00 176.54 176.82 1s28 h LEU 14 N 0.54 0.03 -0.12 3.11 4.07 0.41 -2.71 115.31 120.64 1s28 h LEU 14 Ca 0.18 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1s28 h LEU 14 Cb 0.01 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1s28 h LEU 14 CO -0.08 0.39 0.06 0.00 -1.08 0.00 0.00 178.44 177.73 1s28 h ALA 15 N 1.62 0.16 0.00 1.53 0.00 -0.42 0.14 119.26 122.29 1s28 h ALA 15 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1s28 h ALA 15 Cb 0.64 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s28 h ALA 15 CO 0.05 -0.29 -0.03 0.87 0.00 0.00 0.00 179.25 179.84 1s28 h LYS 16 N 0.09 0.00 -0.01 0.00 1.57 -1.11 0.81 116.57 117.92 1s28 h LYS 16 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s28 h LYS 16 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1s28 h LYS 16 CO -0.01 0.03 -0.07 -0.25 -0.57 0.00 0.00 179.45 178.58 1s28 n ASP 17 N -4.08 1.86 -0.16 0.86 8.00 -0.99 -4.54 116.55 117.50 1s28 n ASP 17 Ca -0.03 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1s28 n ASP 17 Cb 0.12 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1s28 n ASP 17 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s28 n TYR 18 N 0.45 0.00 0.00 1.24 4.02 0.46 -5.08 117.16 118.25 1s28 n TYR 18 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1s28 n TYR 18 Cb 0.30 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1s28 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s28 n GLY 19 N 0.00 1.08 3.34 2.72 0.00 0.28 -4.87 105.19 107.74 1s28 n GLY 19 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 1s28 n GLY 19 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s28 s PRO 21 N 0.00 1.46 0.19 1.61 0.02 -1.26 -4.34 135.00 132.68 1s28 s PRO 21 Ca 0.00 -1.79 0.04 0.00 0.02 0.00 0.00 61.00 59.27 1s28 s PRO 21 Cb 0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 34.50 34.11 1s28 s PRO 21 CO 0.00 -0.27 0.26 0.20 -0.33 0.00 0.00 177.00 176.85 1s28 s GLY 22 N -3.35 1.53 -0.69 0.52 0.00 0.37 -4.80 107.32 100.89 1s28 s GLY 22 Ca 0.38 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1s28 s GLY 22 CO 0.14 -1.21 0.51 0.69 0.00 0.00 0.00 173.10 173.23 1s28 n PHE 23 N -0.84 3.12 -0.61 1.90 3.01 -1.26 -0.10 117.46 122.68 1s28 n PHE 23 Ca -0.08 -4.27 -0.31 0.00 1.01 0.00 0.00 57.45 53.80 1s28 n PHE 23 Cb 0.56 -0.59 0.20 0.00 -0.01 0.00 0.00 39.48 39.64 1s28 n PHE 23 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1s28 n PRO 24 N 1.91 -1.91 -2.80 -1.08 -0.02 -1.26 -4.99 135.00 124.86 1s28 n PRO 24 Ca 0.21 -0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 60.85 1s28 n PRO 24 Cb 0.36 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1s28 n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s28 s GLU 25 N -3.68 3.74 -0.63 -0.52 2.02 -1.26 -4.88 118.70 113.49 1s28 s GLU 25 Ca 0.59 0.44 -0.26 0.00 0.02 0.00 0.00 54.97 55.77 1s28 s GLU 25 Cb -0.15 -2.38 -0.11 0.00 0.10 0.00 0.00 34.13 31.58 1s28 s GLU 25 CO 0.66 -0.07 2.45 1.63 0.02 0.00 0.00 175.26 179.95 1s28 n LYS 26 N -1.45 0.77 -0.02 1.61 4.01 -1.26 -4.77 118.16 117.04 1s28 n LYS 26 Ca 0.02 -0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 57.65 1s28 n LYS 26 Cb 0.54 -3.13 -0.00 0.00 -0.51 0.00 0.00 35.03 31.92 1s28 n LYS 26 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1s28 h LYS 27 N 17.06 0.00 -7.37 1.97 3.64 -1.97 -3.48 116.57 126.42 1s28 h LYS 27 Ca -0.16 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.71 1s28 h LYS 27 Cb 1.22 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.13 1s28 h LYS 27 CO 1.18 0.00 0.37 -1.01 -2.27 0.00 0.00 179.45 177.73 1s28 s HIS 28 N -1.36 3.15 0.36 1.91 3.76 -1.26 -5.05 115.29 116.80 1s28 s HIS 28 Ca -0.03 1.31 -0.15 0.00 -0.15 0.00 0.00 55.06 56.04 1s28 s HIS 28 Cb 0.00 -2.92 -0.09 0.00 1.11 0.00 0.00 32.58 30.68 1s28 s HIS 28 CO 0.04 -1.26 0.79 -2.00 -0.85 0.00 0.00 174.74 171.47 1s28 s GLU 29 N -5.11 4.01 0.00 1.40 2.12 -1.26 -3.56 118.70 116.29 1s28 s GLU 29 Ca 0.58 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1s28 s GLU 29 Cb -0.13 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.89 1s28 s GLU 29 CO 0.54 0.07 0.00 0.72 -0.54 0.00 0.00 175.26 176.06 1s28 n HIS 30 N -0.61 0.00 -2.13 5.30 8.25 -1.26 -4.97 115.22 119.81 1s28 n HIS 30 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 1s28 n HIS 30 Cb 0.53 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 1s28 n HIS 30 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1s28 s GLU 31 N -0.03 3.92 0.00 -0.41 2.12 -1.23 -1.12 118.70 121.95 1s28 s GLU 31 Ca 0.00 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.36 1s28 s GLU 31 Cb 0.00 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.72 1s28 s GLU 31 CO 0.00 -0.49 0.00 1.33 -0.54 0.00 0.00 175.26 175.56 1s28 n VAL 32 N -0.02 0.00 -3.89 3.70 0.24 -0.75 -4.87 118.33 112.75 1s28 n VAL 32 Ca 0.05 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.24 1s28 n VAL 32 Cb 0.45 -0.06 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 1s28 n VAL 32 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1s28 s TYR 33 N -0.92 0.04 -0.20 6.34 4.12 -1.23 -4.98 117.35 120.53 1s28 s TYR 33 Ca 0.00 -0.10 -0.09 0.00 0.02 0.00 0.00 57.07 56.91 1s28 s TYR 33 Cb 0.00 -0.05 0.08 0.00 -1.52 0.00 0.00 41.96 40.47 1s28 s TYR 33 CO 0.00 -0.19 0.45 0.00 0.02 0.00 0.00 175.55 175.83 1s28 s PHE 35 N 2.07 2.08 -0.21 0.00 0.40 -0.53 -4.36 117.98 117.44 1s28 s PHE 35 Ca -0.06 -0.79 -0.03 0.00 -0.60 0.00 0.00 56.93 55.45 1s28 s PHE 35 Cb -0.10 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 42.01 1s28 s PHE 35 CO -0.14 -0.33 -0.08 -2.00 0.70 0.00 0.00 175.22 173.37 1s28 s GLU 36 N 0.40 3.29 -0.83 0.44 2.12 0.85 -1.14 118.70 123.84 1s28 s GLU 36 Ca -0.15 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.42 1s28 s GLU 36 Cb -0.16 -2.90 0.21 0.00 0.26 0.00 0.00 34.13 31.54 1s28 s GLU 36 CO 0.06 -0.18 0.74 -0.06 -0.54 0.00 0.00 175.26 175.28 1s28 s PHE 37 N 1.39 3.76 0.46 5.30 0.40 -0.52 0.14 117.98 128.91 1s28 s PHE 37 Ca 0.05 -2.41 0.13 0.00 -0.60 0.00 0.00 56.93 54.10 1s28 s PHE 37 Cb -0.14 -3.59 1.08 0.00 0.51 0.00 0.00 43.02 40.87 1s28 s PHE 37 CO -0.05 -0.92 2.06 0.87 0.70 0.00 0.00 175.22 177.88 1s28 h LYS 38 N 7.21 0.29 -0.70 0.44 1.57 -1.93 -2.27 116.57 121.18 1s28 h LYS 38 Ca 0.09 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 1s28 h LYS 38 Cb 0.97 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1s28 h LYS 38 CO 0.79 0.19 0.30 0.93 -0.57 0.00 0.00 179.45 181.10 1s28 h GLU 39 N 0.30 0.48 -0.43 3.15 5.08 -1.91 -2.47 114.58 118.79 1s28 h GLU 39 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1s28 h GLU 39 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1s28 h GLU 39 CO -0.03 0.32 0.00 1.33 -1.00 0.00 0.00 179.01 179.63 1s28 n VAL 40 N -4.95 2.09 -3.50 3.13 0.24 -0.98 -4.98 118.33 109.38 1s28 n VAL 40 Ca 0.12 -1.50 -0.25 0.00 -2.04 0.00 0.00 64.34 60.67 1s28 n VAL 40 Cb 0.32 -0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.63 1s28 n VAL 40 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1s28 n SER 41 N 0.25 -3.48 -4.27 -1.34 7.64 -0.89 -4.84 113.62 106.69 1s28 n SER 41 Ca 0.22 -0.47 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 1s28 n SER 41 Cb 0.88 -2.89 -0.16 0.00 -1.01 0.00 0.00 64.21 61.03 1s28 n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1s28 s ILE 42 N -2.95 1.96 -0.02 0.44 1.01 -1.12 -1.23 121.20 119.28 1s28 s ILE 42 Ca 0.45 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1s28 s ILE 42 Cb -0.24 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1s28 s ILE 42 CO 0.55 0.55 -0.24 -0.13 0.00 0.00 0.00 174.94 175.67 1s28 s ARG 43 N -0.39 2.14 -0.20 2.79 0.52 0.25 -1.43 118.95 122.62 1s28 s ARG 43 Ca 0.04 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1s28 s ARG 43 Cb -0.11 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1s28 s ARG 43 CO 0.01 0.57 -0.11 0.42 0.02 0.00 0.00 175.30 176.21 1s28 s ILE 44 N -0.66 2.85 0.26 1.52 -1.09 -0.29 0.01 121.20 123.79 1s28 s ILE 44 Ca 0.11 -0.67 0.09 0.00 -2.23 0.00 0.00 60.65 57.95 1s28 s ILE 44 Cb -0.10 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.47 1s28 s ILE 44 CO -0.00 0.47 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.87 1s28 s TYR 45 N 1.40 2.71 -0.13 3.97 1.51 -0.43 -1.45 117.35 124.93 1s28 s TYR 45 Ca 0.05 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1s28 s TYR 45 Cb -0.14 -1.21 0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1s28 s TYR 45 CO -0.07 0.61 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.80 1s28 s GLN 46 N -3.62 1.17 1.17 -0.62 0.74 -0.75 -0.37 119.66 117.39 1s28 s GLN 46 Ca 0.31 -0.28 -0.15 0.00 0.05 0.00 0.00 55.36 55.29 1s28 s GLN 46 Cb -0.07 -1.65 0.24 0.00 1.10 0.00 0.00 33.01 32.63 1s28 s GLN 46 CO 0.20 -0.38 0.70 -3.47 -0.55 0.00 0.00 175.29 171.79 1s28 n ASP 47 N 4.98 -2.00 0.07 6.67 2.03 0.12 -1.80 116.55 126.62 1s28 n ASP 47 Ca -0.11 -0.17 0.12 0.00 0.52 0.00 0.00 54.79 55.16 1s28 n ASP 47 Cb 0.49 -1.16 0.19 0.00 -0.72 0.00 0.00 41.12 39.91 1s28 n ASP 47 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s28 h LYS 48 N -2.54 0.00 -0.63 -0.67 3.64 -1.45 -3.27 116.57 111.66 1s28 h LYS 48 Ca -0.60 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.56 1s28 h LYS 48 Cb 1.34 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.03 1s28 h LYS 48 CO 0.46 0.00 0.22 1.19 -2.27 0.00 0.00 179.45 179.05 1s28 n PHE 49 N -2.16 2.05 -3.01 1.91 3.01 -1.26 -4.95 117.46 113.05 1s28 n PHE 49 Ca 0.03 -1.33 -0.12 0.00 1.01 0.00 0.00 57.45 57.04 1s28 n PHE 49 Cb 0.44 -0.63 0.05 0.00 -0.01 0.00 0.00 39.48 39.33 1s28 n PHE 49 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1s28 n LYS 50 N -0.56 -4.47 -5.27 -1.08 4.76 -1.23 -4.94 118.16 105.36 1s28 n LYS 50 Ca 0.39 0.52 -0.31 0.00 -2.87 0.00 0.00 58.31 56.04 1s28 n LYS 50 Cb 1.29 -4.60 -0.16 0.00 -1.84 0.00 0.00 35.03 29.72 1s28 n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1s28 s TRP 51 N -3.21 2.40 -0.03 2.13 0.52 -1.26 -1.41 118.94 118.07 1s28 s TRP 51 Ca 0.15 -0.58 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 1s28 s TRP 51 Cb -0.07 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1s28 s TRP 51 CO 0.45 -0.13 0.15 0.54 0.02 0.00 0.00 176.95 177.99 1s28 s VAL 52 N -0.38 5.28 0.09 4.03 0.11 -0.58 0.14 120.40 129.09 1s28 s VAL 52 Ca 0.03 -0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 1s28 s VAL 52 Cb -0.12 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 1s28 s VAL 52 CO 0.01 0.40 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.69 1s28 s TYR 53 N -1.22 1.61 -0.16 1.54 1.51 0.50 -1.70 117.35 119.43 1s28 s TYR 53 Ca 0.23 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1s28 s TYR 53 Cb -0.12 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1s28 s TYR 53 CO 0.14 0.15 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.56 1s28 s PHE 54 N -1.15 2.09 -0.13 2.71 0.40 -0.66 -1.31 117.98 119.92 1s28 s PHE 54 Ca 0.04 -1.25 0.02 0.00 -0.60 0.00 0.00 56.93 55.13 1s28 s PHE 54 Cb -0.10 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.91 1s28 s PHE 54 CO 0.03 -0.66 -0.18 -1.17 0.70 0.00 0.00 175.22 173.93 1s28 s LEU 55 N 1.51 2.36 -0.03 -0.37 2.96 0.10 -1.86 118.68 123.35 1s28 s LEU 55 Ca 0.02 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1s28 s LEU 55 Cb -0.14 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1s28 s LEU 55 CO -0.09 0.13 -0.26 -0.55 -1.32 0.00 0.00 176.35 174.26 1s28 s SER 56 N 0.56 3.06 -0.38 3.68 0.15 -0.34 0.87 113.70 121.30 1s28 s SER 56 Ca -0.11 -0.48 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 1s28 s SER 56 Cb -0.16 -0.47 0.05 0.00 -1.71 0.00 0.00 66.02 63.73 1s28 s SER 56 CO 0.04 0.30 0.19 -1.81 1.20 0.00 0.00 173.24 173.16 1s28 s ASP 57 N -0.50 5.56 0.35 5.45 1.01 -0.37 -1.40 116.67 126.78 1s28 s ASP 57 Ca 0.07 -1.25 0.14 0.00 0.71 0.00 0.00 52.55 52.22 1s28 s ASP 57 Cb -0.11 -1.96 0.65 0.00 1.01 0.00 0.00 42.92 42.51 1s28 s ASP 57 CO 0.00 -0.43 1.76 0.40 0.21 0.00 0.00 175.17 177.12 1s28 h ILE 58 N 6.05 1.21 0.00 0.77 2.04 -1.80 -3.47 117.51 122.31 1s28 h ILE 58 Ca -0.24 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1s28 h ILE 58 Cb 1.09 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1s28 h ILE 58 CO 0.68 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.86 1s28 n GLY 59 N -0.14 -0.45 3.94 5.37 0.00 -1.24 -4.90 105.19 107.77 1s28 n GLY 59 Ca -0.01 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 1s28 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s28 s VAL 60 N 0.00 5.16 -0.09 1.61 1.01 -1.26 0.39 120.40 127.21 1s28 s VAL 60 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1s28 s VAL 60 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1s28 s VAL 60 CO 0.00 -0.39 0.20 -0.63 0.00 0.00 0.00 175.10 174.28 1s28 s ILE 61 N -2.11 -0.22 0.22 2.22 1.01 -1.26 -4.90 121.20 116.16 1s28 s ILE 61 Ca 0.39 0.27 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1s28 s ILE 61 Cb -0.10 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1s28 s ILE 61 CO 0.32 0.11 0.34 -1.81 0.00 0.00 0.00 174.94 173.90 1s28 s ASP 62 N 1.94 6.31 0.46 3.58 1.01 -1.26 -4.99 116.67 123.72 1s28 s ASP 62 Ca -0.02 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1s28 s ASP 62 Cb -0.12 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1s28 s ASP 62 CO -0.07 -0.04 0.00 0.59 0.21 0.00 0.00 175.17 175.86 1s28 n ASN 63 N -1.19 0.00 0.00 0.27 3.02 -1.26 -4.74 115.26 111.36 1s28 n ASN 63 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1s28 n ASN 63 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1s28 n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s28 n LEU 64 N 0.00 0.00 0.00 3.41 4.77 -1.26 -4.87 117.00 119.05 1s28 n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1s28 n LEU 64 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1s28 n LEU 64 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 1s28 n ASP 65 N 0.00 0.00 -0.34 -1.43 8.00 -1.26 0.11 116.55 121.62 1s28 n ASP 65 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1s28 n ASP 65 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1s28 n ASP 65 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1s28 h SER 66 N 0.00 0.75 0.00 -2.24 0.02 -1.99 0.64 113.55 110.73 1s28 h SER 66 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1s28 h SER 66 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1s28 h SER 66 CO 0.00 0.29 0.00 -3.20 -1.14 0.00 0.00 176.83 172.78 1s28 n ASN 67 N -4.77 0.00 -0.48 3.07 2.85 0.12 -3.80 115.26 112.25 1s28 n ASN 67 Ca 0.21 0.39 0.07 0.00 -0.11 0.00 0.00 54.58 55.14 1s28 n ASN 67 Cb 0.52 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.58 1s28 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s28 n ALA 68 N -0.99 2.60 -0.32 5.20 0.00 0.10 -4.64 120.51 122.47 1s28 n ALA 68 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 52.94 1s28 n ALA 68 Cb 0.00 -0.45 0.16 0.00 0.00 0.00 0.00 19.45 19.15 1s28 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s28 h GLN 70 N 0.00 -0.99 -0.49 0.00 4.20 -1.80 0.58 115.11 116.61 1s28 h GLN 70 Ca 0.46 0.07 0.14 0.00 0.06 0.00 0.00 58.65 59.38 1s28 h GLN 70 Cb 0.76 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1s28 h GLN 70 CO -0.91 -0.66 0.60 0.77 -0.67 0.00 0.00 178.83 177.96 1s28 h SER 71 N -1.03 0.00 0.06 1.46 0.02 -0.97 0.75 113.55 113.85 1s28 h SER 71 Ca -0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1s28 h SER 71 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1s28 h SER 71 CO 0.06 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 175.97 1s28 h LEU 72 N 0.00 -0.07 0.00 5.07 5.85 -0.35 -3.23 115.31 122.58 1s28 h LEU 72 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1s28 h LEU 72 Cb 1.42 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1s28 h LEU 72 CO -0.00 0.17 0.00 -0.11 -0.34 0.00 0.00 178.44 178.16 1s28 n LEU 73 N -3.42 0.00 0.00 2.25 0.00 0.12 0.51 117.00 116.45 1s28 n LEU 73 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.11 1s28 n LEU 73 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.47 1s28 n LEU 73 CO 0.02 0.00 0.11 -1.14 0.00 0.00 0.00 177.39 176.38 1s28 n ARG 74 N -0.80 0.06 0.05 1.96 3.00 0.25 -3.81 116.66 117.37 1s28 n ARG 74 Ca 0.02 -0.01 0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1s28 n ARG 74 Cb 0.01 -1.51 0.48 0.00 0.00 0.00 0.00 32.46 31.44 1s28 n ARG 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1s28 n LEU 75 N -1.58 0.37 -0.66 6.15 4.77 0.18 -2.87 117.00 123.36 1s28 n LEU 75 Ca 0.04 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.62 1s28 n LEU 75 Cb 0.35 -0.45 0.15 0.00 -2.33 0.00 0.00 43.42 41.14 1s28 n LEU 75 CO 0.40 -0.17 0.61 0.59 -1.33 0.00 0.00 177.39 177.49 1s28 n ASN 76 N -1.86 1.90 -4.64 -1.43 3.02 -1.25 -4.89 115.26 106.11 1s28 n ASN 76 Ca 0.05 -2.04 -0.40 0.00 -0.03 0.00 0.00 54.58 52.16 1s28 n ASN 76 Cb 0.33 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1s28 n ASN 76 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1s28 n GLU 77 N 0.44 1.40 -1.92 3.52 0.28 -1.14 -4.91 120.64 118.31 1s28 n GLU 77 Ca 0.11 0.51 -0.34 0.00 -0.16 0.00 0.00 57.16 57.28 1s28 n GLU 77 Cb 0.32 -2.18 0.04 0.00 1.43 0.00 0.00 31.44 31.04 1s28 n GLU 77 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1s28 s PHE 78 N -1.32 2.55 -0.23 -1.84 5.36 -1.26 -5.05 117.98 116.20 1s28 s PHE 78 Ca 0.66 1.55 -0.36 0.00 -0.96 0.00 0.00 56.93 57.82 1s28 s PHE 78 Cb -0.50 -3.27 0.15 0.00 -0.34 0.00 0.00 43.02 39.05 1s28 s PHE 78 CO 0.54 -1.80 1.28 0.54 -1.46 0.00 0.00 175.22 174.32 1s28 s ASN 79 N -2.15 -0.09 -0.41 6.13 2.20 -1.26 -5.06 114.94 114.30 1s28 s ASN 79 Ca 0.71 0.00 -0.02 0.00 -0.94 0.00 0.00 52.86 52.61 1s28 s ASN 79 Cb -0.23 0.09 0.16 0.00 -2.00 0.00 0.00 41.25 39.27 1s28 s ASN 79 CO 0.36 -0.15 2.37 0.18 -2.94 0.00 0.00 177.10 176.92 1s28 n LEU 80 N -0.05 6.57 -4.83 3.54 4.77 -1.26 -4.96 117.00 120.78 1s28 n LEU 80 Ca 0.02 -3.74 -0.38 0.00 -0.03 0.00 0.00 56.01 51.89 1s28 n LEU 80 Cb 0.57 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1s28 n LEU 80 CO 0.09 1.48 0.15 -0.13 -1.33 0.00 0.00 177.39 177.64 1s28 s ARG 81 N -1.93 3.97 1.08 3.23 1.81 -1.26 -5.07 118.95 120.78 1s28 s ARG 81 Ca 0.46 0.47 -0.12 0.00 -1.72 0.00 0.00 55.73 54.82 1s28 s ARG 81 Cb 0.33 -3.19 0.24 0.00 -0.45 0.00 0.00 34.95 31.88 1s28 s ARG 81 CO -0.11 0.66 1.07 0.95 -0.68 0.00 0.00 175.30 177.18 1s28 s THR 82 N -1.14 2.04 -0.05 0.02 -4.23 -1.26 -4.04 115.64 106.98 1s28 s THR 82 Ca 0.27 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1s28 s THR 82 Cb -0.17 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1s28 s THR 82 CO 0.15 -0.01 0.07 -2.65 -0.54 0.00 0.00 174.62 171.64 1s28 n PRO 83 N -4.71 -0.23 -2.98 3.99 -0.02 -1.26 -4.83 135.00 124.95 1s28 n PRO 83 Ca 0.06 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 1s28 n PRO 83 Cb 0.53 -0.34 -0.04 0.00 -0.02 0.00 0.00 33.50 33.63 1s28 n PRO 83 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s28 s PHE 84 N -0.29 3.62 -0.41 6.00 5.36 -1.26 -5.03 117.98 125.98 1s28 s PHE 84 Ca 0.04 1.37 -0.18 0.00 -0.96 0.00 0.00 56.93 57.20 1s28 s PHE 84 Cb -0.00 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 1s28 s PHE 84 CO 0.09 0.11 0.47 -0.06 -1.46 0.00 0.00 175.22 174.37 1s28 s PHE 85 N 0.65 3.16 0.01 10.12 0.40 -1.26 -4.58 117.98 126.48 1s28 s PHE 85 Ca 0.40 -0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 1s28 s PHE 85 Cb -0.19 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 1s28 s PHE 85 CO 0.21 -0.69 0.83 0.99 0.70 0.00 0.00 175.22 177.26 1s28 s THR 86 N 2.25 4.82 -0.20 0.64 2.01 -0.41 -4.88 115.64 119.86 1s28 s THR 86 Ca 0.14 1.75 -0.06 0.00 0.31 0.00 0.00 61.69 63.83 1s28 s THR 86 Cb -0.16 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1s28 s THR 86 CO 0.14 0.27 0.04 -0.69 -0.69 0.00 0.00 174.62 173.69 1s28 s VAL 87 N 0.46 4.35 0.02 3.82 1.01 -1.26 -2.02 120.40 126.78 1s28 s VAL 87 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1s28 s VAL 87 Cb -0.20 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1s28 s VAL 87 CO 0.24 0.42 0.02 0.61 0.00 0.00 0.00 175.10 176.39 1s28 n GLY 88 N 4.10 3.63 3.19 4.51 0.00 -0.18 -4.89 105.19 115.55 1s28 n GLY 88 Ca -0.17 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1s28 n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s28 s LEU 89 N 0.00 2.08 1.12 0.99 2.96 -1.26 -2.52 118.68 122.05 1s28 s LEU 89 Ca 0.02 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 1s28 s LEU 89 Cb 0.00 -1.41 0.24 0.00 0.50 0.00 0.00 46.19 45.52 1s28 s LEU 89 CO 0.02 0.12 0.53 -3.20 -1.32 0.00 0.00 176.35 172.50 1s28 n ASN 90 N 3.77 -3.37 -0.14 3.68 5.15 0.13 -4.79 115.26 119.69 1s28 n ASN 90 Ca -0.19 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1s28 n ASN 90 Cb 0.52 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1s28 n ASN 90 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1s28 n GLU 91 N -2.86 1.02 -2.71 1.20 1.02 -1.26 -3.17 120.64 113.88 1s28 n GLU 91 Ca 0.08 -0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1s28 n GLU 91 Cb 0.38 -1.13 0.09 0.00 -0.02 0.00 0.00 31.44 30.75 1s28 n GLU 91 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s28 n LYS 92 N -0.35 1.31 -4.18 3.49 5.02 -1.26 -4.99 118.16 117.19 1s28 n LYS 92 Ca 0.00 -2.31 -0.34 0.00 -2.02 0.00 0.00 58.31 53.64 1s28 n LYS 92 Cb 0.07 -0.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.56 1s28 n LYS 92 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s28 n LYS 93 N -0.69 -2.93 -4.80 1.97 4.01 -1.19 -4.96 118.16 109.57 1s28 n LYS 93 Ca -0.02 0.35 -0.33 0.00 -0.51 0.00 0.00 58.31 57.80 1s28 n LYS 93 Cb 0.84 -4.83 -0.13 0.00 -0.51 0.00 0.00 35.03 30.40 1s28 n LYS 93 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1s28 s ASP 94 N -3.64 4.17 0.22 4.39 1.01 -1.26 -4.54 116.67 117.03 1s28 s ASP 94 Ca 0.51 -0.18 -0.31 0.00 0.71 0.00 0.00 52.55 53.28 1s28 s ASP 94 Cb -0.28 -1.08 -0.15 0.00 1.01 0.00 0.00 42.92 42.43 1s28 s ASP 94 CO 0.93 0.31 1.17 0.61 0.21 0.00 0.00 175.17 178.40 1s28 n GLY 95 N 2.54 0.11 3.33 0.21 0.00 0.16 0.22 105.19 111.77 1s28 n GLY 95 Ca -0.17 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 1s28 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s28 s VAL 96 N -0.44 -0.01 -0.08 1.61 0.11 -1.05 -2.38 120.40 118.16 1s28 s VAL 96 Ca 0.67 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.74 1s28 s VAL 96 Cb -0.76 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.48 1s28 s VAL 96 CO 0.54 0.02 0.06 -0.69 -3.33 0.00 0.00 175.10 171.70 1s28 s VAL 97 N 0.91 -0.05 0.29 2.04 1.01 -0.49 -1.01 120.40 123.11 1s28 s VAL 97 Ca -0.05 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1s28 s VAL 97 Cb -0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1s28 s VAL 97 CO -0.07 0.04 0.16 -1.38 0.00 0.00 0.00 175.10 173.84 1s28 s HIS 98 N 2.14 1.57 0.25 5.22 -3.43 -0.86 -1.20 115.29 118.98 1s28 s HIS 98 Ca 0.04 -1.36 -0.16 0.00 -0.80 0.00 0.00 55.06 52.78 1s28 s HIS 98 Cb -0.13 -0.84 0.01 0.00 -1.43 0.00 0.00 32.58 30.19 1s28 s HIS 98 CO -0.05 -0.52 0.56 0.99 -2.00 0.00 0.00 174.74 173.71 1s28 s THR 99 N -3.65 0.00 -0.01 -5.38 2.01 -0.78 -1.29 115.64 106.54 1s28 s THR 99 Ca 0.36 -1.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1s28 s THR 99 Cb 0.05 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1s28 s THR 99 CO 0.17 -0.01 0.25 0.00 -0.69 0.00 0.00 174.62 174.34 1s28 s ARG 100 N -3.98 0.60 -0.21 4.92 1.70 -1.26 -1.66 118.95 119.06 1s28 s ARG 100 Ca 0.18 -0.26 -0.15 0.00 -0.47 0.00 0.00 55.73 55.03 1s28 s ARG 100 Cb -0.02 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.68 1s28 s ARG 100 CO 0.08 -0.16 0.53 0.42 -1.08 0.00 0.00 175.30 175.09 1s28 s ILE 101 N -1.33 -0.01 0.67 4.99 1.01 -0.69 -4.89 121.20 120.96 1s28 s ILE 101 Ca -0.14 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1s28 s ILE 101 Cb -0.06 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1s28 s ILE 101 CO 0.03 0.01 1.18 -2.16 0.00 0.00 0.00 174.94 174.01 1s28 s PRO 102 N 0.90 2.55 0.16 2.79 0.04 -1.26 -1.52 135.00 138.66 1s28 s PRO 102 Ca -0.05 1.69 0.17 0.00 0.04 0.00 0.00 61.00 62.86 1s28 s PRO 102 Cb -0.05 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1s28 s PRO 102 CO -0.08 -1.51 1.07 1.25 0.04 0.00 0.00 177.00 177.78 1s28 h LEU 103 N 0.14 0.00 -9.09 -3.56 5.85 -1.60 -3.44 115.31 103.62 1s28 h LEU 103 Ca -0.48 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.63 1s28 h LEU 103 Cb 1.28 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1s28 h LEU 103 CO 0.52 0.44 1.28 -0.11 -0.34 0.00 0.00 178.44 180.24 1s28 n LEU 104 N -2.96 3.31 -2.30 2.25 7.94 -1.26 -1.70 117.00 122.28 1s28 n LEU 104 Ca -0.04 0.66 -0.16 0.00 -1.11 0.00 0.00 56.01 55.36 1s28 n LEU 104 Cb 0.75 -1.43 0.03 0.00 0.53 0.00 0.00 43.42 43.30 1s28 n LEU 104 CO 0.41 -0.29 0.02 -3.20 -1.11 0.00 0.00 177.39 173.23 1s28 n ASN 105 N 8.69 -4.91 -3.95 1.96 4.05 -1.26 -5.02 115.26 114.82 1s28 n ASN 105 Ca 0.27 -0.23 -0.29 0.00 0.45 0.00 0.00 54.58 54.78 1s28 n ASN 105 Cb 0.34 -3.73 -0.16 0.00 1.23 0.00 0.00 39.78 37.46 1s28 n ASN 105 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1s28 s LEU 106 N -5.03 1.87 0.70 1.20 2.96 -0.69 -5.14 118.68 114.56 1s28 s LEU 106 Ca 0.24 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 1s28 s LEU 106 Cb -0.11 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1s28 s LEU 106 CO 0.30 -0.15 1.08 -0.62 -1.32 0.00 0.00 176.35 175.64 1s28 s ASP 107 N 1.52 5.49 0.44 3.68 2.15 -1.26 -4.89 116.67 123.80 1s28 s ASP 107 Ca 0.01 1.26 0.14 0.00 0.43 0.00 0.00 52.55 54.39 1s28 s ASP 107 Cb -0.15 -2.11 0.98 0.00 -0.30 0.00 0.00 42.92 41.34 1s28 s ASP 107 CO -0.08 -1.33 1.98 -0.55 -0.17 0.00 0.00 175.17 175.02 1s28 h ASN 108 N -0.64 0.00 -0.36 -0.34 -1.07 -1.96 -2.87 115.58 108.34 1s28 h ASN 108 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1s28 h ASN 108 Cb 1.24 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.47 1s28 h ASN 108 CO 0.62 0.20 0.23 0.58 0.07 0.00 0.00 177.43 179.14 1s28 h VAL 109 N 0.00 1.10 0.00 6.14 2.07 -1.93 0.24 116.25 123.86 1s28 h VAL 109 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1s28 h VAL 109 Cb 0.35 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1s28 h VAL 109 CO 0.03 0.10 0.00 1.21 0.02 0.00 0.00 177.57 178.92 1s28 n GLU 110 N -4.83 0.45 0.00 1.57 2.13 -1.08 -2.18 120.64 116.69 1s28 n GLU 110 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1s28 n GLU 110 Cb 0.03 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1s28 n GLU 110 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s28 n ARG 112 N 1.35 0.00 -0.05 5.31 5.12 0.07 -0.69 116.66 127.77 1s28 n ARG 112 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1s28 n ARG 112 Cb 0.22 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.51 1s28 n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s28 h ARG 113 N 0.00 -0.20 -0.63 5.56 3.08 -1.71 0.48 114.38 120.96 1s28 h ARG 113 Ca 0.00 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.19 1s28 h ARG 113 Cb 0.00 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.00 1s28 h ARG 113 CO 0.00 -0.14 0.05 0.28 -1.07 0.00 0.00 179.97 179.10 1s28 h VAL 114 N -0.21 0.52 0.63 2.04 2.07 -1.20 0.86 116.25 120.96 1s28 h VAL 114 Ca 0.14 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1s28 h VAL 114 Cb 0.42 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1s28 h VAL 114 CO -0.37 0.03 -0.40 0.15 0.02 0.00 0.00 177.57 177.00 1s28 h PHE 115 N 0.17 -1.08 -0.39 1.57 3.57 -1.16 0.61 116.94 120.22 1s28 h PHE 115 Ca 0.33 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.91 1s28 h PHE 115 Cb 0.54 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1s28 h PHE 115 CO -0.33 -0.60 -0.26 0.93 -2.23 0.00 0.00 178.31 175.83 1s28 h GLU 116 N -0.97 -0.19 -0.76 1.11 4.39 0.57 0.13 114.58 118.86 1s28 h GLU 116 Ca -0.08 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.79 1s28 h GLU 116 Cb 0.78 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.37 1s28 h GLU 116 CO 0.07 -0.13 0.23 0.00 -1.16 0.00 0.00 179.01 178.02 1s28 h ALA 117 N 0.94 1.03 -0.91 3.43 0.00 0.89 0.19 119.26 124.84 1s28 h ALA 117 Ca 0.18 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1s28 h ALA 117 Cb 0.49 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1s28 h ALA 117 CO -0.51 -0.31 0.52 1.25 0.00 0.00 0.00 179.25 180.20 1s28 h LEU 118 N 0.32 1.13 0.54 0.00 5.85 0.16 -1.54 115.31 121.77 1s28 h LEU 118 Ca 0.43 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1s28 h LEU 118 Cb 0.73 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1s28 h LEU 118 CO -0.49 0.89 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.11 1s28 h LEU 119 N 1.27 -0.81 -0.76 2.25 3.38 0.93 -1.39 115.31 120.19 1s28 h LEU 119 Ca 0.32 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.51 1s28 h LEU 119 Cb -0.00 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 1s28 h LEU 119 CO -0.06 -0.50 0.00 0.78 0.09 0.00 0.00 178.44 178.75 1s28 h ASN 120 N -0.80 -0.36 -1.00 -0.43 2.35 -1.20 0.25 115.58 114.39 1s28 h ASN 120 Ca -0.07 0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1s28 h ASN 120 Cb 0.64 0.35 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 1s28 h ASN 120 CO 0.08 -0.18 0.66 0.25 -1.65 0.00 0.00 177.43 176.59 1s28 h LEU 121 N 0.10 1.14 -1.19 1.61 5.85 -1.14 0.27 115.31 121.95 1s28 h LEU 121 Ca 0.41 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1s28 h LEU 121 Cb 0.73 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1s28 h LEU 121 CO -0.67 0.83 -0.00 0.28 -0.34 0.00 0.00 178.44 178.53 1s28 h SER 122 N 1.35 0.52 0.07 1.25 0.02 0.57 -0.76 113.55 116.57 1s28 h SER 122 Ca 0.36 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1s28 h SER 122 Cb -0.16 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1s28 h SER 122 CO -0.08 0.59 -0.03 1.23 -1.14 0.00 0.00 176.83 177.40 1s28 h GLY 123 N 0.86 -0.10 -0.65 -3.77 0.00 0.79 0.39 103.07 100.58 1s28 h GLY 123 Ca 0.11 0.04 0.26 0.00 0.00 0.00 0.00 47.33 47.74 1s28 h GLY 123 CO 0.01 -0.04 0.18 0.83 0.00 0.00 0.00 176.54 177.53 1s28 h GLU 124 N -0.09 0.12 -0.27 4.80 5.08 -0.95 0.26 114.58 123.52 1s28 h GLU 124 Ca -0.01 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1s28 h GLU 124 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1s28 h GLU 124 CO 0.02 0.08 -0.32 0.28 -1.00 0.00 0.00 179.01 178.06 1s28 h VAL 125 N 0.12 1.28 -0.19 3.13 2.07 -1.08 -3.14 116.25 118.45 1s28 h VAL 125 Ca 0.58 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1s28 h VAL 125 Cb 1.23 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1s28 h VAL 125 CO -0.75 0.46 -0.01 0.50 0.02 0.00 0.00 177.57 177.79 1s28 h LYS 126 N 0.49 0.34 -2.47 1.57 3.64 0.17 -3.05 116.57 117.26 1s28 h LYS 126 Ca 0.06 -0.11 -0.56 0.00 -1.27 0.00 0.00 60.65 58.77 1s28 h LYS 126 Cb 0.79 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.50 1s28 h LYS 126 CO 0.06 0.55 1.84 1.63 -2.27 0.00 0.00 179.45 181.27 1s28 n LYS 127 N -4.70 3.37 0.00 1.90 5.02 -0.47 -1.50 118.16 121.78 1s28 n LYS 127 Ca -0.05 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 1s28 n LYS 127 Cb 0.23 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1s28 n LYS 127 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1s28 n THR 128 N 2.24 0.00 -0.44 -0.18 -1.04 -1.22 -4.86 114.28 108.78 1s28 n THR 128 Ca 0.60 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.69 1s28 n THR 128 Cb 0.44 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.20 1s28 n THR 128 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1s28 n PHE 129 N -2.27 0.85 -0.48 -1.42 3.01 -1.15 -5.15 117.46 110.86 1s28 n PHE 129 Ca 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.87 1s28 n PHE 129 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1s28 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18