#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 3.25 0.00 4.61 0.00 -1.26 -2.77 120.51 124.34 1s28 n ALA 2 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1s28 n ALA 2 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.63 0.00 -0.24 0.00 3.00 -1.26 -1.38 118.16 118.91 1s28 n LYS 4 Ca 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.54 1s28 n LYS 4 Cb 0.58 0.00 0.48 0.00 0.00 0.00 0.00 35.03 36.10 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 0.46 0.44 3.14 2.35 -1.96 0.31 115.58 120.32 1s28 h ASN 5 Ca 0.00 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1s28 h ASN 5 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1s28 h ASN 5 CO 0.00 0.20 -0.21 -1.28 -1.65 0.00 0.00 177.43 174.49 1s28 h SER 6 N 0.47 -0.50 -0.85 5.81 0.87 -1.52 -1.78 113.55 116.06 1s28 h SER 6 Ca 0.46 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 61.07 1s28 h SER 6 Cb 1.06 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 63.08 1s28 h SER 6 CO -0.19 -0.14 0.55 0.15 -0.53 0.00 0.00 176.83 176.68 1s28 h PHE 7 N -0.89 0.69 0.22 2.24 3.57 -1.55 -1.52 116.94 119.70 1s28 h PHE 7 Ca -0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1s28 h PHE 7 Cb 0.57 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1s28 h PHE 7 CO 0.01 0.25 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.80 1s28 h ASP 8 N 0.58 -0.25 -1.00 0.41 3.32 -0.77 -2.07 116.42 116.64 1s28 h ASP 8 Ca 0.43 -0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.54 1s28 h ASP 8 Cb 0.80 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 1s28 h ASP 8 CO -0.18 -0.05 0.62 0.03 -1.72 0.00 0.00 179.24 177.95 1s28 h ARG 9 N -0.44 0.82 0.03 3.56 3.08 -0.40 0.48 114.38 121.51 1s28 h ARG 9 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1s28 h ARG 9 Cb 0.33 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1s28 h ARG 9 CO 0.05 0.54 -0.04 1.25 -1.07 0.00 0.00 179.97 180.71 1s28 h LEU 10 N 0.85 -0.10 -0.47 3.04 5.85 -0.99 0.06 115.31 123.55 1s28 h LEU 10 Ca 0.54 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.33 1s28 h LEU 10 Cb 0.74 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1s28 h LEU 10 CO -0.32 -0.04 -0.54 0.40 -0.34 0.00 0.00 178.44 177.59 1s28 h ILE 11 N -0.07 0.01 -0.84 4.05 1.08 -0.61 -0.24 117.51 120.90 1s28 h ILE 11 Ca -0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 1s28 h ILE 11 Cb 0.06 0.01 -0.16 0.00 -3.07 0.00 0.00 36.82 33.66 1s28 h ILE 11 CO -0.01 0.00 -0.23 -0.78 -0.69 0.00 0.00 178.15 176.44 1s28 h ASP 12 N -0.35 -0.86 -0.58 1.72 -0.00 -0.03 0.16 116.42 116.48 1s28 h ASP 12 Ca 0.09 0.26 -0.00 0.00 -0.00 0.00 0.00 57.03 57.38 1s28 h ASP 12 Cb 0.58 0.55 -0.03 0.00 -0.00 0.00 0.00 39.33 40.43 1s28 h ASP 12 CO -0.63 -0.28 0.35 1.23 -0.00 0.00 0.00 179.24 179.91 1s28 h GLY 13 N -0.01 0.83 1.96 -0.78 0.00 0.73 -2.47 103.07 103.34 1s28 h GLY 13 Ca 0.39 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1s28 h GLY 13 CO -0.87 0.33 -0.32 1.41 0.00 0.00 0.00 176.54 177.09 1s28 h LEU 14 N 0.78 0.04 -0.16 3.11 3.38 0.33 -2.64 115.31 120.16 1s28 h LEU 14 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1s28 h LEU 14 Cb -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1s28 h LEU 14 CO -0.04 0.37 0.07 0.00 0.09 0.00 0.00 178.44 178.93 1s28 h ALA 15 N 1.64 0.20 0.00 1.53 0.00 -0.56 0.16 119.26 122.23 1s28 h ALA 15 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s28 h ALA 15 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1s28 h ALA 15 CO 0.04 -0.22 -0.03 0.87 0.00 0.00 0.00 179.25 179.91 1s28 h LYS 16 N 0.12 0.00 -0.01 0.00 1.57 -1.10 0.70 116.57 117.85 1s28 h LYS 16 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1s28 h LYS 16 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1s28 h LYS 16 CO -0.01 0.03 -0.25 -0.25 -0.57 0.00 0.00 179.45 178.41 1s28 n ASP 17 N -3.89 1.42 -0.19 0.86 8.00 -1.01 -4.57 116.55 117.16 1s28 n ASP 17 Ca -0.03 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1s28 n ASP 17 Cb 0.12 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.15 0.00 0.00 1.24 4.02 0.53 -5.08 117.16 117.72 1s28 n TYR 18 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1s28 n TYR 18 Cb 0.27 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 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 1.06 3.30 2.72 0.00 0.24 -4.88 105.19 107.64 1s28 n GLY 19 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 1.34 0.17 1.61 0.02 -1.26 -4.35 135.00 132.53 1s28 s PRO 21 Ca 0.00 -1.71 0.04 0.00 0.02 0.00 0.00 61.00 59.35 1s28 s PRO 21 Cb 0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 34.50 34.20 1s28 s PRO 21 CO 0.00 -0.25 0.26 0.20 -0.33 0.00 0.00 177.00 176.88 1s28 s GLY 22 N -3.28 1.60 -0.67 0.52 0.00 0.33 -4.81 107.32 101.02 1s28 s GLY 22 Ca 0.34 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.98 1s28 s GLY 22 CO 0.11 -1.14 0.45 -1.36 0.00 0.00 0.00 173.10 171.16 1s28 s PHE 23 N -1.81 3.50 1.20 1.90 0.40 -1.26 -0.09 117.98 121.81 1s28 s PHE 23 Ca 0.34 -3.31 -0.16 0.00 -0.60 0.00 0.00 56.93 53.20 1s28 s PHE 23 Cb -0.10 -2.74 0.25 0.00 0.51 0.00 0.00 43.02 40.94 1s28 s PHE 23 CO 0.27 -0.59 0.64 -2.30 0.70 0.00 0.00 175.22 173.95 1s28 n PRO 24 N 2.20 -2.56 -2.87 0.24 -0.02 -1.26 -5.00 135.00 125.74 1s28 n PRO 24 Ca 0.17 -0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 60.61 1s28 n PRO 24 Cb 0.34 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 -4.10 3.79 -0.66 -0.52 2.02 -1.26 -4.88 118.70 113.09 1s28 s GLU 25 Ca 0.63 0.48 -0.26 0.00 0.02 0.00 0.00 54.97 55.84 1s28 s GLU 25 Cb -0.19 -2.39 -0.12 0.00 0.10 0.00 0.00 34.13 31.52 1s28 s GLU 25 CO 0.64 -0.03 2.45 1.63 0.02 0.00 0.00 175.26 179.98 1s28 n LYS 26 N -1.25 0.71 -0.02 1.61 4.01 -1.26 -4.77 118.16 117.20 1s28 n LYS 26 Ca 0.02 -0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 57.66 1s28 n LYS 26 Cb 0.54 -3.03 -0.00 0.00 -0.51 0.00 0.00 35.03 32.03 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 16.63 0.00 -7.38 1.97 3.64 -1.97 -3.48 116.57 125.98 1s28 h LYS 27 Ca -0.15 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.73 1s28 h LYS 27 Cb 1.22 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.14 1s28 h LYS 27 CO 1.20 0.00 0.37 -1.01 -2.27 0.00 0.00 179.45 177.74 1s28 s HIS 28 N -1.32 3.11 0.39 1.91 3.76 -1.26 -5.05 115.29 116.83 1s28 s HIS 28 Ca -0.03 1.28 -0.16 0.00 -0.15 0.00 0.00 55.06 56.01 1s28 s HIS 28 Cb 0.00 -2.96 -0.09 0.00 1.11 0.00 0.00 32.58 30.65 1s28 s HIS 28 CO 0.04 -1.33 0.83 -2.00 -0.85 0.00 0.00 174.74 171.42 1s28 s GLU 29 N -5.13 4.02 0.00 1.40 2.12 -1.26 -3.56 118.70 116.29 1s28 s GLU 29 Ca 0.59 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.70 1s28 s GLU 29 Cb -0.13 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1s28 s GLU 29 CO 0.54 0.02 0.00 0.72 -0.54 0.00 0.00 175.26 176.01 1s28 n HIS 30 N -0.75 0.00 -2.19 5.30 8.25 -1.26 -4.97 115.22 119.61 1s28 n HIS 30 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1s28 n HIS 30 Cb 0.54 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.06 3.85 0.00 -0.41 2.12 -1.23 -1.00 118.70 121.97 1s28 s GLU 31 Ca 0.00 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.24 1s28 s GLU 31 Cb 0.00 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1s28 s GLU 31 CO 0.00 -0.51 0.00 1.33 -0.54 0.00 0.00 175.26 175.54 1s28 n VAL 32 N -0.22 0.00 -3.95 3.70 0.24 -0.82 -4.87 118.33 112.41 1s28 n VAL 32 Ca 0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.25 1s28 n VAL 32 Cb 0.46 -0.23 -0.12 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.19 0.20 -0.19 6.34 4.12 -1.23 -4.98 117.35 120.42 1s28 s TYR 33 Ca 0.00 -0.30 -0.08 0.00 0.02 0.00 0.00 57.07 56.72 1s28 s TYR 33 Cb 0.00 -0.14 0.08 0.00 -1.52 0.00 0.00 41.96 40.38 1s28 s TYR 33 CO 0.00 -0.10 0.42 0.00 0.02 0.00 0.00 175.55 175.89 1s28 s PHE 35 N 2.24 2.29 -0.20 0.00 0.40 -0.57 -4.33 117.98 117.81 1s28 s PHE 35 Ca -0.04 -0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 55.46 1s28 s PHE 35 Cb -0.11 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1s28 s PHE 35 CO -0.13 -0.30 -0.10 -2.00 0.70 0.00 0.00 175.22 173.39 1s28 s GLU 36 N 0.16 3.26 -0.83 0.44 2.12 0.87 -1.05 118.70 123.66 1s28 s GLU 36 Ca -0.11 -0.69 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 1s28 s GLU 36 Cb -0.15 -2.85 0.21 0.00 0.26 0.00 0.00 34.13 31.60 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 1.35 3.77 0.49 5.30 0.40 -0.39 0.12 117.98 129.02 1s28 s PHE 37 Ca 0.04 -2.47 0.17 0.00 -0.60 0.00 0.00 56.93 54.08 1s28 s PHE 37 Cb -0.14 -3.56 1.20 0.00 0.51 0.00 0.00 43.02 41.02 1s28 s PHE 37 CO -0.06 -0.90 2.04 0.87 0.70 0.00 0.00 175.22 177.87 1s28 h LYS 38 N 7.10 0.18 -0.82 0.44 1.57 -1.93 -2.14 116.57 120.97 1s28 h LYS 38 Ca 0.10 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1s28 h LYS 38 Cb 0.95 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.15 1s28 h LYS 38 CO 0.80 0.12 0.46 0.93 -0.57 0.00 0.00 179.45 181.19 1s28 h GLU 39 N 0.18 0.74 -0.40 3.15 5.08 -1.91 -2.60 114.58 118.82 1s28 h GLU 39 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1s28 h GLU 39 Cb 0.49 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1s28 h GLU 39 CO -0.03 0.49 0.00 1.33 -1.00 0.00 0.00 179.01 179.80 1s28 n VAL 40 N -4.76 1.74 -3.26 3.13 0.24 -0.94 -4.99 118.33 109.50 1s28 n VAL 40 Ca 0.14 -1.39 -0.22 0.00 -2.04 0.00 0.00 64.34 60.83 1s28 n VAL 40 Cb 0.29 0.10 -0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.31 -3.87 -4.30 -1.34 7.64 -0.85 -4.84 113.62 106.37 1s28 n SER 41 Ca 0.19 -0.33 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 1s28 n SER 41 Cb 0.74 -3.21 -0.16 0.00 -1.01 0.00 0.00 64.21 60.58 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 -2.92 2.10 -0.02 0.44 1.01 -1.12 -1.40 121.20 119.29 1s28 s ILE 42 Ca 0.36 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1s28 s ILE 42 Cb -0.19 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1s28 s ILE 42 CO 0.44 0.58 -0.23 -0.13 0.00 0.00 0.00 174.94 175.60 1s28 s ARG 43 N -0.43 2.19 -0.22 2.79 0.52 0.26 -1.26 118.95 122.79 1s28 s ARG 43 Ca 0.05 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1s28 s ARG 43 Cb -0.12 -2.13 0.01 0.00 0.52 0.00 0.00 34.95 33.24 1s28 s ARG 43 CO 0.01 0.57 -0.09 0.42 0.02 0.00 0.00 175.30 176.24 1s28 s ILE 44 N -0.66 2.86 0.26 1.52 -1.09 -0.21 0.11 121.20 123.98 1s28 s ILE 44 Ca 0.11 -0.82 0.09 0.00 -2.23 0.00 0.00 60.65 57.80 1s28 s ILE 44 Cb -0.10 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1s28 s ILE 44 CO -0.00 0.36 0.06 -0.31 -1.23 0.00 0.00 174.94 173.81 1s28 s TYR 45 N 1.37 2.82 -0.16 3.97 1.51 -0.38 -1.51 117.35 124.97 1s28 s TYR 45 Ca 0.03 -0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1s28 s TYR 45 Cb -0.15 -1.26 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 1s28 s TYR 45 CO -0.06 0.59 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.82 1s28 s GLN 46 N -3.71 0.97 1.14 -0.62 0.74 -0.80 -0.22 119.66 117.16 1s28 s GLN 46 Ca 0.32 -0.37 -0.15 0.00 0.05 0.00 0.00 55.36 55.21 1s28 s GLN 46 Cb -0.07 -1.85 0.19 0.00 1.10 0.00 0.00 33.01 32.38 1s28 s GLN 46 CO 0.21 -0.49 0.53 -3.47 -0.55 0.00 0.00 175.29 171.52 1s28 n ASP 47 N 4.99 -2.00 0.07 6.67 2.03 0.11 -1.95 116.55 126.47 1s28 n ASP 47 Ca -0.10 -0.11 0.12 0.00 0.52 0.00 0.00 54.79 55.23 1s28 n ASP 47 Cb 0.48 -1.13 0.21 0.00 -0.72 0.00 0.00 41.12 39.97 1s28 n ASP 47 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s28 n LYS 48 N -3.49 0.29 -0.92 -0.67 4.81 -0.17 -3.54 118.16 114.47 1s28 n LYS 48 Ca 0.02 0.11 -0.06 0.00 -0.87 0.00 0.00 58.31 57.52 1s28 n LYS 48 Cb 0.58 -1.71 0.26 0.00 0.02 0.00 0.00 35.03 34.17 1s28 n LYS 48 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1s28 n PHE 49 N -2.16 2.05 -3.03 5.64 3.01 -1.26 -4.96 117.46 116.76 1s28 n PHE 49 Ca 0.04 -1.33 -0.12 0.00 1.01 0.00 0.00 57.45 57.05 1s28 n PHE 49 Cb 0.44 -0.63 0.06 0.00 -0.01 0.00 0.00 39.48 39.34 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 -0.55 -4.66 -5.12 -1.08 4.76 -1.23 -4.94 118.16 105.34 1s28 n LYS 50 Ca 0.39 0.62 -0.29 0.00 -2.87 0.00 0.00 58.31 56.16 1s28 n LYS 50 Cb 1.29 -4.94 -0.16 0.00 -1.84 0.00 0.00 35.03 29.39 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 -3.26 2.06 -0.00 2.13 0.52 -1.26 -1.60 118.94 117.52 1s28 s TRP 51 Ca 0.02 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.74 1s28 s TRP 51 Cb -0.00 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.96 1s28 s TRP 51 CO 0.53 -0.03 0.08 0.54 0.02 0.00 0.00 176.95 178.10 1s28 s VAL 52 N -0.55 4.75 0.08 4.03 0.11 -0.60 0.08 120.40 128.29 1s28 s VAL 52 Ca 0.09 -0.40 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1s28 s VAL 52 Cb -0.09 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1s28 s VAL 52 CO -0.01 0.35 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.62 1s28 s TYR 53 N -1.20 1.55 -0.18 1.54 1.51 0.70 -1.70 117.35 119.56 1s28 s TYR 53 Ca 0.23 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1s28 s TYR 53 Cb -0.12 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1s28 s TYR 53 CO 0.14 0.12 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.55 1s28 s PHE 54 N -1.09 2.14 -0.14 2.71 0.40 -0.72 -1.25 117.98 120.03 1s28 s PHE 54 Ca 0.03 -1.38 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 1s28 s PHE 54 Cb -0.09 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 1s28 s PHE 54 CO 0.03 -0.69 -0.15 -1.17 0.70 0.00 0.00 175.22 173.94 1s28 s LEU 55 N 1.49 2.56 -0.03 -0.37 2.96 0.12 -1.85 118.68 123.56 1s28 s LEU 55 Ca -0.00 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1s28 s LEU 55 Cb -0.16 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1s28 s LEU 55 CO -0.08 0.13 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.29 1s28 s SER 56 N 0.57 2.75 -0.35 3.68 0.15 -0.47 0.89 113.70 120.92 1s28 s SER 56 Ca -0.09 -0.43 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 1s28 s SER 56 Cb -0.16 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1s28 s SER 56 CO 0.03 0.27 0.13 -1.81 1.20 0.00 0.00 173.24 173.06 1s28 s ASP 57 N -0.41 5.42 0.26 5.45 1.01 -0.49 -1.23 116.67 126.68 1s28 s ASP 57 Ca 0.05 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.20 1s28 s ASP 57 Cb -0.10 -1.91 0.34 0.00 1.01 0.00 0.00 42.92 42.26 1s28 s ASP 57 CO 0.00 -0.35 1.70 0.40 0.21 0.00 0.00 175.17 177.13 1s28 h ILE 58 N 6.10 1.27 0.00 0.77 2.04 -1.80 -3.47 117.51 122.42 1s28 h ILE 58 Ca -0.24 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1s28 h ILE 58 Cb 1.09 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1s28 h ILE 58 CO 0.62 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.79 1s28 n GLY 59 N -0.35 0.10 3.64 5.37 0.00 -1.23 -4.91 105.19 107.80 1s28 n GLY 59 Ca -0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.44 2.97 -0.19 1.61 1.01 -1.26 0.08 120.40 124.18 1s28 s VAL 60 Ca 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 1s28 s VAL 60 Cb 0.00 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.68 1s28 s VAL 60 CO 0.00 -0.28 0.22 0.27 0.00 0.00 0.00 175.10 175.31 1s28 s ILE 61 N -2.43 -0.32 0.00 2.22 -4.36 -1.26 -4.87 121.20 110.19 1s28 s ILE 61 Ca 0.34 -0.08 0.11 0.00 -0.26 0.00 0.00 60.65 60.75 1s28 s ILE 61 Cb -0.03 -0.65 -0.12 0.00 1.25 0.00 0.00 42.46 42.91 1s28 s ILE 61 CO 0.20 -0.18 1.25 -2.24 0.24 0.00 0.00 174.94 174.21 1s28 h ASP 62 N 8.32 0.00 -3.32 4.36 3.04 -1.91 -3.45 116.42 123.45 1s28 h ASP 62 Ca -0.17 0.00 -0.66 0.00 -3.24 0.00 0.00 57.03 52.97 1s28 h ASP 62 Cb 1.15 0.00 -0.28 0.00 -1.04 0.00 0.00 39.33 39.16 1s28 h ASP 62 CO 0.27 0.81 -0.76 0.21 -2.04 0.00 0.00 179.24 177.74 1s28 s ASN 63 N -6.52 4.05 0.23 4.15 3.04 -1.26 -5.10 114.94 113.53 1s28 s ASN 63 Ca 0.01 -0.39 -0.22 0.00 0.04 0.00 0.00 52.86 52.30 1s28 s ASN 63 Cb 0.09 -1.66 0.04 0.00 -1.54 0.00 0.00 41.25 38.19 1s28 s ASN 63 CO 0.80 0.06 0.67 -0.76 -3.04 0.00 0.00 177.10 174.83 1s28 s LEU 64 N 0.96 -0.40 0.00 3.21 1.43 -1.26 -5.03 118.68 117.59 1s28 s LEU 64 Ca -0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1s28 s LEU 64 Cb -0.15 2.67 0.00 0.00 0.03 0.00 0.00 46.19 48.74 1s28 s LEU 64 CO -0.01 -1.18 0.00 0.47 0.23 0.00 0.00 176.35 175.86 1s28 n ASP 65 N -0.42 0.18 0.01 2.29 8.00 -1.26 -5.02 116.55 120.32 1s28 n ASP 65 Ca -0.10 -0.52 0.13 0.00 0.71 0.00 0.00 54.79 55.01 1s28 n ASP 65 Cb 0.62 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 42.07 1s28 n ASP 65 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1s28 n SER 66 N -1.48 0.38 -0.09 -2.24 3.41 -1.26 -3.14 113.62 109.20 1s28 n SER 66 Ca 0.00 0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.39 1s28 n SER 66 Cb 0.00 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1s28 n SER 66 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s28 n ASN 67 N -1.56 1.98 0.04 4.04 6.94 -1.26 -3.45 115.26 121.99 1s28 n ASN 67 Ca 0.06 0.23 -0.11 0.00 -0.02 0.00 0.00 54.58 54.73 1s28 n ASN 67 Cb 0.35 -0.79 -0.04 0.00 -2.36 0.00 0.00 39.78 36.94 1s28 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s28 h ALA 68 N -0.37 -0.38 -0.43 -2.53 0.00 -1.96 -1.45 119.26 112.14 1s28 h ALA 68 Ca -0.51 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1s28 h ALA 68 Cb 1.70 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.96 1s28 h ALA 68 CO -0.16 -0.78 -0.25 0.00 0.00 0.00 0.00 179.25 178.05 1s28 h GLN 70 N 0.00 -0.08 -1.02 0.00 4.20 -1.34 0.54 115.11 117.41 1s28 h GLN 70 Ca 0.07 0.01 0.30 0.00 0.06 0.00 0.00 58.65 59.08 1s28 h GLN 70 Cb 0.17 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1s28 h GLN 70 CO -0.40 -0.05 0.90 0.77 -0.67 0.00 0.00 178.83 179.38 1s28 h SER 71 N -0.08 0.00 0.06 1.46 0.02 -0.70 1.14 113.55 115.45 1s28 h SER 71 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s28 h SER 71 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1s28 h SER 71 CO -0.47 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 175.44 1s28 h LEU 72 N 0.00 -0.07 0.00 5.07 5.85 0.74 -3.22 115.31 123.67 1s28 h LEU 72 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1s28 h LEU 72 Cb 2.28 0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.33 1s28 h LEU 72 CO -0.01 0.15 0.00 -0.11 -0.34 0.00 0.00 178.44 178.13 1s28 n LEU 73 N -3.31 0.00 0.00 2.25 0.00 0.46 0.49 117.00 116.90 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 -0.01 0.00 0.00 0.00 0.00 43.42 43.44 1s28 n LEU 73 CO 0.02 0.00 0.03 -1.14 0.00 0.00 0.00 177.39 176.31 1s28 n ARG 74 N -0.72 0.08 0.07 1.96 3.00 0.37 -3.79 116.66 117.63 1s28 n ARG 74 Ca 0.02 -0.01 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1s28 n ARG 74 Cb 0.01 -1.52 0.48 0.00 0.00 0.00 0.00 32.46 31.43 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 -1.61 0.45 -0.70 6.15 4.77 0.18 -2.94 117.00 123.29 1s28 n LEU 75 Ca 0.04 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1s28 n LEU 75 Cb 0.36 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1s28 n LEU 75 CO 0.41 -0.19 0.63 0.59 -1.33 0.00 0.00 177.39 177.50 1s28 n ASN 76 N -1.94 2.03 -4.62 -1.43 3.02 -1.25 -4.90 115.26 106.17 1s28 n ASN 76 Ca 0.05 -2.03 -0.40 0.00 -0.03 0.00 0.00 54.58 52.17 1s28 n ASN 76 Cb 0.34 -0.27 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 0.54 1.29 -2.02 3.52 0.28 -1.15 -4.91 120.64 118.18 1s28 n GLU 77 Ca 0.12 0.47 -0.34 0.00 -0.16 0.00 0.00 57.16 57.25 1s28 n GLU 77 Cb 0.33 -2.12 0.02 0.00 1.43 0.00 0.00 31.44 31.10 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 -1.35 2.70 -0.21 -1.84 5.36 -1.26 -5.05 117.98 116.34 1s28 s PHE 78 Ca 0.67 1.54 -0.36 0.00 -0.96 0.00 0.00 56.93 57.82 1s28 s PHE 78 Cb -0.50 -3.19 0.14 0.00 -0.34 0.00 0.00 43.02 39.13 1s28 s PHE 78 CO 0.54 -1.53 1.27 0.54 -1.46 0.00 0.00 175.22 174.58 1s28 s ASN 79 N -2.27 -0.09 -0.49 6.13 2.20 -1.26 -5.06 114.94 114.10 1s28 s ASN 79 Ca 0.69 -0.01 -0.03 0.00 -0.94 0.00 0.00 52.86 52.58 1s28 s ASN 79 Cb -0.21 0.10 0.19 0.00 -2.00 0.00 0.00 41.25 39.33 1s28 s ASN 79 CO 0.34 -0.16 2.38 0.18 -2.94 0.00 0.00 177.10 176.89 1s28 n LEU 80 N -0.09 6.76 -4.83 3.54 4.77 -1.26 -4.96 117.00 120.93 1s28 n LEU 80 Ca 0.02 -3.98 -0.38 0.00 -0.03 0.00 0.00 56.01 51.64 1s28 n LEU 80 Cb 0.58 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1s28 n LEU 80 CO 0.09 1.56 0.13 -0.13 -1.33 0.00 0.00 177.39 177.71 1s28 s ARG 81 N -2.30 3.96 0.78 3.23 1.81 -1.26 -5.06 118.95 120.10 1s28 s ARG 81 Ca 0.51 0.46 -0.13 0.00 -1.72 0.00 0.00 55.73 54.84 1s28 s ARG 81 Cb 0.37 -3.22 0.07 0.00 -0.45 0.00 0.00 34.95 31.71 1s28 s ARG 81 CO -0.16 0.69 1.18 0.95 -0.68 0.00 0.00 175.30 177.28 1s28 s THR 82 N -1.09 2.30 -0.18 0.02 -4.23 -1.26 -4.00 115.64 107.21 1s28 s THR 82 Ca 0.24 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.73 1s28 s THR 82 Cb -0.17 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1s28 s THR 82 CO 0.14 -0.10 0.27 -2.65 -0.54 0.00 0.00 174.62 171.74 1s28 n PRO 83 N -3.18 -0.86 -3.01 3.99 -0.02 -1.26 -4.87 135.00 125.80 1s28 n PRO 83 Ca 0.13 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 62.04 1s28 n PRO 83 Cb 0.51 -1.13 -0.05 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.92 3.63 -0.39 6.00 5.36 -1.26 -5.04 117.98 125.36 1s28 s PHE 84 Ca 0.16 1.35 -0.16 0.00 -0.96 0.00 0.00 56.93 57.31 1s28 s PHE 84 Cb -0.02 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1s28 s PHE 84 CO 0.35 0.14 0.39 -0.06 -1.46 0.00 0.00 175.22 174.58 1s28 s PHE 85 N 0.55 3.19 0.02 10.12 0.40 -1.26 -4.58 117.98 126.42 1s28 s PHE 85 Ca 0.39 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 56.16 1s28 s PHE 85 Cb -0.19 -2.77 -0.05 0.00 0.51 0.00 0.00 43.02 40.53 1s28 s PHE 85 CO 0.20 -0.59 0.82 0.99 0.70 0.00 0.00 175.22 177.34 1s28 s THR 86 N 2.02 4.80 -0.20 0.64 2.01 -0.49 -4.89 115.64 119.54 1s28 s THR 86 Ca 0.11 1.74 -0.05 0.00 0.31 0.00 0.00 61.69 63.79 1s28 s THR 86 Cb -0.17 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1s28 s THR 86 CO 0.12 0.29 0.00 -0.69 -0.69 0.00 0.00 174.62 173.65 1s28 s VAL 87 N 0.38 4.01 0.00 3.82 1.01 -1.26 -1.86 120.40 126.50 1s28 s VAL 87 Ca 0.42 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1s28 s VAL 87 Cb -0.20 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1s28 s VAL 87 CO 0.24 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1s28 n GLY 88 N 4.16 3.92 3.16 4.51 0.00 -0.21 -4.88 105.19 115.85 1s28 n GLY 88 Ca -0.17 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 2.01 1.01 0.99 2.96 -1.26 -2.57 118.68 121.81 1s28 s LEU 89 Ca 0.00 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.24 1s28 s LEU 89 Cb 0.00 -1.33 0.18 0.00 0.50 0.00 0.00 46.19 45.54 1s28 s LEU 89 CO 0.00 0.09 0.35 -3.20 -1.32 0.00 0.00 176.35 172.28 1s28 n ASN 90 N 3.89 -3.05 -0.24 3.68 5.15 0.12 -4.78 115.26 120.02 1s28 n ASN 90 Ca -0.20 -0.41 0.01 0.00 -0.60 0.00 0.00 54.58 53.38 1s28 n ASN 90 Cb 0.52 -0.77 0.02 0.00 -0.53 0.00 0.00 39.78 39.02 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 -1.88 1.14 -2.71 1.20 1.02 -1.26 -3.21 120.64 114.94 1s28 n GLU 91 Ca 0.06 -0.16 -0.04 0.00 -0.02 0.00 0.00 57.16 57.00 1s28 n GLU 91 Cb 0.35 -1.20 0.09 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.24 1.35 -4.13 3.49 5.02 -1.26 -5.00 118.16 117.38 1s28 n LYS 92 Ca 0.01 -2.21 -0.33 0.00 -2.02 0.00 0.00 58.31 53.76 1s28 n LYS 92 Cb 0.12 -0.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.81 -3.33 -4.70 1.97 4.01 -1.20 -4.96 118.16 109.14 1s28 n LYS 93 Ca -0.04 0.39 -0.33 0.00 -0.51 0.00 0.00 58.31 57.82 1s28 n LYS 93 Cb 0.84 -4.94 -0.12 0.00 -0.51 0.00 0.00 35.03 30.30 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 -3.61 4.38 0.24 4.39 1.01 -1.26 -4.40 116.67 117.41 1s28 s ASP 94 Ca 0.52 -0.13 -0.30 0.00 0.71 0.00 0.00 52.55 53.34 1s28 s ASP 94 Cb -0.28 -1.22 -0.14 0.00 1.01 0.00 0.00 42.92 42.28 1s28 s ASP 94 CO 0.91 0.30 1.13 0.61 0.21 0.00 0.00 175.17 178.34 1s28 n GLY 95 N 2.62 0.03 3.35 0.21 0.00 0.11 0.12 105.19 111.63 1s28 n GLY 95 Ca -0.18 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.59 -0.01 -0.07 1.61 0.11 -1.06 -2.37 120.40 118.00 1s28 s VAL 96 Ca 0.65 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.72 1s28 s VAL 96 Cb -0.74 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1s28 s VAL 96 CO 0.56 0.02 0.05 -0.69 -3.33 0.00 0.00 175.10 171.71 1s28 s VAL 97 N 0.95 0.02 0.29 2.04 1.01 -0.37 -1.04 120.40 123.30 1s28 s VAL 97 Ca -0.06 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1s28 s VAL 97 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1s28 s VAL 97 CO -0.08 0.11 0.15 -1.38 0.00 0.00 0.00 175.10 173.90 1s28 s HIS 98 N 2.11 1.55 0.26 5.22 -3.43 -0.78 -1.37 115.29 118.86 1s28 s HIS 98 Ca 0.04 -1.36 -0.15 0.00 -0.80 0.00 0.00 55.06 52.80 1s28 s HIS 98 Cb -0.13 -0.82 0.00 0.00 -1.43 0.00 0.00 32.58 30.20 1s28 s HIS 98 CO -0.05 -0.52 0.56 0.99 -2.00 0.00 0.00 174.74 173.72 1s28 s THR 99 N -3.68 0.00 -0.02 -5.38 2.01 -0.77 -1.39 115.64 106.41 1s28 s THR 99 Ca 0.37 -1.28 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 1s28 s THR 99 Cb 0.06 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.42 1s28 s THR 99 CO 0.17 0.00 0.27 0.00 -0.69 0.00 0.00 174.62 174.37 1s28 s ARG 100 N -3.95 0.60 -0.21 4.92 1.70 -1.26 -1.76 118.95 118.99 1s28 s ARG 100 Ca 0.19 -0.18 -0.15 0.00 -0.47 0.00 0.00 55.73 55.12 1s28 s ARG 100 Cb -0.02 0.27 0.06 0.00 -0.57 0.00 0.00 34.95 34.68 1s28 s ARG 100 CO 0.09 -0.16 0.54 0.42 -1.08 0.00 0.00 175.30 175.11 1s28 s ILE 101 N -1.21 -0.01 0.62 4.99 1.01 -0.69 -4.89 121.20 121.03 1s28 s ILE 101 Ca -0.13 0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 1s28 s ILE 101 Cb -0.05 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1s28 s ILE 101 CO 0.03 0.01 1.20 -2.16 0.00 0.00 0.00 174.94 174.03 1s28 s PRO 102 N 1.00 2.81 0.24 2.79 0.04 -1.26 -1.55 135.00 139.07 1s28 s PRO 102 Ca -0.06 1.79 0.19 0.00 0.04 0.00 0.00 61.00 62.95 1s28 s PRO 102 Cb -0.06 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1s28 s PRO 102 CO -0.09 -1.32 1.24 1.25 0.04 0.00 0.00 177.00 178.12 1s28 h LEU 103 N 0.62 0.00 -9.28 -3.56 5.85 -1.65 -3.44 115.31 103.85 1s28 h LEU 103 Ca -0.50 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.64 1s28 h LEU 103 Cb 1.29 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.34 1s28 h LEU 103 CO 0.54 0.32 1.17 -0.11 -0.34 0.00 0.00 178.44 180.02 1s28 n LEU 104 N -3.00 3.67 -3.09 2.25 7.94 -1.26 -1.87 117.00 121.63 1s28 n LEU 104 Ca -0.01 0.91 -0.23 0.00 -1.11 0.00 0.00 56.01 55.58 1s28 n LEU 104 Cb 0.68 -1.43 0.04 0.00 0.53 0.00 0.00 43.42 43.25 1s28 n LEU 104 CO 0.40 0.00 0.04 -3.20 -1.11 0.00 0.00 177.39 173.52 1s28 n ASN 105 N 7.20 -6.17 -4.00 1.96 4.05 -1.26 -5.01 115.26 112.03 1s28 n ASN 105 Ca 0.22 -0.33 -0.30 0.00 0.45 0.00 0.00 54.58 54.62 1s28 n ASN 105 Cb 0.34 -4.95 -0.16 0.00 1.23 0.00 0.00 39.78 36.23 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 -6.74 2.13 0.67 1.20 2.96 -0.78 -5.13 118.68 112.99 1s28 s LEU 106 Ca 0.35 -0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1s28 s LEU 106 Cb -0.15 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1s28 s LEU 106 CO 0.43 -0.13 1.06 -0.62 -1.32 0.00 0.00 176.35 175.78 1s28 s ASP 107 N 1.43 5.74 0.40 3.68 2.15 -1.26 -4.87 116.67 123.93 1s28 s ASP 107 Ca 0.00 1.33 0.10 0.00 0.43 0.00 0.00 52.55 54.41 1s28 s ASP 107 Cb -0.15 -2.25 0.83 0.00 -0.30 0.00 0.00 42.92 41.05 1s28 s ASP 107 CO -0.09 -1.18 1.95 -0.55 -0.17 0.00 0.00 175.17 175.14 1s28 h ASN 108 N -0.54 0.24 -0.53 -0.34 -1.07 -1.96 -2.81 115.58 108.57 1s28 h ASN 108 Ca -0.45 -0.04 0.02 0.00 0.07 0.00 0.00 56.30 55.90 1s28 h ASN 108 Cb 1.22 -0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 37.38 1s28 h ASN 108 CO 0.62 0.35 0.33 0.58 0.07 0.00 0.00 177.43 179.38 1s28 h VAL 109 N 0.25 1.08 0.00 6.14 2.07 -1.94 0.95 116.25 124.81 1s28 h VAL 109 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1s28 h VAL 109 Cb 0.29 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1s28 h VAL 109 CO 0.01 0.12 0.00 1.21 0.02 0.00 0.00 177.57 178.93 1s28 n GLU 110 N -4.76 0.46 0.00 1.57 2.13 -1.06 -2.16 120.64 116.82 1s28 n GLU 110 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1s28 n GLU 110 Cb 0.06 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.50 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 1.27 0.00 -0.10 5.31 5.12 0.33 -0.66 116.66 127.93 1s28 n ARG 112 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1s28 n ARG 112 Cb 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.53 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 -0.07 -0.58 5.56 3.08 -1.70 0.37 114.38 121.04 1s28 h ARG 113 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1s28 h ARG 113 Cb 0.00 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 1s28 h ARG 113 CO 0.00 -0.05 0.14 0.28 -1.07 0.00 0.00 179.97 179.28 1s28 h VAL 114 N -0.08 0.69 0.38 2.04 2.07 -1.19 0.84 116.25 121.01 1s28 h VAL 114 Ca 0.18 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1s28 h VAL 114 Cb 0.35 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1s28 h VAL 114 CO -0.41 0.05 -0.32 0.15 0.02 0.00 0.00 177.57 177.06 1s28 h PHE 115 N 0.29 -0.88 -0.48 1.57 3.57 -1.15 0.57 116.94 120.43 1s28 h PHE 115 Ca 0.30 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.90 1s28 h PHE 115 Cb 0.42 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1s28 h PHE 115 CO -0.22 -0.44 -0.19 0.93 -2.23 0.00 0.00 178.31 176.15 1s28 h GLU 116 N -0.69 -0.08 -0.81 1.11 4.39 0.21 0.29 114.58 119.00 1s28 h GLU 116 Ca -0.05 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.82 1s28 h GLU 116 Cb 0.58 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 1s28 h GLU 116 CO -0.00 -0.06 0.34 0.00 -1.16 0.00 0.00 179.01 178.13 1s28 h ALA 117 N 1.28 1.20 -0.81 3.43 0.00 0.91 0.99 119.26 126.26 1s28 h ALA 117 Ca 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1s28 h ALA 117 Cb 0.44 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1s28 h ALA 117 CO -0.54 -0.23 0.39 1.25 0.00 0.00 0.00 179.25 180.12 1s28 h LEU 118 N 0.45 1.05 0.61 0.00 5.85 0.19 -1.33 115.31 122.13 1s28 h LEU 118 Ca 0.46 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1s28 h LEU 118 Cb 0.76 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1s28 h LEU 118 CO -0.44 0.89 -0.37 0.25 -0.34 0.00 0.00 178.44 178.42 1s28 h LEU 119 N 1.14 -0.95 -0.68 2.25 6.46 0.88 -1.16 115.31 123.25 1s28 h LEU 119 Ca 0.28 0.05 0.14 0.00 -0.12 0.00 0.00 57.88 58.23 1s28 h LEU 119 Cb 0.11 0.28 -0.13 0.00 -0.73 0.00 0.00 40.66 40.19 1s28 h LEU 119 CO -0.04 -0.58 -0.10 0.78 -0.62 0.00 0.00 178.44 177.88 1s28 h ASN 120 N -0.92 -0.51 -0.81 1.25 2.35 -1.16 0.98 115.58 116.75 1s28 h ASN 120 Ca -0.08 0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1s28 h ASN 120 Cb 0.74 0.38 -0.05 0.00 0.05 0.00 0.00 38.32 39.44 1s28 h ASN 120 CO 0.08 -0.20 0.52 0.25 -1.65 0.00 0.00 177.43 176.44 1s28 h LEU 121 N 0.04 0.87 -1.35 1.61 5.85 -1.11 0.82 115.31 122.03 1s28 h LEU 121 Ca 0.34 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1s28 h LEU 121 Cb 0.55 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1s28 h LEU 121 CO -0.66 0.60 0.20 0.28 -0.34 0.00 0.00 178.44 178.52 1s28 h SER 122 N 1.02 0.58 0.29 1.25 0.02 0.40 -0.21 113.55 116.90 1s28 h SER 122 Ca 0.32 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1s28 h SER 122 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1s28 h SER 122 CO -0.11 0.51 -0.14 1.23 -1.14 0.00 0.00 176.83 177.18 1s28 h GLY 123 N 0.77 -0.41 -0.42 -3.77 0.00 0.92 0.73 103.07 100.89 1s28 h GLY 123 Ca 0.16 0.15 0.24 0.00 0.00 0.00 0.00 47.33 47.88 1s28 h GLY 123 CO -0.02 -0.15 0.27 0.83 0.00 0.00 0.00 176.54 177.47 1s28 h GLU 124 N -0.40 0.23 -0.29 4.80 5.08 -0.92 0.12 114.58 123.20 1s28 h GLU 124 Ca -0.04 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1s28 h GLU 124 Cb 0.30 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1s28 h GLU 124 CO 0.07 0.15 -0.33 0.28 -1.00 0.00 0.00 179.01 178.17 1s28 h VAL 125 N 0.24 1.29 -0.12 3.13 2.07 -0.95 -3.20 116.25 118.69 1s28 h VAL 125 Ca 0.56 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1s28 h VAL 125 Cb 1.13 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1s28 h VAL 125 CO -0.64 0.47 0.02 0.50 0.02 0.00 0.00 177.57 177.94 1s28 h LYS 126 N 0.53 0.21 -2.29 1.57 3.64 0.17 -2.72 116.57 117.67 1s28 h LYS 126 Ca 0.06 -0.06 -0.44 0.00 -1.27 0.00 0.00 60.65 58.94 1s28 h LYS 126 Cb 0.83 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1s28 h LYS 126 CO 0.07 0.40 1.06 1.63 -2.27 0.00 0.00 179.45 180.33 1s28 n LYS 127 N -4.83 2.80 0.00 1.90 5.02 -0.63 -0.86 118.16 121.56 1s28 n LYS 127 Ca -0.06 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1s28 n LYS 127 Cb 0.17 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 2.22 0.00 0.60 -0.18 -1.04 -1.18 -4.89 114.28 109.80 1s28 n THR 128 Ca 0.54 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.63 1s28 n THR 128 Cb 0.60 -0.02 0.06 0.00 -1.82 0.00 0.00 70.33 69.15 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 -2.20 0.01 -0.51 -1.42 3.01 -1.03 -5.14 117.46 110.18 1s28 n PHE 129 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1s28 n PHE 129 Cb 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1s28 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18