#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 3.11 0.00 4.61 0.00 -1.26 -2.85 120.51 124.11 1s28 n ALA 2 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1s28 n ALA 2 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.69 0.00 -0.19 0.00 3.00 -1.26 -1.25 118.16 119.15 1s28 n LYS 4 Ca 0.03 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.51 1s28 n LYS 4 Cb 0.55 0.00 0.50 0.00 0.00 0.00 0.00 35.03 36.08 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 0.40 0.27 3.14 2.35 -1.96 0.65 115.58 120.43 1s28 h ASN 5 Ca 0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1s28 h ASN 5 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1s28 h ASN 5 CO 0.00 0.20 -0.13 -1.28 -1.65 0.00 0.00 177.43 174.57 1s28 h SER 6 N 0.42 -0.30 -0.85 5.81 0.87 -1.47 -1.82 113.55 116.22 1s28 h SER 6 Ca 0.40 -0.19 0.11 0.00 -1.23 0.00 0.00 61.79 60.88 1s28 h SER 6 Cb 0.93 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 1s28 h SER 6 CO -0.14 0.05 0.55 0.15 -0.53 0.00 0.00 176.83 176.92 1s28 h PHE 7 N -0.69 0.84 0.72 2.24 3.57 -1.57 -1.81 116.94 120.23 1s28 h PHE 7 Ca -0.04 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1s28 h PHE 7 Cb 0.48 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1s28 h PHE 7 CO 0.02 0.36 -0.34 -0.44 -2.23 0.00 0.00 178.31 175.68 1s28 h ASP 8 N 0.76 -0.81 -0.99 0.41 3.32 -0.70 -2.04 116.42 116.36 1s28 h ASP 8 Ca 0.40 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.70 1s28 h ASP 8 Cb 0.52 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.16 1s28 h ASP 8 CO -0.17 -0.55 0.57 0.03 -1.72 0.00 0.00 179.24 177.40 1s28 h ARG 9 N -1.01 0.57 0.11 3.56 3.08 -0.55 0.42 114.38 120.56 1s28 h ARG 9 Ca -0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1s28 h ARG 9 Cb 0.75 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1s28 h ARG 9 CO 0.16 0.38 -0.13 1.25 -1.07 0.00 0.00 179.97 180.56 1s28 h LEU 10 N 0.58 -0.37 -0.27 3.04 5.85 -0.98 -0.13 115.31 123.05 1s28 h LEU 10 Ca 0.62 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.43 1s28 h LEU 10 Cb 1.16 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 1s28 h LEU 10 CO -0.47 -0.17 -0.47 0.40 -0.34 0.00 0.00 178.44 177.39 1s28 h ILE 11 N -0.25 0.08 -0.80 4.05 1.08 -0.39 -0.40 117.51 120.88 1s28 h ILE 11 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 1s28 h ILE 11 Cb 0.22 0.08 -0.14 0.00 -3.07 0.00 0.00 36.82 33.90 1s28 h ILE 11 CO -0.03 0.00 -0.05 -0.78 -0.69 0.00 0.00 178.15 176.60 1s28 h ASP 12 N -0.44 -0.49 -0.49 1.72 -0.00 -0.21 0.10 116.42 116.61 1s28 h ASP 12 Ca 0.09 0.22 -0.02 0.00 -0.00 0.00 0.00 57.03 57.32 1s28 h ASP 12 Cb 0.62 0.41 -0.02 0.00 -0.00 0.00 0.00 39.33 40.34 1s28 h ASP 12 CO -0.50 -0.23 0.24 1.23 -0.00 0.00 0.00 179.24 179.98 1s28 h GLY 13 N 0.06 0.75 1.98 -0.78 0.00 0.58 -2.41 103.07 103.24 1s28 h GLY 13 Ca 0.43 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1s28 h GLY 13 CO -0.75 0.35 -0.32 1.41 0.00 0.00 0.00 176.54 177.24 1s28 h LEU 14 N 0.65 0.03 -0.13 3.11 4.07 0.32 -2.67 115.31 120.68 1s28 h LEU 14 Ca 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1s28 h LEU 14 Cb 0.11 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1s28 h LEU 14 CO -0.02 0.35 0.06 0.00 -1.08 0.00 0.00 178.44 177.74 1s28 h ALA 15 N 1.66 0.17 0.00 1.53 0.00 -0.58 0.24 119.26 122.28 1s28 h ALA 15 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s28 h ALA 15 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1s28 h ALA 15 CO 0.04 -0.26 -0.03 0.87 0.00 0.00 0.00 179.25 179.87 1s28 h LYS 16 N 0.08 0.00 -0.01 0.00 1.57 -1.11 0.81 116.57 117.91 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 -3.95 1.39 -0.27 0.86 8.00 -1.00 -4.55 116.55 117.03 1s28 n ASP 17 Ca -0.03 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1s28 n ASP 17 Cb 0.12 0.45 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 -0.17 0.00 0.00 1.24 4.02 0.80 -5.08 117.16 117.97 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 0.26 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 0.82 3.30 2.72 0.00 0.28 -4.87 105.19 107.44 1s28 n GLY 19 Ca 0.00 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 1s28 n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s28 s PRO 21 N 0.00 1.34 0.19 1.61 0.05 -1.26 -4.37 135.00 132.56 1s28 s PRO 21 Ca 0.00 -1.71 0.04 0.00 0.05 0.00 0.00 61.00 59.38 1s28 s PRO 21 Cb 0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 34.50 34.26 1s28 s PRO 21 CO 0.00 -0.26 0.27 0.20 0.05 0.00 0.00 177.00 177.26 1s28 s GLY 22 N -3.28 1.52 -0.68 0.56 0.00 0.26 -4.81 107.32 100.90 1s28 s GLY 22 Ca 0.35 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1s28 s GLY 22 CO 0.11 -1.18 0.48 -1.36 0.00 0.00 0.00 173.10 171.15 1s28 s PHE 23 N -1.86 3.38 1.16 1.90 0.40 -1.26 -0.12 117.98 121.57 1s28 s PHE 23 Ca 0.34 -3.26 -0.17 0.00 -0.60 0.00 0.00 56.93 53.23 1s28 s PHE 23 Cb -0.10 -2.57 0.18 0.00 0.51 0.00 0.00 43.02 41.04 1s28 s PHE 23 CO 0.27 -0.57 0.30 -2.30 0.70 0.00 0.00 175.22 173.63 1s28 n PRO 24 N 2.06 -2.19 -2.95 0.24 -0.02 -1.26 -4.99 135.00 125.89 1s28 n PRO 24 Ca 0.20 -0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 60.76 1s28 n PRO 24 Cb 0.36 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -3.76 3.74 -0.67 -0.52 2.02 -1.26 -4.89 118.70 113.37 1s28 s GLU 25 Ca 0.57 0.37 -0.26 0.00 0.02 0.00 0.00 54.97 55.67 1s28 s GLU 25 Cb -0.14 -2.44 -0.13 0.00 0.10 0.00 0.00 34.13 31.52 1s28 s GLU 25 CO 0.61 0.01 2.46 1.63 0.02 0.00 0.00 175.26 180.00 1s28 n LYS 26 N -1.24 0.69 -0.02 1.61 4.01 -1.26 -4.76 118.16 117.18 1s28 n LYS 26 Ca 0.02 -0.15 -0.01 0.00 -0.51 0.00 0.00 58.31 57.66 1s28 n LYS 26 Cb 0.54 -2.96 -0.00 0.00 -0.51 0.00 0.00 35.03 32.10 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 16.46 0.00 -7.38 1.97 3.64 -1.97 -3.48 116.57 125.81 1s28 h LYS 27 Ca -0.14 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 1.21 0.00 0.37 -1.01 -2.27 0.00 0.00 179.45 177.75 1s28 s HIS 28 N -1.28 3.11 0.40 1.91 3.76 -1.26 -5.05 115.29 116.88 1s28 s HIS 28 Ca -0.02 1.26 -0.15 0.00 -0.15 0.00 0.00 55.06 56.00 1s28 s HIS 28 Cb 0.00 -2.97 -0.08 0.00 1.11 0.00 0.00 32.58 30.64 1s28 s HIS 28 CO 0.03 -1.35 0.82 -2.00 -0.85 0.00 0.00 174.74 171.40 1s28 s GLU 29 N -5.14 3.95 0.00 1.40 2.12 -1.26 -3.56 118.70 116.21 1s28 s GLU 29 Ca 0.59 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.63 1s28 s GLU 29 Cb -0.13 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1s28 s GLU 29 CO 0.54 -0.01 0.00 0.72 -0.54 0.00 0.00 175.26 175.97 1s28 n HIS 30 N -0.94 0.00 -2.14 5.30 8.25 -1.26 -4.97 115.22 119.46 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 0.54 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.04 3.99 0.00 -0.41 2.12 -1.23 -0.98 118.70 122.14 1s28 s GLU 31 Ca 0.00 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1s28 s GLU 31 Cb 0.00 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1s28 s GLU 31 CO 0.00 -0.44 0.00 1.33 -0.54 0.00 0.00 175.26 175.61 1s28 n VAL 32 N 0.09 0.00 -3.99 3.70 0.24 -0.81 -4.87 118.33 112.69 1s28 n VAL 32 Ca 0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.23 1s28 n VAL 32 Cb 0.45 -0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.98 0.33 -0.22 6.34 4.12 -1.23 -4.98 117.35 120.74 1s28 s TYR 33 Ca 0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 57.07 56.57 1s28 s TYR 33 Cb 0.00 -0.22 0.09 0.00 -1.52 0.00 0.00 41.96 40.31 1s28 s TYR 33 CO 0.00 -0.13 0.49 0.00 0.02 0.00 0.00 175.55 175.93 1s28 s PHE 35 N 2.43 2.31 -0.22 0.00 0.40 -0.61 -4.33 117.98 117.96 1s28 s PHE 35 Ca -0.04 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.35 1s28 s PHE 35 Cb -0.11 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.87 1s28 s PHE 35 CO -0.15 -0.37 -0.07 -2.00 0.70 0.00 0.00 175.22 173.33 1s28 s GLU 36 N 0.36 3.22 -0.86 0.44 2.12 0.83 -1.07 118.70 123.74 1s28 s GLU 36 Ca -0.17 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.35 1s28 s GLU 36 Cb -0.17 -2.94 0.22 0.00 0.26 0.00 0.00 34.13 31.50 1s28 s GLU 36 CO 0.07 -0.24 0.79 -0.06 -0.54 0.00 0.00 175.26 175.28 1s28 s PHE 37 N 1.42 3.83 0.46 5.30 0.40 -0.38 0.92 117.98 129.93 1s28 s PHE 37 Ca 0.05 -2.39 0.16 0.00 -0.60 0.00 0.00 56.93 54.14 1s28 s PHE 37 Cb -0.14 -3.65 1.11 0.00 0.51 0.00 0.00 43.02 40.85 1s28 s PHE 37 CO -0.05 -0.93 2.01 0.87 0.70 0.00 0.00 175.22 177.83 1s28 h LYS 38 N 7.20 0.28 -0.73 0.44 1.57 -1.93 -2.08 116.57 121.32 1s28 h LYS 38 Ca 0.11 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1s28 h LYS 38 Cb 0.96 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1s28 h LYS 38 CO 0.81 0.19 0.36 0.93 -0.57 0.00 0.00 179.45 181.17 1s28 h GLU 39 N 0.29 0.57 -0.43 3.15 5.08 -1.91 -2.51 114.58 118.83 1s28 h GLU 39 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1s28 h GLU 39 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1s28 h GLU 39 CO -0.05 0.38 0.00 1.33 -1.00 0.00 0.00 179.01 179.67 1s28 n VAL 40 N -4.88 1.92 -3.38 3.13 0.24 -0.95 -4.98 118.33 109.43 1s28 n VAL 40 Ca 0.12 -1.43 -0.23 0.00 -2.04 0.00 0.00 64.34 60.76 1s28 n VAL 40 Cb 0.30 0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.34 -3.71 -4.27 -1.34 7.64 -0.83 -4.84 113.62 106.61 1s28 n SER 41 Ca 0.21 -0.40 -0.30 0.00 1.01 0.00 0.00 58.87 59.39 1s28 n SER 41 Cb 0.82 -3.07 -0.16 0.00 -1.01 0.00 0.00 64.21 60.79 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 -2.94 1.96 -0.00 0.44 1.01 -1.11 -1.47 121.20 119.10 1s28 s ILE 42 Ca 0.40 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1s28 s ILE 42 Cb -0.21 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1s28 s ILE 42 CO 0.50 0.55 -0.21 -0.13 0.00 0.00 0.00 174.94 175.65 1s28 s ARG 43 N -0.39 2.15 -0.21 2.79 0.52 0.24 -1.25 118.95 122.79 1s28 s ARG 43 Ca 0.04 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1s28 s ARG 43 Cb -0.11 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.22 1s28 s ARG 43 CO 0.01 0.56 -0.13 0.42 0.02 0.00 0.00 175.30 176.19 1s28 s ILE 44 N -0.75 2.58 0.27 1.52 -1.09 -0.23 -0.02 121.20 123.48 1s28 s ILE 44 Ca 0.12 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 57.77 1s28 s ILE 44 Cb -0.10 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1s28 s ILE 44 CO 0.01 0.42 0.09 -0.31 -1.23 0.00 0.00 174.94 173.93 1s28 s TYR 45 N 1.34 2.85 -0.14 3.97 1.51 -0.45 -1.57 117.35 124.87 1s28 s TYR 45 Ca 0.04 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1s28 s TYR 45 Cb -0.14 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1s28 s TYR 45 CO -0.08 0.55 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.75 1s28 s GLN 46 N -3.76 0.92 1.12 -0.62 0.74 -0.86 -0.50 119.66 116.69 1s28 s GLN 46 Ca 0.33 -0.25 -0.14 0.00 0.05 0.00 0.00 55.36 55.35 1s28 s GLN 46 Cb -0.07 -1.65 0.20 0.00 1.10 0.00 0.00 33.01 32.60 1s28 s GLN 46 CO 0.22 -0.44 0.68 -3.47 -0.55 0.00 0.00 175.29 171.73 1s28 n ASP 47 N 5.03 -1.74 0.08 6.67 2.03 0.15 -1.93 116.55 126.85 1s28 n ASP 47 Ca -0.09 -0.05 0.12 0.00 0.52 0.00 0.00 54.79 55.29 1s28 n ASP 47 Cb 0.49 -1.19 0.23 0.00 -0.72 0.00 0.00 41.12 39.92 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 -2.34 0.00 -0.61 -0.67 3.64 -1.38 -3.25 116.57 111.96 1s28 h LYS 48 Ca -0.56 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 1s28 h LYS 48 Cb 1.33 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 1s28 h LYS 48 CO 0.44 0.00 0.17 1.19 -2.27 0.00 0.00 179.45 178.98 1s28 n PHE 49 N -2.24 2.04 -2.93 1.91 3.01 -1.26 -4.95 117.46 113.03 1s28 n PHE 49 Ca 0.04 -1.15 -0.11 0.00 1.01 0.00 0.00 57.45 57.24 1s28 n PHE 49 Cb 0.45 -0.59 0.05 0.00 -0.01 0.00 0.00 39.48 39.38 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 -0.25 -4.14 -5.25 -1.08 4.76 -1.23 -4.95 118.16 106.02 1s28 n LYS 50 Ca 0.36 0.50 -0.31 0.00 -2.87 0.00 0.00 58.31 55.99 1s28 n LYS 50 Cb 1.26 -4.49 -0.16 0.00 -1.84 0.00 0.00 35.03 29.80 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 2.31 -0.02 2.13 0.52 -1.26 -1.56 118.94 117.85 1s28 s TRP 51 Ca 0.10 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1s28 s TRP 51 Cb -0.04 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1s28 s TRP 51 CO 0.43 -0.11 0.15 0.54 0.02 0.00 0.00 176.95 177.97 1s28 s VAL 52 N -0.40 5.22 0.09 4.03 0.11 -0.67 0.32 120.40 129.09 1s28 s VAL 52 Ca 0.04 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1s28 s VAL 52 Cb -0.11 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 1s28 s VAL 52 CO 0.01 0.37 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.67 1s28 s TYR 53 N -1.25 1.50 -0.18 1.54 1.51 0.34 -1.83 117.35 118.98 1s28 s TYR 53 Ca 0.24 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1s28 s TYR 53 Cb -0.12 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1s28 s TYR 53 CO 0.15 0.14 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.61 1s28 s PHE 54 N -1.32 1.83 -0.14 2.71 0.40 -0.67 -1.34 117.98 119.45 1s28 s PHE 54 Ca 0.03 -1.20 -0.00 0.00 -0.60 0.00 0.00 56.93 55.16 1s28 s PHE 54 Cb -0.09 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1s28 s PHE 54 CO 0.03 -0.65 -0.14 -1.17 0.70 0.00 0.00 175.22 174.00 1s28 s LEU 55 N 1.59 2.59 -0.04 -0.37 2.96 0.97 -1.86 118.68 124.52 1s28 s LEU 55 Ca -0.00 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1s28 s LEU 55 Cb -0.16 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1s28 s LEU 55 CO -0.08 0.12 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.27 1s28 s SER 56 N 0.62 3.00 -0.36 3.68 0.15 -0.44 0.79 113.70 121.14 1s28 s SER 56 Ca -0.08 -0.48 -0.09 0.00 0.70 0.00 0.00 55.95 56.01 1s28 s SER 56 Cb -0.16 -0.57 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 1s28 s SER 56 CO 0.03 0.28 0.15 -1.81 1.20 0.00 0.00 173.24 173.09 1s28 s ASP 57 N -0.38 5.51 0.41 5.45 1.01 -0.54 -1.24 116.67 126.90 1s28 s ASP 57 Ca 0.03 -1.07 0.21 0.00 0.71 0.00 0.00 52.55 52.44 1s28 s ASP 57 Cb -0.12 -1.94 0.84 0.00 1.01 0.00 0.00 42.92 42.71 1s28 s ASP 57 CO 0.01 -0.35 1.81 0.40 0.21 0.00 0.00 175.17 177.24 1s28 h ILE 58 N 6.03 0.76 0.00 0.77 2.04 -1.76 -3.47 117.51 121.88 1s28 h ILE 58 Ca -0.24 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1s28 h ILE 58 Cb 1.09 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1s28 h ILE 58 CO 0.63 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.68 1s28 n GLY 59 N 0.07 -0.22 3.72 5.37 0.00 -1.23 -4.86 105.19 108.05 1s28 n GLY 59 Ca -0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 3.41 -0.50 1.61 1.01 -1.26 -0.46 120.40 124.20 1s28 s VAL 60 Ca 0.00 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.86 1s28 s VAL 60 Cb 0.00 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1s28 s VAL 60 CO 0.00 0.12 0.61 -0.51 0.00 0.00 0.00 175.10 175.32 1s28 s ILE 61 N 0.64 4.90 -0.14 2.22 1.10 -1.25 -4.83 121.20 123.85 1s28 s ILE 61 Ca 0.60 -0.54 -0.20 0.00 -0.51 0.00 0.00 60.65 60.00 1s28 s ILE 61 Cb -0.35 -4.29 -0.25 0.00 0.15 0.00 0.00 42.46 37.72 1s28 s ILE 61 CO 0.33 -0.79 0.52 -0.78 -2.11 0.00 0.00 174.94 172.11 1s28 h ASP 62 N 8.98 0.20 -3.43 4.50 1.82 -1.92 -3.46 116.42 123.11 1s28 h ASP 62 Ca -0.28 -0.79 -0.61 0.00 -0.39 0.00 0.00 57.03 54.97 1s28 h ASP 62 Cb 1.10 -0.07 -0.33 0.00 0.68 0.00 0.00 39.33 40.71 1s28 h ASP 62 CO 0.96 1.45 -0.85 0.21 -1.61 0.00 0.00 179.24 179.40 1s28 s ASN 63 N -6.81 2.51 -0.03 2.28 2.47 -1.26 -5.12 114.94 108.97 1s28 s ASN 63 Ca -0.22 -0.44 -0.06 0.00 0.42 0.00 0.00 52.86 52.56 1s28 s ASN 63 Cb 0.03 -1.11 0.01 0.00 -1.45 0.00 0.00 41.25 38.73 1s28 s ASN 63 CO 0.70 0.11 0.14 -0.22 -3.72 0.00 0.00 177.10 174.12 1s28 s LEU 64 N 0.43 1.51 0.00 3.21 2.96 -1.26 -5.01 118.68 120.52 1s28 s LEU 64 Ca -0.16 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1s28 s LEU 64 Cb -0.17 0.58 0.00 0.00 0.50 0.00 0.00 46.19 47.11 1s28 s LEU 64 CO 0.06 -0.21 0.00 0.47 -1.32 0.00 0.00 176.35 175.35 1s28 n ASP 65 N 2.21 0.00 0.00 3.68 8.00 -1.26 -5.01 116.55 124.17 1s28 n ASP 65 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1s28 n ASP 65 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.00 0.00 -0.00 -2.24 3.41 -1.26 -4.50 113.62 109.02 1s28 n SER 66 Ca 0.00 -0.58 0.06 0.00 -0.26 0.00 0.00 58.87 58.08 1s28 n SER 66 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1s28 n SER 66 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s28 n ASN 67 N 0.00 0.65 -0.09 4.04 5.03 -1.26 -3.75 115.26 119.89 1s28 n ASN 67 Ca 0.00 -0.73 -0.11 0.00 0.87 0.00 0.00 54.58 54.61 1s28 n ASN 67 Cb 0.15 1.03 -0.04 0.00 -1.02 0.00 0.00 39.78 39.90 1s28 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s28 n ALA 68 N -1.32 1.03 -0.26 5.41 0.00 -1.26 -3.79 120.51 120.32 1s28 n ALA 68 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 53.44 52.66 1s28 n ALA 68 Cb 0.19 0.05 0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.01 -0.73 -0.68 0.00 4.20 -1.79 0.21 115.11 116.30 1s28 h GLN 70 Ca 0.35 0.05 0.20 0.00 0.06 0.00 0.00 58.65 59.31 1s28 h GLN 70 Cb 0.55 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1s28 h GLN 70 CO -0.76 -0.49 0.60 0.77 -0.67 0.00 0.00 178.83 178.28 1s28 h SER 71 N -0.76 0.00 0.07 1.46 0.02 -1.17 0.62 113.55 113.79 1s28 h SER 71 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1s28 h SER 71 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1s28 h SER 71 CO 0.02 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 175.93 1s28 h LEU 72 N 0.00 -0.08 0.00 5.07 5.85 0.28 -3.21 115.31 123.22 1s28 h LEU 72 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1s28 h LEU 72 Cb 1.51 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.56 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 -3.51 0.00 0.00 2.25 0.00 0.64 0.72 117.00 117.10 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 0.04 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.56 1s28 n LEU 73 CO 0.03 0.00 0.24 -1.14 0.00 0.00 0.00 177.39 176.52 1s28 n ARG 74 N -0.91 0.03 0.02 1.96 3.00 0.21 -3.65 116.66 117.32 1s28 n ARG 74 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.99 1s28 n ARG 74 Cb 0.00 -1.51 0.53 0.00 0.00 0.00 0.00 32.46 31.48 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 -1.54 0.18 -0.85 6.15 4.77 0.22 -2.94 117.00 122.99 1s28 n LEU 75 Ca 0.05 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 1s28 n LEU 75 Cb 0.34 -0.47 0.18 0.00 -2.33 0.00 0.00 43.42 41.14 1s28 n LEU 75 CO 0.38 -0.10 0.63 0.59 -1.33 0.00 0.00 177.39 177.56 1s28 n ASN 76 N -1.67 2.44 -4.66 -1.43 3.02 -1.24 -4.89 115.26 106.82 1s28 n ASN 76 Ca 0.06 -2.13 -0.40 0.00 -0.03 0.00 0.00 54.58 52.08 1s28 n ASN 76 Cb 0.33 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.55 1.53 -2.19 3.52 0.28 -1.15 -4.91 120.64 118.27 1s28 n GLU 77 Ca 0.13 0.55 -0.35 0.00 -0.16 0.00 0.00 57.16 57.34 1s28 n GLU 77 Cb 0.44 -2.26 0.01 0.00 1.43 0.00 0.00 31.44 31.06 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 -1.29 2.64 -0.16 -1.84 5.36 -1.26 -5.04 117.98 116.39 1s28 s PHE 78 Ca 0.65 1.54 -0.33 0.00 -0.96 0.00 0.00 56.93 57.83 1s28 s PHE 78 Cb -0.50 -3.29 0.13 0.00 -0.34 0.00 0.00 43.02 39.03 1s28 s PHE 78 CO 0.55 -1.63 1.15 0.54 -1.46 0.00 0.00 175.22 174.36 1s28 s ASN 79 N -1.85 -0.18 -0.44 6.13 2.20 -1.26 -5.06 114.94 114.48 1s28 s ASN 79 Ca 0.72 0.02 -0.03 0.00 -0.94 0.00 0.00 52.86 52.64 1s28 s ASN 79 Cb -0.24 0.19 0.16 0.00 -2.00 0.00 0.00 41.25 39.36 1s28 s ASN 79 CO 0.29 -0.30 2.42 0.18 -2.94 0.00 0.00 177.10 176.75 1s28 n LEU 80 N -0.04 6.60 -4.83 3.54 4.77 -1.26 -4.96 117.00 120.82 1s28 n LEU 80 Ca -0.02 -3.83 -0.37 0.00 -0.03 0.00 0.00 56.01 51.76 1s28 n LEU 80 Cb 0.59 -1.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1s28 n LEU 80 CO 0.10 1.53 0.18 -0.13 -1.33 0.00 0.00 177.39 177.74 1s28 s ARG 81 N -2.00 4.00 1.09 3.23 1.81 -1.26 -5.07 118.95 120.75 1s28 s ARG 81 Ca 0.49 0.50 -0.12 0.00 -1.72 0.00 0.00 55.73 54.88 1s28 s ARG 81 Cb 0.34 -3.14 0.24 0.00 -0.45 0.00 0.00 34.95 31.95 1s28 s ARG 81 CO -0.14 0.62 1.06 0.95 -0.68 0.00 0.00 175.30 177.11 1s28 s THR 82 N -1.20 2.05 -0.04 0.02 -4.23 -1.26 -4.03 115.64 106.95 1s28 s THR 82 Ca 0.29 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1s28 s THR 82 Cb -0.17 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1s28 s THR 82 CO 0.17 -0.02 0.06 -2.65 -0.54 0.00 0.00 174.62 171.64 1s28 n PRO 83 N -4.71 -0.21 -2.89 3.99 -0.02 -1.26 -4.82 135.00 125.08 1s28 n PRO 83 Ca 0.06 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1s28 n PRO 83 Cb 0.54 -0.29 -0.04 0.00 -0.02 0.00 0.00 33.50 33.69 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 -0.24 3.67 -0.38 6.00 5.36 -1.26 -5.03 117.98 126.11 1s28 s PHE 84 Ca 0.04 1.51 -0.16 0.00 -0.96 0.00 0.00 56.93 57.36 1s28 s PHE 84 Cb -0.00 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1s28 s PHE 84 CO 0.08 0.12 0.39 -0.06 -1.46 0.00 0.00 175.22 174.30 1s28 s PHE 85 N 0.55 3.19 0.01 10.12 0.40 -1.26 -4.56 117.98 126.42 1s28 s PHE 85 Ca 0.43 -0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 56.30 1s28 s PHE 85 Cb -0.20 -2.77 -0.05 0.00 0.51 0.00 0.00 43.02 40.51 1s28 s PHE 85 CO 0.24 -0.56 0.78 0.99 0.70 0.00 0.00 175.22 177.36 1s28 s THR 86 N 2.06 4.84 -0.20 0.64 2.01 -0.39 -4.88 115.64 119.72 1s28 s THR 86 Ca 0.12 1.63 -0.06 0.00 0.31 0.00 0.00 61.69 63.69 1s28 s THR 86 Cb -0.17 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 1s28 s THR 86 CO 0.12 0.30 0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 1s28 s VAL 87 N 0.35 4.15 0.01 3.82 1.01 -1.26 -1.90 120.40 126.56 1s28 s VAL 87 Ca 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1s28 s VAL 87 Cb -0.20 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1s28 s VAL 87 CO 0.22 0.42 0.01 0.61 0.00 0.00 0.00 175.10 176.37 1s28 n GLY 88 N 4.17 3.59 3.19 4.51 0.00 -0.21 -4.89 105.19 115.55 1s28 n GLY 88 Ca -0.17 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1s28 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s28 s LEU 89 N 0.00 2.03 1.08 0.99 1.02 -1.26 -2.48 118.68 120.06 1s28 s LEU 89 Ca 0.01 -0.53 -0.15 0.00 0.02 0.00 0.00 54.13 53.48 1s28 s LEU 89 Cb 0.00 -1.34 0.21 0.00 0.02 0.00 0.00 46.19 45.08 1s28 s LEU 89 CO 0.01 0.14 0.44 -3.20 0.02 0.00 0.00 176.35 173.75 1s28 n ASN 90 N 3.61 -3.19 -0.25 2.29 5.15 0.11 -4.79 115.26 118.19 1s28 n ASN 90 Ca -0.20 -0.47 0.01 0.00 -0.60 0.00 0.00 54.58 53.32 1s28 n ASN 90 Cb 0.53 -0.81 0.02 0.00 -0.53 0.00 0.00 39.78 38.99 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 -2.49 1.15 -2.71 1.20 1.02 -1.26 -3.20 120.64 114.35 1s28 n GLU 91 Ca 0.07 -0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 1s28 n GLU 91 Cb 0.39 -1.21 0.09 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.23 1.32 -4.13 3.49 5.02 -1.26 -5.00 118.16 117.37 1s28 n LYS 92 Ca 0.02 -2.24 -0.32 0.00 -2.02 0.00 0.00 58.31 53.74 1s28 n LYS 92 Cb 0.13 -0.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.75 -3.23 -4.86 1.97 4.01 -1.19 -4.95 118.16 109.16 1s28 n LYS 93 Ca -0.03 0.38 -0.33 0.00 -0.51 0.00 0.00 58.31 57.82 1s28 n LYS 93 Cb 0.84 -4.87 -0.13 0.00 -0.51 0.00 0.00 35.03 30.36 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 -3.68 4.06 0.22 4.39 1.01 -1.26 -3.83 116.67 117.57 1s28 s ASP 94 Ca 0.47 -0.21 -0.31 0.00 0.71 0.00 0.00 52.55 53.21 1s28 s ASP 94 Cb -0.26 -0.97 -0.15 0.00 1.01 0.00 0.00 42.92 42.55 1s28 s ASP 94 CO 0.91 0.32 1.19 0.61 0.21 0.00 0.00 175.17 178.41 1s28 n GLY 95 N 2.48 0.16 3.30 0.21 0.00 0.39 0.09 105.19 111.82 1s28 n GLY 95 Ca -0.17 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.37 -0.02 -0.09 1.61 0.11 -1.04 -2.08 120.40 118.53 1s28 s VAL 96 Ca 0.68 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.77 1s28 s VAL 96 Cb -0.76 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 33.51 1s28 s VAL 96 CO 0.53 0.02 0.06 -0.69 -3.33 0.00 0.00 175.10 171.70 1s28 s VAL 97 N 1.01 0.00 0.32 2.04 1.01 -0.37 -1.04 120.40 123.37 1s28 s VAL 97 Ca -0.06 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1s28 s VAL 97 Cb -0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1s28 s VAL 97 CO -0.08 0.05 0.16 -1.38 0.00 0.00 0.00 175.10 173.84 1s28 s HIS 98 N 2.11 1.64 0.23 5.22 -3.43 -0.80 -1.32 115.29 118.94 1s28 s HIS 98 Ca 0.04 -1.37 -0.17 0.00 -0.80 0.00 0.00 55.06 52.75 1s28 s HIS 98 Cb -0.13 -0.89 0.02 0.00 -1.43 0.00 0.00 32.58 30.14 1s28 s HIS 98 CO -0.05 -0.51 0.56 0.99 -2.00 0.00 0.00 174.74 173.72 1s28 s THR 99 N -3.54 0.01 -0.00 -5.38 2.01 -0.78 -1.26 115.64 106.71 1s28 s THR 99 Ca 0.35 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1s28 s THR 99 Cb 0.05 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.74 1s28 s THR 99 CO 0.18 -0.06 0.18 0.00 -0.69 0.00 0.00 174.62 174.22 1s28 s ARG 100 N -3.92 0.52 -0.23 4.92 1.70 -1.26 -1.66 118.95 119.02 1s28 s ARG 100 Ca 0.13 -0.34 -0.15 0.00 -0.47 0.00 0.00 55.73 54.89 1s28 s ARG 100 Cb -0.02 0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.65 1s28 s ARG 100 CO 0.02 -0.13 0.57 0.42 -1.08 0.00 0.00 175.30 175.10 1s28 s ILE 101 N -1.34 -0.01 0.62 4.99 1.01 -0.76 -4.89 121.20 120.82 1s28 s ILE 101 Ca -0.14 0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1s28 s ILE 101 Cb -0.07 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1s28 s ILE 101 CO 0.02 0.01 1.18 -2.16 0.00 0.00 0.00 174.94 174.00 1s28 s PRO 102 N 1.10 2.82 0.18 2.79 0.04 -1.26 -1.67 135.00 138.99 1s28 s PRO 102 Ca -0.06 1.72 0.16 0.00 0.04 0.00 0.00 61.00 62.86 1s28 s PRO 102 Cb -0.06 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1s28 s PRO 102 CO -0.10 -1.30 1.15 1.25 0.04 0.00 0.00 177.00 178.04 1s28 h LEU 103 N 0.55 0.00 -9.19 -3.56 5.85 -1.65 -3.44 115.31 103.88 1s28 h LEU 103 Ca -0.49 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.63 1s28 h LEU 103 Cb 1.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.33 1s28 h LEU 103 CO 0.54 0.50 1.20 -0.11 -0.34 0.00 0.00 178.44 180.24 1s28 n LEU 104 N -3.05 3.46 -2.62 2.25 7.94 -1.26 -1.77 117.00 121.96 1s28 n LEU 104 Ca -0.03 0.82 -0.19 0.00 -1.11 0.00 0.00 56.01 55.50 1s28 n LEU 104 Cb 0.77 -1.41 0.04 0.00 0.53 0.00 0.00 43.42 43.34 1s28 n LEU 104 CO 0.42 -0.13 0.03 -3.20 -1.11 0.00 0.00 177.39 173.39 1s28 n ASN 105 N 7.70 -5.42 -3.95 1.96 4.05 -1.26 -5.01 115.26 113.32 1s28 n ASN 105 Ca 0.25 -0.27 -0.29 0.00 0.45 0.00 0.00 54.58 54.71 1s28 n ASN 105 Cb 0.33 -4.23 -0.16 0.00 1.23 0.00 0.00 39.78 36.95 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 -5.72 1.89 0.74 1.20 2.96 -0.73 -5.13 118.68 113.89 1s28 s LEU 106 Ca 0.29 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 1s28 s LEU 106 Cb -0.13 -1.08 0.03 0.00 0.50 0.00 0.00 46.19 45.52 1s28 s LEU 106 CO 0.35 -0.15 1.09 -0.62 -1.32 0.00 0.00 176.35 175.70 1s28 s ASP 107 N 1.52 5.10 0.41 3.68 2.15 -1.26 -4.89 116.67 123.37 1s28 s ASP 107 Ca 0.01 1.28 0.15 0.00 0.43 0.00 0.00 52.55 54.41 1s28 s ASP 107 Cb -0.15 -2.08 0.87 0.00 -0.30 0.00 0.00 42.92 41.26 1s28 s ASP 107 CO -0.08 -1.58 1.89 -0.55 -0.17 0.00 0.00 175.17 174.68 1s28 h ASN 108 N -0.82 0.00 -0.48 -0.34 -1.07 -1.96 -2.91 115.58 108.00 1s28 h ASN 108 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1s28 h ASN 108 Cb 1.25 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.48 1s28 h ASN 108 CO 0.61 0.29 0.32 0.58 0.07 0.00 0.00 177.43 179.30 1s28 h VAL 109 N 0.00 1.13 0.00 6.14 2.07 -1.93 0.76 116.25 124.41 1s28 h VAL 109 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1s28 h VAL 109 Cb 0.54 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1s28 h VAL 109 CO 0.04 0.12 0.00 1.21 0.02 0.00 0.00 177.57 178.96 1s28 n GLU 110 N -4.74 0.46 0.00 1.57 2.13 -1.10 -2.17 120.64 116.79 1s28 n GLU 110 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1s28 n GLU 110 Cb 0.02 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.47 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 1.25 0.00 -0.12 5.31 5.12 0.26 -0.81 116.66 127.67 1s28 n ARG 112 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1s28 n ARG 112 Cb 0.23 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.54 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 -0.10 -0.54 5.56 3.08 -1.70 0.40 114.38 121.08 1s28 h ARG 113 Ca 0.00 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1s28 h ARG 113 Cb 0.00 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1s28 h ARG 113 CO 0.00 -0.07 -0.05 0.28 -1.07 0.00 0.00 179.97 179.06 1s28 h VAL 114 N -0.11 0.52 0.45 2.04 2.07 -1.26 0.90 116.25 120.85 1s28 h VAL 114 Ca 0.20 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1s28 h VAL 114 Cb 0.42 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1s28 h VAL 114 CO -0.48 0.01 -0.35 0.15 0.02 0.00 0.00 177.57 176.92 1s28 h PHE 115 N 0.07 -0.94 -0.52 1.57 3.57 -0.92 0.14 116.94 119.90 1s28 h PHE 115 Ca 0.27 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.87 1s28 h PHE 115 Cb 0.42 0.35 -0.10 0.00 2.79 0.00 0.00 35.95 39.41 1s28 h PHE 115 CO -0.38 -0.49 -0.18 0.93 -2.23 0.00 0.00 178.31 175.96 1s28 h GLU 116 N -0.76 -0.06 -0.71 1.11 4.39 0.25 0.28 114.58 119.08 1s28 h GLU 116 Ca -0.06 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.78 1s28 h GLU 116 Cb 0.64 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 1s28 h GLU 116 CO 0.01 -0.04 0.24 0.00 -1.16 0.00 0.00 179.01 178.07 1s28 h ALA 117 N 1.38 0.95 -0.91 3.43 0.00 0.11 0.85 119.26 125.07 1s28 h ALA 117 Ca 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1s28 h ALA 117 Cb 0.44 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1s28 h ALA 117 CO -0.56 -0.24 0.54 1.25 0.00 0.00 0.00 179.25 180.23 1s28 h LEU 118 N 0.38 1.10 0.50 0.00 5.85 0.24 -1.29 115.31 122.08 1s28 h LEU 118 Ca 0.38 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1s28 h LEU 118 Cb 0.58 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1s28 h LEU 118 CO -0.41 0.85 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.16 1s28 h LEU 119 N 1.26 -0.78 -0.73 2.25 3.38 0.11 -1.31 115.31 119.48 1s28 h LEU 119 Ca 0.33 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.50 1s28 h LEU 119 Cb -0.04 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 1s28 h LEU 119 CO -0.06 -0.47 -0.03 0.78 0.09 0.00 0.00 178.44 178.75 1s28 h ASN 120 N -0.75 -0.39 -0.71 -0.43 2.35 -1.20 0.15 115.58 114.60 1s28 h ASN 120 Ca -0.07 0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1s28 h ASN 120 Cb 0.60 0.35 -0.05 0.00 0.05 0.00 0.00 38.32 39.28 1s28 h ASN 120 CO 0.07 -0.18 0.44 0.25 -1.65 0.00 0.00 177.43 176.35 1s28 h LEU 121 N 0.09 0.70 -1.37 1.61 5.85 -1.10 0.53 115.31 121.62 1s28 h LEU 121 Ca 0.39 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 1s28 h LEU 121 Cb 0.67 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1s28 h LEU 121 CO -0.66 0.48 0.36 0.28 -0.34 0.00 0.00 178.44 178.56 1s28 h SER 122 N 0.84 0.69 0.25 1.25 0.02 0.43 -0.44 113.55 116.59 1s28 h SER 122 Ca 0.29 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1s28 h SER 122 Cb 0.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1s28 h SER 122 CO -0.13 0.53 -0.12 1.23 -1.14 0.00 0.00 176.83 177.20 1s28 h GLY 123 N 0.83 -0.36 -0.41 -3.77 0.00 0.69 0.98 103.07 101.03 1s28 h GLY 123 Ca 0.21 0.14 0.25 0.00 0.00 0.00 0.00 47.33 47.93 1s28 h GLY 123 CO -0.04 -0.13 0.35 0.83 0.00 0.00 0.00 176.54 177.55 1s28 h GLU 124 N -0.33 0.27 -0.16 4.80 5.08 -0.89 0.18 114.58 123.53 1s28 h GLU 124 Ca -0.03 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1s28 h GLU 124 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s28 h GLU 124 CO 0.05 0.18 -0.48 0.28 -1.00 0.00 0.00 179.01 178.04 1s28 h VAL 125 N 0.28 1.32 -0.33 3.13 2.07 -0.99 -3.21 116.25 118.52 1s28 h VAL 125 Ca 0.60 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1s28 h VAL 125 Cb 1.23 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1s28 h VAL 125 CO -0.62 0.52 0.01 0.50 0.02 0.00 0.00 177.57 178.01 1s28 h LYS 126 N 0.34 0.58 -1.85 1.57 3.64 0.20 -2.85 116.57 118.19 1s28 h LYS 126 Ca 0.02 -0.18 -0.27 0.00 -1.27 0.00 0.00 60.65 58.95 1s28 h LYS 126 Cb 0.98 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.64 1s28 h LYS 126 CO 0.09 0.70 0.14 1.63 -2.27 0.00 0.00 179.45 179.73 1s28 n LYS 127 N -4.54 1.82 0.00 1.90 5.02 -0.66 -0.89 118.16 120.82 1s28 n LYS 127 Ca -0.02 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 1s28 n LYS 127 Cb 0.26 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.22 0.00 0.41 -0.18 -1.04 -1.21 -4.89 114.28 108.59 1s28 n THR 128 Ca 0.31 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.37 1s28 n THR 128 Cb 0.63 -0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 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 -1.69 0.00 -0.70 -1.42 3.01 -1.08 -5.14 117.46 110.45 1s28 n PHE 129 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s28 n PHE 129 Cb 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1s28 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18