#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwd s ASP 6 N 0.00 1.18 -0.05 4.04 1.11 -1.26 -5.16 116.67 116.53 3hwd s ASP 6 Ca 0.00 -0.45 -0.11 0.00 0.18 0.00 0.00 52.55 52.17 3hwd s ASP 6 Cb 0.00 -0.04 0.02 0.00 1.07 0.00 0.00 42.92 43.97 3hwd s ASP 6 CO 0.00 -0.07 0.26 -0.76 1.18 0.00 0.00 175.17 175.79 3hwd s LEU 7 N -1.21 1.03 0.27 1.23 1.43 -1.26 -5.09 118.68 115.09 3hwd s LEU 7 Ca -0.03 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 3hwd s LEU 7 Cb -0.08 1.00 -0.10 0.00 0.03 0.00 0.00 46.19 47.05 3hwd s LEU 7 CO 0.01 -0.27 1.31 -0.63 0.23 0.00 0.00 176.35 177.00 3hwd s ILE 8 N -0.65 2.92 0.34 -0.59 1.01 -1.26 -4.94 121.20 118.03 3hwd s ILE 8 Ca -0.07 0.85 -0.28 0.00 0.00 0.00 0.00 60.65 61.14 3hwd s ILE 8 Cb -0.04 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3hwd s ILE 8 CO 0.02 0.17 1.27 -2.84 0.00 0.00 0.00 174.94 173.56 3hwd s PRO 9 N -1.04 4.32 0.33 2.79 0.03 -1.26 -4.92 135.00 135.24 3hwd s PRO 9 Ca 0.52 2.14 -0.28 0.00 0.03 0.00 0.00 61.00 63.41 3hwd s PRO 9 Cb -0.38 -3.02 -0.10 0.00 0.03 0.00 0.00 34.50 31.03 3hwd s PRO 9 CO 0.46 -0.19 1.22 0.00 0.03 0.00 0.00 177.00 178.52 3hwd s ALA 10 N -1.18 3.42 0.56 -1.55 0.00 -1.26 -4.94 121.76 116.81 3hwd s ALA 10 Ca 0.50 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 3hwd s ALA 10 Cb -0.38 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 3hwd s ALA 10 CO 0.50 -0.48 1.03 -1.25 0.00 0.00 0.00 175.76 175.56 3hwd s PRO 11 N -1.75 3.60 0.60 0.00 0.04 -1.26 -5.02 135.00 131.20 3hwd s PRO 11 Ca 0.49 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 3hwd s PRO 11 Cb -0.36 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3hwd s PRO 11 CO 0.47 -0.57 1.30 -2.14 0.04 0.00 0.00 177.00 176.10 3hwd s PRO 12 N -4.06 2.84 0.55 0.56 0.02 -1.26 -4.91 135.00 128.73 3hwd s PRO 12 Ca 0.62 2.07 0.28 0.00 0.02 0.00 0.00 61.00 63.99 3hwd s PRO 12 Cb -0.13 -2.01 1.58 0.00 0.02 0.00 0.00 34.50 33.96 3hwd s PRO 12 CO 0.34 -1.38 2.14 1.37 -0.33 0.00 0.00 177.00 179.15 3hwd h LEU 13 N 0.93 0.00 -1.26 -5.54 -0.00 -1.95 -1.05 115.31 106.44 3hwd h LEU 13 Ca -0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.29 3hwd h LEU 13 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 3hwd h LEU 13 CO 0.55 0.08 -0.37 0.77 -0.00 0.00 0.00 178.44 179.47 3hwd h SER 14 N 0.00 0.00 1.16 0.17 4.64 -2.01 -2.65 113.55 114.86 3hwd h SER 14 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hwd h SER 14 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hwd h SER 14 CO 0.01 0.37 -0.05 0.11 -0.87 0.00 0.00 176.83 176.40 3hwd h LYS 15 N 0.00 0.00 -4.82 4.77 1.57 -1.55 -3.41 116.57 113.13 3hwd h LYS 15 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 3hwd h LYS 15 Cb 0.66 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.78 3hwd h LYS 15 CO 0.05 0.05 -0.24 0.08 -0.57 0.00 0.00 179.45 178.82 3hwd s VAL 16 N -3.58 5.11 0.96 0.50 1.01 -1.00 -5.03 120.40 118.36 3hwd s VAL 16 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3hwd s VAL 16 Cb 0.09 -4.02 0.17 0.00 0.00 0.00 0.00 36.38 32.61 3hwd s VAL 16 CO 0.58 -0.39 1.09 -2.84 0.00 0.00 0.00 175.10 173.54 3hwd s PRO 17 N 2.07 0.74 0.06 2.72 0.02 -1.26 -4.95 135.00 134.40 3hwd s PRO 17 Ca 0.11 1.11 0.09 0.00 0.02 0.00 0.00 61.00 62.33 3hwd s PRO 17 Cb -0.17 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3hwd s PRO 17 CO 0.13 -2.68 -0.24 -1.17 -0.33 0.00 0.00 177.00 172.71 3hwd s LEU 18 N -6.57 2.19 -0.01 -5.54 2.96 -1.26 -4.15 118.68 106.31 3hwd s LEU 18 Ca 0.66 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 3hwd s LEU 18 Cb -0.21 -1.14 -0.06 0.00 0.50 0.00 0.00 46.19 45.28 3hwd s LEU 18 CO 0.59 0.20 1.48 -1.58 -1.32 0.00 0.00 176.35 175.72 3hwd s GLN 19 N -1.36 4.25 0.08 1.98 2.00 -0.90 -4.91 119.66 120.79 3hwd s GLN 19 Ca 0.10 2.05 -0.31 0.00 -2.00 0.00 0.00 55.36 55.20 3hwd s GLN 19 Cb -0.10 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 29.99 3hwd s GLN 19 CO 0.03 -0.65 1.42 -0.65 -0.50 0.00 0.00 175.29 174.93 3hwd s GLN 20 N 2.76 4.30 -0.97 1.67 -0.21 -1.26 -3.85 119.66 122.09 3hwd s GLN 20 Ca 0.66 2.07 -0.07 0.00 0.02 0.00 0.00 55.36 58.05 3hwd s GLN 20 Cb -0.33 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 3hwd s GLN 20 CO 0.27 -0.51 0.82 -1.71 -2.12 0.00 0.00 175.29 172.05 3hwd n ASN 21 N 4.53 -6.66 -4.61 5.90 5.15 -1.26 -4.86 115.26 113.44 3hwd n ASN 21 Ca 0.12 -0.60 -0.43 0.00 -0.60 0.00 0.00 54.58 53.08 3hwd n ASN 21 Cb 0.42 -4.75 -0.03 0.00 -0.53 0.00 0.00 39.78 34.90 3hwd n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3hwd s PHE 22 N -3.28 1.98 -0.60 1.20 2.19 -1.25 -4.96 117.98 113.27 3hwd s PHE 22 Ca 0.31 0.59 -0.22 0.00 0.33 0.00 0.00 56.93 57.94 3hwd s PHE 22 Cb -0.06 -4.10 0.06 0.00 -1.31 0.00 0.00 43.02 37.61 3hwd s PHE 22 CO 0.77 -2.85 0.89 1.14 1.83 0.00 0.00 175.22 176.99 3hwd s GLN 23 N 5.20 3.17 0.17 10.12 1.03 -1.26 -4.84 119.66 133.26 3hwd s GLN 23 Ca 0.75 -0.71 -0.09 0.00 0.04 0.00 0.00 55.36 55.35 3hwd s GLN 23 Cb -0.22 -4.16 0.05 0.00 0.03 0.00 0.00 33.01 28.71 3hwd s GLN 23 CO 0.32 -1.61 1.59 0.38 -2.54 0.00 0.00 175.29 173.43 3hwd h ASP 24 N 9.37 1.01 -0.32 12.60 2.03 -1.99 -2.52 116.42 136.61 3hwd h ASP 24 Ca -0.28 -0.35 -0.02 0.00 -0.73 0.00 0.00 57.03 55.65 3hwd h ASP 24 Cb 1.08 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 39.28 3hwd h ASP 24 CO 1.11 1.14 0.16 -0.55 -1.03 0.00 0.00 179.24 180.07 3hwd h ASN 25 N 0.87 0.45 -0.34 4.15 -1.07 -1.98 -2.04 115.58 115.63 3hwd h ASN 25 Ca 0.13 -0.04 -0.16 0.00 0.07 0.00 0.00 56.30 56.29 3hwd h ASN 25 Cb 0.73 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 36.86 3hwd h ASN 25 CO 0.06 0.41 -0.42 1.56 0.07 0.00 0.00 177.43 179.10 3hwd h GLN 26 N 0.51 0.89 0.00 4.14 1.08 -1.95 -3.25 115.11 116.53 3hwd h GLN 26 Ca 0.13 -0.50 -0.01 0.00 -1.45 0.00 0.00 58.65 56.81 3hwd h GLN 26 Cb 0.09 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3hwd h GLN 26 CO -0.02 1.15 -0.06 0.35 -0.95 0.00 0.00 178.83 179.31 3hwd h PHE 27 N 0.69 0.00 -3.72 2.96 3.04 -0.94 -3.46 116.94 115.52 3hwd h PHE 27 Ca 0.04 0.00 -0.56 0.00 3.98 0.00 0.00 57.97 61.43 3hwd h PHE 27 Cb 1.02 0.00 0.15 0.00 2.56 0.00 0.00 35.95 39.68 3hwd h PHE 27 CO 0.07 0.06 0.38 1.04 -2.02 0.00 0.00 178.31 177.84 3hwd n GLN 28 N -3.20 1.40 0.00 1.11 1.13 -0.92 -4.87 117.38 112.02 3hwd n GLN 28 Ca -0.00 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 3hwd n GLN 28 Cb 0.30 -2.36 0.00 0.00 0.11 0.00 0.00 30.24 28.29 3hwd n GLN 28 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hwd n GLY 29 N 0.99 0.67 3.65 1.08 0.00 0.16 -4.98 105.19 106.76 3hwd n GLY 29 Ca 0.11 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 3hwd n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hwd s LYS 30 N -0.96 3.99 0.03 1.61 0.00 -1.26 0.60 119.74 123.74 3hwd s LYS 30 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 55.97 55.71 3hwd s LYS 30 Cb 0.00 -3.24 -0.03 0.00 0.00 0.00 0.00 37.83 34.56 3hwd s LYS 30 CO 0.00 0.29 -0.17 -1.58 0.00 0.00 0.00 175.35 173.90 3hwd s TRP 31 N 0.33 2.60 -0.07 1.78 0.52 -0.72 -4.83 118.94 118.55 3hwd s TRP 31 Ca 0.04 -0.23 -0.12 0.00 0.02 0.00 0.00 56.10 55.81 3hwd s TRP 31 Cb -0.12 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 3hwd s TRP 31 CO -0.00 0.25 0.31 0.71 0.02 0.00 0.00 176.95 178.24 3hwd s TYR 32 N -0.90 3.64 -1.05 -1.98 2.02 -0.30 -1.70 117.35 117.08 3hwd s TYR 32 Ca 0.14 0.78 -0.22 0.00 -0.37 0.00 0.00 57.07 57.40 3hwd s TYR 32 Cb -0.11 -2.20 0.05 0.00 -0.40 0.00 0.00 41.96 39.30 3hwd s TYR 32 CO 0.05 0.59 1.50 0.54 -1.57 0.00 0.00 175.55 176.66 3hwd s VAL 33 N -0.75 3.93 0.10 0.71 0.11 -1.06 -1.35 120.40 122.09 3hwd s VAL 33 Ca 0.20 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.23 3hwd s VAL 33 Cb -0.15 -5.04 -0.13 0.00 -1.53 0.00 0.00 36.38 29.53 3hwd s VAL 33 CO 0.09 -1.92 1.34 -0.37 -3.33 0.00 0.00 175.10 170.91 3hwd h VAL 34 N 6.67 1.30 -3.57 2.04 -1.51 -1.56 -3.42 116.25 116.19 3hwd h VAL 34 Ca 0.23 -1.79 -0.60 0.00 -1.23 0.00 0.00 66.70 63.31 3hwd h VAL 34 Cb 0.99 1.86 -0.20 0.00 -2.13 0.00 0.00 31.29 31.81 3hwd h VAL 34 CO 1.43 0.57 -0.82 -0.83 -1.23 0.00 0.00 177.57 176.68 3hwd s GLY 35 N -3.96 1.47 -0.27 5.19 0.00 -0.75 -4.21 107.32 104.80 3hwd s GLY 35 Ca -0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 3hwd s GLY 35 CO 0.87 -1.47 0.37 -2.27 0.00 0.00 0.00 173.10 170.60 3hwd s LEU 36 N -2.33 -0.59 0.05 0.66 0.20 -0.63 -2.10 118.68 113.94 3hwd s LEU 36 Ca 0.14 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.81 3hwd s LEU 36 Cb -0.08 0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 46.61 3hwd s LEU 36 CO 0.07 -0.34 -0.16 0.00 -0.29 0.00 0.00 176.35 175.63 3hwd s ALA 37 N 2.50 1.35 0.00 5.97 0.00 0.51 -0.01 121.76 132.09 3hwd s ALA 37 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3hwd s ALA 37 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3hwd s ALA 37 CO -0.24 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3hwd n GLY 38 N 1.67 0.87 0.25 0.00 0.00 -1.20 0.92 105.19 107.70 3hwd n GLY 38 Ca -0.19 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 3hwd n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hwd h ASN 39 N 0.00 0.67 0.93 1.61 -1.07 -1.85 -2.99 115.58 112.88 3hwd h ASN 39 Ca 0.00 -0.24 -0.22 0.00 0.07 0.00 0.00 56.30 55.91 3hwd h ASN 39 Cb 0.00 -0.18 -0.03 0.00 -2.07 0.00 0.00 38.32 36.04 3hwd h ASN 39 CO 0.00 0.89 -1.07 0.00 0.07 0.00 0.00 177.43 177.33 3hwd h ALA 40 N 1.16 0.35 -2.67 4.14 0.00 -1.95 -3.44 119.26 116.84 3hwd h ALA 40 Ca 0.08 -0.94 -0.50 0.00 0.00 0.00 0.00 54.91 53.55 3hwd h ALA 40 Cb 0.72 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.45 3hwd h ALA 40 CO 0.06 1.24 0.48 0.96 0.00 0.00 0.00 179.25 181.98 3hwd s ILE 41 N -2.70 3.29 -0.03 0.00 -0.00 -1.13 -5.06 121.20 115.57 3hwd s ILE 41 Ca 0.00 1.03 -0.13 0.00 -0.00 0.00 0.00 60.65 61.55 3hwd s ILE 41 Cb 0.10 -3.55 0.02 0.00 -0.00 0.00 0.00 42.46 39.02 3hwd s ILE 41 CO 0.83 0.05 0.27 -0.22 -0.00 0.00 0.00 174.94 175.87 3hwd s LEU 42 N -2.65 0.99 -0.12 0.37 2.96 -1.26 -4.51 118.68 114.45 3hwd s LEU 42 Ca 0.59 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 3hwd s LEU 42 Cb -0.28 1.11 -0.01 0.00 0.50 0.00 0.00 46.19 47.51 3hwd s LEU 42 CO 0.35 -0.37 0.98 0.00 -1.32 0.00 0.00 176.35 175.99 3hwd s ARG 43 N -1.08 4.40 0.00 1.98 3.03 -0.55 -4.92 118.95 121.81 3hwd s ARG 43 Ca -0.11 1.34 0.00 0.00 2.03 0.00 0.00 55.73 58.98 3hwd s ARG 43 Cb -0.05 -3.55 0.00 0.00 -1.03 0.00 0.00 34.95 30.32 3hwd s ARG 43 CO 0.03 -0.33 0.00 0.39 -1.13 0.00 0.00 175.30 174.26 3hwd n GLU 44 N 5.08 0.00 -3.50 3.89 4.71 -1.26 -5.05 120.64 124.51 3hwd n GLU 44 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.81 3hwd n GLU 44 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.84 3hwd n GLU 44 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3hwd s PRO 48 N -0.97 2.59 -0.24 3.49 0.04 -1.26 -5.19 135.00 133.46 3hwd s PRO 48 Ca 0.00 -1.77 -0.29 0.00 0.04 0.00 0.00 61.00 58.98 3hwd s PRO 48 Cb 0.00 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.55 3hwd s PRO 48 CO 0.00 -1.22 1.03 -1.14 0.04 0.00 0.00 177.00 175.70 3hwd s GLN 49 N 1.38 4.23 0.53 4.56 2.00 -1.26 -4.99 119.66 126.11 3hwd s GLN 49 Ca 0.05 1.30 -0.19 0.00 -2.00 0.00 0.00 55.36 54.53 3hwd s GLN 49 Cb -0.27 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 29.82 3hwd s GLN 49 CO -0.00 -0.65 1.05 -1.59 -0.50 0.00 0.00 175.29 173.59 3hwd s LYS 50 N 3.22 3.62 0.33 1.67 0.00 -1.26 -1.58 119.74 125.74 3hwd s LYS 50 Ca 0.43 1.31 -0.27 0.00 0.00 0.00 0.00 55.97 57.44 3hwd s LYS 50 Cb -0.15 -2.07 -0.09 0.00 0.00 0.00 0.00 37.83 35.52 3hwd s LYS 50 CO 0.07 -0.58 1.06 1.41 0.00 0.00 0.00 175.35 177.32 3hwd s MET 51 N -3.54 4.47 0.38 1.78 1.75 -0.23 -4.75 119.30 119.15 3hwd s MET 51 Ca 0.66 1.65 0.07 0.00 -1.25 0.00 0.00 55.69 56.82 3hwd s MET 51 Cb -0.16 -2.93 -0.07 0.00 2.84 0.00 0.00 34.83 34.51 3hwd s MET 51 CO 0.26 0.10 -0.02 1.52 -0.65 0.00 0.00 175.02 176.23 3hwd s TYR 52 N -1.37 2.39 0.15 4.11 -0.00 -1.26 -4.65 117.35 116.72 3hwd s TYR 52 Ca 0.50 -0.66 0.06 0.00 -0.00 0.00 0.00 57.07 56.97 3hwd s TYR 52 Cb -0.27 -1.58 -0.04 0.00 -0.00 0.00 0.00 41.96 40.07 3hwd s TYR 52 CO 0.34 0.43 -0.13 0.00 -0.00 0.00 0.00 175.55 176.19 3hwd s ALA 53 N -2.76 1.64 -0.04 9.51 0.00 0.30 -2.58 121.76 127.82 3hwd s ALA 53 Ca 0.34 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 3hwd s ALA 53 Cb 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hwd s ALA 53 CO 0.17 0.05 0.07 0.99 0.00 0.00 0.00 175.76 177.04 3hwd s THR 54 N -2.65 -0.12 -0.27 0.00 2.01 -0.69 -0.02 115.64 113.90 3hwd s THR 54 Ca 0.15 0.41 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 3hwd s THR 54 Cb -0.02 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.28 3hwd s THR 54 CO 0.03 0.17 0.21 -0.63 -0.69 0.00 0.00 174.62 173.72 3hwd s ILE 55 N 2.10 5.30 -0.46 1.82 1.01 0.47 -1.75 121.20 129.69 3hwd s ILE 55 Ca 0.04 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.77 3hwd s ILE 55 Cb -0.12 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.87 3hwd s ILE 55 CO -0.03 0.26 0.38 -0.31 0.00 0.00 0.00 174.94 175.23 3hwd s TYR 56 N 1.66 3.25 -0.29 3.97 2.02 0.20 -2.03 117.35 126.13 3hwd s TYR 56 Ca 0.08 -0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 55.76 3hwd s TYR 56 Cb -0.15 -3.09 -0.03 0.00 -0.40 0.00 0.00 41.96 38.28 3hwd s TYR 56 CO 0.10 -0.78 0.17 -1.21 -1.57 0.00 0.00 175.55 172.26 3hwd s GLU 57 N 1.63 3.67 -0.36 -0.62 8.01 -1.25 0.36 118.70 130.14 3hwd s GLU 57 Ca 0.04 -0.50 -0.28 0.00 0.01 0.00 0.00 54.97 54.24 3hwd s GLU 57 Cb -0.24 -3.60 -0.01 0.00 -4.31 0.00 0.00 34.13 25.98 3hwd s GLU 57 CO 0.07 -0.28 1.69 -1.17 0.01 0.00 0.00 175.26 175.57 3hwd s LEU 58 N 1.69 3.52 0.00 1.80 2.96 -1.26 -2.56 118.68 124.83 3hwd s LEU 58 Ca 0.06 1.15 0.28 0.00 -0.22 0.00 0.00 54.13 55.40 3hwd s LEU 58 Cb -0.16 -3.51 1.44 0.00 0.50 0.00 0.00 46.19 44.46 3hwd s LEU 58 CO 0.08 -1.64 1.95 1.17 -1.32 0.00 0.00 176.35 176.60 3hwd n LYS 59 N 8.34 0.48 -0.99 1.98 4.81 0.56 -4.89 118.16 128.45 3hwd n LYS 59 Ca 0.21 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 3hwd n LYS 59 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.02 3hwd n LYS 59 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hwd n GLU 60 N -1.23 -0.16 0.00 1.64 -0.00 -1.26 -4.81 120.64 114.83 3hwd n GLU 60 Ca 0.15 0.04 -0.09 0.00 -0.00 0.00 0.00 57.16 57.25 3hwd n GLU 60 Cb 0.19 -3.09 -0.14 0.00 -0.00 0.00 0.00 31.44 28.41 3hwd n GLU 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3hwd h ASP 61 N 0.00 0.04 -3.98 -1.84 3.32 -2.00 -3.46 116.42 108.51 3hwd h ASP 61 Ca 0.00 -0.08 -0.71 0.00 0.02 0.00 0.00 57.03 56.26 3hwd h ASP 61 Cb 0.08 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 39.27 3hwd h ASP 61 CO 0.00 1.07 -0.25 -0.54 -1.72 0.00 0.00 179.24 177.80 3hwd s LYS 62 N -2.62 2.85 0.49 3.56 1.02 -1.26 -5.11 119.74 118.67 3hwd s LYS 62 Ca -0.04 -2.69 0.01 0.00 0.02 0.00 0.00 55.97 53.27 3hwd s LYS 62 Cb 0.08 -3.87 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 3hwd s LYS 62 CO 0.82 -1.21 0.72 -1.54 -0.92 0.00 0.00 175.35 173.22 3hwd s SER 63 N 0.69 5.59 -0.24 2.83 1.04 -1.26 -4.58 113.70 117.76 3hwd s SER 63 Ca 0.19 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 3hwd s SER 63 Cb -0.16 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3hwd s SER 63 CO -0.06 -0.89 -0.02 -0.31 0.98 0.00 0.00 173.24 172.94 3hwd s TYR 64 N -2.65 3.01 -1.05 5.02 1.51 -0.64 -0.32 117.35 122.23 3hwd s TYR 64 Ca 0.52 -1.06 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 3hwd s TYR 64 Cb -0.10 -2.12 0.10 0.00 -0.11 0.00 0.00 41.96 39.73 3hwd s TYR 64 CO 0.38 -0.59 1.36 1.21 -1.11 0.00 0.00 175.55 176.81 3hwd s ASN 65 N 1.45 6.69 -0.42 2.29 3.04 -1.06 -1.11 114.94 125.82 3hwd s ASN 65 Ca 0.04 -2.06 -0.29 0.00 0.04 0.00 0.00 52.86 50.59 3hwd s ASN 65 Cb -0.15 -2.48 0.02 0.00 -1.54 0.00 0.00 41.25 37.10 3hwd s ASN 65 CO -0.02 -1.17 1.17 -0.69 -3.04 0.00 0.00 177.10 173.35 3hwd s VAL 66 N 3.45 4.23 -0.23 -5.21 1.01 0.30 -3.95 120.40 120.00 3hwd s VAL 66 Ca 0.41 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 3hwd s VAL 66 Cb -0.02 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 3hwd s VAL 66 CO -0.06 -0.82 -0.04 0.28 0.00 0.00 0.00 175.10 174.47 3hwd s THR 67 N 4.40 3.34 -0.16 3.92 -1.32 -0.86 -1.07 115.64 123.88 3hwd s THR 67 Ca 0.50 -0.56 -0.09 0.00 -1.21 0.00 0.00 61.69 60.33 3hwd s THR 67 Cb -0.10 -2.54 -0.05 0.00 -1.51 0.00 0.00 72.50 68.30 3hwd s THR 67 CO 0.27 0.39 0.14 -0.55 -2.21 0.00 0.00 174.62 172.66 3hwd s SER 68 N 1.46 6.31 -0.15 8.08 0.15 -0.49 -0.39 113.70 128.67 3hwd s SER 68 Ca 0.05 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.08 3hwd s SER 68 Cb -0.15 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.10 3hwd s SER 68 CO -0.03 0.29 -0.20 0.54 1.20 0.00 0.00 173.24 175.04 3hwd s VAL 69 N -0.32 1.96 0.03 4.45 0.11 0.97 -2.19 120.40 125.40 3hwd s VAL 69 Ca 0.12 -0.90 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 3hwd s VAL 69 Cb -0.12 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 3hwd s VAL 69 CO 0.01 0.53 -0.02 -1.48 -3.33 0.00 0.00 175.10 170.81 3hwd s LEU 70 N 1.07 2.28 -0.32 2.54 -0.00 -1.17 -0.54 118.68 122.55 3hwd s LEU 70 Ca -0.01 -0.68 -0.13 0.00 -0.00 0.00 0.00 54.13 53.31 3hwd s LEU 70 Cb -0.14 0.19 -0.03 0.00 -0.00 0.00 0.00 46.19 46.21 3hwd s LEU 70 CO -0.07 -0.43 0.26 0.12 -0.00 0.00 0.00 176.35 176.24 3hwd s PHE 71 N -2.44 3.22 -0.17 3.48 2.19 -1.26 -2.13 117.98 120.88 3hwd s PHE 71 Ca -0.07 -0.05 -0.08 0.00 0.33 0.00 0.00 56.93 57.05 3hwd s PHE 71 Cb -0.03 -2.50 -0.07 0.00 -1.31 0.00 0.00 43.02 39.11 3hwd s PHE 71 CO -0.04 -0.32 -0.22 2.89 1.83 0.00 0.00 175.22 179.36 3hwd n ARG 72 N 5.16 0.36 0.00 10.12 -4.01 -1.26 -5.00 116.66 122.03 3hwd n ARG 72 Ca -0.12 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 3hwd n ARG 72 Cb 0.50 -1.10 0.00 0.00 -3.04 0.00 0.00 32.46 28.83 3hwd n ARG 72 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3hwd n LYS 75 N -3.76 0.00 -4.47 2.89 5.02 -1.26 -5.00 118.16 111.59 3hwd n LYS 75 Ca -0.33 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.67 3hwd n LYS 75 Cb 0.73 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.58 3hwd n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hwd s ASP 77 N 0.98 4.61 -0.01 0.00 1.01 -0.90 -5.03 116.67 117.32 3hwd s ASP 77 Ca -0.07 -0.37 0.05 0.00 0.71 0.00 0.00 52.55 52.88 3hwd s ASP 77 Cb -0.15 -0.95 -0.01 0.00 1.01 0.00 0.00 42.92 42.82 3hwd s ASP 77 CO -0.02 0.15 -0.17 -0.31 0.21 0.00 0.00 175.17 175.04 3hwd s TYR 78 N -1.42 1.48 -0.21 4.23 2.02 -1.26 -3.02 117.35 119.17 3hwd s TYR 78 Ca 0.24 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3hwd s TYR 78 Cb -0.10 -0.95 0.06 0.00 -0.40 0.00 0.00 41.96 40.56 3hwd s TYR 78 CO 0.16 -0.02 -0.01 -1.58 -1.57 0.00 0.00 175.55 172.53 3hwd s TRP 79 N -0.40 1.67 -0.23 2.71 0.52 -0.93 -5.00 118.94 117.27 3hwd s TRP 79 Ca 0.06 -1.27 -0.13 0.00 0.02 0.00 0.00 56.10 54.79 3hwd s TRP 79 Cb -0.06 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 3hwd s TRP 79 CO -0.01 -0.68 0.27 0.42 0.02 0.00 0.00 176.95 176.97 3hwd s ILE 80 N 1.64 5.28 0.17 2.03 -1.09 -1.26 -1.39 121.20 126.58 3hwd s ILE 80 Ca -0.03 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 3hwd s ILE 80 Cb -0.18 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3hwd s ILE 80 CO -0.07 0.29 0.11 -0.13 -1.23 0.00 0.00 174.94 173.90 3hwd s ARG 81 N 1.31 1.10 -0.08 2.79 3.00 -0.23 -5.03 118.95 121.79 3hwd s ARG 81 Ca 0.12 -1.55 0.01 0.00 0.00 0.00 0.00 55.73 54.31 3hwd s ARG 81 Cb -0.14 0.26 0.02 0.00 0.00 0.00 0.00 34.95 35.09 3hwd s ARG 81 CO 0.07 -0.34 -0.10 0.99 0.00 0.00 0.00 175.30 175.92 3hwd s THR 82 N -4.11 1.04 -0.38 0.02 2.01 -1.26 -0.53 115.64 112.42 3hwd s THR 82 Ca 0.33 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 3hwd s THR 82 Cb 0.07 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.63 3hwd s THR 82 CO 0.08 0.35 0.21 -0.36 -0.69 0.00 0.00 174.62 174.20 3hwd s PHE 83 N 1.06 3.26 0.27 4.92 2.99 -0.27 0.13 117.98 130.35 3hwd s PHE 83 Ca -0.07 -1.15 -0.18 0.00 0.00 0.00 0.00 56.93 55.52 3hwd s PHE 83 Cb -0.14 -2.53 -0.09 0.00 0.00 0.00 0.00 43.02 40.26 3hwd s PHE 83 CO -0.01 -0.71 0.75 0.54 -0.00 0.00 0.00 175.22 175.79 3hwd s VAL 84 N 1.50 4.58 0.18 -0.44 0.11 0.94 -1.62 120.40 125.66 3hwd s VAL 84 Ca 0.02 1.20 -0.32 0.00 -2.93 0.00 0.00 61.98 59.95 3hwd s VAL 84 Cb -0.20 -3.76 -0.11 0.00 -1.53 0.00 0.00 36.38 30.78 3hwd s VAL 84 CO 0.05 0.03 1.60 -2.84 -3.33 0.00 0.00 175.10 170.61 3hwd s PRO 85 N -2.41 4.19 0.00 1.54 0.02 -1.26 0.04 135.00 137.12 3hwd s PRO 85 Ca 0.48 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3hwd s PRO 85 Cb -0.14 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3hwd s PRO 85 CO 0.19 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3hwd n GLY 86 N 3.71 0.73 0.18 0.52 0.00 -0.51 -4.65 105.19 105.17 3hwd n GLY 86 Ca 0.14 -1.44 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 3hwd n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hwd h SER 87 N 0.00 -0.34 -3.18 1.61 4.64 -1.95 -3.46 113.55 110.86 3hwd h SER 87 Ca 0.00 0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.83 3hwd h SER 87 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hwd h SER 87 CO 0.00 -0.09 -0.11 -1.10 -0.87 0.00 0.00 176.83 174.66 3hwd s GLN 88 N -3.04 3.60 -0.05 4.77 1.11 -1.26 -5.04 119.66 119.74 3hwd s GLN 88 Ca -0.06 -0.03 -0.30 0.00 0.01 0.00 0.00 55.36 54.99 3hwd s GLN 88 Cb 0.01 -2.61 -0.04 0.00 -1.01 0.00 0.00 33.01 29.35 3hwd s GLN 88 CO 0.18 0.14 1.42 -1.25 0.01 0.00 0.00 175.29 175.79 3hwd s PRO 89 N -3.87 4.25 0.00 2.91 0.04 -1.26 -2.49 135.00 134.59 3hwd s PRO 89 Ca 0.44 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3hwd s PRO 89 Cb -0.10 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.72 3hwd s PRO 89 CO 0.33 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3hwd n GLY 90 N 3.74 1.53 3.81 0.56 0.00 -1.26 -4.50 105.19 109.07 3hwd n GLY 90 Ca 0.14 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3hwd n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwd s GLU 91 N 0.00 4.30 -0.03 1.61 2.02 -1.04 -1.43 118.70 124.13 3hwd s GLU 91 Ca 0.00 0.96 -0.01 0.00 0.02 0.00 0.00 54.97 55.94 3hwd s GLU 91 Cb 0.00 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.48 3hwd s GLU 91 CO 0.00 0.31 0.06 -0.06 0.02 0.00 0.00 175.26 175.59 3hwd s PHE 92 N -1.64 -0.05 0.29 1.61 0.40 0.20 -1.42 117.98 117.37 3hwd s PHE 92 Ca 0.47 0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.95 3hwd s PHE 92 Cb -0.16 -0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.23 3hwd s PHE 92 CO 0.21 -0.07 0.55 0.95 0.70 0.00 0.00 175.22 177.55 3hwd s THR 93 N 0.59 5.03 -0.07 0.64 -4.23 0.11 -0.41 115.64 117.29 3hwd s THR 93 Ca -0.05 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.22 3hwd s THR 93 Cb -0.07 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 3hwd s THR 93 CO -0.02 -0.31 1.10 -0.22 -0.54 0.00 0.00 174.62 174.62 3hwd s LEU 94 N -3.53 4.27 0.24 4.79 2.96 -1.26 -0.04 118.68 126.12 3hwd s LEU 94 Ca 0.44 1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 55.73 3hwd s LEU 94 Cb -0.11 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 3hwd s LEU 94 CO 0.30 -0.49 1.14 -0.83 -1.32 0.00 0.00 176.35 175.15 3hwd s GLY 95 N 1.25 2.92 -1.17 7.98 0.00 0.34 -3.45 107.32 115.20 3hwd s GLY 95 Ca 0.52 0.93 -0.06 0.00 0.00 0.00 0.00 44.72 46.11 3hwd s GLY 95 CO 0.21 1.65 0.85 1.16 0.00 0.00 0.00 173.10 176.97 3hwd n ASN 96 N 1.69 -3.98 -0.05 1.64 6.94 -1.26 -4.55 115.26 115.68 3hwd n ASN 96 Ca 0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 54.58 53.79 3hwd n ASN 96 Cb 0.45 -4.55 0.30 0.00 -2.36 0.00 0.00 39.78 33.61 3hwd n ASN 96 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hwd h ILE 97 N -1.61 1.18 -0.08 1.53 2.04 -1.96 -2.23 117.51 116.38 3hwd h ILE 97 Ca -0.62 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3hwd h ILE 97 Cb 1.34 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3hwd h ILE 97 CO 0.49 0.23 0.00 0.29 0.00 0.00 0.00 178.15 179.16 3hwd n LYS 98 N -4.34 1.27 0.00 2.37 4.01 -1.26 -3.28 118.16 116.93 3hwd n LYS 98 Ca 0.03 -0.42 0.13 0.00 -0.51 0.00 0.00 58.31 57.54 3hwd n LYS 98 Cb 0.17 -1.25 0.33 0.00 -0.51 0.00 0.00 35.03 33.77 3hwd n LYS 98 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3hwd n SER 99 N -0.30 1.76 -4.12 4.39 2.88 -0.84 -4.76 113.62 112.63 3hwd n SER 99 Ca 0.11 -1.45 -0.35 0.00 -1.33 0.00 0.00 58.87 55.85 3hwd n SER 99 Cb 0.14 0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.57 3hwd n SER 99 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hwd s TYR 100 N -2.19 3.55 -0.03 0.66 1.51 -1.21 -5.08 117.35 114.56 3hwd s TYR 100 Ca 0.30 -2.38 -0.36 0.00 -1.01 0.00 0.00 57.07 53.62 3hwd s TYR 100 Cb 0.20 -2.95 -0.14 0.00 -0.11 0.00 0.00 41.96 38.96 3hwd s TYR 100 CO 0.41 -0.93 1.66 -2.30 -1.11 0.00 0.00 175.55 173.27 3hwd n PRO 101 N 4.56 1.74 0.00 -1.71 -0.02 -1.26 -2.07 135.00 136.24 3hwd n PRO 101 Ca -0.04 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hwd n PRO 101 Cb 0.42 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3hwd n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwd n GLY 102 N 3.72 3.02 3.62 -1.23 0.00 -1.26 -5.01 105.19 108.05 3hwd n GLY 102 Ca 0.21 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3hwd n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwd s LEU 103 N 0.00 3.74 -0.22 0.99 0.20 -0.88 -2.83 118.68 119.68 3hwd s LEU 103 Ca 0.00 1.38 -0.18 0.00 0.69 0.00 0.00 54.13 56.03 3hwd s LEU 103 Cb 0.00 -3.53 -0.14 0.00 -0.43 0.00 0.00 46.19 42.09 3hwd s LEU 103 CO 0.00 -1.39 -0.05 0.35 -0.29 0.00 0.00 176.35 174.97 3hwd n THR 104 N 6.76 1.52 -4.59 3.68 -2.24 -0.01 -4.81 114.28 114.59 3hwd n THR 104 Ca 0.19 -0.10 -0.27 0.00 -2.27 0.00 0.00 64.05 61.60 3hwd n THR 104 Cb 0.46 -2.05 -0.14 0.00 -2.10 0.00 0.00 70.33 66.50 3hwd n THR 104 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hwd s SER 105 N -6.86 2.86 -0.20 3.42 0.01 -1.11 -4.99 113.70 106.83 3hwd s SER 105 Ca -0.30 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.24 3hwd s SER 105 Cb 0.08 -0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.17 3hwd s SER 105 CO 0.51 0.17 0.47 -0.47 0.41 0.00 0.00 173.24 174.32 3hwd s TYR 106 N -0.93 -0.78 -0.07 2.43 6.14 -1.26 -0.03 117.35 122.84 3hwd s TYR 106 Ca 0.10 1.55 0.01 0.00 0.64 0.00 0.00 57.07 59.36 3hwd s TYR 106 Cb -0.10 0.37 0.02 0.00 0.42 0.00 0.00 41.96 42.67 3hwd s TYR 106 CO 0.03 -0.43 -0.07 -1.17 0.64 0.00 0.00 175.55 174.55 3hwd s LEU 107 N 1.92 1.27 -0.07 6.97 1.98 0.54 -3.98 118.68 127.31 3hwd s LEU 107 Ca -0.07 -0.22 0.01 0.00 -2.89 0.00 0.00 54.13 50.96 3hwd s LEU 107 Cb -0.09 -0.66 -0.03 0.00 0.66 0.00 0.00 46.19 46.07 3hwd s LEU 107 CO -0.14 -0.07 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.50 3hwd s VAL 108 N 1.20 3.77 -0.27 1.68 1.01 0.46 -0.08 120.40 128.18 3hwd s VAL 108 Ca -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3hwd s VAL 108 Cb -0.14 -2.55 0.14 0.00 0.00 0.00 0.00 36.38 33.83 3hwd s VAL 108 CO -0.02 0.59 0.53 -0.60 0.00 0.00 0.00 175.10 175.60 3hwd s ARG 109 N -0.86 0.47 -0.03 2.72 3.52 0.55 0.63 118.95 125.95 3hwd s ARG 109 Ca 0.13 1.04 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 3hwd s ARG 109 Cb -0.11 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.62 3hwd s ARG 109 CO 0.02 -0.43 1.16 0.08 -0.81 0.00 0.00 175.30 175.31 3hwd s VAL 110 N 2.75 4.31 -0.26 7.11 1.01 -0.52 0.16 120.40 134.97 3hwd s VAL 110 Ca 0.07 1.64 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 3hwd s VAL 110 Cb -0.14 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.03 3hwd s VAL 110 CO -0.18 0.04 -0.21 0.55 0.00 0.00 0.00 175.10 175.30 3hwd n VAL 111 N 4.37 1.53 -3.72 2.92 3.14 0.02 -2.13 118.33 124.46 3hwd n VAL 111 Ca 0.10 -0.46 -0.12 0.00 -2.96 0.00 0.00 64.34 60.90 3hwd n VAL 111 Cb 0.47 -1.68 -0.11 0.00 -1.06 0.00 0.00 33.84 31.46 3hwd n VAL 111 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3hwd s SER 112 N -7.00 -0.46 -0.02 6.55 0.15 -1.08 -2.89 113.70 108.94 3hwd s SER 112 Ca -0.35 0.83 -0.23 0.00 0.70 0.00 0.00 55.95 56.89 3hwd s SER 112 Cb 0.11 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.25 3hwd s SER 112 CO 0.56 -0.16 0.51 0.28 1.20 0.00 0.00 173.24 175.63 3hwd s THR 113 N 0.80 0.03 -0.35 6.45 -1.32 -1.26 -0.00 115.64 119.99 3hwd s THR 113 Ca -0.05 -0.22 0.09 0.00 -1.21 0.00 0.00 61.69 60.30 3hwd s THR 113 Cb -0.06 -0.85 -0.10 0.00 -1.51 0.00 0.00 72.50 69.98 3hwd s THR 113 CO -0.06 -0.12 0.34 0.59 -2.21 0.00 0.00 174.62 173.16 3hwd n ASN 114 N 0.98 0.84 -3.07 8.08 3.02 -1.26 -4.99 115.26 118.87 3hwd n ASN 114 Ca -0.20 -0.59 -0.17 0.00 -0.03 0.00 0.00 54.58 53.59 3hwd n ASN 114 Cb 0.57 1.07 0.07 0.00 -0.61 0.00 0.00 39.78 40.88 3hwd n ASN 114 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hwd n TYR 115 N -1.31 -2.11 -2.19 3.10 4.01 -1.26 -5.05 117.16 112.35 3hwd n TYR 115 Ca 0.01 0.82 -0.00 0.00 -0.16 0.00 0.00 57.90 58.57 3hwd n TYR 115 Cb 0.15 -4.51 -0.00 0.00 -0.31 0.00 0.00 39.34 34.67 3hwd n TYR 115 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3hwd n HIS 118 N -4.07 -2.07 -3.54 -0.72 -0.00 -1.22 -4.88 115.22 98.72 3hwd n HIS 118 Ca -0.13 1.23 -0.08 0.00 -0.00 0.00 0.00 57.72 58.74 3hwd n HIS 118 Cb 0.60 -2.22 -0.02 0.00 -0.00 0.00 0.00 29.99 28.35 3hwd n HIS 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hwd s ALA 119 N -0.26 -1.75 -0.26 1.57 0.00 0.14 -4.70 121.76 116.50 3hwd s ALA 119 Ca -0.01 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 3hwd s ALA 119 Cb 0.00 0.52 0.11 0.00 0.00 0.00 0.00 23.12 23.75 3hwd s ALA 119 CO 0.01 -0.77 0.58 1.41 0.00 0.00 0.00 175.76 176.99 3hwd s MET 120 N -3.24 0.52 -0.04 0.00 -2.45 1.00 -0.77 119.30 114.31 3hwd s MET 120 Ca 0.06 1.26 0.04 0.00 -1.25 0.00 0.00 55.69 55.79 3hwd s MET 120 Cb -0.01 0.55 -0.00 0.00 1.25 0.00 0.00 34.83 36.61 3hwd s MET 120 CO -0.07 -0.20 -0.15 0.54 1.05 0.00 0.00 175.02 176.19 3hwd s VAL 121 N 2.51 1.24 -0.05 10.11 0.11 -1.17 -0.80 120.40 132.36 3hwd s VAL 121 Ca -0.06 -0.61 -0.21 0.00 -2.93 0.00 0.00 61.98 58.18 3hwd s VAL 121 Cb -0.11 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 3hwd s VAL 121 CO -0.17 0.37 0.59 0.12 -3.33 0.00 0.00 175.10 172.68 3hwd s PHE 122 N 0.13 3.61 -0.12 1.54 2.19 0.41 -3.14 117.98 122.60 3hwd s PHE 122 Ca -0.05 1.13 0.01 0.00 0.33 0.00 0.00 56.93 58.36 3hwd s PHE 122 Cb -0.11 -2.64 0.02 0.00 -1.31 0.00 0.00 43.02 38.97 3hwd s PHE 122 CO 0.02 0.24 -0.16 -0.06 1.83 0.00 0.00 175.22 177.09 3hwd s PHE 123 N 0.28 2.13 0.07 10.12 0.08 -0.42 -0.33 117.98 129.90 3hwd s PHE 123 Ca 0.31 -1.07 0.09 0.00 0.12 0.00 0.00 56.93 56.38 3hwd s PHE 123 Cb -0.17 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3hwd s PHE 123 CO 0.16 -0.55 -0.24 0.21 -0.10 0.00 0.00 175.22 174.69 3hwd s LYS 124 N 1.11 1.49 -0.22 0.44 2.20 0.89 -0.69 119.74 124.97 3hwd s LYS 124 Ca -0.03 -1.11 -0.14 0.00 -0.36 0.00 0.00 55.97 54.33 3hwd s LYS 124 Cb -0.14 -1.72 0.07 0.00 -1.51 0.00 0.00 37.83 34.52 3hwd s LYS 124 CO -0.04 0.43 0.54 0.00 -0.36 0.00 0.00 175.35 175.92 3hwd s ALA 125 N -0.90 -1.42 -0.26 3.13 0.00 -0.01 -0.34 121.76 121.96 3hwd s ALA 125 Ca 0.10 1.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 3hwd s ALA 125 Cb -0.10 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3hwd s ALA 125 CO 0.03 -0.30 -0.01 0.08 0.00 0.00 0.00 175.76 175.55 3hwd s VAL 126 N 1.22 3.23 -0.04 0.00 1.01 0.95 -0.22 120.40 126.55 3hwd s VAL 126 Ca -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3hwd s VAL 126 Cb -0.06 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3hwd s VAL 126 CO -0.12 0.15 -0.05 -0.94 0.00 0.00 0.00 175.10 174.14 3hwd s SER 127 N 1.38 0.98 -1.47 3.32 1.04 -1.05 -0.83 113.70 117.07 3hwd s SER 127 Ca 0.01 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 3hwd s SER 127 Cb -0.17 -0.47 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3hwd s SER 127 CO -0.02 -0.05 0.86 0.00 0.98 0.00 0.00 173.24 175.01 3hwd n GLN 128 N 4.02 -6.06 -2.09 4.02 -0.00 -1.13 -2.15 117.38 114.00 3hwd n GLN 128 Ca -0.25 0.82 -0.20 0.00 -0.00 0.00 0.00 57.00 57.37 3hwd n GLN 128 Cb 0.51 -5.75 -0.04 0.00 -0.00 0.00 0.00 30.24 24.96 3hwd n GLN 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3hwd n ASN 129 N -2.73 -5.57 -4.26 2.61 4.13 -1.26 -4.99 115.26 103.18 3hwd n ASN 129 Ca -0.04 0.16 -0.34 0.00 1.68 0.00 0.00 54.58 56.04 3hwd n ASN 129 Cb 0.58 -4.68 -0.15 0.00 -1.54 0.00 0.00 39.78 33.99 3hwd n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hwd s ARG 130 N -4.52 3.24 -0.74 3.52 0.52 -0.91 -5.08 118.95 114.98 3hwd s ARG 130 Ca 0.00 -0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 3hwd s ARG 130 Cb 0.00 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.80 3hwd s ARG 130 CO 0.00 -0.06 1.20 -1.21 0.02 0.00 0.00 175.30 175.25 3hwd s GLU 131 N 1.03 3.21 0.14 3.54 8.01 -1.26 -2.53 118.70 130.83 3hwd s GLU 131 Ca -0.01 -0.51 -0.04 0.00 0.01 0.00 0.00 54.97 54.43 3hwd s GLU 131 Cb -0.15 -4.30 -0.05 0.00 -4.31 0.00 0.00 34.13 25.33 3hwd s GLU 131 CO -0.03 -2.05 0.35 0.71 0.01 0.00 0.00 175.26 174.25 3hwd s TYR 132 N 5.14 3.48 0.18 1.61 1.51 0.69 -4.57 117.35 125.39 3hwd s TYR 132 Ca 0.32 0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 56.68 3hwd s TYR 132 Cb -0.10 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3hwd s TYR 132 CO 0.11 0.45 0.54 -0.59 -1.11 0.00 0.00 175.55 174.96 3hwd s PHE 133 N -1.66 -0.25 0.05 2.71 -0.71 -1.26 -0.83 117.98 116.02 3hwd s PHE 133 Ca 0.40 -0.06 -0.27 0.00 -1.04 0.00 0.00 56.93 55.95 3hwd s PHE 133 Cb -0.12 0.44 0.08 0.00 -1.21 0.00 0.00 43.02 42.21 3hwd s PHE 133 CO 0.26 -0.89 0.69 0.00 -1.34 0.00 0.00 175.22 173.94 3hwd s ALA 134 N -3.83 -1.71 -0.02 1.99 0.00 0.13 -2.84 121.76 115.49 3hwd s ALA 134 Ca 0.06 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.01 3hwd s ALA 134 Cb -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3hwd s ALA 134 CO -0.06 -0.59 -0.24 0.42 0.00 0.00 0.00 175.76 175.28 3hwd s ILE 135 N -2.63 1.89 -0.10 0.00 -1.09 0.26 -1.30 121.20 118.23 3hwd s ILE 135 Ca -0.03 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 3hwd s ILE 135 Cb -0.01 -1.57 0.02 0.00 -1.58 0.00 0.00 42.46 39.32 3hwd s ILE 135 CO -0.04 0.53 -0.09 0.42 -1.23 0.00 0.00 174.94 174.53 3hwd s THR 136 N -0.57 1.10 -0.75 2.92 -4.23 -1.19 -0.36 115.64 112.56 3hwd s THR 136 Ca 0.09 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.99 3hwd s THR 136 Cb -0.09 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.73 3hwd s THR 136 CO -0.01 0.37 1.17 -0.22 -0.54 0.00 0.00 174.62 175.40 3hwd s LEU 137 N 1.41 3.78 0.22 4.79 2.96 -0.89 -3.02 118.68 127.92 3hwd s LEU 137 Ca -0.00 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 52.74 3hwd s LEU 137 Cb -0.13 -2.50 -0.08 0.00 0.50 0.00 0.00 46.19 43.97 3hwd s LEU 137 CO -0.05 -1.61 0.96 -0.31 -1.32 0.00 0.00 176.35 174.02 3hwd s TYR 138 N 4.83 3.93 -0.00 5.38 2.02 0.05 -1.40 117.35 132.17 3hwd s TYR 138 Ca 0.31 1.88 0.02 0.00 -0.37 0.00 0.00 57.07 58.92 3hwd s TYR 138 Cb -0.10 -3.02 -0.01 0.00 -0.40 0.00 0.00 41.96 38.44 3hwd s TYR 138 CO 0.09 0.34 -0.08 0.20 -1.57 0.00 0.00 175.55 174.53 3hwd s GLY 139 N -0.94 0.39 0.12 0.71 0.00 -0.45 0.29 107.32 107.43 3hwd s GLY 139 Ca 0.42 -0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.64 3hwd s GLY 139 CO 0.32 -0.33 1.45 -0.09 0.00 0.00 0.00 173.10 174.45 3hwd h ARG 140 N 5.81 0.84 -6.68 2.90 9.65 -1.88 -0.77 114.38 124.24 3hwd h ARG 140 Ca -0.30 -0.44 -0.44 0.00 -1.10 0.00 0.00 59.98 57.70 3hwd h ARG 140 Cb 1.19 0.02 0.04 0.00 -1.39 0.00 0.00 29.97 29.82 3hwd h ARG 140 CO 0.49 1.08 -0.12 0.95 2.80 0.00 0.00 179.97 185.17 3hwd s THR 141 N -4.38 2.69 0.11 0.20 -4.23 -1.26 -4.63 115.64 104.14 3hwd s THR 141 Ca -0.12 -0.83 0.28 0.00 -1.18 0.00 0.00 61.69 59.85 3hwd s THR 141 Cb 0.10 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.39 3hwd s THR 141 CO 0.86 0.00 1.89 0.11 -0.54 0.00 0.00 174.62 176.94 3hwd h LYS 142 N 0.25 0.00 -5.98 3.99 1.57 -1.95 -3.43 116.57 111.02 3hwd h LYS 142 Ca -0.39 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.84 3hwd h LYS 142 Cb 1.29 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 3hwd h LYS 142 CO 0.47 0.12 -0.42 -1.21 -0.57 0.00 0.00 179.45 177.84 3hwd s GLU 143 N -3.66 2.33 0.00 3.15 2.02 -1.26 -4.86 118.70 116.42 3hwd s GLU 143 Ca 0.01 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.21 3hwd s GLU 143 Cb 0.10 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.21 3hwd s GLU 143 CO 0.60 -0.24 0.00 -0.85 0.02 0.00 0.00 175.26 174.78 3hwd n GLU 147 N -1.44 0.00 0.09 1.61 0.00 -1.26 -5.06 120.64 114.57 3hwd n GLU 147 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 3hwd n GLU 147 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.99 3hwd n GLU 147 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hwd h LEU 148 N 0.00 -0.21 -1.23 -1.84 3.38 -2.05 -0.17 115.31 113.19 3hwd h LEU 148 Ca 0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hwd h LEU 148 Cb 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hwd h LEU 148 CO 0.00 0.21 0.17 0.11 0.09 0.00 0.00 178.44 179.02 3hwd h LYS 149 N -0.68 0.70 -0.48 1.13 1.57 -1.99 -1.57 116.57 115.26 3hwd h LYS 149 Ca -0.03 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 3hwd h LYS 149 Cb 0.49 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3hwd h LYS 149 CO 0.04 0.60 -0.12 1.05 -0.57 0.00 0.00 179.45 180.45 3hwd h GLU 150 N 0.69 0.92 0.00 3.15 9.09 -2.00 -2.47 114.58 123.97 3hwd h GLU 150 Ca 0.16 -0.36 -0.08 0.00 0.05 0.00 0.00 59.36 59.14 3hwd h GLU 150 Cb 0.18 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 3hwd h GLU 150 CO -0.01 1.01 -0.37 -2.95 0.05 0.00 0.00 179.01 176.74 3hwd h ASN 151 N 0.77 0.00 -0.20 3.06 -1.07 -0.73 -2.69 115.58 114.72 3hwd h ASN 151 Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.34 3hwd h ASN 151 Cb 0.68 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.92 3hwd h ASN 151 CO 0.05 0.37 -0.43 0.15 0.07 0.00 0.00 177.43 177.64 3hwd h PHE 152 N 0.00 0.90 -0.22 4.14 -0.00 -1.13 -2.19 116.94 118.44 3hwd h PHE 152 Ca -0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 57.97 57.63 3hwd h PHE 152 Cb 0.74 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.49 3hwd h PHE 152 CO 0.00 1.05 -0.13 0.82 -0.00 0.00 0.00 178.31 180.04 3hwd h ILE 153 N 0.60 1.21 -0.30 1.41 2.04 -1.24 -1.41 117.51 119.83 3hwd h ILE 153 Ca 0.04 -0.92 -0.17 0.00 1.00 0.00 0.00 64.86 64.82 3hwd h ILE 153 Cb 0.98 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3hwd h ILE 153 CO 0.09 0.29 -0.48 0.08 0.00 0.00 0.00 178.15 178.14 3hwd h ARG 154 N 0.34 0.80 -0.14 2.37 -0.00 -1.32 -2.39 114.38 114.04 3hwd h ARG 154 Ca 0.07 -0.47 -0.20 0.00 -0.00 0.00 0.00 59.98 59.38 3hwd h ARG 154 Cb 0.44 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 3hwd h ARG 154 CO 0.03 1.10 -0.72 0.35 -0.00 0.00 0.00 179.97 180.72 3hwd h PHE 155 N 0.63 0.84 -0.39 4.08 3.57 -1.18 -1.85 116.94 122.65 3hwd h PHE 155 Ca 0.03 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 3hwd h PHE 155 Cb 1.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3hwd h PHE 155 CO 0.06 1.15 0.16 0.66 -2.23 0.00 0.00 178.31 178.12 3hwd h SER 156 N 0.44 0.53 -0.11 0.41 4.64 -1.31 -2.53 113.55 115.62 3hwd h SER 156 Ca -0.03 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3hwd h SER 156 Cb 1.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3hwd h SER 156 CO 0.14 0.54 0.04 0.07 -0.87 0.00 0.00 176.83 176.75 3hwd h LYS 157 N 0.48 0.23 -0.02 4.77 5.09 -1.41 -1.99 116.57 123.73 3hwd h LYS 157 Ca 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 60.65 60.81 3hwd h LYS 157 Cb 0.17 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.45 3hwd h LYS 157 CO -0.01 0.22 -0.16 0.77 -2.09 0.00 0.00 179.45 178.19 3hwd h SER 158 N 0.23 0.03 -0.47 7.07 0.02 -0.90 -2.16 113.55 117.38 3hwd h SER 158 Ca 0.06 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hwd h SER 158 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hwd h SER 158 CO -0.00 0.19 0.00 0.18 -1.14 0.00 0.00 176.83 176.06 3hwd n LEU 159 N -4.34 2.66 -0.29 5.07 4.77 -0.79 -4.93 117.00 119.16 3hwd n LEU 159 Ca -0.02 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 3hwd n LEU 159 Cb 0.23 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hwd n LEU 159 CO 0.36 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3hwd n GLY 160 N 1.19 0.73 3.17 -0.72 0.00 -0.81 -4.61 105.19 104.14 3hwd n GLY 160 Ca 0.16 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3hwd n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwd s LEU 161 N -0.57 3.85 1.08 0.99 1.43 -0.92 -4.90 118.68 119.63 3hwd s LEU 161 Ca 0.00 -1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 51.70 3hwd s LEU 161 Cb 0.00 -1.70 0.19 0.00 0.03 0.00 0.00 46.19 44.71 3hwd s LEU 161 CO 0.00 -0.25 0.74 -2.65 0.23 0.00 0.00 176.35 174.42 3hwd n PRO 162 N 4.61 -1.59 0.25 1.29 -0.02 -1.26 -3.72 135.00 134.56 3hwd n PRO 162 Ca -0.13 -0.43 0.17 0.00 -2.02 0.00 0.00 63.50 61.09 3hwd n PRO 162 Cb 0.43 -2.07 0.71 0.00 -0.02 0.00 0.00 33.50 32.55 3hwd n PRO 162 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hwd h GLU 163 N -2.25 0.00 -0.54 -0.52 9.09 -1.97 -2.65 114.58 115.74 3hwd h GLU 163 Ca -0.54 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.81 3hwd h GLU 163 Cb 1.32 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.40 3hwd h GLU 163 CO 0.43 0.00 0.07 -0.97 0.05 0.00 0.00 179.01 178.59 3hwd h ASN 164 N 0.00 0.83 0.37 3.06 -1.24 -1.99 -3.03 115.58 113.58 3hwd h ASN 164 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.83 3hwd h ASN 164 Cb 0.40 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3hwd h ASN 164 CO 0.00 0.86 -0.16 1.41 -1.29 0.00 0.00 177.43 178.25 3hwd n HIS 165 N -4.23 0.00 -3.45 0.67 -0.00 -1.00 -1.48 115.22 105.73 3hwd n HIS 165 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.36 3hwd n HIS 165 Cb 0.27 -0.18 -0.10 0.00 -0.00 0.00 0.00 29.99 29.98 3hwd n HIS 165 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hwd s ILE 166 N -2.53 5.21 0.13 1.59 1.01 -1.15 -3.23 121.20 122.24 3hwd s ILE 166 Ca 0.26 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.14 3hwd s ILE 166 Cb 0.20 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3hwd s ILE 166 CO 0.50 0.05 0.05 -0.69 0.00 0.00 0.00 174.94 174.84 3hwd s VAL 167 N 1.95 4.13 -0.37 2.92 1.01 0.99 -4.78 120.40 126.25 3hwd s VAL 167 Ca 0.11 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3hwd s VAL 167 Cb -0.16 -3.04 0.12 0.00 0.00 0.00 0.00 36.38 33.30 3hwd s VAL 167 CO 0.11 -0.00 0.18 -0.36 0.00 0.00 0.00 175.10 175.03 3hwd s PHE 168 N -1.55 1.63 0.52 5.22 0.40 -1.26 -1.61 117.98 121.33 3hwd s PHE 168 Ca 0.28 -2.00 -0.22 0.00 -0.60 0.00 0.00 56.93 54.39 3hwd s PHE 168 Cb -0.11 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 3hwd s PHE 168 CO 0.20 -0.83 1.30 -1.25 0.70 0.00 0.00 175.22 175.35 3hwd s PRO 169 N 0.97 3.30 -0.04 0.24 0.04 -1.26 -4.95 135.00 133.30 3hwd s PRO 169 Ca 0.15 2.10 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 3hwd s PRO 169 Cb -0.21 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 3hwd s PRO 169 CO -0.09 -1.02 0.84 0.54 0.04 0.00 0.00 177.00 177.30 3hwd s VAL 170 N -1.37 4.95 0.96 -0.36 0.11 -0.62 -4.73 120.40 119.34 3hwd s VAL 170 Ca 0.70 1.74 -0.12 0.00 -2.93 0.00 0.00 61.98 61.37 3hwd s VAL 170 Cb -0.37 -4.18 0.11 0.00 -1.53 0.00 0.00 36.38 30.41 3hwd s VAL 170 CO 0.44 0.19 0.75 -2.65 -3.33 0.00 0.00 175.10 170.50 3hwd n PRO 171 N 3.94 -0.58 -3.96 1.54 -0.02 -1.26 -1.07 135.00 133.59 3hwd n PRO 171 Ca 0.03 -0.12 -0.09 0.00 -2.02 0.00 0.00 63.50 61.30 3hwd n PRO 171 Cb 0.51 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3hwd n PRO 171 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hwd s ILE 172 N -2.50 0.01 -0.45 4.25 1.01 -1.26 -4.70 121.20 117.56 3hwd s ILE 172 Ca 0.62 -1.32 0.10 0.00 0.00 0.00 0.00 60.65 60.05 3hwd s ILE 172 Cb -0.22 -2.08 -0.11 0.00 0.01 0.00 0.00 42.46 40.06 3hwd s ILE 172 CO 0.63 -0.05 0.42 0.47 0.00 0.00 0.00 174.94 176.40 3hwd n ASP 173 N -0.35 0.63 -4.64 3.58 10.43 -1.26 -4.91 116.55 120.03 3hwd n ASP 173 Ca -0.03 -0.69 -0.42 0.00 2.57 0.00 0.00 54.79 56.22 3hwd n ASP 173 Cb 0.62 1.03 -0.04 0.00 1.84 0.00 0.00 41.12 44.57 3hwd n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hwd s GLN 174 N -2.02 4.15 0.00 -1.24 1.11 -1.26 -4.37 119.66 116.03 3hwd s GLN 174 Ca 0.03 0.87 0.00 0.00 0.01 0.00 0.00 55.36 56.28 3hwd s GLN 174 Cb 0.08 -3.66 0.00 0.00 -1.01 0.00 0.00 33.01 28.42 3hwd s GLN 174 CO 0.42 -0.53 0.00 0.00 0.01 0.00 0.00 175.29 175.19 3hwd n ILE 176 N -2.41 2.32 -1.03 0.00 -5.35 -1.26 -4.79 119.36 106.84 3hwd n ILE 176 Ca 0.00 -4.35 0.00 0.00 -0.27 0.00 0.00 62.75 58.13 3hwd n ILE 176 Cb 0.25 -0.95 0.00 0.00 -1.74 0.00 0.00 39.64 37.20 3hwd n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26