#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 4.50 -0.01 4.04 -0.00 -1.26 -5.12 116.67 118.82 3hwd s ASP 6 Ca 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 52.55 52.49 3hwd s ASP 6 Cb 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 42.92 41.82 3hwd s ASP 6 CO 0.00 0.36 -0.03 -0.76 -0.00 0.00 0.00 175.17 174.73 3hwd s LEU 7 N -0.77 1.92 0.24 1.23 1.43 -1.26 -5.07 118.68 116.40 3hwd s LEU 7 Ca 0.12 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3hwd s LEU 7 Cb -0.11 -0.18 -0.10 0.00 0.03 0.00 0.00 46.19 45.83 3hwd s LEU 7 CO 0.01 0.03 1.49 -0.63 0.23 0.00 0.00 176.35 177.48 3hwd s ILE 8 N 0.04 2.54 0.41 -0.59 1.01 -1.26 -4.94 121.20 118.41 3hwd s ILE 8 Ca 0.00 0.45 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 3hwd s ILE 8 Cb -0.03 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 3hwd s ILE 8 CO -0.00 0.07 1.35 -2.84 0.00 0.00 0.00 174.94 173.52 3hwd s PRO 9 N -0.17 3.91 0.31 2.79 0.02 -1.26 -4.89 135.00 135.71 3hwd s PRO 9 Ca 0.62 2.27 -0.29 0.00 0.02 0.00 0.00 61.00 63.61 3hwd s PRO 9 Cb -0.43 -2.75 -0.11 0.00 0.02 0.00 0.00 34.50 31.23 3hwd s PRO 9 CO 0.42 -0.58 1.45 0.00 -0.33 0.00 0.00 177.00 177.96 3hwd s ALA 10 N -1.23 3.60 0.70 -1.55 0.00 -1.26 -4.97 121.76 117.06 3hwd s ALA 10 Ca 0.57 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 3hwd s ALA 10 Cb -0.40 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.16 3hwd s ALA 10 CO 0.52 -0.84 1.07 -1.25 0.00 0.00 0.00 175.76 175.26 3hwd s PRO 11 N -1.17 2.81 0.44 0.00 0.04 -1.26 -5.00 135.00 130.85 3hwd s PRO 11 Ca 0.56 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 3hwd s PRO 11 Cb -0.44 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 3hwd s PRO 11 CO 0.51 -1.21 1.27 -1.25 0.04 0.00 0.00 177.00 176.37 3hwd s PRO 12 N -4.91 3.79 0.59 0.56 0.04 -1.26 -4.91 135.00 128.90 3hwd s PRO 12 Ca 0.59 2.06 0.28 0.00 0.04 0.00 0.00 61.00 63.98 3hwd s PRO 12 Cb -0.15 -2.59 1.68 0.00 0.04 0.00 0.00 34.50 33.48 3hwd s PRO 12 CO 0.53 -0.61 2.14 -0.07 0.04 0.00 0.00 177.00 179.03 3hwd h LEU 13 N 2.33 0.00 -2.21 -3.56 3.38 -1.94 -1.05 115.31 112.26 3hwd h LEU 13 Ca -0.50 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3hwd h LEU 13 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hwd h LEU 13 CO 0.61 0.00 0.05 0.77 0.09 0.00 0.00 178.44 179.96 3hwd h SER 14 N 0.00 0.00 0.10 -0.43 4.64 -2.02 -1.33 113.55 114.51 3hwd h SER 14 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hwd h SER 14 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hwd h SER 14 CO -0.00 0.00 -0.05 0.29 -0.87 0.00 0.00 176.83 176.20 3hwd n LYS 15 N -4.17 1.18 -3.75 4.77 5.02 -0.40 -4.66 118.16 116.16 3hwd n LYS 15 Ca -0.02 -0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 55.41 3hwd n LYS 15 Cb 0.15 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 3hwd n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwd s VAL 16 N -2.16 3.43 0.88 -0.18 1.01 -0.50 -4.97 120.40 117.91 3hwd s VAL 16 Ca 0.37 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 3hwd s VAL 16 Cb 0.21 -3.30 0.13 0.00 0.00 0.00 0.00 36.38 33.41 3hwd s VAL 16 CO 0.39 -0.66 1.16 -2.84 0.00 0.00 0.00 175.10 173.16 3hwd s PRO 17 N 1.19 1.20 -0.12 2.72 0.02 -1.26 -4.98 135.00 133.76 3hwd s PRO 17 Ca 0.07 1.59 0.02 0.00 0.02 0.00 0.00 61.00 62.70 3hwd s PRO 17 Cb -0.23 -1.74 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 3hwd s PRO 17 CO -0.03 -2.51 -0.20 -1.17 -0.33 0.00 0.00 177.00 172.75 3hwd s LEU 18 N -6.38 2.26 0.07 -5.54 2.96 -1.26 -4.18 118.68 106.61 3hwd s LEU 18 Ca 0.68 -0.51 -0.33 0.00 -0.22 0.00 0.00 54.13 53.74 3hwd s LEU 18 Cb -0.24 -1.48 -0.13 0.00 0.50 0.00 0.00 46.19 44.85 3hwd s LEU 18 CO 0.56 0.13 1.73 1.67 -1.32 0.00 0.00 176.35 179.12 3hwd n GLN 19 N 3.72 2.29 -2.99 1.98 -0.06 -0.34 -4.95 117.38 117.04 3hwd n GLN 19 Ca -0.19 0.83 -0.36 0.00 -2.00 0.00 0.00 57.00 55.28 3hwd n GLN 19 Cb 0.52 -2.65 -0.06 0.00 -4.06 0.00 0.00 30.24 23.99 3hwd n GLN 19 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 3hwd s GLN 20 N 2.31 4.34 -1.28 3.69 -2.07 -1.26 -3.99 119.66 121.40 3hwd s GLN 20 Ca 0.84 1.01 -0.08 0.00 -1.82 0.00 0.00 55.36 55.31 3hwd s GLN 20 Cb -0.64 -2.78 -0.00 0.00 -1.09 0.00 0.00 33.01 28.49 3hwd s GLN 20 CO 0.42 0.32 0.63 -1.71 -1.32 0.00 0.00 175.29 173.62 3hwd n ASN 21 N 0.51 -2.48 -4.72 12.60 5.15 -1.26 -4.87 115.26 120.19 3hwd n ASN 21 Ca 0.00 -0.97 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 3hwd n ASN 21 Cb 0.51 -3.41 -0.03 0.00 -0.53 0.00 0.00 39.78 36.32 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 -3.70 2.92 -0.49 1.20 2.19 -1.26 -4.97 117.98 113.88 3hwd s PHE 22 Ca 0.19 0.47 -0.10 0.00 0.33 0.00 0.00 56.93 57.83 3hwd s PHE 22 Cb -0.07 -4.08 0.12 0.00 -1.31 0.00 0.00 43.02 37.69 3hwd s PHE 22 CO 0.86 -4.00 0.37 -0.65 1.83 0.00 0.00 175.22 173.64 3hwd s GLN 23 N 0.93 2.55 0.27 10.12 -0.21 -1.26 -4.84 119.66 127.21 3hwd s GLN 23 Ca 0.72 -1.81 -0.04 0.00 0.02 0.00 0.00 55.36 54.25 3hwd s GLN 23 Cb -0.48 -3.96 0.35 0.00 1.00 0.00 0.00 33.01 29.92 3hwd s GLN 23 CO 0.34 -1.21 1.93 0.38 -2.12 0.00 0.00 175.29 174.61 3hwd h ASP 24 N 8.42 1.03 -0.81 5.90 2.03 -1.99 -2.55 116.42 128.45 3hwd h ASP 24 Ca -0.20 -0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.04 3hwd h ASP 24 Cb 1.07 -0.26 -0.04 0.00 -0.83 0.00 0.00 39.33 39.27 3hwd h ASP 24 CO 0.87 0.77 0.46 -0.55 -1.03 0.00 0.00 179.24 179.76 3hwd h ASN 25 N 1.20 1.00 1.11 4.15 -1.07 -1.99 -2.81 115.58 117.17 3hwd h ASN 25 Ca 0.32 -0.09 -0.06 0.00 0.07 0.00 0.00 56.30 56.54 3hwd h ASN 25 Cb -0.09 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 35.90 3hwd h ASN 25 CO -0.06 0.80 -0.26 1.56 0.07 0.00 0.00 177.43 179.53 3hwd h GLN 26 N 1.12 0.00 -0.00 4.14 1.08 -1.90 -3.12 115.11 116.43 3hwd h GLN 26 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3hwd h GLN 26 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3hwd h GLN 26 CO -0.05 0.26 -0.12 0.34 -0.95 0.00 0.00 178.83 178.31 3hwd n PHE 27 N -3.33 0.00 -1.44 2.96 -0.00 -0.99 -4.85 117.46 109.80 3hwd n PHE 27 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.17 3hwd n PHE 27 Cb 0.50 -0.32 0.14 0.00 -0.00 0.00 0.00 39.48 39.79 3hwd n PHE 27 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3hwd s GLN 28 N -2.77 1.17 0.00 -4.13 -2.07 -1.18 -4.82 119.66 105.86 3hwd s GLN 28 Ca 0.20 0.44 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 3hwd s GLN 28 Cb 0.19 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 3hwd s GLN 28 CO 0.53 -2.21 0.00 0.41 -1.32 0.00 0.00 175.29 172.70 3hwd n GLY 29 N -1.88 -2.08 3.74 2.60 0.00 0.25 -4.90 105.19 102.93 3hwd n GLY 29 Ca 0.06 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3hwd n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hwd s LYS 30 N -0.30 4.57 -0.03 1.61 2.20 -1.26 -0.99 119.74 125.53 3hwd s LYS 30 Ca 0.00 1.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.86 3hwd s LYS 30 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 3hwd s LYS 30 CO 0.00 0.30 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.51 3hwd s TRP 31 N -0.18 1.93 -0.02 4.03 0.52 0.02 -4.80 118.94 120.43 3hwd s TRP 31 Ca 0.41 -0.47 -0.17 0.00 0.02 0.00 0.00 56.10 55.89 3hwd s TRP 31 Cb -0.22 -1.26 -0.05 0.00 -1.15 0.00 0.00 33.47 30.79 3hwd s TRP 31 CO 0.25 -0.11 0.46 0.71 0.02 0.00 0.00 176.95 178.28 3hwd s TYR 32 N -0.25 3.68 -0.91 -1.98 2.02 0.20 -0.65 117.35 119.46 3hwd s TYR 32 Ca 0.02 1.01 -0.21 0.00 -0.37 0.00 0.00 57.07 57.52 3hwd s TYR 32 Cb -0.10 -2.41 0.09 0.00 -0.40 0.00 0.00 41.96 39.14 3hwd s TYR 32 CO 0.01 0.49 1.22 0.08 -1.57 0.00 0.00 175.55 175.78 3hwd s VAL 33 N -0.55 4.35 -0.65 0.71 1.01 -0.51 0.54 120.40 125.30 3hwd s VAL 33 Ca 0.25 -1.04 0.24 0.00 0.00 0.00 0.00 61.98 61.43 3hwd s VAL 33 Cb -0.17 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.37 3hwd s VAL 33 CO 0.13 -1.66 1.28 1.33 0.00 0.00 0.00 175.10 176.18 3hwd n VAL 34 N 6.06 0.32 -3.77 2.92 0.24 -0.62 -4.44 118.33 119.04 3hwd n VAL 34 Ca 0.22 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 3hwd n VAL 34 Cb 0.49 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 3hwd n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hwd s GLY 35 N -3.63 -0.17 -0.05 7.63 0.00 -1.03 -4.01 107.32 106.06 3hwd s GLY 35 Ca 0.06 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.59 3hwd s GLY 35 CO 0.73 0.85 0.01 -2.27 0.00 0.00 0.00 173.10 172.43 3hwd s LEU 36 N 0.57 0.71 0.03 0.66 0.20 0.82 0.30 118.68 121.97 3hwd s LEU 36 Ca -0.04 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.78 3hwd s LEU 36 Cb -0.05 -0.28 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 3hwd s LEU 36 CO -0.03 -0.17 -0.06 0.00 -0.29 0.00 0.00 176.35 175.80 3hwd s ALA 37 N 1.64 0.46 0.00 5.97 0.00 -0.12 0.08 121.76 129.79 3hwd s ALA 37 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3hwd s ALA 37 Cb -0.13 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3hwd s ALA 37 CO -0.03 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3hwd n GLY 38 N 1.71 0.78 0.15 0.00 0.00 -1.09 0.10 105.19 106.84 3hwd n GLY 38 Ca -0.22 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.32 1.61 -1.07 -1.72 -2.85 115.58 111.23 3hwd h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hwd h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3hwd h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 3hwd n ALA 40 N -1.86 2.35 -2.80 4.14 0.00 -1.26 -4.60 120.51 116.48 3hwd n ALA 40 Ca 0.04 -1.40 -0.36 0.00 0.00 0.00 0.00 53.44 51.73 3hwd n ALA 40 Cb 0.39 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 3hwd n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwd s ILE 41 N -1.40 4.98 0.00 0.00 1.09 -1.08 -5.11 121.20 119.69 3hwd s ILE 41 Ca 0.27 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.84 3hwd s ILE 41 Cb 0.17 -3.17 -0.00 0.00 -1.06 0.00 0.00 42.46 38.39 3hwd s ILE 41 CO 0.14 0.56 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.76 3hwd s LEU 42 N -0.55 2.05 -0.09 2.97 1.43 -1.26 -4.44 118.68 118.79 3hwd s LEU 42 Ca 0.11 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3hwd s LEU 42 Cb -0.12 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 3hwd s LEU 42 CO 0.02 -0.04 1.29 -0.13 0.23 0.00 0.00 176.35 177.72 3hwd s ARG 43 N -0.31 4.28 -0.57 1.70 0.52 -0.51 -4.99 118.95 119.07 3hwd s ARG 43 Ca -0.02 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 3hwd s ARG 43 Cb -0.02 -3.67 0.15 0.00 0.52 0.00 0.00 34.95 31.92 3hwd s ARG 43 CO -0.00 -0.60 0.35 -1.21 0.02 0.00 0.00 175.30 173.86 3hwd s GLU 44 N 2.87 2.28 0.45 3.54 2.02 -1.26 -4.97 118.70 123.63 3hwd s GLU 44 Ca 0.58 -2.56 0.11 0.00 0.02 0.00 0.00 54.97 53.13 3hwd s GLU 44 Cb -0.25 -3.54 1.01 0.00 0.10 0.00 0.00 34.13 31.45 3hwd s GLU 44 CO 0.20 -1.14 2.06 -0.44 0.02 0.00 0.00 175.26 175.97 3hwd h ASP 45 N 6.81 0.22 -0.42 -0.19 5.19 -1.99 -2.28 116.42 123.76 3hwd h ASP 45 Ca -0.04 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.21 3hwd h ASP 45 Cb 0.93 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 3hwd h ASP 45 CO 0.70 0.21 -0.27 0.11 -3.12 0.00 0.00 179.24 176.87 3hwd h LYS 46 N 0.25 0.93 -2.48 3.56 1.57 -2.04 -3.37 116.57 114.99 3hwd h LYS 46 Ca 0.06 -0.43 -0.59 0.00 -1.87 0.00 0.00 60.65 57.82 3hwd h LYS 46 Cb 0.06 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 31.96 3hwd h LYS 46 CO -0.01 1.09 -0.85 -0.40 -0.57 0.00 0.00 179.45 178.71 3hwd n ASP 47 N -4.13 1.02 -4.60 0.86 5.75 -1.03 -5.12 116.55 109.29 3hwd n ASP 47 Ca -0.01 -2.77 -0.41 0.00 -0.01 0.00 0.00 54.79 51.59 3hwd n ASP 47 Cb 0.48 -0.63 0.01 0.00 -1.03 0.00 0.00 41.12 39.95 3hwd n ASP 47 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3hwd n PRO 48 N 2.15 1.28 -2.01 0.11 -0.02 -0.89 -4.78 135.00 130.84 3hwd n PRO 48 Ca 0.26 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3hwd n PRO 48 Cb 0.45 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3hwd n PRO 48 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hwd s GLN 49 N -2.06 4.24 0.38 -0.52 2.00 -1.26 -4.93 119.66 117.51 3hwd s GLN 49 Ca 0.64 2.26 -0.22 0.00 -2.00 0.00 0.00 55.36 56.04 3hwd s GLN 49 Cb -0.54 -3.33 -0.10 0.00 0.80 0.00 0.00 33.01 29.83 3hwd s GLN 49 CO 0.56 -0.60 0.93 -1.59 -0.50 0.00 0.00 175.29 174.09 3hwd s LYS 50 N 1.64 4.34 0.24 1.67 -2.85 -1.26 -1.68 119.74 121.83 3hwd s LYS 50 Ca 0.69 1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 56.52 3hwd s LYS 50 Cb -0.40 -2.42 -0.09 0.00 -2.06 0.00 0.00 37.83 32.86 3hwd s LYS 50 CO 0.31 0.09 1.31 1.41 0.10 0.00 0.00 175.35 178.58 3hwd s MET 51 N -2.76 4.38 0.25 1.78 1.75 -0.05 -4.73 119.30 119.93 3hwd s MET 51 Ca 0.57 2.11 0.08 0.00 -1.25 0.00 0.00 55.69 57.19 3hwd s MET 51 Cb -0.12 -3.16 -0.05 0.00 2.84 0.00 0.00 34.83 34.34 3hwd s MET 51 CO 0.17 -0.23 -0.10 1.52 -0.65 0.00 0.00 175.02 175.73 3hwd s TYR 52 N -0.25 1.91 0.18 4.11 1.13 -1.26 -4.71 117.35 118.46 3hwd s TYR 52 Ca 0.55 -0.62 0.10 0.00 -1.41 0.00 0.00 57.07 55.69 3hwd s TYR 52 Cb -0.38 -1.00 -0.04 0.00 -1.10 0.00 0.00 41.96 39.44 3hwd s TYR 52 CO 0.42 0.35 -0.20 0.00 -2.51 0.00 0.00 175.55 173.62 3hwd s ALA 53 N -2.94 2.64 -0.08 9.51 0.00 -0.75 -1.42 121.76 128.72 3hwd s ALA 53 Ca 0.27 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3hwd s ALA 53 Cb 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3hwd s ALA 53 CO 0.10 0.46 -0.06 0.99 0.00 0.00 0.00 175.76 177.26 3hwd s THR 54 N -1.58 0.82 -0.25 0.00 2.01 0.18 -0.54 115.64 116.27 3hwd s THR 54 Ca 0.21 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 3hwd s THR 54 Cb -0.09 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3hwd s THR 54 CO 0.11 0.32 0.11 -0.63 -0.69 0.00 0.00 174.62 173.83 3hwd s ILE 55 N 1.43 4.68 -0.18 1.82 1.09 0.12 -0.80 121.20 129.37 3hwd s ILE 55 Ca -0.01 -0.05 -0.08 0.00 -1.10 0.00 0.00 60.65 59.40 3hwd s ILE 55 Cb -0.13 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 38.03 3hwd s ILE 55 CO -0.04 0.33 0.11 -0.31 -0.10 0.00 0.00 174.94 174.92 3hwd s TYR 56 N 1.51 3.38 -0.08 3.97 2.02 -0.16 -1.36 117.35 126.63 3hwd s TYR 56 Ca 0.06 0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 57.02 3hwd s TYR 56 Cb -0.15 -2.09 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 3hwd s TYR 56 CO 0.06 0.33 0.06 -1.21 -1.57 0.00 0.00 175.55 173.21 3hwd s GLU 57 N 0.09 0.06 0.04 -0.62 8.01 -1.07 0.88 118.70 126.09 3hwd s GLU 57 Ca 0.08 0.23 -0.31 0.00 0.01 0.00 0.00 54.97 54.98 3hwd s GLU 57 Cb -0.12 -0.89 -0.07 0.00 -4.31 0.00 0.00 34.13 28.75 3hwd s GLU 57 CO -0.00 -0.41 1.49 -0.51 0.01 0.00 0.00 175.26 175.84 3hwd s LEU 58 N 2.13 4.34 0.74 1.80 1.43 -1.26 -1.46 118.68 126.40 3hwd s LEU 58 Ca 0.04 2.28 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 3hwd s LEU 58 Cb -0.13 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.62 3hwd s LEU 58 CO -0.05 -0.77 1.04 -0.54 0.23 0.00 0.00 176.35 176.26 3hwd s LYS 59 N 2.25 1.82 0.25 1.70 1.02 0.19 -4.96 119.74 122.01 3hwd s LYS 59 Ca 0.67 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 56.05 3hwd s LYS 59 Cb -0.35 -2.19 0.28 0.00 -0.52 0.00 0.00 37.83 35.04 3hwd s LYS 59 CO 0.29 -1.45 1.82 1.05 -0.92 0.00 0.00 175.35 176.14 3hwd h GLU 60 N -0.69 1.07 -0.03 1.68 4.11 -1.96 -2.23 114.58 116.52 3hwd h GLU 60 Ca -0.42 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.83 3hwd h GLU 60 Cb 1.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hwd h GLU 60 CO 0.50 0.87 0.00 -0.40 0.07 0.00 0.00 179.01 180.05 3hwd n ASP 61 N -4.29 0.03 -0.44 3.06 5.75 -1.26 -4.87 116.55 114.54 3hwd n ASP 61 Ca 0.06 -1.81 -0.06 0.00 -0.01 0.00 0.00 54.79 52.97 3hwd n ASP 61 Cb 0.18 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 3hwd n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hwd n LYS 62 N -0.48 -0.61 -3.36 0.11 4.76 -0.84 -5.00 118.16 112.74 3hwd n LYS 62 Ca 0.00 0.61 -0.19 0.00 -2.87 0.00 0.00 58.31 55.86 3hwd n LYS 62 Cb 0.01 -4.37 -0.00 0.00 -1.84 0.00 0.00 35.03 28.83 3hwd n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hwd s SER 63 N -2.66 5.91 -0.13 4.39 1.04 -1.26 -4.55 113.70 116.44 3hwd s SER 63 Ca 0.00 -0.17 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 3hwd s SER 63 Cb 0.00 -1.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.89 3hwd s SER 63 CO 0.00 -0.50 0.07 -0.31 0.98 0.00 0.00 173.24 173.48 3hwd s TYR 64 N -2.24 3.35 -0.54 5.02 1.51 -0.39 -0.64 117.35 123.43 3hwd s TYR 64 Ca 0.47 0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 56.56 3hwd s TYR 64 Cb -0.10 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.85 3hwd s TYR 64 CO 0.32 0.46 0.94 -0.80 -1.11 0.00 0.00 175.55 175.35 3hwd s ASN 65 N -0.49 6.36 -0.38 2.29 0.01 -0.53 -1.76 114.94 120.44 3hwd s ASN 65 Ca 0.10 -0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 51.84 3hwd s ASN 65 Cb -0.12 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.12 3hwd s ASN 65 CO 0.02 -1.20 0.25 -0.69 -1.51 0.00 0.00 177.10 173.97 3hwd s VAL 66 N 3.90 4.93 -0.26 1.60 1.01 0.11 -2.60 120.40 129.09 3hwd s VAL 66 Ca 0.31 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3hwd s VAL 66 Cb -0.12 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hwd s VAL 66 CO 0.20 -0.23 0.00 -0.89 0.00 0.00 0.00 175.10 174.18 3hwd s THR 67 N 1.62 3.43 -0.09 3.92 2.01 -0.47 0.36 115.64 126.43 3hwd s THR 67 Ca 0.04 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 3hwd s THR 67 Cb -0.19 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 3hwd s THR 67 CO 0.08 0.18 0.26 -0.44 -0.69 0.00 0.00 174.62 174.02 3hwd s SER 68 N 1.42 6.54 -0.14 3.53 0.01 0.04 0.15 113.70 125.26 3hwd s SER 68 Ca 0.02 0.65 -0.00 0.00 1.31 0.00 0.00 55.95 57.93 3hwd s SER 68 Cb -0.16 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 63.94 3hwd s SER 68 CO -0.01 0.31 -0.10 -0.69 0.41 0.00 0.00 173.24 173.16 3hwd s VAL 69 N -0.73 1.28 0.16 3.43 1.01 0.30 -0.71 120.40 125.13 3hwd s VAL 69 Ca 0.18 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.73 3hwd s VAL 69 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3hwd s VAL 69 CO 0.07 0.36 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 3hwd s LEU 70 N 1.60 2.47 -0.51 3.92 1.02 -0.67 -1.81 118.68 124.70 3hwd s LEU 70 Ca 0.04 -0.91 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 3hwd s LEU 70 Cb -0.13 -0.62 0.11 0.00 0.02 0.00 0.00 46.19 45.57 3hwd s LEU 70 CO -0.09 -0.15 0.44 0.12 0.02 0.00 0.00 176.35 176.69 3hwd s PHE 71 N -2.50 3.27 -0.04 0.29 5.99 -1.26 -0.97 117.98 122.76 3hwd s PHE 71 Ca 0.15 -1.28 0.04 0.00 0.00 0.00 0.00 56.93 55.84 3hwd s PHE 71 Cb -0.03 -3.57 -0.00 0.00 0.00 0.00 0.00 43.02 39.42 3hwd s PHE 71 CO 0.05 -0.95 -0.16 1.03 -0.00 0.00 0.00 175.22 175.18 3hwd s ARG 72 N 1.57 1.73 -1.35 10.12 0.52 -0.47 -4.86 118.95 126.22 3hwd s ARG 72 Ca 0.04 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 3hwd s ARG 72 Cb -0.28 -1.50 0.01 0.00 0.52 0.00 0.00 34.95 33.70 3hwd s ARG 72 CO 0.03 0.22 0.64 1.63 0.02 0.00 0.00 175.30 177.85 3hwd n LYS 73 N 3.19 -4.50 -1.27 3.54 5.02 -1.26 -1.23 118.16 121.65 3hwd n LYS 73 Ca -0.18 0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 56.57 3hwd n LYS 73 Cb 0.53 -5.02 -0.04 0.00 -0.02 0.00 0.00 35.03 30.48 3hwd n LYS 73 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hwd n LYS 74 N -4.33 -1.60 -4.20 1.97 -0.00 -1.26 -4.95 118.16 103.78 3hwd n LYS 74 Ca -0.28 0.81 -0.13 0.00 -0.00 0.00 0.00 58.31 58.71 3hwd n LYS 74 Cb 0.67 -5.15 -0.10 0.00 -0.00 0.00 0.00 35.03 30.44 3hwd n LYS 74 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3hwd s LYS 75 N -2.70 0.93 -0.36 -1.58 1.02 -0.37 -5.13 119.74 111.55 3hwd s LYS 75 Ca 0.00 -1.32 -0.17 0.00 0.02 0.00 0.00 55.97 54.49 3hwd s LYS 75 Cb 0.00 -0.47 -0.00 0.00 -0.52 0.00 0.00 37.83 36.84 3hwd s LYS 75 CO 0.00 0.05 0.48 0.00 -0.92 0.00 0.00 175.35 174.96 3hwd s ASP 77 N 1.77 6.71 -0.12 0.00 1.11 -0.15 -4.97 116.67 121.03 3hwd s ASP 77 Ca 0.17 0.85 0.02 0.00 0.18 0.00 0.00 52.55 53.77 3hwd s ASP 77 Cb -0.16 -2.24 0.01 0.00 1.07 0.00 0.00 42.92 41.60 3hwd s ASP 77 CO 0.13 0.23 -0.20 -0.31 1.18 0.00 0.00 175.17 176.20 3hwd s TYR 78 N -0.48 2.42 -0.31 4.23 2.02 -1.26 -1.67 117.35 122.30 3hwd s TYR 78 Ca 0.23 -1.16 -0.00 0.00 -0.37 0.00 0.00 57.07 55.77 3hwd s TYR 78 Cb -0.16 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 39.80 3hwd s TYR 78 CO 0.11 -0.54 -0.00 -1.58 -1.57 0.00 0.00 175.55 171.97 3hwd s TRP 79 N 0.79 3.36 -0.26 2.71 0.52 0.11 -4.99 118.94 121.17 3hwd s TRP 79 Ca -0.09 -2.17 -0.13 0.00 0.02 0.00 0.00 56.10 53.73 3hwd s TRP 79 Cb -0.16 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.84 3hwd s TRP 79 CO -0.00 -0.86 0.26 0.42 0.02 0.00 0.00 176.95 176.79 3hwd s ILE 80 N 1.16 5.26 0.31 2.03 1.01 -1.26 -0.78 121.20 128.94 3hwd s ILE 80 Ca -0.03 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.01 3hwd s ILE 80 Cb -0.20 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 3hwd s ILE 80 CO -0.03 0.24 0.04 -0.13 0.00 0.00 0.00 174.94 175.06 3hwd s ARG 81 N 1.69 1.61 -0.12 2.79 1.81 0.16 -4.99 118.95 121.90 3hwd s ARG 81 Ca 0.11 -1.88 0.01 0.00 -1.72 0.00 0.00 55.73 52.25 3hwd s ARG 81 Cb -0.15 -0.88 0.02 0.00 -0.45 0.00 0.00 34.95 33.49 3hwd s ARG 81 CO 0.09 -0.16 -0.15 0.99 -0.68 0.00 0.00 175.30 175.39 3hwd s THR 82 N -3.28 1.55 -0.34 0.02 2.01 -1.26 0.09 115.64 114.43 3hwd s THR 82 Ca 0.35 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 3hwd s THR 82 Cb 0.08 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.17 3hwd s THR 82 CO 0.15 0.45 0.19 -0.36 -0.69 0.00 0.00 174.62 174.36 3hwd s PHE 83 N 1.15 3.21 -0.03 4.92 2.99 -0.72 0.18 117.98 129.68 3hwd s PHE 83 Ca -0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 56.93 56.12 3hwd s PHE 83 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 43.02 40.42 3hwd s PHE 83 CO -0.05 -0.49 0.50 0.08 -0.00 0.00 0.00 175.22 175.26 3hwd s VAL 84 N 1.62 5.00 0.21 -0.44 1.01 0.67 -1.26 120.40 127.21 3hwd s VAL 84 Ca 0.04 1.02 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 3hwd s VAL 84 Cb -0.18 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 3hwd s VAL 84 CO 0.07 0.46 1.26 -2.65 0.00 0.00 0.00 175.10 174.25 3hwd n PRO 85 N 2.57 1.58 0.00 2.72 -0.02 -1.26 -0.51 135.00 140.07 3hwd n PRO 85 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3hwd n PRO 85 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hwd n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwd n GLY 86 N 2.00 1.40 0.20 -1.23 0.00 0.13 -4.65 105.19 103.05 3hwd n GLY 86 Ca 0.13 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 3hwd n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hwd h SER 87 N 0.00 0.40 -4.05 1.61 0.02 -1.95 -3.44 113.55 106.14 3hwd h SER 87 Ca 0.00 -0.19 -0.55 0.00 -0.84 0.00 0.00 61.79 60.21 3hwd h SER 87 Cb 0.00 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 62.22 3hwd h SER 87 CO 0.00 0.81 -0.82 -1.10 -1.14 0.00 0.00 176.83 174.58 3hwd s GLN 88 N -4.08 1.16 0.19 3.45 -1.52 -1.26 -5.08 119.66 112.51 3hwd s GLN 88 Ca -0.06 -1.21 -0.33 0.00 -1.95 0.00 0.00 55.36 51.81 3hwd s GLN 88 Cb 0.13 -1.38 -0.13 0.00 -0.22 0.00 0.00 33.01 31.40 3hwd s GLN 88 CO 0.80 0.31 1.60 -2.30 -0.25 0.00 0.00 175.29 175.45 3hwd n PRO 89 N 0.92 2.33 0.00 2.91 -0.02 -1.26 -1.23 135.00 138.66 3hwd n PRO 89 Ca -0.18 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3hwd n PRO 89 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hwd n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwd n GLY 90 N 3.36 1.38 3.78 -1.23 0.00 -1.26 -4.64 105.19 106.59 3hwd n GLY 90 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 3.16 0.03 1.61 2.02 -0.36 -0.76 118.70 123.41 3hwd s GLU 91 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3hwd s GLU 91 Cb 0.00 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 3hwd s GLU 91 CO 0.00 0.70 -0.03 -0.06 0.02 0.00 0.00 175.26 175.89 3hwd s PHE 92 N -1.07 0.32 0.27 1.61 0.40 0.08 0.21 117.98 119.80 3hwd s PHE 92 Ca 0.18 -0.60 0.09 0.00 -0.60 0.00 0.00 56.93 56.00 3hwd s PHE 92 Cb -0.12 -0.23 -0.04 0.00 0.51 0.00 0.00 43.02 43.14 3hwd s PHE 92 CO 0.08 -0.21 0.04 0.95 0.70 0.00 0.00 175.22 176.78 3hwd s THR 93 N -1.80 3.63 -0.15 0.64 -4.23 0.33 -0.51 115.64 113.54 3hwd s THR 93 Ca -0.12 -1.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.29 3hwd s THR 93 Cb -0.07 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 3hwd s THR 93 CO -0.02 -0.37 0.97 -0.22 -0.54 0.00 0.00 174.62 174.45 3hwd s LEU 94 N -3.71 4.20 0.36 4.79 2.96 -1.25 -0.24 118.68 125.78 3hwd s LEU 94 Ca 0.32 1.41 -0.26 0.00 -0.22 0.00 0.00 54.13 55.38 3hwd s LEU 94 Cb -0.07 -3.48 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 3hwd s LEU 94 CO 0.21 -0.49 1.11 -0.83 -1.32 0.00 0.00 176.35 175.03 3hwd s GLY 95 N 1.13 2.89 -1.23 7.98 0.00 0.13 -3.85 107.32 114.37 3hwd s GLY 95 Ca 0.45 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 46.03 3hwd s GLY 95 CO 0.14 1.38 0.91 -2.01 0.00 0.00 0.00 173.10 173.51 3hwd n ASN 96 N 0.38 -1.91 0.22 1.64 4.05 -1.26 -4.61 115.26 113.77 3hwd n ASN 96 Ca 0.03 -0.68 0.08 0.00 0.45 0.00 0.00 54.58 54.45 3hwd n ASN 96 Cb 0.47 -4.80 0.49 0.00 1.23 0.00 0.00 39.78 37.17 3hwd n ASN 96 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3hwd h ILE 97 N -1.87 0.82 0.00 -1.44 2.10 -1.95 -2.86 117.51 112.30 3hwd h ILE 97 Ca -0.60 -1.07 -0.03 0.00 1.08 0.00 0.00 64.86 64.25 3hwd h ILE 97 Cb 1.34 1.65 -0.00 0.00 -1.09 0.00 0.00 36.82 38.72 3hwd h ILE 97 CO 0.52 0.26 -0.15 0.11 -1.08 0.00 0.00 178.15 177.81 3hwd h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.91 -2.47 116.57 115.96 3hwd h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hwd h LYS 98 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3hwd h LYS 98 CO 0.03 0.15 0.00 -1.13 -0.57 0.00 0.00 179.45 177.93 3hwd n SER 99 N -3.68 0.00 -4.36 0.86 3.41 -1.08 -4.59 113.62 104.19 3hwd n SER 99 Ca -0.02 0.36 -0.41 0.00 -0.26 0.00 0.00 58.87 58.54 3hwd n SER 99 Cb 0.27 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3hwd n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hwd s TYR 100 N -2.89 3.27 0.11 7.33 1.51 -0.93 -5.06 117.35 120.68 3hwd s TYR 100 Ca 0.15 -1.08 -0.31 0.00 -1.01 0.00 0.00 57.07 54.82 3hwd s TYR 100 Cb 0.17 -2.65 -0.08 0.00 -0.11 0.00 0.00 41.96 39.29 3hwd s TYR 100 CO 0.45 -0.71 1.43 -1.25 -1.11 0.00 0.00 175.55 174.35 3hwd s PRO 101 N 1.54 4.30 0.00 -1.71 0.04 -1.26 -2.55 135.00 135.35 3hwd s PRO 101 Ca 0.02 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3hwd s PRO 101 Cb -0.21 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3hwd s PRO 101 CO 0.06 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3hwd n GLY 102 N 3.56 3.05 3.59 0.56 0.00 -1.26 -4.94 105.19 109.75 3hwd n GLY 102 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.51 -0.02 0.99 2.96 -1.06 -2.02 118.68 123.04 3hwd s LEU 103 Ca 0.00 0.28 0.20 0.00 -0.22 0.00 0.00 54.13 54.39 3hwd s LEU 103 Cb 0.00 -3.31 -0.29 0.00 0.50 0.00 0.00 46.19 43.10 3hwd s LEU 103 CO 0.00 -1.43 0.56 0.35 -1.32 0.00 0.00 176.35 174.52 3hwd n THR 104 N 6.77 0.00 -3.74 3.68 -2.24 -0.73 -4.81 114.28 113.23 3hwd n THR 104 Ca 0.10 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3hwd n THR 104 Cb 0.49 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 3hwd n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwd s SER 105 N -3.90 -0.20 -0.29 3.42 0.15 -1.17 -4.96 113.70 106.74 3hwd s SER 105 Ca -0.03 0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.50 3hwd s SER 105 Cb 0.14 0.35 0.12 0.00 -1.71 0.00 0.00 66.02 64.91 3hwd s SER 105 CO 0.83 -0.54 0.72 -0.47 1.20 0.00 0.00 173.24 174.98 3hwd s TYR 106 N -1.89 -1.13 -0.04 3.44 6.14 -1.26 -2.37 117.35 120.25 3hwd s TYR 106 Ca -0.09 2.07 0.02 0.00 0.64 0.00 0.00 57.07 59.71 3hwd s TYR 106 Cb -0.03 0.68 0.01 0.00 0.42 0.00 0.00 41.96 43.03 3hwd s TYR 106 CO 0.01 -0.56 -0.09 -1.17 0.64 0.00 0.00 175.55 174.38 3hwd s LEU 107 N 2.27 1.70 -0.05 6.97 2.96 0.25 -3.95 118.68 128.83 3hwd s LEU 107 Ca -0.07 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3hwd s LEU 107 Cb -0.08 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3hwd s LEU 107 CO -0.19 0.05 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.97 3hwd s VAL 108 N 0.36 2.27 -0.09 1.68 1.01 0.33 -0.91 120.40 125.05 3hwd s VAL 108 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3hwd s VAL 108 Cb -0.11 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hwd s VAL 108 CO 0.01 0.57 0.09 -0.60 0.00 0.00 0.00 175.10 175.18 3hwd s ARG 109 N -0.35 -0.01 -0.37 2.72 3.52 0.00 -0.74 118.95 123.72 3hwd s ARG 109 Ca 0.02 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 3hwd s ARG 109 Cb -0.12 -0.85 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 3hwd s ARG 109 CO 0.02 -0.43 1.51 0.08 -0.81 0.00 0.00 175.30 175.67 3hwd s VAL 110 N 2.19 3.80 -0.07 7.11 1.01 0.06 -0.14 120.40 134.36 3hwd s VAL 110 Ca 0.04 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 3hwd s VAL 110 Cb -0.13 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 3hwd s VAL 110 CO -0.05 -0.63 0.57 0.58 0.00 0.00 0.00 175.10 175.57 3hwd h VAL 111 N 6.50 0.56 -2.62 2.92 2.07 -0.51 -0.88 116.25 124.29 3hwd h VAL 111 Ca -0.29 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 3hwd h VAL 111 Cb 1.12 0.99 -0.22 0.00 -1.52 0.00 0.00 31.29 31.67 3hwd h VAL 111 CO 1.06 0.16 -0.14 -0.94 0.02 0.00 0.00 177.57 177.74 3hwd s SER 112 N -5.47 -0.44 -0.04 0.57 1.04 -1.09 -1.24 113.70 107.03 3hwd s SER 112 Ca -0.09 0.68 -0.31 0.00 0.48 0.00 0.00 55.95 56.72 3hwd s SER 112 Cb -0.00 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.91 3hwd s SER 112 CO 0.32 -0.31 0.68 0.28 0.98 0.00 0.00 173.24 175.19 3hwd s THR 113 N -0.41 0.00 -1.30 2.02 -1.32 -1.26 0.21 115.64 113.59 3hwd s THR 113 Ca -0.05 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.56 3hwd s THR 113 Cb -0.03 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.24 3hwd s THR 113 CO 0.03 0.00 1.19 -0.46 -2.21 0.00 0.00 174.62 173.17 3hwd n ASN 114 N 0.83 2.80 0.00 8.08 6.94 -1.06 -5.02 115.26 127.83 3hwd n ASN 114 Ca -0.19 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 3hwd n ASN 114 Cb 0.57 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3hwd n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3hwd n TYR 115 N 0.73 0.00 0.42 -2.53 4.01 -1.25 -4.49 117.16 114.05 3hwd n TYR 115 Ca 0.12 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 3hwd n TYR 115 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 3hwd n TYR 115 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hwd n ASN 116 N 1.34 0.52 0.08 7.72 5.03 -1.26 -4.80 115.26 123.88 3hwd n ASN 116 Ca 0.00 -0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.24 3hwd n ASN 116 Cb 0.00 1.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.90 3hwd n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hwd n GLN 117 N -2.05 0.00 -4.14 3.52 6.02 -1.26 -4.76 117.38 114.71 3hwd n GLN 117 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.90 3hwd n GLN 117 Cb 0.47 -0.35 -0.10 0.00 1.02 0.00 0.00 30.24 31.28 3hwd n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3hwd s HIS 118 N -2.00 0.82 -0.01 1.08 -3.43 -1.26 0.19 115.29 110.67 3hwd s HIS 118 Ca 0.00 -1.20 -0.25 0.00 -0.80 0.00 0.00 55.06 52.81 3hwd s HIS 118 Cb 0.00 -0.45 0.06 0.00 -1.43 0.00 0.00 32.58 30.75 3hwd s HIS 118 CO 0.00 -0.52 0.56 0.00 -2.00 0.00 0.00 174.74 172.78 3hwd s ALA 119 N -4.04 -1.46 -0.13 -1.38 0.00 -0.50 -2.57 121.76 111.68 3hwd s ALA 119 Ca 0.23 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3hwd s ALA 119 Cb 0.07 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3hwd s ALA 119 CO 0.01 -0.39 -0.13 -1.64 0.00 0.00 0.00 175.76 173.61 3hwd s MET 120 N -1.61 2.06 -0.07 0.00 -1.94 0.13 0.09 119.30 117.97 3hwd s MET 120 Ca -0.10 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.46 3hwd s MET 120 Cb -0.01 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.92 3hwd s MET 120 CO 0.05 -0.21 -0.21 0.08 -0.01 0.00 0.00 175.02 174.72 3hwd s VAL 121 N 1.44 1.81 -0.12 -6.03 1.01 -0.91 0.09 120.40 117.69 3hwd s VAL 121 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3hwd s VAL 121 Cb -0.13 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3hwd s VAL 121 CO -0.08 0.51 0.15 0.12 0.00 0.00 0.00 175.10 175.80 3hwd s PHE 122 N 0.16 3.59 -0.03 5.22 2.19 0.81 -1.40 117.98 128.52 3hwd s PHE 122 Ca -0.11 0.54 0.05 0.00 0.33 0.00 0.00 56.93 57.74 3hwd s PHE 122 Cb -0.15 -1.98 -0.01 0.00 -1.31 0.00 0.00 43.02 39.57 3hwd s PHE 122 CO 0.05 0.69 -0.18 -0.06 1.83 0.00 0.00 175.22 177.56 3hwd s PHE 123 N -0.90 1.66 -0.02 10.12 0.08 0.66 -0.82 117.98 128.76 3hwd s PHE 123 Ca 0.15 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3hwd s PHE 123 Cb -0.12 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3hwd s PHE 123 CO 0.04 -0.09 -0.02 0.21 -0.10 0.00 0.00 175.22 175.26 3hwd s LYS 124 N -0.20 0.30 -0.15 0.44 2.20 -0.09 -0.80 119.74 121.44 3hwd s LYS 124 Ca 0.02 -0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.52 3hwd s LYS 124 Cb -0.09 -0.38 0.05 0.00 -1.51 0.00 0.00 37.83 35.90 3hwd s LYS 124 CO 0.01 -0.04 0.37 0.00 -0.36 0.00 0.00 175.35 175.33 3hwd s ALA 125 N 0.50 -0.92 -0.39 3.13 0.00 0.22 0.84 121.76 125.15 3hwd s ALA 125 Ca -0.05 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 3hwd s ALA 125 Cb -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3hwd s ALA 125 CO -0.01 -0.23 0.29 0.08 0.00 0.00 0.00 175.76 175.89 3hwd s VAL 126 N 1.05 5.26 -0.13 0.00 1.01 -1.00 -0.09 120.40 126.49 3hwd s VAL 126 Ca -0.07 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3hwd s VAL 126 Cb -0.07 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3hwd s VAL 126 CO -0.08 -0.22 -0.15 -0.55 0.00 0.00 0.00 175.10 174.10 3hwd s SER 127 N 1.70 2.63 -1.38 3.32 0.15 -0.77 -1.77 113.70 117.57 3hwd s SER 127 Ca 0.06 -0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 3hwd s SER 127 Cb -0.18 -1.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.99 3hwd s SER 127 CO 0.10 -0.02 0.95 0.00 1.20 0.00 0.00 173.24 175.48 3hwd n GLN 128 N 4.52 -6.07 -1.74 5.44 6.02 -0.86 -1.98 117.38 122.71 3hwd n GLN 128 Ca -0.18 0.69 -0.18 0.00 -0.01 0.00 0.00 57.00 57.32 3hwd n GLN 128 Cb 0.51 -5.54 -0.06 0.00 1.02 0.00 0.00 30.24 26.16 3hwd n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hwd n ASN 129 N -2.98 -4.80 -4.23 1.08 4.13 -1.26 -4.97 115.26 102.23 3hwd n ASN 129 Ca -0.11 0.34 -0.34 0.00 1.68 0.00 0.00 54.58 56.15 3hwd n ASN 129 Cb 0.60 -4.23 -0.15 0.00 -1.54 0.00 0.00 39.78 34.46 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 -3.90 3.20 -0.64 3.52 0.52 -0.84 -5.08 118.95 115.74 3hwd s ARG 130 Ca 0.00 -0.72 -0.26 0.00 -0.52 0.00 0.00 55.73 54.23 3hwd s ARG 130 Cb 0.00 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.67 3hwd s ARG 130 CO 0.00 -0.21 1.13 -2.00 0.02 0.00 0.00 175.30 174.24 3hwd s GLU 131 N 1.40 3.31 0.16 3.54 2.12 -1.26 -1.85 118.70 126.11 3hwd s GLU 131 Ca 0.05 -0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.14 3hwd s GLU 131 Cb -0.14 -4.11 -0.06 0.00 0.26 0.00 0.00 34.13 30.08 3hwd s GLU 131 CO -0.07 -1.81 0.41 0.71 -0.54 0.00 0.00 175.26 173.96 3hwd s TYR 132 N 4.85 3.47 -0.03 5.30 1.51 0.87 -4.60 117.35 128.72 3hwd s TYR 132 Ca 0.34 0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 56.89 3hwd s TYR 132 Cb -0.10 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 3hwd s TYR 132 CO 0.18 0.41 0.28 -0.59 -1.11 0.00 0.00 175.55 174.72 3hwd s PHE 133 N -1.68 -0.16 0.10 2.71 -0.71 -1.26 -0.61 117.98 116.37 3hwd s PHE 133 Ca 0.42 0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 56.52 3hwd s PHE 133 Cb -0.12 0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 3hwd s PHE 133 CO 0.24 -0.34 0.16 0.00 -1.34 0.00 0.00 175.22 173.94 3hwd s ALA 134 N -1.12 0.05 -0.04 1.99 0.00 0.02 -1.94 121.76 120.73 3hwd s ALA 134 Ca -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3hwd s ALA 134 Cb -0.05 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3hwd s ALA 134 CO 0.03 -0.51 -0.08 0.42 0.00 0.00 0.00 175.76 175.62 3hwd s ILE 135 N -3.91 0.74 -0.10 0.00 1.01 0.29 -0.24 121.20 118.98 3hwd s ILE 135 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.49 3hwd s ILE 135 Cb 0.05 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 3hwd s ILE 135 CO -0.07 0.26 -0.16 0.28 0.00 0.00 0.00 174.94 175.25 3hwd s THR 136 N 0.64 2.83 -0.64 2.92 -1.32 -0.49 -0.94 115.64 118.62 3hwd s THR 136 Ca -0.10 -0.76 -0.19 0.00 -1.21 0.00 0.00 61.69 59.43 3hwd s THR 136 Cb -0.13 -2.14 0.11 0.00 -1.51 0.00 0.00 72.50 68.83 3hwd s THR 136 CO 0.01 0.55 0.76 -0.22 -2.21 0.00 0.00 174.62 173.51 3hwd s LEU 137 N 0.04 5.45 0.24 9.08 0.20 0.15 -2.13 118.68 131.70 3hwd s LEU 137 Ca -0.06 -1.58 -0.30 0.00 0.69 0.00 0.00 54.13 52.88 3hwd s LEU 137 Cb -0.15 -2.31 -0.09 0.00 -0.43 0.00 0.00 46.19 43.22 3hwd s LEU 137 CO 0.05 -1.08 0.94 -0.31 -0.29 0.00 0.00 176.35 175.66 3hwd s TYR 138 N 2.52 3.98 -0.01 5.38 2.02 0.11 -1.59 117.35 129.76 3hwd s TYR 138 Ca 0.14 1.91 0.05 0.00 -0.37 0.00 0.00 57.07 58.80 3hwd s TYR 138 Cb -0.21 -2.98 -0.01 0.00 -0.40 0.00 0.00 41.96 38.36 3hwd s TYR 138 CO 0.04 0.45 -0.16 0.20 -1.57 0.00 0.00 175.55 174.51 3hwd s GLY 139 N -1.19 0.77 0.21 0.71 0.00 0.19 -1.41 107.32 106.59 3hwd s GLY 139 Ca 0.41 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.50 3hwd s GLY 139 CO 0.32 -0.54 1.49 -0.09 0.00 0.00 0.00 173.10 174.28 3hwd h ARG 140 N 5.79 0.20 -5.95 2.90 9.65 -0.55 0.58 114.38 127.01 3hwd h ARG 140 Ca -0.35 -0.17 -0.56 0.00 -1.10 0.00 0.00 59.98 57.79 3hwd h ARG 140 Cb 1.16 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.72 3hwd h ARG 140 CO 0.49 0.83 -0.37 0.95 2.80 0.00 0.00 179.97 184.67 3hwd s THR 141 N -3.52 2.00 -0.01 0.20 -4.23 -1.26 -4.72 115.64 104.10 3hwd s THR 141 Ca -0.03 -1.52 0.27 0.00 -1.18 0.00 0.00 61.69 59.23 3hwd s THR 141 Cb 0.11 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.74 3hwd s THR 141 CO 0.81 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.82 3hwd h LYS 142 N 0.98 0.00 -6.46 3.99 1.57 -1.95 -3.43 116.57 111.26 3hwd h LYS 142 Ca -0.39 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.72 3hwd h LYS 142 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.43 3hwd h LYS 142 CO 0.61 0.11 -0.73 -1.21 -0.57 0.00 0.00 179.45 177.65 3hwd s GLU 143 N -3.53 2.28 0.09 3.15 2.02 -1.26 -4.88 118.70 116.57 3hwd s GLU 143 Ca 0.02 -0.91 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 3hwd s GLU 143 Cb 0.08 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 3hwd s GLU 143 CO 0.61 0.54 -0.01 -0.51 0.02 0.00 0.00 175.26 175.91 3hwd s LEU 144 N -1.86 2.29 0.82 1.80 1.43 -1.26 -4.92 118.68 116.98 3hwd s LEU 144 Ca 0.19 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 3hwd s LEU 144 Cb -0.11 0.15 0.08 0.00 0.03 0.00 0.00 46.19 46.34 3hwd s LEU 144 CO 0.11 -0.60 1.09 0.42 0.23 0.00 0.00 176.35 177.60 3hwd s THR 145 N -3.87 3.07 0.30 5.49 -4.23 -1.26 -4.87 115.64 110.27 3hwd s THR 145 Ca 0.13 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.01 3hwd s THR 145 Cb 0.07 -2.82 0.13 0.00 1.34 0.00 0.00 72.50 71.23 3hwd s THR 145 CO -0.05 -0.45 1.82 0.28 -0.54 0.00 0.00 174.62 175.67 3hwd h SER 146 N -1.29 0.60 -0.43 3.99 0.02 -2.01 -2.15 113.55 112.27 3hwd h SER 146 Ca -0.45 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 3hwd h SER 146 Cb 1.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3hwd h SER 146 CO 0.52 0.68 0.28 -0.33 -1.14 0.00 0.00 176.83 176.84 3hwd h GLU 147 N 0.60 0.55 -0.18 3.45 3.07 -1.98 0.20 114.58 120.28 3hwd h GLU 147 Ca 0.12 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 3hwd h GLU 147 Cb 0.40 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3hwd h GLU 147 CO 0.02 0.37 -0.54 -0.07 -1.40 0.00 0.00 179.01 177.39 3hwd h LEU 148 N 0.57 0.57 -0.17 1.33 3.38 -1.91 -1.60 115.31 117.48 3hwd h LEU 148 Ca 0.16 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hwd h LEU 148 Cb -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3hwd h LEU 148 CO -0.04 1.00 0.02 0.50 0.09 0.00 0.00 178.44 180.01 3hwd h LYS 149 N 0.40 0.29 0.00 1.13 3.64 -1.12 -1.32 116.57 119.60 3hwd h LYS 149 Ca 0.01 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3hwd h LYS 149 Cb 1.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3hwd h LYS 149 CO 0.10 0.47 -0.30 0.93 -2.27 0.00 0.00 179.45 178.38 3hwd h GLU 150 N 0.07 0.00 -0.23 1.90 4.39 -0.61 -1.49 114.58 118.61 3hwd h GLU 150 Ca 0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3hwd h GLU 150 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3hwd h GLU 150 CO 0.00 0.30 -0.48 -0.97 -1.16 0.00 0.00 179.01 176.70 3hwd h ASN 151 N 0.00 0.65 -0.44 1.42 -0.73 -1.14 -0.84 115.58 114.51 3hwd h ASN 151 Ca -0.00 -0.32 -0.06 0.00 1.87 0.00 0.00 56.30 57.78 3hwd h ASN 151 Cb 0.54 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 3hwd h ASN 151 CO 0.04 1.03 0.02 0.15 -0.37 0.00 0.00 177.43 178.30 3hwd h PHE 152 N 0.48 0.82 -0.71 0.67 3.04 -0.80 -1.35 116.94 119.09 3hwd h PHE 152 Ca 0.02 -0.13 -0.03 0.00 3.98 0.00 0.00 57.97 61.81 3hwd h PHE 152 Cb 1.01 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 3hwd h PHE 152 CO 0.04 0.80 0.33 0.82 -2.02 0.00 0.00 178.31 178.29 3hwd h ILE 153 N 0.60 1.24 -0.41 1.41 2.04 -1.22 -0.41 117.51 120.76 3hwd h ILE 153 Ca 0.13 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3hwd h ILE 153 Cb 0.46 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3hwd h ILE 153 CO 0.02 0.28 0.15 -0.09 0.00 0.00 0.00 178.15 178.51 3hwd h ARG 154 N 1.00 0.62 -0.45 2.37 2.43 -0.99 -1.68 114.38 117.68 3hwd h ARG 154 Ca 0.24 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3hwd h ARG 154 Cb 0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3hwd h ARG 154 CO -0.03 0.60 -0.16 0.35 -1.51 0.00 0.00 179.97 179.21 3hwd h PHE 155 N 0.51 1.03 -0.23 2.20 3.57 -1.13 -2.28 116.94 120.60 3hwd h PHE 155 Ca 0.13 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.44 3hwd h PHE 155 Cb 0.22 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3hwd h PHE 155 CO 0.00 1.02 -0.05 0.77 -2.23 0.00 0.00 178.31 177.83 3hwd h SER 156 N 0.74 -0.20 -1.00 0.41 0.02 -0.96 -1.98 113.55 110.59 3hwd h SER 156 Ca 0.11 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.22 3hwd h SER 156 Cb 0.72 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 3hwd h SER 156 CO 0.05 -0.07 0.64 0.11 -1.14 0.00 0.00 176.83 176.42 3hwd h LYS 157 N 0.01 1.03 0.00 3.45 6.56 -1.22 -2.00 116.57 124.39 3hwd h LYS 157 Ca 0.11 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3hwd h LYS 157 Cb 0.17 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 3hwd h LYS 157 CO -0.23 0.68 0.00 -1.13 -2.06 0.00 0.00 179.45 176.71 3hwd n SER 158 N -4.56 0.38 -1.48 0.86 3.41 -0.76 -0.83 113.62 110.65 3hwd n SER 158 Ca 0.17 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.49 3hwd n SER 158 Cb 0.29 -0.69 0.34 0.00 -0.26 0.00 0.00 64.21 63.89 3hwd n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hwd n LEU 159 N -1.94 4.51 0.00 1.04 4.77 -0.77 -4.96 117.00 119.65 3hwd n LEU 159 Ca 0.02 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 3hwd n LEU 159 Cb 0.16 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hwd n LEU 159 CO 0.14 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3hwd n GLY 160 N 1.14 0.60 3.65 -0.72 0.00 -0.01 -4.64 105.19 105.22 3hwd n GLY 160 Ca 0.25 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.12 1.05 0.99 1.43 -1.13 -5.00 118.68 120.14 3hwd s LEU 161 Ca 0.00 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 3hwd s LEU 161 Cb 0.00 -2.33 0.23 0.00 0.03 0.00 0.00 46.19 44.12 3hwd s LEU 161 CO 0.00 -0.04 1.23 -2.16 0.23 0.00 0.00 176.35 175.61 3hwd s PRO 162 N 1.37 -0.06 0.20 1.29 0.04 -1.26 -3.86 135.00 132.71 3hwd s PRO 162 Ca 0.14 -0.25 -0.11 0.00 0.04 0.00 0.00 61.00 60.81 3hwd s PRO 162 Cb -0.15 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.80 3hwd s PRO 162 CO 0.07 -2.91 1.83 1.05 0.04 0.00 0.00 177.00 177.09 3hwd h GLU 163 N -2.00 0.74 0.00 4.56 9.09 -1.98 -2.50 114.58 122.49 3hwd h GLU 163 Ca -0.45 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3hwd h GLU 163 Cb 1.26 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3hwd h GLU 163 CO 0.37 0.49 0.00 0.27 0.05 0.00 0.00 179.01 180.20 3hwd n ASN 164 N -4.72 0.00 -0.88 3.06 6.94 -1.26 -1.34 115.26 117.07 3hwd n ASN 164 Ca 0.06 0.46 0.11 0.00 -0.02 0.00 0.00 54.58 55.19 3hwd n ASN 164 Cb 0.08 -0.48 0.28 0.00 -2.36 0.00 0.00 39.78 37.30 3hwd n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hwd n HIS 165 N -1.48 0.40 -4.27 -2.53 8.25 -0.94 -1.43 115.22 113.21 3hwd n HIS 165 Ca 0.05 -0.20 -0.34 0.00 -0.26 0.00 0.00 57.72 56.97 3hwd n HIS 165 Cb 0.20 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.17 3hwd n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwd s ILE 166 N -1.60 3.16 0.10 1.59 1.01 -0.45 -2.69 121.20 122.32 3hwd s ILE 166 Ca 0.35 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3hwd s ILE 166 Cb 0.20 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3hwd s ILE 166 CO 0.28 0.48 -0.19 -0.69 0.00 0.00 0.00 174.94 174.82 3hwd s VAL 167 N 0.98 1.57 -0.40 2.92 1.01 0.11 -4.85 120.40 121.75 3hwd s VAL 167 Ca -0.01 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.48 3hwd s VAL 167 Cb -0.15 -1.46 0.12 0.00 0.00 0.00 0.00 36.38 34.89 3hwd s VAL 167 CO -0.01 -0.13 0.15 -0.36 0.00 0.00 0.00 175.10 174.76 3hwd s PHE 168 N -1.27 2.77 0.21 5.22 0.40 -1.26 -0.12 117.98 123.92 3hwd s PHE 168 Ca 0.05 -2.64 -0.32 0.00 -0.60 0.00 0.00 56.93 53.42 3hwd s PHE 168 Cb -0.10 -2.40 -0.14 0.00 0.51 0.00 0.00 43.02 40.89 3hwd s PHE 168 CO 0.04 -0.85 1.35 -2.30 0.70 0.00 0.00 175.22 174.17 3hwd n PRO 169 N 3.95 1.77 -2.40 0.24 -0.02 -1.26 -4.93 135.00 132.35 3hwd n PRO 169 Ca 0.04 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 3hwd n PRO 169 Cb 0.38 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3hwd n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hwd s VAL 170 N 0.02 3.79 0.48 -1.45 -7.23 -0.68 -4.53 120.40 110.80 3hwd s VAL 170 Ca 0.71 1.39 -0.24 0.00 -1.81 0.00 0.00 61.98 62.04 3hwd s VAL 170 Cb -0.72 -3.89 -0.08 0.00 0.56 0.00 0.00 36.38 32.25 3hwd s VAL 170 CO 0.49 0.17 1.26 -2.65 -0.31 0.00 0.00 175.10 174.06 3hwd n PRO 171 N 3.19 1.74 -4.09 4.82 -0.02 -1.26 -0.87 135.00 138.51 3hwd n PRO 171 Ca 0.07 0.63 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3hwd n PRO 171 Cb 0.45 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3hwd n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hwd s ILE 172 N -1.26 0.12 -0.04 4.25 -4.36 -1.26 -4.83 121.20 113.80 3hwd s ILE 172 Ca 0.66 -1.76 0.22 0.00 -0.26 0.00 0.00 60.65 59.51 3hwd s ILE 172 Cb -0.47 -1.89 -0.33 0.00 1.25 0.00 0.00 42.46 41.02 3hwd s ILE 172 CO 0.54 -0.52 0.48 0.47 0.24 0.00 0.00 174.94 176.15 3hwd n ASP 173 N -0.08 0.08 -4.64 4.36 10.43 -1.26 -4.84 116.55 120.60 3hwd n ASP 173 Ca -0.08 -0.02 -0.43 0.00 2.57 0.00 0.00 54.79 56.84 3hwd n ASP 173 Cb 0.63 1.97 -0.03 0.00 1.84 0.00 0.00 41.12 45.54 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 -3.49 3.93 0.00 -1.24 -1.52 -1.26 -4.09 119.66 111.98 3hwd s GLN 174 Ca -0.08 1.80 0.00 0.00 -1.95 0.00 0.00 55.36 55.13 3hwd s GLN 174 Cb 0.14 -4.00 0.00 0.00 -0.22 0.00 0.00 33.01 28.93 3hwd s GLN 174 CO 0.90 -1.13 0.00 0.00 -0.25 0.00 0.00 175.29 174.81 3hwd n ILE 176 N -0.92 0.00 0.95 0.00 -5.35 -1.26 -4.99 119.36 107.78 3hwd n ILE 176 Ca 0.00 -0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.54 3hwd n ILE 176 Cb 0.00 -0.18 0.09 0.00 -1.74 0.00 0.00 39.64 37.81 3hwd n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26