#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwd s THR 4 N 0.00 1.12 -0.28 0.44 -4.23 -1.26 -5.15 115.64 106.29 3hwd s THR 4 Ca 0.00 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.75 3hwd s THR 4 Cb 0.00 -0.98 0.08 0.00 1.34 0.00 0.00 72.50 72.94 3hwd s THR 4 CO 0.00 0.34 0.76 -0.55 -0.54 0.00 0.00 174.62 174.63 3hwd s SER 5 N 0.16 -0.76 -0.09 3.99 0.15 -1.26 -5.16 113.70 110.73 3hwd s SER 5 Ca -0.04 1.36 -0.02 0.00 0.70 0.00 0.00 55.95 57.95 3hwd s SER 5 Cb -0.11 1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 65.53 3hwd s SER 5 CO 0.02 -0.23 -0.01 -1.81 1.20 0.00 0.00 173.24 172.40 3hwd s ASP 6 N 0.84 5.09 -0.00 5.45 -0.00 -1.26 -5.12 116.67 121.67 3hwd s ASP 6 Ca -0.04 0.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.61 3hwd s ASP 6 Cb -0.05 -1.44 0.00 0.00 -0.00 0.00 0.00 42.92 41.44 3hwd s ASP 6 CO -0.08 0.36 -0.01 -0.76 -0.00 0.00 0.00 175.17 174.68 3hwd s LEU 7 N -0.77 1.87 0.25 1.23 1.43 -1.26 -5.07 118.68 116.37 3hwd s LEU 7 Ca 0.12 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 3hwd s LEU 7 Cb -0.11 -0.09 -0.10 0.00 0.03 0.00 0.00 46.19 45.91 3hwd s LEU 7 CO 0.02 -0.00 1.50 -0.63 0.23 0.00 0.00 176.35 177.47 3hwd s ILE 8 N 0.13 2.49 0.40 -0.59 1.01 -1.26 -4.93 121.20 118.44 3hwd s ILE 8 Ca -0.01 0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 3hwd s ILE 8 Cb -0.03 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 3hwd s ILE 8 CO -0.00 0.06 1.30 -2.84 0.00 0.00 0.00 174.94 173.46 3hwd s PRO 9 N -0.25 3.97 0.30 2.79 0.02 -1.26 -4.89 135.00 135.68 3hwd s PRO 9 Ca 0.62 2.16 -0.29 0.00 0.02 0.00 0.00 61.00 63.50 3hwd s PRO 9 Cb -0.44 -2.76 -0.11 0.00 0.02 0.00 0.00 34.50 31.22 3hwd s PRO 9 CO 0.43 -0.49 1.47 0.00 -0.33 0.00 0.00 177.00 178.08 3hwd s ALA 10 N -1.26 3.63 0.74 -1.55 0.00 -1.26 -4.97 121.76 117.09 3hwd s ALA 10 Ca 0.57 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.85 3hwd s ALA 10 Cb -0.38 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.20 3hwd s ALA 10 CO 0.49 -0.85 1.08 -1.25 0.00 0.00 0.00 175.76 175.23 3hwd s PRO 11 N -0.97 2.51 0.44 0.00 0.04 -1.26 -5.00 135.00 130.76 3hwd s PRO 11 Ca 0.57 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 3hwd s PRO 11 Cb -0.44 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3hwd s PRO 11 CO 0.50 -1.42 1.23 -1.25 0.04 0.00 0.00 177.00 176.10 3hwd s PRO 12 N -4.98 3.82 0.56 0.56 0.04 -1.26 -4.91 135.00 128.83 3hwd s PRO 12 Ca 0.60 1.96 0.26 0.00 0.04 0.00 0.00 61.00 63.86 3hwd s PRO 12 Cb -0.16 -2.56 1.50 0.00 0.04 0.00 0.00 34.50 33.32 3hwd s PRO 12 CO 0.56 -0.55 2.04 -0.07 0.04 0.00 0.00 177.00 179.02 3hwd h LEU 13 N 2.32 0.00 -2.18 -3.56 4.07 -1.94 -1.14 115.31 112.87 3hwd h LEU 13 Ca -0.49 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.49 3hwd h LEU 13 Cb 1.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.99 3hwd h LEU 13 CO 0.61 0.00 0.06 0.77 -1.08 0.00 0.00 178.44 178.80 3hwd h SER 14 N 0.00 0.00 0.34 -0.43 4.64 -2.02 -1.05 113.55 115.03 3hwd h SER 14 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hwd h SER 14 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hwd h SER 14 CO -0.00 0.00 -0.08 0.29 -0.87 0.00 0.00 176.83 176.17 3hwd n LYS 15 N -4.21 0.72 -3.67 4.77 5.02 -0.43 -4.65 118.16 115.72 3hwd n LYS 15 Ca -0.01 -0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 55.68 3hwd n LYS 15 Cb 0.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.43 3.79 0.85 -0.18 1.01 -0.40 -4.97 120.40 118.07 3hwd s VAL 16 Ca 0.31 -1.80 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 3hwd s VAL 16 Cb 0.20 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 33.21 3hwd s VAL 16 CO 0.46 -0.65 1.14 -2.84 0.00 0.00 0.00 175.10 173.21 3hwd s PRO 17 N 1.28 1.50 -0.12 2.72 0.02 -1.26 -4.98 135.00 134.16 3hwd s PRO 17 Ca 0.06 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.58 3hwd s PRO 17 Cb -0.24 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3hwd s PRO 17 CO -0.02 -2.26 -0.19 -1.17 -0.33 0.00 0.00 177.00 173.03 3hwd s LEU 18 N -6.22 2.37 0.08 -5.54 2.96 -1.26 -4.18 118.68 106.91 3hwd s LEU 18 Ca 0.66 -0.46 -0.32 0.00 -0.22 0.00 0.00 54.13 53.79 3hwd s LEU 18 Cb -0.22 -1.50 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 3hwd s LEU 18 CO 0.55 0.15 1.80 1.67 -1.32 0.00 0.00 176.35 179.21 3hwd n GLN 19 N 3.58 2.56 -2.73 1.98 -0.06 -0.22 -4.95 117.38 117.54 3hwd n GLN 19 Ca -0.19 0.93 -0.37 0.00 -2.00 0.00 0.00 57.00 55.38 3hwd n GLN 19 Cb 0.53 -2.79 -0.06 0.00 -4.06 0.00 0.00 30.24 23.85 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 2.73 4.47 -1.26 3.69 -2.07 -1.26 -3.92 119.66 122.03 3hwd s GLN 20 Ca 0.84 1.36 -0.15 0.00 -1.82 0.00 0.00 55.36 55.59 3hwd s GLN 20 Cb -0.56 -2.70 0.00 0.00 -1.09 0.00 0.00 33.01 28.66 3hwd s GLN 20 CO 0.40 0.16 0.60 -1.71 -1.32 0.00 0.00 175.29 173.43 3hwd n ASN 21 N 0.34 -3.05 -4.72 12.60 5.15 -1.26 -4.85 115.26 119.46 3hwd n ASN 21 Ca 0.03 -1.07 -0.42 0.00 -0.60 0.00 0.00 54.58 52.52 3hwd n ASN 21 Cb 0.50 -2.89 -0.03 0.00 -0.53 0.00 0.00 39.78 36.83 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 2.96 -0.51 1.20 2.19 -1.25 -4.97 117.98 113.91 3hwd s PHE 22 Ca 0.29 0.51 -0.10 0.00 0.33 0.00 0.00 56.93 57.97 3hwd s PHE 22 Cb -0.12 -4.04 0.13 0.00 -1.31 0.00 0.00 43.02 37.68 3hwd s PHE 22 CO 0.90 -3.86 0.39 -0.65 1.83 0.00 0.00 175.22 173.83 3hwd s GLN 23 N 0.96 2.58 0.25 10.12 -1.52 -1.26 -4.84 119.66 125.95 3hwd s GLN 23 Ca 0.71 -1.84 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 3hwd s GLN 23 Cb -0.47 -3.97 0.29 0.00 -0.22 0.00 0.00 33.01 28.64 3hwd s GLN 23 CO 0.33 -1.21 1.92 0.38 -0.25 0.00 0.00 175.29 176.46 3hwd h ASP 24 N 8.37 1.13 -0.82 5.90 2.03 -1.99 -2.52 116.42 128.53 3hwd h ASP 24 Ca -0.19 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.07 3hwd h ASP 24 Cb 1.07 -0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 39.25 3hwd h ASP 24 CO 0.86 0.80 0.43 -0.55 -1.03 0.00 0.00 179.24 179.75 3hwd h ASN 25 N 1.33 1.04 1.05 4.15 -1.07 -1.99 -2.68 115.58 117.41 3hwd h ASN 25 Ca 0.38 -0.11 -0.05 0.00 0.07 0.00 0.00 56.30 56.58 3hwd h ASN 25 Cb -0.09 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 35.88 3hwd h ASN 25 CO -0.10 0.86 -0.26 1.56 0.07 0.00 0.00 177.43 179.56 3hwd h GLN 26 N 1.15 0.00 -0.00 4.14 4.20 -1.90 -3.07 115.11 119.63 3hwd h GLN 26 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3hwd h GLN 26 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3hwd h GLN 26 CO -0.04 0.26 -0.09 0.34 -0.67 0.00 0.00 178.83 178.63 3hwd n PHE 27 N -3.36 0.00 -0.98 2.96 -0.00 -0.99 -4.85 117.46 110.24 3hwd n PHE 27 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 3hwd n PHE 27 Cb 0.48 -0.28 0.18 0.00 -0.00 0.00 0.00 39.48 39.85 3hwd n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3hwd s GLN 28 N -2.66 0.56 0.00 -4.13 -0.21 -1.16 -4.81 119.66 107.25 3hwd s GLN 28 Ca 0.24 0.86 0.00 0.00 0.02 0.00 0.00 55.36 56.48 3hwd s GLN 28 Cb 0.20 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.48 3hwd s GLN 28 CO 0.50 -2.73 0.00 0.41 -2.12 0.00 0.00 175.29 171.35 3hwd n GLY 29 N -0.51 -2.04 3.74 3.09 0.00 0.25 -4.90 105.19 104.83 3hwd n GLY 29 Ca 0.06 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.25 4.59 -0.03 1.61 2.20 -1.26 -1.11 119.74 125.49 3hwd s LYS 30 Ca 0.00 1.23 0.06 0.00 -0.36 0.00 0.00 55.97 56.89 3hwd s LYS 30 Cb 0.00 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3hwd s LYS 30 CO 0.00 0.28 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.49 3hwd s TRP 31 N -0.14 1.85 -0.01 4.03 0.52 -0.07 -4.81 118.94 120.32 3hwd s TRP 31 Ca 0.42 -0.44 -0.17 0.00 0.02 0.00 0.00 56.10 55.92 3hwd s TRP 31 Cb -0.22 -1.21 -0.06 0.00 -1.15 0.00 0.00 33.47 30.83 3hwd s TRP 31 CO 0.26 -0.10 0.48 0.71 0.02 0.00 0.00 176.95 178.32 3hwd s TYR 32 N -0.25 3.69 -0.93 -1.98 2.02 0.23 -0.73 117.35 119.40 3hwd s TYR 32 Ca 0.02 1.06 -0.21 0.00 -0.37 0.00 0.00 57.07 57.57 3hwd s TYR 32 Cb -0.10 -2.44 0.08 0.00 -0.40 0.00 0.00 41.96 39.11 3hwd s TYR 32 CO 0.01 0.48 1.26 0.08 -1.57 0.00 0.00 175.55 175.81 3hwd s VAL 33 N -0.58 4.28 -0.51 0.71 1.01 -0.46 0.50 120.40 125.35 3hwd s VAL 33 Ca 0.26 -0.99 0.24 0.00 0.00 0.00 0.00 61.98 61.48 3hwd s VAL 33 Cb -0.17 -4.90 0.06 0.00 0.00 0.00 0.00 36.38 31.37 3hwd s VAL 33 CO 0.14 -1.71 1.28 -0.37 0.00 0.00 0.00 175.10 174.44 3hwd h VAL 34 N 6.27 0.00 -3.07 2.92 -1.51 -1.60 -3.40 116.25 115.85 3hwd h VAL 34 Ca 0.11 -0.68 -0.17 0.00 -1.23 0.00 0.00 66.70 64.73 3hwd h VAL 34 Cb 1.02 1.28 -0.27 0.00 -2.13 0.00 0.00 31.29 31.20 3hwd h VAL 34 CO 1.26 0.00 -0.44 -0.83 -1.23 0.00 0.00 177.57 176.33 3hwd s GLY 35 N -3.90 -0.18 -0.05 5.19 0.00 -1.01 -3.96 107.32 103.40 3hwd s GLY 35 Ca 0.04 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.59 3hwd s GLY 35 CO 0.73 0.87 0.01 -2.27 0.00 0.00 0.00 173.10 172.44 3hwd s LEU 36 N 0.55 0.72 0.04 0.66 0.20 0.89 0.40 118.68 122.15 3hwd s LEU 36 Ca -0.03 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.77 3hwd s LEU 36 Cb -0.05 -0.31 -0.02 0.00 -0.43 0.00 0.00 46.19 45.38 3hwd s LEU 36 CO -0.03 -0.17 -0.07 0.00 -0.29 0.00 0.00 176.35 175.79 3hwd s ALA 37 N 1.64 0.52 0.00 5.97 0.00 -0.10 0.21 121.76 130.00 3hwd s ALA 37 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3hwd s ALA 37 Cb -0.13 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3hwd s ALA 37 CO -0.03 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3hwd n GLY 38 N 1.63 0.90 0.11 0.00 0.00 -1.09 0.79 105.19 107.53 3hwd n GLY 38 Ca -0.22 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.11 3hwd n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hwd n ASN 39 N 0.00 0.78 -0.69 1.61 6.94 -0.80 -2.57 115.26 120.53 3hwd n ASN 39 Ca 0.00 0.60 0.06 0.00 -0.02 0.00 0.00 54.58 55.22 3hwd n ASN 39 Cb 0.00 -0.80 0.17 0.00 -2.36 0.00 0.00 39.78 36.79 3hwd n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hwd n ALA 40 N -1.79 2.31 -2.79 -2.53 0.00 -1.26 -4.59 120.51 109.87 3hwd n ALA 40 Ca 0.05 -1.33 -0.36 0.00 0.00 0.00 0.00 53.44 51.80 3hwd n ALA 40 Cb 0.38 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.29 4.89 -0.00 0.00 1.01 -1.06 -5.11 121.20 119.63 3hwd s ILE 41 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 3hwd s ILE 41 Cb 0.16 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 3hwd s ILE 41 CO 0.15 0.58 0.01 -0.22 0.00 0.00 0.00 174.94 175.45 3hwd s LEU 42 N -0.67 2.00 -0.12 2.97 2.96 -1.26 -4.45 118.68 120.11 3hwd s LEU 42 Ca 0.12 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 3hwd s LEU 42 Cb -0.12 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 3hwd s LEU 42 CO 0.02 -0.06 1.25 -0.60 -1.32 0.00 0.00 176.35 175.65 3hwd s ARG 43 N -0.27 4.27 -0.54 1.98 3.52 -0.55 -4.99 118.95 122.37 3hwd s ARG 43 Ca -0.03 1.69 0.01 0.00 -0.13 0.00 0.00 55.73 57.27 3hwd s ARG 43 Cb -0.02 -3.69 0.14 0.00 -1.56 0.00 0.00 34.95 29.82 3hwd s ARG 43 CO -0.00 -0.61 0.31 -1.83 -0.81 0.00 0.00 175.30 172.36 3hwd s GLU 44 N 3.02 2.17 0.47 5.12 -1.05 -1.26 -4.97 118.70 122.19 3hwd s GLU 44 Ca 0.56 -2.51 0.14 0.00 -0.15 0.00 0.00 54.97 53.01 3hwd s GLU 44 Cb -0.23 -3.48 1.09 0.00 -0.44 0.00 0.00 34.13 31.07 3hwd s GLU 44 CO 0.18 -1.12 2.06 -0.44 0.95 0.00 0.00 175.26 176.89 3hwd h ASP 45 N 6.83 0.06 -0.40 0.83 3.32 -1.99 -2.22 116.42 122.85 3hwd h ASP 45 Ca -0.05 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 3hwd h ASP 45 Cb 0.93 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3hwd h ASP 45 CO 0.69 0.13 -0.31 0.11 -1.72 0.00 0.00 179.24 178.14 3hwd h LYS 46 N 0.06 0.92 -2.45 3.56 1.57 -2.04 -3.37 116.57 114.82 3hwd h LYS 46 Ca 0.01 -0.45 -0.59 0.00 -1.87 0.00 0.00 60.65 57.75 3hwd h LYS 46 Cb 0.16 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.07 3hwd h LYS 46 CO 0.01 1.11 -0.85 -3.47 -0.57 0.00 0.00 179.45 175.67 3hwd n ASP 47 N -4.12 1.05 -4.60 0.86 2.03 -1.03 -5.12 116.55 105.62 3hwd n ASP 47 Ca -0.02 -2.78 -0.41 0.00 0.52 0.00 0.00 54.79 52.10 3hwd n ASP 47 Cb 0.50 -0.64 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 3hwd n ASP 47 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hwd n PRO 48 N 2.09 1.27 -2.16 -0.67 -0.02 -0.87 -4.78 135.00 129.87 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 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.04 4.32 0.37 -0.52 0.74 -1.26 -4.93 119.66 116.33 3hwd s GLN 49 Ca 0.64 2.09 -0.20 0.00 0.05 0.00 0.00 55.36 57.93 3hwd s GLN 49 Cb -0.55 -3.24 -0.10 0.00 1.10 0.00 0.00 33.01 30.22 3hwd s GLN 49 CO 0.56 -0.43 0.88 0.15 -0.55 0.00 0.00 175.29 175.90 3hwd s LYS 50 N 1.04 4.25 0.24 1.67 1.02 -1.26 -1.74 119.74 124.95 3hwd s LYS 50 Ca 0.64 1.03 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 3hwd s LYS 50 Cb -0.37 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 3hwd s LYS 50 CO 0.31 0.11 1.29 1.41 -0.92 0.00 0.00 175.35 177.55 3hwd s MET 51 N -2.81 4.40 0.27 1.68 -2.45 -0.08 -4.74 119.30 115.58 3hwd s MET 51 Ca 0.56 2.08 0.07 0.00 -1.25 0.00 0.00 55.69 57.15 3hwd s MET 51 Cb -0.12 -3.16 -0.06 0.00 1.25 0.00 0.00 34.83 32.75 3hwd s MET 51 CO 0.17 -0.19 -0.08 1.52 1.05 0.00 0.00 175.02 177.49 3hwd s TYR 52 N -0.36 1.93 0.17 4.11 1.13 -1.26 -4.71 117.35 118.36 3hwd s TYR 52 Ca 0.53 -0.66 0.11 0.00 -1.41 0.00 0.00 57.07 55.64 3hwd s TYR 52 Cb -0.37 -1.06 -0.04 0.00 -1.10 0.00 0.00 41.96 39.39 3hwd s TYR 52 CO 0.43 0.31 -0.23 0.00 -2.51 0.00 0.00 175.55 173.54 3hwd s ALA 53 N -2.98 2.54 -0.08 9.51 0.00 -0.80 -1.36 121.76 128.59 3hwd s ALA 53 Ca 0.28 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3hwd s ALA 53 Cb 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3hwd s ALA 53 CO 0.11 0.47 -0.06 0.99 0.00 0.00 0.00 175.76 177.27 3hwd s THR 54 N -1.51 0.80 -0.26 0.00 2.01 0.10 -0.51 115.64 116.26 3hwd s THR 54 Ca 0.19 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 3hwd s THR 54 Cb -0.09 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3hwd s THR 54 CO 0.09 0.31 0.12 -0.63 -0.69 0.00 0.00 174.62 173.83 3hwd s ILE 55 N 1.40 4.77 -0.18 1.82 1.09 0.11 -0.89 121.20 129.32 3hwd s ILE 55 Ca -0.02 -0.02 -0.09 0.00 -1.10 0.00 0.00 60.65 59.42 3hwd s ILE 55 Cb -0.13 -3.25 -0.05 0.00 -1.06 0.00 0.00 42.46 37.97 3hwd s ILE 55 CO -0.04 0.30 0.13 -0.31 -0.10 0.00 0.00 174.94 174.92 3hwd s TYR 56 N 1.67 3.45 -0.06 3.97 2.02 -0.27 -1.41 117.35 126.72 3hwd s TYR 56 Ca 0.07 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.11 3hwd s TYR 56 Cb -0.15 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3hwd s TYR 56 CO 0.07 0.40 0.08 -1.83 -1.57 0.00 0.00 175.55 172.70 3hwd s GLU 57 N 0.00 -0.05 0.10 -0.62 -1.05 -1.09 0.87 118.70 116.86 3hwd s GLU 57 Ca 0.10 0.39 -0.31 0.00 -0.15 0.00 0.00 54.97 55.00 3hwd s GLU 57 Cb -0.11 -0.54 -0.08 0.00 -0.44 0.00 0.00 34.13 32.96 3hwd s GLU 57 CO -0.00 -0.34 1.43 -0.51 0.95 0.00 0.00 175.26 176.78 3hwd s LEU 58 N 2.19 4.36 0.72 1.83 1.43 -1.26 -1.43 118.68 126.53 3hwd s LEU 58 Ca 0.05 2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 55.44 3hwd s LEU 58 Cb -0.12 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.62 3hwd s LEU 58 CO -0.04 -0.70 1.01 -0.54 0.23 0.00 0.00 176.35 176.31 3hwd s LYS 59 N 1.42 1.78 0.24 1.70 1.02 0.25 -4.95 119.74 121.21 3hwd s LYS 59 Ca 0.66 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.82 3hwd s LYS 59 Cb -0.37 -2.25 0.25 0.00 -0.52 0.00 0.00 37.83 34.94 3hwd s LYS 59 CO 0.30 -1.42 1.81 1.05 -0.92 0.00 0.00 175.35 176.17 3hwd h GLU 60 N -0.61 1.09 -0.04 1.68 4.11 -1.96 -2.25 114.58 116.59 3hwd h GLU 60 Ca -0.40 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 58.84 3hwd h GLU 60 Cb 1.28 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hwd h GLU 60 CO 0.46 0.89 0.00 -0.40 0.07 0.00 0.00 179.01 180.03 3hwd n ASP 61 N -4.29 0.04 -0.80 3.06 5.68 -1.26 -4.87 116.55 114.12 3hwd n ASP 61 Ca 0.06 -1.82 -0.10 0.00 -0.50 0.00 0.00 54.79 52.43 3hwd n ASP 61 Cb 0.18 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.10 3hwd n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hwd n LYS 62 N -0.47 -0.72 -3.37 0.11 4.76 -0.85 -5.00 118.16 112.62 3hwd n LYS 62 Ca 0.00 0.86 -0.20 0.00 -2.87 0.00 0.00 58.31 56.10 3hwd n LYS 62 Cb 0.01 -4.80 -0.00 0.00 -1.84 0.00 0.00 35.03 28.40 3hwd n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hwd s SER 63 N -2.89 5.95 -0.14 4.39 0.01 -1.26 -4.55 113.70 115.21 3hwd s SER 63 Ca 0.00 -0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 3hwd s SER 63 Cb 0.00 -1.31 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 3hwd s SER 63 CO 0.00 -0.48 0.09 -0.31 0.41 0.00 0.00 173.24 172.95 3hwd s TYR 64 N -2.25 3.40 -0.54 2.43 1.51 -0.40 -0.58 117.35 120.91 3hwd s TYR 64 Ca 0.45 0.32 -0.24 0.00 -1.01 0.00 0.00 57.07 56.60 3hwd s TYR 64 Cb -0.10 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 3hwd s TYR 64 CO 0.33 0.48 0.91 -0.80 -1.11 0.00 0.00 175.55 175.36 3hwd s ASN 65 N -0.48 6.34 -0.40 2.29 0.02 -0.51 -1.74 114.94 120.47 3hwd s ASN 65 Ca 0.11 -0.36 -0.14 0.00 -1.02 0.00 0.00 52.86 51.45 3hwd s ASN 65 Cb -0.12 -2.42 0.02 0.00 0.02 0.00 0.00 41.25 38.75 3hwd s ASN 65 CO 0.02 -1.18 0.27 -0.69 0.02 0.00 0.00 177.10 175.54 3hwd s VAL 66 N 3.82 5.11 -0.26 1.60 1.01 0.14 -2.68 120.40 129.14 3hwd s VAL 66 Ca 0.30 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3hwd s VAL 66 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3hwd s VAL 66 CO 0.19 -0.27 -0.00 -0.89 0.00 0.00 0.00 175.10 174.13 3hwd s THR 67 N 1.66 3.40 -0.07 3.92 2.01 -0.50 0.33 115.64 126.38 3hwd s THR 67 Ca 0.04 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 3hwd s THR 67 Cb -0.19 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3hwd s THR 67 CO 0.09 0.19 0.28 -0.44 -0.69 0.00 0.00 174.62 174.05 3hwd s SER 68 N 1.42 6.58 -0.11 3.53 0.01 -0.18 0.07 113.70 125.03 3hwd s SER 68 Ca 0.02 0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.97 3hwd s SER 68 Cb -0.16 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 63.93 3hwd s SER 68 CO -0.01 0.33 -0.08 0.54 0.41 0.00 0.00 173.24 174.43 3hwd s VAL 69 N -0.85 1.02 0.16 3.43 0.11 0.34 -0.72 120.40 123.89 3hwd s VAL 69 Ca 0.19 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 3hwd s VAL 69 Cb -0.14 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 3hwd s VAL 69 CO 0.08 0.37 -0.14 -1.48 -3.33 0.00 0.00 175.10 170.60 3hwd s LEU 70 N 1.65 2.49 -0.51 2.54 2.34 -0.71 -1.90 118.68 124.58 3hwd s LEU 70 Ca 0.04 -0.93 -0.13 0.00 0.06 0.00 0.00 54.13 53.16 3hwd s LEU 70 Cb -0.13 -0.57 0.13 0.00 -0.56 0.00 0.00 46.19 45.06 3hwd s LEU 70 CO -0.08 -0.19 0.44 0.12 -1.06 0.00 0.00 176.35 175.59 3hwd s PHE 71 N -2.68 3.31 -0.04 3.48 5.36 -1.26 -0.99 117.98 125.16 3hwd s PHE 71 Ca 0.16 -1.50 0.05 0.00 -0.96 0.00 0.00 56.93 54.68 3hwd s PHE 71 Cb -0.02 -3.68 -0.01 0.00 -0.34 0.00 0.00 43.02 38.98 3hwd s PHE 71 CO 0.04 -1.01 -0.18 0.50 -1.46 0.00 0.00 175.22 173.12 3hwd s ARG 72 N 1.51 1.78 -1.40 10.12 3.52 -0.52 -4.85 118.95 129.12 3hwd s ARG 72 Ca 0.04 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 55.00 3hwd s ARG 72 Cb -0.29 -1.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.54 3hwd s ARG 72 CO 0.02 0.27 0.51 1.63 -0.81 0.00 0.00 175.30 176.92 3hwd n LYS 73 N 3.06 -3.73 -1.30 5.12 4.01 -1.26 -1.16 118.16 122.89 3hwd n LYS 73 Ca -0.18 0.46 -0.10 0.00 -0.51 0.00 0.00 58.31 57.98 3hwd n LYS 73 Cb 0.53 -4.73 -0.04 0.00 -0.51 0.00 0.00 35.03 30.27 3hwd n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3hwd n LYS 74 N -4.38 -1.60 -4.18 1.97 4.01 -1.26 -4.97 118.16 107.75 3hwd n LYS 74 Ca -0.28 0.85 -0.11 0.00 -0.51 0.00 0.00 58.31 58.26 3hwd n LYS 74 Cb 0.67 -5.21 -0.10 0.00 -0.51 0.00 0.00 35.03 29.88 3hwd n LYS 74 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3hwd s LYS 75 N -2.82 0.89 -0.35 1.97 1.02 -0.31 -5.13 119.74 115.02 3hwd s LYS 75 Ca 0.00 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.42 3hwd s LYS 75 Cb 0.00 -0.19 -0.00 0.00 -0.52 0.00 0.00 37.83 37.12 3hwd s LYS 75 CO 0.00 -0.06 0.56 0.00 -0.92 0.00 0.00 175.35 174.93 3hwd s ASP 77 N 1.76 6.65 -0.13 0.00 -0.00 -0.16 -4.97 116.67 119.83 3hwd s ASP 77 Ca 0.21 0.77 0.03 0.00 -0.00 0.00 0.00 52.55 53.56 3hwd s ASP 77 Cb -0.15 -2.21 0.01 0.00 -0.00 0.00 0.00 42.92 40.57 3hwd s ASP 77 CO 0.14 0.26 -0.22 -0.31 -0.00 0.00 0.00 175.17 175.03 3hwd s TYR 78 N -0.57 2.60 -0.31 4.23 2.02 -1.26 -1.73 117.35 122.33 3hwd s TYR 78 Ca 0.21 -1.24 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 3hwd s TYR 78 Cb -0.15 -1.76 0.07 0.00 -0.40 0.00 0.00 41.96 39.72 3hwd s TYR 78 CO 0.10 -0.55 -0.00 -1.58 -1.57 0.00 0.00 175.55 171.94 3hwd s TRP 79 N 0.69 3.41 -0.26 2.71 0.52 0.10 -4.99 118.94 121.13 3hwd s TRP 79 Ca -0.10 -2.34 -0.15 0.00 0.02 0.00 0.00 56.10 53.52 3hwd s TRP 79 Cb -0.16 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 3hwd s TRP 79 CO 0.01 -0.88 0.39 0.42 0.02 0.00 0.00 176.95 176.91 3hwd s ILE 80 N 1.11 5.16 0.29 2.03 -1.09 -1.26 -1.01 121.20 126.44 3hwd s ILE 80 Ca -0.01 0.62 0.04 0.00 -2.23 0.00 0.00 60.65 59.06 3hwd s ILE 80 Cb -0.20 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.90 3hwd s ILE 80 CO -0.04 0.16 0.03 -0.13 -1.23 0.00 0.00 174.94 173.73 3hwd s ARG 81 N 2.02 1.55 -0.13 2.79 3.00 0.15 -4.99 118.95 123.35 3hwd s ARG 81 Ca 0.16 -1.83 0.01 0.00 0.00 0.00 0.00 55.73 54.07 3hwd s ARG 81 Cb -0.16 -0.80 0.02 0.00 0.00 0.00 0.00 34.95 34.01 3hwd s ARG 81 CO 0.10 -0.14 -0.16 0.99 0.00 0.00 0.00 175.30 176.09 3hwd s THR 82 N -3.32 1.59 -0.35 0.02 2.01 -1.26 0.24 115.64 114.57 3hwd s THR 82 Ca 0.34 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 3hwd s THR 82 Cb 0.07 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3hwd s THR 82 CO 0.13 0.46 0.20 -0.36 -0.69 0.00 0.00 174.62 174.36 3hwd s PHE 83 N 1.16 3.21 -0.02 4.92 2.99 -0.71 0.22 117.98 129.75 3hwd s PHE 83 Ca -0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 56.93 56.09 3hwd s PHE 83 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 43.02 40.40 3hwd s PHE 83 CO -0.05 -0.51 0.53 0.08 -0.00 0.00 0.00 175.22 175.27 3hwd s VAL 84 N 1.62 4.98 0.22 -0.44 1.01 0.77 -1.27 120.40 127.29 3hwd s VAL 84 Ca 0.04 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 3hwd s VAL 84 Cb -0.18 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 3hwd s VAL 84 CO 0.07 0.44 1.26 -2.65 0.00 0.00 0.00 175.10 174.22 3hwd n PRO 85 N 2.69 1.60 0.00 2.72 -0.02 -1.26 -0.46 135.00 140.26 3hwd n PRO 85 Ca -0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hwd n PRO 85 Cb 0.51 -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 1.95 1.54 0.27 -1.23 0.00 0.17 -4.64 105.19 103.25 3hwd n GLY 86 Ca 0.13 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 0.83 -4.07 1.61 4.64 -1.95 -3.44 113.55 111.16 3hwd h SER 87 Ca 0.00 -0.29 -0.49 0.00 -0.47 0.00 0.00 61.79 60.54 3hwd h SER 87 Cb 0.00 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 61.66 3hwd h SER 87 CO 0.00 1.00 -0.79 0.00 -0.87 0.00 0.00 176.83 176.17 3hwd s GLN 88 N -4.66 1.08 0.20 4.77 -2.07 -1.26 -5.08 119.66 112.63 3hwd s GLN 88 Ca -0.10 -1.19 -0.33 0.00 -1.82 0.00 0.00 55.36 51.93 3hwd s GLN 88 Cb 0.13 -1.16 -0.13 0.00 -1.09 0.00 0.00 33.01 30.75 3hwd s GLN 88 CO 0.84 0.25 1.56 -2.30 -1.32 0.00 0.00 175.29 174.32 3hwd n PRO 89 N 0.83 2.25 0.00 9.60 -0.02 -1.26 -1.19 135.00 145.22 3hwd n PRO 89 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3hwd n PRO 89 Cb 0.55 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.05 0.73 3.68 -1.23 0.00 -1.26 -4.63 105.19 105.53 3hwd n GLY 90 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3hwd n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwd s GLU 91 N -0.97 3.04 0.02 1.61 2.12 -0.33 -0.66 118.70 123.53 3hwd s GLU 91 Ca 0.00 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3hwd s GLU 91 Cb 0.00 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 3hwd s GLU 91 CO 0.00 0.68 -0.01 -0.06 -0.54 0.00 0.00 175.26 175.33 3hwd s PHE 92 N -0.82 0.28 0.27 5.30 0.40 0.16 0.41 117.98 123.99 3hwd s PHE 92 Ca 0.12 -0.58 0.10 0.00 -0.60 0.00 0.00 56.93 55.97 3hwd s PHE 92 Cb -0.11 -0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.16 3hwd s PHE 92 CO 0.02 -0.23 -0.01 -0.08 0.70 0.00 0.00 175.22 175.62 3hwd s THR 93 N -1.87 3.35 -0.14 0.64 -1.32 0.39 -0.49 115.64 116.20 3hwd s THR 93 Ca -0.12 -1.94 -0.28 0.00 -1.21 0.00 0.00 61.69 58.13 3hwd s THR 93 Cb -0.07 -2.81 -0.01 0.00 -1.51 0.00 0.00 72.50 68.10 3hwd s THR 93 CO -0.02 -0.37 0.95 -0.22 -2.21 0.00 0.00 174.62 172.76 3hwd s LEU 94 N -3.67 4.21 0.37 9.08 2.96 -1.25 -0.16 118.68 130.21 3hwd s LEU 94 Ca 0.32 1.41 -0.26 0.00 -0.22 0.00 0.00 54.13 55.37 3hwd s LEU 94 Cb -0.06 -3.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 3hwd s LEU 94 CO 0.20 -0.45 1.10 -0.83 -1.32 0.00 0.00 176.35 175.04 3hwd s GLY 95 N 1.12 2.86 -1.24 7.98 0.00 0.13 -3.88 107.32 114.30 3hwd s GLY 95 Ca 0.45 0.83 -0.00 0.00 0.00 0.00 0.00 44.72 45.99 3hwd s GLY 95 CO 0.15 1.33 0.88 0.70 0.00 0.00 0.00 173.10 176.16 3hwd n ASN 96 N 0.31 -1.82 0.21 1.64 3.02 -1.26 -4.61 115.26 112.74 3hwd n ASN 96 Ca 0.03 -0.70 0.07 0.00 -0.03 0.00 0.00 54.58 53.95 3hwd n ASN 96 Cb 0.47 -4.72 0.48 0.00 -0.61 0.00 0.00 39.78 35.41 3hwd n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hwd h ILE 97 N -1.87 0.91 0.00 2.41 2.10 -1.95 -2.86 117.51 116.24 3hwd h ILE 97 Ca -0.60 -1.07 -0.02 0.00 1.08 0.00 0.00 64.86 64.25 3hwd h ILE 97 Cb 1.35 1.63 -0.00 0.00 -1.09 0.00 0.00 36.82 38.70 3hwd h ILE 97 CO 0.52 0.27 -0.12 0.11 -1.08 0.00 0.00 178.15 177.86 3hwd h LYS 98 N 0.00 0.00 0.00 2.19 1.57 -1.91 -2.32 116.57 116.10 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3hwd h LYS 98 CO 0.04 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 3hwd n SER 99 N -3.83 0.18 -4.43 0.86 3.41 -1.08 -4.59 113.62 104.15 3hwd n SER 99 Ca -0.02 0.53 -0.44 0.00 -0.26 0.00 0.00 58.87 58.68 3hwd n SER 99 Cb 0.22 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.04 3.24 0.11 7.33 1.51 -0.87 -5.06 117.35 120.56 3hwd s TYR 100 Ca 0.11 -0.74 -0.31 0.00 -1.01 0.00 0.00 57.07 55.11 3hwd s TYR 100 Cb 0.14 -2.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.07 3hwd s TYR 100 CO 0.45 -0.68 1.48 -2.14 -1.11 0.00 0.00 175.55 173.54 3hwd s PRO 101 N 1.66 4.27 0.00 -1.71 0.02 -1.26 -2.57 135.00 135.41 3hwd s PRO 101 Ca 0.05 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3hwd s PRO 101 Cb -0.21 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3hwd s PRO 101 CO 0.09 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3hwd n GLY 102 N 3.65 3.03 3.59 0.52 0.00 -1.26 -4.94 105.19 109.79 3hwd n GLY 102 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.50 -0.02 0.99 2.96 -1.06 -2.17 118.68 122.88 3hwd s LEU 103 Ca 0.00 0.36 0.21 0.00 -0.22 0.00 0.00 54.13 54.48 3hwd s LEU 103 Cb 0.00 -3.30 -0.29 0.00 0.50 0.00 0.00 46.19 43.11 3hwd s LEU 103 CO 0.00 -1.48 0.60 0.35 -1.32 0.00 0.00 176.35 174.50 3hwd n THR 104 N 6.84 0.00 -3.71 3.68 -2.24 -0.69 -4.81 114.28 113.35 3hwd n THR 104 Ca 0.12 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3hwd n THR 104 Cb 0.49 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.87 -0.27 -0.29 3.42 0.15 -1.17 -4.96 113.70 106.71 3hwd s SER 105 Ca -0.02 0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.63 3hwd s SER 105 Cb 0.14 0.37 0.11 0.00 -1.71 0.00 0.00 66.02 64.92 3hwd s SER 105 CO 0.85 -0.52 0.70 -0.47 1.20 0.00 0.00 173.24 175.00 3hwd s TYR 106 N -1.60 -1.15 -0.04 3.44 6.14 -1.26 -2.25 117.35 120.64 3hwd s TYR 106 Ca -0.11 2.13 0.02 0.00 0.64 0.00 0.00 57.07 59.75 3hwd s TYR 106 Cb -0.03 0.69 0.01 0.00 0.42 0.00 0.00 41.96 43.04 3hwd s TYR 106 CO 0.03 -0.57 -0.09 -1.17 0.64 0.00 0.00 175.55 174.39 3hwd s LEU 107 N 2.20 1.65 -0.05 6.97 2.96 0.25 -3.93 118.68 128.73 3hwd s LEU 107 Ca -0.08 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3hwd s LEU 107 Cb -0.08 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 3hwd s LEU 107 CO -0.19 0.03 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.95 3hwd s VAL 108 N 0.47 2.25 -0.09 1.68 1.01 0.36 -0.72 120.40 125.37 3hwd s VAL 108 Ca -0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3hwd s VAL 108 Cb -0.12 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.48 3hwd s VAL 108 CO 0.01 0.57 0.10 -0.60 0.00 0.00 0.00 175.10 175.19 3hwd s ARG 109 N -0.33 -0.00 -0.43 2.72 3.52 0.22 -0.66 118.95 123.97 3hwd s ARG 109 Ca 0.02 0.33 -0.28 0.00 -0.13 0.00 0.00 55.73 55.66 3hwd s ARG 109 Cb -0.12 -0.75 -0.00 0.00 -1.56 0.00 0.00 34.95 32.52 3hwd s ARG 109 CO 0.02 -0.41 1.56 0.08 -0.81 0.00 0.00 175.30 175.74 3hwd s VAL 110 N 2.21 3.71 -0.06 7.11 1.01 0.16 -0.01 120.40 134.54 3hwd s VAL 110 Ca 0.04 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 3hwd s VAL 110 Cb -0.13 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 3hwd s VAL 110 CO -0.06 -0.74 0.60 0.58 0.00 0.00 0.00 175.10 175.48 3hwd h VAL 111 N 6.59 0.40 -2.71 2.92 2.07 -0.47 -0.65 116.25 124.39 3hwd h VAL 111 Ca -0.29 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.16 3hwd h VAL 111 Cb 1.13 0.70 -0.22 0.00 -1.52 0.00 0.00 31.29 31.37 3hwd h VAL 111 CO 1.10 0.11 -0.19 -0.94 0.02 0.00 0.00 177.57 177.67 3hwd s SER 112 N -5.31 -0.40 -0.08 0.57 1.04 -1.09 -1.05 113.70 107.37 3hwd s SER 112 Ca -0.09 0.66 -0.30 0.00 0.48 0.00 0.00 55.95 56.70 3hwd s SER 112 Cb 0.00 0.71 0.07 0.00 0.10 0.00 0.00 66.02 66.90 3hwd s SER 112 CO 0.30 -0.27 0.68 0.28 0.98 0.00 0.00 173.24 175.22 3hwd s THR 113 N -0.30 0.00 -1.45 2.02 -1.32 -1.26 0.23 115.64 113.56 3hwd s THR 113 Ca -0.04 -0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.57 3hwd s THR 113 Cb -0.03 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.24 3hwd s THR 113 CO 0.02 -0.00 1.18 -0.46 -2.21 0.00 0.00 174.62 173.15 3hwd n ASN 114 N 1.19 2.80 0.00 8.08 0.23 -1.06 -5.02 115.26 121.47 3hwd n ASN 114 Ca -0.18 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 3hwd n ASN 114 Cb 0.57 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3hwd n ASN 114 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hwd n TYR 115 N 0.82 0.00 0.94 -2.53 4.01 -1.25 -4.48 117.16 114.67 3hwd n TYR 115 Ca 0.12 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.96 3hwd n TYR 115 Cb 0.43 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3hwd n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3hwd n ASN 116 N 1.37 0.93 0.08 7.72 0.23 -1.26 -4.80 115.26 119.52 3hwd n ASN 116 Ca 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3hwd n ASN 116 Cb 0.00 1.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.74 3hwd n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwd n GLN 117 N -1.54 0.00 -4.15 -3.83 6.02 -1.26 -4.78 117.38 107.83 3hwd n GLN 117 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 3hwd n GLN 117 Cb 0.34 -0.32 -0.10 0.00 1.02 0.00 0.00 30.24 31.19 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 0.87 -0.01 1.08 -3.43 -1.26 0.05 115.29 110.58 3hwd s HIS 118 Ca 0.00 -1.22 -0.25 0.00 -0.80 0.00 0.00 55.06 52.79 3hwd s HIS 118 Cb 0.00 -0.49 0.06 0.00 -1.43 0.00 0.00 32.58 30.72 3hwd s HIS 118 CO 0.00 -0.50 0.56 0.00 -2.00 0.00 0.00 174.74 172.80 3hwd s ALA 119 N -4.03 -1.46 -0.12 -1.38 0.00 -0.52 -2.57 121.76 111.69 3hwd s ALA 119 Ca 0.24 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3hwd s ALA 119 Cb 0.07 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3hwd s ALA 119 CO 0.01 -0.40 -0.13 -1.64 0.00 0.00 0.00 175.76 173.61 3hwd s MET 120 N -1.67 2.03 -0.07 0.00 -1.94 0.13 0.07 119.30 117.85 3hwd s MET 120 Ca -0.09 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.46 3hwd s MET 120 Cb -0.01 -1.86 -0.00 0.00 2.01 0.00 0.00 34.83 34.97 3hwd s MET 120 CO 0.05 -0.18 -0.20 0.08 -0.01 0.00 0.00 175.02 174.76 3hwd s VAL 121 N 1.34 1.74 -0.14 -6.03 1.01 -0.92 0.14 120.40 117.55 3hwd s VAL 121 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 3hwd s VAL 121 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3hwd s VAL 121 CO -0.06 0.49 0.13 0.12 0.00 0.00 0.00 175.10 175.78 3hwd s PHE 122 N 0.21 3.54 -0.02 5.22 2.19 0.99 -1.46 117.98 128.65 3hwd s PHE 122 Ca -0.11 0.47 0.05 0.00 0.33 0.00 0.00 56.93 57.68 3hwd s PHE 122 Cb -0.15 -1.98 -0.01 0.00 -1.31 0.00 0.00 43.02 39.56 3hwd s PHE 122 CO 0.05 0.63 -0.19 -0.06 1.83 0.00 0.00 175.22 177.48 3hwd s PHE 123 N -0.71 1.75 -0.02 10.12 0.08 0.66 -0.61 117.98 129.24 3hwd s PHE 123 Ca 0.13 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3hwd s PHE 123 Cb -0.12 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 3hwd s PHE 123 CO 0.03 -0.07 -0.00 0.21 -0.10 0.00 0.00 175.22 175.28 3hwd s LYS 124 N -0.31 0.19 -0.13 0.44 2.20 0.11 -0.88 119.74 121.36 3hwd s LYS 124 Ca 0.04 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.61 3hwd s LYS 124 Cb -0.09 -0.31 0.05 0.00 -1.51 0.00 0.00 37.83 35.97 3hwd s LYS 124 CO 0.00 -0.07 0.31 0.00 -0.36 0.00 0.00 175.35 175.23 3hwd s ALA 125 N 0.61 -0.76 -0.40 3.13 0.00 0.37 0.88 121.76 125.57 3hwd s ALA 125 Ca -0.06 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3hwd s ALA 125 Cb -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3hwd s ALA 125 CO -0.01 -0.21 0.29 0.08 0.00 0.00 0.00 175.76 175.92 3hwd s VAL 126 N 1.02 5.24 -0.12 0.00 1.01 -0.95 -0.04 120.40 126.56 3hwd s VAL 126 Ca -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3hwd s VAL 126 Cb -0.08 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3hwd s VAL 126 CO -0.08 -0.29 -0.16 -0.55 0.00 0.00 0.00 175.10 174.02 3hwd s SER 127 N 1.68 2.62 -1.42 3.32 0.15 -0.72 -1.71 113.70 117.61 3hwd s SER 127 Ca 0.05 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 3hwd s SER 127 Cb -0.19 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.99 3hwd s SER 127 CO 0.10 0.01 0.91 0.00 1.20 0.00 0.00 173.24 175.46 3hwd n GLN 128 N 4.30 -5.66 -1.57 5.44 3.00 -0.92 -1.85 117.38 120.12 3hwd n GLN 128 Ca -0.19 0.64 -0.20 0.00 -0.01 0.00 0.00 57.00 57.25 3hwd n GLN 128 Cb 0.51 -5.44 -0.08 0.00 0.00 0.00 0.00 30.24 25.22 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 -2.95 -5.16 -4.29 1.08 4.13 -1.26 -4.97 115.26 101.85 3hwd n ASN 129 Ca -0.10 0.48 -0.34 0.00 1.68 0.00 0.00 54.58 56.30 3hwd n ASN 129 Cb 0.59 -4.58 -0.14 0.00 -1.54 0.00 0.00 39.78 34.10 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 -3.66 3.31 -0.69 3.52 0.52 -0.77 -5.07 118.95 116.11 3hwd s ARG 130 Ca 0.00 -0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 54.29 3hwd s ARG 130 Cb 0.00 -2.87 0.05 0.00 0.52 0.00 0.00 34.95 32.64 3hwd s ARG 130 CO 0.00 -0.13 1.14 -2.00 0.02 0.00 0.00 175.30 174.33 3hwd s GLU 131 N 1.25 3.19 0.13 3.54 2.12 -1.26 -1.76 118.70 125.91 3hwd s GLU 131 Ca 0.03 -0.42 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 3hwd s GLU 131 Cb -0.14 -4.18 -0.06 0.00 0.26 0.00 0.00 34.13 30.01 3hwd s GLU 131 CO -0.04 -1.96 0.38 0.71 -0.54 0.00 0.00 175.26 173.81 3hwd s TYR 132 N 4.99 3.50 -0.02 5.30 1.51 0.95 -4.58 117.35 128.99 3hwd s TYR 132 Ca 0.31 0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 56.85 3hwd s TYR 132 Cb -0.11 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3hwd s TYR 132 CO 0.14 0.45 0.26 -0.59 -1.11 0.00 0.00 175.55 174.70 3hwd s PHE 133 N -1.60 -0.13 0.09 2.71 -0.71 -1.26 -0.48 117.98 116.60 3hwd s PHE 133 Ca 0.39 0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 56.41 3hwd s PHE 133 Cb -0.12 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.73 3hwd s PHE 133 CO 0.23 -0.34 0.15 0.00 -1.34 0.00 0.00 175.22 173.92 3hwd s ALA 134 N -1.21 0.03 -0.04 1.99 0.00 -0.06 -1.91 121.76 120.55 3hwd s ALA 134 Ca -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3hwd s ALA 134 Cb -0.06 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3hwd s ALA 134 CO 0.03 -0.50 -0.08 0.42 0.00 0.00 0.00 175.76 175.63 3hwd s ILE 135 N -3.90 0.78 -0.09 0.00 1.09 0.24 -0.25 121.20 119.06 3hwd s ILE 135 Ca 0.08 -0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.35 3hwd s ILE 135 Cb 0.05 -0.73 -0.02 0.00 -1.06 0.00 0.00 42.46 40.70 3hwd s ILE 135 CO -0.08 0.27 -0.15 0.42 -0.10 0.00 0.00 174.94 175.29 3hwd s THR 136 N 0.58 2.92 -0.65 2.92 -4.23 -0.53 -0.93 115.64 115.72 3hwd s THR 136 Ca -0.09 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 3hwd s THR 136 Cb -0.13 -2.18 0.12 0.00 1.34 0.00 0.00 72.50 71.65 3hwd s THR 136 CO 0.01 0.55 0.74 -0.22 -0.54 0.00 0.00 174.62 175.17 3hwd s LEU 137 N -0.06 5.55 0.25 4.79 0.20 0.16 -2.15 118.68 127.42 3hwd s LEU 137 Ca -0.03 -1.65 -0.30 0.00 0.69 0.00 0.00 54.13 52.84 3hwd s LEU 137 Cb -0.14 -2.30 -0.09 0.00 -0.43 0.00 0.00 46.19 43.23 3hwd s LEU 137 CO 0.04 -1.04 0.94 -0.31 -0.29 0.00 0.00 176.35 175.69 3hwd s TYR 138 N 2.35 3.96 -0.01 5.38 2.02 0.11 -1.56 117.35 129.60 3hwd s TYR 138 Ca 0.14 1.90 0.05 0.00 -0.37 0.00 0.00 57.07 58.79 3hwd s TYR 138 Cb -0.21 -2.97 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 3hwd s TYR 138 CO 0.03 0.44 -0.16 0.20 -1.57 0.00 0.00 175.55 174.49 3hwd s GLY 139 N -1.22 0.78 0.20 0.71 0.00 0.18 -1.44 107.32 106.53 3hwd s GLY 139 Ca 0.42 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.49 3hwd s GLY 139 CO 0.31 -0.57 1.47 -0.09 0.00 0.00 0.00 173.10 174.23 3hwd h ARG 140 N 5.75 0.21 -6.00 2.90 9.65 -0.68 0.65 114.38 126.86 3hwd h ARG 140 Ca -0.36 -0.18 -0.55 0.00 -1.10 0.00 0.00 59.98 57.79 3hwd h ARG 140 Cb 1.16 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.72 3hwd h ARG 140 CO 0.49 0.85 -0.37 0.95 2.80 0.00 0.00 179.97 184.69 3hwd s THR 141 N -3.48 2.11 0.03 0.20 -4.23 -1.26 -4.71 115.64 104.28 3hwd s THR 141 Ca -0.03 -1.49 0.26 0.00 -1.18 0.00 0.00 61.69 59.25 3hwd s THR 141 Cb 0.11 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.64 3hwd s THR 141 CO 0.81 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.81 3hwd h LYS 142 N 0.98 0.00 -6.46 3.99 1.57 -1.96 -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 57.71 3hwd h LYS 142 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.42 3hwd h LYS 142 CO 0.60 0.15 -0.73 -1.21 -0.57 0.00 0.00 179.45 177.69 3hwd s GLU 143 N -3.54 2.28 0.09 3.15 0.41 -1.26 -4.87 118.70 114.96 3hwd s GLU 143 Ca 0.02 -0.91 -0.00 0.00 -0.41 0.00 0.00 54.97 53.67 3hwd s GLU 143 Cb 0.09 -2.36 -0.04 0.00 -1.78 0.00 0.00 34.13 30.03 3hwd s GLU 143 CO 0.62 0.55 -0.02 -0.51 -0.49 0.00 0.00 175.26 175.41 3hwd s LEU 144 N -1.82 2.32 0.82 1.80 1.43 -1.26 -4.92 118.68 117.05 3hwd s LEU 144 Ca 0.19 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 3hwd s LEU 144 Cb -0.11 0.14 0.09 0.00 0.03 0.00 0.00 46.19 46.33 3hwd s LEU 144 CO 0.10 -0.59 1.09 0.42 0.23 0.00 0.00 176.35 177.61 3hwd s THR 145 N -3.86 3.04 0.31 5.49 -4.23 -1.26 -4.87 115.64 110.26 3hwd s THR 145 Ca 0.13 0.34 0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3hwd s THR 145 Cb 0.07 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 71.19 3hwd s THR 145 CO -0.05 -0.44 1.76 0.28 -0.54 0.00 0.00 174.62 175.63 3hwd h SER 146 N -1.31 0.37 -0.53 3.99 0.02 -2.01 -2.19 113.55 111.89 3hwd h SER 146 Ca -0.46 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 3hwd h SER 146 Cb 1.25 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 3hwd h SER 146 CO 0.52 0.63 0.31 -0.08 -1.14 0.00 0.00 176.83 177.07 3hwd h GLU 147 N 0.33 0.73 -0.26 3.45 4.81 -1.98 0.18 114.58 121.84 3hwd h GLU 147 Ca 0.05 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 3hwd h GLU 147 Cb 0.63 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3hwd h GLU 147 CO 0.04 0.55 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.33 3hwd h LEU 148 N 0.71 0.74 -0.35 1.64 3.38 -1.91 -1.59 115.31 117.92 3hwd h LEU 148 Ca 0.19 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3hwd h LEU 148 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hwd h LEU 148 CO -0.03 1.09 -0.26 0.11 0.09 0.00 0.00 178.44 179.43 3hwd h LYS 149 N 0.54 0.79 0.00 1.13 1.57 -1.15 -1.30 116.57 118.15 3hwd h LYS 149 Ca 0.03 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 3hwd h LYS 149 Cb 1.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3hwd h LYS 149 CO 0.10 1.01 -0.37 0.93 -0.57 0.00 0.00 179.45 180.55 3hwd h GLU 150 N 0.57 0.00 -0.18 3.15 5.08 -0.66 -1.61 114.58 120.93 3hwd h GLU 150 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3hwd h GLU 150 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3hwd h GLU 150 CO 0.07 0.37 -0.52 -0.97 -1.00 0.00 0.00 179.01 176.96 3hwd h ASN 151 N 0.00 0.56 -0.44 1.42 -1.24 -1.12 -0.78 115.58 113.98 3hwd h ASN 151 Ca -0.00 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 56.64 3hwd h ASN 151 Cb 0.69 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 3hwd h ASN 151 CO 0.05 0.98 -0.03 0.15 -1.29 0.00 0.00 177.43 177.28 3hwd h PHE 152 N 0.40 0.87 -0.76 0.67 3.04 -0.91 -1.27 116.94 118.97 3hwd h PHE 152 Ca 0.01 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 61.75 3hwd h PHE 152 Cb 1.04 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.30 3hwd h PHE 152 CO 0.04 0.87 0.28 0.82 -2.02 0.00 0.00 178.31 178.30 3hwd h ILE 153 N 0.63 1.26 -0.37 1.41 2.04 -1.24 -0.38 117.51 120.85 3hwd h ILE 153 Ca 0.12 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3hwd h ILE 153 Cb 0.54 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3hwd h ILE 153 CO 0.03 0.34 0.14 -0.09 0.00 0.00 0.00 178.15 178.57 3hwd h ARG 154 N 1.12 0.57 -0.44 2.37 2.43 -0.98 -1.72 114.38 117.73 3hwd h ARG 154 Ca 0.25 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3hwd h ARG 154 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3hwd h ARG 154 CO -0.02 0.56 -0.17 0.35 -1.51 0.00 0.00 179.97 179.18 3hwd h PHE 155 N 0.46 1.01 -0.36 2.20 3.57 -1.12 -2.36 116.94 120.33 3hwd h PHE 155 Ca 0.12 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.43 3hwd h PHE 155 Cb 0.21 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3hwd h PHE 155 CO 0.00 1.01 0.11 0.77 -2.23 0.00 0.00 178.31 177.97 3hwd h SER 156 N 0.71 0.09 -0.45 0.41 0.02 -0.94 -1.91 113.55 111.48 3hwd h SER 156 Ca 0.10 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3hwd h SER 156 Cb 0.72 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3hwd h SER 156 CO 0.06 0.09 0.26 0.11 -1.14 0.00 0.00 176.83 176.20 3hwd h LYS 157 N 0.25 0.65 0.00 3.45 1.57 -1.24 -2.16 116.57 119.09 3hwd h LYS 157 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3hwd h LYS 157 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hwd h LYS 157 CO -0.19 0.48 0.00 -1.13 -0.57 0.00 0.00 179.45 178.04 3hwd n SER 158 N -4.42 0.41 -1.47 0.86 3.41 -0.73 -0.91 113.62 110.77 3hwd n SER 158 Ca 0.04 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3hwd n SER 158 Cb 0.10 -0.70 0.34 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.98 4.57 0.00 1.04 4.77 -0.83 -4.96 117.00 119.61 3hwd n LEU 159 Ca 0.02 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 3hwd n LEU 159 Cb 0.16 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hwd n LEU 159 CO 0.15 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3hwd n GLY 160 N 1.01 0.59 3.64 -0.72 0.00 -0.09 -4.65 105.19 104.97 3hwd n GLY 160 Ca 0.25 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 4.09 1.10 0.99 1.43 -1.13 -5.00 118.68 120.16 3hwd s LEU 161 Ca 0.00 0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 3hwd s LEU 161 Cb 0.00 -2.31 0.25 0.00 0.03 0.00 0.00 46.19 44.16 3hwd s LEU 161 CO 0.00 -0.06 1.19 -2.16 0.23 0.00 0.00 176.35 175.55 3hwd s PRO 162 N 1.53 -0.46 0.19 1.29 0.04 -1.26 -3.87 135.00 132.46 3hwd s PRO 162 Ca 0.13 -0.19 -0.12 0.00 0.04 0.00 0.00 61.00 60.85 3hwd s PRO 162 Cb -0.15 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.82 3hwd s PRO 162 CO 0.08 -3.18 1.83 1.05 0.04 0.00 0.00 177.00 176.82 3hwd h GLU 163 N -2.20 0.72 0.00 4.56 9.09 -1.98 -2.51 114.58 122.26 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 1.27 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3hwd h GLU 163 CO 0.36 0.47 0.00 0.27 0.05 0.00 0.00 179.01 180.17 3hwd n ASN 164 N -4.72 0.00 -0.87 3.06 6.94 -1.26 -1.29 115.26 117.12 3hwd n ASN 164 Ca 0.05 0.50 0.11 0.00 -0.02 0.00 0.00 54.58 55.21 3hwd n ASN 164 Cb 0.06 -0.50 0.28 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.50 0.37 -4.32 -2.53 8.25 -0.95 -1.48 115.22 113.07 3hwd n HIS 165 Ca 0.04 -0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 56.98 3hwd n HIS 165 Cb 0.19 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.63 3.10 0.12 1.59 1.01 -0.41 -2.67 121.20 122.31 3hwd s ILE 166 Ca 0.35 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3hwd s ILE 166 Cb 0.20 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hwd s ILE 166 CO 0.29 0.48 -0.18 0.68 0.00 0.00 0.00 174.94 176.21 3hwd s VAL 167 N 0.93 1.59 -0.39 2.92 -7.23 0.13 -4.85 120.40 113.51 3hwd s VAL 167 Ca -0.02 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3hwd s VAL 167 Cb -0.15 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.33 3hwd s VAL 167 CO -0.00 -0.24 0.14 -0.36 -0.31 0.00 0.00 175.10 174.33 3hwd s PHE 168 N -1.66 2.78 0.23 2.82 0.40 -1.26 -0.07 117.98 121.21 3hwd s PHE 168 Ca 0.09 -2.61 -0.31 0.00 -0.60 0.00 0.00 56.93 53.49 3hwd s PHE 168 Cb -0.08 -2.40 -0.14 0.00 0.51 0.00 0.00 43.02 40.92 3hwd s PHE 168 CO 0.04 -0.85 1.38 -2.30 0.70 0.00 0.00 175.22 174.19 3hwd n PRO 169 N 4.01 1.95 -2.42 0.24 -0.02 -1.25 -4.93 135.00 132.58 3hwd n PRO 169 Ca 0.04 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3hwd n PRO 169 Cb 0.38 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3hwd n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwd s VAL 170 N -0.07 3.94 0.38 -1.45 0.11 -0.71 -4.53 120.40 118.07 3hwd s VAL 170 Ca 0.69 1.44 -0.26 0.00 -2.93 0.00 0.00 61.98 60.92 3hwd s VAL 170 Cb -0.67 -3.92 -0.11 0.00 -1.53 0.00 0.00 36.38 30.15 3hwd s VAL 170 CO 0.50 0.14 1.13 -2.65 -3.33 0.00 0.00 175.10 170.89 3hwd n PRO 171 N 3.60 1.65 -4.14 1.54 -0.02 -1.26 -0.90 135.00 135.46 3hwd n PRO 171 Ca 0.08 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 3hwd n PRO 171 Cb 0.46 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.19 0.09 -0.05 4.25 -4.36 -1.26 -4.84 121.20 113.85 3hwd s ILE 172 Ca 0.60 -1.89 0.21 0.00 -0.26 0.00 0.00 60.65 59.31 3hwd s ILE 172 Cb -0.57 -2.07 -0.33 0.00 1.25 0.00 0.00 42.46 40.75 3hwd s ILE 172 CO 0.59 -0.42 0.47 0.47 0.24 0.00 0.00 174.94 176.29 3hwd n ASP 173 N -0.11 0.19 -4.66 4.36 10.43 -1.26 -4.84 116.55 120.65 3hwd n ASP 173 Ca -0.05 -0.02 -0.43 0.00 2.57 0.00 0.00 54.79 56.86 3hwd n ASP 173 Cb 0.64 1.94 -0.02 0.00 1.84 0.00 0.00 41.12 45.51 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 -3.45 4.21 0.00 -1.24 1.11 -1.26 -4.07 119.66 114.96 3hwd s GLN 174 Ca -0.07 1.90 0.00 0.00 0.01 0.00 0.00 55.36 57.20 3hwd s GLN 174 Cb 0.14 -3.84 0.00 0.00 -1.01 0.00 0.00 33.01 28.29 3hwd s GLN 174 CO 0.88 -0.76 0.00 0.00 0.01 0.00 0.00 175.29 175.42 3hwd n ILE 176 N 0.00 0.00 -3.97 0.00 -5.35 -1.26 -4.79 119.36 103.99 3hwd n ILE 176 Ca 0.00 -0.03 -0.25 0.00 -0.27 0.00 0.00 62.75 62.20 3hwd n ILE 176 Cb 0.00 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.51 3hwd n ILE 176 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3hwd s ASP 177 N -2.33 6.21 0.00 7.28 1.01 -1.26 -4.92 116.67 122.66 3hwd s ASP 177 Ca 0.36 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.72 3hwd s ASP 177 Cb 0.21 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 42.31 3hwd s ASP 177 CO 0.43 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.45