#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hei s VAL 2 N 0.00 2.15 -0.07 2.62 1.01 -0.30 -4.97 120.40 120.84 3hei s VAL 2 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 3hei s VAL 2 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3hei s VAL 2 CO 0.00 0.45 0.82 -0.69 0.00 0.00 0.00 175.10 175.68 3hei s VAL 3 N 1.27 4.95 -0.15 2.92 1.01 -1.26 -1.81 120.40 127.33 3hei s VAL 3 Ca 0.03 1.68 0.17 0.00 0.00 0.00 0.00 61.98 63.86 3hei s VAL 3 Cb -0.14 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 3hei s VAL 3 CO -0.11 0.17 0.14 0.18 0.00 0.00 0.00 175.10 175.47 3hei n LEU 4 N 4.17 0.00 -3.76 3.92 4.77 0.21 -4.96 117.00 121.35 3hei n LEU 4 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 3hei n LEU 4 Cb 0.51 0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 3hei n LEU 4 CO 0.49 0.37 -0.00 -0.22 -1.33 0.00 0.00 177.39 176.69 3hei s LEU 5 N -5.17 0.77 -0.31 2.23 2.96 -0.95 -4.89 118.68 113.32 3hei s LEU 5 Ca -0.09 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3hei s LEU 5 Cb 0.07 1.14 0.14 0.00 0.50 0.00 0.00 46.19 48.04 3hei s LEU 5 CO 0.77 -0.16 0.32 -0.62 -1.32 0.00 0.00 176.35 175.33 3hei s ASP 6 N -0.05 1.51 0.11 3.68 3.68 -1.25 -0.56 116.67 123.79 3hei s ASP 6 Ca -0.02 -0.91 -0.21 0.00 2.13 0.00 0.00 52.55 53.54 3hei s ASP 6 Cb -0.03 0.55 -0.10 0.00 -1.45 0.00 0.00 42.92 41.89 3hei s ASP 6 CO 0.01 -0.36 1.76 0.15 0.13 0.00 0.00 175.17 176.86 3hei h PHE 7 N 8.00 0.15 0.00 -5.34 3.57 -1.63 -2.74 116.94 118.95 3hei h PHE 7 Ca -0.09 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 3hei h PHE 7 Cb 1.07 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3hei h PHE 7 CO 0.29 0.10 -0.21 0.00 -2.23 0.00 0.00 178.31 176.26 3hei h ALA 8 N 1.04 1.35 -0.00 2.41 0.00 -1.81 -0.51 119.26 121.74 3hei h ALA 8 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hei h ALA 8 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hei h ALA 8 CO -0.01 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 3hei n ALA 9 N -2.36 2.36 0.61 0.00 0.00 -1.04 -3.71 120.51 116.38 3hei n ALA 9 Ca -0.02 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.44 3hei n ALA 9 Cb 0.30 -1.46 0.46 0.00 0.00 0.00 0.00 19.45 18.75 3hei n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hei n ALA 10 N -1.48 2.02 -2.44 0.00 0.00 -0.20 -4.93 120.51 113.48 3hei n ALA 10 Ca 0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 3hei n ALA 10 Cb 0.33 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hei n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hei n GLY 11 N 0.78 -0.25 2.65 0.00 0.00 -1.24 -2.55 105.19 104.57 3hei n GLY 11 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hei n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hei n GLY 12 N -1.10 1.20 0.04 -0.02 0.00 -1.26 -4.88 105.19 99.16 3hei n GLY 12 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hei n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hei n GLU 13 N -2.00 0.14 -3.64 1.61 1.02 -1.06 -4.78 120.64 111.94 3hei n GLU 13 Ca 0.00 -0.07 -0.37 0.00 -0.02 0.00 0.00 57.16 56.70 3hei n GLU 13 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 3hei n GLU 13 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hei s LEU 14 N -2.91 4.04 -0.35 -4.62 0.20 -1.26 -5.04 118.68 108.75 3hei s LEU 14 Ca 0.14 0.04 -0.01 0.00 0.69 0.00 0.00 54.13 54.99 3hei s LEU 14 Cb 0.18 -2.10 0.08 0.00 -0.43 0.00 0.00 46.19 43.92 3hei s LEU 14 CO 0.64 0.01 0.08 -0.83 -0.29 0.00 0.00 176.35 175.96 3hei s GLY 15 N 1.39 1.87 0.31 7.98 0.00 -1.26 -5.08 107.32 112.53 3hei s GLY 15 Ca 0.07 -2.17 -0.14 0.00 0.00 0.00 0.00 44.72 42.49 3hei s GLY 15 CO 0.07 0.85 0.70 -0.98 0.00 0.00 0.00 173.10 173.75 3hei s TRP 16 N 1.15 3.39 0.35 1.90 0.51 -1.26 -4.88 118.94 120.10 3hei s TRP 16 Ca 0.02 1.14 -0.28 0.00 -2.12 0.00 0.00 56.10 54.86 3hei s TRP 16 Cb -0.21 -2.47 -0.10 0.00 -0.81 0.00 0.00 33.47 29.88 3hei s TRP 16 CO -0.03 0.11 1.24 -1.17 -0.51 0.00 0.00 176.95 176.59 3hei s LEU 17 N -3.02 4.37 0.10 2.99 0.20 -1.12 -4.88 118.68 117.32 3hei s LEU 17 Ca 0.53 2.54 0.08 0.00 0.69 0.00 0.00 54.13 57.97 3hei s LEU 17 Cb -0.10 -3.76 -0.03 0.00 -0.43 0.00 0.00 46.19 41.86 3hei s LEU 17 CO 0.19 -0.55 -0.21 0.42 -0.29 0.00 0.00 176.35 175.91 3hei s THR 18 N -1.22 1.71 -0.07 3.68 -4.23 -1.26 -1.32 115.64 112.94 3hei s THR 18 Ca 0.51 -1.51 -0.07 0.00 -1.18 0.00 0.00 61.69 59.44 3hei s THR 18 Cb -0.36 -1.55 0.02 0.00 1.34 0.00 0.00 72.50 71.95 3hei s THR 18 CO 0.47 -0.04 0.19 -2.28 -0.54 0.00 0.00 174.62 172.43 3hei s HIS 19 N -1.13 -0.20 0.61 3.99 5.04 0.37 -3.89 115.29 120.08 3hei s HIS 19 Ca 0.06 0.49 -0.19 0.00 -1.54 0.00 0.00 55.06 53.89 3hei s HIS 19 Cb -0.10 0.07 -0.03 0.00 0.04 0.00 0.00 32.58 32.56 3hei s HIS 19 CO 0.04 -0.10 1.28 -2.14 -2.34 0.00 0.00 174.74 171.48 3hei s PRO 20 N 0.07 2.78 0.29 2.88 0.02 -1.26 -0.06 135.00 139.72 3hei s PRO 20 Ca -0.00 2.03 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 3hei s PRO 20 Cb -0.01 -1.95 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 3hei s PRO 20 CO 0.00 -1.41 1.60 0.98 -0.33 0.00 0.00 177.00 177.84 3hei n TYR 21 N -1.64 2.84 0.00 6.54 9.36 -1.25 -2.27 117.16 130.73 3hei n TYR 21 Ca 0.14 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.61 3hei n TYR 21 Cb 0.48 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 3hei n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hei n GLY 22 N 2.24 2.51 3.90 2.98 0.00 -1.26 -5.01 105.19 110.54 3hei n GLY 22 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3hei n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hei s LYS 23 N -0.40 2.57 6.05 1.61 1.02 -0.96 -5.04 119.74 124.59 3hei s LYS 23 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 3hei s LYS 23 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3hei s LYS 23 CO 0.00 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 3hei n GLY 24 N -1.59 1.43 3.68 -3.33 0.00 -1.26 -4.70 105.19 99.41 3hei n GLY 24 Ca 0.04 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.04 3hei n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hei n TRP 25 N 12.73 2.36 -4.90 1.61 7.02 -1.26 -4.71 117.44 130.27 3hei n TRP 25 Ca 0.00 0.22 -0.29 0.00 -1.02 0.00 0.00 57.50 56.41 3hei n TRP 25 Cb 0.00 -2.57 -0.15 0.00 -2.42 0.00 0.00 31.31 26.17 3hei n TRP 25 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3hei s ASP 26 N 1.08 2.90 -0.25 -0.99 1.01 0.47 -4.92 116.67 115.96 3hei s ASP 26 Ca 0.79 -0.54 -0.29 0.00 0.71 0.00 0.00 52.55 53.22 3hei s ASP 26 Cb -0.65 -0.27 0.01 0.00 1.01 0.00 0.00 42.92 43.02 3hei s ASP 26 CO 0.37 0.24 1.08 -0.22 0.21 0.00 0.00 175.17 176.85 3hei s LEU 27 N -1.07 4.06 0.14 1.23 2.96 -1.26 -0.69 118.68 124.05 3hei s LEU 27 Ca 0.10 1.32 0.10 0.00 -0.22 0.00 0.00 54.13 55.43 3hei s LEU 27 Cb -0.09 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3hei s LEU 27 CO 0.01 -0.74 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.07 3hei s MET 28 N 3.36 1.70 -0.06 1.98 -1.94 0.15 -4.96 119.30 119.53 3hei s MET 28 Ca 0.46 -1.28 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 3hei s MET 28 Cb -0.15 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.64 3hei s MET 28 CO 0.09 0.45 -0.20 -0.65 -0.01 0.00 0.00 175.02 174.71 3hei s GLN 29 N -2.31 2.63 0.19 2.03 -0.21 -1.26 -1.00 119.66 119.73 3hei s GLN 29 Ca 0.19 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.69 3hei s GLN 29 Cb -0.10 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 3hei s GLN 29 CO 0.10 0.44 0.25 -0.80 -2.12 0.00 0.00 175.29 173.16 3hei s ASN 30 N -0.28 0.08 -0.13 5.90 0.01 -0.16 -5.01 114.94 115.35 3hei s ASN 30 Ca 0.01 -1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 51.05 3hei s ASN 30 Cb -0.13 0.44 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 3hei s ASN 30 CO 0.03 -0.92 -0.11 -0.63 -1.51 0.00 0.00 177.10 173.96 3hei s ILE 31 N -4.06 3.29 -0.03 0.60 1.01 -1.26 0.08 121.20 120.83 3hei s ILE 31 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3hei s ILE 31 Cb 0.04 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.15 3hei s ILE 31 CO 0.07 0.53 0.03 -0.32 0.00 0.00 0.00 174.94 175.24 3hei s MET 32 N 0.21 0.09 -1.39 2.79 1.75 -0.14 -4.76 119.30 117.85 3hei s MET 32 Ca -0.06 0.21 -0.08 0.00 -1.25 0.00 0.00 55.69 54.51 3hei s MET 32 Cb -0.15 -0.45 0.03 0.00 2.84 0.00 0.00 34.83 37.10 3hei s MET 32 CO 0.04 -0.22 0.98 0.09 -0.65 0.00 0.00 175.02 175.26 3hei n ASN 33 N 4.60 -4.05 -1.86 1.11 3.02 -1.26 -1.61 115.26 115.21 3hei n ASN 33 Ca -0.18 -0.70 -0.20 0.00 -0.03 0.00 0.00 54.58 53.47 3hei n ASN 33 Cb 0.50 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.21 3hei n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hei n ASP 34 N -2.98 -5.30 -4.30 6.41 8.00 -1.26 -4.97 116.55 112.16 3hei n ASP 34 Ca -0.09 0.32 -0.31 0.00 0.71 0.00 0.00 54.79 55.42 3hei n ASP 34 Cb 0.59 -4.61 -0.16 0.00 -0.02 0.00 0.00 41.12 36.92 3hei n ASP 34 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3hei s MET 35 N -4.14 2.29 -0.04 -1.24 -1.94 -0.63 -5.11 119.30 108.49 3hei s MET 35 Ca 0.00 -0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 52.76 3hei s MET 35 Cb 0.00 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 3hei s MET 35 CO 0.00 0.49 1.18 -1.25 -0.01 0.00 0.00 175.02 175.43 3hei s PRO 36 N -0.43 4.37 0.22 2.03 0.04 -1.26 -0.97 135.00 139.00 3hei s PRO 36 Ca 0.05 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3hei s PRO 36 Cb -0.12 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 3hei s PRO 36 CO 0.01 -0.40 -0.15 0.96 0.04 0.00 0.00 177.00 177.46 3hei s ILE 37 N 2.02 1.89 0.25 0.56 -4.36 0.11 -4.96 121.20 116.71 3hei s ILE 37 Ca 0.55 -2.25 0.10 0.00 -0.26 0.00 0.00 60.65 58.80 3hei s ILE 37 Cb -0.25 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 3hei s ILE 37 CO 0.23 -0.55 -0.10 -0.31 0.24 0.00 0.00 174.94 174.45 3hei s TYR 38 N -2.88 2.52 0.07 1.37 1.51 -1.26 -0.99 117.35 117.69 3hei s TYR 38 Ca 0.24 -0.27 -0.21 0.00 -1.01 0.00 0.00 57.07 55.83 3hei s TYR 38 Cb -0.01 -1.14 0.05 0.00 -0.11 0.00 0.00 41.96 40.74 3hei s TYR 38 CO 0.09 0.62 0.50 0.00 -1.11 0.00 0.00 175.55 175.65 3hei s MET 39 N -3.39 1.05 -0.18 -0.62 0.23 -0.17 -4.77 119.30 111.45 3hei s MET 39 Ca 0.29 -0.35 -0.14 0.00 -1.03 0.00 0.00 55.69 54.46 3hei s MET 39 Cb -0.06 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 3hei s MET 39 CO 0.17 -0.39 0.28 0.71 -2.03 0.00 0.00 175.02 173.76 3hei s TYR 40 N -2.81 3.43 0.09 3.16 1.51 -0.82 0.34 117.35 122.25 3hei s TYR 40 Ca -0.03 0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.59 3hei s TYR 40 Cb -0.00 -2.35 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 3hei s TYR 40 CO -0.05 0.18 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.97 3hei s SER 41 N 0.62 1.13 -0.03 2.29 1.04 0.13 0.02 113.70 118.88 3hei s SER 41 Ca 0.15 -0.93 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 3hei s SER 41 Cb -0.13 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.08 3hei s SER 41 CO 0.04 -0.42 0.18 0.54 0.98 0.00 0.00 173.24 174.56 3hei s VAL 42 N -3.26 0.04 -0.43 5.02 0.11 -0.69 -0.40 120.40 120.80 3hei s VAL 42 Ca 0.09 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 3hei s VAL 42 Cb 0.03 -0.38 0.33 0.00 -1.53 0.00 0.00 36.38 34.83 3hei s VAL 42 CO -0.04 -0.19 1.01 0.00 -3.33 0.00 0.00 175.10 172.55 3hei n ASN 44 N 0.34 5.54 -0.89 0.00 5.03 -1.25 -4.80 115.26 119.24 3hei n ASN 44 Ca 0.12 -3.12 0.10 0.00 0.87 0.00 0.00 54.58 52.55 3hei n ASN 44 Cb 0.69 -1.43 0.28 0.00 -1.02 0.00 0.00 39.78 38.29 3hei n ASN 44 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3hei n VAL 45 N 3.07 0.44 -0.10 2.41 0.24 -1.26 -4.33 118.33 118.79 3hei n VAL 45 Ca 0.32 -0.59 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 3hei n VAL 45 Cb 0.38 0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 33.24 3hei n VAL 45 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hei n MET 46 N 0.95 0.78 -4.50 7.34 2.81 -1.26 -3.34 117.12 119.89 3hei n MET 46 Ca 0.18 0.08 -0.34 0.00 -1.81 0.00 0.00 57.70 55.81 3hei n MET 46 Cb 0.46 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.39 3hei n MET 46 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hei s SER 47 N -5.79 4.38 0.38 7.83 1.04 -1.26 -4.74 113.70 115.53 3hei s SER 47 Ca -0.22 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3hei s SER 47 Cb 0.07 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.49 3hei s SER 47 CO 0.59 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.56 3hei n GLY 48 N 3.70 -0.28 2.86 7.32 0.00 -1.26 -4.58 105.19 112.95 3hei n GLY 48 Ca -0.18 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 3hei n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hei n ASP 49 N -1.46 -5.30 -4.80 1.61 10.43 -1.26 -4.97 116.55 110.79 3hei n ASP 49 Ca 0.00 -0.28 -0.36 0.00 2.57 0.00 0.00 54.79 56.72 3hei n ASP 49 Cb 0.00 -4.09 -0.06 0.00 1.84 0.00 0.00 41.12 38.81 3hei n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hei s GLN 50 N -5.61 4.37 -0.48 -1.24 -1.52 -1.25 -5.00 119.66 108.93 3hei s GLN 50 Ca 0.30 1.08 0.06 0.00 -1.95 0.00 0.00 55.36 54.85 3hei s GLN 50 Cb -0.13 -2.72 0.23 0.00 -0.22 0.00 0.00 33.01 30.17 3hei s GLN 50 CO 0.37 0.27 0.82 -3.47 -0.25 0.00 0.00 175.29 173.03 3hei n ASP 51 N 0.39 -2.66 -4.50 5.90 4.64 -1.20 -4.39 116.55 114.73 3hei n ASP 51 Ca 0.01 -3.18 -0.34 0.00 -1.38 0.00 0.00 54.79 49.90 3hei n ASP 51 Cb 0.51 1.55 -0.12 0.00 -1.04 0.00 0.00 41.12 42.02 3hei n ASP 51 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3hei s ASN 52 N -1.25 4.92 -0.12 1.67 0.01 0.21 -4.53 114.94 115.86 3hei s ASN 52 Ca 0.32 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 3hei s ASN 52 Cb 0.19 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 40.01 3hei s ASN 52 CO -0.21 0.14 -0.13 0.26 -1.51 0.00 0.00 177.10 175.65 3hei s TRP 53 N 0.57 2.81 -0.21 2.20 0.52 0.91 -0.10 118.94 125.64 3hei s TRP 53 Ca -0.01 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.57 3hei s TRP 53 Cb -0.14 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 3hei s TRP 53 CO 0.02 -0.14 -0.16 -1.17 0.02 0.00 0.00 176.95 175.52 3hei s LEU 54 N 0.20 2.61 -0.17 2.99 2.96 -0.10 -0.48 118.68 126.69 3hei s LEU 54 Ca -0.08 -0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 52.92 3hei s LEU 54 Cb -0.15 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3hei s LEU 54 CO 0.05 -0.07 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.36 3hei s ARG 55 N 1.24 3.54 1.07 1.98 3.52 -0.43 -0.63 118.95 129.24 3hei s ARG 55 Ca 0.00 -0.58 -0.12 0.00 -0.13 0.00 0.00 55.73 54.91 3hei s ARG 55 Cb -0.15 -2.89 0.23 0.00 -1.56 0.00 0.00 34.95 30.58 3hei s ARG 55 CO -0.10 0.12 1.07 0.95 -0.81 0.00 0.00 175.30 176.53 3hei s THR 56 N 0.65 2.09 1.16 4.11 -4.23 0.30 -2.79 115.64 116.93 3hei s THR 56 Ca -0.03 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.38 3hei s THR 56 Cb -0.15 -2.11 0.27 0.00 1.34 0.00 0.00 72.50 71.85 3hei s THR 56 CO 0.02 -0.04 0.95 -0.46 -0.54 0.00 0.00 174.62 174.55 3hei n ASN 57 N -4.63 -1.64 -4.75 3.99 6.94 -1.26 -4.71 115.26 109.20 3hei n ASN 57 Ca 0.06 -0.12 -0.41 0.00 -0.02 0.00 0.00 54.58 54.10 3hei n ASN 57 Cb 0.54 -1.25 -0.03 0.00 -2.36 0.00 0.00 39.78 36.67 3hei n ASN 57 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 3hei s TRP 58 N -2.41 3.35 -0.21 -2.53 -0.00 -1.26 -4.58 118.94 111.30 3hei s TRP 58 Ca 0.68 1.45 -0.02 0.00 -0.00 0.00 0.00 56.10 58.21 3hei s TRP 58 Cb -0.24 -3.48 0.01 0.00 -0.00 0.00 0.00 33.47 29.75 3hei s TRP 58 CO 0.65 -1.31 -0.10 0.08 -0.00 0.00 0.00 176.95 176.26 3hei s VAL 59 N -0.54 2.82 0.11 5.86 1.01 0.58 -4.94 120.40 125.30 3hei s VAL 59 Ca 0.51 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 3hei s VAL 59 Cb -0.35 -2.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 3hei s VAL 59 CO 0.42 0.44 1.86 0.00 0.00 0.00 0.00 175.10 177.82 3hei n TYR 60 N 4.72 2.62 0.09 5.22 9.36 -1.26 -0.80 117.16 137.10 3hei n TYR 60 Ca -0.19 -0.18 -0.07 0.00 3.32 0.00 0.00 57.90 60.78 3hei n TYR 60 Cb 0.50 -2.74 0.04 0.00 -0.63 0.00 0.00 39.34 36.51 3hei n TYR 60 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3hei h ARG 61 N 8.82 0.20 0.00 2.98 2.43 -1.70 -3.48 114.38 123.63 3hei h ARG 61 Ca -0.47 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3hei h ARG 61 Cb 1.22 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3hei h ARG 61 CO 0.95 0.87 0.00 0.41 -1.51 0.00 0.00 179.97 180.69 3hei n GLY 62 N 0.64 3.98 0.65 2.80 0.00 -1.26 -1.97 105.19 110.02 3hei n GLY 62 Ca -0.03 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3hei n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hei n GLU 63 N 13.93 1.63 -2.18 1.61 0.28 -1.26 -4.99 120.64 129.66 3hei n GLU 63 Ca 0.00 -3.19 -0.40 0.00 -0.16 0.00 0.00 57.16 53.41 3hei n GLU 63 Cb 0.00 -1.65 -0.02 0.00 1.43 0.00 0.00 31.44 31.20 3hei n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hei s ALA 64 N -3.19 3.39 -0.06 -1.84 0.00 -0.83 -4.96 121.76 114.27 3hei s ALA 64 Ca 0.39 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3hei s ALA 64 Cb 0.37 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3hei s ALA 64 CO -0.04 -0.59 -0.05 -1.91 0.00 0.00 0.00 175.76 173.17 3hei n GLU 65 N 0.62 0.14 -4.93 0.00 2.13 -1.26 -4.69 120.64 112.64 3hei n GLU 65 Ca 0.01 0.03 -0.31 0.00 0.66 0.00 0.00 57.16 57.56 3hei n GLU 65 Cb 0.43 -1.11 -0.17 0.00 0.27 0.00 0.00 31.44 30.86 3hei n GLU 65 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3hei s ARG 66 N -2.11 2.79 0.01 5.31 3.52 -1.26 0.10 118.95 127.31 3hei s ARG 66 Ca -0.08 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 3hei s ARG 66 Cb 0.02 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 3hei s ARG 66 CO 0.13 0.09 0.06 0.96 -0.81 0.00 0.00 175.30 175.73 3hei s ILE 67 N 0.56 4.56 -0.12 4.11 -4.36 0.05 -4.55 121.20 121.46 3hei s ILE 67 Ca -0.14 -0.51 -0.00 0.00 -0.26 0.00 0.00 60.65 59.73 3hei s ILE 67 Cb -0.17 -3.09 -0.02 0.00 1.25 0.00 0.00 42.46 40.43 3hei s ILE 67 CO 0.05 0.32 -0.11 -0.36 0.24 0.00 0.00 174.94 175.08 3hei s PHE 68 N -1.20 2.86 -0.23 1.37 0.40 0.51 -1.25 117.98 120.44 3hei s PHE 68 Ca 0.23 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3hei s PHE 68 Cb -0.12 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.64 3hei s PHE 68 CO 0.14 -0.05 -0.09 0.42 0.70 0.00 0.00 175.22 176.34 3hei s ILE 69 N 0.05 1.78 -0.20 0.64 1.01 0.89 -1.31 121.20 124.06 3hei s ILE 69 Ca -0.03 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.28 3hei s ILE 69 Cb -0.14 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3hei s ILE 69 CO 0.04 0.03 0.05 -0.70 0.00 0.00 0.00 174.94 174.36 3hei s GLU 70 N 1.30 3.85 -0.09 2.79 2.12 0.16 -1.47 118.70 127.36 3hei s GLU 70 Ca -0.05 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.90 3hei s GLU 70 Cb -0.18 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3hei s GLU 70 CO -0.07 0.14 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.12 3hei s LEU 71 N 0.71 2.54 -0.11 2.70 1.43 0.13 -1.28 118.68 124.80 3hei s LEU 71 Ca 0.03 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3hei s LEU 71 Cb -0.13 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3hei s LEU 71 CO 0.02 0.23 -0.15 -0.54 0.23 0.00 0.00 176.35 176.13 3hei s LYS 72 N -0.03 3.19 0.13 1.70 1.02 -0.39 -1.56 119.74 123.80 3hei s LYS 72 Ca -0.05 -0.72 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 3hei s LYS 72 Cb -0.14 -2.53 0.07 0.00 -0.52 0.00 0.00 37.83 34.70 3hei s LYS 72 CO 0.04 0.27 0.58 -0.59 -0.92 0.00 0.00 175.35 174.74 3hei s PHE 73 N 0.19 -0.51 0.18 3.18 -0.12 -0.75 0.03 117.98 120.17 3hei s PHE 73 Ca -0.09 0.39 0.08 0.00 -0.05 0.00 0.00 56.93 57.26 3hei s PHE 73 Cb -0.15 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 3hei s PHE 73 CO 0.05 -0.79 -0.06 0.95 -0.05 0.00 0.00 175.22 175.32 3hei s THR 74 N -3.38 3.38 -0.02 -4.49 -4.23 -0.19 -0.73 115.64 105.98 3hei s THR 74 Ca -0.01 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3hei s THR 74 Cb -0.01 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.15 3hei s THR 74 CO -0.10 -0.12 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.13 3hei s VAL 75 N -1.74 0.42 -0.07 2.29 1.01 -1.26 -1.78 120.40 119.26 3hei s VAL 75 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3hei s VAL 75 Cb -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3hei s VAL 75 CO 0.17 0.15 0.14 -0.60 0.00 0.00 0.00 175.10 174.95 3hei s ARG 76 N 0.28 3.37 0.04 2.72 3.52 -0.30 -0.21 118.95 128.37 3hei s ARG 76 Ca -0.03 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 3hei s ARG 76 Cb -0.07 -3.10 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 3hei s ARG 76 CO -0.00 0.73 1.52 0.34 -0.81 0.00 0.00 175.30 177.08 3hei s ASP 77 N -1.35 6.73 0.15 -2.12 2.15 0.13 -4.65 116.67 117.71 3hei s ASP 77 Ca 0.19 2.31 0.09 0.00 0.43 0.00 0.00 52.55 55.58 3hei s ASP 77 Cb -0.12 -2.56 0.51 0.00 -0.30 0.00 0.00 42.92 40.45 3hei s ASP 77 CO 0.09 -0.80 1.26 0.00 -0.17 0.00 0.00 175.17 175.56 3hei n ASN 79 N -1.82 2.85 -1.42 0.00 4.13 -1.26 -4.34 115.26 113.40 3hei n ASN 79 Ca -0.01 -1.91 0.09 0.00 1.68 0.00 0.00 54.58 54.44 3hei n ASN 79 Cb 0.06 -0.12 0.32 0.00 -1.54 0.00 0.00 39.78 38.50 3hei n ASN 79 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3hei n SER 80 N 1.15 4.19 -4.34 6.41 3.41 0.18 -4.91 113.62 119.72 3hei n SER 80 Ca 0.17 -2.31 -0.40 0.00 -0.26 0.00 0.00 58.87 56.07 3hei n SER 80 Cb 0.54 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 3hei n SER 80 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hei s PHE 81 N -1.67 3.27 0.49 7.33 0.40 -1.26 -4.80 117.98 121.73 3hei s PHE 81 Ca 0.46 -1.16 0.41 0.00 -0.60 0.00 0.00 56.93 56.04 3hei s PHE 81 Cb 0.28 -2.53 1.58 0.00 0.51 0.00 0.00 43.02 42.86 3hei s PHE 81 CO 0.24 -0.71 1.51 -2.30 0.70 0.00 0.00 175.22 174.67 3hei n PRO 82 N 4.95 -0.02 0.03 0.24 -0.02 -1.26 0.29 135.00 139.22 3hei n PRO 82 Ca -0.12 1.13 -0.19 0.00 -2.02 0.00 0.00 63.50 62.30 3hei n PRO 82 Cb 0.45 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 3hei n PRO 82 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3hei h GLY 83 N 0.00 0.71 0.00 -1.23 0.00 -2.01 -3.50 103.07 97.05 3hei h GLY 83 Ca 0.89 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hei h GLY 83 CO -0.22 1.08 0.00 0.61 0.00 0.00 0.00 176.54 178.01 3hei n GLY 84 N 1.05 2.20 2.82 4.60 0.00 0.15 -5.03 105.19 110.98 3hei n GLY 84 Ca -0.11 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3hei n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hei n ALA 85 N 0.00 -3.11 -0.23 4.61 0.00 -1.26 -4.66 120.51 115.86 3hei n ALA 85 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 53.44 54.41 3hei n ALA 85 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 19.45 16.22 3hei n ALA 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hei h SER 86 N 2.21 0.97 -1.17 0.00 0.87 -1.90 -3.36 113.55 111.17 3hei h SER 86 Ca 0.00 -0.24 -0.53 0.00 -1.23 0.00 0.00 61.79 59.79 3hei h SER 86 Cb 0.80 -0.26 -0.19 0.00 -0.44 0.00 0.00 62.40 62.32 3hei h SER 86 CO 0.18 0.96 0.49 -1.54 -0.53 0.00 0.00 176.83 176.39 3hei n SER 87 N -4.30 6.63 -4.25 6.23 3.41 -1.21 -4.84 113.62 115.28 3hei n SER 87 Ca 0.04 -3.29 -0.30 0.00 -0.26 0.00 0.00 58.87 55.06 3hei n SER 87 Cb 0.26 -1.20 -0.16 0.00 -0.26 0.00 0.00 64.21 62.85 3hei n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hei s LYS 89 N -0.32 1.28 -0.18 0.00 1.02 -0.46 -5.00 119.74 116.08 3hei s LYS 89 Ca 0.02 -1.64 0.13 0.00 0.02 0.00 0.00 55.97 54.51 3hei s LYS 89 Cb -0.11 -0.48 0.41 0.00 -0.52 0.00 0.00 37.83 37.13 3hei s LYS 89 CO 0.01 -0.12 1.21 0.39 -0.92 0.00 0.00 175.35 175.92 3hei n GLU 90 N -0.37 1.34 -4.23 1.68 1.02 -1.26 -4.22 120.64 114.61 3hei n GLU 90 Ca -0.05 -3.08 -0.13 0.00 -0.02 0.00 0.00 57.16 53.88 3hei n GLU 90 Cb 0.64 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.57 3hei n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hei s THR 91 N -2.75 0.31 0.10 2.62 -4.23 -1.26 -4.40 115.64 106.02 3hei s THR 91 Ca 0.37 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3hei s THR 91 Cb 0.37 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 3hei s THR 91 CO -0.08 -0.21 -0.01 0.72 -0.54 0.00 0.00 174.62 174.50 3hei s PHE 92 N -3.93 0.80 -0.03 3.99 -0.12 -0.85 -4.62 117.98 113.22 3hei s PHE 92 Ca 0.32 -1.07 -0.00 0.00 -0.05 0.00 0.00 56.93 56.12 3hei s PHE 92 Cb 0.07 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 3hei s PHE 92 CO 0.08 -0.34 0.02 -0.80 -0.05 0.00 0.00 175.22 174.13 3hei s ASN 93 N -3.02 5.29 -0.17 1.98 0.01 -0.10 -0.41 114.94 118.52 3hei s ASN 93 Ca 0.15 0.09 -0.06 0.00 -0.71 0.00 0.00 52.86 52.33 3hei s ASN 93 Cb 0.07 -1.46 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 3hei s ASN 93 CO -0.03 0.32 0.02 -0.22 -1.51 0.00 0.00 177.10 175.67 3hei s LEU 94 N -1.34 3.59 0.26 0.60 2.96 -0.37 -1.05 118.68 123.33 3hei s LEU 94 Ca 0.18 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3hei s LEU 94 Cb -0.12 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 3hei s LEU 94 CO 0.08 0.18 0.02 -0.31 -1.32 0.00 0.00 176.35 175.00 3hei s TYR 95 N 0.31 1.68 0.08 5.38 1.51 0.75 -0.14 117.35 126.93 3hei s TYR 95 Ca 0.00 -0.94 -0.10 0.00 -1.01 0.00 0.00 57.07 55.03 3hei s TYR 95 Cb -0.13 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3hei s TYR 95 CO 0.01 -0.03 0.22 1.52 -1.11 0.00 0.00 175.55 176.16 3hei s TYR 96 N -3.39 0.07 -0.03 2.71 -0.85 -0.86 -0.72 117.35 114.29 3hei s TYR 96 Ca 0.31 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.41 3hei s TYR 96 Cb 0.06 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.42 3hei s TYR 96 CO 0.11 -0.54 0.06 0.00 -1.52 0.00 0.00 175.55 173.66 3hei s ALA 97 N -3.53 -0.10 0.20 9.51 0.00 -0.78 -0.70 121.76 126.38 3hei s ALA 97 Ca 0.02 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 3hei s ALA 97 Cb 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3hei s ALA 97 CO -0.09 -0.07 0.51 -1.21 0.00 0.00 0.00 175.76 174.90 3hei s GLU 98 N 0.52 3.78 0.21 0.00 2.02 -1.26 -0.09 118.70 123.87 3hei s GLU 98 Ca -0.04 0.22 -0.19 0.00 0.02 0.00 0.00 54.97 54.98 3hei s GLU 98 Cb -0.06 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.49 3hei s GLU 98 CO -0.02 0.36 0.58 -1.54 0.02 0.00 0.00 175.26 174.66 3hei s SER 99 N -2.32 -0.31 0.00 -0.19 1.04 -0.63 -4.94 113.70 106.35 3hei s SER 99 Ca 0.45 -0.45 0.25 0.00 0.48 0.00 0.00 55.95 56.68 3hei s SER 99 Cb -0.12 0.62 0.39 0.00 0.10 0.00 0.00 66.02 67.01 3hei s SER 99 CO 0.22 -1.11 1.37 0.47 0.98 0.00 0.00 173.24 175.17 3hei n ASP 100 N -0.38 2.73 -3.86 7.02 8.00 -1.26 -2.00 116.55 126.80 3hei n ASP 100 Ca -0.09 -1.90 -0.09 0.00 0.71 0.00 0.00 54.79 53.41 3hei n ASP 100 Cb 0.62 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 3hei n ASP 100 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3hei s LEU 101 N -1.93 1.44 -0.19 0.64 2.34 -1.26 -4.79 118.68 114.92 3hei s LEU 101 Ca 0.31 -0.53 -0.22 0.00 0.06 0.00 0.00 54.13 53.76 3hei s LEU 101 Cb 0.20 0.96 -0.02 0.00 -0.56 0.00 0.00 46.19 46.78 3hei s LEU 101 CO 0.31 -0.64 0.68 -0.62 -1.06 0.00 0.00 176.35 175.02 3hei s ASP 102 N -2.48 6.75 0.00 1.48 2.15 -1.26 -4.91 116.67 118.40 3hei s ASP 102 Ca 0.00 0.92 0.20 0.00 0.43 0.00 0.00 52.55 54.10 3hei s ASP 102 Cb 0.02 -2.38 0.58 0.00 -0.30 0.00 0.00 42.92 40.85 3hei s ASP 102 CO -0.08 -0.31 1.46 -1.22 -0.17 0.00 0.00 175.17 174.86 3hei n TYR 103 N 5.12 0.37 0.00 -5.34 4.01 -1.26 -5.01 117.16 115.04 3hei n TYR 103 Ca 0.00 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3hei n TYR 103 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3hei n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hei n GLY 104 N 1.25 4.13 0.01 2.72 0.00 -1.26 -1.21 105.19 110.84 3hei n GLY 104 Ca 0.17 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3hei n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hei n THR 105 N 0.00 0.07 -1.54 2.61 -2.24 -1.26 -4.64 114.28 107.27 3hei n THR 105 Ca 0.00 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 3hei n THR 105 Cb 0.00 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 3hei n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hei n ASN 106 N -1.60 2.23 -4.21 3.42 5.03 -0.35 -4.93 115.26 114.85 3hei n ASN 106 Ca 0.06 -0.22 -0.35 0.00 0.87 0.00 0.00 54.58 54.94 3hei n ASN 106 Cb 0.35 -1.47 -0.14 0.00 -1.02 0.00 0.00 39.78 37.50 3hei n ASN 106 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3hei s PHE 107 N 10.71 3.20 -0.61 3.10 5.36 -1.26 -4.79 117.98 133.69 3hei s PHE 107 Ca 1.04 -1.66 -0.05 0.00 -0.96 0.00 0.00 56.93 55.31 3hei s PHE 107 Cb -0.40 -2.12 0.16 0.00 -0.34 0.00 0.00 43.02 40.32 3hei s PHE 107 CO 0.33 -0.76 0.44 -0.65 -1.46 0.00 0.00 175.22 173.12 3hei s GLN 108 N 1.31 2.61 0.52 10.12 -1.52 -1.26 -4.93 119.66 126.51 3hei s GLN 108 Ca -0.03 -2.39 0.22 0.00 -1.95 0.00 0.00 55.36 51.22 3hei s GLN 108 Cb -0.19 -3.81 1.33 0.00 -0.22 0.00 0.00 33.01 30.13 3hei s GLN 108 CO -0.01 -1.18 2.02 -0.22 -0.25 0.00 0.00 175.29 175.65 3hei h LYS 109 N 7.33 0.05 0.00 2.91 3.64 -1.99 -2.06 116.57 126.45 3hei h LYS 109 Ca -0.03 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3hei h LYS 109 Cb 0.98 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3hei h LYS 109 CO 0.73 0.03 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.62 3hei h ARG 110 N 0.05 0.00 0.00 1.90 2.43 -2.04 -3.06 114.38 113.66 3hei h ARG 110 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hei h ARG 110 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3hei h ARG 110 CO -0.01 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.95 3hei n LEU 111 N -3.37 0.00 -4.92 3.80 4.77 -0.77 -4.89 117.00 111.62 3hei n LEU 111 Ca 0.00 0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 3hei n LEU 111 Cb 0.44 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3hei n LEU 111 CO 0.33 -0.08 0.10 -0.36 -1.33 0.00 0.00 177.39 176.06 3hei s PHE 112 N -2.58 3.48 -0.06 -1.77 0.40 -1.16 -4.69 117.98 111.60 3hei s PHE 112 Ca 0.21 0.48 0.04 0.00 -0.60 0.00 0.00 56.93 57.06 3hei s PHE 112 Cb 0.15 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.71 3hei s PHE 112 CO 0.34 0.30 -0.18 0.99 0.70 0.00 0.00 175.22 177.37 3hei s THR 113 N -1.94 1.54 0.01 0.64 2.01 0.12 -4.94 115.64 113.08 3hei s THR 113 Ca 0.41 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 3hei s THR 113 Cb -0.11 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3hei s THR 113 CO 0.29 0.44 1.17 -0.75 -0.69 0.00 0.00 174.62 175.08 3hei s LYS 114 N 0.21 4.42 -0.15 4.92 2.20 -1.26 -2.03 119.74 128.05 3hei s LYS 114 Ca -0.09 1.69 -0.20 0.00 -0.36 0.00 0.00 55.97 57.01 3hei s LYS 114 Cb -0.14 -3.44 -0.17 0.00 -1.51 0.00 0.00 37.83 32.57 3hei s LYS 114 CO 0.04 -0.31 0.38 0.82 -0.36 0.00 0.00 175.35 175.92 3hei h ILE 115 N 4.74 1.05 -1.27 5.43 1.08 -0.88 -3.49 117.51 124.18 3hei h ILE 115 Ca -0.39 -1.93 0.30 0.00 -0.39 0.00 0.00 64.86 62.45 3hei h ILE 115 Cb 1.19 2.12 -0.19 0.00 -3.07 0.00 0.00 36.82 36.88 3hei h ILE 115 CO 0.83 0.35 0.89 -0.62 -0.69 0.00 0.00 178.15 178.92 3hei s ASP 116 N -6.24 -0.07 0.27 1.72 3.68 -1.16 -5.03 116.67 109.84 3hei s ASP 116 Ca -0.18 -0.01 -0.29 0.00 2.13 0.00 0.00 52.55 54.19 3hei s ASP 116 Cb 0.01 0.08 -0.10 0.00 -1.45 0.00 0.00 42.92 41.46 3hei s ASP 116 CO 0.50 -0.14 1.28 -0.89 0.13 0.00 0.00 175.17 176.05 3hei s THR 117 N -2.24 3.00 -0.23 1.71 2.01 -1.26 -1.24 115.64 117.39 3hei s THR 117 Ca 0.11 0.93 -0.04 0.00 0.31 0.00 0.00 61.69 63.00 3hei s THR 117 Cb -0.00 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.92 3hei s THR 117 CO -0.04 0.19 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.41 3hei s ILE 118 N -0.66 3.28 0.06 1.82 -1.09 0.46 -4.93 121.20 120.13 3hei s ILE 118 Ca 0.51 -0.64 0.07 0.00 -2.23 0.00 0.00 60.65 58.36 3hei s ILE 118 Cb -0.38 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3hei s ILE 118 CO 0.46 0.35 -0.13 0.00 -1.23 0.00 0.00 174.94 174.38 3hei s ALA 119 N 1.44 2.81 0.11 9.38 0.00 -1.26 -2.02 121.76 132.22 3hei s ALA 119 Ca 0.04 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3hei s ALA 119 Cb -0.15 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 3hei s ALA 119 CO -0.03 0.61 1.01 -1.25 0.00 0.00 0.00 175.76 176.10 3hei s PRO 120 N -1.77 4.64 0.26 0.00 0.04 -1.26 -4.96 135.00 131.95 3hei s PRO 120 Ca 0.18 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.88 3hei s PRO 120 Cb -0.11 -3.36 0.27 0.00 0.04 0.00 0.00 34.50 31.34 3hei s PRO 120 CO 0.09 0.11 1.55 -0.44 0.04 0.00 0.00 177.00 178.35 3hei h ASP 121 N 5.70 0.00 -3.48 6.66 3.45 -1.98 -3.42 116.42 123.35 3hei h ASP 121 Ca -0.43 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.43 3hei h ASP 121 Cb 1.21 0.00 -0.38 0.00 -0.56 0.00 0.00 39.33 39.61 3hei h ASP 121 CO 0.73 0.63 -0.80 -1.61 -1.57 0.00 0.00 179.24 176.62 3hei s GLU 122 N -3.33 1.77 0.04 3.56 0.41 -1.26 -5.12 118.70 114.78 3hei s GLU 122 Ca 0.00 -0.83 -0.15 0.00 -0.41 0.00 0.00 54.97 53.58 3hei s GLU 122 Cb 0.11 -2.40 -0.06 0.00 -1.78 0.00 0.00 34.13 30.00 3hei s GLU 122 CO 0.75 -0.49 0.47 -1.50 -0.49 0.00 0.00 175.26 174.00 3hei s ILE 123 N 1.44 4.94 0.01 -1.63 1.10 -1.26 -4.59 121.20 121.21 3hei s ILE 123 Ca -0.02 0.91 -0.27 0.00 -0.51 0.00 0.00 60.65 60.75 3hei s ILE 123 Cb -0.17 -3.76 -0.04 0.00 0.15 0.00 0.00 42.46 38.64 3hei s ILE 123 CO -0.07 0.51 0.87 -0.89 -2.11 0.00 0.00 174.94 173.24 3hei s THR 124 N -1.16 4.82 0.46 4.00 2.01 0.71 -4.87 115.64 121.61 3hei s THR 124 Ca 0.28 1.83 0.04 0.00 0.31 0.00 0.00 61.69 64.15 3hei s THR 124 Cb -0.17 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 3hei s THR 124 CO 0.16 0.25 0.03 0.68 -0.69 0.00 0.00 174.62 175.05 3hei s VAL 125 N 0.57 1.62 0.19 3.82 -7.23 -1.26 0.21 120.40 118.33 3hei s VAL 125 Ca 0.45 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.47 3hei s VAL 125 Cb -0.21 -2.59 0.17 0.00 0.56 0.00 0.00 36.38 34.31 3hei s VAL 125 CO 0.25 0.00 1.60 0.28 -0.31 0.00 0.00 175.10 176.92 3hei h SER 126 N 1.53 -0.90 -0.15 4.85 0.02 -1.94 -1.13 113.55 115.83 3hei h SER 126 Ca -0.44 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3hei h SER 126 Cb 1.28 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 3hei h SER 126 CO 0.77 -0.27 0.14 0.77 -1.14 0.00 0.00 176.83 177.10 3hei h SER 127 N -0.11 0.00 0.46 3.07 4.64 -1.99 -0.04 113.55 119.58 3hei h SER 127 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 3hei h SER 127 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3hei h SER 127 CO -0.65 0.00 -0.24 0.44 -0.87 0.00 0.00 176.83 175.51 3hei h ASP 128 N 0.00 0.00 -0.01 4.97 3.45 -1.54 -2.80 116.42 120.49 3hei h ASP 128 Ca 0.07 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.53 3hei h ASP 128 Cb 0.36 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3hei h ASP 128 CO -0.00 0.24 -0.01 -0.26 -1.57 0.00 0.00 179.24 177.64 3hei h PHE 129 N 0.00 0.02 -0.23 4.55 0.04 -1.06 -0.85 116.94 119.42 3hei h PHE 129 Ca -0.00 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3hei h PHE 129 Cb 0.53 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3hei h PHE 129 CO 0.00 0.46 -0.02 0.93 -0.60 0.00 0.00 178.31 179.09 3hei h GLU 130 N -0.42 0.34 -0.14 1.51 3.07 -1.60 -2.10 114.58 115.23 3hei h GLU 130 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3hei h GLU 130 Cb 0.46 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3hei h GLU 130 CO 0.00 0.38 0.00 0.00 -1.40 0.00 0.00 179.01 177.99 3hei n ALA 131 N -2.49 2.48 -3.98 3.43 0.00 -1.07 -4.95 120.51 113.93 3hei n ALA 131 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 3hei n ALA 131 Cb 0.21 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.72 3hei n ALA 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hei n ARG 132 N 0.98 -4.55 -3.19 0.00 1.74 -0.39 -4.93 116.66 106.33 3hei n ARG 132 Ca 0.17 0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 3hei n ARG 132 Cb 0.51 -5.23 -0.06 0.00 -1.02 0.00 0.00 32.46 26.65 3hei n ARG 132 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hei s HIS 133 N -3.42 3.37 -0.29 -1.55 2.46 -0.82 -5.06 115.29 109.98 3hei s HIS 133 Ca 0.54 0.83 -0.18 0.00 0.47 0.00 0.00 55.06 56.72 3hei s HIS 133 Cb -0.28 -2.73 -0.02 0.00 -0.13 0.00 0.00 32.58 29.42 3hei s HIS 133 CO 0.86 -0.15 0.53 0.08 -2.47 0.00 0.00 174.74 173.60 3hei s VAL 134 N 1.80 5.04 -0.69 0.89 1.01 -1.26 -4.78 120.40 122.41 3hei s VAL 134 Ca 0.26 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 3hei s VAL 134 Cb -0.16 -3.88 0.18 0.00 0.00 0.00 0.00 36.38 32.52 3hei s VAL 134 CO 0.10 -0.01 0.60 -0.54 0.00 0.00 0.00 175.10 175.25 3hei s LYS 135 N 2.37 3.16 -0.44 2.72 1.02 -1.26 -5.02 119.74 122.29 3hei s LYS 135 Ca 0.21 -2.23 -0.19 0.00 0.02 0.00 0.00 55.97 53.79 3hei s LYS 135 Cb -0.15 -4.22 0.03 0.00 -0.52 0.00 0.00 37.83 32.96 3hei s LYS 135 CO 0.10 -1.27 0.53 -1.17 -0.92 0.00 0.00 175.35 172.62 3hei s LEU 136 N 0.58 4.80 0.43 3.17 2.96 -1.26 -4.47 118.68 124.89 3hei s LEU 136 Ca 0.13 -0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 53.21 3hei s LEU 136 Cb -0.18 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 3hei s LEU 136 CO -0.04 -0.69 0.93 0.20 -1.32 0.00 0.00 176.35 175.43 3hei s ASN 137 N 2.03 6.88 -0.07 3.68 0.01 0.09 -4.86 114.94 122.69 3hei s ASN 137 Ca 0.15 1.63 0.03 0.00 -0.71 0.00 0.00 52.86 53.96 3hei s ASN 137 Cb -0.17 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.98 3hei s ASN 137 CO 0.15 -0.37 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.52 3hei s VAL 138 N -2.22 1.37 0.00 1.60 1.01 -1.26 -1.81 120.40 119.10 3hei s VAL 138 Ca 0.61 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3hei s VAL 138 Cb -0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3hei s VAL 138 CO 0.16 0.41 -0.06 -1.61 0.00 0.00 0.00 175.10 173.99 3hei s GLU 139 N 0.55 0.49 -0.00 2.72 0.41 -0.60 -4.96 118.70 117.30 3hei s GLU 139 Ca -0.15 -0.27 0.03 0.00 -0.41 0.00 0.00 54.97 54.18 3hei s GLU 139 Cb -0.16 -0.45 -0.01 0.00 -1.78 0.00 0.00 34.13 31.73 3hei s GLU 139 CO 0.05 0.12 -0.11 -2.00 -0.49 0.00 0.00 175.26 172.83 3hei s GLU 140 N -0.28 0.89 0.18 1.61 2.12 -1.26 0.19 118.70 122.15 3hei s GLU 140 Ca 0.01 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.95 3hei s GLU 140 Cb -0.03 -0.86 -0.05 0.00 0.26 0.00 0.00 34.13 33.45 3hei s GLU 140 CO -0.00 0.23 -0.03 1.03 -0.54 0.00 0.00 175.26 175.95 3hei s ARG 141 N -0.34 1.14 0.13 4.30 1.81 -0.54 -4.96 118.95 120.49 3hei s ARG 141 Ca 0.04 -1.53 0.05 0.00 -1.72 0.00 0.00 55.73 52.57 3hei s ARG 141 Cb -0.05 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 3hei s ARG 141 CO -0.00 -0.06 -0.12 -1.54 -0.68 0.00 0.00 175.30 172.90 3hei s SER 142 N -3.20 1.91 0.00 0.23 1.04 -1.26 -0.08 113.70 112.35 3hei s SER 142 Ca 0.22 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 3hei s SER 142 Cb 0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3hei s SER 142 CO 0.04 -0.22 0.05 -0.69 0.98 0.00 0.00 173.24 173.40 3hei s VAL 143 N -2.63 0.07 0.00 5.02 1.01 -0.38 -4.98 120.40 118.51 3hei s VAL 143 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3hei s VAL 143 Cb -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.09 3hei s VAL 143 CO 0.02 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.42 3hei n GLY 144 N 1.98 0.28 3.78 4.51 0.00 -1.26 -0.77 105.19 113.72 3hei n GLY 144 Ca -0.20 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 3hei n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hei s PRO 145 N -2.00 4.23 0.00 1.61 0.04 -1.26 -5.01 135.00 132.61 3hei s PRO 145 Ca 0.00 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 3hei s PRO 145 Cb 0.00 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3hei s PRO 145 CO 0.00 -0.07 0.29 -0.51 0.04 0.00 0.00 177.00 176.74 3hei s LEU 146 N -2.58 4.38 0.00 -3.56 1.43 0.29 -4.99 118.68 113.64 3hei s LEU 146 Ca 0.57 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 3hei s LEU 146 Cb -0.21 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.37 3hei s LEU 146 CO 0.26 0.26 0.00 0.35 0.23 0.00 0.00 176.35 177.46 3hei n THR 147 N 1.24 0.00 -3.06 5.49 -2.24 -1.26 -4.71 114.28 109.73 3hei n THR 147 Ca -0.12 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 3hei n THR 147 Cb 0.53 0.87 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 3hei n THR 147 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hei s ARG 148 N -0.77 3.17 0.60 -0.78 1.81 -1.26 -4.98 118.95 116.74 3hei s ARG 148 Ca 0.00 -0.45 0.30 0.00 -1.72 0.00 0.00 55.73 53.86 3hei s ARG 148 Cb 0.00 -2.58 1.71 0.00 -0.45 0.00 0.00 34.95 33.63 3hei s ARG 148 CO 0.00 -0.18 2.11 -0.22 -0.68 0.00 0.00 175.30 176.33 3hei h LYS 149 N 0.48 0.00 0.00 3.54 3.64 -1.87 -3.44 116.57 118.91 3hei h LYS 149 Ca -0.47 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 3hei h LYS 149 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3hei h LYS 149 CO 0.58 0.00 0.24 0.41 -2.27 0.00 0.00 179.45 178.41 3hei n GLY 150 N -1.37 1.17 3.40 5.01 0.00 -0.85 -2.00 105.19 110.54 3hei n GLY 150 Ca 0.01 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 3hei n GLY 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hei s PHE 151 N -4.54 -0.25 0.19 1.61 -0.12 0.02 -1.61 117.98 113.28 3hei s PHE 151 Ca 0.11 -0.05 0.09 0.00 -0.05 0.00 0.00 56.93 57.03 3hei s PHE 151 Cb -0.02 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 3hei s PHE 151 CO 0.05 -0.80 -0.09 0.71 -0.05 0.00 0.00 175.22 175.04 3hei s TYR 152 N -3.81 2.63 0.10 3.49 1.51 0.87 -0.31 117.35 121.82 3hei s TYR 152 Ca 0.04 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3hei s TYR 152 Cb 0.00 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 3hei s TYR 152 CO -0.09 0.53 0.02 -0.51 -1.11 0.00 0.00 175.55 174.39 3hei s LEU 153 N -2.94 3.54 0.01 -1.29 1.02 -1.26 -1.86 118.68 115.90 3hei s LEU 153 Ca 0.26 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.26 3hei s LEU 153 Cb -0.08 -2.25 -0.01 0.00 0.02 0.00 0.00 46.19 43.87 3hei s LEU 153 CO 0.16 0.16 -0.03 0.00 0.02 0.00 0.00 176.35 176.65 3hei s ALA 154 N -1.38 0.22 -0.16 4.21 0.00 0.11 -0.54 121.76 124.21 3hei s ALA 154 Ca 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 3hei s ALA 154 Cb -0.12 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3hei s ALA 154 CO 0.19 -0.03 -0.14 -0.06 0.00 0.00 0.00 175.76 175.72 3hei s PHE 155 N -0.72 2.80 -0.18 0.00 0.40 0.20 -0.18 117.98 120.31 3hei s PHE 155 Ca -0.06 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.18 3hei s PHE 155 Cb -0.05 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 3hei s PHE 155 CO -0.00 -0.49 -0.03 -1.14 0.70 0.00 0.00 175.22 174.25 3hei s GLN 156 N 0.89 3.56 -0.18 0.44 0.74 -0.22 -0.93 119.66 123.97 3hei s GLN 156 Ca -0.04 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 3hei s GLN 156 Cb -0.15 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3hei s GLN 156 CO -0.01 0.06 0.05 0.34 -0.55 0.00 0.00 175.29 175.18 3hei s ASP 157 N 0.84 5.55 0.00 6.67 -1.08 0.86 -0.93 116.67 128.58 3hei s ASP 157 Ca -0.01 0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.21 3hei s ASP 157 Cb -0.14 -1.95 0.17 0.00 -1.46 0.00 0.00 42.92 39.53 3hei s ASP 157 CO 0.02 0.17 1.01 2.30 0.52 0.00 0.00 175.17 179.19 3hei n ILE 158 N 3.54 0.28 0.00 4.11 -5.35 -1.26 -0.62 119.36 120.05 3hei n ILE 158 Ca -0.17 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 3hei n ILE 158 Cb 0.52 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 3hei n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hei n GLY 159 N 0.69 0.46 3.88 3.28 0.00 -1.26 -3.88 105.19 108.36 3hei n GLY 159 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3hei n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hei s ALA 160 N -0.19 4.32 -0.34 4.61 0.00 -1.26 -1.35 121.76 127.54 3hei s ALA 160 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.68 3hei s ALA 160 Cb 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 23.12 22.55 3hei s ALA 160 CO 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 175.76 175.46 3hei s VAL 162 N 1.10 0.32 -0.09 0.00 1.01 -0.46 -1.15 120.40 121.13 3hei s VAL 162 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3hei s VAL 162 Cb -0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3hei s VAL 162 CO -0.13 0.15 -0.11 0.00 0.00 0.00 0.00 175.10 175.00 3hei s ALA 163 N 0.60 2.77 -0.33 5.51 0.00 -0.73 -1.70 121.76 127.88 3hei s ALA 163 Ca -0.07 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 3hei s ALA 163 Cb -0.10 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3hei s ALA 163 CO -0.01 0.44 0.10 -1.17 0.00 0.00 0.00 175.76 175.12 3hei s LEU 164 N -0.34 4.20 -0.07 0.00 2.96 0.10 -1.02 118.68 124.51 3hei s LEU 164 Ca 0.04 -1.03 0.19 0.00 -0.22 0.00 0.00 54.13 53.11 3hei s LEU 164 Cb -0.13 -1.87 -0.24 0.00 0.50 0.00 0.00 46.19 44.45 3hei s LEU 164 CO 0.02 -0.29 0.43 0.18 -1.32 0.00 0.00 176.35 175.37 3hei n LEU 165 N 4.83 0.28 -3.72 -0.68 7.99 0.10 -1.94 117.00 123.85 3hei n LEU 165 Ca -0.13 0.12 -0.12 0.00 -0.01 0.00 0.00 56.01 55.87 3hei n LEU 165 Cb 0.45 0.22 -0.11 0.00 -0.11 0.00 0.00 43.42 43.88 3hei n LEU 165 CO 0.32 0.24 0.03 -0.55 -1.51 0.00 0.00 177.39 175.92 3hei s SER 166 N -5.30 -0.43 -0.17 -1.43 0.15 -1.02 -4.43 113.70 101.07 3hei s SER 166 Ca -0.07 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 3hei s SER 166 Cb 0.09 0.74 0.05 0.00 -1.71 0.00 0.00 66.02 65.19 3hei s SER 166 CO 0.85 -0.16 0.01 -0.69 1.20 0.00 0.00 173.24 174.45 3hei s VAL 167 N 0.74 0.63 -0.19 4.45 1.01 -1.26 -1.26 120.40 124.52 3hei s VAL 167 Ca -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3hei s VAL 167 Cb -0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3hei s VAL 167 CO -0.05 -0.09 -0.11 -0.60 0.00 0.00 0.00 175.10 174.25 3hei s ARG 168 N 1.82 3.26 -0.14 2.72 3.52 -0.40 -1.46 118.95 128.27 3hei s ARG 168 Ca -0.00 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 54.89 3hei s ARG 168 Cb -0.16 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 3hei s ARG 168 CO -0.07 -0.12 -0.11 0.08 -0.81 0.00 0.00 175.30 174.27 3hei s VAL 169 N 1.19 3.21 0.12 7.11 1.01 0.28 -0.66 120.40 132.66 3hei s VAL 169 Ca 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 3hei s VAL 169 Cb -0.14 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3hei s VAL 169 CO -0.04 0.51 0.24 -0.72 0.00 0.00 0.00 175.10 175.09 3hei s TYR 170 N 0.46 0.25 0.30 5.22 -0.85 -0.43 0.65 117.35 122.95 3hei s TYR 170 Ca -0.08 -0.65 0.07 0.00 -0.52 0.00 0.00 57.07 55.89 3hei s TYR 170 Cb -0.15 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.08 3hei s TYR 170 CO 0.04 -0.63 -0.07 1.52 -1.52 0.00 0.00 175.55 174.90 3hei s TYR 171 N -3.91 2.09 0.08 -3.49 -0.85 -0.75 -0.36 117.35 110.15 3hei s TYR 171 Ca 0.11 -0.65 0.03 0.00 -0.52 0.00 0.00 57.07 56.04 3hei s TYR 171 Cb 0.04 -1.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.14 3hei s TYR 171 CO -0.06 0.36 0.08 0.15 -1.52 0.00 0.00 175.55 174.56 3hei s LYS 172 N -3.70 2.88 0.02 -3.49 1.02 -1.26 -1.15 119.74 114.06 3hei s LYS 172 Ca 0.31 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.58 3hei s LYS 172 Cb 0.04 -2.73 -0.28 0.00 -0.52 0.00 0.00 37.83 34.34 3hei s LYS 172 CO 0.13 0.57 0.92 0.87 -0.92 0.00 0.00 175.35 176.92 3hei h LYS 173 N 3.31 0.25 -0.01 1.68 1.57 -1.99 -3.48 116.57 117.90 3hei h LYS 173 Ca -0.47 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 57.89 3hei h LYS 173 Cb 1.16 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3hei h LYS 173 CO 0.66 1.13 0.00 0.00 -0.57 0.00 0.00 179.45 180.66