#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 2.94 -0.01 2.62 1.01 -0.12 -4.96 120.40 121.89 3hei s VAL 2 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3hei s VAL 2 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3hei s VAL 2 CO 0.00 0.34 1.13 -0.69 0.00 0.00 0.00 175.10 175.88 3hei s VAL 3 N 1.38 4.36 -0.12 2.92 1.01 -1.26 -1.50 120.40 127.19 3hei s VAL 3 Ca 0.03 1.69 0.20 0.00 0.00 0.00 0.00 61.98 63.90 3hei s VAL 3 Cb -0.15 -4.08 -0.29 0.00 0.00 0.00 0.00 36.38 31.86 3hei s VAL 3 CO -0.05 0.07 0.26 0.18 0.00 0.00 0.00 175.10 175.56 3hei n LEU 4 N 4.48 0.01 -3.64 3.92 4.77 0.17 -4.97 117.00 121.73 3hei n LEU 4 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3hei n LEU 4 Cb 0.48 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.76 3hei n LEU 4 CO 0.54 0.27 0.38 -0.22 -1.33 0.00 0.00 177.39 177.03 3hei s LEU 5 N -5.05 -0.83 -0.27 2.23 2.96 -1.08 -4.87 118.68 111.78 3hei s LEU 5 Ca -0.09 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3hei s LEU 5 Cb 0.10 2.41 0.12 0.00 0.50 0.00 0.00 46.19 49.32 3hei s LEU 5 CO 0.87 -0.24 0.27 -0.62 -1.32 0.00 0.00 176.35 175.31 3hei s ASP 6 N 0.98 1.65 0.08 3.68 3.68 -1.26 -0.97 116.67 124.52 3hei s ASP 6 Ca -0.05 -0.63 -0.19 0.00 2.13 0.00 0.00 52.55 53.81 3hei s ASP 6 Cb -0.05 0.46 -0.09 0.00 -1.45 0.00 0.00 42.92 41.80 3hei s ASP 6 CO -0.09 -0.37 1.55 0.15 0.13 0.00 0.00 175.17 176.53 3hei h PHE 7 N 8.28 0.41 0.00 -5.34 3.57 -1.60 -2.96 116.94 119.30 3hei h PHE 7 Ca -0.15 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 3hei h PHE 7 Cb 1.09 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3hei h PHE 7 CO 0.24 0.52 -0.01 0.00 -2.23 0.00 0.00 178.31 176.84 3hei h ALA 8 N 0.84 1.01 0.00 2.41 0.00 -1.80 -1.30 119.26 120.41 3hei h ALA 8 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hei h ALA 8 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hei h ALA 8 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3hei n ALA 9 N -2.10 2.28 0.66 0.00 0.00 -1.12 -4.06 120.51 116.19 3hei n ALA 9 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3hei n ALA 9 Cb 0.28 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.49 2.44 -4.01 0.00 0.00 -0.49 -4.97 120.51 111.99 3hei n ALA 10 Ca 0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 3hei n ALA 10 Cb 0.32 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.40 -0.39 2.43 0.00 0.00 -1.26 -1.39 105.19 105.99 3hei n GLY 11 Ca 0.16 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.66 1.11 0.01 -0.02 0.00 -1.26 -4.86 105.19 98.50 3hei n GLY 12 Ca -0.07 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 0.02 -3.39 1.61 1.02 -0.48 -4.72 120.64 112.15 3hei n GLU 13 Ca -0.17 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.55 3hei n GLU 13 Cb 0.57 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 3hei n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hei s LEU 14 N -2.99 4.30 -1.04 -4.62 1.43 -1.26 -4.94 118.68 109.56 3hei s LEU 14 Ca 0.09 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3hei s LEU 14 Cb 0.17 -2.38 0.27 0.00 0.03 0.00 0.00 46.19 44.27 3hei s LEU 14 CO 0.80 -0.30 1.07 0.61 0.23 0.00 0.00 176.35 178.76 3hei n GLY 15 N 4.87 4.35 3.73 -3.19 0.00 -1.26 -5.08 105.19 108.61 3hei n GLY 15 Ca -0.09 -2.61 -0.38 0.00 0.00 0.00 0.00 46.02 42.94 3hei n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hei n TRP 16 N 2.31 2.06 -2.37 1.61 8.01 -1.26 -4.99 117.44 122.81 3hei n TRP 16 Ca 0.24 0.43 -0.41 0.00 -1.31 0.00 0.00 57.50 56.45 3hei n TRP 16 Cb 0.38 -2.32 -0.04 0.00 -2.01 0.00 0.00 31.31 27.33 3hei n TRP 16 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 3hei s LEU 17 N -3.53 4.48 0.05 -0.99 0.20 -0.99 -4.86 118.68 113.03 3hei s LEU 17 Ca 0.75 2.30 0.07 0.00 0.69 0.00 0.00 54.13 57.95 3hei s LEU 17 Cb -0.41 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 41.71 3hei s LEU 17 CO 0.46 -0.32 -0.21 0.42 -0.29 0.00 0.00 176.35 176.42 3hei s THR 18 N -0.52 1.66 0.00 3.68 -4.23 -1.26 -0.38 115.64 114.59 3hei s THR 18 Ca 0.50 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 3hei s THR 18 Cb -0.33 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 3hei s THR 18 CO 0.40 0.16 0.02 -2.28 -0.54 0.00 0.00 174.62 172.38 3hei s HIS 19 N -0.86 0.12 0.72 3.99 5.04 0.33 -4.29 115.29 120.33 3hei s HIS 19 Ca 0.07 -0.24 -0.12 0.00 -1.54 0.00 0.00 55.06 53.23 3hei s HIS 19 Cb -0.09 -0.09 0.03 0.00 0.04 0.00 0.00 32.58 32.46 3hei s HIS 19 CO 0.02 -0.14 1.09 -1.25 -2.34 0.00 0.00 174.74 172.12 3hei s PRO 20 N -0.89 2.58 0.07 2.88 0.04 -1.26 -0.55 135.00 137.87 3hei s PRO 20 Ca -0.10 1.19 -0.36 0.00 0.04 0.00 0.00 61.00 61.77 3hei s PRO 20 Cb -0.06 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 3hei s PRO 20 CO -0.00 -1.39 1.50 0.98 0.04 0.00 0.00 177.00 178.13 3hei n TYR 21 N -3.07 1.91 -0.91 0.56 9.36 -1.26 -1.73 117.16 122.01 3hei n TYR 21 Ca 0.09 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.75 3hei n TYR 21 Cb 0.53 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 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 3.13 0.43 3.37 2.98 0.00 -1.26 -4.99 105.19 108.85 3hei n GLY 22 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.64 1.38 2.70 1.61 1.02 -0.71 -5.07 119.74 120.03 3hei s LYS 23 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.50 3hei s LYS 23 Cb 0.00 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 3hei s LYS 23 CO 0.00 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 3hei n GLY 24 N 0.12 1.02 3.75 -3.33 0.00 -1.26 -4.38 105.19 101.11 3hei n GLY 24 Ca -0.12 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 3hei n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hei s TRP 25 N 0.00 2.84 0.04 1.61 0.52 -1.26 -4.74 118.94 117.94 3hei s TRP 25 Ca 0.00 0.94 0.07 0.00 0.02 0.00 0.00 56.10 57.13 3hei s TRP 25 Cb 0.00 -3.96 -0.02 0.00 -1.15 0.00 0.00 33.47 28.33 3hei s TRP 25 CO 0.00 -3.13 -0.21 -0.51 0.02 0.00 0.00 176.95 173.11 3hei s ASP 26 N 0.33 2.56 -0.17 2.95 1.01 0.40 -4.92 116.67 118.83 3hei s ASP 26 Ca 0.60 -0.52 -0.26 0.00 0.71 0.00 0.00 52.55 53.08 3hei s ASP 26 Cb -0.45 -0.22 -0.01 0.00 1.01 0.00 0.00 42.92 43.24 3hei s ASP 26 CO 0.48 0.18 0.88 -0.22 0.21 0.00 0.00 175.17 176.70 3hei s LEU 27 N -1.12 4.17 0.29 1.23 2.96 -1.26 -0.94 118.68 124.02 3hei s LEU 27 Ca 0.08 1.24 0.11 0.00 -0.22 0.00 0.00 54.13 55.34 3hei s LEU 27 Cb -0.09 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3hei s LEU 27 CO 0.02 -0.44 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.43 3hei s MET 28 N 2.26 1.83 -0.05 1.98 -1.94 0.21 -4.95 119.30 118.63 3hei s MET 28 Ca 0.40 -1.72 0.04 0.00 -1.71 0.00 0.00 55.69 52.70 3hei s MET 28 Cb -0.17 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 34.83 3hei s MET 28 CO 0.12 0.31 -0.17 -0.65 -0.01 0.00 0.00 175.02 174.63 3hei s GLN 29 N -3.56 1.87 0.18 2.03 -0.21 -1.26 -0.93 119.66 117.78 3hei s GLN 29 Ca 0.31 -0.59 -0.09 0.00 0.02 0.00 0.00 55.36 55.01 3hei s GLN 29 Cb -0.04 -1.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.37 3hei s GLN 29 CO 0.16 0.19 0.29 -0.80 -2.12 0.00 0.00 175.29 173.02 3hei s ASN 30 N 0.20 0.04 -0.15 5.90 0.01 -0.18 -4.99 114.94 115.76 3hei s ASN 30 Ca -0.07 -0.94 -0.03 0.00 -0.71 0.00 0.00 52.86 51.11 3hei s ASN 30 Cb -0.13 0.45 -0.02 0.00 0.41 0.00 0.00 41.25 41.96 3hei s ASN 30 CO 0.03 -0.92 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.01 3hei s ILE 31 N -4.00 3.66 -0.07 0.60 1.01 -1.26 0.32 121.20 121.47 3hei s ILE 31 Ca 0.20 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3hei s ILE 31 Cb 0.03 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.92 3hei s ILE 31 CO 0.03 0.49 -0.11 -0.32 0.00 0.00 0.00 174.94 175.03 3hei s MET 32 N 0.44 1.56 -1.36 2.79 1.75 0.39 -4.82 119.30 120.06 3hei s MET 32 Ca -0.05 -0.36 -0.03 0.00 -1.25 0.00 0.00 55.69 54.00 3hei s MET 32 Cb -0.15 -1.34 0.02 0.00 2.84 0.00 0.00 34.83 36.20 3hei s MET 32 CO 0.03 -0.01 0.76 0.09 -0.65 0.00 0.00 175.02 175.24 3hei n ASN 33 N 3.93 -1.98 -1.37 1.11 3.02 -1.26 -1.27 115.26 117.43 3hei n ASN 33 Ca -0.22 -0.81 -0.17 0.00 -0.03 0.00 0.00 54.58 53.34 3hei n ASN 33 Cb 0.51 -4.01 -0.07 0.00 -0.61 0.00 0.00 39.78 35.60 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 -3.01 -5.25 -4.30 6.41 8.00 -1.26 -4.98 116.55 112.16 3hei n ASP 34 Ca -0.22 0.43 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3hei n ASP 34 Cb 0.64 -4.45 -0.16 0.00 -0.02 0.00 0.00 41.12 37.14 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 -3.45 2.67 0.09 -1.24 -1.94 -0.40 -5.12 119.30 109.92 3hei s MET 35 Ca 0.00 -0.86 -0.31 0.00 -1.71 0.00 0.00 55.69 52.82 3hei s MET 35 Cb 0.00 -2.25 -0.07 0.00 2.01 0.00 0.00 34.83 34.52 3hei s MET 35 CO 0.00 0.38 1.30 -1.25 -0.01 0.00 0.00 175.02 175.44 3hei s PRO 36 N -0.14 4.37 0.17 2.03 0.04 -1.26 -0.46 135.00 139.74 3hei s PRO 36 Ca -0.04 1.93 0.04 0.00 0.04 0.00 0.00 61.00 62.98 3hei s PRO 36 Cb -0.14 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 3hei s PRO 36 CO 0.04 -0.36 -0.08 0.96 0.04 0.00 0.00 177.00 177.60 3hei s ILE 37 N 1.14 1.15 0.30 0.56 -4.36 0.15 -4.92 121.20 115.21 3hei s ILE 37 Ca 0.62 -2.06 0.09 0.00 -0.26 0.00 0.00 60.65 59.04 3hei s ILE 37 Cb -0.33 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 3hei s ILE 37 CO 0.30 -0.64 0.03 -0.31 0.24 0.00 0.00 174.94 174.55 3hei s TYR 38 N -3.34 2.66 0.07 1.37 1.51 -1.26 -1.01 117.35 117.34 3hei s TYR 38 Ca 0.20 -0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 55.69 3hei s TYR 38 Cb 0.03 -1.34 0.08 0.00 -0.11 0.00 0.00 41.96 40.61 3hei s TYR 38 CO 0.03 0.53 0.67 0.00 -1.11 0.00 0.00 175.55 175.67 3hei s MET 39 N -3.72 1.14 -0.17 -0.62 0.23 -0.11 -4.78 119.30 111.28 3hei s MET 39 Ca 0.33 -0.20 -0.13 0.00 -1.03 0.00 0.00 55.69 54.66 3hei s MET 39 Cb -0.04 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.74 3hei s MET 39 CO 0.20 -0.45 0.25 0.71 -2.03 0.00 0.00 175.02 173.70 3hei s TYR 40 N -2.78 3.45 0.06 3.16 1.51 -0.71 0.64 117.35 122.67 3hei s TYR 40 Ca -0.02 0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.58 3hei s TYR 40 Cb -0.01 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 3hei s TYR 40 CO -0.05 0.25 -0.06 0.45 -1.11 0.00 0.00 175.55 175.03 3hei s SER 41 N 0.44 0.87 -0.09 2.29 0.15 -0.11 -0.10 113.70 117.15 3hei s SER 41 Ca 0.14 -0.76 -0.19 0.00 0.70 0.00 0.00 55.95 55.85 3hei s SER 41 Cb -0.12 0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3hei s SER 41 CO 0.02 -0.35 0.45 0.54 1.20 0.00 0.00 173.24 175.11 3hei s VAL 42 N -2.46 0.02 -0.37 4.45 0.11 -0.36 -0.45 120.40 121.35 3hei s VAL 42 Ca -0.01 -0.17 0.12 0.00 -2.93 0.00 0.00 61.98 58.99 3hei s VAL 42 Cb -0.03 -0.71 0.41 0.00 -1.53 0.00 0.00 36.38 34.53 3hei s VAL 42 CO -0.03 -0.09 1.27 0.00 -3.33 0.00 0.00 175.10 172.92 3hei n ASN 44 N -0.59 5.42 -0.96 0.00 5.03 -1.25 -4.79 115.26 118.11 3hei n ASN 44 Ca -0.02 -3.14 0.12 0.00 0.87 0.00 0.00 54.58 52.42 3hei n ASN 44 Cb 0.84 -1.45 0.22 0.00 -1.02 0.00 0.00 39.78 38.38 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 3.16 0.25 -0.12 2.41 0.24 -1.26 -4.36 118.33 118.64 3hei n VAL 45 Ca 0.35 -0.57 -0.20 0.00 -2.04 0.00 0.00 64.34 61.88 3hei n VAL 45 Cb 0.37 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 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 1.19 0.56 -3.62 7.34 2.81 -1.26 -1.94 117.12 122.21 3hei n MET 46 Ca 0.17 0.17 -0.38 0.00 -1.81 0.00 0.00 57.70 55.86 3hei n MET 46 Cb 0.55 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 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 -6.65 6.64 0.15 7.83 1.04 -1.26 -4.05 113.70 117.40 3hei s SER 47 Ca -0.33 0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3hei s SER 47 Cb 0.10 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 64.03 3hei s SER 47 CO 0.50 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.66 3hei n GLY 48 N 2.04 -0.65 2.52 7.32 0.00 -1.26 -4.50 105.19 110.65 3hei n GLY 48 Ca -0.15 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.48 -4.82 -4.73 1.61 10.43 -1.26 -4.96 116.55 112.34 3hei n ASP 49 Ca 0.00 0.20 -0.41 0.00 2.57 0.00 0.00 54.79 57.14 3hei n ASP 49 Cb 0.00 -3.03 -0.03 0.00 1.84 0.00 0.00 41.12 39.90 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 -2.40 4.41 -0.45 -1.24 -1.52 -1.26 -4.97 119.66 112.24 3hei s GLN 50 Ca 0.00 1.97 0.07 0.00 -1.95 0.00 0.00 55.36 55.45 3hei s GLN 50 Cb 0.00 -3.23 0.26 0.00 -0.22 0.00 0.00 33.01 29.81 3hei s GLN 50 CO 0.00 -0.23 0.77 -3.47 -0.25 0.00 0.00 175.29 172.11 3hei n ASP 51 N 2.94 -1.55 -4.66 5.90 4.64 -1.24 -4.37 116.55 118.20 3hei n ASP 51 Ca 0.07 -3.11 -0.35 0.00 -1.38 0.00 0.00 54.79 50.02 3hei n ASP 51 Cb 0.44 0.83 -0.09 0.00 -1.04 0.00 0.00 41.12 41.25 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 -1.52 5.88 -0.01 1.67 0.01 -0.54 -4.46 114.94 115.98 3hei s ASN 52 Ca 0.33 0.11 0.08 0.00 -0.71 0.00 0.00 52.86 52.67 3hei s ASN 52 Cb 0.22 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 3hei s ASN 52 CO -0.17 0.14 -0.25 0.26 -1.51 0.00 0.00 177.10 175.56 3hei s TRP 53 N 0.62 2.22 -0.12 2.20 0.52 0.29 -0.60 118.94 124.07 3hei s TRP 53 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.76 3hei s TRP 53 Cb -0.12 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.81 3hei s TRP 53 CO 0.01 -0.00 -0.11 -1.17 0.02 0.00 0.00 176.95 175.70 3hei s LEU 54 N -0.72 1.42 -0.08 2.99 2.96 -0.37 -0.51 118.68 124.36 3hei s LEU 54 Ca 0.10 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3hei s LEU 54 Cb -0.10 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3hei s LEU 54 CO -0.00 -0.08 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.15 3hei s ARG 55 N 1.51 2.53 1.00 1.98 3.52 0.49 -0.19 118.95 129.79 3hei s ARG 55 Ca 0.03 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 54.79 3hei s ARG 55 Cb -0.13 -1.97 0.19 0.00 -1.56 0.00 0.00 34.95 31.48 3hei s ARG 55 CO -0.08 0.15 1.08 0.95 -0.81 0.00 0.00 175.30 176.60 3hei s THR 56 N 0.38 2.27 1.05 4.11 -4.23 -0.35 -2.36 115.64 116.51 3hei s THR 56 Ca -0.16 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 3hei s THR 56 Cb -0.17 -2.33 0.22 0.00 1.34 0.00 0.00 72.50 71.57 3hei s THR 56 CO 0.07 -0.12 1.07 0.54 -0.54 0.00 0.00 174.62 175.64 3hei s ASN 57 N -2.95 1.91 0.35 3.99 4.22 -1.26 -4.71 114.94 116.48 3hei s ASN 57 Ca 0.66 1.68 -0.28 0.00 -2.14 0.00 0.00 52.86 52.78 3hei s ASN 57 Cb -0.21 -2.34 -0.11 0.00 1.28 0.00 0.00 41.25 39.87 3hei s ASN 57 CO 0.60 -3.65 1.41 0.86 -2.04 0.00 0.00 177.10 174.28 3hei s TRP 58 N -2.60 2.81 -0.21 1.54 -0.00 -1.26 -4.67 118.94 114.54 3hei s TRP 58 Ca 0.67 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 58.03 3hei s TRP 58 Cb -0.23 -3.87 0.02 0.00 -0.00 0.00 0.00 33.47 29.39 3hei s TRP 58 CO 0.61 -2.51 -0.14 0.08 -0.00 0.00 0.00 176.95 174.99 3hei s VAL 59 N -1.04 2.40 0.10 5.86 1.01 0.16 -4.95 120.40 123.94 3hei s VAL 59 Ca 0.52 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3hei s VAL 59 Cb -0.43 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 3hei s VAL 59 CO 0.57 0.39 1.83 -0.47 0.00 0.00 0.00 175.10 177.42 3hei s TYR 60 N 1.30 2.01 0.15 5.22 5.04 -1.26 -1.38 117.35 128.44 3hei s TYR 60 Ca 0.02 -0.06 0.12 0.00 -2.44 0.00 0.00 57.07 54.72 3hei s TYR 60 Cb -0.15 -4.16 0.26 0.00 0.35 0.00 0.00 41.96 38.26 3hei s TYR 60 CO -0.09 -4.86 1.54 -0.09 -1.34 0.00 0.00 175.55 170.71 3hei h ARG 61 N 8.96 0.00 0.00 4.97 2.43 -1.49 -3.48 114.38 125.77 3hei h ARG 61 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3hei h ARG 61 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hei h ARG 61 CO 0.94 0.64 0.00 0.41 -1.51 0.00 0.00 179.97 180.45 3hei n GLY 62 N 0.64 3.58 1.18 2.80 0.00 -1.26 -1.81 105.19 110.32 3hei n GLY 62 Ca -0.00 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 14.00 2.84 -1.74 1.61 0.28 -1.26 -5.00 120.64 131.37 3hei n GLU 63 Ca 0.00 -2.53 -0.42 0.00 -0.16 0.00 0.00 57.16 54.05 3hei n GLU 63 Cb 0.00 -1.52 -0.01 0.00 1.43 0.00 0.00 31.44 31.34 3hei n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hei n ALA 64 N 1.30 2.34 -0.06 -1.84 0.00 -0.75 -4.91 120.51 116.59 3hei n ALA 64 Ca 0.21 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.93 3hei n ALA 64 Cb 0.59 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.56 3hei n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hei n GLU 65 N 1.80 0.29 -4.87 0.00 2.13 -1.26 -4.67 120.64 114.06 3hei n GLU 65 Ca 0.07 0.08 -0.31 0.00 0.66 0.00 0.00 57.16 57.66 3hei n GLU 65 Cb 0.37 -1.16 -0.17 0.00 0.27 0.00 0.00 31.44 30.75 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 -2.23 2.84 0.16 5.31 3.52 -1.26 0.01 118.95 127.30 3hei s ARG 66 Ca -0.16 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 54.70 3hei s ARG 66 Cb 0.05 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.16 3hei s ARG 66 CO 0.26 0.06 0.05 0.96 -0.81 0.00 0.00 175.30 175.82 3hei s ILE 67 N 0.63 4.07 -0.05 4.11 -4.36 -0.19 -4.59 121.20 120.81 3hei s ILE 67 Ca -0.12 -1.22 0.06 0.00 -0.26 0.00 0.00 60.65 59.10 3hei s ILE 67 Cb -0.16 -3.04 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 3hei s ILE 67 CO 0.03 -0.07 -0.22 -0.36 0.24 0.00 0.00 174.94 174.56 3hei s PHE 68 N -1.67 2.49 -0.21 1.37 0.40 0.47 -1.23 117.98 119.61 3hei s PHE 68 Ca 0.28 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3hei s PHE 68 Cb -0.10 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.88 3hei s PHE 68 CO 0.20 -0.10 -0.02 0.42 0.70 0.00 0.00 175.22 176.42 3hei s ILE 69 N -0.33 1.13 -0.14 0.64 1.01 0.95 -1.00 121.20 123.47 3hei s ILE 69 Ca 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3hei s ILE 69 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3hei s ILE 69 CO 0.02 -0.09 -0.00 -0.70 0.00 0.00 0.00 174.94 174.16 3hei s GLU 70 N 1.59 3.51 -0.05 2.79 2.12 0.80 -1.42 118.70 128.03 3hei s GLU 70 Ca -0.03 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3hei s GLU 70 Cb -0.18 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3hei s GLU 70 CO -0.07 0.40 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.33 3hei s LEU 71 N -0.04 1.99 -0.10 2.70 1.43 0.06 -0.36 118.68 124.36 3hei s LEU 71 Ca 0.03 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3hei s LEU 71 Cb -0.13 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.92 3hei s LEU 71 CO 0.02 0.20 -0.24 -0.54 0.23 0.00 0.00 176.35 176.02 3hei s LYS 72 N -0.08 3.00 0.08 1.70 1.02 -0.57 -1.28 119.74 123.61 3hei s LYS 72 Ca -0.03 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.82 3hei s LYS 72 Cb -0.12 -2.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 3hei s LYS 72 CO 0.03 0.21 0.64 -0.59 -0.92 0.00 0.00 175.35 174.72 3hei s PHE 73 N 0.27 -0.57 0.26 3.18 -0.12 -0.25 -0.34 117.98 120.41 3hei s PHE 73 Ca -0.17 0.60 0.09 0.00 -0.05 0.00 0.00 56.93 57.40 3hei s PHE 73 Cb -0.17 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 3hei s PHE 73 CO 0.08 -0.75 0.01 0.95 -0.05 0.00 0.00 175.22 175.46 3hei s THR 74 N -2.83 3.53 -0.03 -4.49 -4.23 0.06 -0.43 115.64 107.22 3hei s THR 74 Ca -0.03 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3hei s THR 74 Cb -0.01 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.96 3hei s THR 74 CO -0.05 -0.35 0.09 -0.69 -0.54 0.00 0.00 174.62 173.07 3hei s VAL 75 N -2.26 0.00 -0.10 2.29 1.01 -1.26 -2.18 120.40 117.90 3hei s VAL 75 Ca 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 3hei s VAL 75 Cb -0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3hei s VAL 75 CO 0.20 -0.01 0.09 -0.60 0.00 0.00 0.00 175.10 174.78 3hei s ARG 76 N 0.01 3.27 0.25 2.72 3.52 -0.04 -0.23 118.95 128.46 3hei s ARG 76 Ca -0.00 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.05 3hei s ARG 76 Cb -0.01 -3.04 -0.12 0.00 -1.56 0.00 0.00 34.95 30.22 3hei s ARG 76 CO 0.00 0.75 1.60 -3.47 -0.81 0.00 0.00 175.30 173.37 3hei n ASP 77 N 1.98 3.68 0.16 -2.12 2.03 0.67 -4.60 116.55 118.36 3hei n ASP 77 Ca -0.19 1.12 0.13 0.00 0.52 0.00 0.00 54.79 56.37 3hei n ASP 77 Cb 0.54 -1.55 0.56 0.00 -0.72 0.00 0.00 41.12 39.95 3hei n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hei n ASN 79 N -2.38 4.54 -1.41 0.00 5.03 -1.26 -4.37 115.26 115.41 3hei n ASN 79 Ca 0.01 -3.26 0.04 0.00 0.87 0.00 0.00 54.58 52.24 3hei n ASN 79 Cb 0.20 -0.72 0.30 0.00 -1.02 0.00 0.00 39.78 38.54 3hei n ASN 79 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hei n SER 80 N -0.29 4.44 -4.35 6.41 3.41 -0.74 -4.96 113.62 117.54 3hei n SER 80 Ca 0.39 -3.11 -0.35 0.00 -0.26 0.00 0.00 58.87 55.54 3hei n SER 80 Cb 1.32 -0.63 -0.14 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.89 2.96 0.33 7.33 0.40 -1.26 -4.76 117.98 120.09 3hei s PHE 81 Ca 0.48 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 56.12 3hei s PHE 81 Cb 0.39 -2.07 0.79 0.00 0.51 0.00 0.00 43.02 42.64 3hei s PHE 81 CO 0.11 -0.43 1.81 -1.35 0.70 0.00 0.00 175.22 176.06 3hei h PRO 82 N 7.80 0.70 -0.13 0.24 0.11 -1.98 0.48 132.00 139.22 3hei h PRO 82 Ca -0.38 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3hei h PRO 82 Cb 1.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3hei h PRO 82 CO 0.60 0.46 -0.08 0.41 -0.21 0.00 0.00 178.00 179.18 3hei n GLY 83 N -1.38 -0.40 0.45 -0.55 0.00 -1.26 -4.85 105.19 97.21 3hei n GLY 83 Ca 0.22 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3hei n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hei n GLY 84 N -1.03 2.85 2.48 -0.02 0.00 0.17 -4.99 105.19 104.64 3hei n GLY 84 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.54 -0.98 4.61 0.00 -1.26 -4.78 120.51 114.56 3hei n ALA 85 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 53.44 54.82 3hei n ALA 85 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 16.75 3hei n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hei n SER 86 N 1.08 0.00 -3.74 0.00 2.88 -1.23 -4.26 113.62 108.36 3hei n SER 86 Ca -0.21 0.45 -0.42 0.00 -1.33 0.00 0.00 58.87 57.36 3hei n SER 86 Cb 0.32 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 3hei n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hei n SER 87 N -0.52 5.46 -4.58 -3.46 3.41 -0.82 -4.84 113.62 108.27 3hei n SER 87 Ca 0.00 -3.02 -0.34 0.00 -0.26 0.00 0.00 58.87 55.25 3hei n SER 87 Cb 0.00 -1.51 -0.11 0.00 -0.26 0.00 0.00 64.21 62.33 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 -0.35 1.94 -0.14 0.00 -0.14 0.15 -4.99 119.74 116.21 3hei s LYS 89 Ca 0.06 -2.10 0.15 0.00 -1.36 0.00 0.00 55.97 52.71 3hei s LYS 89 Cb -0.12 -1.57 0.38 0.00 -1.68 0.00 0.00 37.83 34.83 3hei s LYS 89 CO 0.02 -0.07 1.19 0.39 -0.76 0.00 0.00 175.35 176.12 3hei n GLU 90 N -0.96 1.14 -4.24 1.68 1.02 -1.26 -4.24 120.64 113.79 3hei n GLU 90 Ca -0.05 -2.81 -0.14 0.00 -0.02 0.00 0.00 57.16 54.14 3hei n GLU 90 Cb 0.67 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 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 -2.38 0.26 0.29 2.62 -4.23 -1.26 -4.37 115.64 106.58 3hei s THR 91 Ca 0.34 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3hei s THR 91 Cb 0.34 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3hei s THR 91 CO -0.07 -0.08 0.24 0.72 -0.54 0.00 0.00 174.62 174.89 3hei s PHE 92 N -3.96 1.53 -0.05 3.99 -0.12 -0.70 -4.66 117.98 114.01 3hei s PHE 92 Ca 0.36 -1.55 0.07 0.00 -0.05 0.00 0.00 56.93 55.76 3hei s PHE 92 Cb 0.07 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 3hei s PHE 92 CO 0.11 -0.81 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.42 3hei s ASN 93 N -3.30 3.07 -0.17 1.98 0.01 -0.39 -0.16 114.94 115.99 3hei s ASN 93 Ca 0.40 -0.50 -0.07 0.00 -0.71 0.00 0.00 52.86 51.98 3hei s ASN 93 Cb 0.04 -0.69 -0.04 0.00 0.41 0.00 0.00 41.25 40.96 3hei s ASN 93 CO 0.22 0.27 0.08 -0.22 -1.51 0.00 0.00 177.10 175.94 3hei s LEU 94 N -0.30 3.92 0.15 0.60 2.96 -0.38 -1.07 118.68 124.56 3hei s LEU 94 Ca 0.01 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3hei s LEU 94 Cb -0.13 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3hei s LEU 94 CO 0.02 0.23 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.86 3hei s TYR 95 N 0.05 1.33 0.26 5.38 1.51 -0.28 0.99 117.35 126.58 3hei s TYR 95 Ca 0.06 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 3hei s TYR 95 Cb -0.12 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3hei s TYR 95 CO 0.01 0.13 0.23 1.52 -1.11 0.00 0.00 175.55 176.32 3hei s TYR 96 N -3.03 1.29 -0.17 2.71 -0.00 -0.80 -1.42 117.35 115.95 3hei s TYR 96 Ca 0.15 -1.42 -0.15 0.00 -0.00 0.00 0.00 57.07 55.65 3hei s TYR 96 Cb 0.01 -0.52 0.04 0.00 -0.00 0.00 0.00 41.96 41.49 3hei s TYR 96 CO 0.02 -0.78 0.44 0.00 -0.00 0.00 0.00 175.55 175.23 3hei s ALA 97 N -3.83 -1.10 0.03 9.51 0.00 -0.40 -0.64 121.76 125.33 3hei s ALA 97 Ca 0.38 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 3hei s ALA 97 Cb 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3hei s ALA 97 CO 0.18 -0.21 0.25 -1.21 0.00 0.00 0.00 175.76 174.77 3hei s GLU 98 N 0.26 3.53 0.15 0.00 2.02 -1.26 -0.41 118.70 123.00 3hei s GLU 98 Ca -0.00 -0.19 -0.23 0.00 0.02 0.00 0.00 54.97 54.57 3hei s GLU 98 Cb -0.03 -3.05 0.07 0.00 0.10 0.00 0.00 34.13 31.22 3hei s GLU 98 CO 0.00 0.63 0.60 -1.54 0.02 0.00 0.00 175.26 174.97 3hei s SER 99 N -1.96 -0.57 0.32 -0.19 1.04 -0.29 -4.94 113.70 107.11 3hei s SER 99 Ca 0.30 0.01 0.17 0.00 0.48 0.00 0.00 55.95 56.91 3hei s SER 99 Cb -0.13 0.60 0.29 0.00 0.10 0.00 0.00 66.02 66.88 3hei s SER 99 CO 0.19 -0.96 1.55 0.44 0.98 0.00 0.00 173.24 175.44 3hei h ASP 100 N 2.03 0.00 -3.44 7.02 3.32 -1.93 -1.82 116.42 121.60 3hei h ASP 100 Ca -0.34 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.08 3hei h ASP 100 Cb 1.31 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.66 3hei h ASP 100 CO 0.38 0.44 -0.83 -1.48 -1.72 0.00 0.00 179.24 176.04 3hei s LEU 101 N -6.61 2.40 -0.25 1.55 2.34 -1.26 -4.69 118.68 112.16 3hei s LEU 101 Ca 0.03 -0.83 -0.27 0.00 0.06 0.00 0.00 54.13 53.11 3hei s LEU 101 Cb 0.09 -1.11 0.01 0.00 -0.56 0.00 0.00 46.19 44.61 3hei s LEU 101 CO 0.72 0.10 0.97 -0.62 -1.06 0.00 0.00 176.35 176.46 3hei s ASP 102 N -2.51 6.97 0.00 1.48 2.15 -1.26 -4.93 116.67 118.57 3hei s ASP 102 Ca 0.18 1.18 0.28 0.00 0.43 0.00 0.00 52.55 54.62 3hei s ASP 102 Cb -0.08 -2.50 1.16 0.00 -0.30 0.00 0.00 42.92 41.20 3hei s ASP 102 CO 0.08 -0.66 1.83 -1.22 -0.17 0.00 0.00 175.17 175.04 3hei n TYR 103 N 6.31 0.00 0.00 -5.34 4.01 -1.26 -5.03 117.16 115.85 3hei n TYR 103 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 3hei n TYR 103 Cb 0.47 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.36 2.78 0.02 2.72 0.00 -1.26 -2.37 105.19 108.43 3hei n GLY 104 Ca 0.11 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.60 -2.90 2.61 -2.24 -1.26 -4.40 114.28 106.68 3hei n THR 105 Ca 0.00 0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.47 3hei n THR 105 Cb 0.00 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.41 3hei n THR 105 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hei s ASN 106 N -3.21 6.82 -0.17 3.42 3.04 -1.00 -4.95 114.94 118.90 3hei s ASN 106 Ca 0.10 -2.45 -0.15 0.00 0.04 0.00 0.00 52.86 50.40 3hei s ASN 106 Cb 0.13 -2.42 -0.04 0.00 -1.54 0.00 0.00 41.25 37.38 3hei s ASN 106 CO 0.39 -0.95 0.36 0.12 -3.04 0.00 0.00 177.10 173.99 3hei s PHE 107 N 2.39 3.43 -0.28 0.43 5.36 -1.26 -4.79 117.98 123.26 3hei s PHE 107 Ca 0.39 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 3hei s PHE 107 Cb -0.03 -2.45 0.08 0.00 -0.34 0.00 0.00 43.02 40.28 3hei s PHE 107 CO -0.05 0.12 0.04 -0.65 -1.46 0.00 0.00 175.22 173.23 3hei s GLN 108 N 0.84 1.10 0.26 10.12 -1.52 -1.26 -5.00 119.66 124.21 3hei s GLN 108 Ca 0.19 -1.11 -0.06 0.00 -1.95 0.00 0.00 55.36 52.43 3hei s GLN 108 Cb -0.14 -2.39 0.50 0.00 -0.22 0.00 0.00 33.01 30.75 3hei s GLN 108 CO 0.07 -0.82 1.60 0.87 -0.25 0.00 0.00 175.29 176.75 3hei h LYS 109 N 7.98 0.05 -0.27 2.91 1.57 -1.99 -2.10 116.57 124.72 3hei h LYS 109 Ca -0.13 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3hei h LYS 109 Cb 1.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3hei h LYS 109 CO 0.45 0.03 0.35 0.00 -0.57 0.00 0.00 179.45 179.71 3hei h ARG 110 N 0.05 0.00 -0.01 3.15 3.08 -2.04 -1.54 114.38 117.07 3hei h ARG 110 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3hei h ARG 110 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3hei h ARG 110 CO -0.80 0.00 -0.07 1.28 -1.07 0.00 0.00 179.97 179.31 3hei n LEU 111 N -3.58 0.79 -4.85 3.04 4.77 -0.79 -4.89 117.00 111.48 3hei n LEU 111 Ca 0.04 -0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.48 3hei n LEU 111 Cb 0.49 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3hei n LEU 111 CO 0.25 0.14 0.19 -0.36 -1.33 0.00 0.00 177.39 176.28 3hei s PHE 112 N -2.22 3.57 -0.07 -1.77 0.40 -0.58 -4.70 117.98 112.61 3hei s PHE 112 Ca 0.35 0.96 0.05 0.00 -0.60 0.00 0.00 56.93 57.69 3hei s PHE 112 Cb 0.21 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 3hei s PHE 112 CO 0.41 0.43 -0.23 0.99 0.70 0.00 0.00 175.22 177.52 3hei s THR 113 N -1.50 2.19 0.13 0.64 2.01 0.19 -4.93 115.64 114.38 3hei s THR 113 Ca 0.38 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 3hei s THR 113 Cb -0.14 -1.82 -0.08 0.00 0.01 0.00 0.00 72.50 70.47 3hei s THR 113 CO 0.19 0.57 1.29 -0.75 -0.69 0.00 0.00 174.62 175.23 3hei s LYS 114 N -0.03 4.39 -0.12 4.92 2.20 -1.26 -1.89 119.74 127.95 3hei s LYS 114 Ca -0.07 1.96 -0.04 0.00 -0.36 0.00 0.00 55.97 57.46 3hei s LYS 114 Cb -0.15 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3hei s LYS 114 CO 0.05 -0.29 -0.09 0.82 -0.36 0.00 0.00 175.35 175.48 3hei h ILE 115 N 4.11 0.00 -2.75 5.43 1.08 0.31 -3.48 117.51 122.22 3hei h ILE 115 Ca -0.43 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.12 3hei h ILE 115 Cb 1.21 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.87 3hei h ILE 115 CO 0.81 0.00 0.32 -0.62 -0.69 0.00 0.00 178.15 177.97 3hei s ASP 116 N -5.61 -0.36 0.17 1.72 3.68 -1.11 -5.01 116.67 110.14 3hei s ASP 116 Ca -0.07 -0.27 -0.30 0.00 2.13 0.00 0.00 52.55 54.04 3hei s ASP 116 Cb 0.01 0.58 -0.08 0.00 -1.45 0.00 0.00 42.92 41.98 3hei s ASP 116 CO 0.10 -1.01 1.30 -0.89 0.13 0.00 0.00 175.17 174.80 3hei s THR 117 N -3.60 3.35 -0.19 1.71 2.01 -1.26 -1.25 115.64 116.40 3hei s THR 117 Ca 0.07 1.07 -0.05 0.00 0.31 0.00 0.00 61.69 63.09 3hei s THR 117 Cb -0.03 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3hei s THR 117 CO -0.03 0.14 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 3hei s ILE 118 N 0.37 3.91 0.06 1.82 -1.09 0.78 -4.94 121.20 122.11 3hei s ILE 118 Ca 0.58 -0.33 0.07 0.00 -2.23 0.00 0.00 60.65 58.74 3hei s ILE 118 Cb -0.35 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3hei s ILE 118 CO 0.36 0.44 -0.20 0.00 -1.23 0.00 0.00 174.94 174.30 3hei s ALA 119 N 0.91 1.74 0.14 9.38 0.00 -1.26 -1.72 121.76 130.94 3hei s ALA 119 Ca 0.01 -1.11 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 3hei s ALA 119 Cb -0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.60 3hei s ALA 119 CO 0.02 0.37 0.79 -1.25 0.00 0.00 0.00 175.76 175.69 3hei s PRO 120 N -1.41 4.57 0.28 0.00 0.04 -1.26 -4.94 135.00 132.27 3hei s PRO 120 Ca 0.07 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.34 3hei s PRO 120 Cb -0.09 -3.29 0.40 0.00 0.04 0.00 0.00 34.50 31.56 3hei s PRO 120 CO 0.03 0.49 1.65 -0.44 0.04 0.00 0.00 177.00 178.77 3hei h ASP 121 N 4.67 0.19 -3.27 6.66 3.45 -1.98 -3.43 116.42 122.70 3hei h ASP 121 Ca -0.46 -0.09 -0.53 0.00 0.43 0.00 0.00 57.03 56.37 3hei h ASP 121 Cb 1.21 -0.06 -0.38 0.00 -0.56 0.00 0.00 39.33 39.54 3hei h ASP 121 CO 0.67 0.66 -0.79 -1.61 -1.57 0.00 0.00 179.24 176.61 3hei s GLU 122 N -3.94 1.34 0.03 3.56 0.41 -1.26 -5.12 118.70 113.71 3hei s GLU 122 Ca -0.04 -0.38 -0.13 0.00 -0.41 0.00 0.00 54.97 54.01 3hei s GLU 122 Cb 0.13 -1.80 -0.06 0.00 -1.78 0.00 0.00 34.13 30.62 3hei s GLU 122 CO 0.77 -0.39 0.40 -1.50 -0.49 0.00 0.00 175.26 174.06 3hei s ILE 123 N 1.70 5.06 0.06 -1.63 1.10 -1.26 -4.60 121.20 121.62 3hei s ILE 123 Ca 0.02 0.69 -0.26 0.00 -0.51 0.00 0.00 60.65 60.60 3hei s ILE 123 Cb -0.14 -3.68 -0.05 0.00 0.15 0.00 0.00 42.46 38.73 3hei s ILE 123 CO -0.08 0.47 0.80 -0.89 -2.11 0.00 0.00 174.94 173.14 3hei s THR 124 N -1.20 4.69 0.41 4.00 2.01 0.68 -4.87 115.64 121.36 3hei s THR 124 Ca 0.27 1.71 0.07 0.00 0.31 0.00 0.00 61.69 64.05 3hei s THR 124 Cb -0.16 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 3hei s THR 124 CO 0.15 0.35 0.02 0.68 -0.69 0.00 0.00 174.62 175.13 3hei s VAL 125 N -0.03 2.01 0.28 3.82 -7.23 -1.26 -0.24 120.40 117.76 3hei s VAL 125 Ca 0.40 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 3hei s VAL 125 Cb -0.21 -3.00 0.27 0.00 0.56 0.00 0.00 36.38 34.00 3hei s VAL 125 CO 0.24 0.00 1.74 -1.28 -0.31 0.00 0.00 175.10 175.50 3hei h SER 126 N 1.75 0.53 1.25 4.85 0.87 -1.93 -2.02 113.55 118.85 3hei h SER 126 Ca -0.44 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3hei h SER 126 Cb 1.24 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3hei h SER 126 CO 0.80 0.16 0.00 0.77 -0.53 0.00 0.00 176.83 178.03 3hei h SER 127 N 0.58 0.00 0.39 6.23 4.64 -1.99 -2.01 113.55 121.39 3hei h SER 127 Ca 0.52 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.81 3hei h SER 127 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3hei h SER 127 CO -0.42 0.00 -0.14 0.44 -0.87 0.00 0.00 176.83 175.84 3hei h ASP 128 N 0.00 0.00 0.42 4.97 3.45 -1.70 -2.92 116.42 120.64 3hei h ASP 128 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3hei h ASP 128 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3hei h ASP 128 CO 0.00 0.14 -0.20 -0.26 -1.57 0.00 0.00 179.24 177.35 3hei h PHE 129 N 0.00 -0.53 0.00 4.55 0.04 -1.47 -0.32 116.94 119.21 3hei h PHE 129 Ca -0.00 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 3hei h PHE 129 Cb 0.37 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3hei h PHE 129 CO 0.00 -0.22 -0.43 0.93 -0.60 0.00 0.00 178.31 177.99 3hei h GLU 130 N -0.81 0.00 0.00 1.51 4.39 -1.73 -1.67 114.58 116.28 3hei h GLU 130 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3hei h GLU 130 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3hei h GLU 130 CO 0.10 0.43 0.00 0.00 -1.16 0.00 0.00 179.01 178.37 3hei n ALA 131 N -2.23 1.48 -4.16 3.43 0.00 -1.10 -4.91 120.51 113.03 3hei n ALA 131 Ca 0.01 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 3hei n ALA 131 Cb 0.65 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.06 -2.07 -3.40 0.00 1.74 -0.50 -4.94 116.66 105.43 3hei n ARG 132 Ca 0.01 0.24 -0.40 0.00 -0.77 0.00 0.00 57.85 56.94 3hei n ARG 132 Cb 0.16 -4.08 -0.09 0.00 -1.02 0.00 0.00 32.46 27.42 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 -4.14 3.22 -0.42 -1.55 2.46 -0.25 -5.04 115.29 109.57 3hei s HIS 133 Ca 0.04 0.16 -0.19 0.00 0.47 0.00 0.00 55.06 55.54 3hei s HIS 133 Cb -0.02 -2.64 0.02 0.00 -0.13 0.00 0.00 32.58 29.81 3hei s HIS 133 CO 0.95 -0.35 0.52 0.08 -2.47 0.00 0.00 174.74 173.47 3hei s VAL 134 N 2.05 4.98 -0.69 0.89 1.01 -1.26 -4.79 120.40 122.58 3hei s VAL 134 Ca 0.13 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3hei s VAL 134 Cb -0.16 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 32.23 3hei s VAL 134 CO 0.11 -0.48 0.85 -0.54 0.00 0.00 0.00 175.10 175.04 3hei s LYS 135 N 2.42 3.22 -0.47 2.72 1.02 -1.26 -5.01 119.74 122.37 3hei s LYS 135 Ca 0.17 -1.39 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 3hei s LYS 135 Cb -0.16 -4.40 0.05 0.00 -0.52 0.00 0.00 37.83 32.80 3hei s LYS 135 CO 0.16 -1.63 0.54 -1.17 -0.92 0.00 0.00 175.35 172.33 3hei s LEU 136 N 2.80 5.01 0.33 3.17 2.96 -1.26 -4.46 118.68 127.22 3hei s LEU 136 Ca 0.19 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 53.03 3hei s LEU 136 Cb -0.17 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 3hei s LEU 136 CO 0.03 -0.77 0.83 0.20 -1.32 0.00 0.00 176.35 175.32 3hei s ASN 137 N 2.40 6.97 -0.11 3.68 0.01 0.43 -4.84 114.94 123.48 3hei s ASN 137 Ca 0.13 1.51 0.01 0.00 -0.71 0.00 0.00 52.86 53.81 3hei s ASN 137 Cb -0.19 -2.46 0.02 0.00 0.41 0.00 0.00 41.25 39.02 3hei s ASN 137 CO 0.12 -0.18 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.71 3hei s VAL 138 N -1.88 1.41 -0.03 1.60 1.01 -1.26 -1.09 120.40 120.16 3hei s VAL 138 Ca 0.53 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3hei s VAL 138 Cb -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3hei s VAL 138 CO 0.18 0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.99 3hei s GLU 139 N 1.09 1.12 0.06 2.72 0.41 -0.40 -4.99 118.70 118.71 3hei s GLU 139 Ca -0.05 -0.36 0.09 0.00 -0.41 0.00 0.00 54.97 54.24 3hei s GLU 139 Cb -0.14 -1.02 -0.03 0.00 -1.78 0.00 0.00 34.13 31.15 3hei s GLU 139 CO -0.03 0.14 -0.26 -2.00 -0.49 0.00 0.00 175.26 172.62 3hei s GLU 140 N 0.16 1.67 0.12 1.61 2.12 -1.26 -0.76 118.70 122.37 3hei s GLU 140 Ca -0.03 -1.12 0.02 0.00 0.36 0.00 0.00 54.97 54.19 3hei s GLU 140 Cb -0.09 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 3hei s GLU 140 CO 0.01 0.48 -0.04 1.03 -0.54 0.00 0.00 175.26 176.20 3hei s ARG 141 N -1.36 0.93 0.11 4.30 1.81 -0.51 -4.98 118.95 119.25 3hei s ARG 141 Ca 0.11 -1.41 0.05 0.00 -1.72 0.00 0.00 55.73 52.76 3hei s ARG 141 Cb -0.10 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.14 3hei s ARG 141 CO 0.03 -0.06 -0.12 -1.54 -0.68 0.00 0.00 175.30 172.93 3hei s SER 142 N -3.09 1.69 -0.06 0.23 1.04 -1.26 -0.03 113.70 112.21 3hei s SER 142 Ca 0.16 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 3hei s SER 142 Cb 0.05 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.18 3hei s SER 142 CO -0.02 -0.21 0.15 -0.69 0.98 0.00 0.00 173.24 173.45 3hei s VAL 143 N -2.30 -0.04 -0.00 5.02 1.01 -0.37 -4.97 120.40 118.76 3hei s VAL 143 Ca 0.07 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.97 3hei s VAL 143 Cb -0.04 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 36.17 3hei s VAL 143 CO 0.01 0.05 0.96 0.61 0.00 0.00 0.00 175.10 176.74 3hei n GLY 144 N 3.90 0.36 3.79 4.51 0.00 -1.26 -1.02 105.19 115.47 3hei n GLY 144 Ca -0.23 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.01 4.42 0.15 1.61 0.04 -1.26 -5.05 135.00 132.89 3hei s PRO 145 Ca 0.22 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 3hei s PRO 145 Cb -0.01 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 3hei s PRO 145 CO -0.00 0.57 0.56 -0.51 0.04 0.00 0.00 177.00 177.66 3hei s LEU 146 N -1.23 4.34 0.00 -3.56 1.43 0.10 -4.99 118.68 114.77 3hei s LEU 146 Ca 0.34 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3hei s LEU 146 Cb -0.21 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3hei s LEU 146 CO 0.23 0.10 0.00 0.35 0.23 0.00 0.00 176.35 177.26 3hei n THR 147 N 0.80 0.00 -2.31 5.49 -2.24 -1.26 -4.72 114.28 110.04 3hei n THR 147 Ca -0.05 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 3hei n THR 147 Cb 0.52 0.46 0.13 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.64 1.44 0.40 -0.78 1.81 -1.26 -4.98 118.95 114.93 3hei s ARG 148 Ca 0.00 -0.74 0.10 0.00 -1.72 0.00 0.00 55.73 53.38 3hei s ARG 148 Cb 0.00 -2.15 0.82 0.00 -0.45 0.00 0.00 34.95 33.17 3hei s ARG 148 CO 0.00 -1.72 1.93 -0.22 -0.68 0.00 0.00 175.30 174.61 3hei h LYS 149 N -0.89 0.19 0.00 3.54 3.64 -1.84 -3.44 116.57 117.77 3hei h LYS 149 Ca -0.40 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3hei h LYS 149 Cb 1.26 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3hei h LYS 149 CO 0.43 0.34 0.06 0.41 -2.27 0.00 0.00 179.45 178.42 3hei n GLY 150 N -0.89 1.93 3.46 5.01 0.00 -0.68 -1.31 105.19 112.70 3hei n GLY 150 Ca -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 -5.65 -0.17 0.24 1.61 -0.12 -0.48 -1.14 117.98 112.27 3hei s PHE 151 Ca 0.08 -0.15 0.11 0.00 -0.05 0.00 0.00 56.93 56.92 3hei s PHE 151 Cb -0.01 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 3hei s PHE 151 CO 0.06 -0.86 -0.21 0.71 -0.05 0.00 0.00 175.22 174.87 3hei s TYR 152 N -3.85 2.25 0.24 3.49 1.51 0.46 0.40 117.35 121.86 3hei s TYR 152 Ca 0.07 -0.36 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3hei s TYR 152 Cb -0.00 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3hei s TYR 152 CO -0.06 0.60 0.00 -0.51 -1.11 0.00 0.00 175.55 174.47 3hei s LEU 153 N -3.13 3.24 0.03 -1.29 1.02 -1.26 -1.27 118.68 116.02 3hei s LEU 153 Ca 0.25 -0.57 -0.09 0.00 0.02 0.00 0.00 54.13 53.74 3hei s LEU 153 Cb -0.06 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.36 3hei s LEU 153 CO 0.12 0.02 0.19 0.00 0.02 0.00 0.00 176.35 176.70 3hei s ALA 154 N -2.17 -0.35 -0.14 4.21 0.00 -0.50 -1.21 121.76 121.59 3hei s ALA 154 Ca 0.30 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.02 3hei s ALA 154 Cb -0.07 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.32 3hei s ALA 154 CO 0.20 -0.34 -0.20 -0.06 0.00 0.00 0.00 175.76 175.35 3hei s PHE 155 N -2.43 2.53 -0.21 0.00 0.40 0.73 -1.13 117.98 117.87 3hei s PHE 155 Ca -0.06 -1.28 -0.05 0.00 -0.60 0.00 0.00 56.93 54.93 3hei s PHE 155 Cb -0.02 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 3hei s PHE 155 CO -0.03 -0.60 0.01 -1.14 0.70 0.00 0.00 175.22 174.15 3hei s GLN 156 N 0.90 3.58 -0.18 0.44 0.74 -0.23 -1.24 119.66 123.68 3hei s GLN 156 Ca -0.06 -0.53 -0.10 0.00 0.05 0.00 0.00 55.36 54.72 3hei s GLN 156 Cb -0.15 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 3hei s GLN 156 CO -0.03 -0.06 0.16 0.34 -0.55 0.00 0.00 175.29 175.15 3hei s ASP 157 N 1.20 6.28 -0.03 6.67 -1.08 0.23 -1.27 116.67 128.67 3hei s ASP 157 Ca 0.03 0.32 0.08 0.00 -0.52 0.00 0.00 52.55 52.46 3hei s ASP 157 Cb -0.15 -2.10 0.23 0.00 -1.46 0.00 0.00 42.92 39.44 3hei s ASP 157 CO 0.01 0.20 1.18 2.30 0.52 0.00 0.00 175.17 179.39 3hei n ILE 158 N 3.28 1.19 0.00 4.11 -5.35 -1.26 -1.47 119.36 119.86 3hei n ILE 158 Ca -0.16 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 3hei n ILE 158 Cb 0.52 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 -0.04 0.95 3.81 3.28 0.00 -1.26 -4.47 105.19 107.46 3hei n GLY 159 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 3.88 -0.45 4.61 0.00 -1.26 0.31 121.76 128.18 3hei s ALA 160 Ca 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.08 3hei s ALA 160 Cb 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 23.12 22.62 3hei s ALA 160 CO 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 175.76 175.76 3hei s VAL 162 N 0.71 0.34 -0.09 0.00 1.01 0.23 -0.86 120.40 121.74 3hei s VAL 162 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3hei s VAL 162 Cb -0.22 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3hei s VAL 162 CO -0.04 0.02 -0.17 0.00 0.00 0.00 0.00 175.10 174.90 3hei s ALA 163 N -0.30 1.66 -0.32 5.51 0.00 -0.93 -1.22 121.76 126.16 3hei s ALA 163 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 3hei s ALA 163 Cb -0.03 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3hei s ALA 163 CO -0.00 0.12 0.14 -1.17 0.00 0.00 0.00 175.76 174.84 3hei s LEU 164 N 0.65 4.16 -0.02 0.00 2.96 0.86 -0.76 118.68 126.53 3hei s LEU 164 Ca -0.14 -0.72 0.17 0.00 -0.22 0.00 0.00 54.13 53.23 3hei s LEU 164 Cb -0.16 -1.96 -0.26 0.00 0.50 0.00 0.00 46.19 44.31 3hei s LEU 164 CO 0.04 -0.24 0.41 0.18 -1.32 0.00 0.00 176.35 175.42 3hei n LEU 165 N 4.94 0.06 -3.73 -0.68 4.77 0.54 -1.74 117.00 121.16 3hei n LEU 165 Ca -0.14 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3hei n LEU 165 Cb 0.48 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 3hei n LEU 165 CO 0.33 0.02 0.04 -0.55 -1.33 0.00 0.00 177.39 175.90 3hei s SER 166 N -3.89 -0.42 -0.13 -1.43 0.15 -1.02 -4.51 113.70 102.45 3hei s SER 166 Ca -0.05 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.35 3hei s SER 166 Cb 0.11 0.75 0.05 0.00 -1.71 0.00 0.00 66.02 65.22 3hei s SER 166 CO 0.72 -0.15 0.04 -0.69 1.20 0.00 0.00 173.24 174.36 3hei s VAL 167 N 0.62 0.27 -0.14 4.45 1.01 -1.26 -1.51 120.40 123.84 3hei s VAL 167 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3hei s VAL 167 Cb -0.05 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3hei s VAL 167 CO -0.04 -0.01 -0.18 -0.60 0.00 0.00 0.00 175.10 174.27 3hei s ARG 168 N 1.99 2.67 -0.15 2.72 3.52 0.51 -1.37 118.95 128.84 3hei s ARG 168 Ca 0.02 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3hei s ARG 168 Cb -0.15 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 3hei s ARG 168 CO -0.07 -0.13 -0.10 0.08 -0.81 0.00 0.00 175.30 174.28 3hei s VAL 169 N 1.13 3.25 0.23 7.11 1.01 -0.14 -0.14 120.40 132.84 3hei s VAL 169 Ca -0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3hei s VAL 169 Cb -0.14 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3hei s VAL 169 CO -0.07 0.50 0.34 -0.72 0.00 0.00 0.00 175.10 175.16 3hei s TYR 170 N 0.55 0.69 0.27 5.22 -0.85 -0.17 0.43 117.35 123.49 3hei s TYR 170 Ca -0.07 -0.99 0.10 0.00 -0.52 0.00 0.00 57.07 55.59 3hei s TYR 170 Cb -0.15 -0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 3hei s TYR 170 CO 0.03 -0.86 -0.16 1.52 -1.52 0.00 0.00 175.55 174.57 3hei s TYR 171 N -4.06 2.12 0.02 -3.49 -0.85 -0.56 -0.39 117.35 110.13 3hei s TYR 171 Ca 0.29 -0.45 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 3hei s TYR 171 Cb 0.02 -1.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.32 3hei s TYR 171 CO 0.10 0.56 0.14 0.15 -1.52 0.00 0.00 175.55 174.98 3hei s LYS 172 N -3.58 3.23 -0.01 -3.49 1.02 -1.26 -0.95 119.74 114.70 3hei s LYS 172 Ca 0.28 -0.45 0.12 0.00 0.02 0.00 0.00 55.97 55.94 3hei s LYS 172 Cb -0.02 -2.95 -0.22 0.00 -0.52 0.00 0.00 37.83 34.12 3hei s LYS 172 CO 0.13 0.64 0.78 0.87 -0.92 0.00 0.00 175.35 176.85 3hei h LYS 173 N 3.72 0.00 -0.03 1.68 1.57 -1.99 -3.48 116.57 118.04 3hei h LYS 173 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hei h LYS 173 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hei h LYS 173 CO 0.67 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 180.11