#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 3.19 0.04 2.62 1.01 -0.96 -4.97 120.40 121.34 3hei s VAL 2 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3hei s VAL 2 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3hei s VAL 2 CO 0.00 0.36 0.93 -0.69 0.00 0.00 0.00 175.10 175.70 3hei s VAL 3 N 1.43 4.73 -0.03 2.92 1.01 -1.26 -1.73 120.40 127.47 3hei s VAL 3 Ca 0.04 1.97 0.16 0.00 0.00 0.00 0.00 61.98 64.16 3hei s VAL 3 Cb -0.15 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 3hei s VAL 3 CO -0.04 0.25 0.34 0.18 0.00 0.00 0.00 175.10 175.83 3hei n LEU 4 N 3.36 0.00 -3.66 3.92 4.77 0.22 -4.95 117.00 120.65 3hei n LEU 4 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 3hei n LEU 4 Cb 0.50 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3hei n LEU 4 CO 0.51 0.02 0.23 -0.22 -1.33 0.00 0.00 177.39 176.60 3hei s LEU 5 N -4.18 -0.54 -0.29 2.23 2.96 -1.00 -4.94 118.68 112.91 3hei s LEU 5 Ca -0.06 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.08 3hei s LEU 5 Cb 0.10 1.96 0.13 0.00 0.50 0.00 0.00 46.19 48.88 3hei s LEU 5 CO 0.68 -0.22 0.25 -0.62 -1.32 0.00 0.00 176.35 175.12 3hei s ASP 6 N 1.36 2.13 0.03 3.68 3.68 -1.25 -0.83 116.67 125.47 3hei s ASP 6 Ca -0.08 -0.89 -0.25 0.00 2.13 0.00 0.00 52.55 53.46 3hei s ASP 6 Cb -0.06 0.30 -0.18 0.00 -1.45 0.00 0.00 42.92 41.53 3hei s ASP 6 CO -0.14 -0.40 1.45 0.15 0.13 0.00 0.00 175.17 176.36 3hei h PHE 7 N 8.30 -0.06 -0.64 -5.34 3.57 -1.65 -3.04 116.94 118.08 3hei h PHE 7 Ca -0.15 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.46 3hei h PHE 7 Cb 1.06 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 3hei h PHE 7 CO 0.28 0.23 0.43 0.00 -2.23 0.00 0.00 178.31 177.02 3hei h ALA 8 N 0.60 2.03 0.00 2.41 0.00 -1.82 -1.70 119.26 120.78 3hei h ALA 8 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hei h ALA 8 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hei h ALA 8 CO 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3hei h ALA 9 N 1.68 1.00 0.00 0.00 0.00 -1.92 -3.21 119.26 116.81 3hei h ALA 9 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hei h ALA 9 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hei h ALA 9 CO -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.06 3hei n ALA 10 N -2.08 2.57 -3.49 0.00 0.00 -0.64 -4.93 120.51 111.93 3hei n ALA 10 Ca 0.03 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 3hei n ALA 10 Cb 0.44 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.56 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 1.50 -0.43 2.45 0.00 0.00 -1.21 -2.23 105.19 105.26 3hei n GLY 11 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.70 0.54 0.13 -0.02 0.00 -1.26 -4.91 105.19 97.96 3hei n GLY 12 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hei n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hei h GLU 13 N 1.31 0.00 -6.29 1.61 5.08 -1.81 -3.44 114.58 111.04 3hei h GLU 13 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3hei h GLU 13 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3hei h GLU 13 CO 0.00 0.00 0.31 -0.51 -1.00 0.00 0.00 179.01 177.81 3hei s LEU 14 N -4.91 4.34 -0.37 1.33 1.43 -1.26 -5.00 118.68 114.25 3hei s LEU 14 Ca 0.09 1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 3hei s LEU 14 Cb 0.11 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.95 3hei s LEU 14 CO 0.64 -0.24 0.15 -0.83 0.23 0.00 0.00 176.35 176.30 3hei s GLY 15 N 0.96 1.89 0.23 -3.19 0.00 -1.26 -5.08 107.32 100.87 3hei s GLY 15 Ca 0.48 -1.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 3hei s GLY 15 CO 0.24 0.86 0.58 -0.98 0.00 0.00 0.00 173.10 173.80 3hei s TRP 16 N 1.35 3.46 0.24 1.90 0.51 -1.26 -4.84 118.94 120.30 3hei s TRP 16 Ca 0.01 0.97 -0.30 0.00 -2.12 0.00 0.00 56.10 54.66 3hei s TRP 16 Cb -0.21 -2.33 -0.09 0.00 -0.81 0.00 0.00 33.47 30.03 3hei s TRP 16 CO 0.01 0.27 1.12 -1.17 -0.51 0.00 0.00 176.95 176.67 3hei s LEU 17 N -2.66 4.52 -0.03 2.99 0.20 -1.04 -4.87 118.68 117.78 3hei s LEU 17 Ca 0.46 2.23 0.05 0.00 0.69 0.00 0.00 54.13 57.57 3hei s LEU 17 Cb -0.12 -3.62 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 3hei s LEU 17 CO 0.20 -0.20 -0.19 0.42 -0.29 0.00 0.00 176.35 176.29 3hei s THR 18 N -0.81 1.57 -0.01 3.68 -4.23 -1.26 -0.74 115.64 113.85 3hei s THR 18 Ca 0.47 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 3hei s THR 18 Cb -0.32 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3hei s THR 18 CO 0.39 0.45 -0.13 -2.28 -0.54 0.00 0.00 174.62 172.51 3hei s HIS 19 N -0.22 1.18 0.50 3.99 5.04 0.20 -3.64 115.29 122.34 3hei s HIS 19 Ca 0.02 -0.23 -0.22 0.00 -1.54 0.00 0.00 55.06 53.09 3hei s HIS 19 Cb -0.10 -0.76 -0.06 0.00 0.04 0.00 0.00 32.58 31.69 3hei s HIS 19 CO 0.01 -0.02 1.18 -1.25 -2.34 0.00 0.00 174.74 172.32 3hei s PRO 20 N -0.33 3.54 0.01 2.88 0.05 -1.26 -0.26 135.00 139.63 3hei s PRO 20 Ca 0.05 1.79 -0.39 0.00 0.05 0.00 0.00 61.00 62.51 3hei s PRO 20 Cb -0.05 -2.27 -0.18 0.00 0.05 0.00 0.00 34.50 32.05 3hei s PRO 20 CO -0.00 -0.74 1.27 0.98 0.05 0.00 0.00 177.00 178.56 3hei n TYR 21 N -0.81 1.23 -2.50 0.56 9.36 -1.24 -1.90 117.16 121.86 3hei n TYR 21 Ca 0.09 0.81 -0.19 0.00 3.32 0.00 0.00 57.90 61.93 3hei n TYR 21 Cb 0.48 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 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 2.29 -0.40 3.28 2.98 0.00 -1.26 -5.00 105.19 107.09 3hei n GLY 22 Ca 0.20 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.09 1.32 6.89 1.61 1.02 -0.80 -5.11 119.74 119.58 3hei s LYS 23 Ca 0.07 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3hei s LYS 23 Cb -0.03 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.10 3hei s LYS 23 CO 0.09 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3hei n GLY 24 N -0.39 1.21 3.77 -3.33 0.00 -1.26 -4.61 105.19 100.58 3hei n GLY 24 Ca -0.01 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 2.93 0.03 1.61 0.52 -1.26 -4.70 118.94 118.07 3hei s TRP 25 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.60 3hei s TRP 25 Cb 0.00 -3.57 -0.02 0.00 -1.15 0.00 0.00 33.47 28.73 3hei s TRP 25 CO 0.00 -1.79 -0.06 -0.51 0.02 0.00 0.00 176.95 174.61 3hei s ASP 26 N -0.87 0.68 -0.30 2.95 1.01 -0.20 -4.92 116.67 115.03 3hei s ASP 26 Ca 0.56 -0.46 -0.22 0.00 0.71 0.00 0.00 52.55 53.15 3hei s ASP 26 Cb -0.35 0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.60 3hei s ASP 26 CO 0.45 -0.18 0.69 -0.22 0.21 0.00 0.00 175.17 176.13 3hei s LEU 27 N -1.30 4.12 0.33 1.23 2.96 -1.26 -0.40 118.68 124.35 3hei s LEU 27 Ca -0.09 0.55 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3hei s LEU 27 Cb -0.09 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 3hei s LEU 27 CO 0.00 -0.52 -0.10 -0.04 -1.32 0.00 0.00 176.35 174.36 3hei s MET 28 N 2.74 1.78 -0.04 1.98 -1.94 0.62 -4.96 119.30 119.47 3hei s MET 28 Ca 0.28 -1.91 0.04 0.00 -1.71 0.00 0.00 55.69 52.40 3hei s MET 28 Cb -0.15 -1.67 -0.00 0.00 2.01 0.00 0.00 34.83 35.02 3hei s MET 28 CO 0.12 0.15 -0.16 -0.65 -0.01 0.00 0.00 175.02 174.47 3hei s GLN 29 N -3.61 1.63 0.14 2.03 -0.21 -1.26 -1.66 119.66 116.72 3hei s GLN 29 Ca 0.32 -0.56 -0.10 0.00 0.02 0.00 0.00 55.36 55.04 3hei s GLN 29 Cb 0.02 -1.43 0.00 0.00 1.00 0.00 0.00 33.01 32.60 3hei s GLN 29 CO 0.16 0.22 0.28 -0.80 -2.12 0.00 0.00 175.29 173.04 3hei s ASN 30 N 0.05 0.01 -0.18 5.90 0.01 -0.71 -5.01 114.94 115.02 3hei s ASN 30 Ca -0.03 -0.71 -0.13 0.00 -0.71 0.00 0.00 52.86 51.27 3hei s ASN 30 Cb -0.11 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.92 3hei s ASN 30 CO 0.02 -0.85 0.28 -0.63 -1.51 0.00 0.00 177.10 174.41 3hei s ILE 31 N -3.91 5.30 -0.07 0.60 -1.09 -1.26 -0.66 121.20 120.12 3hei s ILE 31 Ca 0.11 0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.01 3hei s ILE 31 Cb 0.03 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 3hei s ILE 31 CO -0.05 0.36 -0.00 -0.32 -1.23 0.00 0.00 174.94 173.70 3hei s MET 32 N 0.71 0.60 -1.42 2.79 1.75 -0.39 -4.82 119.30 118.52 3hei s MET 32 Ca 0.15 0.10 -0.06 0.00 -1.25 0.00 0.00 55.69 54.62 3hei s MET 32 Cb -0.13 -0.93 0.04 0.00 2.84 0.00 0.00 34.83 36.64 3hei s MET 32 CO 0.04 -0.28 0.80 0.09 -0.65 0.00 0.00 175.02 175.02 3hei n ASN 33 N 5.02 -2.64 -0.84 1.11 3.02 -1.26 -1.81 115.26 117.87 3hei n ASN 33 Ca -0.09 -0.82 -0.11 0.00 -0.03 0.00 0.00 54.58 53.53 3hei n ASN 33 Cb 0.50 -3.88 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.95 -5.49 -4.33 6.41 8.00 -1.26 -4.99 116.55 111.94 3hei n ASP 34 Ca -0.15 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 3hei n ASP 34 Cb 0.61 -3.95 -0.15 0.00 -0.02 0.00 0.00 41.12 37.61 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 -2.85 1.84 -0.09 -1.24 -1.94 -0.75 -5.11 119.30 109.17 3hei s MET 35 Ca 0.00 -1.05 -0.30 0.00 -1.71 0.00 0.00 55.69 52.63 3hei s MET 35 Cb 0.00 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 3hei s MET 35 CO 0.00 0.51 1.13 -1.25 -0.01 0.00 0.00 175.02 175.40 3hei s PRO 36 N -1.08 4.36 0.21 2.03 0.04 -1.26 -1.27 135.00 138.04 3hei s PRO 36 Ca 0.11 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.77 3hei s PRO 36 Cb -0.10 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 3hei s PRO 36 CO 0.01 -0.43 -0.09 0.96 0.04 0.00 0.00 177.00 177.49 3hei s ILE 37 N 2.31 1.47 0.31 0.56 -4.36 0.16 -4.97 121.20 116.68 3hei s ILE 37 Ca 0.52 -2.13 0.10 0.00 -0.26 0.00 0.00 60.65 58.88 3hei s ILE 37 Cb -0.22 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.30 3hei s ILE 37 CO 0.19 -0.52 -0.07 -0.31 0.24 0.00 0.00 174.94 174.47 3hei s TYR 38 N -3.14 2.48 -0.07 1.37 1.51 -1.26 -1.74 117.35 116.51 3hei s TYR 38 Ca 0.24 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.62 3hei s TYR 38 Cb 0.02 -1.27 0.08 0.00 -0.11 0.00 0.00 41.96 40.68 3hei s TYR 38 CO 0.07 0.59 0.74 0.00 -1.11 0.00 0.00 175.55 175.84 3hei s MET 39 N -3.63 0.97 -0.17 -0.62 0.23 -0.66 -4.77 119.30 110.65 3hei s MET 39 Ca 0.32 0.25 -0.13 0.00 -1.03 0.00 0.00 55.69 55.09 3hei s MET 39 Cb -0.02 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 3hei s MET 39 CO 0.18 -0.30 0.28 0.71 -2.03 0.00 0.00 175.02 173.85 3hei s TYR 40 N -1.16 3.45 0.12 3.16 1.51 -0.74 -0.28 117.35 123.41 3hei s TYR 40 Ca -0.09 0.56 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 3hei s TYR 40 Cb -0.00 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3hei s TYR 40 CO 0.08 0.23 -0.03 -1.54 -1.11 0.00 0.00 175.55 173.18 3hei s SER 41 N 0.50 1.03 -0.10 2.29 1.04 0.46 -0.94 113.70 117.99 3hei s SER 41 Ca 0.16 -1.07 -0.30 0.00 0.48 0.00 0.00 55.95 55.21 3hei s SER 41 Cb -0.13 0.13 0.09 0.00 0.10 0.00 0.00 66.02 66.21 3hei s SER 41 CO 0.03 -0.53 0.79 0.54 0.98 0.00 0.00 173.24 175.05 3hei s VAL 42 N -3.70 0.00 -0.38 5.02 0.11 -0.84 -1.03 120.40 119.58 3hei s VAL 42 Ca 0.16 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 3hei s VAL 42 Cb 0.06 -1.00 0.28 0.00 -1.53 0.00 0.00 36.38 34.18 3hei s VAL 42 CO -0.02 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 172.99 3hei n ASN 44 N -0.32 5.91 -0.28 0.00 5.03 -1.25 -4.71 115.26 119.65 3hei n ASN 44 Ca -0.09 -3.30 0.12 0.00 0.87 0.00 0.00 54.58 52.19 3hei n ASN 44 Cb 0.76 -1.35 0.28 0.00 -1.02 0.00 0.00 39.78 38.44 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 2.11 0.00 0.02 2.41 0.24 -1.26 -4.15 118.33 117.69 3hei n VAL 45 Ca 0.31 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.34 3hei n VAL 45 Cb 0.34 0.58 -0.14 0.00 -1.47 0.00 0.00 33.84 33.16 3hei n VAL 45 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3hei h MET 46 N 1.36 0.11 -4.92 7.34 2.86 -1.88 -3.37 114.93 116.43 3hei h MET 46 Ca 0.00 -0.19 -0.61 0.00 -2.06 0.00 0.00 59.70 56.85 3hei h MET 46 Cb 0.56 0.07 -0.34 0.00 0.06 0.00 0.00 31.60 31.95 3hei h MET 46 CO 0.00 0.84 -0.85 -1.54 1.06 0.00 0.00 176.91 176.43 3hei s SER 47 N -6.56 2.55 1.01 1.22 1.04 -1.26 -4.80 113.70 106.90 3hei s SER 47 Ca -0.08 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 3hei s SER 47 Cb 0.08 -1.16 0.04 0.00 0.10 0.00 0.00 66.02 65.08 3hei s SER 47 CO 0.82 0.07 0.20 0.61 0.98 0.00 0.00 173.24 175.92 3hei n GLY 48 N 3.91 -1.64 2.66 7.32 0.00 -1.26 -4.31 105.19 111.87 3hei n GLY 48 Ca -0.20 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.19 -5.38 -4.71 1.61 10.43 -1.26 -4.96 116.55 109.09 3hei n ASP 49 Ca 0.03 -0.08 -0.42 0.00 2.57 0.00 0.00 54.79 56.89 3hei n ASP 49 Cb 0.09 -4.45 -0.03 0.00 1.84 0.00 0.00 41.12 38.58 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 -5.31 4.25 -0.41 -1.24 -1.52 -1.26 -4.96 119.66 109.20 3hei s GLN 50 Ca 0.12 2.24 0.07 0.00 -1.95 0.00 0.00 55.36 55.84 3hei s GLN 50 Cb -0.05 -3.32 0.23 0.00 -0.22 0.00 0.00 33.01 29.65 3hei s GLN 50 CO 0.15 -0.59 0.54 -3.47 -0.25 0.00 0.00 175.29 171.67 3hei n ASP 51 N 4.46 -0.49 -4.60 5.90 4.64 -1.25 -4.43 116.55 120.77 3hei n ASP 51 Ca 0.14 -2.72 -0.35 0.00 -1.38 0.00 0.00 54.79 50.48 3hei n ASP 51 Cb 0.40 -0.21 -0.10 0.00 -1.04 0.00 0.00 41.12 40.17 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 -0.92 5.59 -0.11 1.67 0.01 -0.61 -4.53 114.94 116.04 3hei s ASN 52 Ca 0.34 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 3hei s ASN 52 Cb 0.15 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.83 3hei s ASN 52 CO -0.14 0.12 -0.21 0.26 -1.51 0.00 0.00 177.10 175.62 3hei s TRP 53 N 0.72 2.63 -0.23 2.20 0.52 0.64 -0.58 118.94 124.84 3hei s TRP 53 Ca 0.04 -0.90 -0.02 0.00 0.02 0.00 0.00 56.10 55.24 3hei s TRP 53 Cb -0.13 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3hei s TRP 53 CO 0.02 -0.34 -0.08 -1.17 0.02 0.00 0.00 176.95 175.40 3hei s LEU 54 N 0.30 2.90 -0.11 2.99 2.96 -0.17 -0.62 118.68 126.92 3hei s LEU 54 Ca -0.15 -0.66 0.01 0.00 -0.22 0.00 0.00 54.13 53.10 3hei s LEU 54 Cb -0.17 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3hei s LEU 54 CO 0.08 -0.07 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.31 3hei s ARG 55 N 1.37 3.13 1.05 1.98 3.52 0.08 0.02 118.95 130.11 3hei s ARG 55 Ca 0.03 -0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 54.80 3hei s ARG 55 Cb -0.15 -2.56 0.21 0.00 -1.56 0.00 0.00 34.95 30.89 3hei s ARG 55 CO -0.06 0.34 1.13 0.95 -0.81 0.00 0.00 175.30 176.85 3hei s THR 56 N 0.02 1.87 1.01 4.11 -4.23 -0.11 -2.51 115.64 115.80 3hei s THR 56 Ca -0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 3hei s THR 56 Cb -0.14 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.31 3hei s THR 56 CO 0.04 0.00 1.08 0.54 -0.54 0.00 0.00 174.62 175.74 3hei s ASN 57 N -3.83 2.39 0.23 3.99 4.22 -1.26 -4.75 114.94 115.92 3hei s ASN 57 Ca 0.68 1.49 -0.30 0.00 -2.14 0.00 0.00 52.86 52.59 3hei s ASN 57 Cb -0.14 -2.17 -0.09 0.00 1.28 0.00 0.00 41.25 40.13 3hei s ASN 57 CO 0.56 -3.32 1.27 0.86 -2.04 0.00 0.00 177.10 174.43 3hei s TRP 58 N -2.76 3.27 -0.24 1.54 -0.00 -1.26 -4.64 118.94 114.84 3hei s TRP 58 Ca 0.66 1.33 -0.04 0.00 -0.00 0.00 0.00 56.10 58.05 3hei s TRP 58 Cb -0.21 -3.56 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 3hei s TRP 58 CO 0.60 -1.66 -0.02 0.08 -0.00 0.00 0.00 176.95 175.95 3hei s VAL 59 N -0.26 3.41 0.04 5.86 1.01 0.15 -4.93 120.40 125.68 3hei s VAL 59 Ca 0.54 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 3hei s VAL 59 Cb -0.36 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 3hei s VAL 59 CO 0.41 0.30 1.69 -0.47 0.00 0.00 0.00 175.10 177.03 3hei s TYR 60 N 1.45 2.19 0.15 5.22 5.04 -1.26 -0.99 117.35 129.15 3hei s TYR 60 Ca 0.04 0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 3hei s TYR 60 Cb -0.15 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 38.14 3hei s TYR 60 CO -0.02 -4.05 1.37 -0.09 -1.34 0.00 0.00 175.55 171.42 3hei h ARG 61 N 8.85 0.52 0.00 4.97 2.43 -1.07 -3.48 114.38 126.60 3hei h ARG 61 Ca -0.43 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 3hei h ARG 61 Cb 1.20 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3hei h ARG 61 CO 0.94 1.08 0.00 0.41 -1.51 0.00 0.00 179.97 180.89 3hei n GLY 62 N 0.68 3.47 0.07 2.80 0.00 -1.26 -1.98 105.19 108.97 3hei n GLY 62 Ca -0.06 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.26 -1.67 1.61 0.28 -1.26 -4.94 120.64 128.92 3hei n GLU 63 Ca 0.00 0.12 -0.46 0.00 -0.16 0.00 0.00 57.16 56.66 3hei n GLU 63 Cb 0.00 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.12 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 -1.78 1.24 -0.11 -1.84 0.00 -0.84 -4.90 120.51 112.28 3hei n ALA 64 Ca 0.04 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 3hei n ALA 64 Cb 0.43 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.42 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 3.74 0.53 -5.23 0.00 2.13 -1.26 -4.69 120.64 115.85 3hei n GLU 65 Ca 0.18 0.17 -0.31 0.00 0.66 0.00 0.00 57.16 57.86 3hei n GLU 65 Cb 0.29 -1.39 -0.16 0.00 0.27 0.00 0.00 31.44 30.44 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 -2.44 2.35 0.04 5.31 3.52 -1.26 -0.25 118.95 126.22 3hei s ARG 66 Ca -0.31 -0.88 0.07 0.00 -0.13 0.00 0.00 55.73 54.47 3hei s ARG 66 Cb 0.10 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 3hei s ARG 66 CO 0.46 0.41 -0.17 0.96 -0.81 0.00 0.00 175.30 176.16 3hei s ILE 67 N -0.26 2.89 -0.10 4.11 -4.36 -0.49 -4.41 121.20 118.58 3hei s ILE 67 Ca -0.00 -1.15 -0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3hei s ILE 67 Cb -0.12 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 3hei s ILE 67 CO 0.02 0.33 -0.08 -0.36 0.24 0.00 0.00 174.94 175.09 3hei s PHE 68 N -0.94 2.91 -0.22 1.37 0.40 -0.27 -1.35 117.98 119.88 3hei s PHE 68 Ca 0.15 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 3hei s PHE 68 Cb -0.11 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.69 3hei s PHE 68 CO 0.06 0.13 -0.07 0.42 0.70 0.00 0.00 175.22 176.46 3hei s ILE 69 N -0.31 1.53 -0.19 0.64 1.01 0.65 -1.56 121.20 122.96 3hei s ILE 69 Ca 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 3hei s ILE 69 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3hei s ILE 69 CO 0.02 0.01 -0.07 -0.70 0.00 0.00 0.00 174.94 174.21 3hei s GLU 70 N 1.42 3.38 0.01 2.79 2.12 0.13 -0.32 118.70 128.23 3hei s GLU 70 Ca -0.04 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 54.72 3hei s GLU 70 Cb -0.18 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3hei s GLU 70 CO -0.07 -0.08 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.88 3hei s LEU 71 N 1.15 2.58 -0.05 2.70 1.43 0.54 -0.65 118.68 126.37 3hei s LEU 71 Ca 0.02 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3hei s LEU 71 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hei s LEU 71 CO -0.02 0.29 -0.08 -0.54 0.23 0.00 0.00 176.35 176.24 3hei s LYS 72 N -1.14 1.21 0.08 1.70 1.02 -0.09 -1.34 119.74 121.17 3hei s LYS 72 Ca 0.13 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.64 3hei s LYS 72 Cb -0.10 -1.08 0.06 0.00 -0.52 0.00 0.00 37.83 36.18 3hei s LYS 72 CO 0.03 -0.03 0.57 -0.59 -0.92 0.00 0.00 175.35 174.41 3hei s PHE 73 N 0.80 -0.49 0.10 3.18 -0.12 -0.89 -0.48 117.98 120.08 3hei s PHE 73 Ca -0.13 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.31 3hei s PHE 73 Cb -0.15 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 3hei s PHE 73 CO 0.02 -0.72 -0.00 0.95 -0.05 0.00 0.00 175.22 175.42 3hei s THR 74 N -2.78 3.97 -0.02 -4.49 -4.23 0.16 -1.87 115.64 106.39 3hei s THR 74 Ca -0.03 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 3hei s THR 74 Cb -0.00 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3hei s THR 74 CO -0.04 0.09 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.36 3hei s VAL 75 N -1.36 0.62 -0.11 2.29 1.01 -1.26 -1.40 120.40 120.19 3hei s VAL 75 Ca 0.26 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3hei s VAL 75 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3hei s VAL 75 CO 0.18 0.19 0.09 -0.60 0.00 0.00 0.00 175.10 174.97 3hei s ARG 76 N 0.10 3.35 0.07 2.72 3.52 -0.39 -0.26 118.95 128.05 3hei s ARG 76 Ca -0.01 -0.23 -0.36 0.00 -0.13 0.00 0.00 55.73 55.00 3hei s ARG 76 Cb -0.06 -3.07 -0.15 0.00 -1.56 0.00 0.00 34.95 30.10 3hei s ARG 76 CO -0.00 0.71 1.48 -3.47 -0.81 0.00 0.00 175.30 173.21 3hei n ASP 77 N 2.16 2.25 0.22 -2.12 4.64 0.25 -4.65 116.55 119.30 3hei n ASP 77 Ca -0.19 1.10 0.15 0.00 -1.38 0.00 0.00 54.79 54.47 3hei n ASP 77 Cb 0.54 -1.27 0.67 0.00 -1.04 0.00 0.00 41.12 40.03 3hei n ASP 77 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hei n ASN 79 N -2.68 1.71 -0.81 0.00 4.13 -1.26 -4.09 115.26 112.26 3hei n ASN 79 Ca 0.00 -1.62 0.05 0.00 1.68 0.00 0.00 54.58 54.69 3hei n ASN 79 Cb 0.22 -0.05 0.16 0.00 -1.54 0.00 0.00 39.78 38.57 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 0.34 2.29 -4.64 6.41 3.41 -0.61 -4.88 113.62 115.95 3hei n SER 80 Ca 0.18 -2.14 -0.35 0.00 -0.26 0.00 0.00 58.87 56.30 3hei n SER 80 Cb 0.37 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.63 3.26 0.18 7.33 0.40 -1.26 -4.80 117.98 121.46 3hei s PHE 81 Ca 0.24 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 3hei s PHE 81 Cb 0.14 -2.08 0.05 0.00 0.51 0.00 0.00 43.02 41.64 3hei s PHE 81 CO 0.13 0.15 1.42 -1.35 0.70 0.00 0.00 175.22 176.28 3hei h PRO 82 N 6.71 0.15 0.00 0.24 0.11 -1.96 -3.39 132.00 133.86 3hei h PRO 82 Ca -0.37 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hei h PRO 82 Cb 1.17 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hei h PRO 82 CO 0.71 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 179.79 3hei n GLY 83 N 0.77 -3.29 0.18 -0.55 0.00 -1.26 -4.98 105.19 96.05 3hei n GLY 83 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.75 -1.77 3.53 -0.02 0.00 -1.26 -5.07 105.19 99.84 3hei n GLY 84 Ca 0.00 0.65 -0.24 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.38 -2.43 0.14 4.61 0.00 -1.26 -4.90 120.51 114.28 3hei n ALA 85 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.39 3hei n ALA 85 Cb 0.00 -4.32 0.03 0.00 0.00 0.00 0.00 19.45 15.17 3hei n ALA 85 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hei h SER 86 N -1.61 0.00 -1.22 0.00 4.64 -1.89 -3.21 113.55 110.26 3hei h SER 86 Ca -0.64 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.01 3hei h SER 86 Cb 1.34 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.12 3hei h SER 86 CO 0.48 0.36 0.57 -1.54 -0.87 0.00 0.00 176.83 175.84 3hei n SER 87 N -3.09 7.08 -4.83 4.97 3.41 -1.26 -4.96 113.62 114.93 3hei n SER 87 Ca 0.00 -3.79 -0.36 0.00 -0.26 0.00 0.00 58.87 54.46 3hei n SER 87 Cb 0.69 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.96 1.78 -0.12 0.00 -0.14 -0.89 -5.00 119.74 114.42 3hei s LYS 89 Ca 0.14 -1.90 0.14 0.00 -1.36 0.00 0.00 55.97 53.00 3hei s LYS 89 Cb -0.12 -1.68 0.30 0.00 -1.68 0.00 0.00 37.83 34.65 3hei s LYS 89 CO 0.03 0.17 1.15 0.39 -0.76 0.00 0.00 175.35 176.33 3hei n GLU 90 N -0.75 1.00 -4.22 1.68 1.02 -1.26 -4.11 120.64 113.99 3hei n GLU 90 Ca -0.05 -2.46 -0.13 0.00 -0.02 0.00 0.00 57.16 54.50 3hei n GLU 90 Cb 0.63 -1.18 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.14 0.36 0.26 2.62 -4.23 -1.26 -4.39 115.64 106.86 3hei s THR 91 Ca 0.29 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 3hei s THR 91 Cb 0.27 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 3hei s THR 91 CO -0.03 -0.29 0.36 0.72 -0.54 0.00 0.00 174.62 174.83 3hei s PHE 92 N -3.88 0.87 -0.01 3.99 -0.12 -1.06 -4.56 117.98 113.21 3hei s PHE 92 Ca 0.29 -1.13 0.07 0.00 -0.05 0.00 0.00 56.93 56.12 3hei s PHE 92 Cb 0.07 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 3hei s PHE 92 CO 0.07 -0.91 -0.23 -0.80 -0.05 0.00 0.00 175.22 173.29 3hei s ASN 93 N -3.14 2.73 -0.15 1.98 0.01 -0.37 0.80 114.94 116.80 3hei s ASN 93 Ca 0.31 -0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 51.96 3hei s ASN 93 Cb 0.02 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 3hei s ASN 93 CO 0.14 0.27 0.06 -0.22 -1.51 0.00 0.00 177.10 175.84 3hei s LEU 94 N -0.63 3.84 0.13 0.60 2.96 -0.39 -0.88 118.68 124.30 3hei s LEU 94 Ca 0.09 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 3hei s LEU 94 Cb -0.09 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3hei s LEU 94 CO -0.01 0.25 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.84 3hei s TYR 95 N -0.08 1.31 0.10 5.38 1.51 -0.18 0.43 117.35 125.82 3hei s TYR 95 Ca 0.06 -0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 3hei s TYR 95 Cb -0.12 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 3hei s TYR 95 CO 0.01 0.11 0.13 1.52 -1.11 0.00 0.00 175.55 176.21 3hei s TYR 96 N -2.58 0.40 -0.00 2.71 -0.85 -0.74 -1.01 117.35 115.27 3hei s TYR 96 Ca 0.11 -0.84 0.01 0.00 -0.52 0.00 0.00 57.07 55.83 3hei s TYR 96 Cb -0.02 -0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.11 3hei s TYR 96 CO 0.02 -0.53 -0.02 0.00 -1.52 0.00 0.00 175.55 173.50 3hei s ALA 97 N -3.92 0.14 0.15 9.51 0.00 -0.01 -0.46 121.76 127.17 3hei s ALA 97 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 3hei s ALA 97 Cb 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 3hei s ALA 97 CO -0.07 0.03 0.44 -1.21 0.00 0.00 0.00 175.76 174.95 3hei s GLU 98 N -0.06 3.72 -0.02 0.00 2.02 -1.26 -0.73 118.70 122.37 3hei s GLU 98 Ca 0.00 0.11 -0.23 0.00 0.02 0.00 0.00 54.97 54.87 3hei s GLU 98 Cb -0.01 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.43 3hei s GLU 98 CO -0.00 0.45 0.51 -1.54 0.02 0.00 0.00 175.26 174.70 3hei s SER 99 N -2.19 -0.43 0.37 -0.19 1.04 -0.78 -4.96 113.70 106.55 3hei s SER 99 Ca 0.40 0.36 0.27 0.00 0.48 0.00 0.00 55.95 57.46 3hei s SER 99 Cb -0.12 0.44 0.84 0.00 0.10 0.00 0.00 66.02 67.28 3hei s SER 99 CO 0.22 -0.58 1.77 0.44 0.98 0.00 0.00 173.24 176.07 3hei h ASP 100 N 3.27 0.00 -4.93 7.02 3.32 -1.93 -1.00 116.42 122.17 3hei h ASP 100 Ca -0.29 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.57 3hei h ASP 100 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3hei h ASP 100 CO 0.40 0.00 -0.71 -1.48 -1.72 0.00 0.00 179.24 175.73 3hei s LEU 101 N -5.42 2.30 -0.04 1.55 2.34 -1.26 -4.71 118.68 113.43 3hei s LEU 101 Ca 0.06 -0.62 -0.29 0.00 0.06 0.00 0.00 54.13 53.34 3hei s LEU 101 Cb 0.09 0.03 -0.03 0.00 -0.56 0.00 0.00 46.19 45.72 3hei s LEU 101 CO 0.57 -0.33 0.96 -0.62 -1.06 0.00 0.00 176.35 175.87 3hei s ASP 102 N -1.81 7.29 0.00 1.48 -1.08 -1.26 -4.93 116.67 116.36 3hei s ASP 102 Ca -0.09 1.57 0.23 0.00 -0.52 0.00 0.00 52.55 53.74 3hei s ASP 102 Cb -0.06 -2.55 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 3hei s ASP 102 CO -0.02 -0.30 1.43 -1.22 0.52 0.00 0.00 175.17 175.58 3hei n TYR 103 N 4.21 0.40 0.00 -5.34 4.01 -1.26 -5.01 117.16 114.17 3hei n TYR 103 Ca 0.06 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3hei n TYR 103 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.40 3.94 0.03 2.72 0.00 -1.26 -1.97 105.19 110.05 3hei n GLY 104 Ca 0.18 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -2.27 2.61 -2.24 -1.26 -4.78 114.28 106.34 3hei n THR 105 Ca 0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3hei n THR 105 Cb 0.00 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3hei n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3hei s ASN 106 N -2.85 6.96 -0.07 3.42 -0.87 -0.83 -5.04 114.94 115.65 3hei s ASN 106 Ca 0.18 2.36 -0.03 0.00 -1.57 0.00 0.00 52.86 53.79 3hei s ASN 106 Cb 0.19 -2.61 0.04 0.00 -0.02 0.00 0.00 41.25 38.85 3hei s ASN 106 CO 0.56 -0.47 0.12 0.12 -2.57 0.00 0.00 177.10 174.85 3hei s PHE 107 N 0.01 -0.08 -0.22 2.20 5.36 -1.26 -4.85 117.98 119.14 3hei s PHE 107 Ca 0.55 0.44 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 3hei s PHE 107 Cb -0.35 -0.36 0.05 0.00 -0.34 0.00 0.00 43.02 42.02 3hei s PHE 107 CO 0.38 -0.25 -0.09 -0.65 -1.46 0.00 0.00 175.22 173.15 3hei s GLN 108 N 2.24 1.95 0.27 10.12 -1.52 -1.26 -5.00 119.66 126.46 3hei s GLN 108 Ca 0.04 -0.97 -0.00 0.00 -1.95 0.00 0.00 55.36 52.47 3hei s GLN 108 Cb -0.12 -2.55 0.54 0.00 -0.22 0.00 0.00 33.01 30.65 3hei s GLN 108 CO -0.05 -0.50 1.79 0.87 -0.25 0.00 0.00 175.29 177.15 3hei h LYS 109 N 7.93 0.72 -1.07 2.91 1.57 -1.99 -1.62 116.57 125.03 3hei h LYS 109 Ca -0.23 -0.04 0.42 0.00 -1.87 0.00 0.00 60.65 58.92 3hei h LYS 109 Cb 1.08 -0.16 -0.16 0.00 0.08 0.00 0.00 32.23 33.07 3hei h LYS 109 CO 0.46 0.48 0.62 -2.13 -0.57 0.00 0.00 179.45 178.31 3hei n ARG 110 N -4.78 -0.05 0.00 3.15 0.63 -1.26 0.38 116.66 114.73 3hei n ARG 110 Ca 0.18 1.27 0.15 0.00 -0.92 0.00 0.00 57.85 58.53 3hei n ARG 110 Cb 0.41 -2.36 0.83 0.00 0.45 0.00 0.00 32.46 31.78 3hei n ARG 110 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3hei n LEU 111 N -4.98 0.00 -4.87 6.15 4.77 -0.61 -4.86 117.00 112.60 3hei n LEU 111 Ca 0.37 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 56.17 3hei n LEU 111 Cb 1.31 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 42.16 3hei n LEU 111 CO 0.06 -0.00 -0.08 -0.36 -1.33 0.00 0.00 177.39 175.69 3hei s PHE 112 N -2.37 3.63 -0.17 -1.77 0.40 0.16 -4.64 117.98 113.21 3hei s PHE 112 Ca 0.35 0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 57.28 3hei s PHE 112 Cb 0.21 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 3hei s PHE 112 CO 0.43 0.69 -0.00 0.99 0.70 0.00 0.00 175.22 178.02 3hei s THR 113 N -1.11 4.18 0.22 0.64 2.01 0.39 -4.92 115.64 117.05 3hei s THR 113 Ca 0.20 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 3hei s THR 113 Cb -0.13 -2.86 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 3hei s THR 113 CO 0.09 0.48 1.47 -0.75 -0.69 0.00 0.00 174.62 175.22 3hei s LYS 114 N 0.42 4.25 -0.16 4.92 2.20 -1.26 -1.79 119.74 128.33 3hei s LYS 114 Ca -0.01 2.31 -0.12 0.00 -0.36 0.00 0.00 55.97 57.78 3hei s LYS 114 Cb -0.14 -3.13 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3hei s LYS 114 CO 0.02 -0.47 -0.08 -0.89 -0.36 0.00 0.00 175.35 173.57 3hei n ILE 115 N 2.87 1.45 -3.61 5.43 2.08 0.17 -4.93 119.36 122.82 3hei n ILE 115 Ca 0.09 0.15 -0.07 0.00 0.56 0.00 0.00 62.75 63.48 3hei n ILE 115 Cb 0.40 -2.30 -0.02 0.00 -0.75 0.00 0.00 39.64 36.97 3hei n ILE 115 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hei s ASP 116 N -6.04 -0.32 0.01 4.38 3.68 -1.19 -5.03 116.67 112.16 3hei s ASP 116 Ca -0.19 -0.19 -0.30 0.00 2.13 0.00 0.00 52.55 54.01 3hei s ASP 116 Cb 0.03 0.47 -0.04 0.00 -1.45 0.00 0.00 42.92 41.94 3hei s ASP 116 CO 0.32 -0.81 1.03 -0.89 0.13 0.00 0.00 175.17 174.94 3hei s THR 117 N -3.31 4.69 -0.23 1.71 2.01 -1.26 -1.26 115.64 117.98 3hei s THR 117 Ca 0.07 1.93 -0.16 0.00 0.31 0.00 0.00 61.69 63.85 3hei s THR 117 Cb -0.01 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3hei s THR 117 CO -0.04 0.15 0.40 -0.63 -0.69 0.00 0.00 174.62 173.81 3hei s ILE 118 N 1.02 5.18 -0.02 1.82 -1.09 0.24 -4.96 121.20 123.38 3hei s ILE 118 Ca 0.53 0.68 0.07 0.00 -2.23 0.00 0.00 60.65 59.71 3hei s ILE 118 Cb -0.23 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 3hei s ILE 118 CO 0.28 0.20 -0.24 0.00 -1.23 0.00 0.00 174.94 173.95 3hei s ALA 119 N 1.67 2.02 0.31 9.38 0.00 -1.26 -2.55 121.76 131.34 3hei s ALA 119 Ca 0.18 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 3hei s ALA 119 Cb -0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 3hei s ALA 119 CO 0.09 0.49 0.99 -1.25 0.00 0.00 0.00 175.76 176.07 3hei s PRO 120 N -0.55 4.57 -0.05 0.00 0.04 -1.26 -4.98 135.00 132.77 3hei s PRO 120 Ca 0.09 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 3hei s PRO 120 Cb -0.09 -2.91 -0.23 0.00 0.04 0.00 0.00 34.50 31.31 3hei s PRO 120 CO -0.01 0.24 1.06 -0.44 0.04 0.00 0.00 177.00 177.89 3hei h ASP 121 N 3.35 0.14 -3.66 6.66 3.45 -1.98 -3.43 116.42 120.95 3hei h ASP 121 Ca -0.47 -0.73 -0.67 0.00 0.43 0.00 0.00 57.03 55.59 3hei h ASP 121 Cb 1.20 -0.04 -0.22 0.00 -0.56 0.00 0.00 39.33 39.70 3hei h ASP 121 CO 0.65 0.85 -0.56 -1.61 -1.57 0.00 0.00 179.24 177.01 3hei s GLU 122 N -3.29 3.35 0.28 3.56 0.41 -1.26 -5.09 118.70 116.66 3hei s GLU 122 Ca -0.16 -0.71 -0.24 0.00 -0.41 0.00 0.00 54.97 53.45 3hei s GLU 122 Cb 0.01 -3.57 -0.09 0.00 -1.78 0.00 0.00 34.13 28.69 3hei s GLU 122 CO 0.72 -0.41 0.87 -1.50 -0.49 0.00 0.00 175.26 174.44 3hei s ILE 123 N 1.62 4.33 -0.26 -1.63 1.10 -1.26 -4.61 121.20 120.49 3hei s ILE 123 Ca 0.05 1.64 -0.19 0.00 -0.51 0.00 0.00 60.65 61.64 3hei s ILE 123 Cb -0.17 -3.97 -0.02 0.00 0.15 0.00 0.00 42.46 38.45 3hei s ILE 123 CO 0.06 0.18 0.56 -0.89 -2.11 0.00 0.00 174.94 172.74 3hei s THR 124 N -1.57 5.03 0.42 4.00 2.01 0.64 -4.88 115.64 121.29 3hei s THR 124 Ca 0.47 0.97 0.08 0.00 0.31 0.00 0.00 61.69 63.52 3hei s THR 124 Cb -0.18 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 3hei s THR 124 CO 0.23 0.05 0.35 0.68 -0.69 0.00 0.00 174.62 175.24 3hei s VAL 125 N 2.39 2.59 0.28 3.82 -7.23 -1.26 0.85 120.40 121.85 3hei s VAL 125 Ca 0.23 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3hei s VAL 125 Cb -0.16 -2.99 0.34 0.00 0.56 0.00 0.00 36.38 34.14 3hei s VAL 125 CO 0.09 0.00 1.61 0.28 -0.31 0.00 0.00 175.10 176.77 3hei h SER 126 N 1.08 -0.31 1.36 4.85 0.02 -1.92 -0.77 113.55 117.86 3hei h SER 126 Ca -0.42 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3hei h SER 126 Cb 1.26 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3hei h SER 126 CO 0.59 -0.24 0.00 0.77 -1.14 0.00 0.00 176.83 176.81 3hei h SER 127 N 0.09 0.00 0.06 3.07 4.64 -1.98 -2.99 113.55 116.44 3hei h SER 127 Ca 0.53 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3hei h SER 127 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3hei h SER 127 CO -0.77 0.00 -0.02 0.44 -0.87 0.00 0.00 176.83 175.61 3hei h ASP 128 N 0.00 0.00 0.36 4.97 3.45 -1.48 -2.01 116.42 121.71 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 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3hei h ASP 128 CO 0.00 0.02 -0.17 -0.26 -1.57 0.00 0.00 179.24 177.26 3hei h PHE 129 N 0.00 -0.44 -0.60 4.55 0.04 -1.67 0.87 116.94 119.69 3hei h PHE 129 Ca -0.00 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.86 3hei h PHE 129 Cb 0.06 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 3hei h PHE 129 CO 0.00 -0.12 0.40 0.93 -0.60 0.00 0.00 178.31 178.92 3hei h GLU 130 N -0.95 0.37 -0.43 1.51 3.07 -1.69 -0.78 114.58 115.66 3hei h GLU 130 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3hei h GLU 130 Cb 0.53 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3hei h GLU 130 CO 0.08 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.93 3hei n ALA 131 N -2.53 2.43 -4.47 3.43 0.00 -0.78 -4.93 120.51 113.67 3hei n ALA 131 Ca 0.10 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 3hei n ALA 131 Cb 0.39 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 0.83 -1.20 -3.28 0.00 1.74 -0.30 -4.89 116.66 109.56 3hei n ARG 132 Ca 0.16 0.18 -0.38 0.00 -0.77 0.00 0.00 57.85 57.04 3hei n ARG 132 Cb 0.39 -4.79 -0.06 0.00 -1.02 0.00 0.00 32.46 26.98 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 -3.24 3.52 -0.28 -1.55 2.46 0.22 -5.04 115.29 111.39 3hei s HIS 133 Ca 0.82 0.94 -0.08 0.00 0.47 0.00 0.00 55.06 57.21 3hei s HIS 133 Cb -0.47 -2.59 -0.01 0.00 -0.13 0.00 0.00 32.58 29.38 3hei s HIS 133 CO 1.00 0.15 0.09 0.08 -2.47 0.00 0.00 174.74 173.59 3hei s VAL 134 N 0.67 4.25 -0.66 0.89 1.01 -1.26 -4.74 120.40 120.56 3hei s VAL 134 Ca 0.27 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3hei s VAL 134 Cb -0.15 -3.08 0.17 0.00 0.00 0.00 0.00 36.38 33.31 3hei s VAL 134 CO 0.11 0.21 0.58 -0.54 0.00 0.00 0.00 175.10 175.46 3hei s LYS 135 N 1.58 3.11 -0.32 2.72 1.02 -1.26 -5.03 119.74 121.56 3hei s LYS 135 Ca 0.05 -2.13 -0.14 0.00 0.02 0.00 0.00 55.97 53.76 3hei s LYS 135 Cb -0.16 -4.23 -0.02 0.00 -0.52 0.00 0.00 37.83 32.90 3hei s LYS 135 CO 0.04 -1.27 0.33 -1.17 -0.92 0.00 0.00 175.35 172.36 3hei s LEU 136 N 0.76 4.29 0.32 3.17 2.96 -1.26 -4.63 118.68 124.29 3hei s LEU 136 Ca 0.11 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 3hei s LEU 136 Cb -0.20 -2.32 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 3hei s LEU 136 CO -0.03 -0.26 0.74 0.20 -1.32 0.00 0.00 176.35 175.68 3hei s ASN 137 N 1.72 6.80 -0.15 3.68 0.01 -0.78 -4.89 114.94 121.32 3hei s ASN 137 Ca 0.11 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 3hei s ASN 137 Cb -0.16 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.14 3hei s ASN 137 CO 0.11 -0.19 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.71 3hei s VAL 138 N -1.95 1.44 -0.02 1.60 1.01 -1.26 -2.10 120.40 119.12 3hei s VAL 138 Ca 0.53 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3hei s VAL 138 Cb -0.11 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3hei s VAL 138 CO 0.18 0.36 -0.19 -1.61 0.00 0.00 0.00 175.10 173.83 3hei s GLU 139 N 1.53 1.65 -0.02 2.72 0.41 -0.45 -4.99 118.70 119.55 3hei s GLU 139 Ca 0.03 -0.69 0.06 0.00 -0.41 0.00 0.00 54.97 53.96 3hei s GLU 139 Cb -0.14 -1.56 -0.01 0.00 -1.78 0.00 0.00 34.13 30.65 3hei s GLU 139 CO -0.10 0.38 -0.19 -2.00 -0.49 0.00 0.00 175.26 172.87 3hei s GLU 140 N -0.35 1.67 0.13 1.61 2.12 -1.26 -0.34 118.70 122.28 3hei s GLU 140 Ca 0.05 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.71 3hei s GLU 140 Cb -0.08 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 3hei s GLU 140 CO -0.00 0.38 -0.04 1.03 -0.54 0.00 0.00 175.26 176.10 3hei s ARG 141 N -0.34 0.95 0.05 4.30 1.81 0.57 -4.97 118.95 121.30 3hei s ARG 141 Ca 0.05 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 3hei s ARG 141 Cb -0.09 -0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 3hei s ARG 141 CO 0.00 -0.07 -0.05 -1.54 -0.68 0.00 0.00 175.30 172.97 3hei s SER 142 N -3.09 0.64 -0.03 0.23 1.04 -1.26 -0.26 113.70 110.97 3hei s SER 142 Ca 0.17 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3hei s SER 142 Cb 0.06 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3hei s SER 142 CO -0.01 -0.43 0.06 -0.69 0.98 0.00 0.00 173.24 173.15 3hei s VAL 143 N -2.80 -0.02 -0.05 5.02 1.01 -0.46 -5.00 120.40 118.11 3hei s VAL 143 Ca -0.01 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3hei s VAL 143 Cb -0.00 -0.10 0.12 0.00 0.00 0.00 0.00 36.38 36.39 3hei s VAL 143 CO -0.05 0.03 1.34 -0.83 0.00 0.00 0.00 175.10 175.59 3hei s GLY 144 N 0.38 -0.31 0.42 4.51 0.00 -1.26 -1.39 107.32 109.66 3hei s GLY 144 Ca -0.03 0.47 -0.16 0.00 0.00 0.00 0.00 44.72 45.00 3hei s GLY 144 CO -0.01 2.93 0.86 2.56 0.00 0.00 0.00 173.10 179.43 3hei s PRO 145 N -2.13 3.99 0.07 2.90 0.04 -1.26 -5.05 135.00 133.55 3hei s PRO 145 Ca 0.22 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 3hei s PRO 145 Cb 0.03 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3hei s PRO 145 CO -0.03 -0.04 0.37 -0.51 0.04 0.00 0.00 177.00 176.83 3hei s LEU 146 N -3.51 4.35 0.00 -3.56 1.43 0.65 -5.01 118.68 113.03 3hei s LEU 146 Ca 0.56 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 3hei s LEU 146 Cb -0.10 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.18 3hei s LEU 146 CO 0.23 0.18 0.00 0.35 0.23 0.00 0.00 176.35 177.34 3hei n THR 147 N 0.90 0.00 -2.21 5.49 -2.24 -1.26 -4.77 114.28 110.19 3hei n THR 147 Ca -0.08 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 3hei n THR 147 Cb 0.52 -0.33 0.15 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.62 1.12 0.40 -0.78 1.81 -1.26 -4.95 118.95 113.66 3hei s ARG 148 Ca 0.00 -0.69 0.17 0.00 -1.72 0.00 0.00 55.73 53.49 3hei s ARG 148 Cb 0.00 -2.05 0.86 0.00 -0.45 0.00 0.00 34.95 33.30 3hei s ARG 148 CO 0.00 -1.98 1.86 -0.22 -0.68 0.00 0.00 175.30 174.28 3hei h LYS 149 N -1.16 0.00 0.00 3.54 3.64 -1.84 -3.44 116.57 117.31 3hei h LYS 149 Ca -0.41 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 3hei h LYS 149 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3hei h LYS 149 CO 0.40 0.32 0.05 0.41 -2.27 0.00 0.00 179.45 178.35 3hei n GLY 150 N -0.38 1.97 3.40 5.01 0.00 -0.38 -0.49 105.19 114.32 3hei n GLY 150 Ca -0.02 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.81 -0.46 0.04 1.61 -0.12 -0.16 -1.86 117.98 112.22 3hei s PHE 151 Ca 0.11 0.29 0.09 0.00 -0.05 0.00 0.00 56.93 57.36 3hei s PHE 151 Cb -0.02 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 3hei s PHE 151 CO 0.08 -0.79 -0.25 0.71 -0.05 0.00 0.00 175.22 174.93 3hei s TYR 152 N -3.52 2.17 0.19 3.49 1.51 0.09 0.29 117.35 121.57 3hei s TYR 152 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3hei s TYR 152 Cb -0.00 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 3hei s TYR 152 CO -0.11 0.10 0.36 -0.51 -1.11 0.00 0.00 175.55 174.28 3hei s LEU 153 N -1.14 4.26 0.02 -1.29 1.02 -1.26 -0.83 118.68 119.45 3hei s LEU 153 Ca 0.10 0.33 -0.01 0.00 0.02 0.00 0.00 54.13 54.57 3hei s LEU 153 Cb -0.10 -3.09 -0.02 0.00 0.02 0.00 0.00 46.19 43.01 3hei s LEU 153 CO 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 176.35 176.35 3hei s ALA 154 N -1.84 0.07 -0.14 4.21 0.00 -0.18 -0.93 121.76 122.94 3hei s ALA 154 Ca 0.37 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3hei s ALA 154 Cb -0.11 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3hei s ALA 154 CO 0.29 -0.16 -0.14 -0.06 0.00 0.00 0.00 175.76 175.69 3hei s PHE 155 N -1.43 2.79 -0.24 0.00 0.40 0.10 -1.01 117.98 118.60 3hei s PHE 155 Ca -0.16 -0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 55.24 3hei s PHE 155 Cb -0.10 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 3hei s PHE 155 CO -0.01 -0.36 0.06 -1.14 0.70 0.00 0.00 175.22 174.48 3hei s GLN 156 N 0.62 3.69 -0.11 0.44 0.74 -0.06 -1.00 119.66 123.98 3hei s GLN 156 Ca -0.08 -0.47 -0.13 0.00 0.05 0.00 0.00 55.36 54.73 3hei s GLN 156 Cb -0.16 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 3hei s GLN 156 CO 0.03 -0.12 0.30 0.34 -0.55 0.00 0.00 175.29 175.29 3hei s ASP 157 N 1.44 6.53 -0.15 6.67 -1.08 0.25 -1.24 116.67 129.09 3hei s ASP 157 Ca 0.05 0.63 0.16 0.00 -0.52 0.00 0.00 52.55 52.87 3hei s ASP 157 Cb -0.15 -2.19 0.33 0.00 -1.46 0.00 0.00 42.92 39.46 3hei s ASP 157 CO 0.03 0.20 1.17 2.30 0.52 0.00 0.00 175.17 179.40 3hei n ILE 158 N 2.87 1.94 0.00 4.11 -5.35 -1.26 -1.57 119.36 120.09 3hei n ILE 158 Ca -0.14 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.81 3hei n ILE 158 Cb 0.52 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 -1.28 1.95 4.01 3.28 0.00 -1.26 -4.67 105.19 107.22 3hei n GLY 159 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3hei n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hei n ALA 160 N -0.37 0.90 -3.97 4.61 0.00 -1.26 -2.09 120.51 118.33 3hei n ALA 160 Ca 0.00 -2.11 -0.30 0.00 0.00 0.00 0.00 53.44 51.03 3hei n ALA 160 Cb 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 3hei n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hei s VAL 162 N 0.20 1.35 -0.12 0.00 1.01 0.24 -1.26 120.40 121.81 3hei s VAL 162 Ca 0.15 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3hei s VAL 162 Cb -0.23 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3hei s VAL 162 CO -0.03 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.29 3hei s ALA 163 N -0.41 1.76 -0.37 5.51 0.00 -0.49 -1.99 121.76 125.77 3hei s ALA 163 Ca 0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 3hei s ALA 163 Cb -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.17 3hei s ALA 163 CO -0.01 -0.18 0.20 -1.17 0.00 0.00 0.00 175.76 174.60 3hei s LEU 164 N 1.16 4.69 -0.11 0.00 2.96 -0.11 0.38 118.68 127.64 3hei s LEU 164 Ca -0.03 -0.98 0.17 0.00 -0.22 0.00 0.00 54.13 53.07 3hei s LEU 164 Cb -0.14 -2.02 -0.24 0.00 0.50 0.00 0.00 46.19 44.29 3hei s LEU 164 CO -0.05 -0.38 0.19 0.18 -1.32 0.00 0.00 176.35 174.98 3hei n LEU 165 N 4.99 0.00 -3.87 -0.68 4.77 0.37 -1.79 117.00 120.79 3hei n LEU 165 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 3hei n LEU 165 Cb 0.46 0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 3hei n LEU 165 CO 0.36 0.26 -0.31 -0.55 -1.33 0.00 0.00 177.39 175.82 3hei s SER 166 N -4.75 -0.01 -0.16 -1.43 0.15 -0.92 -4.32 113.70 102.26 3hei s SER 166 Ca -0.08 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 3hei s SER 166 Cb 0.08 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 3hei s SER 166 CO 0.73 -0.06 0.13 -0.69 1.20 0.00 0.00 173.24 174.55 3hei s VAL 167 N -0.20 -0.17 -0.16 4.45 1.01 -1.25 -0.92 120.40 123.16 3hei s VAL 167 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3hei s VAL 167 Cb -0.02 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.85 3hei s VAL 167 CO -0.00 -0.17 -0.18 -0.60 0.00 0.00 0.00 175.10 174.14 3hei s ARG 168 N 2.21 2.72 -0.13 2.72 3.52 0.17 -1.54 118.95 128.62 3hei s ARG 168 Ca 0.04 -0.73 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3hei s ARG 168 Cb -0.15 -2.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 3hei s ARG 168 CO -0.09 -0.17 -0.16 0.08 -0.81 0.00 0.00 175.30 174.16 3hei s VAL 169 N 1.23 2.72 0.15 7.11 1.01 -0.01 -0.69 120.40 131.91 3hei s VAL 169 Ca 0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3hei s VAL 169 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3hei s VAL 169 CO -0.09 0.53 0.20 -0.72 0.00 0.00 0.00 175.10 175.01 3hei s TYR 170 N 0.52 0.56 0.27 5.22 -0.85 -0.60 0.72 117.35 123.18 3hei s TYR 170 Ca -0.10 -0.93 0.07 0.00 -0.52 0.00 0.00 57.07 55.59 3hei s TYR 170 Cb -0.16 -0.21 -0.06 0.00 0.38 0.00 0.00 41.96 41.91 3hei s TYR 170 CO 0.04 -0.64 -0.07 1.52 -1.52 0.00 0.00 175.55 174.88 3hei s TYR 171 N -3.99 1.90 -0.14 -3.49 -0.85 -0.71 -1.11 117.35 108.96 3hei s TYR 171 Ca 0.19 -0.69 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3hei s TYR 171 Cb 0.05 -1.05 -0.03 0.00 0.38 0.00 0.00 41.96 41.30 3hei s TYR 171 CO 0.00 0.28 0.02 0.15 -1.52 0.00 0.00 175.55 174.48 3hei s LYS 172 N -3.72 3.53 -0.52 -3.49 1.02 -1.26 -2.26 119.74 113.04 3hei s LYS 172 Ca 0.28 -0.41 -0.18 0.00 0.02 0.00 0.00 55.97 55.69 3hei s LYS 172 Cb 0.03 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.44 3hei s LYS 172 CO 0.11 0.43 0.57 0.21 -0.92 0.00 0.00 175.35 175.76 3hei s LYS 173 N -0.12 3.05 0.00 1.68 2.20 -1.26 -4.98 119.74 120.31 3hei s LYS 173 Ca 0.05 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 3hei s LYS 173 Cb -0.12 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.03 3hei s LYS 173 CO 0.02 -1.26 0.00 0.00 -0.36 0.00 0.00 175.35 173.75