#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpn s VAL 2 N 0.00 3.59 -0.23 2.62 1.01 -0.56 -4.97 120.40 121.85 3hpn s VAL 2 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 3hpn s VAL 2 Cb 0.00 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3hpn s VAL 2 CO 0.00 0.21 0.59 -0.69 0.00 0.00 0.00 175.10 175.20 3hpn s VAL 3 N 1.46 5.03 -0.21 2.92 1.01 -1.26 -1.84 120.40 127.51 3hpn s VAL 3 Ca 0.03 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.11 3hpn s VAL 3 Cb -0.16 -3.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 3hpn s VAL 3 CO -0.00 0.09 -0.02 0.18 0.00 0.00 0.00 175.10 175.35 3hpn n LEU 4 N 5.31 2.28 -3.82 3.92 4.77 0.12 -4.95 117.00 124.62 3hpn n LEU 4 Ca -0.02 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3hpn n LEU 4 Cb 0.50 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 3hpn n LEU 4 CO 0.42 0.82 -0.20 -0.22 -1.33 0.00 0.00 177.39 176.89 3hpn s LEU 5 N -6.41 1.43 -0.35 2.23 2.96 -1.10 -4.96 118.68 112.47 3hpn s LEU 5 Ca -0.27 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3hpn s LEU 5 Cb 0.08 0.52 0.15 0.00 0.50 0.00 0.00 46.19 47.44 3hpn s LEU 5 CO 0.68 -0.06 0.35 -0.62 -1.32 0.00 0.00 176.35 175.39 3hpn s ASP 6 N 0.04 1.31 0.18 3.68 3.68 -1.25 -0.46 116.67 123.85 3hpn s ASP 6 Ca -0.00 -1.36 -0.13 0.00 2.13 0.00 0.00 52.55 53.19 3hpn s ASP 6 Cb -0.01 0.54 0.12 0.00 -1.45 0.00 0.00 42.92 42.12 3hpn s ASP 6 CO 0.00 -0.30 1.82 0.15 0.13 0.00 0.00 175.17 176.97 3hpn h PHE 7 N 7.39 0.61 0.00 -5.34 3.57 -1.25 -2.60 116.94 119.32 3hpn h PHE 7 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hpn h PHE 7 Cb 1.06 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3hpn h PHE 7 CO 0.31 0.34 0.00 0.00 -2.23 0.00 0.00 178.31 176.74 3hpn h ALA 8 N 1.25 1.00 -2.60 2.41 0.00 -1.83 -3.17 119.26 116.33 3hpn h ALA 8 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.67 3hpn h ALA 8 Cb 0.04 0.00 0.10 0.00 0.00 0.00 0.00 17.79 17.93 3hpn h ALA 8 CO -0.10 0.00 0.39 0.00 0.00 0.00 0.00 179.25 179.54 3hpn s ALA 9 N -3.32 2.51 -0.31 0.00 0.00 -0.98 -4.86 121.76 114.80 3hpn s ALA 9 Ca 0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 3hpn s ALA 9 Cb 0.09 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 3hpn s ALA 9 CO 0.52 -1.77 1.70 0.00 0.00 0.00 0.00 175.76 176.21 3hpn n ALA 10 N -3.39 3.24 0.00 0.00 0.00 -1.26 -0.95 120.51 118.15 3hpn n ALA 10 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3hpn n ALA 10 Cb 0.61 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3hpn n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpn n GLY 11 N 3.33 -0.54 0.14 0.00 0.00 -1.26 -5.00 105.19 101.87 3hpn n GLY 11 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3hpn n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hpn h GLY 12 N 0.00 0.00 2.00 -0.02 0.00 -1.10 -3.00 103.07 100.94 3hpn h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hpn h GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 3hpn n GLU 13 N -2.40 0.02 -3.17 4.80 0.00 -1.20 -4.57 120.64 114.13 3hpn n GLU 13 Ca 0.03 0.09 -0.34 0.00 0.00 0.00 0.00 57.16 56.94 3hpn n GLU 13 Cb 0.32 -1.53 -0.06 0.00 0.00 0.00 0.00 31.44 30.17 3hpn n GLU 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hpn s LEU 14 N -3.13 4.23 0.00 -1.84 2.01 -1.14 -4.55 118.68 114.27 3hpn s LEU 14 Ca 0.12 1.29 0.00 0.00 0.01 0.00 0.00 54.13 55.55 3hpn s LEU 14 Cb 0.16 -3.72 0.00 0.00 0.01 0.00 0.00 46.19 42.63 3hpn s LEU 14 CO 0.46 -0.05 0.00 0.61 1.01 0.00 0.00 176.35 178.38 3hpn n GLY 15 N 0.29 0.74 3.92 -3.19 0.00 -1.26 -4.87 105.19 100.82 3hpn n GLY 15 Ca -0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3hpn n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hpn s TRP 16 N -2.00 3.48 -0.06 1.61 0.52 -1.26 -3.42 118.94 117.80 3hpn s TRP 16 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 56.10 56.52 3hpn s TRP 16 Cb 0.00 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3hpn s TRP 16 CO 0.00 0.39 -0.10 -1.17 0.02 0.00 0.00 176.95 176.09 3hpn s LEU 17 N -3.19 3.01 -0.07 2.99 0.20 0.14 -4.97 118.68 116.80 3hpn s LEU 17 Ca 0.39 -0.09 0.05 0.00 0.69 0.00 0.00 54.13 55.18 3hpn s LEU 17 Cb -0.11 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 3hpn s LEU 17 CO 0.28 0.35 -0.24 0.42 -0.29 0.00 0.00 176.35 176.88 3hpn s THR 18 N -0.75 1.97 -0.05 3.68 -4.23 -1.26 -0.36 115.64 114.64 3hpn s THR 18 Ca 0.12 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3hpn s THR 18 Cb -0.11 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 72.09 3hpn s THR 18 CO 0.01 0.55 0.11 -2.28 -0.54 0.00 0.00 174.62 172.47 3hpn s HIS 19 N -0.01 -0.09 0.61 3.99 5.04 0.51 -3.81 115.29 121.53 3hpn s HIS 19 Ca -0.08 0.39 -0.15 0.00 -1.54 0.00 0.00 55.06 53.69 3hpn s HIS 19 Cb -0.15 -0.20 -0.03 0.00 0.04 0.00 0.00 32.58 32.24 3hpn s HIS 19 CO 0.05 -0.17 1.05 -1.25 -2.34 0.00 0.00 174.74 172.08 3hpn s PRO 20 N 1.46 3.28 0.00 2.88 0.05 -1.26 0.78 135.00 142.19 3hpn s PRO 20 Ca -0.05 1.13 -0.16 0.00 0.05 0.00 0.00 61.00 61.96 3hpn s PRO 20 Cb -0.12 -2.03 -0.06 0.00 0.05 0.00 0.00 34.50 32.34 3hpn s PRO 20 CO -0.05 -0.83 0.46 -0.47 0.05 0.00 0.00 177.00 176.16 3hpn s TYR 21 N -2.60 3.72 0.00 0.56 5.04 -1.25 -4.41 117.35 118.40 3hpn s TYR 21 Ca 0.62 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3hpn s TYR 21 Cb -0.15 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 39.78 3hpn s TYR 21 CO 0.41 0.56 0.00 0.41 -1.34 0.00 0.00 175.55 175.58 3hpn n GLY 22 N 2.02 3.22 0.00 8.97 0.00 -1.26 -4.96 105.19 113.19 3hpn n GLY 22 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3hpn n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hpn n LYS 23 N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.04 118.16 118.49 3hpn n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hpn n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hpn n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hpn n GLY 24 N 5.00 0.51 3.76 0.72 0.00 -1.26 -4.67 105.19 109.25 3hpn n GLY 24 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3hpn n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hpn s TRP 25 N 0.00 2.52 -0.11 1.61 0.52 -1.26 -4.67 118.94 117.55 3hpn s TRP 25 Ca 0.00 1.32 -0.04 0.00 0.02 0.00 0.00 56.10 57.40 3hpn s TRP 25 Cb 0.00 -3.83 0.05 0.00 -1.15 0.00 0.00 33.47 28.54 3hpn s TRP 25 CO 0.00 -2.71 0.22 0.34 0.02 0.00 0.00 176.95 174.82 3hpn s ASP 26 N -0.65 0.29 -0.23 2.95 -1.08 -0.28 -4.85 116.67 112.82 3hpn s ASP 26 Ca 0.62 0.48 -0.29 0.00 -0.52 0.00 0.00 52.55 52.84 3hpn s ASP 26 Cb -0.42 0.48 0.01 0.00 -1.46 0.00 0.00 42.92 41.53 3hpn s ASP 26 CO 0.53 -0.22 1.04 -0.22 0.52 0.00 0.00 175.17 176.82 3hpn s LEU 27 N 2.04 4.10 0.00 -1.34 2.96 -1.26 -1.09 118.68 124.09 3hpn s LEU 27 Ca -0.01 1.38 0.06 0.00 -0.22 0.00 0.00 54.13 55.34 3hpn s LEU 27 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3hpn s LEU 27 CO -0.08 -0.66 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.05 3hpn s MET 28 N 3.18 1.53 -0.38 1.98 -1.94 -0.48 -4.97 119.30 118.21 3hpn s MET 28 Ca 0.44 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.54 3hpn s MET 28 Cb -0.15 -1.52 0.03 0.00 2.01 0.00 0.00 34.83 35.19 3hpn s MET 28 CO 0.06 0.41 0.22 -1.14 -0.01 0.00 0.00 175.02 174.56 3hpn s GLN 29 N -0.65 2.85 0.46 2.03 0.74 -1.26 -1.59 119.66 122.23 3hpn s GLN 29 Ca 0.07 -1.07 -0.05 0.00 0.05 0.00 0.00 55.36 54.36 3hpn s GLN 29 Cb -0.08 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 3hpn s GLN 29 CO -0.00 -0.70 0.76 -0.80 -0.55 0.00 0.00 175.29 174.00 3hpn s ASN 30 N 1.57 6.29 -0.06 6.67 0.01 -0.15 -4.89 114.94 124.37 3hpn s ASN 30 Ca 0.02 0.90 0.02 0.00 -0.71 0.00 0.00 52.86 53.10 3hpn s ASN 30 Cb -0.19 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3hpn s ASN 30 CO 0.07 -0.54 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.38 3hpn s ILE 31 N -2.67 1.01 -0.06 0.60 1.01 -1.26 0.16 121.20 120.00 3hpn s ILE 31 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3hpn s ILE 31 Cb -0.10 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.46 3hpn s ILE 31 CO 0.43 0.33 0.00 -0.32 0.00 0.00 0.00 174.94 175.38 3hpn s MET 32 N 0.63 0.51 -1.43 2.79 1.75 -0.47 -4.84 119.30 118.26 3hpn s MET 32 Ca -0.13 0.10 -0.02 0.00 -1.25 0.00 0.00 55.69 54.39 3hpn s MET 32 Cb -0.15 -0.82 0.02 0.00 2.84 0.00 0.00 34.83 36.72 3hpn s MET 32 CO 0.03 -0.25 0.49 0.09 -0.65 0.00 0.00 175.02 174.73 3hpn n ASN 33 N 4.84 -0.76 0.00 1.11 3.02 -1.26 0.05 115.26 122.25 3hpn n ASN 33 Ca -0.12 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3hpn n ASN 33 Cb 0.50 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.54 3hpn n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hpn n ASP 34 N -2.96 -1.59 -4.67 6.41 9.92 -1.26 -4.98 116.55 117.42 3hpn n ASP 34 Ca -0.27 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.61 3hpn n ASP 34 Cb 0.66 -2.28 -0.07 0.00 -0.64 0.00 0.00 41.12 38.80 3hpn n ASP 34 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3hpn s MET 35 N -1.04 4.20 0.05 -1.24 -1.94 0.11 -5.04 119.30 114.40 3hpn s MET 35 Ca 0.00 0.33 -0.31 0.00 -1.71 0.00 0.00 55.69 54.00 3hpn s MET 35 Cb 0.00 -3.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.23 3hpn s MET 35 CO 0.00 -0.07 1.42 -1.25 -0.01 0.00 0.00 175.02 175.11 3hpn s PRO 36 N 1.40 4.29 -0.29 2.03 0.04 -1.26 -1.36 135.00 139.84 3hpn s PRO 36 Ca 0.22 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.33 3hpn s PRO 36 Cb -0.15 -3.46 0.08 0.00 0.04 0.00 0.00 34.50 31.01 3hpn s PRO 36 CO 0.09 -0.54 -0.03 -1.50 0.04 0.00 0.00 177.00 175.06 3hpn s ILE 37 N 1.94 2.12 0.37 0.56 2.07 0.42 -4.96 121.20 123.72 3hpn s ILE 37 Ca 0.65 -1.90 -0.10 0.00 -1.41 0.00 0.00 60.65 57.89 3hpn s ILE 37 Cb -0.34 -2.39 -0.07 0.00 0.13 0.00 0.00 42.46 39.79 3hpn s ILE 37 CO 0.28 -0.30 0.73 -0.31 -1.91 0.00 0.00 174.94 173.43 3hpn s TYR 38 N 1.06 3.46 0.03 3.50 1.51 -1.26 -0.98 117.35 124.67 3hpn s TYR 38 Ca 0.00 1.00 -0.18 0.00 -1.01 0.00 0.00 57.07 56.88 3hpn s TYR 38 Cb -0.19 -2.40 0.04 0.00 -0.11 0.00 0.00 41.96 39.29 3hpn s TYR 38 CO -0.07 -0.03 0.41 0.00 -1.11 0.00 0.00 175.55 174.76 3hpn s MET 39 N -3.65 0.89 -0.20 -0.62 0.23 -0.62 -4.77 119.30 110.55 3hpn s MET 39 Ca 0.50 -0.31 -0.09 0.00 -1.03 0.00 0.00 55.69 54.76 3hpn s MET 39 Cb -0.10 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.55 3hpn s MET 39 CO 0.29 -0.30 0.11 0.71 -2.03 0.00 0.00 175.02 173.80 3hpn s TYR 40 N -2.25 3.34 0.00 3.16 1.51 -0.02 -1.38 117.35 121.70 3hpn s TYR 40 Ca -0.07 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.20 3hpn s TYR 40 Cb -0.01 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3hpn s TYR 40 CO -0.01 0.19 0.01 0.45 -1.11 0.00 0.00 175.55 175.08 3hpn s SER 41 N 0.51 0.08 -0.16 2.29 0.15 -0.25 -0.01 113.70 116.32 3hpn s SER 41 Ca 0.06 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 3hpn s SER 41 Cb -0.12 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 3hpn s SER 41 CO -0.00 -0.13 0.42 0.54 1.20 0.00 0.00 173.24 175.27 3hpn s VAL 42 N -0.60 0.00 -0.40 4.45 0.11 -0.92 -1.13 120.40 121.92 3hpn s VAL 42 Ca -0.07 -0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 3hpn s VAL 42 Cb -0.04 -0.59 0.35 0.00 -1.53 0.00 0.00 36.38 34.57 3hpn s VAL 42 CO -0.00 -0.00 0.98 0.00 -3.33 0.00 0.00 175.10 172.75 3hpn n ASN 44 N 0.17 5.32 0.07 0.00 5.03 -1.26 -4.75 115.26 119.85 3hpn n ASN 44 Ca 0.12 -3.17 0.12 0.00 0.87 0.00 0.00 54.58 52.53 3hpn n ASN 44 Cb 0.72 -1.44 0.12 0.00 -1.02 0.00 0.00 39.78 38.16 3hpn n ASN 44 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 3hpn h VAL 45 N 3.67 0.00 -0.01 2.41 -1.51 -1.82 -3.37 116.25 115.63 3hpn h VAL 45 Ca 0.36 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3hpn h VAL 45 Cb 0.62 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3hpn h VAL 45 CO 1.58 0.00 -0.48 0.23 -1.23 0.00 0.00 177.57 177.67 3hpn n MET 46 N -2.24 0.87 -4.63 5.19 2.81 -1.26 -3.43 117.12 114.44 3hpn n MET 46 Ca 0.02 -0.67 -0.25 0.00 -1.81 0.00 0.00 57.70 55.00 3hpn n MET 46 Cb 0.47 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 3hpn n MET 46 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hpn s SER 47 N -2.58 2.37 0.85 7.83 1.04 -1.26 -4.98 113.70 116.97 3hpn s SER 47 Ca 0.18 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 3hpn s SER 47 Cb 0.18 -0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.20 3hpn s SER 47 CO 0.60 0.15 0.57 0.61 0.98 0.00 0.00 173.24 176.15 3hpn n GLY 48 N 1.89 -0.64 2.51 7.32 0.00 -1.26 -4.49 105.19 110.52 3hpn n GLY 48 Ca -0.17 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 3hpn n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hpn n ASP 49 N -3.25 -5.78 -4.74 1.61 10.43 -1.26 -4.95 116.55 108.61 3hpn n ASP 49 Ca 0.08 -0.08 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 3hpn n ASP 49 Cb 0.27 -4.75 -0.03 0.00 1.84 0.00 0.00 41.12 38.44 3hpn n ASP 49 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hpn s GLN 50 N -5.14 4.47 -0.45 -1.24 -1.52 -1.26 -4.95 119.66 109.57 3hpn s GLN 50 Ca 0.06 1.92 0.07 0.00 -1.95 0.00 0.00 55.36 55.46 3hpn s GLN 50 Cb -0.03 -3.22 0.23 0.00 -0.22 0.00 0.00 33.01 29.77 3hpn s GLN 50 CO 0.08 -0.11 0.72 -3.47 -0.25 0.00 0.00 175.29 172.25 3hpn n ASP 51 N 2.43 -1.79 -4.65 5.90 4.64 -1.21 -4.34 116.55 117.53 3hpn n ASP 51 Ca 0.04 -3.01 -0.35 0.00 -1.38 0.00 0.00 54.79 50.10 3hpn n ASP 51 Cb 0.44 0.86 -0.10 0.00 -1.04 0.00 0.00 41.12 41.29 3hpn n ASP 51 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3hpn s ASN 52 N -1.17 5.36 -0.05 1.67 0.01 -0.25 -4.50 114.94 116.00 3hpn s ASN 52 Ca 0.33 0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.62 3hpn s ASN 52 Cb 0.18 -1.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.09 3hpn s ASN 52 CO -0.18 0.27 -0.21 0.26 -1.51 0.00 0.00 177.10 175.73 3hpn s TRP 53 N -0.25 2.08 -0.13 2.20 0.52 0.23 0.72 118.94 124.33 3hpn s TRP 53 Ca 0.07 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.57 3hpn s TRP 53 Cb -0.12 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 3hpn s TRP 53 CO 0.02 -0.21 -0.16 -1.17 0.02 0.00 0.00 176.95 175.45 3hpn s LEU 54 N -0.02 1.79 -0.08 2.99 2.96 0.35 -0.36 118.68 126.31 3hpn s LEU 54 Ca -0.05 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 3hpn s LEU 54 Cb -0.13 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.37 3hpn s LEU 54 CO 0.03 0.00 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.26 3hpn s ARG 55 N 1.12 2.51 1.08 1.98 3.52 0.51 0.46 118.95 130.13 3hpn s ARG 55 Ca -0.03 -0.75 -0.12 0.00 -0.13 0.00 0.00 55.73 54.70 3hpn s ARG 55 Cb -0.14 -1.99 0.24 0.00 -1.56 0.00 0.00 34.95 31.50 3hpn s ARG 55 CO -0.05 0.19 1.06 0.95 -0.81 0.00 0.00 175.30 176.64 3hpn s THR 56 N 0.29 2.09 1.11 4.11 -4.23 -0.46 -0.68 115.64 117.88 3hpn s THR 56 Ca -0.14 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 3hpn s THR 56 Cb -0.16 -2.14 0.25 0.00 1.34 0.00 0.00 72.50 71.80 3hpn s THR 56 CO 0.06 -0.04 1.05 0.54 -0.54 0.00 0.00 174.62 175.69 3hpn s ASN 57 N -2.68 1.44 0.21 3.99 4.22 -1.22 -4.67 114.94 116.23 3hpn s ASN 57 Ca 0.67 1.54 -0.31 0.00 -2.14 0.00 0.00 52.86 52.62 3hpn s ASN 57 Cb -0.24 -2.26 -0.11 0.00 1.28 0.00 0.00 41.25 39.92 3hpn s ASN 57 CO 0.62 -3.92 1.63 0.86 -2.04 0.00 0.00 177.10 174.25 3hpn s TRP 58 N -2.56 2.94 -0.15 1.54 -0.00 -1.26 -4.71 118.94 114.74 3hpn s TRP 58 Ca 0.68 0.56 0.01 0.00 -0.00 0.00 0.00 56.10 57.35 3hpn s TRP 58 Cb -0.24 -4.03 0.02 0.00 -0.00 0.00 0.00 33.47 29.22 3hpn s TRP 58 CO 0.63 -3.78 -0.19 0.08 -0.00 0.00 0.00 176.95 173.69 3hpn s VAL 59 N 0.89 1.87 0.40 5.86 1.01 -0.22 -4.97 120.40 125.24 3hpn s VAL 59 Ca 0.70 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3hpn s VAL 59 Cb -0.47 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 3hpn s VAL 59 CO 0.35 0.51 1.35 -0.31 0.00 0.00 0.00 175.10 177.00 3hpn s TYR 60 N 1.12 2.75 0.06 5.22 1.51 -1.26 -0.29 117.35 126.46 3hpn s TYR 60 Ca -0.01 1.36 -0.08 0.00 -1.01 0.00 0.00 57.07 57.33 3hpn s TYR 60 Cb -0.14 -3.76 -0.31 0.00 -0.11 0.00 0.00 41.96 37.65 3hpn s TYR 60 CO -0.07 -2.32 1.09 -0.09 -1.11 0.00 0.00 175.55 173.05 3hpn h ARG 61 N 2.73 0.35 0.00 -0.62 2.43 -1.22 -3.46 114.38 114.59 3hpn h ARG 61 Ca -0.50 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.07 3hpn h ARG 61 Cb 1.25 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 3hpn h ARG 61 CO 0.63 1.28 0.00 0.41 -1.51 0.00 0.00 179.97 180.78 3hpn n GLY 62 N 1.59 3.45 1.15 2.80 0.00 -1.26 -1.94 105.19 110.98 3hpn n GLY 62 Ca -0.11 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3hpn n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hpn n GLU 63 N 14.00 2.49 -1.77 1.61 0.28 -1.26 -4.98 120.64 131.01 3hpn n GLU 63 Ca 0.00 -2.26 -0.41 0.00 -0.16 0.00 0.00 57.16 54.33 3hpn n GLU 63 Cb 0.00 -1.51 -0.01 0.00 1.43 0.00 0.00 31.44 31.35 3hpn n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hpn n ALA 64 N 1.44 2.51 -0.05 -1.84 0.00 -0.82 -4.94 120.51 116.81 3hpn n ALA 64 Ca 0.20 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 3hpn n ALA 64 Cb 0.59 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 3hpn n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hpn n GLU 65 N 1.19 0.21 -4.07 0.00 1.02 -1.26 -4.65 120.64 113.08 3hpn n GLU 65 Ca 0.04 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 3hpn n GLU 65 Cb 0.38 -0.88 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 3hpn n GLU 65 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hpn s ARG 66 N -2.18 3.17 0.06 3.49 3.52 -1.26 -0.08 118.95 125.66 3hpn s ARG 66 Ca -0.14 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 3hpn s ARG 66 Cb 0.05 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 3hpn s ARG 66 CO 0.18 -0.18 0.20 0.96 -0.81 0.00 0.00 175.30 175.64 3hpn s ILE 67 N 1.32 5.31 -0.09 4.11 -4.36 -0.50 -4.43 121.20 122.56 3hpn s ILE 67 Ca 0.04 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 3hpn s ILE 67 Cb -0.14 -3.58 -0.03 0.00 1.25 0.00 0.00 42.46 39.96 3hpn s ILE 67 CO -0.08 0.15 -0.08 -0.36 0.24 0.00 0.00 174.94 174.81 3hpn s PHE 68 N -1.49 2.90 -0.20 1.37 0.40 0.36 -1.84 117.98 119.48 3hpn s PHE 68 Ca 0.34 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 3hpn s PHE 68 Cb -0.13 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.67 3hpn s PHE 68 CO 0.27 0.16 -0.16 0.42 0.70 0.00 0.00 175.22 176.61 3hpn s ILE 69 N -0.40 1.99 -0.19 0.64 1.01 0.19 -0.55 121.20 123.89 3hpn s ILE 69 Ca 0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 3hpn s ILE 69 Cb -0.12 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3hpn s ILE 69 CO 0.02 0.32 -0.02 -0.70 0.00 0.00 0.00 174.94 174.55 3hpn s GLU 70 N 1.27 3.57 -0.11 2.79 2.12 0.15 -1.30 118.70 127.19 3hpn s GLU 70 Ca 0.00 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.80 3hpn s GLU 70 Cb -0.15 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 3hpn s GLU 70 CO -0.10 0.04 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.98 3hpn s LEU 71 N 0.91 2.49 -0.10 2.70 1.43 0.94 -0.77 118.68 126.29 3hpn s LEU 71 Ca 0.00 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3hpn s LEU 71 Cb -0.14 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3hpn s LEU 71 CO 0.01 0.18 -0.24 -0.54 0.23 0.00 0.00 176.35 176.00 3hpn s LYS 72 N 0.26 2.99 0.16 1.70 1.02 -0.46 -1.05 119.74 124.36 3hpn s LYS 72 Ca -0.12 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 54.76 3hpn s LYS 72 Cb -0.16 -2.30 0.07 0.00 -0.52 0.00 0.00 37.83 34.92 3hpn s LYS 72 CO 0.06 0.21 0.63 -0.59 -0.92 0.00 0.00 175.35 174.74 3hpn s PHE 73 N 0.27 -0.51 0.15 3.18 -0.12 -0.70 0.44 117.98 120.70 3hpn s PHE 73 Ca -0.16 0.28 0.10 0.00 -0.05 0.00 0.00 56.93 57.10 3hpn s PHE 73 Cb -0.17 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3hpn s PHE 73 CO 0.08 -0.86 -0.23 0.95 -0.05 0.00 0.00 175.22 175.12 3hpn s THR 74 N -3.72 2.08 -0.09 -4.49 -4.23 -0.33 -0.13 115.64 104.72 3hpn s THR 74 Ca 0.02 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 3hpn s THR 74 Cb -0.01 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.94 3hpn s THR 74 CO -0.11 -0.10 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.09 3hpn s VAL 75 N -1.50 1.03 0.23 2.29 1.01 -1.26 -0.97 120.40 121.23 3hpn s VAL 75 Ca 0.15 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3hpn s VAL 75 Cb -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 3hpn s VAL 75 CO 0.07 0.35 1.07 -0.60 0.00 0.00 0.00 175.10 176.00 3hpn s ARG 76 N 1.33 4.66 0.14 2.72 3.52 0.50 -1.02 118.95 130.80 3hpn s ARG 76 Ca -0.02 1.72 -0.31 0.00 -0.13 0.00 0.00 55.73 56.98 3hpn s ARG 76 Cb -0.14 -3.24 -0.11 0.00 -1.56 0.00 0.00 34.95 29.91 3hpn s ARG 76 CO -0.04 0.21 1.79 0.34 -0.81 0.00 0.00 175.30 176.79 3hpn s ASP 77 N -0.64 6.43 0.59 -2.12 3.68 -0.21 -4.62 116.67 119.78 3hpn s ASP 77 Ca 0.46 2.76 0.31 0.00 2.13 0.00 0.00 52.55 58.20 3hpn s ASP 77 Cb -0.30 -2.57 1.82 0.00 -1.45 0.00 0.00 42.92 40.42 3hpn s ASP 77 CO 0.37 -0.98 2.23 0.00 0.13 0.00 0.00 175.17 176.92 3hpn n ASN 79 N -3.72 0.00 -0.57 0.00 5.03 -1.26 -3.33 115.26 111.41 3hpn n ASN 79 Ca -0.03 -0.65 0.09 0.00 0.87 0.00 0.00 54.58 54.86 3hpn n ASN 79 Cb 0.11 -0.10 0.32 0.00 -1.02 0.00 0.00 39.78 39.08 3hpn n ASN 79 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hpn n SER 80 N -1.10 1.68 -4.24 6.41 3.41 -0.22 -4.63 113.62 114.93 3hpn n SER 80 Ca 0.19 -1.78 -0.43 0.00 -0.26 0.00 0.00 58.87 56.60 3hpn n SER 80 Cb 0.15 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 3hpn n SER 80 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hpn s PHE 81 N -1.72 3.40 0.69 7.33 0.40 -1.21 -4.98 117.98 121.88 3hpn s PHE 81 Ca 0.30 -1.75 -0.17 0.00 -0.60 0.00 0.00 56.93 54.71 3hpn s PHE 81 Cb 0.16 -3.59 -0.08 0.00 0.51 0.00 0.00 43.02 40.02 3hpn s PHE 81 CO 0.23 -1.00 0.26 -2.30 0.70 0.00 0.00 175.22 173.12 3hpn n PRO 82 N 4.90 0.23 0.00 0.24 -0.02 -1.26 -3.02 135.00 136.07 3hpn n PRO 82 Ca -0.08 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3hpn n PRO 82 Cb 0.41 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3hpn n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpn n GLY 83 N 2.02 2.66 0.00 -1.23 0.00 -1.26 -4.62 105.19 102.76 3hpn n GLY 83 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hpn n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpn n GLY 84 N -0.61 -1.28 3.62 -0.02 0.00 -1.17 -5.04 105.19 100.69 3hpn n GLY 84 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 3hpn n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpn n ALA 85 N 0.00 -2.64 0.32 4.61 0.00 -1.26 -4.87 120.51 116.67 3hpn n ALA 85 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.36 3hpn n ALA 85 Cb 0.00 -2.23 0.61 0.00 0.00 0.00 0.00 19.45 17.83 3hpn n ALA 85 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hpn h SER 86 N -0.89 0.00 -0.44 0.00 4.64 -1.95 -2.73 113.55 112.17 3hpn h SER 86 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3hpn h SER 86 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3hpn h SER 86 CO 0.41 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 3hpn n SER 87 N -2.79 3.39 -4.76 4.97 3.41 -1.26 -4.96 113.62 111.62 3hpn n SER 87 Ca 0.01 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.25 3hpn n SER 87 Cb 0.29 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3hpn n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hpn s LYS 89 N -1.72 1.86 -0.16 0.00 -0.14 0.36 -4.96 119.74 114.98 3hpn s LYS 89 Ca 0.48 -1.54 0.17 0.00 -1.36 0.00 0.00 55.97 53.73 3hpn s LYS 89 Cb -0.32 -1.95 0.41 0.00 -1.68 0.00 0.00 37.83 34.28 3hpn s LYS 89 CO 0.42 0.37 1.28 0.39 -0.76 0.00 0.00 175.35 177.05 3hpn n GLU 90 N -0.36 2.00 -4.24 1.68 1.02 -1.26 -4.12 120.64 115.36 3hpn n GLU 90 Ca -0.08 -2.75 -0.13 0.00 -0.02 0.00 0.00 57.16 54.18 3hpn n GLU 90 Cb 0.58 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 3hpn n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hpn s THR 91 N -2.89 0.22 0.19 2.62 -4.23 -1.26 -4.29 115.64 106.00 3hpn s THR 91 Ca 0.37 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 3hpn s THR 91 Cb 0.32 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 3hpn s THR 91 CO 0.05 -0.04 0.29 0.72 -0.54 0.00 0.00 174.62 175.10 3hpn s PHE 92 N -4.00 0.56 0.02 3.99 -0.12 -0.79 -4.57 117.98 113.07 3hpn s PHE 92 Ca 0.37 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3hpn s PHE 92 Cb 0.07 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 3hpn s PHE 92 CO 0.12 -0.76 -0.04 -0.80 -0.05 0.00 0.00 175.22 173.68 3hpn s ASN 93 N -3.02 4.79 -0.15 1.98 0.01 -0.68 0.75 114.94 118.62 3hpn s ASN 93 Ca 0.23 -0.13 -0.02 0.00 -0.71 0.00 0.00 52.86 52.23 3hpn s ASN 93 Cb 0.03 -1.15 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 3hpn s ASN 93 CO 0.05 0.26 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.60 3hpn s LEU 94 N -1.62 2.97 0.20 0.60 2.96 -0.75 -1.72 118.68 121.33 3hpn s LEU 94 Ca 0.19 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3hpn s LEU 94 Cb -0.11 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3hpn s LEU 94 CO 0.10 0.15 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.97 3hpn s TYR 95 N 0.47 1.39 0.19 5.38 1.51 0.21 -0.28 117.35 126.24 3hpn s TYR 95 Ca -0.06 -0.97 -0.12 0.00 -1.01 0.00 0.00 57.07 54.91 3hpn s TYR 95 Cb -0.15 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 3hpn s TYR 95 CO 0.04 -0.12 0.39 1.52 -1.11 0.00 0.00 175.55 176.27 3hpn s TYR 96 N -3.53 0.27 -0.16 2.71 -0.85 -0.37 -0.23 117.35 115.19 3hpn s TYR 96 Ca 0.26 -0.62 -0.14 0.00 -0.52 0.00 0.00 57.07 56.05 3hpn s TYR 96 Cb 0.06 0.12 0.04 0.00 0.38 0.00 0.00 41.96 42.56 3hpn s TYR 96 CO 0.06 -0.84 0.41 0.00 -1.52 0.00 0.00 175.55 173.67 3hpn s ALA 97 N -3.96 -1.03 0.13 9.51 0.00 -0.87 -0.20 121.76 125.34 3hpn s ALA 97 Ca 0.17 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 3hpn s ALA 97 Cb 0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 3hpn s ALA 97 CO 0.02 -0.21 0.32 -1.21 0.00 0.00 0.00 175.76 174.68 3hpn s GLU 98 N 0.39 3.53 0.05 0.00 2.02 -1.26 -0.55 118.70 122.87 3hpn s GLU 98 Ca -0.01 -0.29 -0.27 0.00 0.02 0.00 0.00 54.97 54.42 3hpn s GLU 98 Cb -0.04 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.36 3hpn s GLU 98 CO -0.01 0.51 0.70 -1.54 0.02 0.00 0.00 175.26 174.93 3hpn s SER 99 N -2.65 -0.54 0.00 -0.19 1.04 -0.69 -4.95 113.70 105.72 3hpn s SER 99 Ca 0.38 0.22 0.28 0.00 0.48 0.00 0.00 55.95 57.32 3hpn s SER 99 Cb -0.12 0.53 1.12 0.00 0.10 0.00 0.00 66.02 67.65 3hpn s SER 99 CO 0.27 -0.77 1.79 0.47 0.98 0.00 0.00 173.24 175.98 3hpn n ASP 100 N 0.07 0.96 -3.83 7.02 8.00 -1.26 -1.24 116.55 126.27 3hpn n ASP 100 Ca -0.16 -1.07 -0.12 0.00 0.71 0.00 0.00 54.79 54.15 3hpn n ASP 100 Cb 0.62 0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 3hpn n ASP 100 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3hpn s LEU 101 N -2.23 1.27 -0.16 0.64 2.34 -1.26 -4.74 118.68 114.53 3hpn s LEU 101 Ca 0.34 -0.11 -0.29 0.00 0.06 0.00 0.00 54.13 54.12 3hpn s LEU 101 Cb 0.20 0.93 -0.02 0.00 -0.56 0.00 0.00 46.19 46.74 3hpn s LEU 101 CO 0.42 -0.42 1.34 -0.62 -1.06 0.00 0.00 176.35 176.01 3hpn s ASP 102 N -1.43 6.85 0.14 1.48 2.15 -1.26 -4.92 116.67 119.69 3hpn s ASP 102 Ca -0.13 1.73 0.23 0.00 0.43 0.00 0.00 52.55 54.81 3hpn s ASP 102 Cb -0.06 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 40.92 3hpn s ASP 102 CO 0.02 -0.83 1.71 -1.22 -0.17 0.00 0.00 175.17 174.67 3hpn n TYR 103 N 6.86 0.52 0.00 -5.34 4.01 -1.26 -4.99 117.16 116.95 3hpn n TYR 103 Ca 0.15 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3hpn n TYR 103 Cb 0.45 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3hpn n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hpn n GLY 104 N 0.56 3.14 0.83 2.72 0.00 -1.26 -2.23 105.19 108.96 3hpn n GLY 104 Ca 0.04 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3hpn n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hpn n THR 105 N 0.00 0.16 -2.57 2.61 -2.24 -1.26 -4.77 114.28 106.21 3hpn n THR 105 Ca 0.00 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3hpn n THR 105 Cb 0.00 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3hpn n THR 105 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hpn s ASN 106 N -1.80 6.49 -0.11 3.42 3.04 -0.95 -4.98 114.94 120.04 3hpn s ASN 106 Ca 0.34 -1.42 -0.11 0.00 0.04 0.00 0.00 52.86 51.71 3hpn s ASN 106 Cb 0.20 -2.56 -0.05 0.00 -1.54 0.00 0.00 41.25 37.31 3hpn s ASN 106 CO 0.31 -1.51 0.23 0.12 -3.04 0.00 0.00 177.10 173.21 3hpn s PHE 107 N 4.93 3.57 -0.11 0.43 5.36 -1.26 -4.86 117.98 126.04 3hpn s PHE 107 Ca 0.45 0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.02 3hpn s PHE 107 Cb -0.01 -2.14 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3hpn s PHE 107 CO -0.09 0.55 0.02 -0.65 -1.46 0.00 0.00 175.22 173.59 3hpn s GLN 108 N -0.52 0.60 0.26 10.12 -1.52 -1.26 -5.04 119.66 122.31 3hpn s GLN 108 Ca 0.16 -0.07 -0.07 0.00 -1.95 0.00 0.00 55.36 53.43 3hpn s GLN 108 Cb -0.13 -1.37 0.45 0.00 -0.22 0.00 0.00 33.01 31.74 3hpn s GLN 108 CO 0.05 -0.43 1.59 0.87 -0.25 0.00 0.00 175.29 177.12 3hpn h LYS 109 N 8.31 0.02 0.00 2.91 1.57 -1.98 -1.71 116.57 125.68 3hpn h LYS 109 Ca -0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3hpn h LYS 109 Cb 1.12 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3hpn h LYS 109 CO 0.29 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 3hpn h ARG 110 N 0.02 0.00 -0.00 3.15 3.08 -2.03 -1.50 114.38 117.09 3hpn h ARG 110 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3hpn h ARG 110 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3hpn h ARG 110 CO -0.87 0.00 -0.23 1.28 -1.07 0.00 0.00 179.97 179.07 3hpn n LEU 111 N -2.31 0.33 -4.87 3.04 4.77 -0.64 -4.87 117.00 112.44 3hpn n LEU 111 Ca 0.01 0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.81 3hpn n LEU 111 Cb 0.18 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 3hpn n LEU 111 CO 0.17 0.07 -0.04 -0.36 -1.33 0.00 0.00 177.39 175.91 3hpn s PHE 112 N -2.88 3.60 -0.13 -1.77 0.40 -0.57 -4.69 117.98 111.95 3hpn s PHE 112 Ca 0.16 0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 57.11 3hpn s PHE 112 Cb 0.19 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 3hpn s PHE 112 CO 0.59 0.63 0.00 0.99 0.70 0.00 0.00 175.22 178.13 3hpn s THR 113 N -1.24 4.29 0.19 0.64 2.01 0.72 -4.90 115.64 117.35 3hpn s THR 113 Ca 0.26 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 3hpn s THR 113 Cb -0.14 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.43 3hpn s THR 113 CO 0.14 0.54 1.29 -0.75 -0.69 0.00 0.00 174.62 175.15 3hpn s LYS 114 N -0.24 4.40 -0.17 4.92 2.20 -1.26 -1.24 119.74 128.35 3hpn s LYS 114 Ca 0.06 2.02 -0.17 0.00 -0.36 0.00 0.00 55.97 57.52 3hpn s LYS 114 Cb -0.12 -3.21 -0.13 0.00 -1.51 0.00 0.00 37.83 32.86 3hpn s LYS 114 CO 0.02 -0.23 0.13 0.82 -0.36 0.00 0.00 175.35 175.73 3hpn h ILE 115 N 3.78 0.64 -1.81 5.43 2.04 -0.98 -3.47 117.51 123.14 3hpn h ILE 115 Ca -0.45 -1.72 0.14 0.00 1.00 0.00 0.00 64.86 63.83 3hpn h ILE 115 Cb 1.21 1.45 -0.19 0.00 -0.74 0.00 0.00 36.82 38.55 3hpn h ILE 115 CO 0.77 0.22 0.60 -0.62 0.00 0.00 0.00 178.15 179.12 3hpn s ASP 116 N -6.32 -0.30 0.19 1.72 3.68 -1.21 -5.04 116.67 109.38 3hpn s ASP 116 Ca -0.21 0.14 -0.31 0.00 2.13 0.00 0.00 52.55 54.31 3hpn s ASP 116 Cb 0.03 0.29 -0.09 0.00 -1.45 0.00 0.00 42.92 41.70 3hpn s ASP 116 CO 0.43 -0.42 1.43 -0.89 0.13 0.00 0.00 175.17 175.86 3hpn s THR 117 N -2.17 2.89 -0.22 1.71 2.01 -1.26 -1.82 115.64 116.78 3hpn s THR 117 Ca 0.04 0.70 -0.09 0.00 0.31 0.00 0.00 61.69 62.64 3hpn s THR 117 Cb -0.01 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3hpn s THR 117 CO -0.04 0.08 0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 3hpn s ILE 118 N 0.53 5.12 -0.01 1.82 -1.09 0.23 -4.95 121.20 122.85 3hpn s ILE 118 Ca 0.62 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 3hpn s ILE 118 Cb -0.40 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3hpn s ILE 118 CO 0.37 0.38 -0.10 0.00 -1.23 0.00 0.00 174.94 174.36 3hpn s ALA 119 N 0.86 0.86 0.18 9.38 0.00 -1.26 -1.88 121.76 129.89 3hpn s ALA 119 Ca 0.06 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 3hpn s ALA 119 Cb -0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 3hpn s ALA 119 CO 0.03 0.19 1.06 -1.25 0.00 0.00 0.00 175.76 175.79 3hpn s PRO 120 N -0.14 4.64 0.29 0.00 0.04 -1.26 -4.92 135.00 133.65 3hpn s PRO 120 Ca 0.02 1.65 0.08 0.00 0.04 0.00 0.00 61.00 62.79 3hpn s PRO 120 Cb -0.05 -3.29 0.42 0.00 0.04 0.00 0.00 34.50 31.62 3hpn s PRO 120 CO -0.00 0.16 1.67 -0.44 0.04 0.00 0.00 177.00 178.42 3hpn h ASP 121 N 4.99 0.17 -3.34 6.66 3.45 -1.98 -3.42 116.42 122.95 3hpn h ASP 121 Ca -0.44 -0.08 -0.53 0.00 0.43 0.00 0.00 57.03 56.40 3hpn h ASP 121 Cb 1.21 -0.05 -0.39 0.00 -0.56 0.00 0.00 39.33 39.54 3hpn h ASP 121 CO 0.71 0.64 -0.77 -1.61 -1.57 0.00 0.00 179.24 176.64 3hpn s GLU 122 N -3.95 0.87 0.49 3.56 0.41 -1.26 -5.13 118.70 113.69 3hpn s GLU 122 Ca -0.03 -0.51 -0.19 0.00 -0.41 0.00 0.00 54.97 53.82 3hpn s GLU 122 Cb 0.13 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 30.24 3hpn s GLU 122 CO 0.77 -0.61 1.00 0.42 -0.49 0.00 0.00 175.26 176.35 3hpn s ILE 123 N 1.77 4.11 -0.32 -1.63 1.09 -1.26 -4.61 121.20 120.34 3hpn s ILE 123 Ca -0.02 1.21 -0.16 0.00 -1.10 0.00 0.00 60.65 60.59 3hpn s ILE 123 Cb -0.17 -3.53 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 3hpn s ILE 123 CO -0.07 -0.38 0.41 -0.89 -0.10 0.00 0.00 174.94 173.91 3hpn s THR 124 N -2.22 5.13 0.68 2.92 2.01 -0.19 -4.83 115.64 119.13 3hpn s THR 124 Ca 0.64 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.86 3hpn s THR 124 Cb -0.13 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.60 3hpn s THR 124 CO 0.22 -0.04 1.01 0.68 -0.69 0.00 0.00 174.62 175.80 3hpn s VAL 125 N 2.14 2.92 0.30 3.82 -7.23 -1.26 -1.05 120.40 120.04 3hpn s VAL 125 Ca 0.15 -0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 3hpn s VAL 125 Cb -0.16 -3.24 0.29 0.00 0.56 0.00 0.00 36.38 33.84 3hpn s VAL 125 CO 0.11 -0.27 1.75 -1.28 -0.31 0.00 0.00 175.10 175.11 3hpn h SER 126 N -0.52 0.67 1.87 4.85 0.87 -1.94 -1.63 113.55 117.73 3hpn h SER 126 Ca -0.45 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3hpn h SER 126 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3hpn h SER 126 CO 0.62 0.19 0.00 0.77 -0.53 0.00 0.00 176.83 177.88 3hpn h SER 127 N 0.66 0.00 -0.73 6.23 4.64 -2.02 -3.32 113.55 119.01 3hpn h SER 127 Ca 0.58 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.95 3hpn h SER 127 Cb 0.97 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 3hpn h SER 127 CO -0.42 0.00 0.48 0.44 -0.87 0.00 0.00 176.83 176.46 3hpn h ASP 128 N 0.00 0.71 -0.29 4.97 3.45 -1.62 -1.36 116.42 122.29 3hpn h ASP 128 Ca 0.00 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3hpn h ASP 128 Cb 0.94 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 3hpn h ASP 128 CO 0.00 0.47 0.10 -0.26 -1.57 0.00 0.00 179.24 177.98 3hpn h PHE 129 N 0.82 0.45 -0.03 4.55 -1.00 -1.68 0.12 116.94 120.17 3hpn h PHE 129 Ca 0.31 -0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.90 3hpn h PHE 129 Cb 0.18 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3hpn h PHE 129 CO -0.00 0.47 -0.63 0.93 -1.61 0.00 0.00 178.31 177.47 3hpn h GLU 130 N 0.31 0.13 0.00 1.51 5.08 -1.74 -2.63 114.58 117.23 3hpn h GLU 130 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hpn h GLU 130 Cb 0.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hpn h GLU 130 CO -0.00 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 3hpn n ALA 131 N -2.45 2.12 -3.78 3.43 0.00 -0.52 -4.88 120.51 114.43 3hpn n ALA 131 Ca -0.02 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 3hpn n ALA 131 Cb 0.63 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.77 3hpn n ALA 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hpn n ARG 132 N -1.28 -6.28 -2.27 0.00 3.00 -0.27 -4.90 116.66 104.67 3hpn n ARG 132 Ca 0.10 0.68 -0.21 0.00 -0.01 0.00 0.00 57.85 58.42 3hpn n ARG 132 Cb 0.17 -5.60 0.02 0.00 0.00 0.00 0.00 32.46 27.05 3hpn n ARG 132 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3hpn n HIS 133 N -4.73 2.64 -2.07 -1.55 -0.00 0.26 -5.03 115.22 104.74 3hpn n HIS 133 Ca -0.01 -2.46 -0.41 0.00 0.46 0.00 0.00 57.72 55.29 3hpn n HIS 133 Cb 0.56 -0.26 -0.03 0.00 -0.12 0.00 0.00 29.99 30.14 3hpn n HIS 133 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3hpn s VAL 134 N -4.65 2.84 -0.33 3.57 1.01 -1.25 -4.83 120.40 116.76 3hpn s VAL 134 Ca 0.46 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.96 3hpn s VAL 134 Cb 0.40 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3hpn s VAL 134 CO -0.03 0.10 0.42 -0.54 0.00 0.00 0.00 175.10 175.05 3hpn s LYS 135 N -0.09 3.68 -0.23 2.72 1.02 -1.26 -5.04 119.74 120.54 3hpn s LYS 135 Ca 0.60 -0.23 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 3hpn s LYS 135 Cb -0.40 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 3hpn s LYS 135 CO 0.40 -0.51 0.41 -1.17 -0.92 0.00 0.00 175.35 173.56 3hpn s LEU 136 N 2.16 4.10 -0.00 3.17 2.96 -1.26 -4.42 118.68 125.39 3hpn s LEU 136 Ca 0.15 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 3hpn s LEU 136 Cb -0.16 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3hpn s LEU 136 CO 0.12 -0.14 0.13 0.20 -1.32 0.00 0.00 176.35 175.33 3hpn s ASN 137 N 1.29 5.99 -0.14 3.68 0.01 0.81 -4.93 114.94 121.65 3hpn s ASN 137 Ca 0.18 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.58 3hpn s ASN 137 Cb -0.15 -1.79 0.02 0.00 0.41 0.00 0.00 41.25 39.73 3hpn s ASN 137 CO 0.09 0.26 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.07 3hpn s VAL 138 N -1.26 1.80 -0.05 1.60 1.01 -1.26 -1.71 120.40 120.52 3hpn s VAL 138 Ca 0.25 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3hpn s VAL 138 Cb -0.12 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3hpn s VAL 138 CO 0.17 0.50 -0.07 -1.61 0.00 0.00 0.00 175.10 174.09 3hpn s GLU 139 N 1.14 1.09 -0.04 2.72 0.41 -0.22 -4.99 118.70 118.81 3hpn s GLU 139 Ca -0.01 -0.19 0.04 0.00 -0.41 0.00 0.00 54.97 54.40 3hpn s GLU 139 Cb -0.14 -1.02 -0.03 0.00 -1.78 0.00 0.00 34.13 31.16 3hpn s GLU 139 CO -0.07 -0.06 -0.16 -2.00 -0.49 0.00 0.00 175.26 172.49 3hpn s GLU 140 N 0.88 2.45 0.14 1.61 2.12 -1.26 -0.04 118.70 124.59 3hpn s GLU 140 Ca -0.11 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.50 3hpn s GLU 140 Cb -0.15 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3hpn s GLU 140 CO 0.01 0.61 -0.01 1.03 -0.54 0.00 0.00 175.26 176.36 3hpn s ARG 141 N -0.75 0.97 0.06 4.30 1.81 -0.42 -4.98 118.95 119.94 3hpn s ARG 141 Ca 0.11 -1.44 0.02 0.00 -1.72 0.00 0.00 55.73 52.70 3hpn s ARG 141 Cb -0.11 -0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 3hpn s ARG 141 CO 0.01 -0.12 -0.07 -1.54 -0.68 0.00 0.00 175.30 172.90 3hpn s SER 142 N -3.10 0.89 0.04 0.23 1.04 -1.26 0.56 113.70 112.09 3hpn s SER 142 Ca 0.20 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3hpn s SER 142 Cb 0.06 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3hpn s SER 142 CO 0.00 -0.30 -0.05 -0.69 0.98 0.00 0.00 173.24 173.18 3hpn s VAL 143 N -2.11 0.33 0.00 5.02 1.01 -0.77 -5.00 120.40 118.88 3hpn s VAL 143 Ca -0.03 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3hpn s VAL 143 Cb -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3hpn s VAL 143 CO -0.02 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.19 3hpn n GLY 144 N 1.35 2.42 3.74 4.51 0.00 -1.26 -1.41 105.19 114.54 3hpn n GLY 144 Ca -0.22 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3hpn n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hpn s PRO 145 N -2.02 4.77 0.26 1.61 0.04 -1.26 -5.03 135.00 133.37 3hpn s PRO 145 Ca 0.00 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 3hpn s PRO 145 Cb 0.00 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 3hpn s PRO 145 CO 0.00 0.35 0.83 -0.51 0.04 0.00 0.00 177.00 177.71 3hpn s LEU 146 N -0.53 4.38 0.00 -3.56 1.43 0.89 -4.98 118.68 116.31 3hpn s LEU 146 Ca 0.44 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3hpn s LEU 146 Cb -0.25 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.24 3hpn s LEU 146 CO 0.31 0.01 0.00 0.35 0.23 0.00 0.00 176.35 177.25 3hpn n THR 147 N 0.77 0.00 -2.28 5.49 -2.24 -1.26 -4.65 114.28 110.11 3hpn n THR 147 Ca -0.01 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.43 3hpn n THR 147 Cb 0.50 0.55 0.12 0.00 -2.10 0.00 0.00 70.33 69.40 3hpn n THR 147 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hpn s ARG 148 N -0.57 1.52 0.31 -0.78 1.81 -1.26 -4.99 118.95 115.00 3hpn s ARG 148 Ca 0.00 -0.66 0.03 0.00 -1.72 0.00 0.00 55.73 53.39 3hpn s ARG 148 Cb 0.00 -2.14 0.53 0.00 -0.45 0.00 0.00 34.95 32.89 3hpn s ARG 148 CO 0.00 -1.67 1.82 -0.22 -0.68 0.00 0.00 175.30 174.55 3hpn h LYS 149 N -0.87 0.52 0.00 3.54 3.64 -1.85 -3.42 116.57 118.13 3hpn h LYS 149 Ca -0.41 -0.14 -0.23 0.00 -1.27 0.00 0.00 60.65 58.60 3hpn h LYS 149 Cb 1.27 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 3hpn h LYS 149 CO 0.45 0.61 -0.09 0.41 -2.27 0.00 0.00 179.45 178.56 3hpn n GLY 150 N -0.70 2.02 3.48 5.01 0.00 -0.37 -0.82 105.19 113.81 3hpn n GLY 150 Ca 0.01 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3hpn n GLY 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hpn s PHE 151 N -3.00 -0.48 0.15 1.61 -0.12 0.61 -1.70 117.98 115.04 3hpn s PHE 151 Ca 0.26 0.24 0.09 0.00 -0.05 0.00 0.00 56.93 57.46 3hpn s PHE 151 Cb -0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 3hpn s PHE 151 CO 0.18 -0.89 -0.19 0.71 -0.05 0.00 0.00 175.22 174.98 3hpn s TYR 152 N -3.74 1.83 0.09 3.49 1.51 0.28 -1.05 117.35 119.77 3hpn s TYR 152 Ca 0.03 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 55.71 3hpn s TYR 152 Cb -0.02 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 3hpn s TYR 152 CO -0.10 0.31 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.97 3hpn s LEU 153 N -2.48 2.74 0.04 -1.29 1.02 -1.26 -2.05 118.68 115.40 3hpn s LEU 153 Ca 0.14 -0.49 -0.05 0.00 0.02 0.00 0.00 54.13 53.75 3hpn s LEU 153 Cb -0.07 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.54 3hpn s LEU 153 CO 0.06 0.20 0.08 0.00 0.02 0.00 0.00 176.35 176.71 3hpn s ALA 154 N -1.10 -0.03 -0.11 4.21 0.00 0.68 -1.35 121.76 124.06 3hpn s ALA 154 Ca 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3hpn s ALA 154 Cb -0.11 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3hpn s ALA 154 CO 0.09 -0.31 -0.10 -0.06 0.00 0.00 0.00 175.76 175.38 3hpn s PHE 155 N -2.57 1.68 -0.33 0.00 0.40 0.17 -0.62 117.98 116.72 3hpn s PHE 155 Ca -0.05 -0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 55.31 3hpn s PHE 155 Cb -0.01 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 3hpn s PHE 155 CO -0.04 -0.52 0.23 -1.14 0.70 0.00 0.00 175.22 174.44 3hpn s GLN 156 N 1.46 3.56 -0.12 0.44 0.74 -0.70 -0.50 119.66 124.55 3hpn s GLN 156 Ca 0.02 -0.59 -0.24 0.00 0.05 0.00 0.00 55.36 54.59 3hpn s GLN 156 Cb -0.13 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 3hpn s GLN 156 CO -0.07 -0.40 0.74 0.34 -0.55 0.00 0.00 175.29 175.36 3hpn s ASP 157 N 1.72 6.95 0.00 6.67 3.68 0.22 -1.69 116.67 134.22 3hpn s ASP 157 Ca 0.06 1.15 0.21 0.00 2.13 0.00 0.00 52.55 56.10 3hpn s ASP 157 Cb -0.17 -2.42 0.28 0.00 -1.45 0.00 0.00 42.92 39.15 3hpn s ASP 157 CO 0.10 -0.24 1.24 2.30 0.13 0.00 0.00 175.17 178.71 3hpn n ILE 158 N 4.22 0.27 0.00 4.11 -5.35 -1.26 -1.09 119.36 120.27 3hpn n ILE 158 Ca 0.01 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 3hpn n ILE 158 Cb 0.50 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 3hpn n ILE 158 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hpn n GLY 159 N 1.23 0.99 4.02 3.28 0.00 -1.26 -4.04 105.19 109.40 3hpn n GLY 159 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3hpn n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpn s ALA 160 N -1.40 4.61 -0.50 4.61 0.00 -1.26 -0.49 121.76 127.33 3hpn s ALA 160 Ca 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 51.96 50.04 3hpn s ALA 160 Cb 0.00 -1.52 0.13 0.00 0.00 0.00 0.00 23.12 21.73 3hpn s ALA 160 CO 0.00 -0.55 0.29 0.00 0.00 0.00 0.00 175.76 175.50 3hpn s VAL 162 N 0.58 1.70 -0.30 0.00 1.01 -0.58 -0.37 120.40 122.45 3hpn s VAL 162 Ca 0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3hpn s VAL 162 Cb -0.22 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.75 3hpn s VAL 162 CO -0.04 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.55 3hpn s ALA 163 N -0.03 2.84 -0.48 5.51 0.00 -0.15 -2.16 121.76 127.30 3hpn s ALA 163 Ca -0.04 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 3hpn s ALA 163 Cb -0.13 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.07 3hpn s ALA 163 CO 0.03 -1.20 0.83 -1.17 0.00 0.00 0.00 175.76 174.25 3hpn s LEU 164 N 1.30 4.23 0.01 0.00 2.96 0.99 -1.19 118.68 126.99 3hpn s LEU 164 Ca -0.04 -0.20 0.22 0.00 -0.22 0.00 0.00 54.13 53.89 3hpn s LEU 164 Cb -0.19 -2.92 -0.23 0.00 0.50 0.00 0.00 46.19 43.35 3hpn s LEU 164 CO -0.01 -1.01 0.69 0.18 -1.32 0.00 0.00 176.35 174.88 3hpn n LEU 165 N 6.92 0.34 -3.68 -0.68 7.99 0.17 -0.84 117.00 127.22 3hpn n LEU 165 Ca 0.02 -0.03 -0.14 0.00 -0.01 0.00 0.00 56.01 55.85 3hpn n LEU 165 Cb 0.48 -0.02 -0.09 0.00 -0.11 0.00 0.00 43.42 43.68 3hpn n LEU 165 CO 0.60 0.02 0.23 -0.55 -1.51 0.00 0.00 177.39 176.18 3hpn s SER 166 N -4.32 -0.56 -0.18 -1.43 0.15 -0.73 -4.66 113.70 101.97 3hpn s SER 166 Ca -0.03 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.62 3hpn s SER 166 Cb 0.14 1.07 0.08 0.00 -1.71 0.00 0.00 66.02 65.59 3hpn s SER 166 CO 0.87 -0.21 0.15 -0.69 1.20 0.00 0.00 173.24 174.56 3hpn s VAL 167 N 0.18 -0.21 -0.09 4.45 1.01 -1.26 -1.35 120.40 123.13 3hpn s VAL 167 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3hpn s VAL 167 Cb -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.74 3hpn s VAL 167 CO 0.01 -0.23 -0.16 -0.60 0.00 0.00 0.00 175.10 174.11 3hpn s ARG 168 N 2.23 2.27 -0.12 2.72 3.52 0.05 -0.88 118.95 128.75 3hpn s ARG 168 Ca 0.04 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3hpn s ARG 168 Cb -0.16 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.39 3hpn s ARG 168 CO -0.10 0.02 -0.19 0.08 -0.81 0.00 0.00 175.30 174.30 3hpn s VAL 169 N 0.75 1.78 0.19 7.11 1.01 0.40 0.33 120.40 131.97 3hpn s VAL 169 Ca -0.12 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 3hpn s VAL 169 Cb -0.16 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3hpn s VAL 169 CO 0.02 0.50 0.38 -0.72 0.00 0.00 0.00 175.10 175.28 3hpn s TYR 170 N 0.88 0.30 0.23 5.22 -0.85 0.28 0.11 117.35 123.53 3hpn s TYR 170 Ca -0.07 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 55.85 3hpn s TYR 170 Cb -0.15 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 3hpn s TYR 170 CO -0.01 -0.83 0.01 1.52 -1.52 0.00 0.00 175.55 174.73 3hpn s TYR 171 N -3.97 1.51 -0.23 -3.49 -0.85 -0.77 0.14 117.35 109.70 3hpn s TYR 171 Ca 0.17 -0.98 -0.13 0.00 -0.52 0.00 0.00 57.07 55.61 3hpn s TYR 171 Cb 0.02 -0.88 -0.04 0.00 0.38 0.00 0.00 41.96 41.43 3hpn s TYR 171 CO 0.02 -0.11 0.28 0.15 -1.52 0.00 0.00 175.55 174.37 3hpn s LYS 172 N -3.90 4.10 -0.11 -3.49 1.02 -1.26 -1.50 119.74 114.60 3hpn s LYS 172 Ca 0.29 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.24 3hpn s LYS 172 Cb 0.06 -3.56 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3hpn s LYS 172 CO 0.09 -0.03 -0.11 0.21 -0.92 0.00 0.00 175.35 174.59 3hpn s LYS 173 N 1.30 1.80 0.00 1.68 2.20 -1.26 -5.01 119.74 120.45 3hpn s LYS 173 Ca 0.13 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 3hpn s LYS 173 Cb -0.14 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 3hpn s LYS 173 CO 0.07 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 174.88