#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkm n ALA 6 N 0.00 1.08 -1.05 7.54 0.00 -1.26 0.16 120.51 126.98 3hkm n ALA 6 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hkm n ALA 6 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.52 3hkm n ALA 6 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hkm n ASP 7 N -1.33 0.73 -0.72 0.00 3.85 -1.26 -5.00 116.55 112.82 3hkm n ASP 7 Ca 0.00 -1.74 -0.09 0.00 -0.71 0.00 0.00 54.79 52.25 3hkm n ASP 7 Cb 0.02 -0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 39.64 3hkm n ASP 7 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hkm n GLY 8 N -0.29 1.08 3.80 6.12 0.00 0.12 -5.00 105.19 111.01 3hkm n GLY 8 Ca 0.02 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3hkm n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkm s ARG 9 N -2.65 3.33 0.69 1.61 0.52 -1.26 -4.62 118.95 116.58 3hkm s ARG 9 Ca 0.00 1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 3hkm s ARG 9 Cb 0.00 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.45 3hkm s ARG 9 CO 0.00 -0.81 1.08 -0.80 0.02 0.00 0.00 175.30 174.79 3hkm s ASN 10 N -2.60 5.49 0.20 0.23 0.02 -1.26 -2.25 114.94 114.76 3hkm s ASN 10 Ca 0.65 1.11 -0.20 0.00 -1.02 0.00 0.00 52.86 53.40 3hkm s ASN 10 Cb -0.17 -1.93 0.15 0.00 0.02 0.00 0.00 41.25 39.31 3hkm s ASN 10 CO 0.34 -1.30 1.58 -0.65 0.02 0.00 0.00 177.10 177.09 3hkm h PRO 11 N -0.61 -0.12 -0.70 -0.60 0.11 -1.98 -2.99 132.00 125.12 3hkm h PRO 11 Ca -0.45 0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.26 3hkm h PRO 11 Cb 1.25 0.03 -0.24 0.00 0.11 0.00 0.00 31.00 32.15 3hkm h PRO 11 CO 0.64 -0.08 0.23 0.27 -0.21 0.00 0.00 178.00 178.84 3hkm n ASN 12 N -5.44 4.05 -4.45 -2.05 2.04 -1.26 -0.90 115.26 107.24 3hkm n ASN 12 Ca 0.05 -3.74 -0.33 0.00 -0.44 0.00 0.00 54.58 50.12 3hkm n ASN 12 Cb 0.37 -0.73 -0.13 0.00 -2.53 0.00 0.00 39.78 36.76 3hkm n ASN 12 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hkm s GLN 13 N -3.41 3.27 0.65 -3.83 -2.07 -1.13 -4.88 119.66 108.26 3hkm s GLN 13 Ca 0.53 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 53.34 3hkm s GLN 13 Cb 0.45 -2.67 -0.02 0.00 -1.09 0.00 0.00 33.01 29.68 3hkm s GLN 13 CO 0.03 0.34 1.04 -0.51 -1.32 0.00 0.00 175.29 174.87 3hkm s LEU 14 N 0.05 3.19 0.69 2.60 1.02 -1.26 -4.76 118.68 120.20 3hkm s LEU 14 Ca -0.03 1.51 -0.14 0.00 0.02 0.00 0.00 54.13 55.49 3hkm s LEU 14 Cb -0.14 -4.48 0.01 0.00 0.02 0.00 0.00 46.19 41.60 3hkm s LEU 14 CO 0.04 -1.13 1.11 -0.13 0.02 0.00 0.00 176.35 176.26 3hkm s ARG 15 N -5.11 2.66 0.26 1.70 3.00 -1.26 -4.93 118.95 115.27 3hkm s ARG 15 Ca 0.56 1.35 -0.31 0.00 0.00 0.00 0.00 55.73 57.34 3hkm s ARG 15 Cb -0.12 -1.94 -0.12 0.00 0.00 0.00 0.00 34.95 32.77 3hkm s ARG 15 CO 0.54 -1.35 1.65 -2.30 0.00 0.00 0.00 175.30 173.84 3hkm n PRO 16 N -2.66 2.76 -4.34 3.54 -0.02 -1.26 -4.70 135.00 128.32 3hkm n PRO 16 Ca 0.10 0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 62.33 3hkm n PRO 16 Cb 0.52 -2.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.12 3hkm n PRO 16 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3hkm s PHE 17 N 0.43 2.58 -0.08 6.00 -0.71 -1.26 -2.79 117.98 122.15 3hkm s PHE 17 Ca 0.68 -0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 56.24 3hkm s PHE 17 Cb -0.49 -1.17 0.02 0.00 -1.21 0.00 0.00 43.02 40.17 3hkm s PHE 17 CO 0.42 0.62 0.22 0.45 -1.34 0.00 0.00 175.22 175.59 3hkm s SER 18 N -3.42 -0.23 -0.11 1.98 0.15 0.20 -4.98 113.70 107.29 3hkm s SER 18 Ca 0.29 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 57.34 3hkm s SER 18 Cb -0.07 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 3hkm s SER 18 CO 0.17 -0.08 0.22 0.00 1.20 0.00 0.00 173.24 174.75 3hkm s THR 20 N 2.20 4.88 -0.13 0.00 2.01 -0.30 -4.94 115.64 119.36 3hkm s THR 20 Ca 0.00 1.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 3hkm s THR 20 Cb -0.12 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 3hkm s THR 20 CO -0.07 -0.11 0.88 -0.60 -0.69 0.00 0.00 174.62 174.03 3hkm s ARG 21 N 2.74 4.36 -1.28 4.92 3.52 -1.26 -1.92 118.95 130.03 3hkm s ARG 21 Ca 0.30 1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 57.00 3hkm s ARG 21 Cb -0.15 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3hkm s ARG 21 CO 0.10 -0.27 0.97 0.09 -0.81 0.00 0.00 175.30 175.38 3hkm n ASN 22 N 4.94 -2.84 0.28 -2.12 5.03 0.14 -4.91 115.26 115.80 3hkm n ASN 22 Ca 0.05 -0.66 0.17 0.00 0.87 0.00 0.00 54.58 55.01 3hkm n ASN 22 Cb 0.49 -4.78 0.82 0.00 -1.02 0.00 0.00 39.78 35.29 3hkm n ASN 22 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3hkm h PRO 23 N -2.06 0.00 -6.16 3.52 0.13 -1.76 -3.43 132.00 122.24 3hkm h PRO 23 Ca -0.59 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 63.96 3hkm h PRO 23 Cb 1.35 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.43 3hkm h PRO 23 CO 0.54 0.06 -0.06 -0.51 -0.23 0.00 0.00 178.00 177.80 3hkm s LEU 24 N -6.58 4.49 0.12 1.56 1.43 -1.26 -4.99 118.68 113.45 3hkm s LEU 24 Ca -0.02 1.19 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 3hkm s LEU 24 Cb 0.11 -2.86 -0.17 0.00 0.03 0.00 0.00 46.19 43.31 3hkm s LEU 24 CO 0.53 0.24 1.23 -0.78 0.23 0.00 0.00 176.35 177.80 3hkm h ASP 25 N 4.85 0.00 -0.14 2.29 1.82 -2.02 -3.34 116.42 119.88 3hkm h ASP 25 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3hkm h ASP 25 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 3hkm h ASP 25 CO 0.65 0.92 0.00 0.54 -1.61 0.00 0.00 179.24 179.74 3hkm n ARG 26 N -3.29 1.65 -3.70 0.28 3.00 -1.26 -4.96 116.66 108.38 3hkm n ARG 26 Ca -0.02 -1.68 -0.37 0.00 -0.01 0.00 0.00 57.85 55.77 3hkm n ARG 26 Cb 0.92 -1.33 -0.06 0.00 0.00 0.00 0.00 32.46 31.98 3hkm n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkm s ALA 27 N -1.28 3.76 0.44 7.54 0.00 -1.25 -4.97 121.76 126.00 3hkm s ALA 27 Ca 0.23 -0.49 0.14 0.00 0.00 0.00 0.00 51.96 51.84 3hkm s ALA 27 Cb 0.15 -2.18 1.04 0.00 0.00 0.00 0.00 23.12 22.13 3hkm s ALA 27 CO 0.21 0.46 2.00 0.45 0.00 0.00 0.00 175.76 178.88 3hkm h HIS 28 N 5.30 0.39 -2.63 0.00 3.86 -1.36 -3.43 115.15 117.29 3hkm h HIS 28 Ca -0.51 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 58.65 3hkm h HIS 28 Cb 1.21 -0.13 -0.17 0.00 1.06 0.00 0.00 27.41 29.39 3hkm h HIS 28 CO 0.71 0.20 0.08 0.20 0.86 0.00 0.00 177.93 179.97 3hkm s GLY 29 N -3.81 -0.47 0.09 2.45 0.00 -0.95 -4.18 107.32 100.46 3hkm s GLY 29 Ca -0.07 0.74 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 3hkm s GLY 29 CO 0.74 0.43 0.77 -1.35 0.00 0.00 0.00 173.10 173.69 3hkm s SER 30 N -1.85 -0.42 -0.17 1.64 1.04 -1.26 0.25 113.70 112.93 3hkm s SER 30 Ca -0.06 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.23 3hkm s SER 30 Cb -0.01 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.69 3hkm s SER 30 CO 0.00 -0.83 0.37 0.00 0.98 0.00 0.00 173.24 173.77 3hkm s ALA 31 N -3.44 -0.97 -0.57 5.32 0.00 0.02 0.29 121.76 122.41 3hkm s ALA 31 Ca 0.04 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 3hkm s ALA 31 Cb -0.01 -1.15 0.06 0.00 0.00 0.00 0.00 23.12 22.02 3hkm s ALA 31 CO -0.09 -0.62 0.80 0.50 0.00 0.00 0.00 175.76 176.36 3hkm s ARG 32 N 2.29 3.16 -0.18 0.00 3.52 -0.81 -0.95 118.95 125.98 3hkm s ARG 32 Ca -0.03 -0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 54.73 3hkm s ARG 32 Cb -0.11 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.10 3hkm s ARG 32 CO -0.12 -1.49 -0.01 -0.46 -0.81 0.00 0.00 175.30 172.41 3hkm s TRP 33 N 3.32 3.04 -0.04 5.12 -0.11 -0.30 -1.15 118.94 128.81 3hkm s TRP 33 Ca 0.20 -0.40 0.05 0.00 1.22 0.00 0.00 56.10 57.17 3hkm s TRP 33 Cb -0.18 -2.04 -0.01 0.00 -1.50 0.00 0.00 33.47 29.75 3hkm s TRP 33 CO 0.12 -0.16 -0.18 0.00 -4.62 0.00 0.00 176.95 172.11 3hkm s ALA 34 N 0.75 1.58 -0.47 5.86 0.00 0.72 -1.55 121.76 128.65 3hkm s ALA 34 Ca -0.00 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3hkm s ALA 34 Cb -0.14 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.60 3hkm s ALA 34 CO 0.02 0.30 0.23 -0.65 0.00 0.00 0.00 175.76 175.66 3hkm s GLN 35 N -0.04 1.67 7.46 0.00 -0.21 -0.09 -0.63 119.66 127.81 3hkm s GLN 35 Ca -0.02 -2.31 0.00 0.00 0.02 0.00 0.00 55.36 53.05 3hkm s GLN 35 Cb -0.11 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 30.94 3hkm s GLN 35 CO 0.02 -1.11 0.00 0.41 -2.12 0.00 0.00 175.29 172.49 3hkm n GLY 36 N 3.41 2.73 0.95 3.09 0.00 -1.12 -2.97 105.19 111.28 3hkm n GLY 36 Ca 0.06 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3hkm n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkm n ASP 37 N 5.97 2.81 -4.58 1.61 10.43 -1.26 -4.69 116.55 126.83 3hkm n ASP 37 Ca 0.00 -1.92 -0.41 0.00 2.57 0.00 0.00 54.79 55.02 3hkm n ASP 37 Cb 0.00 -0.26 -0.07 0.00 1.84 0.00 0.00 41.12 42.64 3hkm n ASP 37 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3hkm s THR 38 N -1.48 4.92 -0.01 -3.53 2.01 -1.16 -3.73 115.64 112.66 3hkm s THR 38 Ca 0.36 0.68 0.04 0.00 0.31 0.00 0.00 61.69 63.08 3hkm s THR 38 Cb 0.20 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3hkm s THR 38 CO 0.28 -0.23 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.36 3hkm s ILE 39 N 2.63 0.89 -0.01 1.82 1.10 0.10 -0.92 121.20 126.83 3hkm s ILE 39 Ca 0.24 -0.52 -0.04 0.00 -0.51 0.00 0.00 60.65 59.82 3hkm s ILE 39 Cb -0.15 -0.75 -0.00 0.00 0.15 0.00 0.00 42.46 41.71 3hkm s ILE 39 CO 0.13 0.23 0.09 0.54 -2.11 0.00 0.00 174.94 173.82 3hkm s VAL 40 N -0.31 0.06 -0.23 4.00 0.11 -0.59 -0.18 120.40 123.25 3hkm s VAL 40 Ca 0.04 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.60 3hkm s VAL 40 Cb -0.05 -0.29 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 3hkm s VAL 40 CO -0.00 -0.27 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.18 3hkm s LEU 41 N -0.87 2.96 -0.16 2.54 2.96 0.95 -1.15 118.68 125.90 3hkm s LEU 41 Ca -0.10 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.85 3hkm s LEU 41 Cb -0.06 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3hkm s LEU 41 CO 0.00 -0.10 0.09 0.00 -1.32 0.00 0.00 176.35 175.02 3hkm s ALA 42 N 1.28 3.57 -0.07 5.97 0.00 -0.12 -0.67 121.76 131.71 3hkm s ALA 42 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3hkm s ALA 42 Cb -0.16 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.04 3hkm s ALA 42 CO -0.07 0.33 -0.14 0.00 0.00 0.00 0.00 175.76 175.89 3hkm s ALA 43 N -0.12 1.38 -0.21 0.00 0.00 -0.09 -0.80 121.76 121.93 3hkm s ALA 43 Ca 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 3hkm s ALA 43 Cb -0.12 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 3hkm s ALA 43 CO 0.01 0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.90 3hkm s VAL 44 N 0.63 3.11 -0.47 0.00 1.01 0.14 -0.86 120.40 123.96 3hkm s VAL 44 Ca -0.15 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3hkm s VAL 44 Cb -0.16 -2.39 0.10 0.00 0.00 0.00 0.00 36.38 33.93 3hkm s VAL 44 CO 0.04 0.45 0.35 -0.31 0.00 0.00 0.00 175.10 175.63 3hkm s TYR 45 N 1.39 3.34 0.71 5.22 2.02 -0.04 -0.86 117.35 129.13 3hkm s TYR 45 Ca 0.05 -1.51 -0.13 0.00 -0.37 0.00 0.00 57.07 55.11 3hkm s TYR 45 Cb -0.14 -3.32 -0.09 0.00 -0.40 0.00 0.00 41.96 38.01 3hkm s TYR 45 CO -0.05 -0.92 -0.70 0.41 -1.57 0.00 0.00 175.55 172.72 3hkm n GLY 46 N 5.01 -1.88 3.56 0.71 0.00 -1.26 -2.33 105.19 109.00 3hkm n GLY 46 Ca -0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3hkm n GLY 46 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hkm s PRO 47 N -1.96 2.12 0.21 1.61 0.02 -1.26 -4.41 135.00 131.34 3hkm s PRO 47 Ca 0.16 0.37 -0.30 0.00 0.02 0.00 0.00 61.00 61.26 3hkm s PRO 47 Cb 0.05 -4.80 -0.08 0.00 0.02 0.00 0.00 34.50 29.69 3hkm s PRO 47 CO 0.30 -3.70 1.01 -1.59 -0.33 0.00 0.00 177.00 172.69 3hkm s LYS 48 N 7.93 4.73 0.22 5.54 -2.85 0.10 -4.74 119.74 130.66 3hkm s LYS 48 Ca 0.82 1.60 -0.32 0.00 -1.00 0.00 0.00 55.97 57.08 3hkm s LYS 48 Cb -0.11 -3.28 -0.12 0.00 -2.06 0.00 0.00 37.83 32.26 3hkm s LYS 48 CO 0.09 0.30 1.69 -2.14 0.10 0.00 0.00 175.35 175.39 3hkm s PRO 49 N -0.85 4.13 0.00 1.78 0.02 -1.26 0.20 135.00 139.02 3hkm s PRO 49 Ca 0.45 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.04 3hkm s PRO 49 Cb -0.28 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3hkm s PRO 49 CO 0.34 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 3hkm n GLY 50 N 3.69 3.19 3.74 0.52 0.00 0.65 -4.78 105.19 112.19 3hkm n GLY 50 Ca 0.15 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 3hkm n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hkm s THR 51 N -2.65 2.01 0.30 2.61 -1.32 -1.26 -2.10 115.64 113.23 3hkm s THR 51 Ca 0.00 -1.77 0.01 0.00 -1.21 0.00 0.00 61.69 58.72 3hkm s THR 51 Cb 0.00 -2.78 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 3hkm s THR 51 CO 0.00 0.00 0.48 -0.13 -2.21 0.00 0.00 174.62 172.76 3hkm s ARG 52 N -3.91 3.49 -0.27 7.08 1.81 -1.26 -5.00 118.95 120.88 3hkm s ARG 52 Ca 0.34 -0.42 -0.29 0.00 -1.72 0.00 0.00 55.73 53.65 3hkm s ARG 52 Cb 0.04 -2.74 -0.06 0.00 -0.45 0.00 0.00 34.95 31.73 3hkm s ARG 52 CO 0.19 0.26 2.25 1.17 -0.68 0.00 0.00 175.30 178.48 3hkm n LYS 53 N -1.48 1.71 0.00 3.54 3.00 -1.26 -1.36 118.16 122.31 3hkm n LYS 53 Ca -0.06 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 3hkm n LYS 53 Cb 0.56 -3.13 0.00 0.00 0.00 0.00 0.00 35.03 32.46 3hkm n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hkm n GLY 54 N 5.93 1.14 3.85 3.14 0.00 -1.26 -5.11 105.19 112.88 3hkm n GLY 54 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 3hkm n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkm s GLU 55 N -0.24 3.02 -0.18 1.61 0.41 -0.46 -5.08 118.70 117.77 3hkm s GLU 55 Ca 0.00 -1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 53.27 3hkm s GLU 55 Cb 0.00 -2.62 -0.01 0.00 -1.78 0.00 0.00 34.13 29.72 3hkm s GLU 55 CO 0.00 0.41 1.21 1.21 -0.49 0.00 0.00 175.26 177.60 3hkm s ASN 56 N -3.84 6.98 0.00 -0.19 3.04 -1.26 -4.77 114.94 114.89 3hkm s ASN 56 Ca 0.33 1.61 0.22 0.00 0.04 0.00 0.00 52.86 55.07 3hkm s ASN 56 Cb -0.08 -2.54 1.33 0.00 -1.54 0.00 0.00 41.25 38.42 3hkm s ASN 56 CO 0.26 -0.74 1.84 -2.65 -3.04 0.00 0.00 177.10 172.77 3hkm n PRO 57 N 6.55 0.97 0.00 0.43 -0.02 -1.26 -3.64 135.00 138.03 3hkm n PRO 57 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 3hkm n PRO 57 Cb 0.45 -1.36 0.56 0.00 -0.02 0.00 0.00 33.50 33.13 3hkm n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hkm n GLU 58 N -0.86 0.92 -4.18 -0.52 4.07 -1.26 -1.95 120.64 116.86 3hkm n GLU 58 Ca 0.17 -0.41 -0.16 0.00 -0.06 0.00 0.00 57.16 56.70 3hkm n GLU 58 Cb 0.08 -1.49 -0.07 0.00 -0.06 0.00 0.00 31.44 29.89 3hkm n GLU 58 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 3hkm s LYS 59 N -2.36 1.67 0.31 5.31 -2.85 -1.24 -4.78 119.74 115.79 3hkm s LYS 59 Ca 0.31 -1.80 -0.18 0.00 -1.00 0.00 0.00 55.97 53.30 3hkm s LYS 59 Cb 0.20 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 36.24 3hkm s LYS 59 CO 0.45 -0.64 0.78 0.00 0.10 0.00 0.00 175.35 176.05 3hkm s ALA 60 N -3.52 3.30 -0.04 0.59 0.00 0.82 -1.70 121.76 121.20 3hkm s ALA 60 Ca 0.36 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3hkm s ALA 60 Cb 0.02 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 3hkm s ALA 60 CO 0.21 0.29 -0.03 -1.12 0.00 0.00 0.00 175.76 175.11 3hkm s SER 61 N -2.00 4.96 -0.13 0.00 0.01 0.13 -4.88 113.70 111.79 3hkm s SER 61 Ca 0.51 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.79 3hkm s SER 61 Cb -0.13 -1.29 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 3hkm s SER 61 CO 0.18 0.33 -0.16 -0.63 0.41 0.00 0.00 173.24 173.37 3hkm s ILE 62 N -0.95 2.72 0.16 1.44 1.01 -1.26 -0.42 121.20 123.90 3hkm s ILE 62 Ca 0.16 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.10 3hkm s ILE 62 Cb -0.11 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3hkm s ILE 62 CO 0.06 0.53 0.02 -1.61 0.00 0.00 0.00 174.94 173.93 3hkm s GLU 63 N 0.46 2.50 -0.02 2.79 2.02 0.53 -4.96 118.70 122.01 3hkm s GLU 63 Ca -0.12 -1.02 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 3hkm s GLU 63 Cb -0.16 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.66 3hkm s GLU 63 CO 0.05 0.48 0.05 0.08 0.02 0.00 0.00 175.26 175.93 3hkm s VAL 64 N -1.65 -0.04 -0.04 2.63 1.01 -1.26 -0.50 120.40 120.56 3hkm s VAL 64 Ca 0.27 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3hkm s VAL 64 Cb -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 3hkm s VAL 64 CO 0.19 0.06 -0.16 0.68 0.00 0.00 0.00 175.10 175.87 3hkm s VAL 65 N 0.72 1.31 -0.28 2.92 -7.23 -0.50 -4.97 120.40 112.37 3hkm s VAL 65 Ca -0.06 -0.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.36 3hkm s VAL 65 Cb -0.08 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3hkm s VAL 65 CO -0.02 0.38 0.13 0.86 -0.31 0.00 0.00 175.10 176.14 3hkm s TRP 66 N 0.04 3.16 -0.31 2.82 -0.11 -1.26 -1.11 118.94 122.16 3hkm s TRP 66 Ca -0.03 -0.26 -0.09 0.00 1.22 0.00 0.00 56.10 56.94 3hkm s TRP 66 Cb -0.11 -2.32 -0.00 0.00 -1.50 0.00 0.00 33.47 29.54 3hkm s TRP 66 CO 0.02 -0.31 0.14 0.15 -4.62 0.00 0.00 176.95 172.33 3hkm s LYS 67 N 1.67 3.29 1.03 5.86 1.02 0.14 -4.88 119.74 127.86 3hkm s LYS 67 Ca 0.06 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 3hkm s LYS 67 Cb -0.16 -3.54 0.20 0.00 -0.52 0.00 0.00 37.83 33.81 3hkm s LYS 67 CO 0.07 -0.43 1.08 -1.25 -0.92 0.00 0.00 175.35 173.90 3hkm s PRO 68 N 1.60 0.20 0.11 -1.68 0.04 -1.26 -0.30 135.00 133.71 3hkm s PRO 68 Ca 0.04 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 3hkm s PRO 68 Cb -0.17 -1.70 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3hkm s PRO 68 CO 0.06 -2.93 1.67 0.52 0.04 0.00 0.00 177.00 176.36 3hkm h MET 69 N -2.04 -0.28 -4.60 4.56 2.86 -1.94 -3.41 114.93 110.07 3hkm h MET 69 Ca -0.55 0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 56.84 3hkm h MET 69 Cb 1.32 0.06 -0.19 0.00 0.06 0.00 0.00 31.60 32.85 3hkm h MET 69 CO 0.54 -0.18 -0.72 0.95 1.06 0.00 0.00 176.91 178.56 3hkm s THR 70 N -6.13 0.59 0.00 2.22 -4.23 -1.26 -5.02 115.64 101.81 3hkm s THR 70 Ca -0.15 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3hkm s THR 70 Cb 0.08 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 73.01 3hkm s THR 70 CO 0.66 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 3hkm n GLY 71 N 1.05 -0.15 3.94 3.99 0.00 -1.26 -4.85 105.19 107.92 3hkm n GLY 71 Ca -0.20 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 3hkm n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkm s GLN 72 N 0.00 3.45 0.57 1.61 0.00 -1.26 -4.85 119.66 119.18 3hkm s GLN 72 Ca 0.00 -0.54 -0.19 0.00 -0.00 0.00 0.00 55.36 54.63 3hkm s GLN 72 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 33.01 29.99 3hkm s GLN 72 CO 0.00 0.53 1.17 -1.50 0.00 0.00 0.00 175.29 175.50 3hkm s ILE 73 N -1.70 2.86 0.50 3.63 2.07 -1.26 -4.93 121.20 122.37 3hkm s ILE 73 Ca 0.35 0.54 -0.06 0.00 -1.41 0.00 0.00 60.65 60.07 3hkm s ILE 73 Cb -0.11 -3.22 0.11 0.00 0.13 0.00 0.00 42.46 39.37 3hkm s ILE 73 CO 0.28 -0.11 0.68 0.61 -1.91 0.00 0.00 174.94 174.49 3hkm n GLY 74 N 0.36 -0.61 0.02 1.50 0.00 -1.26 -4.92 105.19 100.28 3hkm n GLY 74 Ca 0.13 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.45 3hkm n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkm n LYS 75 N -2.39 0.30 0.11 1.61 3.00 -1.26 -1.91 118.16 117.63 3hkm n LYS 75 Ca 0.09 -0.05 -0.24 0.00 -0.00 0.00 0.00 58.31 58.12 3hkm n LYS 75 Cb 0.33 -1.56 -0.15 0.00 0.00 0.00 0.00 35.03 33.65 3hkm n LYS 75 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 3hkm h GLN 76 N 0.00 0.47 0.00 1.64 5.75 -1.99 -3.00 115.11 117.97 3hkm h GLN 76 Ca 0.00 -0.80 -0.09 0.00 -0.15 0.00 0.00 58.65 57.62 3hkm h GLN 76 Cb 0.74 0.30 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 3hkm h GLN 76 CO 0.00 1.38 -0.40 0.93 -2.65 0.00 0.00 178.83 178.09 3hkm h GLU 77 N 0.02 0.00 0.00 1.69 5.08 -1.96 -1.08 114.58 118.33 3hkm h GLU 77 Ca -0.25 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 3hkm h GLU 77 Cb 2.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 3hkm h GLU 77 CO 0.23 0.40 -0.57 -0.22 -1.00 0.00 0.00 179.01 177.85 3hkm h LYS 78 N 0.00 0.00 0.05 2.33 3.11 -1.52 -1.12 116.57 119.42 3hkm h LYS 78 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3hkm h LYS 78 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 3hkm h LYS 78 CO 0.05 0.57 -0.02 0.93 -2.81 0.00 0.00 179.45 178.17 3hkm h GLU 79 N 0.00 -0.06 -1.00 1.90 5.08 -1.33 -2.87 114.58 116.30 3hkm h GLU 79 Ca -0.01 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 3hkm h GLU 79 Cb 1.14 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 3hkm h GLU 79 CO 0.07 0.32 0.61 1.88 -1.00 0.00 0.00 179.01 180.89 3hkm h TYR 80 N -0.46 1.03 -0.48 4.33 0.05 -1.11 -1.11 116.97 119.22 3hkm h TYR 80 Ca -0.01 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 3hkm h TYR 80 Cb 0.41 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3hkm h TYR 80 CO 0.06 0.16 -0.16 1.49 -1.05 0.00 0.00 178.16 178.65 3hkm h GLU 81 N 0.67 0.92 0.00 4.88 4.81 -1.14 0.17 114.58 124.89 3hkm h GLU 81 Ca 0.61 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3hkm h GLU 81 Cb 1.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3hkm h GLU 81 CO -0.42 1.01 -0.36 0.52 -0.73 0.00 0.00 179.01 179.04 3hkm h MET 82 N 0.81 0.00 -0.08 1.92 2.86 -1.15 -0.68 114.93 118.60 3hkm h MET 82 Ca 0.12 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.59 3hkm h MET 82 Cb 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3hkm h MET 82 CO 0.05 0.29 -0.69 1.15 1.06 0.00 0.00 176.91 178.77 3hkm h THR 83 N 0.00 1.38 -0.19 2.22 2.02 -1.00 -3.00 112.91 114.34 3hkm h THR 83 Ca -0.01 -2.09 -0.13 0.00 0.77 0.00 0.00 66.41 64.95 3hkm h THR 83 Cb 1.23 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3hkm h THR 83 CO 0.04 0.63 -0.38 0.25 0.37 0.00 0.00 175.52 176.42 3hkm h LEU 84 N 0.26 0.66 0.31 2.58 5.85 -0.41 -2.21 115.31 122.35 3hkm h LEU 84 Ca -0.02 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3hkm h LEU 84 Cb 1.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3hkm h LEU 84 CO 0.12 1.09 -0.46 0.11 -0.34 0.00 0.00 178.44 178.96 3hkm h LYS 85 N 0.26 -0.80 -0.14 1.25 1.57 -1.19 -0.65 116.57 116.88 3hkm h LYS 85 Ca 0.00 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3hkm h LYS 85 Cb 0.99 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 3hkm h LYS 85 CO 0.09 -0.53 -0.14 0.00 -0.57 0.00 0.00 179.45 178.30 3hkm h ARG 86 N -0.83 -0.16 -0.67 3.15 3.08 -1.59 0.40 114.38 117.77 3hkm h ARG 86 Ca -0.02 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.14 3hkm h ARG 86 Cb 0.77 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.78 3hkm h ARG 86 CO -0.15 -0.10 0.28 1.15 -1.07 0.00 0.00 179.97 180.07 3hkm h THR 87 N -0.16 0.77 -0.00 2.04 2.02 -1.27 0.24 112.91 116.54 3hkm h THR 87 Ca 0.10 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 3hkm h THR 87 Cb 0.30 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3hkm h THR 87 CO -0.24 0.09 -0.77 -0.07 0.37 0.00 0.00 175.52 174.90 3hkm h LEU 88 N 0.48 0.00 -1.01 2.58 3.38 -0.46 -2.14 115.31 118.14 3hkm h LEU 88 Ca 0.34 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3hkm h LEU 88 Cb 0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hkm h LEU 88 CO -0.31 0.77 -0.47 1.56 0.09 0.00 0.00 178.44 180.08 3hkm h GLN 89 N 0.00 0.00 0.03 1.13 4.20 0.68 -2.63 115.11 118.52 3hkm h GLN 89 Ca -0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 3hkm h GLN 89 Cb 1.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 3hkm h GLN 89 CO 0.10 0.47 -0.99 0.77 -0.67 0.00 0.00 178.83 178.51 3hkm h SER 90 N 0.00 0.22 0.85 1.46 0.02 -0.26 -3.28 113.55 112.56 3hkm h SER 90 Ca -0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3hkm h SER 90 Cb 0.88 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3hkm h SER 90 CO 0.06 1.08 -0.61 2.30 -1.14 0.00 0.00 176.83 178.53 3hkm n ILE 91 N -3.55 0.33 -3.13 3.27 -5.35 -0.83 -4.85 119.36 105.24 3hkm n ILE 91 Ca -0.04 -0.25 -0.39 0.00 -0.27 0.00 0.00 62.75 61.80 3hkm n ILE 91 Cb 0.89 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.62 3hkm n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hkm s LEU 93 N -0.59 3.74 0.00 0.00 2.96 -0.44 -4.68 118.68 119.66 3hkm s LEU 93 Ca 0.33 -0.52 0.13 0.00 -0.22 0.00 0.00 54.13 53.85 3hkm s LEU 93 Cb -0.20 -2.64 0.38 0.00 0.50 0.00 0.00 46.19 44.23 3hkm s LEU 93 CO 0.21 -1.56 1.32 0.18 -1.32 0.00 0.00 176.35 175.17 3hkm n LEU 94 N 8.41 2.26 0.01 -0.68 4.77 -1.26 -3.77 117.00 126.74 3hkm n LEU 94 Ca 0.01 -1.13 0.11 0.00 -0.03 0.00 0.00 56.01 54.97 3hkm n LEU 94 Cb 0.48 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 3hkm n LEU 94 CO 0.68 0.56 -0.21 0.35 -1.33 0.00 0.00 177.39 177.44 3hkm n THR 95 N 0.74 0.05 0.09 -5.08 -2.24 -1.26 -0.13 114.28 106.45 3hkm n THR 95 Ca 0.14 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3hkm n THR 95 Cb 0.36 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 68.97 3hkm n THR 95 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hkm h VAL 96 N 0.00 1.40 -2.21 2.28 2.07 -1.97 -3.39 116.25 114.43 3hkm h VAL 96 Ca 0.00 -2.64 -0.58 0.00 0.82 0.00 0.00 66.70 64.30 3hkm h VAL 96 Cb 0.70 2.65 -0.40 0.00 -1.52 0.00 0.00 31.29 32.72 3hkm h VAL 96 CO 0.00 0.78 -0.88 1.41 0.02 0.00 0.00 177.57 178.90 3hkm n HIS 97 N -3.69 1.12 -1.23 1.57 8.25 -1.26 -5.09 115.22 114.89 3hkm n HIS 97 Ca -0.09 -3.78 -0.34 0.00 -0.26 0.00 0.00 57.72 53.25 3hkm n HIS 97 Cb 0.93 -0.35 0.11 0.00 1.12 0.00 0.00 29.99 31.80 3hkm n HIS 97 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3hkm n PRO 98 N 1.49 0.35 -3.57 -0.41 -0.02 -1.26 -3.71 135.00 127.88 3hkm n PRO 98 Ca 0.25 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.66 3hkm n PRO 98 Cb 0.47 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3hkm n PRO 98 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3hkm n ASN 99 N -2.74 -5.34 -3.71 2.55 4.05 -0.69 -4.83 115.26 104.55 3hkm n ASN 99 Ca 0.14 -0.92 -0.12 0.00 0.45 0.00 0.00 54.58 54.13 3hkm n ASN 99 Cb 0.50 -3.93 -0.10 0.00 1.23 0.00 0.00 39.78 37.48 3hkm n ASN 99 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3hkm s THR 100 N -3.46 -0.01 -0.19 -0.44 2.01 -1.03 -0.26 115.64 112.26 3hkm s THR 100 Ca 0.43 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3hkm s THR 100 Cb -0.13 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.79 3hkm s THR 100 CO 0.82 0.02 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.70 3hkm s THR 101 N 0.76 2.25 -0.18 -0.82 2.01 0.13 0.21 115.64 119.99 3hkm s THR 101 Ca -0.04 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 3hkm s THR 101 Cb -0.05 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3hkm s THR 101 CO -0.06 0.52 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.47 3hkm s THR 102 N 1.32 3.73 -0.15 -0.82 2.01 0.44 -0.72 115.64 121.44 3hkm s THR 102 Ca 0.05 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 3hkm s THR 102 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3hkm s THR 102 CO -0.12 0.46 0.03 -0.44 -0.69 0.00 0.00 174.62 173.86 3hkm s SER 103 N 0.83 5.39 -0.13 3.53 0.01 -0.99 -0.35 113.70 122.00 3hkm s SER 103 Ca -0.01 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.34 3hkm s SER 103 Cb -0.14 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.26 3hkm s SER 103 CO 0.02 0.22 -0.22 -0.69 0.41 0.00 0.00 173.24 172.98 3hkm s VAL 104 N 0.06 2.11 -0.21 3.43 1.01 0.35 -0.86 120.40 126.28 3hkm s VAL 104 Ca 0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 3hkm s VAL 104 Cb -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3hkm s VAL 104 CO 0.01 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.91 3hkm s ILE 105 N 0.70 2.60 -0.43 2.22 1.01 -0.04 -1.41 121.20 125.85 3hkm s ILE 105 Ca -0.10 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.56 3hkm s ILE 105 Cb -0.16 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.18 3hkm s ILE 105 CO 0.01 0.40 0.30 -0.22 0.00 0.00 0.00 174.94 175.42 3hkm s LEU 106 N 1.34 5.25 -0.25 2.97 1.98 -0.27 -0.91 118.68 128.79 3hkm s LEU 106 Ca 0.03 -1.37 -0.14 0.00 -2.89 0.00 0.00 54.13 49.76 3hkm s LEU 106 Cb -0.15 -2.06 -0.04 0.00 0.66 0.00 0.00 46.19 44.61 3hkm s LEU 106 CO -0.08 -0.55 0.34 -1.58 -1.89 0.00 0.00 176.35 172.59 3hkm s GLN 107 N 1.52 4.05 -0.12 1.98 2.00 0.15 0.24 119.66 129.49 3hkm s GLN 107 Ca 0.03 0.02 -0.29 0.00 -2.00 0.00 0.00 55.36 53.12 3hkm s GLN 107 Cb -0.23 -3.62 -0.02 0.00 0.80 0.00 0.00 33.01 29.94 3hkm s GLN 107 CO 0.04 -0.18 1.22 0.08 -0.50 0.00 0.00 175.29 175.94 3hkm s VAL 108 N 1.78 4.31 -0.23 1.34 1.01 0.59 -0.04 120.40 129.17 3hkm s VAL 108 Ca 0.15 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.79 3hkm s VAL 108 Cb -0.15 -4.03 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 3hkm s VAL 108 CO 0.09 -0.08 -0.14 0.52 0.00 0.00 0.00 175.10 175.49 3hkm n VAL 109 N 5.03 1.35 -3.67 2.92 0.31 -0.35 -3.68 118.33 120.24 3hkm n VAL 109 Ca 0.12 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 3hkm n VAL 109 Cb 0.46 -1.14 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 3hkm n VAL 109 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3hkm s GLY 110 N -6.07 -0.41 -0.28 2.92 0.00 0.75 -4.88 107.32 99.35 3hkm s GLY 110 Ca -0.27 1.35 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3hkm s GLY 110 CO 0.60 1.11 0.04 0.21 0.00 0.00 0.00 173.10 175.07 3hkm s ASN 111 N -0.17 3.98 -0.42 1.64 3.84 -1.25 0.03 114.94 122.59 3hkm s ASN 111 Ca -0.04 -1.52 0.09 0.00 0.21 0.00 0.00 52.86 51.61 3hkm s ASN 111 Cb -0.03 -1.04 0.42 0.00 -0.55 0.00 0.00 41.25 40.04 3hkm s ASN 111 CO 0.03 -0.35 1.02 -0.67 -2.79 0.00 0.00 177.10 174.34 3hkm n ASP 112 N 4.72 3.53 0.00 -4.21 4.64 -1.24 -4.88 116.55 119.12 3hkm n ASP 112 Ca -0.04 -3.39 0.00 0.00 -1.38 0.00 0.00 54.79 49.97 3hkm n ASP 112 Cb 0.43 -0.50 0.00 0.00 -1.04 0.00 0.00 41.12 40.01 3hkm n ASP 112 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hkm n GLY 113 N -0.28 1.37 3.54 0.27 0.00 -1.26 -2.49 105.19 106.32 3hkm n GLY 113 Ca 0.29 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 3hkm n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hkm n SER 114 N -0.26 -5.45 -0.22 1.61 7.64 -1.07 -4.77 113.62 111.10 3hkm n SER 114 Ca 0.00 -0.54 -0.04 0.00 1.01 0.00 0.00 58.87 59.30 3hkm n SER 114 Cb 0.00 -4.36 0.06 0.00 -1.01 0.00 0.00 64.21 58.91 3hkm n SER 114 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hkm h LEU 115 N -1.94 0.65 0.13 -3.43 5.85 -1.93 -2.28 115.31 112.35 3hkm h LEU 115 Ca -0.55 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3hkm h LEU 115 Cb 1.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3hkm h LEU 115 CO 0.60 0.45 -0.06 0.25 -0.34 0.00 0.00 178.44 179.34 3hkm h LEU 116 N 0.78 -0.15 -0.41 2.25 7.12 -1.98 -1.62 115.31 121.29 3hkm h LEU 116 Ca 0.25 -0.25 0.09 0.00 0.13 0.00 0.00 57.88 58.10 3hkm h LEU 116 Cb 0.01 0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.09 3hkm h LEU 116 CO -0.10 0.18 -0.15 -0.65 -0.13 0.00 0.00 178.44 177.59 3hkm h PRO 117 N -0.50 -0.06 -0.85 5.25 0.11 -1.90 -0.81 132.00 133.24 3hkm h PRO 117 Ca -0.02 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.29 3hkm h PRO 117 Cb 0.39 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.40 3hkm h PRO 117 CO 0.03 -0.04 0.35 0.00 -0.21 0.00 0.00 178.00 178.13 3hkm h ALA 119 N 1.66 0.05 -0.46 0.00 0.00 -0.29 -0.70 119.26 119.52 3hkm h ALA 119 Ca 0.51 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.30 3hkm h ALA 119 Cb 0.91 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3hkm h ALA 119 CO -0.50 -0.26 0.15 0.82 0.00 0.00 0.00 179.25 179.47 3hkm h ILE 120 N -0.25 0.83 -0.18 0.00 2.04 -0.69 0.41 117.51 119.66 3hkm h ILE 120 Ca 0.01 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hkm h ILE 120 Cb 0.36 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3hkm h ILE 120 CO 0.00 0.06 0.03 0.78 0.00 0.00 0.00 178.15 179.02 3hkm h ASN 121 N 0.32 0.01 -0.61 1.72 -0.26 -0.85 0.09 115.58 116.01 3hkm h ASN 121 Ca 0.22 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3hkm h ASN 121 Cb 0.23 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 3hkm h ASN 121 CO -0.23 0.03 0.38 0.00 -1.06 0.00 0.00 177.43 176.55 3hkm h ALA 122 N 1.13 0.77 -0.20 -0.83 0.00 -0.62 -1.80 119.26 117.71 3hkm h ALA 122 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3hkm h ALA 122 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hkm h ALA 122 CO -0.11 0.23 -0.43 0.00 0.00 0.00 0.00 179.25 178.94 3hkm h ALA 125 N 0.18 1.32 -0.01 0.00 0.00 -1.18 -1.05 119.26 118.53 3hkm h ALA 125 Ca -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3hkm h ALA 125 Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hkm h ALA 125 CO 0.05 -0.21 -0.55 0.00 0.00 0.00 0.00 179.25 178.54 3hkm h ALA 126 N 1.62 1.08 -0.19 0.00 0.00 -1.21 -1.21 119.26 119.34 3hkm h ALA 126 Ca 0.50 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hkm h ALA 126 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hkm h ALA 126 CO -0.44 0.69 -0.36 -0.07 0.00 0.00 0.00 179.25 179.07 3hkm h LEU 127 N 0.02 0.43 0.09 0.00 3.38 -0.17 -0.51 115.31 118.55 3hkm h LEU 127 Ca -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hkm h LEU 127 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hkm h LEU 127 CO 0.07 0.76 -0.04 0.58 0.09 0.00 0.00 178.44 179.90 3hkm h VAL 128 N 0.35 1.15 -0.84 1.22 2.07 -1.12 -1.38 116.25 117.71 3hkm h VAL 128 Ca 0.04 -1.02 0.19 0.00 0.82 0.00 0.00 66.70 66.73 3hkm h VAL 128 Cb 0.79 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3hkm h VAL 128 CO 0.06 0.24 0.57 -0.26 0.02 0.00 0.00 177.57 178.20 3hkm h PHE 129 N -0.60 0.44 0.00 1.57 0.04 -1.13 -2.59 116.94 114.67 3hkm h PHE 129 Ca -0.01 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 3hkm h PHE 129 Cb 0.49 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3hkm h PHE 129 CO 0.08 0.13 -0.60 0.00 -0.60 0.00 0.00 178.31 177.32 3hkm h ALA 130 N 1.62 0.67 -0.36 2.45 0.00 -1.05 -3.43 119.26 119.17 3hkm h ALA 130 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hkm h ALA 130 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hkm h ALA 130 CO -0.14 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3hkm n GLY 131 N 1.24 0.99 3.47 0.00 0.00 -0.98 -4.75 105.19 105.17 3hkm n GLY 131 Ca 0.01 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3hkm n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkm s ILE 132 N -2.36 4.69 0.23 -0.61 -1.09 -0.55 -4.98 121.20 116.54 3hkm s ILE 132 Ca 0.00 -0.24 -0.32 0.00 -2.23 0.00 0.00 60.65 57.86 3hkm s ILE 132 Cb 0.00 -3.31 -0.12 0.00 -1.58 0.00 0.00 42.46 37.45 3hkm s ILE 132 CO 0.00 0.17 1.71 -2.84 -1.23 0.00 0.00 174.94 172.74 3hkm s PRO 133 N 1.65 4.12 -0.03 2.79 0.02 -1.26 -4.66 135.00 137.62 3hkm s PRO 133 Ca 0.06 2.62 0.07 0.00 0.02 0.00 0.00 61.00 63.76 3hkm s PRO 133 Cb -0.16 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 3hkm s PRO 133 CO 0.07 -0.74 -0.25 -0.51 -0.33 0.00 0.00 177.00 175.24 3hkm s LEU 134 N 0.87 2.05 0.22 -5.54 1.02 -1.26 -1.33 118.68 114.72 3hkm s LEU 134 Ca 0.73 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 54.32 3hkm s LEU 134 Cb -0.50 -1.32 0.22 0.00 0.02 0.00 0.00 46.19 44.61 3hkm s LEU 134 CO 0.35 0.28 1.87 0.11 0.02 0.00 0.00 176.35 178.99 3hkm h LYS 135 N 5.74 0.99 -1.91 1.70 1.57 -0.95 -3.44 116.57 120.28 3hkm h LYS 135 Ca -0.38 -0.06 0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3hkm h LYS 135 Cb 1.14 -0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.10 3hkm h LYS 135 CO 0.47 0.66 0.65 -3.38 -0.57 0.00 0.00 179.45 177.28 3hkm s HIS 136 N -6.11 -0.15 0.50 -1.35 -3.43 -1.25 -4.93 115.29 98.56 3hkm s HIS 136 Ca -0.13 -0.01 -0.21 0.00 -0.80 0.00 0.00 55.06 53.92 3hkm s HIS 136 Cb 0.16 0.57 -0.07 0.00 -1.43 0.00 0.00 32.58 31.81 3hkm s HIS 136 CO 0.79 -0.49 1.11 -0.51 -2.00 0.00 0.00 174.74 173.64 3hkm s LEU 137 N -2.70 3.87 -0.19 5.38 1.02 -1.24 -4.85 118.68 119.98 3hkm s LEU 137 Ca 0.11 2.14 -0.09 0.00 0.02 0.00 0.00 54.13 56.31 3hkm s LEU 137 Cb 0.01 -4.46 -0.05 0.00 0.02 0.00 0.00 46.19 41.71 3hkm s LEU 137 CO -0.03 -0.98 0.10 0.00 0.02 0.00 0.00 176.35 175.45 3hkm s ALA 138 N -1.75 3.55 -0.10 4.21 0.00 -1.26 -0.10 121.76 126.31 3hkm s ALA 138 Ca 0.68 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.95 3hkm s ALA 138 Cb -0.23 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.86 3hkm s ALA 138 CO 0.27 0.19 -0.19 0.08 0.00 0.00 0.00 175.76 176.11 3hkm s VAL 139 N 0.31 1.76 0.02 0.00 1.01 0.68 -4.70 120.40 119.49 3hkm s VAL 139 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hkm s VAL 139 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3hkm s VAL 139 CO -0.01 0.49 -0.19 0.00 0.00 0.00 0.00 175.10 175.40 3hkm s ALA 140 N 0.64 1.60 -0.02 5.51 0.00 -1.26 0.75 121.76 128.98 3hkm s ALA 140 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3hkm s ALA 140 Cb -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3hkm s ALA 140 CO 0.03 0.36 -0.08 0.42 0.00 0.00 0.00 175.76 176.50 3hkm s ILE 141 N -0.68 0.70 -0.47 0.00 1.01 -0.88 -4.79 121.20 116.10 3hkm s ILE 141 Ca 0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 3hkm s ILE 141 Cb -0.08 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.79 3hkm s ILE 141 CO 0.01 0.22 0.76 -0.83 0.00 0.00 0.00 174.94 175.10 3hkm s GLY 142 N 0.19 1.61 0.22 6.18 0.00 -1.26 -2.09 107.32 112.18 3hkm s GLY 142 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.55 3hkm s GLY 142 CO 0.00 1.74 0.39 0.00 0.00 0.00 0.00 173.10 175.23 3hkm s GLY 144 N -3.46 0.67 -0.06 0.00 0.00 0.10 -0.72 107.32 103.86 3hkm s GLY 144 Ca 0.37 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.89 3hkm s GLY 144 CO 0.30 -1.34 -0.15 0.14 0.00 0.00 0.00 173.10 172.05 3hkm s VAL 145 N -3.36 1.32 0.88 1.40 1.01 -0.87 0.18 120.40 120.96 3hkm s VAL 145 Ca 0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3hkm s VAL 145 Cb 0.04 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.42 3hkm s VAL 145 CO -0.05 0.39 1.22 -0.76 0.00 0.00 0.00 175.10 175.90 3hkm s LEU 146 N 0.34 2.76 0.14 3.92 1.43 0.31 -4.02 118.68 123.55 3hkm s LEU 146 Ca -0.10 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 3hkm s LEU 146 Cb -0.14 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3hkm s LEU 146 CO 0.03 -2.38 1.76 1.05 0.23 0.00 0.00 176.35 177.04 3hkm h GLU 147 N -1.27 0.25 -0.30 1.70 9.09 -2.01 -2.09 114.58 119.95 3hkm h GLU 147 Ca -0.43 -0.02 0.09 0.00 0.05 0.00 0.00 59.36 59.05 3hkm h GLU 147 Cb 1.26 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 3hkm h GLU 147 CO 0.43 0.17 0.22 -0.44 0.05 0.00 0.00 179.01 179.44 3hkm h ASP 148 N 0.26 0.00 0.00 3.06 3.32 -2.06 -3.44 116.42 117.56 3hkm h ASP 148 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hkm h ASP 148 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hkm h ASP 148 CO -0.12 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 3hkm n GLY 149 N -1.57 0.99 3.74 2.75 0.00 -0.79 -5.10 105.19 105.20 3hkm n GLY 149 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hkm n GLY 149 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hkm s GLU 150 N -0.43 4.68 0.21 1.61 2.12 -1.26 -4.68 118.70 120.94 3hkm s GLU 150 Ca 0.00 1.56 -0.14 0.00 0.36 0.00 0.00 54.97 56.75 3hkm s GLU 150 Cb 0.00 -3.32 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 3hkm s GLU 150 CO 0.00 0.20 0.61 0.08 -0.54 0.00 0.00 175.26 175.61 3hkm s VAL 151 N -0.27 4.79 -0.15 3.70 1.01 -1.26 0.11 120.40 128.33 3hkm s VAL 151 Ca 0.47 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3hkm s VAL 151 Cb -0.26 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3hkm s VAL 151 CO 0.32 0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.79 3hkm s ILE 152 N -1.63 1.38 0.09 2.22 1.09 0.13 -4.47 121.20 120.00 3hkm s ILE 152 Ca 0.43 -0.63 -0.08 0.00 -1.10 0.00 0.00 60.65 59.27 3hkm s ILE 152 Cb -0.14 -1.39 -0.06 0.00 -1.06 0.00 0.00 42.46 39.81 3hkm s ILE 152 CO 0.20 0.32 0.38 -0.76 -0.10 0.00 0.00 174.94 174.98 3hkm s LEU 153 N 1.55 4.33 -0.60 2.97 1.43 -0.08 0.00 118.68 128.27 3hkm s LEU 153 Ca 0.03 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 3hkm s LEU 153 Cb -0.14 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.07 3hkm s LEU 153 CO -0.09 0.15 0.64 -0.67 0.23 0.00 0.00 176.35 176.61 3hkm n ASP 154 N 0.73 -6.35 -4.74 2.29 2.03 0.63 -4.60 116.55 106.54 3hkm n ASP 154 Ca -0.07 -0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.64 3hkm n ASP 154 Cb 0.52 -3.25 -0.03 0.00 -0.72 0.00 0.00 41.12 37.64 3hkm n ASP 154 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3hkm s THR 155 N -2.43 3.41 0.87 5.18 -4.23 -0.76 -4.73 115.64 112.94 3hkm s THR 155 Ca 0.18 1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 61.76 3hkm s THR 155 Cb -0.03 -3.77 0.20 0.00 1.34 0.00 0.00 72.50 70.24 3hkm s THR 155 CO 0.83 0.20 1.18 -0.46 -0.54 0.00 0.00 174.62 175.84 3hkm n ASN 156 N 2.33 0.21 -0.20 3.99 2.04 -1.26 -2.60 115.26 119.75 3hkm n ASN 156 Ca 0.04 -1.50 -0.09 0.00 -0.44 0.00 0.00 54.58 52.59 3hkm n ASN 156 Cb 0.44 -0.89 0.03 0.00 -2.53 0.00 0.00 39.78 36.83 3hkm n ASN 156 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3hkm h LYS 157 N 0.00 1.07 0.08 -3.83 3.64 -1.80 -2.60 116.57 113.11 3hkm h LYS 157 Ca -0.38 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 58.66 3hkm h LYS 157 Cb 1.08 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3hkm h LYS 157 CO 0.28 1.06 -0.21 0.00 -2.27 0.00 0.00 179.45 178.30 3hkm h ALA 158 N 0.98 -0.33 -0.73 5.00 0.00 -1.94 -2.37 119.26 119.86 3hkm h ALA 158 Ca 0.16 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3hkm h ALA 158 Cb 0.60 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3hkm h ALA 158 CO 0.04 -0.73 0.48 0.93 0.00 0.00 0.00 179.25 179.97 3hkm h GLU 159 N -0.38 0.64 0.00 0.00 5.08 -1.92 -1.40 114.58 116.59 3hkm h GLU 159 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hkm h GLU 159 Cb 0.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hkm h GLU 159 CO -0.15 0.42 0.00 0.39 -1.00 0.00 0.00 179.01 178.68 3hkm n GLU 160 N -4.49 0.28 -0.02 2.33 1.02 -0.92 -2.45 120.64 116.38 3hkm n GLU 160 Ca 0.12 0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 3hkm n GLU 160 Cb 0.32 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.10 3hkm n GLU 160 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hkm n GLN 161 N -1.34 0.74 -0.06 3.49 3.00 -0.54 -4.68 117.38 117.99 3hkm n GLN 161 Ca 0.11 0.24 0.07 0.00 -0.01 0.00 0.00 57.00 57.40 3hkm n GLN 161 Cb 0.23 -1.67 0.10 0.00 0.00 0.00 0.00 30.24 28.90 3hkm n GLN 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hkm n GLN 162 N -3.43 1.85 -4.06 -1.09 -0.00 -1.15 -5.03 117.38 104.48 3hkm n GLN 162 Ca -0.35 -2.27 -0.23 0.00 -0.00 0.00 0.00 57.00 54.15 3hkm n GLN 162 Cb 1.04 -1.36 -0.04 0.00 -0.00 0.00 0.00 30.24 29.87 3hkm n GLN 162 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3hkm s LEU 163 N -2.31 3.97 0.06 2.61 2.96 -1.03 -5.05 118.68 119.89 3hkm s LEU 163 Ca 0.23 -0.11 -0.22 0.00 -0.22 0.00 0.00 54.13 53.81 3hkm s LEU 163 Cb 0.20 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 44.23 3hkm s LEU 163 CO 0.02 -0.01 1.53 0.11 -1.32 0.00 0.00 176.35 176.69 3hkm h LYS 164 N 1.75 0.17 -3.35 1.98 1.79 -1.91 -3.47 116.57 113.53 3hkm h LYS 164 Ca -0.49 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 57.84 3hkm h LYS 164 Cb 1.22 -0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 31.68 3hkm h LYS 164 CO 0.62 0.36 -0.28 -1.54 -1.08 0.00 0.00 179.45 177.53 3hkm s SER 165 N -5.60 -0.09 0.07 0.86 1.04 -1.26 -2.78 113.70 105.94 3hkm s SER 165 Ca -0.14 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.08 3hkm s SER 165 Cb 0.05 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3hkm s SER 165 CO 0.69 -0.59 -0.06 -0.36 0.98 0.00 0.00 173.24 173.89 3hkm s PHE 166 N -2.50 0.74 -0.22 5.02 0.08 -0.09 -2.04 117.98 118.96 3hkm s PHE 166 Ca -0.05 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.20 3hkm s PHE 166 Cb -0.01 -0.45 0.11 0.00 -0.57 0.00 0.00 43.02 42.10 3hkm s PHE 166 CO -0.03 -0.15 0.26 0.00 -0.10 0.00 0.00 175.22 175.20 3hkm s ALA 167 N -2.73 -0.45 -0.43 5.36 0.00 0.10 -0.57 121.76 123.04 3hkm s ALA 167 Ca 0.02 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 3hkm s ALA 167 Cb -0.01 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.68 3hkm s ALA 167 CO -0.03 -1.29 1.09 -1.01 0.00 0.00 0.00 175.76 174.52 3hkm s HIS 168 N 2.37 2.92 -0.12 0.00 3.76 -0.51 -0.96 115.29 122.74 3hkm s HIS 168 Ca 0.08 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.80 3hkm s HIS 168 Cb -0.15 -4.18 -0.01 0.00 1.11 0.00 0.00 32.58 29.34 3hkm s HIS 168 CO -0.16 -1.12 -0.14 -0.51 -0.85 0.00 0.00 174.74 171.96 3hkm s LEU 169 N 4.15 2.66 -0.22 0.89 1.43 -0.89 -0.96 118.68 125.74 3hkm s LEU 169 Ca 0.46 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3hkm s LEU 169 Cb -0.09 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3hkm s LEU 169 CO 0.27 0.18 0.03 0.54 0.23 0.00 0.00 176.35 177.60 3hkm s VAL 170 N 0.28 4.14 0.01 -1.59 0.11 -0.29 -2.07 120.40 120.99 3hkm s VAL 170 Ca -0.10 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 3hkm s VAL 170 Cb -0.16 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 3hkm s VAL 170 CO 0.06 0.39 0.07 -0.36 -3.33 0.00 0.00 175.10 171.93 3hkm s PHE 171 N 1.23 3.24 0.06 1.54 0.08 0.23 -0.93 117.98 123.42 3hkm s PHE 171 Ca 0.04 0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.97 3hkm s PHE 171 Cb -0.15 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 3hkm s PHE 171 CO 0.02 0.53 0.92 -1.25 -0.10 0.00 0.00 175.22 175.35 3hkm s PRO 172 N -1.77 4.62 -1.17 0.24 0.05 -1.26 -0.23 135.00 135.48 3hkm s PRO 172 Ca 0.23 1.36 -0.05 0.00 0.05 0.00 0.00 61.00 62.59 3hkm s PRO 172 Cb -0.12 -3.40 0.24 0.00 0.05 0.00 0.00 34.50 31.27 3hkm s PRO 172 CO 0.14 0.15 1.83 -1.71 0.05 0.00 0.00 177.00 177.45 3hkm n ASN 173 N 3.13 6.59 0.00 6.66 5.15 0.86 -4.82 115.26 132.83 3hkm n ASN 173 Ca 0.02 -3.35 0.05 0.00 -0.60 0.00 0.00 54.58 50.71 3hkm n ASN 173 Cb 0.50 -1.32 0.25 0.00 -0.53 0.00 0.00 39.78 38.68 3hkm n ASN 173 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3hkm n SER 174 N 1.74 0.00 -4.92 1.20 7.64 -1.26 -3.59 113.62 114.43 3hkm n SER 174 Ca 0.41 0.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.19 3hkm n SER 174 Cb 0.31 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3hkm n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hkm s ARG 175 N -2.56 2.35 0.00 1.43 1.70 -1.26 -4.83 118.95 115.77 3hkm s ARG 175 Ca 0.10 -1.80 0.00 0.00 -0.47 0.00 0.00 55.73 53.55 3hkm s ARG 175 Cb 0.07 -2.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.16 3hkm s ARG 175 CO 0.15 -0.53 0.00 1.63 -1.08 0.00 0.00 175.30 175.47 3hkm n LYS 176 N -1.79 0.00 0.00 3.89 4.01 -1.26 -4.96 118.16 118.05 3hkm n LYS 176 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3hkm n LYS 176 Cb 0.63 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.15 3hkm n LYS 176 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3hkm n ARG 192 N 0.00 0.00 0.00 1.97 0.63 -1.26 -5.16 116.66 112.84 3hkm n ARG 192 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hkm n ARG 192 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3hkm n ARG 192 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hkm n GLY 193 N 0.00 -0.07 3.11 5.14 0.00 -1.26 -5.08 105.19 107.03 3hkm n GLY 193 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.25 3hkm n GLY 193 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkm s LEU 194 N 0.00 -1.26 0.13 0.99 2.96 -1.26 -4.64 118.68 115.61 3hkm s LEU 194 Ca 0.00 0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 54.43 3hkm s LEU 194 Cb 0.00 1.97 -0.01 0.00 0.50 0.00 0.00 46.19 48.65 3hkm s LEU 194 CO 0.00 -0.27 1.66 0.40 -1.32 0.00 0.00 176.35 176.82 3hkm h ILE 195 N 6.03 0.57 -2.42 6.68 2.04 -1.34 -3.47 117.51 125.60 3hkm h ILE 195 Ca -0.22 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.85 3hkm h ILE 195 Cb 1.16 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3hkm h ILE 195 CO 0.26 0.00 0.67 -0.89 0.00 0.00 0.00 178.15 178.19 3hkm s THR 196 N -6.14 0.00 -0.02 -0.27 2.01 -1.13 -5.00 115.64 105.09 3hkm s THR 196 Ca -0.14 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 3hkm s THR 196 Cb 0.11 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.76 3hkm s THR 196 CO 0.68 0.00 0.41 -0.94 -0.69 0.00 0.00 174.62 174.08 3hkm s SER 197 N -3.50 -0.32 -0.10 3.53 1.04 -1.26 -1.14 113.70 111.97 3hkm s SER 197 Ca 0.24 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 3hkm s SER 197 Cb -0.02 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.52 3hkm s SER 197 CO 0.04 -0.50 0.07 0.27 0.98 0.00 0.00 173.24 174.09 3hkm s ILE 198 N -1.37 -0.08 0.08 -1.02 -5.25 -0.14 -5.00 121.20 108.43 3hkm s ILE 198 Ca -0.12 0.17 -0.09 0.00 -0.99 0.00 0.00 60.65 59.61 3hkm s ILE 198 Cb -0.04 -0.35 -0.06 0.00 2.95 0.00 0.00 42.46 44.97 3hkm s ILE 198 CO 0.05 -0.01 0.38 0.42 -1.79 0.00 0.00 174.94 174.00 3hkm s THR 199 N 2.15 5.12 0.09 8.37 -4.23 -1.26 -1.42 115.64 124.45 3hkm s THR 199 Ca 0.04 0.39 0.08 0.00 -1.18 0.00 0.00 61.69 61.02 3hkm s THR 199 Cb -0.14 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 3hkm s THR 199 CO -0.06 0.28 -0.21 -1.00 -0.54 0.00 0.00 174.62 173.10 3hkm s HIS 200 N -1.41 1.77 0.00 3.99 0.09 0.26 -4.99 115.29 115.01 3hkm s HIS 200 Ca 0.33 -0.41 0.00 0.00 -0.00 0.00 0.00 55.06 54.98 3hkm s HIS 200 Cb -0.14 -0.99 0.00 0.00 -0.00 0.00 0.00 32.58 31.45 3hkm s HIS 200 CO 0.18 0.18 0.00 0.41 -0.00 0.00 0.00 174.74 175.51 3hkm n GLY 201 N 1.26 -0.16 3.56 -2.22 0.00 -1.26 -0.92 105.19 105.45 3hkm n GLY 201 Ca -0.19 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3hkm n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkm s VAL 202 N 0.00 5.16 -0.24 1.61 0.11 -1.12 -4.94 120.40 120.98 3hkm s VAL 202 Ca 0.00 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3hkm s VAL 202 Cb 0.00 -3.48 0.07 0.00 -1.53 0.00 0.00 36.38 31.44 3hkm s VAL 202 CO 0.00 0.22 0.03 -0.32 -3.33 0.00 0.00 175.10 171.71 3hkm s MET 203 N 1.73 0.90 0.87 1.54 0.00 -1.26 -4.29 119.30 118.80 3hkm s MET 203 Ca 0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 55.69 54.87 3hkm s MET 203 Cb -0.16 -2.20 0.12 0.00 0.00 0.00 0.00 34.83 32.59 3hkm s MET 203 CO 0.10 -0.74 1.15 -1.54 0.00 0.00 0.00 175.02 173.99 3hkm s SER 204 N 1.67 3.88 0.21 1.11 1.04 -1.26 -4.88 113.70 115.47 3hkm s SER 204 Ca 0.01 0.90 -0.04 0.00 0.48 0.00 0.00 55.95 57.30 3hkm s SER 204 Cb -0.18 -1.45 0.17 0.00 0.10 0.00 0.00 66.02 64.66 3hkm s SER 204 CO -0.13 -2.31 1.60 -0.08 0.98 0.00 0.00 173.24 173.30 3hkm h GLU 205 N -1.33 0.72 -0.45 4.02 4.81 -2.00 -1.59 114.58 118.76 3hkm h GLU 205 Ca -0.49 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 3hkm h GLU 205 Cb 1.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3hkm h GLU 205 CO 0.63 0.94 0.29 1.49 -0.73 0.00 0.00 179.01 181.63 3hkm h GLU 206 N 0.61 0.60 -0.22 1.92 4.57 -1.99 -0.09 114.58 119.99 3hkm h GLU 206 Ca 0.07 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 3hkm h GLU 206 Cb 0.83 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3hkm h GLU 206 CO 0.07 0.42 -0.55 -0.44 -1.18 0.00 0.00 179.01 177.34 3hkm h ASP 207 N 0.60 0.72 0.25 1.04 3.32 -1.91 -2.58 116.42 117.87 3hkm h ASP 207 Ca 0.16 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3hkm h ASP 207 Cb -0.04 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3hkm h ASP 207 CO -0.03 1.12 -0.35 0.22 -1.72 0.00 0.00 179.24 178.47 3hkm h TYR 208 N 0.50 -0.96 -0.00 4.55 3.20 -0.85 -0.93 116.97 122.48 3hkm h TYR 208 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hkm h TYR 208 Cb 1.11 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 3hkm h TYR 208 CO 0.05 -0.48 0.00 0.74 -1.64 0.00 0.00 178.16 176.83 3hkm h PHE 209 N -0.66 0.00 -0.30 -3.82 0.05 -1.02 -1.61 116.94 109.57 3hkm h PHE 209 Ca -0.00 0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.66 3hkm h PHE 209 Cb 0.64 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.58 3hkm h PHE 209 CO -0.25 0.00 -0.33 0.77 -0.18 0.00 0.00 178.31 178.32 3hkm h SER 210 N 0.00 0.81 -0.47 2.17 0.02 -1.02 -2.06 113.55 113.00 3hkm h SER 210 Ca 0.00 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3hkm h SER 210 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3hkm h SER 210 CO -0.00 1.13 0.26 0.00 -1.14 0.00 0.00 176.83 177.08 3hkm h ILE 212 N 0.70 1.28 0.19 0.00 2.04 -1.24 1.00 117.51 121.47 3hkm h ILE 212 Ca 0.18 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 3hkm h ILE 212 Cb 0.04 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3hkm h ILE 212 CO -0.03 0.53 -0.09 -0.08 0.00 0.00 0.00 178.15 178.48 3hkm h GLU 213 N 0.63 -0.25 0.00 2.37 4.81 -1.06 0.08 114.58 121.16 3hkm h GLU 213 Ca 0.04 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3hkm h GLU 213 Cb 1.03 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3hkm h GLU 213 CO 0.10 0.06 -0.53 0.00 -0.73 0.00 0.00 179.01 177.91 3hkm h ARG 214 N -0.57 0.00 -0.12 1.92 3.08 -1.32 -1.72 114.38 115.64 3hkm h ARG 214 Ca -0.03 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.80 3hkm h ARG 214 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3hkm h ARG 214 CO 0.04 0.53 -0.80 0.78 -1.07 0.00 0.00 179.97 179.45 3hkm h GLY 215 N 1.81 0.84 1.05 0.04 0.00 -0.83 -2.98 103.07 103.00 3hkm h GLY 215 Ca -0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 47.33 46.02 3hkm h GLY 215 CO 0.07 1.10 0.15 -2.00 0.00 0.00 0.00 176.54 175.86 3hkm h LEU 216 N 0.48 1.02 0.04 3.11 5.85 -0.74 -0.56 115.31 124.52 3hkm h LEU 216 Ca -0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3hkm h LEU 216 Cb 1.44 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hkm h LEU 216 CO 0.16 1.00 -0.02 0.00 -0.34 0.00 0.00 178.44 179.24 3hkm h ALA 217 N 1.06 -0.06 0.00 1.25 0.00 -1.39 -3.00 119.26 117.13 3hkm h ALA 217 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hkm h ALA 217 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hkm h ALA 217 CO 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 179.25 178.48 3hkm h ALA 218 N 0.74 1.37 -0.74 0.00 0.00 -1.47 -3.28 119.26 115.89 3hkm h ALA 218 Ca -0.01 -0.30 0.19 0.00 0.00 0.00 0.00 54.91 54.80 3hkm h ALA 218 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hkm h ALA 218 CO 0.01 0.41 0.52 0.66 0.00 0.00 0.00 179.25 180.84 3hkm h SER 219 N 0.00 0.13 -0.87 0.00 4.64 -0.94 0.15 113.55 116.66 3hkm h SER 219 Ca -0.00 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.49 3hkm h SER 219 Cb 0.61 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 3hkm h SER 219 CO 0.04 0.06 0.57 0.28 -0.87 0.00 0.00 176.83 176.91 3hkm h SER 220 N 0.13 0.56 -0.98 4.97 0.02 -1.69 -1.87 113.55 114.70 3hkm h SER 220 Ca 0.36 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.44 3hkm h SER 220 Cb 1.23 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 3hkm h SER 220 CO -0.05 0.27 0.63 0.03 -1.14 0.00 0.00 176.83 176.56 3hkm h ARG 221 N 0.58 1.02 0.12 3.45 2.47 -0.94 -0.44 114.38 120.65 3hkm h ARG 221 Ca 0.44 -0.06 -0.27 0.00 -1.26 0.00 0.00 59.98 58.83 3hkm h ARG 221 Cb 0.85 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3hkm h ARG 221 CO -0.19 0.68 -1.25 0.82 0.56 0.00 0.00 179.97 180.59 3hkm h ILE 222 N 1.06 1.49 0.02 2.04 2.04 -1.49 -2.99 117.51 119.67 3hkm h ILE 222 Ca 0.45 -3.07 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 3hkm h ILE 222 Cb 0.32 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3hkm h ILE 222 CO -0.20 0.89 -0.01 0.28 0.00 0.00 0.00 178.15 179.11 3hkm h SER 223 N 0.07 -0.02 -0.32 1.72 0.02 -1.06 -1.40 113.55 112.57 3hkm h SER 223 Ca -0.13 -0.29 0.07 0.00 -0.84 0.00 0.00 61.79 60.60 3hkm h SER 223 Cb 1.97 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.43 3hkm h SER 223 CO 0.20 0.28 -0.33 0.44 -1.14 0.00 0.00 176.83 176.28 3hkm h ASP 224 N -0.32 -1.06 -0.61 3.07 3.32 -1.21 0.19 116.42 119.80 3hkm h ASP 224 Ca -0.00 0.18 0.13 0.00 0.02 0.00 0.00 57.03 57.35 3hkm h ASP 224 Cb 0.31 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 40.23 3hkm h ASP 224 CO 0.00 -0.33 -0.04 0.15 -1.72 0.00 0.00 179.24 177.30 3hkm h PHE 225 N -0.29 -0.12 -0.74 4.55 3.57 -1.45 0.27 116.94 122.73 3hkm h PHE 225 Ca 0.15 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3hkm h PHE 225 Cb 0.54 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3hkm h PHE 225 CO -0.50 -0.19 0.39 0.52 -2.23 0.00 0.00 178.31 176.29 3hkm h MET 226 N 0.08 1.04 -0.26 1.11 2.86 -0.39 -2.66 114.93 116.71 3hkm h MET 226 Ca 0.32 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3hkm h MET 226 Cb 0.51 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3hkm h MET 226 CO -0.56 0.79 0.00 0.54 1.06 0.00 0.00 176.91 178.74 3hkm n ARG 227 N -4.44 1.76 0.00 1.72 1.74 0.60 -3.42 116.66 114.62 3hkm n ARG 227 Ca 0.06 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 3hkm n ARG 227 Cb 0.11 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3hkm n ARG 227 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hkm n THR 228 N 0.41 0.00 -0.29 0.55 -1.04 -0.02 -4.71 114.28 109.18 3hkm n THR 228 Ca 0.14 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.12 3hkm n THR 228 Cb 0.31 -0.17 0.12 0.00 -1.82 0.00 0.00 70.33 68.76 3hkm n THR 228 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3hkm h THR 229 N 0.00 1.25 -0.17 12.58 1.35 -1.70 -2.77 112.91 123.45 3hkm h THR 229 Ca 0.00 -0.64 -0.21 0.00 -0.55 0.00 0.00 66.41 65.01 3hkm h THR 229 Cb 0.00 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.56 3hkm h THR 229 CO 0.00 0.28 -0.71 -0.07 -0.25 0.00 0.00 175.52 174.77 3hkm h LEU 230 N 1.17 0.86 0.00 3.87 3.38 -1.64 -2.50 115.31 120.45 3hkm h LEU 230 Ca 0.29 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hkm h LEU 230 Cb 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hkm h LEU 230 CO -0.04 1.32 0.00 0.00 0.09 0.00 0.00 178.44 179.81 3hkm n GLN 231 N -3.93 0.37 0.00 1.13 6.02 -1.06 -5.06 117.38 114.85 3hkm n GLN 231 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3hkm n GLN 231 Cb 0.71 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.79 3hkm n GLN 231 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22