#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pky s ASN 3 N 0.00 6.26 0.03 9.51 3.04 -1.26 -4.98 114.94 127.55 2pky s ASN 3 Ca 0.00 1.88 -0.04 0.00 0.04 0.00 0.00 52.86 54.75 2pky s ASN 3 Cb 0.00 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.16 2pky s ASN 3 CO 0.00 -1.32 0.05 0.00 -3.04 0.00 0.00 177.10 172.79 2pky s ALA 4 N 5.50 0.05 0.28 1.71 0.00 -1.26 -1.39 121.76 126.65 2pky s ALA 4 Ca 0.79 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 52.20 2pky s ALA 4 Cb -0.30 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 2pky s ALA 4 CO 0.32 -0.28 -0.12 0.96 0.00 0.00 0.00 175.76 176.64 2pky s ILE 5 N -2.47 2.01 -0.11 0.00 -4.36 -0.05 -4.90 121.20 111.32 2pky s ILE 5 Ca -0.06 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.12 2pky s ILE 5 Cb -0.02 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.34 2pky s ILE 5 CO -0.04 -0.37 -0.19 -0.60 0.24 0.00 0.00 174.94 173.98 2pky s ARG 6 N -3.63 2.54 0.02 0.37 3.52 -1.26 -0.46 118.95 120.06 2pky s ARG 6 Ca 0.29 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 2pky s ARG 6 Cb 0.00 -2.05 -0.07 0.00 -1.56 0.00 0.00 34.95 31.27 2pky s ARG 6 CO 0.13 0.03 1.66 0.99 -0.81 0.00 0.00 175.30 177.29 2pky s THR 7 N 0.72 3.26 0.29 4.11 2.01 -1.26 -4.93 115.64 119.84 2pky s THR 7 Ca -0.11 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 2pky s THR 7 Cb -0.16 -3.37 -0.13 0.00 0.01 0.00 0.00 72.50 68.85 2pky s THR 7 CO 0.02 -0.02 1.28 -2.65 -0.69 0.00 0.00 174.62 172.56 2pky n PRO 8 N 6.20 1.96 -0.16 4.92 -0.02 -1.26 -4.87 135.00 141.76 2pky n PRO 8 Ca 0.16 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.51 2pky n PRO 8 Cb 0.41 -2.26 0.55 0.00 -0.02 0.00 0.00 33.50 32.18 2pky n PRO 8 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2pky h ASP 9 N 3.05 0.30 0.47 2.55 3.32 -2.01 -2.31 116.42 121.79 2pky h ASP 9 Ca -0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2pky h ASP 9 Cb 1.29 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2pky h ASP 9 CO 0.67 0.15 0.00 1.56 -1.72 0.00 0.00 179.24 179.90 2pky h GLN 10 N 0.32 0.00 -0.03 3.56 1.08 -2.01 -1.98 115.11 116.04 2pky h GLN 10 Ca 0.38 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.59 2pky h GLN 10 Cb 1.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2pky h GLN 10 CO -0.11 0.00 0.03 0.00 -0.95 0.00 0.00 178.83 177.81 2pky h ARG 11 N 0.00 0.00 -0.61 1.46 2.47 -1.73 -2.29 114.38 113.68 2pky h ARG 11 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2pky h ARG 11 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2pky h ARG 11 CO 0.00 0.00 0.00 1.19 0.56 0.00 0.00 179.97 181.72 2pky n PHE 12 N -3.93 0.81 -0.23 3.04 3.72 -0.75 -4.60 117.46 115.52 2pky n PHE 12 Ca -0.02 -0.41 -0.04 0.00 -0.05 0.00 0.00 57.45 56.92 2pky n PHE 12 Cb 0.12 -0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.79 2pky n PHE 12 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2pky h SER 13 N 4.35 0.97 -0.96 4.37 4.64 -1.53 -3.23 113.55 122.16 2pky h SER 13 Ca 0.00 -0.15 -0.60 0.00 -0.47 0.00 0.00 61.79 60.57 2pky h SER 13 Cb 0.99 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 62.44 2pky h SER 13 CO 0.00 0.88 -0.28 -3.20 -0.87 0.00 0.00 176.83 173.35 2pky n ASN 14 N -4.29 5.74 -4.77 4.97 5.15 -1.26 -5.03 115.26 115.77 2pky n ASN 14 Ca 0.06 -3.76 -0.40 0.00 -0.60 0.00 0.00 54.58 49.88 2pky n ASN 14 Cb 0.19 -0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 38.86 2pky n ASN 14 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pky s LEU 15 N -3.68 4.42 -0.14 1.20 1.43 -1.22 -5.01 118.68 115.68 2pky s LEU 15 Ca 0.54 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 56.05 2pky s LEU 15 Cb 0.44 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 2pky s LEU 15 CO -0.02 -0.48 0.31 -0.62 0.23 0.00 0.00 176.35 175.77 2pky s ASP 16 N -0.67 6.50 -1.49 2.29 -1.08 -1.26 -4.44 116.67 116.51 2pky s ASP 16 Ca 0.49 0.59 -0.08 0.00 -0.52 0.00 0.00 52.55 53.03 2pky s ASP 16 Cb -0.37 -2.19 0.06 0.00 -1.46 0.00 0.00 42.92 38.96 2pky s ASP 16 CO 0.48 0.14 0.68 0.00 0.52 0.00 0.00 175.17 176.99 2pky n GLN 17 N 3.28 -4.04 -3.30 4.34 10.64 -1.26 -4.90 117.38 122.13 2pky n GLN 17 Ca -0.12 0.48 -0.25 0.00 -1.83 0.00 0.00 57.00 55.27 2pky n GLN 17 Cb 0.52 -4.99 -0.08 0.00 -0.86 0.00 0.00 30.24 24.83 2pky n GLN 17 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2pky n TYR 18 N -4.44 0.94 1.16 2.61 9.36 -1.26 -4.88 117.16 120.65 2pky n TYR 18 Ca -0.13 -3.75 0.01 0.00 3.32 0.00 0.00 57.90 57.35 2pky n TYR 18 Cb 0.60 -0.37 0.04 0.00 -0.63 0.00 0.00 39.34 38.97 2pky n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2pky n PRO 19 N 1.38 1.31 -3.28 2.98 -0.04 -1.26 -4.91 135.00 131.17 2pky n PRO 19 Ca 0.24 -0.29 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 2pky n PRO 19 Cb 0.48 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2pky n PRO 19 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pky s PHE 20 N -1.44 3.50 0.35 0.54 0.08 -1.26 -5.05 117.98 114.69 2pky s PHE 20 Ca 0.05 0.90 -0.26 0.00 0.12 0.00 0.00 56.93 57.74 2pky s PHE 20 Cb 0.04 -2.59 -0.09 0.00 -0.57 0.00 0.00 43.02 39.81 2pky s PHE 20 CO 0.02 0.12 1.06 -1.12 -0.10 0.00 0.00 175.22 175.21 2pky s SER 21 N 0.71 6.98 0.29 1.36 0.01 -1.26 -5.02 113.70 116.78 2pky s SER 21 Ca 0.27 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.36 2pky s SER 21 Cb -0.15 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.38 2pky s SER 21 CO 0.11 -0.33 1.10 -2.16 0.41 0.00 0.00 173.24 172.36 2pky s PRO 22 N -2.04 4.58 0.06 12.44 0.04 -1.26 -4.60 135.00 144.21 2pky s PRO 22 Ca 0.52 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2pky s PRO 22 Cb -0.26 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2pky s PRO 22 CO 0.33 0.16 -0.13 -0.80 0.04 0.00 0.00 177.00 176.59 2pky s ASN 23 N -0.94 1.58 0.02 6.66 0.01 -0.96 -5.02 114.94 116.28 2pky s ASN 23 Ca 0.46 -0.56 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 2pky s ASN 23 Cb -0.31 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 2pky s ASN 23 CO 0.40 -0.06 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.52 2pky s TYR 24 N -1.16 0.94 -0.09 2.20 2.02 -1.26 -0.74 117.35 119.26 2pky s TYR 24 Ca -0.02 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2pky s TYR 24 Cb -0.09 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2pky s TYR 24 CO 0.02 -0.01 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.35 2pky s LEU 25 N -0.82 2.73 0.27 -1.29 1.43 0.41 -4.95 118.68 116.46 2pky s LEU 25 Ca 0.00 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2pky s LEU 25 Cb -0.06 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 2pky s LEU 25 CO 0.00 0.25 -0.13 -1.81 0.23 0.00 0.00 176.35 174.90 2pky s ASP 26 N -0.18 3.95 -1.49 2.29 1.01 -1.26 -1.34 116.67 119.64 2pky s ASP 26 Ca -0.00 -0.88 -0.05 0.00 0.71 0.00 0.00 52.55 52.33 2pky s ASP 26 Cb -0.13 -0.51 0.04 0.00 1.01 0.00 0.00 42.92 43.33 2pky s ASP 26 CO 0.03 0.03 0.49 -0.67 0.21 0.00 0.00 175.17 175.26 2pky n ASP 27 N -0.71 -1.06 -4.77 0.27 2.03 -1.26 -4.95 116.55 106.10 2pky n ASP 27 Ca -0.06 -1.02 -0.40 0.00 0.52 0.00 0.00 54.79 53.83 2pky n ASP 27 Cb 0.60 -2.89 -0.02 0.00 -0.72 0.00 0.00 41.12 38.09 2pky n ASP 27 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pky s LEU 28 N -7.08 4.35 0.06 -2.67 1.43 -1.26 -4.94 118.68 108.57 2pky s LEU 28 Ca 0.20 2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 55.54 2pky s LEU 28 Cb -0.11 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.25 2pky s LEU 28 CO 0.91 -0.57 1.73 -2.16 0.23 0.00 0.00 176.35 176.49 2pky s PRO 29 N -1.94 4.18 0.00 1.29 0.04 -1.26 -1.12 135.00 136.19 2pky s PRO 29 Ca 0.52 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.96 2pky s PRO 29 Cb -0.36 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2pky s PRO 29 CO 0.47 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2pky n GLY 30 N 4.13 0.66 2.57 0.56 0.00 -1.26 -4.95 105.19 106.90 2pky n GLY 30 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2pky n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pky n TYR 31 N -2.00 2.43 -1.79 1.61 4.01 -0.27 -5.10 117.16 116.05 2pky n TYR 31 Ca 0.00 -3.25 -0.42 0.00 -0.16 0.00 0.00 57.90 54.08 2pky n TYR 31 Cb 0.00 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 38.73 2pky n TYR 31 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2pky s PRO 32 N -3.27 4.14 0.00 -0.72 0.04 -1.26 -2.47 135.00 131.46 2pky s PRO 32 Ca 0.41 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2pky s PRO 32 Cb 0.39 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2pky s PRO 32 CO -0.10 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2pky n GLY 33 N 2.63 1.94 3.75 0.56 0.00 -1.26 -4.76 105.19 108.05 2pky n GLY 33 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2pky n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pky s LEU 34 N 0.00 4.21 -0.19 0.99 1.43 -1.03 -5.06 118.68 119.03 2pky s LEU 34 Ca 0.00 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2pky s LEU 34 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2pky s LEU 34 CO 0.00 0.22 0.06 -0.60 0.23 0.00 0.00 176.35 176.26 2pky s ARG 35 N 0.10 3.92 -0.10 1.70 3.52 -1.26 -4.26 118.95 122.57 2pky s ARG 35 Ca 0.09 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.29 2pky s ARG 35 Cb -0.11 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2pky s ARG 35 CO -0.01 0.22 0.03 0.00 -0.81 0.00 0.00 175.30 174.73 2pky s ALA 36 N 0.51 3.41 -0.07 6.12 0.00 -0.45 -1.05 121.76 130.22 2pky s ALA 36 Ca 0.03 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2pky s ALA 36 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2pky s ALA 36 CO 0.01 0.57 0.23 -1.58 0.00 0.00 0.00 175.76 174.99 2pky s HIS 37 N -0.83 3.64 -0.01 0.00 2.46 -1.26 -0.45 115.29 118.84 2pky s HIS 37 Ca 0.13 0.67 -0.10 0.00 0.47 0.00 0.00 55.06 56.23 2pky s HIS 37 Cb -0.12 -2.05 0.01 0.00 -0.13 0.00 0.00 32.58 30.30 2pky s HIS 37 CO 0.03 0.70 0.20 1.52 -2.47 0.00 0.00 174.74 174.72 2pky s TYR 38 N -1.07 -0.05 0.25 3.88 1.13 0.08 -1.28 117.35 120.28 2pky s TYR 38 Ca 0.19 0.05 -0.16 0.00 -1.41 0.00 0.00 57.07 55.74 2pky s TYR 38 Cb -0.14 0.01 -0.08 0.00 -1.10 0.00 0.00 41.96 40.65 2pky s TYR 38 CO 0.08 -0.31 0.68 -0.51 -2.51 0.00 0.00 175.55 172.97 2pky s LEU 39 N -1.26 4.22 -0.31 -3.49 1.43 -0.04 -2.27 118.68 116.96 2pky s LEU 39 Ca -0.13 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2pky s LEU 39 Cb -0.06 -3.73 0.13 0.00 0.03 0.00 0.00 46.19 42.55 2pky s LEU 39 CO 0.02 -0.06 0.24 -0.62 0.23 0.00 0.00 176.35 176.16 2pky s ASP 40 N -1.98 2.42 0.37 2.29 -1.08 -1.25 -1.66 116.67 115.78 2pky s ASP 40 Ca 0.47 -1.22 0.08 0.00 -0.52 0.00 0.00 52.55 51.35 2pky s ASP 40 Cb -0.13 0.11 -0.07 0.00 -1.46 0.00 0.00 42.92 41.36 2pky s ASP 40 CO 0.19 -0.38 -0.03 -1.61 0.52 0.00 0.00 175.17 173.87 2pky s GLU 41 N 2.00 1.86 0.52 4.34 0.41 0.01 -4.95 118.70 122.89 2pky s GLU 41 Ca 0.11 -2.02 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 2pky s GLU 41 Cb -0.16 -1.57 0.00 0.00 -1.78 0.00 0.00 34.13 30.62 2pky s GLU 41 CO -0.27 0.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 2pky n GLY 42 N -0.87 -2.06 3.62 -1.39 0.00 -1.26 -0.83 105.19 102.41 2pky n GLY 42 Ca -0.05 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2pky n GLY 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pky s ASN 43 N -3.47 5.92 0.58 1.61 2.47 -1.24 -4.85 114.94 115.96 2pky s ASN 43 Ca 0.00 2.11 0.32 0.00 0.42 0.00 0.00 52.86 55.70 2pky s ASN 43 Cb 0.00 -2.52 1.77 0.00 -1.45 0.00 0.00 41.25 39.05 2pky s ASN 43 CO 0.00 -1.55 2.20 0.77 -3.72 0.00 0.00 177.10 174.79 2pky h SER 44 N 12.92 0.00 -0.64 -4.21 4.64 -1.92 -1.33 113.55 123.01 2pky h SER 44 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2pky h SER 44 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2pky h SER 44 CO 0.96 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 177.44 2pky n ASP 45 N -3.61 3.51 -4.62 4.97 8.00 -1.26 -5.00 116.55 118.55 2pky n ASP 45 Ca -0.02 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 2pky n ASP 45 Cb 0.15 -0.43 0.12 0.00 -0.02 0.00 0.00 41.12 40.94 2pky n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pky n ALA 46 N 1.43 -0.57 0.09 2.24 0.00 -0.50 -4.97 120.51 118.23 2pky n ALA 46 Ca 0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2pky n ALA 46 Cb 0.56 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2pky n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2pky h GLU 47 N -0.89 -0.24 -6.91 0.00 9.09 -1.90 -3.46 114.58 110.28 2pky h GLU 47 Ca -0.46 0.02 -0.48 0.00 0.05 0.00 0.00 59.36 58.49 2pky h GLU 47 Cb 1.31 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2pky h GLU 47 CO 0.44 -0.16 0.39 -0.51 0.05 0.00 0.00 179.01 179.22 2pky s ASP 48 N -3.02 7.07 -0.10 3.06 1.01 -1.26 -4.72 116.67 118.71 2pky s ASP 48 Ca -0.04 1.99 0.02 0.00 0.71 0.00 0.00 52.55 55.24 2pky s ASP 48 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2pky s ASP 48 CO 0.11 -0.27 -0.16 0.54 0.21 0.00 0.00 175.17 175.60 2pky s VAL 49 N -1.56 1.54 -0.37 -1.27 0.11 -0.97 -1.44 120.40 116.43 2pky s VAL 49 Ca 0.53 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.69 2pky s VAL 49 Cb -0.22 -1.38 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2pky s VAL 49 CO 0.28 0.45 0.57 -0.36 -3.33 0.00 0.00 175.10 172.71 2pky s PHE 50 N 0.76 3.15 -0.44 1.54 0.40 0.25 -0.26 117.98 123.38 2pky s PHE 50 Ca -0.11 0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 2pky s PHE 50 Cb -0.16 -3.08 0.05 0.00 0.51 0.00 0.00 43.02 40.34 2pky s PHE 50 CO 0.02 -0.65 0.35 -1.17 0.70 0.00 0.00 175.22 174.48 2pky s LEU 51 N 2.57 5.40 -0.33 -0.37 2.96 0.25 -0.67 118.68 128.49 2pky s LEU 51 Ca 0.21 -1.14 -0.11 0.00 -0.22 0.00 0.00 54.13 52.88 2pky s LEU 51 Cb -0.15 -2.17 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 2pky s LEU 51 CO 0.15 -0.56 0.18 0.00 -1.32 0.00 0.00 176.35 174.80 2pky s LEU 53 N 1.63 3.06 0.79 0.00 1.43 -0.45 -3.94 118.68 121.20 2pky s LEU 53 Ca 0.04 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2pky s LEU 53 Cb -0.17 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.38 2pky s LEU 53 CO 0.07 0.01 1.11 -1.38 0.23 0.00 0.00 176.35 176.40 2pky s HIS 54 N 1.31 2.29 0.00 0.29 -3.43 -1.26 -3.86 115.29 110.63 2pky s HIS 54 Ca 0.04 0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 2pky s HIS 54 Cb -0.14 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.55 2pky s HIS 54 CO -0.00 -1.86 0.00 0.41 -2.00 0.00 0.00 174.74 171.29 2pky n GLY 55 N -3.18 5.26 3.81 -1.38 0.00 -1.26 -1.93 105.19 106.51 2pky n GLY 55 Ca 0.11 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2pky n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pky s GLU 56 N 2.27 4.23 -0.93 1.61 2.56 -1.26 -1.35 118.70 125.83 2pky s GLU 56 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 54.97 55.75 2pky s GLU 56 Cb 0.00 -3.17 0.33 0.00 2.00 0.00 0.00 34.13 33.29 2pky s GLU 56 CO 0.00 0.59 1.66 -0.35 -0.56 0.00 0.00 175.26 176.60 2pky n PRO 57 N 1.49 4.91 0.00 4.30 -0.04 -1.26 -4.94 135.00 139.47 2pky n PRO 57 Ca -0.08 -4.67 0.00 0.00 -0.04 0.00 0.00 63.50 58.71 2pky n PRO 57 Cb 0.51 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2pky n PRO 57 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pky n THR 58 N -0.12 0.00 -3.23 0.52 -2.24 -0.46 -5.01 114.28 103.74 2pky n THR 58 Ca 0.44 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.21 2pky n THR 58 Cb 0.29 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2pky n THR 58 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2pky n TRP 59 N 0.00 -1.02 0.26 4.78 4.27 -1.26 -4.39 117.44 120.07 2pky n TRP 59 Ca 0.00 -0.23 0.18 0.00 -3.89 0.00 0.00 57.50 53.56 2pky n TRP 59 Cb 0.00 0.11 0.87 0.00 -1.36 0.00 0.00 31.31 30.93 2pky n TRP 59 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2pky h SER 60 N 0.27 0.00 -1.11 -0.67 4.64 -1.87 0.11 113.55 114.92 2pky h SER 60 Ca -0.04 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.59 2pky h SER 60 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 2pky h SER 60 CO 0.06 0.00 0.78 0.22 -0.87 0.00 0.00 176.83 177.01 2pky h TYR 61 N 0.00 0.17 0.00 4.77 3.20 -1.96 -0.05 116.97 123.10 2pky h TYR 61 Ca 0.06 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2pky h TYR 61 Cb 0.60 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2pky h TYR 61 CO 0.00 0.01 -0.00 1.25 -1.64 0.00 0.00 178.16 177.78 2pky h LEU 62 N 0.10 0.00 -2.56 2.82 5.85 -1.18 -1.95 115.31 118.38 2pky h LEU 62 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2pky h LEU 62 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 2pky h LEU 62 CO -0.08 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.80 2pky n TYR 63 N -3.49 0.66 -0.16 1.25 4.01 -0.03 -4.62 117.16 114.78 2pky n TYR 63 Ca -0.03 -0.39 0.25 0.00 -0.16 0.00 0.00 57.90 57.57 2pky n TYR 63 Cb 0.08 -0.01 0.67 0.00 -0.31 0.00 0.00 39.34 39.77 2pky n TYR 63 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2pky h ARG 64 N 3.82 0.08 0.00 -0.72 0.11 -1.43 -0.19 114.38 116.05 2pky h ARG 64 Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 2pky h ARG 64 Cb 0.91 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.97 2pky h ARG 64 CO 0.00 0.05 -0.87 0.87 0.10 0.00 0.00 179.97 180.13 2pky h LYS 65 N 0.08 0.00 0.12 0.08 1.57 -1.84 -3.38 116.57 113.21 2pky h LYS 65 Ca 0.40 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.82 2pky h LYS 65 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 2pky h LYS 65 CO -0.04 0.08 -1.98 -1.33 -0.57 0.00 0.00 179.45 175.61 2pky n MET 66 N -2.82 0.76 -0.17 3.15 2.81 -0.32 -4.21 117.12 116.32 2pky n MET 66 Ca -0.01 0.27 -0.02 0.00 -1.81 0.00 0.00 57.70 56.13 2pky n MET 66 Cb 0.61 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.45 2pky n MET 66 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2pky h ILE 67 N 0.05 0.52 -0.23 2.02 2.04 -1.27 -1.38 117.51 119.26 2pky h ILE 67 Ca -0.42 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2pky h ILE 67 Cb 2.02 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2pky h ILE 67 CO 0.08 0.01 0.02 -0.65 0.00 0.00 0.00 178.15 177.62 2pky h PRO 68 N 0.04 0.32 0.08 2.37 0.11 -1.77 0.97 132.00 134.13 2pky h PRO 68 Ca 0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 2pky h PRO 68 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2pky h PRO 68 CO -0.50 0.33 -0.04 0.28 -0.21 0.00 0.00 178.00 177.86 2pky h VAL 69 N 0.32 1.08 -0.58 3.15 2.07 -1.53 -0.28 116.25 120.49 2pky h VAL 69 Ca 0.08 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2pky h VAL 69 Cb 0.18 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2pky h VAL 69 CO 0.00 0.14 0.33 -0.26 0.02 0.00 0.00 177.57 177.80 2pky h PHE 70 N -0.37 0.78 -0.64 1.57 0.04 -0.94 -2.69 116.94 114.69 2pky h PHE 70 Ca -0.01 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.77 2pky h PHE 70 Cb 0.32 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 2pky h PHE 70 CO 0.01 0.55 0.40 0.00 -0.60 0.00 0.00 178.31 178.67 2pky h ALA 71 N 1.16 0.83 0.00 2.45 0.00 -0.76 -2.70 119.26 120.24 2pky h ALA 71 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pky h ALA 71 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2pky h ALA 71 CO -0.04 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.30 2pky h GLU 72 N 0.79 0.00 0.00 0.00 4.39 -0.75 -1.07 114.58 117.94 2pky h GLU 72 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2pky h GLU 72 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2pky h GLU 72 CO -0.10 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.62 2pky n SER 73 N -3.02 0.00 0.00 1.42 3.41 -1.02 -4.88 113.62 109.52 2pky n SER 73 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2pky n SER 73 Cb 0.27 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2pky n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pky n GLY 74 N 0.90 0.97 3.97 5.00 0.00 -0.40 -5.10 105.19 110.52 2pky n GLY 74 Ca 0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2pky n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pky s ALA 75 N -2.00 3.98 0.29 4.61 0.00 -1.19 -4.65 121.76 122.80 2pky s ALA 75 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 2pky s ALA 75 Cb 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 21.25 2pky s ALA 75 CO 0.00 0.09 0.66 0.50 0.00 0.00 0.00 175.76 177.01 2pky s ARG 76 N -4.11 3.92 -0.07 0.00 3.52 -0.52 -3.65 118.95 118.03 2pky s ARG 76 Ca 0.39 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.50 2pky s ARG 76 Cb -0.09 -2.52 0.02 0.00 -1.56 0.00 0.00 34.95 30.80 2pky s ARG 76 CO 0.31 0.22 -0.07 0.08 -0.81 0.00 0.00 175.30 175.03 2pky s VAL 77 N -1.92 0.76 -0.12 7.11 1.01 -0.01 -0.58 120.40 126.65 2pky s VAL 77 Ca 0.51 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2pky s VAL 77 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2pky s VAL 77 CO 0.19 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 174.73 2pky s ILE 78 N 1.13 2.21 -0.32 2.22 -1.09 0.16 -0.81 121.20 124.70 2pky s ILE 78 Ca -0.07 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.38 2pky s ILE 78 Cb -0.14 -1.87 0.11 0.00 -1.58 0.00 0.00 42.46 38.99 2pky s ILE 78 CO -0.01 0.55 0.15 0.00 -1.23 0.00 0.00 174.94 174.40 2pky s ALA 79 N 0.48 1.03 0.33 9.38 0.00 -0.66 -0.89 121.76 131.43 2pky s ALA 79 Ca -0.14 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.09 2pky s ALA 79 Cb -0.17 -1.54 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 2pky s ALA 79 CO 0.06 -1.81 0.79 -1.25 0.00 0.00 0.00 175.76 173.55 2pky s PRO 80 N 1.58 4.13 -0.17 0.00 0.04 -1.25 -0.86 135.00 138.47 2pky s PRO 80 Ca 0.12 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2pky s PRO 80 Cb -0.19 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2pky s PRO 80 CO -0.21 0.16 0.33 -0.51 0.04 0.00 0.00 177.00 176.81 2pky s ASP 81 N -2.11 6.45 0.63 6.66 1.01 -0.41 -4.51 116.67 124.39 2pky s ASP 81 Ca 0.54 0.53 -0.19 0.00 0.71 0.00 0.00 52.55 54.14 2pky s ASP 81 Cb -0.12 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2pky s ASP 81 CO 0.17 0.04 1.27 0.49 0.21 0.00 0.00 175.17 177.36 2pky n PHE 82 N 3.83 1.87 -1.72 4.23 3.72 -1.26 -4.47 117.46 123.66 2pky n PHE 82 Ca -0.11 0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 2pky n PHE 82 Cb 0.52 -2.27 -0.02 0.00 -0.94 0.00 0.00 39.48 36.77 2pky n PHE 82 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2pky n PHE 83 N -1.75 2.57 -0.03 1.38 3.72 -1.26 -1.45 117.46 120.63 2pky n PHE 83 Ca 0.15 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 2pky n PHE 83 Cb 0.47 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.49 2pky n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pky n GLY 84 N 1.88 0.33 3.13 1.37 0.00 -0.01 -4.91 105.19 106.98 2pky n GLY 84 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2pky n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pky s PHE 85 N -2.10 0.73 0.00 1.61 0.40 -0.53 -4.55 117.98 113.54 2pky s PHE 85 Ca 0.00 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 2pky s PHE 85 Cb 0.00 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 43.07 2pky s PHE 85 CO 0.00 -0.35 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2pky n GLY 86 N 0.01 3.27 1.21 4.36 0.00 -1.26 -1.39 105.19 111.40 2pky n GLY 86 Ca -0.11 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2pky n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pky n LYS 87 N 14.00 2.57 -1.98 1.61 5.02 -1.26 -4.67 118.16 133.46 2pky n LYS 87 Ca 0.00 -2.39 -0.32 0.00 -2.02 0.00 0.00 58.31 53.58 2pky n LYS 87 Cb 0.00 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 2pky n LYS 87 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pky s SER 88 N -1.38 6.04 0.88 4.39 0.01 -0.48 -4.40 113.70 118.76 2pky s SER 88 Ca 0.41 1.59 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 2pky s SER 88 Cb 0.24 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 64.09 2pky s SER 88 CO 0.32 -0.99 1.15 -1.81 0.41 0.00 0.00 173.24 172.32 2pky s ASP 89 N -3.50 3.19 -0.34 2.44 1.01 -0.22 -4.45 116.67 114.80 2pky s ASP 89 Ca 0.59 2.18 -0.01 0.00 0.71 0.00 0.00 52.55 56.02 2pky s ASP 89 Cb -0.12 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.35 2pky s ASP 89 CO 0.44 -2.93 0.15 -0.54 0.21 0.00 0.00 175.17 172.51 2pky s LYS 90 N -4.60 0.73 0.23 8.23 1.02 0.40 -0.83 119.74 124.92 2pky s LYS 90 Ca 0.67 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2pky s LYS 90 Cb -0.23 -1.83 -0.15 0.00 -0.52 0.00 0.00 37.83 35.10 2pky s LYS 90 CO 0.57 -1.06 0.96 -2.30 -0.92 0.00 0.00 175.35 172.59 2pky n PRO 91 N 4.51 1.01 0.10 -1.68 -0.02 -1.26 -0.87 135.00 136.79 2pky n PRO 91 Ca 0.02 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2pky n PRO 91 Cb 0.40 -1.70 0.10 0.00 -0.02 0.00 0.00 33.50 32.28 2pky n PRO 91 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2pky h VAL 92 N 2.01 0.00 -3.49 -1.45 -1.51 -1.51 -3.41 116.25 106.89 2pky h VAL 92 Ca -0.39 -0.80 -0.62 0.00 -1.23 0.00 0.00 66.70 63.66 2pky h VAL 92 Cb 1.36 1.41 -0.16 0.00 -2.13 0.00 0.00 31.29 31.77 2pky h VAL 92 CO 0.63 0.00 -0.54 -1.81 -1.23 0.00 0.00 177.57 174.61 2pky s ASP 93 N -5.04 5.78 0.49 4.19 1.01 -1.26 -4.70 116.67 117.14 2pky s ASP 93 Ca 0.03 0.05 0.17 0.00 0.71 0.00 0.00 52.55 53.51 2pky s ASP 93 Cb 0.10 -2.03 1.19 0.00 1.01 0.00 0.00 42.92 43.20 2pky s ASP 93 CO 0.74 0.09 2.06 -0.33 0.21 0.00 0.00 175.17 177.94 2pky h GLU 94 N 7.34 0.16 0.00 8.23 5.08 -1.88 -1.55 114.58 131.95 2pky h GLU 94 Ca -0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2pky h GLU 94 Cb 1.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2pky h GLU 94 CO 0.66 0.11 0.00 1.05 -1.00 0.00 0.00 179.01 179.82 2pky h GLU 95 N 0.16 0.00 0.00 2.33 4.11 -1.94 -1.58 114.58 117.67 2pky h GLU 95 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2pky h GLU 95 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2pky h GLU 95 CO -0.02 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 178.62 2pky h ASP 96 N 0.00 0.00 -3.47 3.06 3.32 -1.70 -3.43 116.42 114.20 2pky h ASP 96 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2pky h ASP 96 Cb 0.30 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 2pky h ASP 96 CO 0.00 0.00 0.13 -0.31 -1.72 0.00 0.00 179.24 177.34 2pky s TYR 97 N -3.37 3.30 0.16 4.55 1.51 -0.60 -4.86 117.35 118.06 2pky s TYR 97 Ca 0.05 0.83 -0.05 0.00 -1.01 0.00 0.00 57.07 56.89 2pky s TYR 97 Cb 0.08 -2.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 2pky s TYR 97 CO 0.59 -0.28 0.19 0.95 -1.11 0.00 0.00 175.55 175.89 2pky s THR 98 N 2.33 0.07 0.17 -0.71 -4.23 -1.26 -5.01 115.64 106.99 2pky s THR 98 Ca 0.26 -1.67 -0.17 0.00 -1.18 0.00 0.00 61.69 58.93 2pky s THR 98 Cb -0.16 -2.04 0.11 0.00 1.34 0.00 0.00 72.50 71.75 2pky s THR 98 CO 0.09 -0.30 1.66 0.15 -0.54 0.00 0.00 174.62 175.68 2pky h PHE 99 N 2.65 -0.24 -0.66 3.99 3.57 -1.99 -1.74 116.94 122.53 2pky h PHE 99 Ca -0.33 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 2pky h PHE 99 Cb 1.22 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 2pky h PHE 99 CO 0.40 -0.19 0.07 0.93 -2.23 0.00 0.00 178.31 177.30 2pky h GLU 100 N -0.01 1.11 -0.42 1.11 5.08 -1.96 0.11 114.58 119.60 2pky h GLU 100 Ca 0.20 -0.32 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2pky h GLU 100 Cb 0.32 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2pky h GLU 100 CO -0.44 1.04 -0.07 0.35 -1.00 0.00 0.00 179.01 178.89 2pky h PHE 101 N 1.03 -0.16 -0.09 4.33 3.57 -1.71 0.93 116.94 124.84 2pky h PHE 101 Ca 0.19 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.49 2pky h PHE 101 Cb 0.49 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.38 2pky h PHE 101 CO 0.04 -0.15 -0.89 0.45 -2.23 0.00 0.00 178.31 175.52 2pky h HIS 102 N 0.03 1.05 0.05 0.41 3.86 -0.99 -3.02 115.15 116.55 2pky h HIS 102 Ca 0.20 -0.51 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2pky h HIS 102 Cb 0.31 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2pky h HIS 102 CO -0.34 1.34 -0.02 -0.09 0.86 0.00 0.00 177.93 179.68 2pky h ARG 103 N 0.48 -0.06 0.00 2.45 2.43 -0.68 -2.75 114.38 116.25 2pky h ARG 103 Ca -0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2pky h ARG 103 Cb 1.53 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2pky h ARG 103 CO 0.18 0.19 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.79 2pky h ASN 104 N -0.32 0.00 -0.36 -3.80 2.35 -0.93 -1.11 115.58 111.42 2pky h ASN 104 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2pky h ASN 104 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2pky h ASN 104 CO 0.01 0.13 0.22 0.15 -1.65 0.00 0.00 177.43 176.30 2pky h PHE 105 N 0.00 0.47 -0.36 1.19 3.57 -1.38 0.25 116.94 120.67 2pky h PHE 105 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2pky h PHE 105 Cb 0.24 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2pky h PHE 105 CO 0.00 0.33 0.12 -0.07 -2.23 0.00 0.00 178.31 176.46 2pky h LEU 106 N 0.47 0.52 -0.53 0.59 3.38 -0.95 -0.41 115.31 118.39 2pky h LEU 106 Ca 0.13 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2pky h LEU 106 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2pky h LEU 106 CO -0.03 0.58 0.35 -0.07 0.09 0.00 0.00 178.44 179.36 2pky h LEU 107 N 0.44 0.60 -0.98 1.67 3.38 -1.13 -0.95 115.31 118.34 2pky h LEU 107 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2pky h LEU 107 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2pky h LEU 107 CO -0.00 0.43 0.35 0.00 0.09 0.00 0.00 178.44 179.30 2pky h ALA 108 N 1.20 1.20 -0.40 1.53 0.00 -0.60 -1.56 119.26 120.63 2pky h ALA 108 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pky h ALA 108 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2pky h ALA 108 CO -0.05 0.60 -0.07 1.25 0.00 0.00 0.00 179.25 180.99 2pky h LEU 109 N 1.07 0.75 -0.25 0.00 6.46 -0.63 0.23 115.31 122.94 2pky h LEU 109 Ca 0.26 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2pky h LEU 109 Cb 0.13 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2pky h LEU 109 CO -0.03 0.92 0.16 0.40 -0.62 0.00 0.00 178.44 179.28 2pky h ILE 110 N 0.57 1.07 -0.42 4.05 2.04 -0.90 -1.77 117.51 122.14 2pky h ILE 110 Ca 0.10 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2pky h ILE 110 Cb 0.58 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2pky h ILE 110 CO 0.03 0.07 0.15 -0.33 0.00 0.00 0.00 178.15 178.07 2pky h GLU 111 N 0.33 0.65 -0.82 2.37 4.39 -1.19 0.13 114.58 120.44 2pky h GLU 111 Ca 0.09 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2pky h GLU 111 Cb -0.03 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2pky h GLU 111 CO -0.02 0.62 0.38 -0.09 -1.16 0.00 0.00 179.01 178.75 2pky h ARG 112 N 0.54 1.18 -0.00 2.33 9.65 -0.80 -1.94 114.38 125.34 2pky h ARG 112 Ca 0.14 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2pky h ARG 112 Cb 0.23 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2pky h ARG 112 CO -0.01 0.92 -0.29 1.28 2.80 0.00 0.00 179.97 184.67 2pky n LEU 113 N -4.33 0.58 -3.68 3.80 4.77 -0.68 -4.96 117.00 112.51 2pky n LEU 113 Ca 0.08 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 2pky n LEU 113 Cb 0.15 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2pky n LEU 113 CO 0.40 0.12 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.83 2pky n ASP 114 N -1.14 -2.70 -4.71 -1.43 2.03 0.35 -4.90 116.55 104.05 2pky n ASP 114 Ca 0.10 -0.88 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 2pky n ASP 114 Cb 0.33 -3.87 -0.03 0.00 -0.72 0.00 0.00 41.12 36.83 2pky n ASP 114 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pky s LEU 115 N -6.52 4.37 0.28 -2.67 1.43 -0.61 -5.03 118.68 109.93 2pky s LEU 115 Ca 0.17 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2pky s LEU 115 Cb -0.05 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2pky s LEU 115 CO 0.83 -0.40 0.09 -0.13 0.23 0.00 0.00 176.35 176.97 2pky s ARG 116 N 1.03 1.50 -1.42 1.70 0.52 -1.26 -4.86 118.95 116.16 2pky s ARG 116 Ca 0.56 -1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 53.93 2pky s ARG 116 Cb -0.27 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 34.80 2pky s ARG 116 CO 0.29 -0.28 0.53 0.09 0.02 0.00 0.00 175.30 175.95 2pky n ASN 117 N -0.57 -0.96 -4.72 0.23 3.02 -0.95 -4.22 115.26 107.08 2pky n ASN 117 Ca -0.01 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 2pky n ASN 117 Cb 0.66 -3.24 -0.04 0.00 -0.61 0.00 0.00 39.78 36.55 2pky n ASN 117 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pky s ILE 118 N -3.82 4.79 -0.38 2.41 1.01 0.18 -2.28 121.20 123.11 2pky s ILE 118 Ca 0.11 1.87 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 2pky s ILE 118 Cb -0.06 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2pky s ILE 118 CO 0.88 0.25 0.27 -0.89 0.00 0.00 0.00 174.94 175.44 2pky s THR 119 N 0.54 5.15 -0.12 2.92 2.01 0.65 -0.42 115.64 126.36 2pky s THR 119 Ca 0.46 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 2pky s THR 119 Cb -0.21 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2pky s THR 119 CO 0.26 -0.20 0.78 -0.22 -0.69 0.00 0.00 174.62 174.54 2pky s LEU 120 N 1.67 4.24 -0.17 4.42 2.96 -0.20 -0.58 118.68 131.03 2pky s LEU 120 Ca 0.05 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2pky s LEU 120 Cb -0.19 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.34 2pky s LEU 120 CO 0.10 -0.27 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.97 2pky s VAL 121 N 1.54 1.95 0.04 1.68 1.01 0.12 0.37 120.40 127.11 2pky s VAL 121 Ca 0.38 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2pky s VAL 121 Cb -0.17 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2pky s VAL 121 CO 0.16 0.52 -0.04 0.68 0.00 0.00 0.00 175.10 176.42 2pky s VAL 122 N 1.28 0.22 -0.20 2.92 -7.23 -0.59 -1.34 120.40 115.46 2pky s VAL 122 Ca 0.04 -1.33 -0.27 0.00 -1.81 0.00 0.00 61.98 58.61 2pky s VAL 122 Cb -0.13 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 36.03 2pky s VAL 122 CO -0.11 -0.70 0.70 -1.58 -0.31 0.00 0.00 175.10 173.10 2pky s GLN 123 N -2.54 0.90 3.70 4.82 -0.44 -1.25 -1.23 119.66 123.62 2pky s GLN 123 Ca -0.05 0.76 0.00 0.00 -2.50 0.00 0.00 55.36 53.57 2pky s GLN 123 Cb -0.02 0.44 0.00 0.00 -1.64 0.00 0.00 33.01 31.78 2pky s GLN 123 CO -0.05 -0.17 0.00 -3.47 0.50 0.00 0.00 175.29 172.10 2pky n ASP 124 N 2.13 0.00 0.08 6.67 2.03 0.27 -0.77 116.55 126.95 2pky n ASP 124 Ca -0.16 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.34 2pky n ASP 124 Cb 0.56 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.69 2pky n ASP 124 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2pky h TRP 125 N 0.00 0.00 -1.00 -0.67 4.06 -1.90 0.54 115.95 116.98 2pky h TRP 125 Ca 0.00 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.11 2pky h TRP 125 Cb 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.07 2pky h TRP 125 CO 0.00 0.00 0.62 0.78 -3.56 0.00 0.00 178.44 176.28 2pky h GLY 126 N 0.00 1.67 0.64 1.49 0.00 -0.26 -1.02 103.07 105.59 2pky h GLY 126 Ca 0.19 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.94 2pky h GLY 126 CO -0.00 0.05 -0.89 -1.33 0.00 0.00 0.00 176.54 174.37 2pky h GLY 127 N 0.85 0.32 0.69 4.60 0.00 0.37 0.11 103.07 110.01 2pky h GLY 127 Ca 0.53 -0.82 0.10 0.00 0.00 0.00 0.00 47.33 47.14 2pky h GLY 127 CO -0.31 0.72 0.59 0.74 0.00 0.00 0.00 176.54 178.27 2pky h PHE 128 N -0.39 0.99 0.00 5.60 0.04 -0.92 0.96 116.94 123.22 2pky h PHE 128 Ca -0.17 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.50 2pky h PHE 128 Cb 1.64 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.45 2pky h PHE 128 CO 0.19 0.45 -0.78 -0.07 -0.60 0.00 0.00 178.31 177.50 2pky h LEU 129 N 0.91 0.00 -1.12 1.54 3.38 -1.33 -3.40 115.31 115.30 2pky h LEU 129 Ca 0.43 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.96 2pky h LEU 129 Cb 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2pky h LEU 129 CO -0.19 1.22 0.60 1.23 0.09 0.00 0.00 178.44 181.40 2pky h GLY 130 N -1.00 1.43 2.00 0.83 0.00 -0.62 -0.91 103.07 104.80 2pky h GLY 130 Ca -0.20 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2pky h GLY 130 CO -0.12 0.20 0.00 1.41 0.00 0.00 0.00 176.54 178.03 2pky h LEU 131 N 0.94 0.00 -1.48 3.11 3.38 -0.99 -1.99 115.31 118.28 2pky h LEU 131 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2pky h LEU 131 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2pky h LEU 131 CO -0.21 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.67 2pky n THR 132 N -2.36 0.12 -0.01 0.22 -2.24 -0.35 -4.47 114.28 105.20 2pky n THR 132 Ca 0.00 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 2pky n THR 132 Cb 0.16 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 2pky n THR 132 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2pky h LEU 133 N 3.35 0.30 -1.69 3.22 3.38 -1.42 -3.38 115.31 119.06 2pky h LEU 133 Ca 0.00 -0.87 0.10 0.00 0.09 0.00 0.00 57.88 57.20 2pky h LEU 133 Cb 0.72 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2pky h LEU 133 CO 0.00 1.41 0.39 -0.65 0.09 0.00 0.00 178.44 179.69 2pky h PRO 134 N -0.54 0.34 0.00 1.13 0.11 -1.78 -1.13 132.00 130.13 2pky h PRO 134 Ca -0.20 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 2pky h PRO 134 Cb 1.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.56 2pky h PRO 134 CO 0.05 0.22 -0.08 0.00 -0.21 0.00 0.00 178.00 177.98 2pky h MET 135 N 0.35 0.00 0.00 1.05 -0.00 -1.87 -0.24 114.93 114.22 2pky h MET 135 Ca 0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.88 2pky h MET 135 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.19 2pky h MET 135 CO -0.07 0.08 -0.43 0.00 -0.00 0.00 0.00 176.91 176.49 2pky h ALA 136 N 1.92 0.86 -0.44 -3.00 0.00 -1.41 -3.39 119.26 113.80 2pky h ALA 136 Ca -0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 2pky h ALA 136 Cb 0.34 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.90 2pky h ALA 136 CO 0.01 0.54 -0.52 -3.47 0.00 0.00 0.00 179.25 175.81 2pky n ASP 137 N -3.41 -2.96 0.24 0.00 -0.08 -0.78 -5.04 116.55 104.52 2pky n ASP 137 Ca 0.01 -3.14 0.08 0.00 -1.51 0.00 0.00 54.79 50.22 2pky n ASP 137 Cb 0.59 1.69 0.61 0.00 2.34 0.00 0.00 41.12 46.36 2pky n ASP 137 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2pky h PRO 138 N 4.36 0.00 0.00 -0.67 0.11 -1.28 -2.70 132.00 131.82 2pky h PRO 138 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2pky h PRO 138 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pky h PRO 138 CO 0.23 0.12 0.00 0.66 -0.21 0.00 0.00 178.00 178.80 2pky h SER 139 N 0.00 0.00 1.44 -2.05 4.64 -1.97 -2.68 113.55 112.94 2pky h SER 139 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pky h SER 139 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2pky h SER 139 CO 0.02 0.00 -0.25 0.03 -0.87 0.00 0.00 176.83 175.76 2pky h ARG 140 N 0.00 0.00 -5.84 4.77 3.08 -1.81 -3.43 114.38 111.15 2pky h ARG 140 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2pky h ARG 140 Cb 0.33 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.19 2pky h ARG 140 CO 0.00 0.00 -0.66 -0.06 -1.07 0.00 0.00 179.97 178.18 2pky s PHE 141 N -3.17 3.04 0.00 3.04 0.40 -1.01 -0.65 117.98 119.63 2pky s PHE 141 Ca 0.07 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2pky s PHE 141 Cb 0.10 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2pky s PHE 141 CO 0.67 0.28 0.00 1.17 0.70 0.00 0.00 175.22 178.03 2pky n LYS 142 N 2.57 1.55 -3.93 0.44 4.81 0.44 -4.81 118.16 119.22 2pky n LYS 142 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.17 2pky n LYS 142 Cb 0.53 -0.93 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 2pky n LYS 142 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2pky s ARG 143 N -1.87 0.89 -0.04 1.64 0.52 -0.91 -2.48 118.95 116.70 2pky s ARG 143 Ca 0.00 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 2pky s ARG 143 Cb 0.00 0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.82 2pky s ARG 143 CO 0.00 -0.28 -0.05 -1.17 0.02 0.00 0.00 175.30 173.82 2pky s LEU 144 N -2.90 1.42 -0.28 2.53 2.96 -0.05 -1.03 118.68 121.32 2pky s LEU 144 Ca 0.09 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2pky s LEU 144 Cb 0.05 -0.46 0.04 0.00 0.50 0.00 0.00 46.19 46.32 2pky s LEU 144 CO -0.08 -0.03 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.27 2pky s ILE 145 N 0.78 3.00 -0.19 6.68 1.01 0.16 -1.07 121.20 131.58 2pky s ILE 145 Ca -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 2pky s ILE 145 Cb -0.14 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 2pky s ILE 145 CO 0.01 0.01 -0.06 -0.51 0.00 0.00 0.00 174.94 174.38 2pky s ILE 146 N 1.29 3.34 0.21 2.92 2.07 -0.25 -1.55 121.20 129.23 2pky s ILE 146 Ca -0.03 -0.52 0.09 0.00 -1.41 0.00 0.00 60.65 58.78 2pky s ILE 146 Cb -0.19 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.87 2pky s ILE 146 CO -0.02 0.45 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.35 2pky s MET 147 N 1.13 2.10 0.00 3.50 -1.94 -0.36 -1.13 119.30 122.60 2pky s MET 147 Ca 0.01 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 2pky s MET 147 Cb -0.15 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.56 2pky s MET 147 CO -0.01 0.41 0.00 0.09 -0.01 0.00 0.00 175.02 175.50 2pky n ASN 148 N -0.26 0.00 -3.63 3.03 4.13 -1.23 -4.10 115.26 113.20 2pky n ASN 148 Ca -0.09 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.07 2pky n ASN 148 Cb 0.57 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.78 2pky n ASN 148 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pky s ALA 149 N 0.00 -1.35 0.00 5.41 0.00 -1.26 -0.56 121.76 124.00 2pky s ALA 149 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2pky s ALA 149 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2pky s ALA 149 CO 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 175.76 174.89 2pky s LEU 151 N 0.00 2.66 -1.41 0.00 1.43 -1.26 -3.74 118.68 116.37 2pky s LEU 151 Ca 0.00 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2pky s LEU 151 Cb 0.00 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.75 2pky s LEU 151 CO 0.00 0.33 2.54 0.23 0.23 0.00 0.00 176.35 179.68 2pky n MET 152 N 2.24 4.34 -1.96 1.70 2.81 -1.26 -4.86 117.12 120.12 2pky n MET 152 Ca -0.17 -3.11 -0.24 0.00 -1.81 0.00 0.00 57.70 52.37 2pky n MET 152 Cb 0.52 -2.68 0.15 0.00 -0.71 0.00 0.00 33.22 30.49 2pky n MET 152 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2pky n THR 153 N 2.27 0.00 -2.16 2.03 5.66 -1.26 -4.13 114.28 116.68 2pky n THR 153 Ca 0.67 -1.09 -0.32 0.00 -3.05 0.00 0.00 64.05 60.26 2pky n THR 153 Cb 0.24 -1.30 -0.01 0.00 -1.55 0.00 0.00 70.33 67.71 2pky n THR 153 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2pky s ASP 154 N -5.00 6.39 0.56 1.09 -4.77 -1.26 -4.88 116.67 108.80 2pky s ASP 154 Ca 0.63 1.53 0.28 0.00 -3.30 0.00 0.00 52.55 51.70 2pky s ASP 154 Cb -0.02 -2.50 1.64 0.00 -1.09 0.00 0.00 42.92 40.95 2pky s ASP 154 CO 0.43 -0.75 2.16 1.55 0.70 0.00 0.00 175.17 179.27 2pky h PRO 155 N 0.40 0.00 -0.07 2.11 0.13 -1.94 -2.59 132.00 130.02 2pky h PRO 155 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 2pky h PRO 155 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2pky h PRO 155 CO 0.61 0.06 -0.91 0.28 -0.23 0.00 0.00 178.00 177.81 2pky h VAL 156 N 0.00 1.29 0.07 1.56 2.07 -1.96 -2.60 116.25 116.67 2pky h VAL 156 Ca -0.00 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.39 2pky h VAL 156 Cb 0.17 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2pky h VAL 156 CO 0.01 0.66 -0.03 0.74 0.02 0.00 0.00 177.57 178.97 2pky h THR 157 N 0.45 1.16 -2.79 2.57 2.02 -1.86 -3.39 112.91 111.07 2pky h THR 157 Ca -0.09 -0.81 -0.58 0.00 0.77 0.00 0.00 66.41 65.70 2pky h THR 157 Cb 1.55 1.69 -0.40 0.00 -1.74 0.00 0.00 68.15 69.25 2pky h THR 157 CO 0.18 0.20 -0.80 -1.10 0.37 0.00 0.00 175.52 174.37 2pky s GLN 158 N -4.70 0.74 0.48 6.66 -1.52 -1.09 -4.99 119.66 115.25 2pky s GLN 158 Ca -0.15 -1.40 0.17 0.00 -1.95 0.00 0.00 55.36 52.03 2pky s GLN 158 Cb 0.03 -1.67 1.18 0.00 -0.22 0.00 0.00 33.01 32.32 2pky s GLN 158 CO 0.64 -1.15 2.03 -1.00 -0.25 0.00 0.00 175.29 175.56 2pky h PRO 159 N 7.23 0.21 -0.11 2.91 0.13 -1.67 -1.44 132.00 139.25 2pky h PRO 159 Ca -0.01 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2pky h PRO 159 Cb 0.97 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2pky h PRO 159 CO 0.37 0.14 0.08 0.00 -0.23 0.00 0.00 178.00 178.36 2pky h ALA 160 N 1.77 2.05 -0.28 -0.56 0.00 -1.90 -0.21 119.26 120.13 2pky h ALA 160 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pky h ALA 160 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pky h ALA 160 CO -0.04 -0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.33 2pky n PHE 161 N -4.51 0.37 0.00 0.00 3.72 -0.54 -3.95 117.46 112.54 2pky n PHE 161 Ca -0.01 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2pky n PHE 161 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2pky n PHE 161 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pky n SER 162 N 0.50 3.79 -0.16 4.37 7.64 -0.83 -4.82 113.62 124.11 2pky n SER 162 Ca 0.14 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.08 2pky n SER 162 Cb 0.33 0.31 0.35 0.00 -1.01 0.00 0.00 64.21 64.19 2pky n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pky h ALA 163 N 0.00 1.68 0.00 -0.43 0.00 -1.18 -2.27 119.26 117.06 2pky h ALA 163 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pky h ALA 163 Cb 0.79 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2pky h ALA 163 CO 0.00 0.23 -0.02 0.27 0.00 0.00 0.00 179.25 179.73 2pky h PHE 164 N 0.76 0.00 -0.16 0.00 -5.15 -1.75 -2.41 116.94 108.23 2pky h PHE 164 Ca 0.28 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.04 2pky h PHE 164 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 2pky h PHE 164 CO -0.00 0.02 0.02 0.28 -2.00 0.00 0.00 178.31 176.63 2pky h VAL 165 N 0.00 1.09 0.00 0.88 2.07 -1.76 -3.24 116.25 115.29 2pky h VAL 165 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pky h VAL 165 Cb 0.13 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2pky h VAL 165 CO 0.00 0.11 -0.80 0.35 0.02 0.00 0.00 177.57 177.26 2pky n THR 166 N -4.43 0.00 -3.75 2.57 -2.24 -0.92 -3.87 114.28 101.65 2pky n THR 166 Ca -0.01 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 2pky n THR 166 Cb 0.15 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 2pky n THR 166 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pky s GLN 167 N -2.15 0.48 0.74 -0.78 -0.21 -1.15 -4.55 119.66 112.04 2pky s GLN 167 Ca 0.01 0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.61 2pky s GLN 167 Cb 0.07 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.34 2pky s GLN 167 CO 0.38 -0.08 1.10 -1.25 -2.12 0.00 0.00 175.29 173.31 2pky s PRO 168 N -0.17 2.57 0.36 2.91 0.04 -1.26 -4.31 135.00 135.13 2pky s PRO 168 Ca -0.03 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.60 2pky s PRO 168 Cb -0.03 -1.98 0.71 0.00 0.04 0.00 0.00 34.50 33.24 2pky s PRO 168 CO 0.01 -1.26 2.00 0.00 0.04 0.00 0.00 177.00 177.79 2pky h ALA 169 N -0.82 1.63 -0.19 8.56 0.00 -1.97 -0.19 119.26 126.28 2pky h ALA 169 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2pky h ALA 169 Cb 1.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pky h ALA 169 CO 0.62 0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.78 2pky n ASP 170 N -4.46 1.44 0.00 0.00 5.75 -1.26 -2.57 116.55 115.46 2pky n ASP 170 Ca 0.07 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2pky n ASP 170 Cb 0.11 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 2pky n ASP 170 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pky n GLY 171 N 0.65 0.66 0.36 6.12 0.00 -0.08 -4.67 105.19 108.23 2pky n GLY 171 Ca 0.07 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.04 2pky n GLY 171 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pky h PHE 172 N 0.00 0.68 -0.42 1.61 3.57 -1.74 -0.89 116.94 119.75 2pky h PHE 172 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2pky h PHE 172 Cb 0.00 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 2pky h PHE 172 CO 0.00 0.31 0.04 1.15 -2.23 0.00 0.00 178.31 177.58 2pky h THR 173 N 0.63 0.72 -0.38 4.41 2.02 -1.76 0.18 112.91 118.72 2pky h THR 173 Ca 0.35 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.39 2pky h THR 173 Cb 0.53 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2pky h THR 173 CO -0.13 0.03 -0.12 0.00 0.37 0.00 0.00 175.52 175.67 2pky h ALA 174 N 1.35 0.53 0.01 6.16 0.00 -0.99 -1.42 119.26 124.91 2pky h ALA 174 Ca 0.21 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2pky h ALA 174 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2pky h ALA 174 CO -0.31 0.42 -0.20 2.35 0.00 0.00 0.00 179.25 181.51 2pky h TRP 175 N 0.57 -0.53 -0.18 0.00 2.91 -0.76 0.18 115.95 118.14 2pky h TRP 175 Ca 0.09 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2pky h TRP 175 Cb 0.65 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 2pky h TRP 175 CO 0.05 -0.29 0.06 -0.22 -1.03 0.00 0.00 178.44 177.02 2pky h LYS 176 N -0.33 0.28 -0.56 2.65 3.64 -0.64 -1.99 116.57 119.62 2pky h LYS 176 Ca 0.05 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2pky h LYS 176 Cb 0.40 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 2pky h LYS 176 CO -0.18 0.38 0.05 -0.92 -2.27 0.00 0.00 179.45 176.51 2pky h TYR 177 N 0.13 0.06 -0.51 1.91 3.20 -1.03 0.32 116.97 121.04 2pky h TYR 177 Ca 0.06 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.00 2pky h TYR 177 Cb 0.21 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2pky h TYR 177 CO -0.00 -0.09 0.34 -0.44 -1.64 0.00 0.00 178.16 176.32 2pky h ASP 178 N 0.17 0.48 0.25 -2.11 3.32 -0.15 -2.67 116.42 115.71 2pky h ASP 178 Ca 0.29 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.99 2pky h ASP 178 Cb 0.45 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2pky h ASP 178 CO -0.43 0.33 -1.87 -0.07 -1.72 0.00 0.00 179.24 175.47 2pky h LEU 179 N 0.56 0.33 0.00 1.55 3.38 -0.56 -3.40 115.31 117.16 2pky h LEU 179 Ca 0.21 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2pky h LEU 179 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pky h LEU 179 CO -0.05 1.61 -1.47 1.33 0.09 0.00 0.00 178.44 179.95 2pky n VAL 180 N -3.38 0.25 -0.03 1.22 0.24 0.00 -4.61 118.33 112.02 2pky n VAL 180 Ca -0.26 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.34 61.35 2pky n VAL 180 Cb 1.05 -0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 33.22 2pky n VAL 180 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2pky n THR 181 N -2.35 1.70 -2.11 3.34 -2.24 -1.01 -4.94 114.28 106.66 2pky n THR 181 Ca -0.02 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 2pky n THR 181 Cb 0.54 -1.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.01 2pky n THR 181 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2pky s PRO 182 N -2.53 4.34 0.27 -0.78 0.02 -1.26 -4.88 135.00 130.18 2pky s PRO 182 Ca -0.26 2.20 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2pky s PRO 182 Cb 0.07 -3.12 0.36 0.00 0.02 0.00 0.00 34.50 31.84 2pky s PRO 182 CO 0.71 -0.27 1.72 0.66 -0.33 0.00 0.00 177.00 179.48 2pky h SER 183 N 4.43 0.60 -4.09 2.53 4.64 -1.97 -3.36 113.55 116.33 2pky h SER 183 Ca -0.47 -0.19 -0.69 0.00 -0.47 0.00 0.00 61.79 59.98 2pky h SER 183 Cb 1.22 -0.16 -0.36 0.00 -0.31 0.00 0.00 62.40 62.79 2pky h SER 183 CO 0.72 0.79 -0.44 -0.62 -0.87 0.00 0.00 176.83 176.42 2pky s ASP 184 N -6.76 5.08 -0.44 4.97 -1.08 -1.26 -4.80 116.67 112.38 2pky s ASP 184 Ca -0.08 -2.77 -0.24 0.00 -0.52 0.00 0.00 52.55 48.94 2pky s ASP 184 Cb 0.14 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.81 2pky s ASP 184 CO 0.80 -0.37 0.84 -0.22 0.52 0.00 0.00 175.17 176.75 2pky s LEU 185 N 0.07 4.13 -0.53 -1.34 2.96 -1.26 -5.00 118.68 117.71 2pky s LEU 185 Ca 0.16 0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 2pky s LEU 185 Cb -0.21 -3.07 0.13 0.00 0.50 0.00 0.00 46.19 43.54 2pky s LEU 185 CO -0.03 -0.94 0.45 -0.13 -1.32 0.00 0.00 176.35 174.39 2pky s ARG 186 N 3.44 2.83 0.51 1.98 0.52 -1.26 -4.94 118.95 122.03 2pky s ARG 186 Ca 0.33 -1.75 0.30 0.00 -0.52 0.00 0.00 55.73 54.08 2pky s ARG 186 Cb -0.11 -4.17 1.06 0.00 0.52 0.00 0.00 34.95 32.24 2pky s ARG 186 CO 0.23 -1.28 1.87 -0.07 0.02 0.00 0.00 175.30 176.07 2pky h LEU 187 N 8.70 0.00 -0.30 2.53 3.38 -1.93 -1.64 115.31 126.04 2pky h LEU 187 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2pky h LEU 187 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2pky h LEU 187 CO 0.97 0.05 0.15 -2.24 0.09 0.00 0.00 178.44 177.46 2pky h ASP 188 N 0.00 0.39 -0.48 -0.43 2.03 -1.84 0.80 116.42 116.90 2pky h ASP 188 Ca -0.00 -0.11 -0.10 0.00 -0.73 0.00 0.00 57.03 56.09 2pky h ASP 188 Cb 0.67 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.05 2pky h ASP 188 CO 0.01 0.39 -0.08 1.56 -1.03 0.00 0.00 179.24 180.09 2pky h GLN 189 N 0.36 0.90 -0.37 4.15 4.20 -1.74 -1.39 115.11 121.22 2pky h GLN 189 Ca 0.11 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.51 2pky h GLN 189 Cb 0.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2pky h GLN 189 CO -0.01 0.97 0.19 0.35 -0.67 0.00 0.00 178.83 179.66 2pky h PHE 190 N 0.75 0.36 -0.08 2.96 3.04 -1.22 -1.95 116.94 120.79 2pky h PHE 190 Ca 0.13 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.95 2pky h PHE 190 Cb 0.62 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 2pky h PHE 190 CO 0.05 0.20 -0.59 0.52 -2.02 0.00 0.00 178.31 176.47 2pky h MET 191 N 0.40 0.27 -0.26 1.11 2.86 -0.68 -1.12 114.93 117.51 2pky h MET 191 Ca 0.15 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2pky h MET 191 Cb 0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2pky h MET 191 CO -0.09 0.78 0.02 -0.22 1.06 0.00 0.00 176.91 178.46 2pky h LYS 192 N 0.20 0.38 -0.01 1.72 1.63 -1.07 0.33 116.57 119.75 2pky h LYS 192 Ca -0.00 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2pky h LYS 192 Cb 1.09 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2pky h LYS 192 CO 0.09 0.39 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.37 2pky h ARG 193 N 0.37 0.04 0.00 1.90 2.43 -0.74 -3.15 114.38 115.24 2pky h ARG 193 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2pky h ARG 193 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2pky h ARG 193 CO 0.00 0.59 -0.68 -1.49 -1.51 0.00 0.00 179.97 176.89 2pky h TRP 194 N -0.50 0.00 -2.31 2.20 4.06 -1.10 -3.37 115.95 114.93 2pky h TRP 194 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 2pky h TRP 194 Cb 0.59 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.35 2pky h TRP 194 CO 0.12 0.00 -0.86 0.00 -3.56 0.00 0.00 178.44 174.14 2pky n ALA 195 N -1.92 3.11 0.49 1.49 0.00 0.11 -4.50 120.51 119.29 2pky n ALA 195 Ca 0.03 -3.86 0.05 0.00 0.00 0.00 0.00 53.44 49.66 2pky n ALA 195 Cb 0.47 -0.85 0.27 0.00 0.00 0.00 0.00 19.45 19.33 2pky n ALA 195 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pky n PRO 196 N 1.70 0.13 0.07 0.00 -0.04 -1.19 -1.77 135.00 133.90 2pky n PRO 196 Ca 0.25 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2pky n PRO 196 Cb 0.46 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.89 2pky n PRO 196 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pky n THR 197 N -1.32 0.42 -1.94 0.52 -2.24 -1.26 -4.89 114.28 103.57 2pky n THR 197 Ca 0.05 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 2pky n THR 197 Cb 0.09 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 67.75 2pky n THR 197 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pky s LEU 198 N -4.08 4.37 0.85 3.22 1.43 -0.73 -5.03 118.68 118.71 2pky s LEU 198 Ca 0.12 2.89 -0.13 0.00 -1.03 0.00 0.00 54.13 55.97 2pky s LEU 198 Cb 0.14 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.81 2pky s LEU 198 CO 0.58 -0.72 1.21 0.42 0.23 0.00 0.00 176.35 178.06 2pky s THR 199 N -1.13 2.00 0.25 5.49 -4.23 -1.26 -4.88 115.64 111.88 2pky s THR 199 Ca 0.51 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2pky s THR 199 Cb -0.43 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.49 2pky s THR 199 CO 0.59 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 176.29 2pky h GLU 200 N -1.21 0.67 -0.59 3.99 4.57 -1.98 -1.14 114.58 118.89 2pky h GLU 200 Ca -0.46 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 57.52 2pky h GLU 200 Cb 1.31 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.81 2pky h GLU 200 CO 0.60 0.81 0.35 0.00 -1.18 0.00 0.00 179.01 179.58 2pky h ALA 201 N 1.21 0.76 -0.19 2.92 0.00 -1.99 -0.09 119.26 121.88 2pky h ALA 201 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pky h ALA 201 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pky h ALA 201 CO 0.04 0.07 -0.14 0.93 0.00 0.00 0.00 179.25 180.16 2pky h GLU 202 N 0.69 0.42 -1.00 0.00 5.08 -1.86 -3.09 114.58 114.81 2pky h GLU 202 Ca 0.24 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2pky h GLU 202 Cb 0.04 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2pky h GLU 202 CO -0.11 0.75 0.66 0.00 -1.00 0.00 0.00 179.01 179.31 2pky h ALA 203 N 0.66 1.34 -0.34 3.43 0.00 -1.02 -1.37 119.26 121.96 2pky h ALA 203 Ca 0.04 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2pky h ALA 203 Cb 0.65 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2pky h ALA 203 CO 0.04 0.57 0.24 0.66 0.00 0.00 0.00 179.25 180.75 2pky h SER 204 N 1.28 0.10 0.31 0.00 4.64 -0.93 -1.18 113.55 117.77 2pky h SER 204 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2pky h SER 204 Cb -0.02 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2pky h SER 204 CO -0.12 0.06 -0.08 0.00 -0.87 0.00 0.00 176.83 175.83 2pky h ALA 205 N 1.83 1.26 0.00 5.18 0.00 -1.20 -1.06 119.26 125.27 2pky h ALA 205 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2pky h ALA 205 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pky h ALA 205 CO -0.02 0.10 -0.36 1.88 0.00 0.00 0.00 179.25 180.85 2pky h TYR 206 N 0.00 0.00 0.00 0.00 0.05 -1.29 -3.20 116.97 112.53 2pky h TYR 206 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 2pky h TYR 206 Cb 0.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2pky h TYR 206 CO 0.00 0.11 -0.96 0.00 -1.05 0.00 0.00 178.16 176.27 2pky h ALA 207 N 1.89 0.65 -0.87 3.88 0.00 -1.27 -3.40 119.26 120.13 2pky h ALA 207 Ca -0.01 -0.59 0.22 0.00 0.00 0.00 0.00 54.91 54.53 2pky h ALA 207 Cb 1.09 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2pky h ALA 207 CO 0.01 0.70 0.30 0.00 0.00 0.00 0.00 179.25 180.27 2pky h ALA 208 N 1.51 1.32 0.00 0.00 0.00 -1.23 -0.76 119.26 120.10 2pky h ALA 208 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pky h ALA 208 Cb 1.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2pky h ALA 208 CO 0.05 -0.41 0.00 -2.30 0.00 0.00 0.00 179.25 176.59 2pky n PRO 209 N -5.14 0.07 -3.67 0.00 -0.02 -1.26 -4.45 135.00 120.53 2pky n PRO 209 Ca 0.21 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.68 2pky n PRO 209 Cb 0.66 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.53 2pky n PRO 209 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2pky s PHE 210 N -2.80 2.44 0.37 6.00 0.08 -0.29 -4.74 117.98 119.03 2pky s PHE 210 Ca 0.07 -2.88 0.12 0.00 0.12 0.00 0.00 56.93 54.37 2pky s PHE 210 Cb 0.07 -1.89 0.92 0.00 -0.57 0.00 0.00 43.02 41.55 2pky s PHE 210 CO 0.18 -0.67 1.83 -1.35 -0.10 0.00 0.00 175.22 175.10 2pky h PRO 211 N 5.51 0.57 0.00 0.24 0.11 -1.79 -3.46 132.00 133.18 2pky h PRO 211 Ca 0.20 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 2pky h PRO 211 Cb 0.82 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.81 2pky h PRO 211 CO 0.56 0.38 0.25 -0.40 -0.21 0.00 0.00 178.00 178.58 2pky n ASP 212 N -4.60 -2.20 0.31 -2.05 5.68 -1.26 -5.05 116.55 107.37 2pky n ASP 212 Ca 0.20 -2.56 0.18 0.00 -0.50 0.00 0.00 54.79 52.11 2pky n ASP 212 Cb 0.62 3.68 1.01 0.00 -1.14 0.00 0.00 41.12 45.29 2pky n ASP 212 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pky h THR 213 N 1.96 0.30 0.00 2.12 1.03 -1.88 -1.90 112.91 114.55 2pky h THR 213 Ca -0.32 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2pky h THR 213 Cb 1.20 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2pky h THR 213 CO 0.41 0.01 0.00 0.77 -0.01 0.00 0.00 175.52 176.71 2pky h SER 214 N 0.00 0.00 -0.00 0.00 4.64 -1.97 -1.99 113.55 114.23 2pky h SER 214 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pky h SER 214 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2pky h SER 214 CO 0.00 0.00 -0.01 -1.22 -0.87 0.00 0.00 176.83 174.73 2pky n TYR 215 N -2.95 0.00 -0.66 4.77 4.02 -0.71 -4.45 117.16 117.18 2pky n TYR 215 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.96 2pky n TYR 215 Cb 0.25 -0.01 0.21 0.00 -0.02 0.00 0.00 39.34 39.77 2pky n TYR 215 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2pky n GLN 216 N 0.21 2.90 -0.37 -0.72 6.02 -0.75 -4.63 117.38 120.04 2pky n GLN 216 Ca 0.18 -2.51 -0.02 0.00 -0.01 0.00 0.00 57.00 54.64 2pky n GLN 216 Cb 0.37 -1.61 0.11 0.00 1.02 0.00 0.00 30.24 30.13 2pky n GLN 216 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pky h ALA 217 N 1.85 1.26 -0.70 -1.58 0.00 -1.78 0.14 119.26 118.46 2pky h ALA 217 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2pky h ALA 217 Cb 1.15 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2pky h ALA 217 CO 0.13 0.67 0.21 0.78 0.00 0.00 0.00 179.25 181.04 2pky h GLY 218 N 1.35 1.17 0.97 0.00 0.00 -1.82 -1.82 103.07 102.93 2pky h GLY 218 Ca 0.36 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2pky h GLY 218 CO -0.08 0.65 0.21 -2.08 0.00 0.00 0.00 176.54 175.25 2pky h VAL 219 N 1.03 1.20 -0.28 4.60 2.07 -1.52 -2.83 116.25 120.52 2pky h VAL 219 Ca 0.22 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 2pky h VAL 219 Cb 0.31 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2pky h VAL 219 CO -0.01 0.23 -0.20 0.03 0.02 0.00 0.00 177.57 177.64 2pky h ARG 220 N 0.65 0.51 -0.06 1.57 3.08 -0.84 -3.28 114.38 116.02 2pky h ARG 220 Ca 0.17 -0.18 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 2pky h ARG 220 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2pky h ARG 220 CO -0.02 0.69 -0.76 -0.22 -1.07 0.00 0.00 179.97 178.59 2pky h LYS 221 N 0.46 0.37 0.01 0.04 1.63 -1.10 -3.36 116.57 114.61 2pky h LYS 221 Ca 0.07 -0.32 0.03 0.00 -0.85 0.00 0.00 60.65 59.59 2pky h LYS 221 Cb 0.61 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.26 2pky h LYS 221 CO 0.04 0.97 -0.34 0.74 -3.45 0.00 0.00 179.45 177.41 2pky h PHE 222 N 0.25 -0.94 0.00 1.91 0.04 -1.57 -1.66 116.94 114.96 2pky h PHE 222 Ca -0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2pky h PHE 222 Cb 1.34 0.42 -0.00 0.00 2.20 0.00 0.00 35.95 39.90 2pky h PHE 222 CO 0.04 -0.43 -0.14 -1.00 -0.60 0.00 0.00 178.31 176.18 2pky h PRO 223 N -0.50 0.00 -0.09 1.51 0.13 -1.78 -1.38 132.00 129.90 2pky h PRO 223 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 2pky h PRO 223 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2pky h PRO 223 CO -0.27 0.14 -0.34 0.87 -0.23 0.00 0.00 178.00 178.16 2pky h LYS 224 N 0.00 0.17 0.00 0.86 1.57 -1.48 -2.24 116.57 115.44 2pky h LYS 224 Ca -0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2pky h LYS 224 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2pky h LYS 224 CO 0.02 0.50 -0.31 0.52 -0.57 0.00 0.00 179.45 179.60 2pky h MET 225 N 0.15 0.00 -0.21 3.15 2.86 -0.44 -0.33 114.93 120.11 2pky h MET 225 Ca 0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.45 2pky h MET 225 Cb 0.68 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2pky h MET 225 CO 0.05 0.31 -0.69 0.28 1.06 0.00 0.00 176.91 177.92 2pky h VAL 226 N 0.00 1.27 -0.06 -2.22 2.07 -1.07 -3.33 116.25 112.91 2pky h VAL 226 Ca -0.00 -1.87 -0.22 0.00 0.82 0.00 0.00 66.70 65.42 2pky h VAL 226 Cb 1.01 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2pky h VAL 226 CO 0.04 0.60 -0.86 0.00 0.02 0.00 0.00 177.57 177.37 2pky h ALA 227 N 0.60 0.37 -3.34 1.67 0.00 -1.19 -3.41 119.26 113.96 2pky h ALA 227 Ca -0.03 -0.65 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 2pky h ALA 227 Cb 1.31 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.69 2pky h ALA 227 CO 0.15 0.74 -0.74 -0.65 0.00 0.00 0.00 179.25 178.75 2pky s GLN 228 N -3.50 1.01 -0.28 0.00 1.11 -0.15 -5.11 119.66 112.75 2pky s GLN 228 Ca -0.08 -1.40 -0.17 0.00 0.01 0.00 0.00 55.36 53.72 2pky s GLN 228 Cb 0.09 -2.45 -0.03 0.00 -1.01 0.00 0.00 33.01 29.61 2pky s GLN 228 CO 0.88 -0.98 0.48 1.03 0.01 0.00 0.00 175.29 176.71 2pky s ARG 229 N 1.31 3.99 0.99 2.91 0.52 -1.25 -4.39 118.95 123.02 2pky s ARG 229 Ca 0.11 0.18 -0.12 0.00 -0.52 0.00 0.00 55.73 55.37 2pky s ARG 229 Cb -0.18 -3.68 0.18 0.00 0.52 0.00 0.00 34.95 31.79 2pky s ARG 229 CO -0.18 -0.38 1.10 0.16 0.02 0.00 0.00 175.30 176.03 2pky s ASP 230 N 1.60 2.75 0.23 0.23 1.47 -1.26 -4.77 116.67 116.91 2pky s ASP 230 Ca 0.19 1.11 -0.05 0.00 1.18 0.00 0.00 52.55 54.99 2pky s ASP 230 Cb -0.16 -1.76 0.22 0.00 -0.34 0.00 0.00 42.92 40.88 2pky s ASP 230 CO 0.10 -3.04 1.69 -0.61 0.68 0.00 0.00 175.17 173.99 2pky h GLN 231 N -1.83 0.87 -0.20 2.11 5.75 -1.99 -1.25 115.11 118.57 2pky h GLN 231 Ca -0.54 -0.28 0.03 0.00 -0.15 0.00 0.00 58.65 57.71 2pky h GLN 231 Cb 1.33 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 2pky h GLN 231 CO 0.59 0.90 0.03 0.00 -2.65 0.00 0.00 178.83 177.71 2pky h ALA 232 N 1.13 0.20 -0.18 3.38 0.00 -1.99 -0.12 119.26 121.68 2pky h ALA 232 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2pky h ALA 232 Cb 0.56 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2pky h ALA 232 CO 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 179.25 178.85 2pky h ILE 234 N 0.02 0.98 0.18 0.00 2.04 -1.02 -0.50 117.51 119.20 2pky h ILE 234 Ca 0.09 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2pky h ILE 234 Cb 0.12 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2pky h ILE 234 CO -0.17 0.02 -0.09 0.44 0.00 0.00 0.00 178.15 178.35 2pky h ASP 235 N 0.11 -0.20 -0.44 1.72 3.32 -0.82 -0.36 116.42 119.75 2pky h ASP 235 Ca 0.05 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2pky h ASP 235 Cb 0.02 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2pky h ASP 235 CO -0.05 -0.08 0.11 0.40 -1.72 0.00 0.00 179.24 177.90 2pky h ILE 236 N -0.31 1.23 -0.56 0.35 2.04 -1.09 -1.08 117.51 118.09 2pky h ILE 236 Ca -0.02 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2pky h ILE 236 Cb 0.24 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2pky h ILE 236 CO 0.04 0.28 0.17 0.28 0.00 0.00 0.00 178.15 178.92 2pky h SER 237 N 0.58 0.79 -0.35 1.72 0.02 -1.01 -1.45 113.55 113.85 2pky h SER 237 Ca 0.14 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2pky h SER 237 Cb 0.31 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2pky h SER 237 CO 0.00 0.75 -0.07 0.74 -1.14 0.00 0.00 176.83 177.12 2pky h THR 238 N 0.83 1.27 -0.95 -2.27 2.02 -0.73 -2.68 112.91 110.40 2pky h THR 238 Ca 0.19 -1.12 0.08 0.00 0.77 0.00 0.00 66.41 66.33 2pky h THR 238 Cb 0.26 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 2pky h THR 238 CO -0.01 0.37 0.60 -0.08 0.37 0.00 0.00 175.52 176.77 2pky h GLU 239 N 0.46 1.00 -0.81 6.66 4.81 -0.98 -2.41 114.58 123.32 2pky h GLU 239 Ca 0.09 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2pky h GLU 239 Cb 0.56 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2pky h GLU 239 CO 0.03 0.66 0.42 0.00 -0.73 0.00 0.00 179.01 179.40 2pky h ALA 240 N 1.47 1.23 -0.47 2.92 0.00 -1.06 -2.46 119.26 120.89 2pky h ALA 240 Ca 0.44 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.30 2pky h ALA 240 Cb 0.29 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2pky h ALA 240 CO -0.21 0.61 0.01 0.82 0.00 0.00 0.00 179.25 180.48 2pky h ILE 241 N 1.13 0.64 -0.74 0.00 2.04 -1.10 -0.85 117.51 118.63 2pky h ILE 241 Ca 0.28 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 2pky h ILE 241 Cb 0.05 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2pky h ILE 241 CO -0.04 0.02 0.40 -1.28 0.00 0.00 0.00 178.15 177.25 2pky h SER 242 N 0.12 0.91 0.23 1.72 0.87 -1.44 -1.80 113.55 114.16 2pky h SER 242 Ca 0.24 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2pky h SER 242 Cb 0.35 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2pky h SER 242 CO -0.38 0.73 -0.14 0.15 -0.53 0.00 0.00 176.83 176.66 2pky h PHE 243 N 1.03 -0.35 -0.39 2.24 3.57 -0.81 -0.60 116.94 121.63 2pky h PHE 243 Ca 0.26 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2pky h PHE 243 Cb 0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2pky h PHE 243 CO 0.01 -0.21 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.31 2pky h TRP 244 N -0.35 0.71 -0.12 0.41 4.06 -0.88 0.12 115.95 119.90 2pky h TRP 244 Ca -0.02 -0.11 -0.14 0.00 2.06 0.00 0.00 58.89 60.68 2pky h TRP 244 Cb 0.29 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 2pky h TRP 244 CO -0.08 0.72 -0.45 0.37 -3.56 0.00 0.00 178.44 175.43 2pky h GLN 245 N 0.61 0.53 0.00 0.49 4.15 -0.41 0.72 115.11 121.21 2pky h GLN 245 Ca 0.11 -0.40 -0.07 0.00 0.77 0.00 0.00 58.65 59.06 2pky h GLN 245 Cb 0.50 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2pky h GLN 245 CO 0.03 1.03 -1.40 0.09 -1.93 0.00 0.00 178.83 176.64 2pky n ASN 246 N -4.26 3.36 -0.03 -0.69 3.02 -0.24 -4.52 115.26 111.90 2pky n ASN 246 Ca -0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.45 2pky n ASN 246 Cb 0.57 0.94 -0.06 0.00 -0.61 0.00 0.00 39.78 40.62 2pky n ASN 246 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pky n ASP 247 N -2.04 3.26 -4.70 6.41 8.00 0.27 -5.00 116.55 122.75 2pky n ASP 247 Ca -0.07 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 2pky n ASP 247 Cb 0.50 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.32 2pky n ASP 247 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2pky s TRP 248 N -2.21 3.02 -0.05 1.24 -0.11 -0.42 -4.89 118.94 115.52 2pky s TRP 248 Ca -0.03 0.86 0.09 0.00 1.22 0.00 0.00 56.10 58.24 2pky s TRP 248 Cb 0.02 -3.68 0.16 0.00 -1.50 0.00 0.00 33.47 28.48 2pky s TRP 248 CO 0.29 -2.46 1.08 0.09 -4.62 0.00 0.00 176.95 171.33 2pky n ASN 249 N 4.71 0.86 -4.17 5.86 3.02 -1.26 -4.69 115.26 119.58 2pky n ASN 249 Ca 0.12 -2.41 -0.25 0.00 -0.03 0.00 0.00 54.58 52.02 2pky n ASN 249 Cb 0.43 -0.29 0.15 0.00 -0.61 0.00 0.00 39.78 39.46 2pky n ASN 249 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pky n GLY 250 N -0.38 -0.36 3.83 7.41 0.00 -1.26 -5.07 105.19 109.36 2pky n GLY 250 Ca 0.06 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2pky n GLY 250 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pky s GLN 251 N -5.39 4.06 0.04 1.61 -0.21 -1.04 -4.94 119.66 113.79 2pky s GLN 251 Ca 0.68 0.57 0.06 0.00 0.02 0.00 0.00 55.36 56.70 2pky s GLN 251 Cb -0.03 -3.15 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 2pky s GLN 251 CO 0.47 0.61 -0.18 0.99 -2.12 0.00 0.00 175.29 175.06 2pky s THR 252 N -1.20 1.41 -0.07 -0.19 2.01 -1.26 -0.87 115.64 115.47 2pky s THR 252 Ca 0.30 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.20 2pky s THR 252 Cb -0.17 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2pky s THR 252 CO 0.18 0.11 -0.04 0.12 -0.69 0.00 0.00 174.62 174.30 2pky s PHE 253 N -0.82 0.87 -0.10 4.92 5.36 -0.23 -4.43 117.98 123.55 2pky s PHE 253 Ca 0.05 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2pky s PHE 253 Cb -0.08 -0.82 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 2pky s PHE 253 CO 0.02 -0.29 -0.10 1.41 -1.46 0.00 0.00 175.22 174.79 2pky s MET 254 N 1.40 3.05 -0.08 10.12 -2.45 -1.26 -1.09 119.30 128.99 2pky s MET 254 Ca -0.03 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 2pky s MET 254 Cb -0.13 -2.61 0.01 0.00 1.25 0.00 0.00 34.83 33.34 2pky s MET 254 CO -0.03 0.44 -0.15 0.00 1.05 0.00 0.00 175.02 176.33 2pky s ALA 255 N -0.23 1.52 -0.14 4.11 0.00 -0.28 -0.21 121.76 126.53 2pky s ALA 255 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 2pky s ALA 255 Cb -0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2pky s ALA 255 CO 0.03 0.15 -0.14 0.42 0.00 0.00 0.00 175.76 176.22 2pky s ILE 256 N 0.61 2.91 -0.60 0.00 1.01 0.19 -3.54 121.20 121.78 2pky s ILE 256 Ca -0.15 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 2pky s ILE 256 Cb -0.16 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.11 2pky s ILE 256 CO 0.05 0.52 1.18 -0.83 0.00 0.00 0.00 174.94 175.85 2pky s GLY 257 N 0.55 1.13 0.49 6.18 0.00 -1.26 -0.91 107.32 113.49 2pky s GLY 257 Ca -0.09 -0.94 0.27 0.00 0.00 0.00 0.00 44.72 43.96 2pky s GLY 257 CO 0.04 2.48 1.96 -0.33 0.00 0.00 0.00 173.10 177.24 2pky h MET 258 N 9.58 0.00 -0.08 2.90 0.00 -1.04 -2.34 114.93 123.95 2pky h MET 258 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.45 2pky h MET 258 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.66 2pky h MET 258 CO 1.19 0.16 0.00 1.63 0.00 0.00 0.00 176.91 179.89 2pky n LYS 259 N -3.46 1.81 -1.79 1.72 5.02 -0.18 -4.70 118.16 116.59 2pky n LYS 259 Ca -0.01 -1.19 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 2pky n LYS 259 Cb 0.33 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2pky n LYS 259 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2pky s ASP 260 N -1.85 6.49 0.08 4.39 2.15 -0.88 -4.82 116.67 122.23 2pky s ASP 260 Ca 0.35 2.67 0.27 0.00 0.43 0.00 0.00 52.55 56.26 2pky s ASP 260 Cb 0.20 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 41.06 2pky s ASP 260 CO 0.31 -0.96 1.67 0.29 -0.17 0.00 0.00 175.17 176.31 2pky n LYS 261 N 5.65 0.13 -0.00 4.34 5.02 -1.26 -3.62 118.16 128.41 2pky n LYS 261 Ca 0.17 0.08 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2pky n LYS 261 Cb 0.39 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2pky n LYS 261 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pky n LEU 262 N -1.83 0.12 -2.56 -0.35 4.32 -1.26 -4.42 117.00 111.02 2pky n LEU 262 Ca 0.06 0.16 -0.25 0.00 -0.02 0.00 0.00 56.01 55.96 2pky n LEU 262 Cb 0.38 -0.52 -0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2pky n LEU 262 CO 0.31 -0.49 0.14 0.18 -1.22 0.00 0.00 177.39 176.31 2pky n LEU 263 N -2.50 4.20 0.00 2.23 4.77 -1.26 -4.82 117.00 119.62 2pky n LEU 263 Ca -0.01 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 50.91 2pky n LEU 263 Cb 0.02 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2pky n LEU 263 CO 0.01 2.16 0.00 0.61 -1.33 0.00 0.00 177.39 178.84 2pky n GLY 264 N -0.39 0.23 0.35 -0.72 0.00 -1.24 -4.46 105.19 98.96 2pky n GLY 264 Ca 0.34 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.96 2pky n GLY 264 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pky h PRO 265 N 0.00 0.65 -0.90 1.61 0.11 -1.84 0.74 132.00 132.37 2pky h PRO 265 Ca 0.00 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.27 2pky h PRO 265 Cb 0.00 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 30.89 2pky h PRO 265 CO 0.00 0.43 0.60 -0.44 -0.21 0.00 0.00 178.00 178.38 2pky h ASP 266 N 0.67 0.43 0.06 -2.05 5.19 -1.95 -1.78 116.42 116.99 2pky h ASP 266 Ca 0.61 0.04 -0.38 0.00 -0.62 0.00 0.00 57.03 56.69 2pky h ASP 266 Cb 1.07 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.49 2pky h ASP 266 CO -0.43 0.17 -2.29 0.52 -3.12 0.00 0.00 179.24 174.10 2pky n VAL 267 N -4.52 1.59 0.09 -1.35 0.31 -0.32 -4.45 118.33 109.67 2pky n VAL 267 Ca 0.19 -0.62 -0.07 0.00 -0.01 0.00 0.00 64.34 63.84 2pky n VAL 267 Cb 0.68 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 2pky n VAL 267 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2pky h MET 268 N 0.03 0.08 -0.14 5.55 2.86 -0.63 -2.01 114.93 120.67 2pky h MET 268 Ca -0.52 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.00 2pky h MET 268 Cb 1.97 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 2pky h MET 268 CO -0.02 0.92 -0.02 1.88 1.06 0.00 0.00 176.91 180.73 2pky h TYR 269 N 0.04 0.28 -0.92 -0.22 0.05 -1.58 0.17 116.97 114.79 2pky h TYR 269 Ca -0.03 -0.06 0.12 0.00 0.05 0.00 0.00 58.73 58.82 2pky h TYR 269 Cb 1.56 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 39.16 2pky h TYR 269 CO 0.01 0.52 0.59 -1.35 -1.05 0.00 0.00 178.16 176.89 2pky h PRO 270 N -0.04 0.81 -0.38 4.88 0.11 -1.77 -2.33 132.00 133.29 2pky h PRO 270 Ca 0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2pky h PRO 270 Cb 0.42 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 2pky h PRO 270 CO 0.01 0.54 0.12 1.98 -0.21 0.00 0.00 178.00 180.43 2pky h MET 271 N 0.84 0.59 -0.80 1.05 4.05 -1.08 -2.93 114.93 116.66 2pky h MET 271 Ca 0.45 -0.13 0.14 0.00 -0.28 0.00 0.00 59.70 59.89 2pky h MET 271 Cb 0.56 -0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 31.18 2pky h MET 271 CO -0.22 0.61 0.37 -0.22 0.23 0.00 0.00 176.91 177.68 2pky h LYS 272 N 0.47 0.51 0.00 0.39 3.64 -0.15 -1.76 116.57 119.67 2pky h LYS 272 Ca 0.12 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2pky h LYS 272 Cb 0.26 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2pky h LYS 272 CO -0.00 0.34 -0.14 0.00 -2.27 0.00 0.00 179.45 177.38 2pky h ALA 273 N 1.55 1.26 0.00 5.00 0.00 -1.25 -2.47 119.26 123.36 2pky h ALA 273 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pky h ALA 273 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2pky h ALA 273 CO -0.38 0.17 -0.33 -0.07 0.00 0.00 0.00 179.25 178.63 2pky h LEU 274 N 0.00 0.00 -8.49 0.00 3.38 -1.27 -3.44 115.31 105.49 2pky h LEU 274 Ca -0.00 -0.11 -0.72 0.00 0.09 0.00 0.00 57.88 57.14 2pky h LEU 274 Cb 0.38 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.92 2pky h LEU 274 CO 0.02 0.05 -0.40 -0.63 0.09 0.00 0.00 178.44 177.57 2pky s ILE 275 N -3.14 5.24 0.01 1.22 1.01 -0.93 -1.54 121.20 123.07 2pky s ILE 275 Ca 0.08 -0.65 -0.34 0.00 0.00 0.00 0.00 60.65 59.74 2pky s ILE 275 Cb 0.12 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 2pky s ILE 275 CO 0.67 -0.33 1.73 -3.20 0.00 0.00 0.00 174.94 173.80 2pky n ASN 276 N 5.21 3.18 0.00 3.58 5.15 0.25 -1.76 115.26 130.87 2pky n ASN 276 Ca -0.11 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 2pky n ASN 276 Cb 0.47 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 2pky n ASN 276 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pky n GLY 277 N 3.92 0.68 3.69 8.20 0.00 -1.26 -4.83 105.19 115.59 2pky n GLY 277 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2pky n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pky s PRO 279 N 2.82 0.29 0.38 0.00 0.04 -1.26 -4.99 135.00 132.27 2pky s PRO 279 Ca 0.76 -0.10 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 2pky s PRO 279 Cb -0.41 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 2pky s PRO 279 CO 0.33 -2.70 1.45 -1.91 0.04 0.00 0.00 177.00 174.21 2pky n GLU 280 N -4.04 2.55 -2.35 4.56 2.13 -1.26 -4.79 120.64 117.45 2pky n GLU 280 Ca 0.12 0.90 -0.35 0.00 0.66 0.00 0.00 57.16 58.48 2pky n GLU 280 Cb 0.59 -2.61 -0.01 0.00 0.27 0.00 0.00 31.44 29.68 2pky n GLU 280 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2pky s PRO 281 N -2.09 3.61 -0.18 5.31 0.04 -1.26 -4.76 135.00 135.67 2pky s PRO 281 Ca 0.54 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2pky s PRO 281 Cb -0.49 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 2pky s PRO 281 CO 0.63 -0.63 1.28 -1.17 0.04 0.00 0.00 177.00 177.16 2pky s LEU 282 N -3.47 4.15 -0.36 -3.56 2.96 0.71 -4.95 118.68 114.16 2pky s LEU 282 Ca 0.68 1.65 -0.17 0.00 -0.22 0.00 0.00 54.13 56.08 2pky s LEU 282 Cb -0.23 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 2pky s LEU 282 CO 0.27 -0.81 0.44 -1.61 -1.32 0.00 0.00 176.35 173.32 2pky s GLU 283 N 3.61 3.52 -0.51 1.98 2.02 -1.26 -0.64 118.70 127.43 2pky s GLU 283 Ca 0.56 -0.35 -0.17 0.00 0.02 0.00 0.00 54.97 55.02 2pky s GLU 283 Cb -0.21 -3.83 0.08 0.00 0.10 0.00 0.00 34.13 30.26 2pky s GLU 283 CO 0.16 -0.63 0.53 0.42 0.02 0.00 0.00 175.26 175.76 2pky s ILE 284 N 2.21 5.05 0.37 -1.63 1.01 -0.09 -4.95 121.20 123.17 2pky s ILE 284 Ca 0.15 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2pky s ILE 284 Cb -0.16 -4.26 0.27 0.00 0.01 0.00 0.00 42.46 38.32 2pky s ILE 284 CO 0.13 -0.76 2.01 0.00 0.00 0.00 0.00 174.94 176.32 2pky h ALA 285 N 8.91 1.63 -0.01 9.38 0.00 -1.96 -1.74 119.26 135.47 2pky h ALA 285 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pky h ALA 285 Cb 1.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2pky h ALA 285 CO 0.95 0.33 -0.66 -0.25 0.00 0.00 0.00 179.25 179.62 2pky n ASP 286 N -4.46 1.56 -4.80 0.00 8.00 -1.26 -4.23 116.55 111.36 2pky n ASP 286 Ca 0.06 -1.28 -0.34 0.00 0.71 0.00 0.00 54.79 53.94 2pky n ASP 286 Cb 0.09 0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.83 2pky n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pky s ALA 287 N -2.60 3.02 0.00 2.24 0.00 -1.03 -4.80 121.76 118.58 2pky s ALA 287 Ca 0.14 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2pky s ALA 287 Cb 0.16 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2pky s ALA 287 CO 0.66 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2pky n GLY 288 N -0.18 2.53 0.32 0.00 0.00 -1.26 -1.01 105.19 105.59 2pky n GLY 288 Ca 0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 2pky n GLY 288 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pky h HIS 289 N 0.00 1.11 -2.38 1.61 2.76 -1.87 -3.32 115.15 113.06 2pky h HIS 289 Ca 0.00 -0.07 -0.74 0.00 -2.20 0.00 0.00 60.37 57.36 2pky h HIS 289 Cb 0.00 -0.34 -0.19 0.00 1.55 0.00 0.00 27.41 28.43 2pky h HIS 289 CO 0.00 0.83 1.16 -0.06 -1.30 0.00 0.00 177.93 178.56 2pky s PHE 290 N -5.63 3.53 0.58 5.26 0.08 -1.26 -4.78 117.98 115.76 2pky s PHE 290 Ca -0.13 -2.08 0.28 0.00 0.12 0.00 0.00 56.93 55.13 2pky s PHE 290 Cb 0.15 -4.25 1.67 0.00 -0.57 0.00 0.00 43.02 40.02 2pky s PHE 290 CO 0.82 -1.36 2.13 0.28 -0.10 0.00 0.00 175.22 177.00 2pky h VAL 291 N 4.74 0.51 0.00 -0.44 2.07 -1.96 -2.10 116.25 119.07 2pky h VAL 291 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2pky h VAL 291 Cb 0.90 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2pky h VAL 291 CO 1.19 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.78 2pky n GLN 292 N -3.86 0.12 0.00 1.57 3.00 -1.26 -0.78 117.38 116.16 2pky n GLN 292 Ca 0.01 0.52 0.14 0.00 -0.01 0.00 0.00 57.00 57.66 2pky n GLN 292 Cb 0.27 -1.81 0.75 0.00 0.00 0.00 0.00 30.24 29.44 2pky n GLN 292 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2pky n GLU 293 N -2.05 0.43 -1.18 -1.09 -0.58 -0.79 -0.28 120.64 115.10 2pky n GLU 293 Ca 0.00 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 2pky n GLU 293 Cb 0.09 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.60 2pky n GLU 293 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2pky n PHE 294 N -1.28 2.06 -0.14 -0.32 3.01 0.04 -4.88 117.46 115.96 2pky n PHE 294 Ca 0.14 -2.01 -0.07 0.00 1.01 0.00 0.00 57.45 56.52 2pky n PHE 294 Cb 0.23 -0.71 0.10 0.00 -0.01 0.00 0.00 39.48 39.09 2pky n PHE 294 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pky h GLY 295 N 1.38 0.95 0.93 1.37 0.00 -0.67 -2.01 103.07 105.03 2pky h GLY 295 Ca 0.38 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2pky h GLY 295 CO 0.78 0.64 -0.10 -2.09 0.00 0.00 0.00 176.54 175.77 2pky h GLU 296 N 0.80 -0.24 -0.20 4.80 4.81 -1.81 0.15 114.58 122.90 2pky h GLU 296 Ca 0.14 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2pky h GLU 296 Cb 0.56 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2pky h GLU 296 CO 0.03 -0.16 -0.15 0.37 -0.73 0.00 0.00 179.01 178.38 2pky h GLN 297 N -0.25 -0.14 -0.32 1.92 4.15 -1.90 -0.86 115.11 117.71 2pky h GLN 297 Ca -0.01 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2pky h GLN 297 Cb 0.21 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2pky h GLN 297 CO 0.00 -0.10 0.19 0.28 -1.93 0.00 0.00 178.83 177.28 2pky h VAL 298 N -0.15 1.03 -0.57 2.39 2.07 -1.09 0.46 116.25 120.40 2pky h VAL 298 Ca 0.12 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2pky h VAL 298 Cb 0.32 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2pky h VAL 298 CO -0.29 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.63 2pky h ALA 299 N 1.14 0.74 -0.56 1.67 0.00 -0.67 0.13 119.26 121.71 2pky h ALA 299 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2pky h ALA 299 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2pky h ALA 299 CO -0.06 0.32 0.21 0.00 0.00 0.00 0.00 179.25 179.72 2pky h ARG 300 N 0.78 0.85 -0.38 0.00 3.08 -0.81 -1.43 114.38 116.47 2pky h ARG 300 Ca 0.19 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2pky h ARG 300 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2pky h ARG 300 CO -0.02 0.75 -0.29 0.93 -1.07 0.00 0.00 179.97 180.26 2pky h GLU 301 N 0.78 0.82 -0.26 0.04 4.39 -0.61 -2.08 114.58 117.65 2pky h GLU 301 Ca 0.19 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2pky h GLU 301 Cb 0.22 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2pky h GLU 301 CO -0.01 1.00 0.15 0.00 -1.16 0.00 0.00 179.01 178.99 2pky h ALA 302 N 0.97 0.34 -0.69 3.43 0.00 -0.79 -0.20 119.26 122.32 2pky h ALA 302 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pky h ALA 302 Cb 0.83 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2pky h ALA 302 CO 0.07 -0.14 0.45 -0.07 0.00 0.00 0.00 179.25 179.56 2pky h LEU 303 N 0.32 0.77 -0.30 0.00 3.38 -1.16 -0.57 115.31 117.76 2pky h LEU 303 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2pky h LEU 303 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2pky h LEU 303 CO -0.02 0.55 0.15 0.11 0.09 0.00 0.00 178.44 179.32 2pky h LYS 304 N 0.91 0.42 -0.26 1.13 1.57 -1.15 -1.21 116.57 117.98 2pky h LYS 304 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2pky h LYS 304 Cb -0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2pky h LYS 304 CO -0.07 0.38 0.17 1.25 -0.57 0.00 0.00 179.45 180.61 2pky h HIS 305 N 0.35 0.32 -0.83 -1.35 2.76 -0.53 -0.04 115.15 115.84 2pky h HIS 305 Ca 0.10 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2pky h HIS 305 Cb 0.09 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 2pky h HIS 305 CO -0.02 0.20 0.43 0.74 -1.30 0.00 0.00 177.93 177.98 2pky h PHE 306 N 0.35 1.15 0.00 5.26 0.04 -1.02 -2.55 116.94 120.16 2pky h PHE 306 Ca 0.10 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2pky h PHE 306 Cb -0.03 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.74 2pky h PHE 306 CO -0.06 0.81 -0.34 0.00 -0.60 0.00 0.00 178.31 178.11 2pky h ALA 307 N 1.31 1.13 0.00 2.45 0.00 -0.64 -3.19 119.26 120.33 2pky h ALA 307 Ca 0.29 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2pky h ALA 307 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2pky h ALA 307 CO -0.04 0.42 -0.52 0.93 0.00 0.00 0.00 179.25 180.04 2pky h GLU 308 N 0.00 0.00 -0.01 0.00 5.08 -0.61 -3.51 114.58 115.53 2pky h GLU 308 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pky h GLU 308 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2pky h GLU 308 CO 0.04 0.16 0.00 0.25 -1.00 0.00 0.00 179.01 178.46