#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipk n GLU 4 N 0.00 0.00 -4.02 5.31 1.02 -1.26 -5.13 120.64 116.56 2ipk n GLU 4 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2ipk n GLU 4 Cb 0.00 -0.22 -0.11 0.00 -0.02 0.00 0.00 31.44 31.09 2ipk n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2ipk s HIS 5 N -2.00 0.44 -0.04 -0.32 3.76 -1.26 -5.06 115.29 110.81 2ipk s HIS 5 Ca 0.00 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2ipk s HIS 5 Cb 0.00 -0.29 0.02 0.00 1.11 0.00 0.00 32.58 33.43 2ipk s HIS 5 CO 0.00 -0.16 -0.04 0.08 -0.85 0.00 0.00 174.74 173.77 2ipk s VAL 6 N -1.63 0.51 -0.13 -0.90 1.01 -1.26 -5.03 120.40 112.98 2ipk s VAL 6 Ca -0.12 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2ipk s VAL 6 Cb -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 2ipk s VAL 6 CO -0.01 0.22 -0.16 -0.63 0.00 0.00 0.00 175.10 174.52 2ipk s ILE 7 N 0.91 2.80 -0.07 2.22 1.01 -1.26 -1.10 121.20 125.71 2ipk s ILE 7 Ca -0.11 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.83 2ipk s ILE 7 Cb -0.14 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2ipk s ILE 7 CO 0.00 0.53 -0.18 -0.63 0.00 0.00 0.00 174.94 174.66 2ipk s ILE 8 N 0.40 1.57 -0.36 2.92 1.01 0.61 -4.96 121.20 122.40 2ipk s ILE 8 Ca -0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2ipk s ILE 8 Cb -0.16 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 2ipk s ILE 8 CO 0.06 0.45 0.24 -1.58 0.00 0.00 0.00 174.94 174.10 2ipk s GLN 9 N 0.35 3.25 -0.05 2.79 0.74 -1.26 -0.22 119.66 125.26 2ipk s GLN 9 Ca -0.13 -0.80 0.06 0.00 0.05 0.00 0.00 55.36 54.54 2ipk s GLN 9 Cb -0.15 -3.80 -0.01 0.00 1.10 0.00 0.00 33.01 30.15 2ipk s GLN 9 CO 0.05 -0.55 -0.22 0.00 -0.55 0.00 0.00 175.29 174.03 2ipk s ALA 10 N 1.67 1.87 0.06 1.58 0.00 0.43 -4.99 121.76 122.38 2ipk s ALA 10 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2ipk s ALA 10 Cb -0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2ipk s ALA 10 CO 0.09 0.37 0.04 -1.83 0.00 0.00 0.00 175.76 174.43 2ipk s GLU 11 N -0.14 0.69 0.16 0.00 -1.05 -1.26 -0.99 118.70 116.11 2ipk s GLU 11 Ca -0.02 -1.13 -0.23 0.00 -0.15 0.00 0.00 54.97 53.44 2ipk s GLU 11 Cb -0.12 0.25 0.07 0.00 -0.44 0.00 0.00 34.13 33.89 2ipk s GLU 11 CO 0.02 -0.16 0.59 -0.59 0.95 0.00 0.00 175.26 176.07 2ipk s PHE 12 N -3.90 -0.52 -0.01 4.83 -0.12 -0.69 -4.97 117.98 112.60 2ipk s PHE 12 Ca 0.06 0.30 0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2ipk s PHE 12 Cb 0.07 0.55 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 2ipk s PHE 12 CO -0.10 -0.84 -0.02 -0.47 -0.05 0.00 0.00 175.22 173.73 2ipk s TYR 13 N -3.75 0.32 -0.08 3.49 5.04 -1.26 -1.42 117.35 119.68 2ipk s TYR 13 Ca 0.01 -0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2ipk s TYR 13 Cb -0.01 -0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.03 2ipk s TYR 13 CO -0.13 -0.05 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.71 2ipk s LEU 14 N 0.33 1.71 0.11 6.97 2.96 0.35 -4.99 118.68 126.12 2ipk s LEU 14 Ca -0.03 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2ipk s LEU 14 Cb -0.06 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2ipk s LEU 14 CO -0.01 0.04 0.03 0.20 -1.32 0.00 0.00 176.35 175.30 2ipk s ASN 15 N 0.75 5.16 0.00 3.68 0.01 -1.26 0.22 114.94 123.50 2ipk s ASN 15 Ca -0.12 -0.17 0.12 0.00 -0.71 0.00 0.00 52.86 51.98 2ipk s ASN 15 Cb -0.16 -1.26 0.36 0.00 0.41 0.00 0.00 41.25 40.60 2ipk s ASN 15 CO 0.03 0.15 1.29 -0.81 -1.51 0.00 0.00 177.10 176.25 2ipk n PRO 16 N 0.32 1.85 0.30 -0.60 -0.04 -1.26 -4.86 135.00 130.71 2ipk n PRO 16 Ca -0.10 -1.32 0.19 0.00 -0.04 0.00 0.00 63.50 62.23 2ipk n PRO 16 Cb 0.53 -1.30 0.89 0.00 -0.04 0.00 0.00 33.50 33.58 2ipk n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2ipk h ASP 17 N 2.18 0.00 -3.38 3.54 5.19 -2.00 -3.46 116.42 118.49 2ipk h ASP 17 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 2ipk h ASP 17 Cb 0.50 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.02 2ipk h ASP 17 CO 0.00 0.01 -0.52 0.00 -3.12 0.00 0.00 179.24 175.61 2ipk n GLN 18 N -3.12 -2.94 -3.82 3.56 6.02 0.13 -4.97 117.38 112.23 2ipk n GLN 18 Ca -0.01 0.88 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 2ipk n GLN 18 Cb 0.22 -5.50 -0.06 0.00 1.02 0.00 0.00 30.24 25.92 2ipk n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ipk s SER 19 N -2.43 6.46 0.07 1.08 1.04 -1.03 -4.90 113.70 113.99 2ipk s SER 19 Ca 0.13 0.54 0.02 0.00 0.48 0.00 0.00 55.95 57.12 2ipk s SER 19 Cb -0.06 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.93 2ipk s SER 19 CO 0.16 0.38 -0.07 -0.83 0.98 0.00 0.00 173.24 173.87 2ipk s GLY 20 N -1.12 0.63 -0.02 7.32 0.00 -1.26 -0.49 107.32 112.37 2ipk s GLY 20 Ca 0.18 -1.06 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 2ipk s GLY 20 CO 0.07 -1.14 0.31 1.85 0.00 0.00 0.00 173.10 174.19 2ipk s GLU 21 N -2.73 0.65 -0.12 2.90 2.12 -0.51 -4.94 118.70 116.09 2ipk s GLU 21 Ca 0.01 -0.17 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2ipk s GLU 21 Cb -0.02 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.72 2ipk s GLU 21 CO -0.02 -0.18 0.24 0.12 -0.54 0.00 0.00 175.26 174.88 2ipk s PHE 22 N -1.26 -0.36 0.14 5.30 2.19 -1.26 -1.70 117.98 121.03 2ipk s PHE 22 Ca -0.13 0.87 -0.15 0.00 0.33 0.00 0.00 56.93 57.85 2ipk s PHE 22 Cb -0.05 -0.07 0.02 0.00 -1.31 0.00 0.00 43.02 41.61 2ipk s PHE 22 CO 0.04 -0.32 0.40 0.00 1.83 0.00 0.00 175.22 177.17 2ipk s MET 23 N 2.22 1.14 -0.02 10.12 0.23 -0.16 -1.37 119.30 131.46 2ipk s MET 23 Ca -0.00 -0.83 0.06 0.00 -1.03 0.00 0.00 55.69 53.89 2ipk s MET 23 Cb -0.12 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 2ipk s MET 23 CO -0.08 -0.45 -0.18 -0.06 -2.03 0.00 0.00 175.02 172.22 2ipk s PHE 24 N -3.85 2.56 -0.02 3.16 0.40 -0.46 -0.43 117.98 119.35 2ipk s PHE 24 Ca 0.06 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 2ipk s PHE 24 Cb 0.02 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.99 2ipk s PHE 24 CO -0.08 0.14 -0.11 0.34 0.70 0.00 0.00 175.22 176.21 2ipk s ASP 25 N -0.89 1.39 -0.19 1.36 -1.08 0.69 -0.86 116.67 117.08 2ipk s ASP 25 Ca 0.12 -0.22 0.01 0.00 -0.52 0.00 0.00 52.55 51.94 2ipk s ASP 25 Cb -0.10 -0.26 0.04 0.00 -1.46 0.00 0.00 42.92 41.13 2ipk s ASP 25 CO 0.01 0.11 -0.12 0.12 0.52 0.00 0.00 175.17 175.82 2ipk s PHE 26 N -0.06 2.49 -1.65 -5.34 5.36 0.67 -0.28 117.98 119.16 2ipk s PHE 26 Ca 0.01 -1.60 -0.17 0.00 -0.96 0.00 0.00 56.93 54.20 2ipk s PHE 26 Cb -0.07 -1.68 0.14 0.00 -0.34 0.00 0.00 43.02 41.06 2ipk s PHE 26 CO 0.00 -0.75 0.85 -0.25 -1.46 0.00 0.00 175.22 173.61 2ipk n ASP 27 N 4.67 -3.74 0.00 6.13 8.00 -0.26 -0.98 116.55 130.37 2ipk n ASP 27 Ca -0.16 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2ipk n ASP 27 Cb 0.47 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 2ipk n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ipk n GLY 28 N -1.49 2.25 3.78 0.44 0.00 -1.26 -5.04 105.19 103.87 2ipk n GLY 28 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2ipk n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ipk s ASP 29 N -1.95 5.87 0.13 1.61 1.01 -0.16 -5.04 116.67 118.14 2ipk s ASP 29 Ca 0.00 0.31 -0.31 0.00 0.71 0.00 0.00 52.55 53.26 2ipk s ASP 29 Cb 0.00 -1.83 -0.08 0.00 1.01 0.00 0.00 42.92 42.03 2ipk s ASP 29 CO 0.00 0.37 1.30 -0.70 0.21 0.00 0.00 175.17 176.36 2ipk s GLU 30 N -0.83 4.38 -0.21 8.23 2.12 -1.26 -0.24 118.70 130.89 2ipk s GLU 30 Ca 0.13 1.98 -0.20 0.00 0.36 0.00 0.00 54.97 57.24 2ipk s GLU 30 Cb -0.12 -3.25 -0.19 0.00 0.26 0.00 0.00 34.13 30.83 2ipk s GLU 30 CO 0.03 -0.30 0.18 -0.89 -0.54 0.00 0.00 175.26 173.74 2ipk n ILE 31 N 3.41 1.55 -3.67 -3.70 5.41 -0.04 -4.51 119.36 117.81 2ipk n ILE 31 Ca 0.09 -0.09 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 2ipk n ILE 31 Cb 0.44 -2.01 -0.02 0.00 -0.71 0.00 0.00 39.64 37.34 2ipk n ILE 31 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2ipk s PHE 32 N -2.38 -0.21 0.16 1.39 -0.12 -1.22 -1.02 117.98 114.58 2ipk s PHE 32 Ca -0.29 -0.04 -0.01 0.00 -0.05 0.00 0.00 56.93 56.53 2ipk s PHE 32 Cb 0.07 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 2ipk s PHE 32 CO 0.60 -0.75 0.10 -3.38 -0.05 0.00 0.00 175.22 171.74 2ipk s HIS 33 N -3.26 0.97 -0.18 3.49 -3.43 -0.69 -1.36 115.29 110.84 2ipk s HIS 33 Ca 0.10 -1.28 -0.04 0.00 -0.80 0.00 0.00 55.06 53.04 2ipk s HIS 33 Cb -0.01 -0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 2ipk s HIS 33 CO -0.02 -0.58 -0.02 0.08 -2.00 0.00 0.00 174.74 172.19 2ipk s VAL 34 N -4.09 3.88 -0.42 -5.38 1.01 -0.47 -0.57 120.40 114.36 2ipk s VAL 34 Ca 0.30 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2ipk s VAL 34 Cb 0.07 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2ipk s VAL 34 CO 0.06 0.47 1.35 -0.62 0.00 0.00 0.00 175.10 176.36 2ipk s ASP 35 N 0.66 6.42 0.45 3.32 -1.08 -0.01 -4.65 116.67 121.78 2ipk s ASP 35 Ca -0.02 0.79 0.17 0.00 -0.52 0.00 0.00 52.55 52.98 2ipk s ASP 35 Cb -0.14 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.84 2ipk s ASP 35 CO 0.02 -1.37 1.98 0.24 0.52 0.00 0.00 175.17 176.56 2ipk h MET 36 N 10.32 0.00 0.17 4.34 2.86 -1.92 0.30 114.93 131.01 2ipk h MET 36 Ca -0.27 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.09 2ipk h MET 36 Cb 1.10 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.77 2ipk h MET 36 CO 1.09 0.20 -1.33 0.00 1.06 0.00 0.00 176.91 177.93 2ipk h ALA 37 N 1.80 0.01 0.00 6.32 0.00 -1.97 -3.33 119.26 122.09 2ipk h ALA 37 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2ipk h ALA 37 Cb 0.38 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ipk h ALA 37 CO 0.03 0.70 -0.46 1.63 0.00 0.00 0.00 179.25 181.15 2ipk n LYS 38 N -3.87 0.13 -3.46 0.00 5.02 -1.19 -4.96 118.16 109.83 2ipk n LYS 38 Ca -0.20 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 2ipk n LYS 38 Cb 0.96 -1.59 0.08 0.00 -0.02 0.00 0.00 35.03 34.47 2ipk n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ipk n LYS 39 N -1.78 -6.39 -3.86 1.97 5.02 0.10 -5.01 118.16 108.21 2ipk n LYS 39 Ca 0.05 0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 57.07 2ipk n LYS 39 Cb 0.38 -5.78 -0.08 0.00 -0.02 0.00 0.00 35.03 29.53 2ipk n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ipk s GLU 40 N -5.43 0.78 0.13 1.97 -1.05 -1.13 -4.58 118.70 109.38 2ipk s GLU 40 Ca 0.00 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.67 2ipk s GLU 40 Cb -0.00 0.32 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 2ipk s GLU 40 CO 0.74 -0.23 1.00 0.99 0.95 0.00 0.00 175.26 178.71 2ipk s THR 41 N -3.41 4.32 -0.27 1.83 2.01 -1.26 -0.83 115.64 118.04 2ipk s THR 41 Ca 0.01 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.98 2ipk s THR 41 Cb 0.03 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.36 2ipk s THR 41 CO -0.08 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.37 2ipk s VAL 42 N -0.05 2.32 0.35 3.82 1.01 0.27 -4.92 120.40 123.20 2ipk s VAL 42 Ca 0.48 -1.60 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 2ipk s VAL 42 Cb -0.25 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 2ipk s VAL 42 CO 0.31 -0.05 0.99 0.26 0.00 0.00 0.00 175.10 176.61 2ipk s TRP 43 N 1.12 3.51 0.15 5.22 0.52 -1.26 -1.71 118.94 126.49 2ipk s TRP 43 Ca -0.08 1.72 -0.12 0.00 0.02 0.00 0.00 56.10 57.64 2ipk s TRP 43 Cb -0.20 -3.01 0.02 0.00 -1.15 0.00 0.00 33.47 29.13 2ipk s TRP 43 CO -0.04 -0.15 1.59 -0.09 0.02 0.00 0.00 176.95 178.28 2ipk h ARG 44 N 2.88 0.90 -6.31 4.98 9.65 -1.31 -3.42 114.38 121.75 2ipk h ARG 44 Ca -0.47 -0.30 -0.69 0.00 -1.10 0.00 0.00 59.98 57.41 2ipk h ARG 44 Cb 1.20 -0.07 -0.31 0.00 -1.39 0.00 0.00 29.97 29.40 2ipk h ARG 44 CO 0.64 0.95 -0.89 -0.51 2.80 0.00 0.00 179.97 182.96 2ipk s LEU 45 N -9.33 2.06 0.27 3.80 1.43 -1.26 -5.04 118.68 110.60 2ipk s LEU 45 Ca -0.12 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2ipk s LEU 45 Cb 0.12 -1.34 0.58 0.00 0.03 0.00 0.00 46.19 45.58 2ipk s LEU 45 CO 0.83 0.28 1.74 -0.08 0.23 0.00 0.00 176.35 179.36 2ipk h GLU 46 N 5.76 0.54 -0.98 1.70 4.22 -1.99 -2.41 114.58 121.41 2ipk h GLU 46 Ca -0.38 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.18 2ipk h GLU 46 Cb 1.15 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.18 2ipk h GLU 46 CO 0.47 0.36 0.60 1.05 -2.18 0.00 0.00 179.01 179.31 2ipk h GLU 47 N 0.56 0.82 -0.79 1.92 4.11 -1.97 -2.46 114.58 116.76 2ipk h GLU 47 Ca 0.49 -0.05 0.14 0.00 0.07 0.00 0.00 59.36 60.01 2ipk h GLU 47 Cb 0.76 -0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 2ipk h GLU 47 CO -0.41 0.54 0.36 0.74 0.07 0.00 0.00 179.01 180.32 2ipk h PHE 48 N 0.85 0.63 0.00 2.06 0.04 -1.84 -0.07 116.94 118.60 2ipk h PHE 48 Ca 0.53 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.34 2ipk h PHE 48 Cb 0.69 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2ipk h PHE 48 CO -0.01 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.23 2ipk n GLY 49 N -1.32 -0.55 0.01 -1.45 0.00 -0.93 -1.47 105.19 99.48 2ipk n GLY 49 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2ipk n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ipk n ARG 50 N -1.37 0.50 -0.00 1.61 1.74 -0.05 -4.42 116.66 114.67 2ipk n ARG 50 Ca 0.02 -0.13 0.07 0.00 -0.77 0.00 0.00 57.85 57.04 2ipk n ARG 50 Cb 0.05 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 2ipk n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ipk n PHE 51 N -2.11 0.00 -3.97 -1.55 3.72 -0.54 -5.04 117.46 107.96 2ipk n PHE 51 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2ipk n PHE 51 Cb 0.51 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 2ipk n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ipk s ALA 52 N -2.58 -0.29 0.22 4.37 0.00 -0.76 -5.12 121.76 117.58 2ipk s ALA 52 Ca 0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2ipk s ALA 52 Cb 0.11 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 2ipk s ALA 52 CO 0.61 -0.84 0.17 -1.54 0.00 0.00 0.00 175.76 174.16 2ipk s SER 53 N -3.00 0.29 -0.23 0.00 1.04 -1.26 -4.53 113.70 106.01 2ipk s SER 53 Ca 0.21 -1.40 -0.19 0.00 0.48 0.00 0.00 55.95 55.05 2ipk s SER 53 Cb -0.01 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.59 2ipk s SER 53 CO 0.07 -0.89 0.59 0.12 0.98 0.00 0.00 173.24 174.12 2ipk s PHE 54 N -4.07 -0.69 -1.04 5.02 5.36 -1.26 -5.10 117.98 116.21 2ipk s PHE 54 Ca 0.38 1.63 -0.22 0.00 -0.96 0.00 0.00 56.93 57.77 2ipk s PHE 54 Cb 0.06 0.27 0.07 0.00 -0.34 0.00 0.00 43.02 43.08 2ipk s PHE 54 CO 0.13 -0.34 1.42 -2.00 -1.46 0.00 0.00 175.22 172.98 2ipk s GLU 55 N 0.52 3.64 0.26 10.12 2.56 -1.26 -4.79 118.70 129.75 2ipk s GLU 55 Ca -0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 54.97 53.59 2ipk s GLU 55 Cb -0.05 -5.30 0.52 0.00 2.00 0.00 0.00 34.13 31.31 2ipk s GLU 55 CO -0.02 -2.13 1.76 0.00 -0.56 0.00 0.00 175.26 174.31 2ipk h ALA 56 N 9.36 1.25 -0.10 6.30 0.00 -1.93 -1.14 119.26 132.99 2ipk h ALA 56 Ca 0.22 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2ipk h ALA 56 Cb 1.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ipk h ALA 56 CO 1.37 -0.09 0.19 1.96 0.00 0.00 0.00 179.25 182.68 2ipk h GLN 57 N 0.61 0.00 0.00 0.00 1.08 -1.90 0.60 115.11 115.51 2ipk h GLN 57 Ca 0.45 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.57 2ipk h GLN 57 Cb 0.63 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2ipk h GLN 57 CO -0.36 0.00 -0.41 0.78 -0.95 0.00 0.00 178.83 177.89 2ipk h GLY 58 N 0.00 0.00 1.53 3.46 0.00 -1.62 -2.63 103.07 103.81 2ipk h GLY 58 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2ipk h GLY 58 CO -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 2ipk h ALA 59 N 1.59 0.99 -0.57 3.60 0.00 -0.99 -2.86 119.26 121.02 2ipk h ALA 59 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2ipk h ALA 59 Cb 0.85 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2ipk h ALA 59 CO 0.05 0.60 0.28 -0.07 0.00 0.00 0.00 179.25 180.12 2ipk h LEU 60 N 0.47 0.71 -0.47 0.00 -0.00 -1.49 -1.50 115.31 113.03 2ipk h LEU 60 Ca 0.06 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2ipk h LEU 60 Cb 0.76 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2ipk h LEU 60 CO 0.06 0.60 0.28 0.00 -0.00 0.00 0.00 178.44 179.38 2ipk h ALA 61 N 1.52 0.59 -0.64 1.53 0.00 -1.47 -2.33 119.26 118.45 2ipk h ALA 61 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2ipk h ALA 61 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2ipk h ALA 61 CO -0.03 0.08 0.28 -0.91 0.00 0.00 0.00 179.25 178.67 2ipk h ASN 62 N 0.62 0.87 -0.35 0.00 4.21 -1.35 -2.74 115.58 116.84 2ipk h ASN 62 Ca 0.17 -0.16 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2ipk h ASN 62 Cb -0.01 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.95 2ipk h ASN 62 CO -0.03 0.78 0.14 0.40 -1.29 0.00 0.00 177.43 177.44 2ipk h ILE 63 N 0.89 1.16 -0.39 2.81 1.08 -1.03 0.30 117.51 122.33 2ipk h ILE 63 Ca 0.22 -0.52 -0.11 0.00 -0.39 0.00 0.00 64.86 64.06 2ipk h ILE 63 Cb 0.17 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 2ipk h ILE 63 CO -0.02 0.20 -0.17 0.00 -0.69 0.00 0.00 178.15 177.47 2ipk h ALA 64 N 1.59 0.55 -0.56 1.87 0.00 -1.21 -0.58 119.26 120.91 2ipk h ALA 64 Ca 0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2ipk h ALA 64 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ipk h ALA 64 CO -0.01 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 179.96 2ipk h VAL 65 N 0.61 1.26 -0.69 0.00 2.07 -1.05 -2.20 116.25 116.25 2ipk h VAL 65 Ca 0.09 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.47 2ipk h VAL 65 Cb 0.71 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2ipk h VAL 65 CO 0.05 0.41 0.45 0.44 0.02 0.00 0.00 177.57 178.95 2ipk h ASP 66 N 0.90 0.78 -0.40 0.57 3.32 -0.10 0.52 116.42 122.00 2ipk h ASP 66 Ca 0.16 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2ipk h ASP 66 Cb 0.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2ipk h ASP 66 CO 0.03 0.56 0.13 0.50 -1.72 0.00 0.00 179.24 178.74 2ipk h LYS 67 N 0.92 0.62 -0.65 3.56 3.64 -0.92 0.23 116.57 123.97 2ipk h LYS 67 Ca 0.26 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2ipk h LYS 67 Cb -0.09 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 2ipk h LYS 67 CO -0.06 0.62 0.40 0.00 -2.27 0.00 0.00 179.45 178.14 2ipk h ALA 68 N 0.98 0.84 -0.28 5.00 0.00 -0.96 -1.46 119.26 123.38 2ipk h ALA 68 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2ipk h ALA 68 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ipk h ALA 68 CO -0.00 0.16 -0.27 -0.91 0.00 0.00 0.00 179.25 178.22 2ipk h ASN 69 N 0.79 0.56 -0.55 0.00 2.35 -0.53 -2.39 115.58 115.80 2ipk h ASN 69 Ca 0.26 -0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2ipk h ASN 69 Cb 0.01 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 2ipk h ASN 69 CO -0.10 0.81 0.31 0.25 -1.65 0.00 0.00 177.43 177.05 2ipk h LEU 70 N 0.48 0.47 -1.01 1.61 5.85 0.47 -0.58 115.31 122.59 2ipk h LEU 70 Ca 0.06 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2ipk h LEU 70 Cb 0.72 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2ipk h LEU 70 CO 0.06 0.32 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.97 2ipk h GLU 71 N 0.60 0.50 -0.34 1.25 5.08 -1.13 0.16 114.58 120.70 2ipk h GLU 71 Ca 0.23 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2ipk h GLU 71 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2ipk h GLU 71 CO -0.14 0.66 0.03 0.82 -1.00 0.00 0.00 179.01 179.39 2ipk h ILE 72 N 0.46 1.25 -0.35 3.13 2.04 -0.94 -2.34 117.51 120.74 2ipk h ILE 72 Ca 0.08 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 2ipk h ILE 72 Cb 0.57 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2ipk h ILE 72 CO 0.04 0.29 -0.33 0.24 0.00 0.00 0.00 178.15 178.39 2ipk h MET 73 N 0.40 0.79 0.04 2.37 2.86 -0.72 -0.82 114.93 119.84 2ipk h MET 73 Ca 0.10 -0.37 0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2ipk h MET 73 Cb 0.39 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2ipk h MET 73 CO 0.01 1.00 -0.12 1.15 1.06 0.00 0.00 176.91 180.02 2ipk h THR 74 N 0.66 0.72 -0.48 2.22 2.02 -0.64 -1.02 112.91 116.40 2ipk h THR 74 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2ipk h THR 74 Cb 0.87 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2ipk h THR 74 CO 0.08 0.00 0.28 0.50 0.37 0.00 0.00 175.52 176.74 2ipk h LYS 75 N -0.22 0.66 0.00 6.66 3.64 -1.32 -0.04 116.57 125.95 2ipk h LYS 75 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2ipk h LYS 75 Cb 0.25 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2ipk h LYS 75 CO -0.09 0.50 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.43 2ipk h ARG 76 N 0.64 0.00 -0.37 1.90 2.43 -0.82 -1.20 114.38 116.96 2ipk h ARG 76 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2ipk h ARG 76 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2ipk h ARG 76 CO -0.03 0.07 0.00 -1.13 -1.51 0.00 0.00 179.97 177.37 2ipk n SER 77 N -3.81 2.49 -3.26 -3.80 3.41 -0.41 -4.91 113.62 103.33 2ipk n SER 77 Ca -0.02 -1.91 -0.19 0.00 -0.26 0.00 0.00 58.87 56.49 2ipk n SER 77 Cb 0.17 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 63.95 2ipk n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ipk n ASN 78 N 0.86 -4.59 -3.77 4.04 4.13 -0.45 -3.21 115.26 112.26 2ipk n ASN 78 Ca 0.17 -0.51 -0.23 0.00 1.68 0.00 0.00 54.58 55.69 2ipk n ASN 78 Cb 0.43 -4.63 0.02 0.00 -1.54 0.00 0.00 39.78 34.05 2ipk n ASN 78 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2ipk n TYR 79 N -4.44 -1.86 -2.62 3.10 4.02 -0.06 -4.92 117.16 110.38 2ipk n TYR 79 Ca -0.09 0.82 -0.43 0.00 -0.01 0.00 0.00 57.90 58.19 2ipk n TYR 79 Cb 0.59 -4.21 -0.02 0.00 -0.02 0.00 0.00 39.34 35.68 2ipk n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ipk s THR 80 N -3.73 4.45 0.68 -0.72 2.01 -1.20 -5.02 115.64 112.12 2ipk s THR 80 Ca 0.03 1.66 -0.11 0.00 0.31 0.00 0.00 61.69 63.58 2ipk s THR 80 Cb -0.02 -4.40 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 2ipk s THR 80 CO 0.83 -0.51 1.06 -2.16 -0.69 0.00 0.00 174.62 173.15 2ipk s PRO 81 N 3.75 3.11 0.50 4.92 0.04 -1.26 -5.03 135.00 141.03 2ipk s PRO 81 Ca 0.47 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 2ipk s PRO 81 Cb -0.12 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2ipk s PRO 81 CO 0.17 -0.91 1.04 -1.50 0.04 0.00 0.00 177.00 175.84 2ipk s ILE 82 N -3.20 3.84 -0.22 0.56 2.07 -1.26 -5.02 121.20 117.97 2ipk s ILE 82 Ca 0.57 1.09 -0.18 0.00 -1.41 0.00 0.00 60.65 60.72 2ipk s ILE 82 Cb -0.12 -3.45 -0.03 0.00 0.13 0.00 0.00 42.46 38.99 2ipk s ILE 82 CO 0.54 -0.30 0.52 -0.89 -1.91 0.00 0.00 174.94 172.90 2ipk s THR 83 N -2.08 5.09 0.32 4.00 2.01 -1.26 -5.03 115.64 118.68 2ipk s THR 83 Ca 0.66 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 2ipk s THR 83 Cb -0.16 -3.84 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 2ipk s THR 83 CO 0.23 0.14 1.45 0.20 -0.69 0.00 0.00 174.62 175.95 2ipk s ASN 84 N 1.30 6.53 -0.20 3.53 0.01 -1.26 -4.71 114.94 120.14 2ipk s ASN 84 Ca 0.23 2.85 -0.01 0.00 -0.71 0.00 0.00 52.86 55.22 2ipk s ASN 84 Cb -0.15 -2.65 0.05 0.00 0.41 0.00 0.00 41.25 38.91 2ipk s ASN 84 CO 0.09 -0.75 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.21 2ipk s VAL 85 N -0.65 1.15 0.48 1.60 1.01 0.32 -4.85 120.40 119.45 2ipk s VAL 85 Ca 0.55 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2ipk s VAL 85 Cb -0.44 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 2ipk s VAL 85 CO 0.53 -0.04 1.32 -2.16 0.00 0.00 0.00 175.10 174.75 2ipk s PRO 86 N 1.59 3.52 0.49 2.72 0.04 -1.26 -2.14 135.00 139.95 2ipk s PRO 86 Ca -0.02 2.16 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 2ipk s PRO 86 Cb -0.17 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 2ipk s PRO 86 CO -0.07 -0.86 0.94 -1.25 0.04 0.00 0.00 177.00 175.80 2ipk s PRO 87 N -2.65 3.93 -0.10 0.56 0.04 -1.26 -4.60 135.00 130.92 2ipk s PRO 87 Ca 0.65 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 2ipk s PRO 87 Cb -0.38 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2ipk s PRO 87 CO 0.47 -0.21 0.41 -1.21 0.04 0.00 0.00 177.00 176.50 2ipk s GLU 88 N -3.98 4.20 -0.06 4.56 2.02 0.17 -4.89 118.70 120.71 2ipk s GLU 88 Ca 0.58 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.96 2ipk s GLU 88 Cb -0.10 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 2ipk s GLU 88 CO 0.30 0.33 -0.23 0.08 0.02 0.00 0.00 175.26 175.77 2ipk s VAL 89 N 0.10 2.27 -0.01 2.63 1.01 -1.26 -0.96 120.40 124.18 2ipk s VAL 89 Ca 0.23 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2ipk s VAL 89 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.40 2ipk s VAL 89 CO 0.09 0.57 -0.01 -0.89 0.00 0.00 0.00 175.10 174.86 2ipk s THR 90 N -0.24 0.17 -0.13 3.92 2.01 -0.46 -4.99 115.64 115.90 2ipk s THR 90 Ca -0.01 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 2ipk s THR 90 Cb -0.13 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 2ipk s THR 90 CO 0.03 0.08 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.23 2ipk s VAL 91 N 0.35 3.09 0.21 3.82 1.01 -1.26 -0.09 120.40 127.53 2ipk s VAL 91 Ca -0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2ipk s VAL 91 Cb -0.06 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2ipk s VAL 91 CO -0.01 0.52 0.33 -0.76 0.00 0.00 0.00 175.10 175.18 2ipk s LEU 92 N 0.39 0.72 0.17 3.92 1.43 -0.23 -4.97 118.68 120.10 2ipk s LEU 92 Ca -0.10 -1.06 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 2ipk s LEU 92 Cb -0.16 1.21 -0.04 0.00 0.03 0.00 0.00 46.19 47.23 2ipk s LEU 92 CO 0.05 -0.99 0.20 0.42 0.23 0.00 0.00 176.35 176.25 2ipk s THR 93 N -4.05 4.77 -0.74 5.49 -4.23 -1.26 0.14 115.64 115.76 2ipk s THR 93 Ca 0.27 -0.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 2ipk s THR 93 Cb 0.03 -3.46 0.28 0.00 1.34 0.00 0.00 72.50 70.68 2ipk s THR 93 CO 0.08 -0.13 0.93 -0.46 -0.54 0.00 0.00 174.62 174.50 2ipk n ASN 94 N -0.52 2.61 0.00 3.99 6.94 -0.70 -4.85 115.26 122.73 2ipk n ASN 94 Ca -0.08 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 2ipk n ASN 94 Cb 0.55 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 2ipk n ASN 94 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2ipk n SER 95 N 0.21 0.00 -4.62 0.53 3.41 -1.26 -4.99 113.62 106.89 2ipk n SER 95 Ca 0.10 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.18 2ipk n SER 95 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 2ipk n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ipk n PRO 96 N -0.15 1.27 -2.51 4.33 -0.04 -1.26 -4.88 135.00 131.76 2ipk n PRO 96 Ca 0.00 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 2ipk n PRO 96 Cb 0.00 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.29 2ipk n PRO 96 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ipk s VAL 97 N 1.16 3.71 -0.03 0.52 0.11 -1.26 -5.05 120.40 119.56 2ipk s VAL 97 Ca 0.87 1.59 0.01 0.00 -2.93 0.00 0.00 61.98 61.51 2ipk s VAL 97 Cb -0.94 -4.01 0.02 0.00 -1.53 0.00 0.00 36.38 29.92 2ipk s VAL 97 CO 0.49 0.32 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.95 2ipk s GLU 98 N -0.87 0.51 0.08 1.54 0.41 -1.26 -5.10 118.70 114.00 2ipk s GLU 98 Ca 0.47 -0.03 -0.36 0.00 -0.41 0.00 0.00 54.97 54.64 2ipk s GLU 98 Cb -0.30 -0.60 -0.16 0.00 -1.78 0.00 0.00 34.13 31.29 2ipk s GLU 98 CO 0.37 -0.08 1.43 1.28 -0.49 0.00 0.00 175.26 177.77 2ipk n LEU 99 N 3.93 2.04 0.00 1.80 4.77 -1.26 -1.42 117.00 126.86 2ipk n LEU 99 Ca -0.25 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 2ipk n LEU 99 Cb 0.52 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2ipk n LEU 99 CO 0.23 -0.83 0.00 0.54 -1.33 0.00 0.00 177.39 176.01 2ipk n ARG 100 N 2.98 -0.86 -3.66 3.23 1.74 -0.75 -4.98 116.66 114.35 2ipk n ARG 100 Ca 0.19 0.21 -0.37 0.00 -0.77 0.00 0.00 57.85 57.11 2ipk n ARG 100 Cb 0.21 -4.22 -0.10 0.00 -1.02 0.00 0.00 32.46 27.32 2ipk n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ipk s GLU 101 N -1.14 3.97 0.23 5.56 2.02 -0.51 -4.87 118.70 123.96 2ipk s GLU 101 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 2ipk s GLU 101 Cb 0.00 -3.54 -0.15 0.00 0.10 0.00 0.00 34.13 30.53 2ipk s GLU 101 CO 0.00 -0.05 0.93 -0.35 0.02 0.00 0.00 175.26 175.80 2ipk n PRO 102 N 4.62 0.91 -2.92 0.39 -0.04 -1.26 -4.32 135.00 132.38 2ipk n PRO 102 Ca -0.15 0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2ipk n PRO 102 Cb 0.52 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2ipk n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ipk n ASN 103 N 1.62 -1.02 -3.80 3.54 2.85 -0.72 -5.00 115.26 112.73 2ipk n ASN 103 Ca 0.13 -2.10 -0.17 0.00 -0.11 0.00 0.00 54.58 52.34 2ipk n ASN 103 Cb 0.27 1.81 -0.16 0.00 1.24 0.00 0.00 39.78 42.94 2ipk n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2ipk s VAL 104 N -2.60 0.12 -0.03 3.44 1.01 -1.26 -1.52 120.40 119.56 2ipk s VAL 104 Ca 0.15 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2ipk s VAL 104 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2ipk s VAL 104 CO 0.11 0.14 0.66 -0.76 0.00 0.00 0.00 175.10 175.25 2ipk s LEU 105 N 1.15 4.37 -0.16 3.92 1.43 0.27 -1.71 118.68 127.94 2ipk s LEU 105 Ca -0.08 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2ipk s LEU 105 Cb -0.13 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2ipk s LEU 105 CO -0.02 -0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 175.75 2ipk s ILE 106 N 0.33 2.56 -0.40 -0.59 1.01 0.36 -0.96 121.20 123.51 2ipk s ILE 106 Ca 0.35 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 2ipk s ILE 106 Cb -0.18 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.26 2ipk s ILE 106 CO 0.18 0.52 0.24 0.00 0.00 0.00 0.00 174.94 175.88 2ipk s PHE 108 N 1.51 3.16 -0.36 0.00 5.36 0.87 -1.79 117.98 126.73 2ipk s PHE 108 Ca 0.02 0.15 -0.09 0.00 -0.96 0.00 0.00 56.93 56.06 2ipk s PHE 108 Cb -0.21 -3.02 0.03 0.00 -0.34 0.00 0.00 43.02 39.48 2ipk s PHE 108 CO 0.05 -0.61 0.17 0.42 -1.46 0.00 0.00 175.22 173.79 2ipk s ILE 109 N 2.50 4.23 0.28 3.12 1.01 -0.38 -1.36 121.20 130.60 2ipk s ILE 109 Ca 0.20 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2ipk s ILE 109 Cb -0.15 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2ipk s ILE 109 CO 0.14 -0.22 -0.09 -0.62 0.00 0.00 0.00 174.94 174.15 2ipk s ASP 110 N 1.50 2.95 -1.30 3.58 2.15 -0.14 -0.72 116.67 124.70 2ipk s ASP 110 Ca 0.00 -1.15 -0.05 0.00 0.43 0.00 0.00 52.55 51.78 2ipk s ASP 110 Cb -0.19 -0.20 -0.00 0.00 -0.30 0.00 0.00 42.92 42.22 2ipk s ASP 110 CO 0.05 -0.26 0.62 0.29 -0.17 0.00 0.00 175.17 175.70 2ipk n LYS 111 N -0.58 -3.36 -4.27 4.34 5.02 -0.64 -0.66 118.16 118.01 2ipk n LYS 111 Ca -0.06 0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 56.59 2ipk n LYS 111 Cb 0.63 -4.70 -0.10 0.00 -0.02 0.00 0.00 35.03 30.83 2ipk n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2ipk s PHE 112 N -3.72 1.33 -0.15 2.13 -0.12 -1.07 -4.40 117.98 111.96 2ipk s PHE 112 Ca 0.13 -1.02 -0.30 0.00 -0.05 0.00 0.00 56.93 55.69 2ipk s PHE 112 Cb -0.04 -0.76 0.12 0.00 -0.63 0.00 0.00 43.02 41.70 2ipk s PHE 112 CO 0.85 -0.19 0.94 -0.08 -0.05 0.00 0.00 175.22 176.70 2ipk s THR 113 N -3.62 0.00 0.90 -4.49 -1.32 -0.91 0.11 115.64 106.31 2ipk s THR 113 Ca 0.27 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.63 2ipk s THR 113 Cb 0.06 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.18 2ipk s THR 113 CO 0.06 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.40 2ipk s PRO 114 N -0.97 1.18 -1.29 7.08 0.04 -1.26 -0.52 135.00 139.25 2ipk s PRO 114 Ca -0.03 0.80 -0.16 0.00 0.04 0.00 0.00 61.00 61.65 2ipk s PRO 114 Cb -0.01 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 2ipk s PRO 114 CO 0.02 -2.29 2.10 -0.35 0.04 0.00 0.00 177.00 176.53 2ipk n PRO 115 N -3.91 2.57 -3.64 0.56 -0.04 -1.26 -4.79 135.00 124.49 2ipk n PRO 115 Ca 0.07 -2.52 -0.13 0.00 -0.04 0.00 0.00 63.50 60.87 2ipk n PRO 115 Cb 0.55 -3.25 -0.13 0.00 -0.04 0.00 0.00 33.50 30.63 2ipk n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ipk s VAL 116 N 3.95 -0.43 -0.00 0.52 1.01 -1.26 -5.06 120.40 119.13 2ipk s VAL 116 Ca 0.51 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 2ipk s VAL 116 Cb 0.12 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2ipk s VAL 116 CO -0.02 0.09 0.24 0.54 0.00 0.00 0.00 175.10 175.95 2ipk s VAL 117 N 2.43 0.07 -0.21 2.92 0.11 -1.26 -4.73 120.40 119.74 2ipk s VAL 117 Ca 0.02 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2ipk s VAL 117 Cb -0.12 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2ipk s VAL 117 CO -0.09 -0.33 -0.15 0.21 -3.33 0.00 0.00 175.10 171.41 2ipk s ASN 118 N -1.45 3.63 -0.05 3.54 2.47 -0.66 -4.98 114.94 117.45 2ipk s ASN 118 Ca -0.13 -0.76 0.06 0.00 0.42 0.00 0.00 52.86 52.45 2ipk s ASN 118 Cb -0.06 -1.55 -0.01 0.00 -1.45 0.00 0.00 41.25 38.18 2ipk s ASN 118 CO 0.02 -0.05 -0.24 -0.69 -3.72 0.00 0.00 177.10 172.43 2ipk s VAL 119 N 1.29 2.19 -0.00 -5.21 1.01 -1.26 -0.60 120.40 117.81 2ipk s VAL 119 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2ipk s VAL 119 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2ipk s VAL 119 CO -0.09 0.57 -0.01 -0.89 0.00 0.00 0.00 175.10 174.68 2ipk s THR 120 N -0.31 0.08 -0.12 3.92 2.01 -0.09 -4.98 115.64 116.16 2ipk s THR 120 Ca 0.01 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2ipk s THR 120 Cb -0.13 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 2ipk s THR 120 CO 0.02 0.03 0.21 0.26 -0.69 0.00 0.00 174.62 174.45 2ipk s TRP 121 N 0.01 3.57 -0.09 4.92 0.52 -1.26 0.39 118.94 127.00 2ipk s TRP 121 Ca 0.00 0.59 0.03 0.00 0.02 0.00 0.00 56.10 56.74 2ipk s TRP 121 Cb -0.01 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2ipk s TRP 121 CO -0.00 0.58 -0.18 -0.51 0.02 0.00 0.00 176.95 176.87 2ipk s LEU 122 N -0.61 1.85 -0.33 2.99 1.43 0.78 -1.20 118.68 123.59 2ipk s LEU 122 Ca 0.16 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2ipk s LEU 122 Cb -0.13 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.01 2ipk s LEU 122 CO 0.05 0.08 0.07 -0.60 0.23 0.00 0.00 176.35 176.17 2ipk s ARG 123 N 0.64 2.47 -1.36 1.70 3.52 0.16 -0.76 118.95 125.33 2ipk s ARG 123 Ca -0.14 -1.29 -0.07 0.00 -0.13 0.00 0.00 55.73 54.11 2ipk s ARG 123 Cb -0.16 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2ipk s ARG 123 CO 0.04 -0.69 1.03 0.09 -0.81 0.00 0.00 175.30 174.96 2ipk n ASN 124 N 4.71 -4.30 0.00 -2.12 3.02 0.03 -1.51 115.26 115.09 2ipk n ASN 124 Ca -0.12 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2ipk n ASN 124 Cb 0.44 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2ipk n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ipk n GLY 125 N -1.68 0.65 3.39 7.41 0.00 -1.26 -5.02 105.19 108.68 2ipk n GLY 125 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2ipk n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ipk s LYS 126 N -0.27 2.55 0.31 1.61 1.02 -0.57 -5.03 119.74 119.36 2ipk s LYS 126 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 2ipk s LYS 126 Cb 0.00 -2.30 -0.13 0.00 -0.52 0.00 0.00 37.83 34.88 2ipk s LYS 126 CO 0.00 0.51 1.32 -2.30 -0.92 0.00 0.00 175.35 173.96 2ipk n PRO 127 N 2.62 2.07 -4.65 -1.68 -0.02 -1.26 0.39 135.00 132.48 2ipk n PRO 127 Ca -0.17 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2ipk n PRO 127 Cb 0.52 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 2ipk n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ipk s VAL 128 N -0.74 1.71 0.00 -1.45 1.01 -0.34 -4.80 120.40 115.79 2ipk s VAL 128 Ca 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2ipk s VAL 128 Cb -0.60 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2ipk s VAL 128 CO 0.58 0.48 0.85 0.41 0.00 0.00 0.00 175.10 177.42 2ipk n THR 129 N 4.03 0.72 -2.82 3.92 -1.04 -1.26 -4.47 114.28 113.35 2ipk n THR 129 Ca -0.20 -0.75 -0.43 0.00 -2.04 0.00 0.00 64.05 60.63 2ipk n THR 129 Cb 0.52 0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 69.65 2ipk n THR 129 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2ipk s THR 130 N -0.72 4.48 0.00 12.58 2.01 -1.26 -4.19 115.64 128.54 2ipk s THR 130 Ca 0.00 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2ipk s THR 130 Cb 0.00 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2ipk s THR 130 CO 0.00 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 173.71 2ipk n GLY 131 N 4.94 0.45 3.76 4.40 0.00 -1.26 -4.71 105.19 112.77 2ipk n GLY 131 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2ipk n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ipk s VAL 132 N -2.24 3.04 0.22 1.61 -7.23 -1.26 -4.52 120.40 110.02 2ipk s VAL 132 Ca 0.00 0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 60.65 2ipk s VAL 132 Cb 0.00 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2ipk s VAL 132 CO 0.00 -0.23 0.32 -0.94 -0.31 0.00 0.00 175.10 173.94 2ipk s SER 133 N -2.14 0.02 0.10 4.85 1.04 -0.78 -4.99 113.70 111.80 2ipk s SER 133 Ca 0.71 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 2ipk s SER 133 Cb -0.24 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.42 2ipk s SER 133 CO 0.36 -1.00 0.46 -1.83 0.98 0.00 0.00 173.24 172.21 2ipk s GLU 134 N -4.07 1.07 0.50 4.02 -1.05 -1.26 0.07 118.70 117.97 2ipk s GLU 134 Ca 0.29 -0.52 0.07 0.00 -0.15 0.00 0.00 54.97 54.66 2ipk s GLU 134 Cb 0.03 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.24 2ipk s GLU 134 CO 0.10 -0.41 0.68 0.95 0.95 0.00 0.00 175.26 177.52 2ipk s THR 135 N -3.32 2.66 0.19 1.83 -4.23 -0.32 -5.01 115.64 107.44 2ipk s THR 135 Ca -0.00 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2ipk s THR 135 Cb 0.01 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2ipk s THR 135 CO -0.09 0.00 0.26 1.33 -0.54 0.00 0.00 174.62 175.58 2ipk n VAL 136 N -2.07 0.00 -2.71 2.29 0.24 -1.26 -4.66 118.33 110.17 2ipk n VAL 136 Ca 0.11 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 2ipk n VAL 136 Cb 0.60 -1.65 -0.03 0.00 -1.47 0.00 0.00 33.84 31.28 2ipk n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2ipk s PHE 137 N -1.18 3.67 -0.04 6.34 0.08 -1.26 -4.64 117.98 120.95 2ipk s PHE 137 Ca 0.15 1.70 -0.01 0.00 0.12 0.00 0.00 56.93 58.90 2ipk s PHE 137 Cb -0.01 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 2ipk s PHE 137 CO 0.11 -0.01 0.04 -0.51 -0.10 0.00 0.00 175.22 174.74 2ipk s LEU 138 N 0.88 3.72 0.64 -0.37 1.43 -0.26 -4.93 118.68 119.80 2ipk s LEU 138 Ca 0.52 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 2ipk s LEU 138 Cb -0.21 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2ipk s LEU 138 CO 0.28 0.32 1.10 -2.16 0.23 0.00 0.00 176.35 176.12 2ipk s PRO 139 N -1.36 2.92 0.05 1.29 0.04 -1.26 -1.39 135.00 135.29 2ipk s PRO 139 Ca 0.18 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.60 2ipk s PRO 139 Cb -0.12 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2ipk s PRO 139 CO 0.08 -1.15 -0.10 1.03 0.04 0.00 0.00 177.00 176.91 2ipk s ARG 140 N -4.09 0.62 0.45 4.56 0.52 -1.10 -4.76 118.95 115.14 2ipk s ARG 140 Ca 0.66 -0.82 0.16 0.00 -0.52 0.00 0.00 55.73 55.22 2ipk s ARG 140 Cb -0.19 -0.45 1.10 0.00 0.52 0.00 0.00 34.95 35.93 2ipk s ARG 140 CO 0.40 0.09 1.96 1.49 0.02 0.00 0.00 175.30 179.27 2ipk h GLU 141 N 4.42 0.33 -0.11 3.54 4.57 -1.98 0.15 114.58 125.51 2ipk h GLU 141 Ca -0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2ipk h GLU 141 Cb 1.20 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2ipk h GLU 141 CO 0.41 0.22 0.00 -0.40 -1.18 0.00 0.00 179.01 178.05 2ipk n ASP 142 N -4.46 0.90 -0.08 1.04 5.68 -1.26 -4.90 116.55 113.47 2ipk n ASP 142 Ca 0.11 -1.67 -0.01 0.00 -0.50 0.00 0.00 54.79 52.72 2ipk n ASP 142 Cb 0.46 -0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2ipk n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2ipk n HIS 143 N -0.15 0.00 -2.26 2.11 8.25 0.54 -5.03 115.22 118.67 2ipk n HIS 143 Ca 0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.52 2ipk n HIS 143 Cb 0.19 -0.67 0.04 0.00 1.12 0.00 0.00 29.99 30.68 2ipk n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ipk n LEU 144 N -0.13 0.00 -4.44 2.41 4.77 -1.26 -4.86 117.00 113.50 2ipk n LEU 144 Ca -0.01 -0.63 -0.22 0.00 -0.03 0.00 0.00 56.01 55.12 2ipk n LEU 144 Cb 0.14 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2ipk n LEU 144 CO 0.02 -0.66 -0.35 -0.36 -1.33 0.00 0.00 177.39 174.71 2ipk s PHE 145 N -0.89 1.99 0.21 -1.77 0.40 0.12 -2.70 117.98 115.34 2ipk s PHE 145 Ca 0.21 -0.73 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 2ipk s PHE 145 Cb -0.01 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2ipk s PHE 145 CO 0.14 0.25 -0.05 1.03 0.70 0.00 0.00 175.22 177.29 2ipk s ARG 146 N -3.75 1.28 -0.20 0.44 0.52 -0.49 -1.63 118.95 115.12 2ipk s ARG 146 Ca 0.31 -1.61 -0.28 0.00 -0.52 0.00 0.00 55.73 53.63 2ipk s ARG 146 Cb 0.05 -0.72 0.11 0.00 0.52 0.00 0.00 34.95 34.90 2ipk s ARG 146 CO 0.13 -0.01 0.92 0.21 0.02 0.00 0.00 175.30 176.57 2ipk s LYS 147 N -3.79 0.68 -0.04 3.54 2.20 0.10 -1.10 119.74 121.32 2ipk s LYS 147 Ca 0.25 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.36 2ipk s LYS 147 Cb 0.04 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2ipk s LYS 147 CO 0.06 -0.15 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.62 2ipk s PHE 148 N -0.43 2.10 -0.01 4.03 0.40 -1.26 -1.25 117.98 121.56 2ipk s PHE 148 Ca -0.01 -0.56 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2ipk s PHE 148 Cb -0.03 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 2ipk s PHE 148 CO 0.00 -0.15 -0.24 -1.01 0.70 0.00 0.00 175.22 174.52 2ipk s HIS 149 N -0.21 2.13 0.03 0.36 3.76 -0.74 -1.18 115.29 119.44 2ipk s HIS 149 Ca -0.00 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 2ipk s HIS 149 Cb -0.12 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 2ipk s HIS 149 CO 0.02 -0.03 -0.21 0.71 -0.85 0.00 0.00 174.74 174.38 2ipk s TYR 150 N -0.57 1.84 -0.24 1.40 1.51 0.11 -0.81 117.35 120.58 2ipk s TYR 150 Ca 0.09 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2ipk s TYR 150 Cb -0.09 -1.12 0.08 0.00 -0.11 0.00 0.00 41.96 40.72 2ipk s TYR 150 CO -0.01 0.07 0.10 -1.17 -1.11 0.00 0.00 175.55 173.43 2ipk s LEU 151 N -1.03 0.79 0.19 -1.29 2.96 -0.13 -1.87 118.68 118.31 2ipk s LEU 151 Ca 0.08 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.61 2ipk s LEU 151 Cb -0.09 -0.42 -0.08 0.00 0.50 0.00 0.00 46.19 46.10 2ipk s LEU 151 CO 0.01 -0.39 1.26 -2.84 -1.32 0.00 0.00 176.35 173.07 2ipk s PRO 152 N 2.01 4.43 0.21 0.98 0.02 -1.26 -0.57 135.00 140.82 2ipk s PRO 152 Ca 0.06 1.98 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 2ipk s PRO 152 Cb -0.16 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 2ipk s PRO 152 CO -0.23 -0.19 0.35 -0.59 -0.33 0.00 0.00 177.00 176.01 2ipk s PHE 153 N 0.04 0.47 -0.28 6.54 -0.71 -0.58 -4.92 117.98 118.54 2ipk s PHE 153 Ca 0.55 -0.81 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 2ipk s PHE 153 Cb -0.35 -0.01 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2ipk s PHE 153 CO 0.38 -0.83 0.00 -1.17 -1.34 0.00 0.00 175.22 172.26 2ipk s LEU 154 N -3.01 3.66 0.56 -1.99 2.96 -1.26 -1.76 118.68 117.84 2ipk s LEU 154 Ca 0.22 -0.99 -0.21 0.00 -0.22 0.00 0.00 54.13 52.94 2ipk s LEU 154 Cb 0.02 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2ipk s LEU 154 CO 0.06 -0.20 1.29 -2.84 -1.32 0.00 0.00 176.35 173.34 2ipk s PRO 155 N 1.35 3.08 -0.26 0.98 0.02 -1.26 -4.87 135.00 134.03 2ipk s PRO 155 Ca -0.01 2.07 -0.27 0.00 0.02 0.00 0.00 61.00 62.80 2ipk s PRO 155 Cb -0.18 -2.14 0.17 0.00 0.02 0.00 0.00 34.50 32.37 2ipk s PRO 155 CO -0.01 -1.19 1.25 -1.54 -0.33 0.00 0.00 177.00 175.19 2ipk s SER 156 N -1.20 -0.18 0.00 2.53 1.04 -1.26 -1.82 113.70 112.81 2ipk s SER 156 Ca 0.74 0.28 0.13 0.00 0.48 0.00 0.00 55.95 57.57 2ipk s SER 156 Cb -0.37 0.26 0.58 0.00 0.10 0.00 0.00 66.02 66.59 2ipk s SER 156 CO 0.42 -0.11 1.40 0.35 0.98 0.00 0.00 173.24 176.28 2ipk n THR 157 N 1.19 1.02 0.10 2.02 -2.24 -1.26 -2.67 114.28 112.45 2ipk n THR 157 Ca -0.08 0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 61.94 2ipk n THR 157 Cb 0.58 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 2ipk n THR 157 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ipk h GLU 158 N 0.00 0.00 -5.99 -0.78 4.57 -1.99 -3.47 114.58 106.92 2ipk h GLU 158 Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 2ipk h GLU 158 Cb 0.21 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 2ipk h GLU 158 CO 0.00 0.74 -0.57 -0.51 -1.18 0.00 0.00 179.01 177.49 2ipk s ASP 159 N -6.59 5.74 0.01 1.04 1.01 -1.09 -5.04 116.67 111.75 2ipk s ASP 159 Ca 0.02 0.16 0.05 0.00 0.71 0.00 0.00 52.55 53.49 2ipk s ASP 159 Cb 0.09 -1.66 -0.02 0.00 1.01 0.00 0.00 42.92 42.34 2ipk s ASP 159 CO 0.78 0.27 -0.16 0.68 0.21 0.00 0.00 175.17 176.95 2ipk s VAL 160 N -1.22 1.25 0.24 -1.27 -7.23 -1.26 -4.41 120.40 106.50 2ipk s VAL 160 Ca 0.24 -0.84 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2ipk s VAL 160 Cb -0.12 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 2ipk s VAL 160 CO 0.15 0.22 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.69 2ipk s TYR 161 N -0.57 1.95 -0.06 2.82 1.51 0.17 -0.79 117.35 122.38 2ipk s TYR 161 Ca 0.05 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2ipk s TYR 161 Cb -0.07 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2ipk s TYR 161 CO 0.00 0.50 0.16 -0.51 -1.11 0.00 0.00 175.55 174.59 2ipk s ASP 162 N -3.40 -0.16 -0.32 2.29 1.01 0.06 -0.22 116.67 115.93 2ipk s ASP 162 Ca 0.26 0.32 -0.08 0.00 0.71 0.00 0.00 52.55 53.75 2ipk s ASP 162 Cb -0.02 0.31 0.01 0.00 1.01 0.00 0.00 42.92 44.24 2ipk s ASP 162 CO 0.10 -0.06 0.12 0.00 0.21 0.00 0.00 175.17 175.55 2ipk s ARG 164 N 1.53 3.43 -0.13 0.00 3.52 0.16 -1.39 118.95 126.07 2ipk s ARG 164 Ca 0.02 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2ipk s ARG 164 Cb -0.18 -3.84 -0.02 0.00 -1.56 0.00 0.00 34.95 29.35 2ipk s ARG 164 CO 0.04 -0.56 -0.11 0.08 -0.81 0.00 0.00 175.30 173.94 2ipk s VAL 165 N 1.90 3.23 -0.06 7.11 1.01 0.66 -0.91 120.40 133.34 2ipk s VAL 165 Ca 0.09 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2ipk s VAL 165 Cb -0.17 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2ipk s VAL 165 CO 0.11 0.52 -0.25 -1.61 0.00 0.00 0.00 175.10 173.88 2ipk s GLU 166 N 0.29 2.59 -0.17 2.72 2.02 0.23 -0.54 118.70 125.83 2ipk s GLU 166 Ca -0.09 -0.90 -0.24 0.00 0.02 0.00 0.00 54.97 53.77 2ipk s GLU 166 Cb -0.15 -2.18 0.06 0.00 0.10 0.00 0.00 34.13 31.96 2ipk s GLU 166 CO 0.05 0.37 0.62 -1.58 0.02 0.00 0.00 175.26 174.74 2ipk s HIS 167 N -0.14 -0.65 0.66 1.61 2.46 -1.26 -1.65 115.29 116.32 2ipk s HIS 167 Ca -0.04 1.45 0.37 0.00 0.47 0.00 0.00 55.06 57.31 2ipk s HIS 167 Cb -0.14 0.27 2.03 0.00 -0.13 0.00 0.00 32.58 34.61 2ipk s HIS 167 CO 0.04 -0.41 2.17 -1.49 -2.47 0.00 0.00 174.74 172.58 2ipk h TRP 168 N 4.51 0.00 -0.00 3.88 6.55 -1.95 0.25 115.95 129.18 2ipk h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 2ipk h TRP 168 Cb 1.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.46 2ipk h TRP 168 CO 0.40 0.00 -0.05 0.41 -1.05 0.00 0.00 178.44 178.15 2ipk n GLY 169 N -1.18 -1.37 3.67 1.49 0.00 -1.26 -4.75 105.19 101.79 2ipk n GLY 169 Ca -0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2ipk n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ipk s LEU 170 N -2.83 3.79 0.26 0.99 1.43 0.87 -4.40 118.68 118.79 2ipk s LEU 170 Ca 0.19 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2ipk s LEU 170 Cb 0.19 -1.93 0.31 0.00 0.03 0.00 0.00 46.19 44.80 2ipk s LEU 170 CO 0.52 0.26 1.60 0.44 0.23 0.00 0.00 176.35 179.39 2ipk h ASP 171 N 6.06 0.19 -4.94 2.29 3.45 -1.85 -3.44 116.42 118.18 2ipk h ASP 171 Ca -0.42 -0.11 -0.18 0.00 0.43 0.00 0.00 57.03 56.75 2ipk h ASP 171 Cb 1.18 -0.06 -0.17 0.00 -0.56 0.00 0.00 39.33 39.73 2ipk h ASP 171 CO 0.64 0.73 -0.69 -1.61 -1.57 0.00 0.00 179.24 176.74 2ipk s GLU 172 N -3.78 0.63 0.46 3.56 0.41 -1.26 -5.13 118.70 113.60 2ipk s GLU 172 Ca -0.03 -1.11 -0.25 0.00 -0.41 0.00 0.00 54.97 53.17 2ipk s GLU 172 Cb 0.12 0.00 -0.08 0.00 -1.78 0.00 0.00 34.13 32.40 2ipk s GLU 172 CO 0.78 -0.05 1.37 -2.30 -0.49 0.00 0.00 175.26 174.57 2ipk n PRO 173 N 0.43 2.05 -3.95 0.39 -0.02 -1.26 -4.90 135.00 127.74 2ipk n PRO 173 Ca -0.16 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 2ipk n PRO 173 Cb 0.59 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 2ipk n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ipk s LEU 174 N -2.51 3.99 -0.23 2.45 2.96 0.30 -4.92 118.68 120.72 2ipk s LEU 174 Ca 0.63 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.72 2ipk s LEU 174 Cb -0.46 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.26 2ipk s LEU 174 CO 0.56 0.23 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.96 2ipk s LEU 175 N 0.03 2.95 -0.35 -0.68 1.02 -1.26 -0.24 118.68 120.15 2ipk s LEU 175 Ca 0.07 -0.88 -0.13 0.00 0.02 0.00 0.00 54.13 53.21 2ipk s LEU 175 Cb -0.12 -1.60 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 2ipk s LEU 175 CO 0.00 -0.10 0.23 -0.54 0.02 0.00 0.00 176.35 175.97 2ipk s LYS 176 N 1.28 3.38 0.29 1.70 -0.14 -0.48 -4.89 119.74 120.88 2ipk s LYS 176 Ca 0.00 -0.72 -0.13 0.00 -1.36 0.00 0.00 55.97 53.76 2ipk s LYS 176 Cb -0.16 -3.79 -0.08 0.00 -1.68 0.00 0.00 37.83 32.11 2ipk s LYS 176 CO -0.07 -0.49 0.67 -1.58 -0.76 0.00 0.00 175.35 173.13 2ipk s HIS 177 N 1.70 3.40 -0.11 3.18 5.65 -1.26 -0.79 115.29 127.06 2ipk s HIS 177 Ca 0.06 1.11 -0.09 0.00 0.25 0.00 0.00 55.06 56.39 2ipk s HIS 177 Cb -0.18 -2.45 0.03 0.00 -1.18 0.00 0.00 32.58 28.81 2ipk s HIS 177 CO 0.10 0.16 0.28 -0.46 -0.65 0.00 0.00 174.74 174.17 2ipk s TRP 178 N -1.91 -0.32 -0.02 3.88 -0.00 0.69 -4.94 118.94 116.32 2ipk s TRP 178 Ca 0.51 0.78 -0.23 0.00 -0.00 0.00 0.00 56.10 57.16 2ipk s TRP 178 Cb -0.11 0.10 0.05 0.00 -0.00 0.00 0.00 33.47 33.51 2ipk s TRP 178 CO 0.19 -0.17 0.50 -1.83 -0.00 0.00 0.00 176.95 175.64 2ipk s GLU 179 N 0.37 0.89 -0.29 5.86 -1.05 -1.26 0.43 118.70 123.66 2ipk s GLU 179 Ca -0.02 -0.00 -0.39 0.00 -0.15 0.00 0.00 54.97 54.41 2ipk s GLU 179 Cb -0.04 0.41 -0.15 0.00 -0.44 0.00 0.00 34.13 33.92 2ipk s GLU 179 CO -0.02 -0.27 1.86 0.34 0.95 0.00 0.00 175.26 178.12 2ipk n PHE 180 N 0.99 1.96 -0.32 4.83 7.35 -1.26 -5.06 117.46 125.95 2ipk n PHE 180 Ca -0.20 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 2ipk n PHE 180 Cb 0.57 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.92 2ipk n PHE 180 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75