#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkj s ILE 2 N 0.00 4.88 0.15 2.02 1.01 -1.26 -0.74 121.20 127.26 1pkj s ILE 2 Ca 0.00 1.51 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 1pkj s ILE 2 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 1pkj s ILE 2 CO 0.00 0.33 1.40 -0.76 0.00 0.00 0.00 174.94 175.91 1pkj s LEU 3 N 0.25 4.38 0.79 2.97 1.02 0.37 -4.97 118.68 123.49 1pkj s LEU 3 Ca 0.37 2.41 -0.05 0.00 0.02 0.00 0.00 54.13 56.89 1pkj s LEU 3 Cb -0.19 -3.60 0.15 0.00 0.02 0.00 0.00 46.19 42.57 1pkj s LEU 3 CO 0.20 -0.65 1.09 -0.94 0.02 0.00 0.00 176.35 176.07 1pkj s SER 4 N 0.87 4.00 0.28 2.29 1.04 -1.26 -4.45 113.70 116.46 1pkj s SER 4 Ca 0.63 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.89 1pkj s SER 4 Cb -0.38 -0.10 0.58 0.00 0.10 0.00 0.00 66.02 66.23 1pkj s SER 4 CO 0.33 -2.11 1.78 -2.24 0.98 0.00 0.00 173.24 171.99 1pkj h ASP 5 N -0.84 0.70 -0.60 7.02 3.04 -1.27 -0.51 116.42 123.96 1pkj h ASP 5 Ca -0.39 0.08 -0.04 0.00 -3.24 0.00 0.00 57.03 53.45 1pkj h ASP 5 Cb 1.26 -0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 39.47 1pkj h ASP 5 CO 0.40 0.31 0.24 0.11 -2.04 0.00 0.00 179.24 178.26 1pkj h LYS 6 N 0.75 0.92 -0.17 4.15 1.57 -1.91 -1.36 116.57 120.53 1pkj h LYS 6 Ca 0.50 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1pkj h LYS 6 Cb 0.66 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1pkj h LYS 6 CO -0.34 0.76 -0.48 -0.44 -0.57 0.00 0.00 179.45 178.38 1pkj h ASP 7 N 0.91 0.71 -0.37 0.86 3.45 -1.51 -2.26 116.42 118.20 1pkj h ASP 7 Ca 0.21 -0.59 0.01 0.00 0.43 0.00 0.00 57.03 57.10 1pkj h ASP 7 Cb 0.19 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1pkj h ASP 7 CO -0.02 1.18 0.22 0.40 -1.57 0.00 0.00 179.24 179.45 1pkj h ILE 8 N 0.29 1.04 -0.48 0.35 2.04 -0.93 -0.85 117.51 118.97 1pkj h ILE 8 Ca -0.01 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1pkj h ILE 8 Cb 1.10 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1pkj h ILE 8 CO 0.10 0.08 0.28 0.40 0.00 0.00 0.00 178.15 179.01 1pkj h ILE 9 N 0.45 1.03 -0.06 -0.67 1.08 -1.25 -1.44 117.51 116.65 1pkj h ILE 9 Ca 0.15 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1pkj h ILE 9 Cb -0.00 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1pkj h ILE 9 CO -0.07 0.10 0.04 0.44 -0.69 0.00 0.00 178.15 177.98 1pkj h ASP 10 N 0.55 0.08 -0.15 1.72 3.32 -0.94 -0.89 116.42 120.10 1pkj h ASP 10 Ca 0.20 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1pkj h ASP 10 Cb 0.04 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pkj h ASP 10 CO -0.10 0.08 0.02 1.88 -1.72 0.00 0.00 179.24 179.40 1pkj h TYR 11 N 0.07 0.37 0.01 4.55 0.99 -0.97 -1.52 116.97 120.47 1pkj h TYR 11 Ca 0.02 -0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 1pkj h TYR 11 Cb 0.01 -0.11 0.02 0.00 1.00 0.00 0.00 36.73 37.65 1pkj h TYR 11 CO -0.07 0.36 -0.93 0.28 -0.00 0.00 0.00 178.16 177.80 1pkj h VAL 12 N 0.36 1.32 -0.50 -2.88 2.07 -1.12 0.25 116.25 115.74 1pkj h VAL 12 Ca 0.08 -2.22 0.04 0.00 0.82 0.00 0.00 66.70 65.43 1pkj h VAL 12 Cb 0.21 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1pkj h VAL 12 CO 0.00 0.67 0.25 0.74 0.02 0.00 0.00 177.57 179.26 1pkj h THR 13 N 0.24 0.95 -0.04 2.57 2.02 -0.70 -1.78 112.91 116.17 1pkj h THR 13 Ca -0.12 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1pkj h THR 13 Cb 1.61 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1pkj h THR 13 CO 0.18 0.09 0.00 -1.54 0.37 0.00 0.00 175.52 174.62 1pkj n SER 14 N -4.89 1.05 -1.05 4.18 3.41 -0.61 -4.91 113.62 110.80 1pkj n SER 14 Ca 0.04 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.11 1pkj n SER 14 Cb 0.13 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1pkj n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkj n LYS 15 N -0.15 -0.88 -0.06 4.33 5.02 -0.67 -4.88 118.16 120.86 1pkj n LYS 15 Ca 0.19 0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 57.24 1pkj n LYS 15 Cb 0.27 -4.92 0.05 0.00 -0.02 0.00 0.00 35.03 30.41 1pkj n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkj h ARG 16 N 0.00 0.74 -5.13 1.97 3.08 -0.82 -3.40 114.38 110.82 1pkj h ARG 16 Ca -0.26 -0.37 -0.67 0.00 0.07 0.00 0.00 59.98 58.74 1pkj h ARG 16 Cb 0.90 0.01 -0.34 0.00 0.08 0.00 0.00 29.97 30.62 1pkj h ARG 16 CO 0.36 0.99 -0.85 0.42 -1.07 0.00 0.00 179.97 179.82 1pkj s ILE 17 N -4.33 2.17 -0.03 2.04 1.01 -0.50 -3.68 121.20 117.87 1pkj s ILE 17 Ca -0.09 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 1pkj s ILE 17 Cb 0.12 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1pkj s ILE 17 CO 0.85 0.54 0.42 -0.63 0.00 0.00 0.00 174.94 176.12 1pkj s ILE 18 N 1.05 5.07 -0.15 2.92 -1.09 -0.49 -4.08 121.20 124.42 1pkj s ILE 18 Ca -0.01 0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 59.23 1pkj s ILE 18 Cb -0.14 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 1pkj s ILE 18 CO -0.07 0.52 0.19 -0.63 -1.23 0.00 0.00 174.94 173.72 1pkj s ILE 19 N -0.65 -0.29 -0.07 2.92 1.01 -1.26 -1.49 121.20 121.38 1pkj s ILE 19 Ca 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 1pkj s ILE 19 Cb -0.16 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 41.82 1pkj s ILE 19 CO 0.12 -0.06 -0.00 -0.54 0.00 0.00 0.00 174.94 174.46 1pkj s LYS 20 N 2.30 0.65 0.62 2.79 1.02 0.63 -3.22 119.74 124.52 1pkj s LYS 20 Ca 0.05 0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.99 1pkj s LYS 20 Cb -0.14 -0.97 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1pkj s LYS 20 CO -0.09 -0.28 1.04 -1.25 -0.92 0.00 0.00 175.35 173.84 1pkj s PRO 21 N 1.87 3.41 -0.12 -1.68 0.04 -1.26 0.10 135.00 137.37 1pkj s PRO 21 Ca 0.04 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 1pkj s PRO 21 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1pkj s PRO 21 CO -0.05 -0.72 -0.08 0.12 0.04 0.00 0.00 177.00 176.31 1pkj s PHE 22 N -2.88 2.92 -0.24 0.56 2.19 -1.20 -4.85 117.98 114.48 1pkj s PHE 22 Ca 0.58 -0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.52 1pkj s PHE 22 Cb -0.13 -1.86 0.06 0.00 -1.31 0.00 0.00 43.02 39.79 1pkj s PHE 22 CO 0.46 -0.01 -0.07 -0.80 1.83 0.00 0.00 175.22 176.63 1pkj s ASN 23 N 0.07 4.06 0.55 6.13 0.01 -1.26 -5.00 114.94 119.51 1pkj s ASN 23 Ca -0.03 -1.26 0.26 0.00 -0.71 0.00 0.00 52.86 51.12 1pkj s ASN 23 Cb -0.14 -1.30 1.47 0.00 0.41 0.00 0.00 41.25 41.69 1pkj s ASN 23 CO 0.03 -0.22 2.02 0.50 -1.51 0.00 0.00 177.10 177.92 1pkj h LYS 24 N 7.89 0.00 -0.00 -0.60 3.64 -1.99 0.99 116.57 126.50 1pkj h LYS 24 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1pkj h LYS 24 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1pkj h LYS 24 CO 0.43 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.21 1pkj n ASP 25 N -4.13 0.05 -0.41 4.20 3.85 -1.26 -2.63 116.55 116.23 1pkj n ASP 25 Ca 0.07 -1.15 0.12 0.00 -0.71 0.00 0.00 54.79 53.12 1pkj n ASP 25 Cb 0.51 -0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.51 1pkj n ASP 25 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1pkj n PHE 26 N -0.89 0.00 -2.68 2.11 3.01 0.34 -4.84 117.46 114.51 1pkj n PHE 26 Ca 0.21 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.24 1pkj n PHE 26 Cb 0.10 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1pkj n PHE 26 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pkj s VAL 27 N -2.42 4.55 0.39 -4.37 1.01 -1.08 -0.62 120.40 117.88 1pkj s VAL 27 Ca 0.24 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.95 1pkj s VAL 27 Cb 0.19 -4.38 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1pkj s VAL 27 CO 0.51 -0.44 0.54 0.61 0.00 0.00 0.00 175.10 176.33 1pkj n GLY 28 N 3.89 1.82 0.31 4.51 0.00 0.42 -4.99 105.19 111.15 1pkj n GLY 28 Ca 0.11 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 44.09 1pkj n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkj h PRO 29 N 0.00 0.33 -0.17 1.61 0.11 -1.97 -3.31 132.00 128.60 1pkj h PRO 29 Ca -0.18 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.71 1pkj h PRO 29 Cb 0.82 -0.08 -0.26 0.00 0.11 0.00 0.00 31.00 31.59 1pkj h PRO 29 CO 0.25 0.22 -0.66 0.00 -0.21 0.00 0.00 178.00 177.61 1pkj s SER 31 N -2.24 -0.07 -0.09 0.00 1.04 -1.24 -4.54 113.70 106.55 1pkj s SER 31 Ca 0.17 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1pkj s SER 31 Cb 0.36 0.67 0.02 0.00 0.10 0.00 0.00 66.02 67.17 1pkj s SER 31 CO -0.09 -1.30 -0.08 -0.47 0.98 0.00 0.00 173.24 172.28 1pkj s TYR 32 N -2.70 1.32 0.29 5.02 5.04 -0.50 -0.43 117.35 125.38 1pkj s TYR 32 Ca 0.16 -0.57 -0.29 0.00 -2.44 0.00 0.00 57.07 53.93 1pkj s TYR 32 Cb -0.04 -1.08 -0.09 0.00 0.35 0.00 0.00 41.96 41.09 1pkj s TYR 32 CO 0.07 -0.39 1.09 -0.51 -1.34 0.00 0.00 175.55 174.47 1pkj s ASP 33 N 1.35 7.23 0.26 4.32 1.01 0.21 -0.55 116.67 130.50 1pkj s ASP 33 Ca -0.02 2.24 0.12 0.00 0.71 0.00 0.00 52.55 55.59 1pkj s ASP 33 Cb -0.14 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 1pkj s ASP 33 CO -0.04 -0.17 -0.20 0.68 0.21 0.00 0.00 175.17 175.65 1pkj s VAL 34 N -1.21 2.40 0.22 -1.27 -7.23 -0.03 -4.92 120.40 108.36 1pkj s VAL 34 Ca 0.46 -2.31 0.10 0.00 -1.81 0.00 0.00 61.98 58.41 1pkj s VAL 34 Cb -0.31 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1pkj s VAL 34 CO 0.40 -0.35 -0.10 0.42 -0.31 0.00 0.00 175.10 175.15 1pkj s THR 35 N -2.36 3.06 -0.14 5.32 -4.23 -1.26 -1.06 115.64 114.96 1pkj s THR 35 Ca 0.27 -1.86 -0.29 0.00 -1.18 0.00 0.00 61.69 58.63 1pkj s THR 35 Cb -0.05 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1pkj s THR 35 CO 0.13 -0.21 1.13 -0.22 -0.54 0.00 0.00 174.62 174.91 1pkj s LEU 36 N -3.11 4.20 0.91 4.79 2.96 0.17 -1.04 118.68 127.56 1pkj s LEU 36 Ca 0.27 1.61 -0.12 0.00 -0.22 0.00 0.00 54.13 55.66 1pkj s LEU 36 Cb -0.08 -3.55 0.14 0.00 0.50 0.00 0.00 46.19 43.20 1pkj s LEU 36 CO 0.16 -0.63 1.10 -0.83 -1.32 0.00 0.00 176.35 174.83 1pkj s GLY 37 N 1.46 1.59 0.00 7.98 0.00 0.93 0.06 107.32 119.35 1pkj s GLY 37 Ca 0.51 -0.30 0.23 0.00 0.00 0.00 0.00 44.72 45.16 1pkj s GLY 37 CO 0.15 0.23 1.48 2.09 0.00 0.00 0.00 173.10 177.05 1pkj n ASP 38 N -3.85 2.45 -4.56 1.64 5.68 -1.26 -4.66 116.55 111.98 1pkj n ASP 38 Ca 0.06 -1.83 -0.34 0.00 -0.50 0.00 0.00 54.79 52.19 1pkj n ASP 38 Cb 0.57 -0.13 -0.11 0.00 -1.14 0.00 0.00 41.12 40.31 1pkj n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1pkj s GLU 39 N -1.74 3.72 0.15 0.11 2.02 -1.26 -1.80 118.70 119.91 1pkj s GLU 39 Ca 0.35 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 54.96 1pkj s GLU 39 Cb 0.20 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1pkj s GLU 39 CO 0.29 0.30 -0.15 -0.06 0.02 0.00 0.00 175.26 175.66 1pkj s PHE 40 N 0.25 1.57 -0.05 1.61 0.40 -0.52 -4.08 117.98 117.16 1pkj s PHE 40 Ca -0.00 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 55.83 1pkj s PHE 40 Cb -0.13 -0.79 -0.00 0.00 0.51 0.00 0.00 43.02 42.60 1pkj s PHE 40 CO 0.02 0.23 -0.17 0.42 0.70 0.00 0.00 175.22 176.42 1pkj s ILE 41 N -2.31 1.46 -0.14 0.64 1.01 0.37 -1.47 121.20 120.76 1pkj s ILE 41 Ca 0.14 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1pkj s ILE 41 Cb -0.04 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.18 1pkj s ILE 41 CO 0.05 0.42 -0.17 -0.63 0.00 0.00 0.00 174.94 174.61 1pkj s ILE 42 N 0.14 1.72 0.61 2.92 1.01 -0.65 -0.97 121.20 125.99 1pkj s ILE 42 Ca -0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 1pkj s ILE 42 Cb -0.13 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 1pkj s ILE 42 CO 0.03 0.48 1.11 -0.31 0.00 0.00 0.00 174.94 176.25 1pkj s TYR 43 N 1.17 2.67 -0.42 3.97 2.02 -1.26 -0.58 117.35 124.92 1pkj s TYR 43 Ca -0.01 1.55 0.08 0.00 -0.37 0.00 0.00 57.07 58.31 1pkj s TYR 43 Cb -0.14 -3.19 0.25 0.00 -0.40 0.00 0.00 41.96 38.48 1pkj s TYR 43 CO -0.06 -1.59 0.54 -3.47 -1.57 0.00 0.00 175.55 169.40 1pkj n ASP 44 N -2.01 0.59 -3.89 2.29 2.03 0.11 -4.86 116.55 110.82 1pkj n ASP 44 Ca 0.11 -2.78 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 1pkj n ASP 44 Cb 0.52 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 1pkj n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1pkj s ASP 45 N -1.31 0.07 0.11 1.67 1.01 -1.26 -4.59 116.67 112.36 1pkj s ASP 45 Ca 0.36 -0.31 -0.17 0.00 0.71 0.00 0.00 52.55 53.14 1pkj s ASP 45 Cb 0.16 0.21 -0.04 0.00 1.01 0.00 0.00 42.92 44.27 1pkj s ASP 45 CO -0.10 -0.42 1.60 -0.08 0.21 0.00 0.00 175.17 176.38 1pkj h GLU 46 N 4.05 0.56 -4.38 8.23 4.81 -2.00 -3.45 114.58 122.40 1pkj h GLU 46 Ca -0.31 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.61 1pkj h GLU 46 Cb 1.19 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 1pkj h GLU 46 CO 0.44 0.62 -0.67 0.14 -0.73 0.00 0.00 179.01 178.81 1pkj s VAL 47 N -5.24 0.29 -0.36 0.32 -7.23 -1.26 -5.14 120.40 101.78 1pkj s VAL 47 Ca -0.13 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1pkj s VAL 47 Cb 0.09 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1pkj s VAL 47 CO 0.76 -0.82 0.20 -0.31 -0.31 0.00 0.00 175.10 174.62 1pkj s TYR 48 N -3.89 3.22 -0.33 2.82 2.02 -1.26 -5.04 117.35 114.89 1pkj s TYR 48 Ca 0.13 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1pkj s TYR 48 Cb 0.07 -2.43 0.08 0.00 -0.40 0.00 0.00 41.96 39.28 1pkj s TYR 48 CO -0.05 -0.58 0.05 0.34 -1.57 0.00 0.00 175.55 173.74 1pkj s ASP 49 N 1.58 4.92 0.18 2.29 2.15 -1.26 -4.99 116.67 121.55 1pkj s ASP 49 Ca 0.03 -1.65 0.11 0.00 0.43 0.00 0.00 52.55 51.47 1pkj s ASP 49 Cb -0.18 -1.71 0.58 0.00 -0.30 0.00 0.00 42.92 41.31 1pkj s ASP 49 CO 0.07 -0.35 1.28 0.18 -0.17 0.00 0.00 175.17 176.18 1pkj n LEU 50 N 4.53 0.28 0.15 -1.34 4.77 -1.26 -1.25 117.00 122.88 1pkj n LEU 50 Ca -0.07 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1pkj n LEU 50 Cb 0.42 -0.60 0.46 0.00 -2.33 0.00 0.00 43.42 41.38 1pkj n LEU 50 CO 0.27 -0.68 0.88 0.77 -1.33 0.00 0.00 177.39 177.30 1pkj h SER 51 N 0.00 0.00 -1.75 -1.43 4.64 -2.04 -3.45 113.55 109.52 1pkj h SER 51 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1pkj h SER 51 Cb 0.17 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.18 1pkj h SER 51 CO 0.00 0.00 -0.54 -0.54 -0.87 0.00 0.00 176.83 174.88 1pkj s LYS 52 N -3.28 2.23 -0.32 4.77 -0.14 -0.38 -5.09 119.74 117.53 1pkj s LYS 52 Ca 0.06 -1.74 -0.20 0.00 -1.36 0.00 0.00 55.97 52.73 1pkj s LYS 52 Cb 0.10 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.23 1pkj s LYS 52 CO 0.50 0.01 0.60 -2.00 -0.76 0.00 0.00 175.35 173.70 1pkj s GLU 53 N -3.84 3.80 0.42 1.68 2.12 -1.26 -4.92 118.70 116.70 1pkj s GLU 53 Ca 0.39 0.15 -0.25 0.00 0.36 0.00 0.00 54.97 55.61 1pkj s GLU 53 Cb 0.01 -3.76 -0.08 0.00 0.26 0.00 0.00 34.13 30.56 1pkj s GLU 53 CO 0.22 -0.61 1.19 -0.51 -0.54 0.00 0.00 175.26 175.01 1pkj s LEU 54 N 2.57 4.15 0.26 2.70 1.43 -1.26 -5.01 118.68 123.51 1pkj s LEU 54 Ca 0.23 2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 55.44 1pkj s LEU 54 Cb -0.15 -4.06 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 1pkj s LEU 54 CO 0.13 -0.78 0.94 0.20 0.23 0.00 0.00 176.35 177.08 1pkj s ASN 55 N -1.12 7.57 0.27 2.29 -0.87 -1.26 -4.98 114.94 116.85 1pkj s ASN 55 Ca 0.59 1.93 -0.12 0.00 -1.57 0.00 0.00 52.86 53.69 1pkj s ASN 55 Cb -0.32 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.31 1pkj s ASN 55 CO 0.39 0.10 0.52 -0.72 -2.57 0.00 0.00 177.10 174.83 1pkj s TYR 56 N -1.27 0.41 -0.02 2.20 -0.85 -1.26 0.08 117.35 116.63 1pkj s TYR 56 Ca 0.43 -0.78 0.05 0.00 -0.52 0.00 0.00 57.07 56.25 1pkj s TYR 56 Cb -0.25 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 42.32 1pkj s TYR 56 CO 0.30 -1.08 -0.18 0.15 -1.52 0.00 0.00 175.55 173.23 1pkj s LYS 57 N -3.74 1.57 -0.30 -3.49 3.01 0.25 -4.89 119.74 112.15 1pkj s LYS 57 Ca 0.22 -0.65 -0.08 0.00 -1.01 0.00 0.00 55.97 54.45 1pkj s LYS 57 Cb -0.01 -1.48 -0.00 0.00 -1.01 0.00 0.00 37.83 35.33 1pkj s LYS 57 CO 0.11 0.37 0.12 1.03 0.51 0.00 0.00 175.35 177.49 1pkj s ARG 58 N -0.34 3.29 0.18 1.68 0.52 -1.26 -1.63 118.95 121.39 1pkj s ARG 58 Ca 0.05 -0.74 0.09 0.00 -0.52 0.00 0.00 55.73 54.61 1pkj s ARG 58 Cb -0.08 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1pkj s ARG 58 CO -0.00 -0.40 -0.10 0.96 0.02 0.00 0.00 175.30 175.78 1pkj s ILE 59 N 1.58 3.18 -0.17 1.52 -4.36 -0.54 -5.00 121.20 117.41 1pkj s ILE 59 Ca 0.04 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1pkj s ILE 59 Cb -0.17 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.02 1pkj s ILE 59 CO 0.05 -0.10 -0.00 -0.75 0.24 0.00 0.00 174.94 174.38 1pkj s LYS 60 N -2.79 0.92 0.44 0.37 2.20 -1.26 -1.44 119.74 118.18 1pkj s LYS 60 Ca 0.24 -0.39 -0.16 0.00 -0.36 0.00 0.00 55.97 55.31 1pkj s LYS 60 Cb -0.09 -1.91 -0.08 0.00 -1.51 0.00 0.00 37.83 34.24 1pkj s LYS 60 CO 0.15 -0.52 0.88 0.96 -0.36 0.00 0.00 175.35 176.46 1pkj s ILE 61 N 1.79 4.59 -0.01 5.43 -4.36 -0.74 -5.00 121.20 122.90 1pkj s ILE 61 Ca 0.00 1.08 -0.10 0.00 -0.26 0.00 0.00 60.65 61.38 1pkj s ILE 61 Cb -0.16 -3.68 -0.31 0.00 1.25 0.00 0.00 42.46 39.56 1pkj s ILE 61 CO -0.07 -0.48 0.83 0.11 0.24 0.00 0.00 174.94 175.57 1pkj h LYS 62 N 1.44 0.39 0.00 0.37 1.57 -1.95 -3.46 116.57 114.92 1pkj h LYS 62 Ca -0.48 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 57.65 1pkj h LYS 62 Cb 1.18 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1pkj h LYS 62 CO 0.63 1.29 0.00 -1.71 -0.57 0.00 0.00 179.45 179.08 1pkj n ASN 63 N -3.58 0.00 -4.04 0.86 5.15 -1.26 -4.94 115.26 107.45 1pkj n ASN 63 Ca -0.19 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.69 1pkj n ASN 63 Cb 1.07 0.07 -0.08 0.00 -0.53 0.00 0.00 39.78 40.31 1pkj n ASN 63 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pkj s SER 64 N -3.29 0.10 -0.04 1.20 1.04 -1.26 -0.01 113.70 111.44 1pkj s SER 64 Ca 0.00 -1.02 -0.08 0.00 0.48 0.00 0.00 55.95 55.32 1pkj s SER 64 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1pkj s SER 64 CO 0.00 -0.87 0.19 -0.51 0.98 0.00 0.00 173.24 173.03 1pkj s ILE 65 N -4.02 0.04 -0.30 -1.02 2.07 -0.38 -2.02 121.20 115.58 1pkj s ILE 65 Ca 0.22 -0.35 -0.08 0.00 -1.41 0.00 0.00 60.65 59.03 1pkj s ILE 65 Cb 0.04 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1pkj s ILE 65 CO 0.03 -0.19 0.10 -0.22 -1.91 0.00 0.00 174.94 172.75 1pkj s LEU 66 N -0.70 3.93 -0.34 8.50 2.96 -0.19 -0.79 118.68 132.05 1pkj s LEU 66 Ca -0.08 -0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 53.04 1pkj s LEU 66 Cb -0.05 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1pkj s LEU 66 CO 0.01 -0.19 0.29 -0.69 -1.32 0.00 0.00 176.35 174.45 1pkj s VAL 67 N 1.53 5.24 0.07 1.68 1.01 -0.01 -1.41 120.40 128.50 1pkj s VAL 67 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1pkj s VAL 67 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1pkj s VAL 67 CO 0.04 -0.03 0.22 0.00 0.00 0.00 0.00 175.10 175.32 1pkj s PRO 69 N -2.54 1.42 0.64 0.00 0.02 -1.26 -1.16 135.00 132.12 1pkj s PRO 69 Ca 0.35 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 1pkj s PRO 69 Cb -0.13 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1pkj s PRO 69 CO 0.28 -2.33 1.17 -0.11 -0.33 0.00 0.00 177.00 175.69 1pkj n LEU 70 N -3.87 5.20 -2.14 -5.54 7.94 -1.26 -2.67 117.00 114.66 1pkj n LEU 70 Ca 0.12 0.81 -0.19 0.00 -1.11 0.00 0.00 56.01 55.63 1pkj n LEU 70 Cb 0.52 -1.50 -0.01 0.00 0.53 0.00 0.00 43.42 42.96 1pkj n LEU 70 CO 0.50 -1.33 -0.24 0.59 -1.11 0.00 0.00 177.39 175.79 1pkj n ASN 71 N -1.58 -5.49 0.17 1.96 3.02 -1.26 -4.86 115.26 107.23 1pkj n ASN 71 Ca 0.15 0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1pkj n ASN 71 Cb 0.48 -4.54 0.33 0.00 -0.61 0.00 0.00 39.78 35.44 1pkj n ASN 71 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1pkj h TYR 72 N 0.00 0.00 -5.28 3.10 3.20 -1.87 -3.48 116.97 112.64 1pkj h TYR 72 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1pkj h TYR 72 Cb 1.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.60 1pkj h TYR 72 CO 0.51 0.00 -0.29 0.09 -1.64 0.00 0.00 178.16 176.83 1pkj n ASN 73 N -2.68 -7.81 -4.47 -2.11 5.03 -1.26 -4.94 115.26 97.02 1pkj n ASN 73 Ca 0.04 0.29 -0.43 0.00 0.87 0.00 0.00 54.58 55.35 1pkj n ASN 73 Cb 0.45 -5.30 -0.05 0.00 -1.02 0.00 0.00 39.78 33.86 1pkj n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pkj s LEU 74 N -3.14 4.64 0.36 3.41 1.43 -1.26 -5.00 118.68 119.12 1pkj s LEU 74 Ca 0.15 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1pkj s LEU 74 Cb -0.04 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1pkj s LEU 74 CO 0.75 -1.09 0.57 0.42 0.23 0.00 0.00 176.35 177.22 1pkj s THR 75 N 3.26 4.92 0.36 5.49 -4.23 -1.26 -4.87 115.64 119.31 1pkj s THR 75 Ca 0.21 -0.47 0.12 0.00 -1.18 0.00 0.00 61.69 60.37 1pkj s THR 75 Cb -0.17 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.22 1pkj s THR 75 CO 0.14 -0.52 1.81 -0.33 -0.54 0.00 0.00 174.62 175.17 1pkj h GLU 76 N 0.70 0.56 -0.18 3.99 5.08 -1.99 0.15 114.58 122.89 1pkj h GLU 76 Ca -0.49 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1pkj h GLU 76 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1pkj h GLU 76 CO 0.61 0.37 0.08 0.93 -1.00 0.00 0.00 179.01 179.99 1pkj h GLU 77 N 0.57 0.28 -0.47 2.33 4.39 -2.00 -1.75 114.58 117.94 1pkj h GLU 77 Ca 0.54 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 60.10 1pkj h GLU 77 Cb 1.09 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1pkj h GLU 77 CO -0.28 0.34 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.66 1pkj h LYS 78 N 0.15 0.85 -0.36 2.33 1.63 -1.47 -2.36 116.57 117.33 1pkj h LYS 78 Ca 0.06 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 1pkj h LYS 78 Cb 0.17 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1pkj h LYS 78 CO -0.01 0.91 0.20 0.82 -3.45 0.00 0.00 179.45 177.93 1pkj h ILE 79 N 0.69 1.03 -0.04 2.00 2.04 -0.68 -0.94 117.51 121.62 1pkj h ILE 79 Ca 0.13 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1pkj h ILE 79 Cb 0.55 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1pkj h ILE 79 CO 0.03 0.08 -0.26 0.78 0.00 0.00 0.00 178.15 178.77 1pkj h ASN 80 N 0.42 0.07 0.14 1.72 2.35 -1.28 -1.06 115.58 117.95 1pkj h ASN 80 Ca 0.14 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1pkj h ASN 80 Cb 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1pkj h ASN 80 CO -0.07 0.34 -0.07 0.22 -1.65 0.00 0.00 177.43 176.20 1pkj h TYR 81 N 0.07 -0.18 -0.20 1.19 5.03 -0.76 -1.83 116.97 120.29 1pkj h TYR 81 Ca 0.01 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1pkj h TYR 81 Cb 0.51 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1pkj h TYR 81 CO 0.00 0.05 0.09 0.74 -1.32 0.00 0.00 178.16 177.72 1pkj h PHE 82 N -0.39 0.29 -0.87 -3.82 0.05 -0.97 0.49 116.94 111.73 1pkj h PHE 82 Ca -0.02 -0.02 0.09 0.00 3.82 0.00 0.00 57.97 61.84 1pkj h PHE 82 Cb 0.31 -0.09 -0.06 0.00 2.00 0.00 0.00 35.95 38.11 1pkj h PHE 82 CO -0.01 0.32 0.56 0.87 -0.18 0.00 0.00 178.31 179.87 1pkj h LYS 83 N 0.18 0.84 0.24 1.51 1.57 -1.18 0.13 116.57 119.86 1pkj h LYS 83 Ca 0.07 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 1pkj h LYS 83 Cb 0.14 -0.19 0.03 0.00 0.08 0.00 0.00 32.23 32.29 1pkj h LYS 83 CO -0.01 0.56 -1.50 1.49 -0.57 0.00 0.00 179.45 179.42 1pkj h GLU 84 N 0.87 0.51 -0.08 3.15 4.81 -1.12 -0.03 114.58 122.69 1pkj h GLU 84 Ca 0.40 -0.87 -0.17 0.00 -0.13 0.00 0.00 59.36 58.59 1pkj h GLU 84 Cb 0.38 0.32 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1pkj h GLU 84 CO -0.16 1.42 -0.68 -0.22 -0.73 0.00 0.00 179.01 178.64 1pkj h LYS 85 N 0.11 0.33 -0.01 1.92 3.64 -0.57 -3.33 116.57 118.66 1pkj h LYS 85 Ca -0.27 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1pkj h LYS 85 Cb 2.14 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.00 1pkj h LYS 85 CO 0.25 0.89 -0.06 0.66 -2.27 0.00 0.00 179.45 178.92 1pkj n TYR 86 N -3.85 0.00 -3.57 1.91 4.01 0.41 -5.02 117.16 111.05 1pkj n TYR 86 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 1pkj n TYR 86 Cb 0.67 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.77 1pkj n TYR 86 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pkj n ASN 87 N -0.05 -3.47 -4.88 7.72 5.15 -0.03 -4.99 115.26 114.72 1pkj n ASN 87 Ca 0.03 -0.64 -0.36 0.00 -0.60 0.00 0.00 54.58 53.00 1pkj n ASN 87 Cb 0.12 -4.82 -0.06 0.00 -0.53 0.00 0.00 39.78 34.49 1pkj n ASN 87 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1pkj s VAL 88 N -3.39 5.34 0.21 3.44 -7.23 -1.18 -4.84 120.40 112.75 1pkj s VAL 88 Ca 0.24 0.29 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 1pkj s VAL 88 Cb -0.11 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 1pkj s VAL 88 CO 0.75 0.50 1.52 0.44 -0.31 0.00 0.00 175.10 178.00 1pkj h ASP 89 N 4.47 0.41 -4.82 4.85 3.32 -1.76 -3.42 116.42 119.48 1pkj h ASP 89 Ca -0.52 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 56.09 1pkj h ASP 89 Cb 1.21 -0.12 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 1pkj h ASP 89 CO 0.62 0.92 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.05 1pkj s TYR 90 N -3.80 0.32 -0.11 4.55 1.51 -1.22 -5.02 117.35 113.58 1pkj s TYR 90 Ca -0.05 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1pkj s TYR 90 Cb 0.11 -0.22 0.02 0.00 -0.11 0.00 0.00 41.96 41.77 1pkj s TYR 90 CO 0.82 -0.15 -0.11 0.08 -1.11 0.00 0.00 175.55 175.07 1pkj s VAL 91 N -1.31 1.25 0.19 0.71 1.01 -1.26 -1.02 120.40 119.97 1pkj s VAL 91 Ca -0.13 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1pkj s VAL 91 Cb -0.09 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1pkj s VAL 91 CO -0.01 0.40 -0.03 0.68 0.00 0.00 0.00 175.10 176.14 1pkj s VAL 92 N 1.28 0.99 0.04 2.92 -7.23 -0.50 -4.99 120.40 112.91 1pkj s VAL 92 Ca -0.02 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1pkj s VAL 92 Cb -0.14 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1pkj s VAL 92 CO -0.05 -0.50 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.31 1pkj s GLU 93 N -3.84 0.65 1.95 4.82 -1.05 -1.26 0.00 118.70 119.98 1pkj s GLU 93 Ca 0.23 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1pkj s GLU 93 Cb 0.05 -0.55 0.00 0.00 -0.44 0.00 0.00 34.13 33.19 1pkj s GLU 93 CO 0.05 0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.79 1pkj n GLY 94 N 1.79 -1.29 3.76 -3.83 0.00 -0.31 -4.86 105.19 100.45 1pkj n GLY 94 Ca -0.20 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1pkj n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pkj s GLY 95 N 0.00 3.07 -0.04 -0.02 0.00 -1.26 -4.68 107.32 104.39 1pkj s GLY 95 Ca 0.00 0.84 -0.03 0.00 0.00 0.00 0.00 44.72 45.53 1pkj s GLY 95 CO 0.00 1.43 0.10 0.54 0.00 0.00 0.00 173.10 175.17 1pkj s VAL 96 N -1.18 -0.02 0.01 1.40 0.11 -0.85 -4.78 120.40 115.10 1pkj s VAL 96 Ca 0.44 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.37 1pkj s VAL 96 Cb -0.30 -0.15 -0.06 0.00 -1.53 0.00 0.00 36.38 34.33 1pkj s VAL 96 CO 0.39 0.02 0.51 -0.76 -3.33 0.00 0.00 175.10 171.93 1pkj s LEU 97 N 0.39 4.46 0.00 2.54 1.43 -0.14 -0.85 118.68 126.50 1pkj s LEU 97 Ca -0.03 1.10 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1pkj s LEU 97 Cb -0.04 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1pkj s LEU 97 CO -0.01 0.23 0.05 0.61 0.23 0.00 0.00 176.35 177.46 1pkj n GLY 98 N 2.06 3.81 3.26 -3.19 0.00 0.30 -0.48 105.19 110.95 1pkj n GLY 98 Ca -0.10 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1pkj n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pkj s THR 99 N -2.10 0.09 0.40 2.61 -1.32 -1.26 -0.65 115.64 113.41 1pkj s THR 99 Ca 0.08 -0.72 -0.10 0.00 -1.21 0.00 0.00 61.69 59.73 1pkj s THR 99 Cb 0.00 -1.05 -0.06 0.00 -1.51 0.00 0.00 72.50 69.88 1pkj s THR 99 CO 0.05 -0.40 0.76 0.42 -2.21 0.00 0.00 174.62 173.25 1pkj s THR 100 N -3.00 4.79 0.21 5.08 -4.23 -0.76 -0.05 115.64 117.69 1pkj s THR 100 Ca -0.02 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.21 1pkj s THR 100 Cb 0.01 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1pkj s THR 100 CO -0.06 -0.51 1.56 0.78 -0.54 0.00 0.00 174.62 175.85 1pkj h ASN 101 N 1.29 0.00 -3.34 3.99 -0.26 -1.38 -3.42 115.58 112.46 1pkj h ASN 101 Ca -0.47 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 54.74 1pkj h ASN 101 Cb 1.19 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.46 1pkj h ASN 101 CO 0.64 0.65 0.56 -1.61 -1.06 0.00 0.00 177.43 176.62 1pkj s GLU 102 N -3.40 4.46 -0.16 0.81 8.01 -1.26 -4.55 118.70 122.61 1pkj s GLU 102 Ca -0.00 1.83 -0.06 0.00 0.01 0.00 0.00 54.97 56.75 1pkj s GLU 102 Cb 0.12 -3.29 -0.04 0.00 -4.31 0.00 0.00 34.13 26.61 1pkj s GLU 102 CO 0.76 -0.17 0.05 -0.47 0.01 0.00 0.00 175.26 175.44 1pkj s TYR 103 N 0.46 3.24 0.19 1.61 6.14 0.12 -3.98 117.35 125.13 1pkj s TYR 103 Ca 0.56 0.08 0.08 0.00 0.64 0.00 0.00 57.07 58.42 1pkj s TYR 103 Cb -0.31 -2.01 -0.04 0.00 0.42 0.00 0.00 41.96 40.01 1pkj s TYR 103 CO 0.33 0.22 -0.15 0.96 0.64 0.00 0.00 175.55 177.55 1pkj s ILE 104 N 0.09 1.69 -0.05 3.14 -4.36 -0.46 -0.27 121.20 120.98 1pkj s ILE 104 Ca 0.04 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1pkj s ILE 104 Cb -0.12 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.66 1pkj s ILE 104 CO 0.01 -0.54 0.01 -1.61 0.24 0.00 0.00 174.94 173.04 1pkj s GLU 105 N -3.43 0.41 -0.10 0.37 2.02 -0.55 -0.88 118.70 116.53 1pkj s GLU 105 Ca 0.20 0.12 -0.03 0.00 0.02 0.00 0.00 54.97 55.28 1pkj s GLU 105 Cb -0.02 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 1pkj s GLU 105 CO 0.06 -0.22 0.02 -0.51 0.02 0.00 0.00 175.26 174.63 1pkj s LEU 106 N 1.55 3.67 0.00 1.80 1.43 0.03 -1.40 118.68 125.76 1pkj s LEU 106 Ca -0.02 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1pkj s LEU 106 Cb -0.13 -1.86 0.20 0.00 0.03 0.00 0.00 46.19 44.43 1pkj s LEU 106 CO -0.03 0.35 0.87 -0.81 0.23 0.00 0.00 176.35 176.96 1pkj n PRO 107 N 2.34 -1.85 0.00 1.29 -0.04 -1.24 -1.66 135.00 133.84 1pkj n PRO 107 Ca -0.18 -1.37 0.16 0.00 -0.04 0.00 0.00 63.50 62.06 1pkj n PRO 107 Cb 0.54 -1.11 0.86 0.00 -0.04 0.00 0.00 33.50 33.74 1pkj n PRO 107 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1pkj n ASN 108 N -4.04 0.23 -0.11 3.54 6.94 -1.26 -1.82 115.26 118.75 1pkj n ASN 108 Ca 0.12 -0.97 0.06 0.00 -0.02 0.00 0.00 54.58 53.76 1pkj n ASN 108 Cb 0.43 -0.03 0.09 0.00 -2.36 0.00 0.00 39.78 37.91 1pkj n ASN 108 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1pkj n ASP 109 N -0.86 2.31 -3.97 0.53 5.75 -1.26 -0.34 116.55 118.71 1pkj n ASP 109 Ca 0.22 -2.59 -0.16 0.00 -0.01 0.00 0.00 54.79 52.25 1pkj n ASP 109 Cb 0.16 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 39.86 1pkj n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pkj s ILE 110 N -2.02 0.47 -0.01 2.12 -1.09 -1.23 -1.52 121.20 117.92 1pkj s ILE 110 Ca 0.19 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 1pkj s ILE 110 Cb 0.16 -0.40 -0.01 0.00 -1.58 0.00 0.00 42.46 40.63 1pkj s ILE 110 CO 0.03 0.13 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.14 1pkj s SER 111 N -0.13 2.08 0.13 3.58 0.15 -0.39 -3.70 113.70 115.43 1pkj s SER 111 Ca 0.02 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.44 1pkj s SER 111 Cb -0.02 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1pkj s SER 111 CO -0.00 0.21 -0.23 0.00 1.20 0.00 0.00 173.24 174.42 1pkj s ALA 112 N -0.45 2.52 -0.09 5.45 0.00 -1.14 -0.41 121.76 127.64 1pkj s ALA 112 Ca 0.07 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.61 1pkj s ALA 112 Cb -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1pkj s ALA 112 CO -0.00 0.55 -0.18 -1.14 0.00 0.00 0.00 175.76 174.99 1pkj s GLN 113 N -2.18 2.33 0.02 0.00 0.74 0.11 0.95 119.66 121.64 1pkj s GLN 113 Ca 0.16 -0.63 -0.13 0.00 0.05 0.00 0.00 55.36 54.82 1pkj s GLN 113 Cb -0.10 -1.84 -0.06 0.00 1.10 0.00 0.00 33.01 32.11 1pkj s GLN 113 CO 0.08 0.08 0.39 -0.47 -0.55 0.00 0.00 175.29 174.83 1pkj s TYR 114 N 0.57 3.67 -0.06 1.67 5.04 -0.63 0.17 117.35 127.77 1pkj s TYR 114 Ca -0.15 0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 55.33 1pkj s TYR 114 Cb -0.17 -2.23 0.02 0.00 0.35 0.00 0.00 41.96 39.94 1pkj s TYR 114 CO 0.05 0.60 0.16 1.14 -1.34 0.00 0.00 175.55 176.16 1pkj s GLN 115 N -1.38 0.16 0.59 4.97 -2.07 -0.51 -4.50 119.66 116.92 1pkj s GLN 115 Ca 0.27 0.27 -0.18 0.00 -1.82 0.00 0.00 55.36 53.90 1pkj s GLN 115 Cb -0.15 0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 1pkj s GLN 115 CO 0.15 -0.07 1.14 0.20 -1.32 0.00 0.00 175.29 175.39 1pkj s GLY 116 N 0.43 2.53 0.44 2.60 0.00 -1.26 -0.89 107.32 111.16 1pkj s GLY 116 Ca -0.03 0.79 -0.24 0.00 0.00 0.00 0.00 44.72 45.24 1pkj s GLY 116 CO -0.02 1.15 1.25 1.09 0.00 0.00 0.00 173.10 176.58 1pkj s ARG 117 N -3.50 3.81 0.27 2.90 1.70 -0.76 -4.78 118.95 118.60 1pkj s ARG 117 Ca 0.72 2.01 -0.02 0.00 -0.47 0.00 0.00 55.73 57.98 1pkj s ARG 117 Cb -0.24 -2.58 0.43 0.00 -0.57 0.00 0.00 34.95 31.99 1pkj s ARG 117 CO 0.32 -0.57 1.89 0.77 -1.08 0.00 0.00 175.30 176.62 1pkj h SER 118 N 2.34 1.01 -0.33 -2.89 0.02 -1.92 -1.52 113.55 110.26 1pkj h SER 118 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1pkj h SER 118 Cb 1.25 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1pkj h SER 118 CO 0.61 0.65 0.22 0.77 -1.14 0.00 0.00 176.83 177.94 1pkj h SER 119 N 1.15 0.39 0.72 3.07 4.64 -1.98 0.29 113.55 121.83 1pkj h SER 119 Ca 0.42 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.47 1pkj h SER 119 Cb 0.17 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1pkj h SER 119 CO -0.17 0.29 -1.31 -0.07 -0.87 0.00 0.00 176.83 174.70 1pkj h LEU 120 N 0.46 0.13 -1.82 5.97 3.38 -1.70 -3.18 115.31 118.55 1pkj h LEU 120 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1pkj h LEU 120 Cb -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pkj h LEU 120 CO -0.03 1.14 -0.15 1.23 0.09 0.00 0.00 178.44 180.73 1pkj h GLY 121 N 2.68 0.00 2.00 0.83 0.00 -0.32 0.01 103.07 108.27 1pkj h GLY 121 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1pkj h GLY 121 CO 0.13 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.58 1pkj h ARG 122 N 0.00 0.00 -0.21 4.80 2.43 -0.95 -2.03 114.38 118.41 1pkj h ARG 122 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1pkj h ARG 122 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1pkj h ARG 122 CO 0.02 0.00 -0.02 1.33 -1.51 0.00 0.00 179.97 179.79 1pkj n VAL 123 N -2.97 2.24 -3.38 0.20 0.24 -0.44 -4.96 118.33 109.25 1pkj n VAL 123 Ca 0.01 -2.14 -0.24 0.00 -2.04 0.00 0.00 64.34 59.93 1pkj n VAL 123 Cb 0.29 -0.26 0.06 0.00 -1.47 0.00 0.00 33.84 32.45 1pkj n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pkj n PHE 124 N -0.84 -2.49 -4.11 6.34 3.72 -0.76 -4.73 117.46 114.59 1pkj n PHE 124 Ca 0.22 0.81 -0.34 0.00 -0.05 0.00 0.00 57.45 58.09 1pkj n PHE 124 Cb 0.85 -4.76 -0.14 0.00 -0.94 0.00 0.00 39.48 34.49 1pkj n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1pkj s LEU 125 N -7.06 2.85 0.05 4.37 1.98 -0.14 -1.22 118.68 119.51 1pkj s LEU 125 Ca 0.48 -0.37 0.09 0.00 -2.89 0.00 0.00 54.13 51.43 1pkj s LEU 125 Cb -0.21 -1.70 -0.03 0.00 0.66 0.00 0.00 46.19 44.90 1pkj s LEU 125 CO 0.59 0.03 -0.24 0.42 -1.89 0.00 0.00 176.35 175.26 1pkj s THR 126 N 1.17 2.32 -0.20 3.68 -4.23 -0.51 -3.48 115.64 114.39 1pkj s THR 126 Ca 0.02 -1.36 0.14 0.00 -1.18 0.00 0.00 61.69 59.31 1pkj s THR 126 Cb -0.14 -1.93 0.31 0.00 1.34 0.00 0.00 72.50 72.07 1pkj s THR 126 CO -0.02 0.34 1.21 -1.54 -0.54 0.00 0.00 174.62 174.07 1pkj n SER 127 N 1.66 2.78 -3.63 3.99 3.41 -1.24 -0.79 113.62 119.79 1pkj n SER 127 Ca -0.17 -2.77 -0.09 0.00 -0.26 0.00 0.00 58.87 55.59 1pkj n SER 127 Cb 0.52 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1pkj n SER 127 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1pkj s HIS 128 N -2.35 -0.43 -0.38 7.33 2.46 -0.48 -1.78 115.29 119.66 1pkj s HIS 128 Ca 0.28 1.03 0.04 0.00 0.47 0.00 0.00 55.06 56.88 1pkj s HIS 128 Cb 0.23 0.38 0.08 0.00 -0.13 0.00 0.00 32.58 33.15 1pkj s HIS 128 CO 0.05 -0.22 0.94 1.04 -2.47 0.00 0.00 174.74 174.09 1pkj n GLN 129 N 2.05 1.88 -4.45 2.88 3.00 -1.26 -4.94 117.38 116.53 1pkj n GLN 129 Ca -0.12 -1.39 -0.22 0.00 -0.01 0.00 0.00 57.00 55.26 1pkj n GLN 129 Cb 0.56 -1.09 -0.10 0.00 0.00 0.00 0.00 30.24 29.61 1pkj n GLN 129 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1pkj s THR 130 N -0.79 1.58 0.32 5.09 -4.23 -1.26 -5.03 115.64 111.32 1pkj s THR 130 Ca 0.07 -2.09 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 1pkj s THR 130 Cb 0.04 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.62 1pkj s THR 130 CO 0.05 -0.21 1.67 0.00 -0.54 0.00 0.00 174.62 175.60 1pkj h ALA 131 N 2.20 1.68 0.00 3.99 0.00 -1.95 -3.46 119.26 121.71 1pkj h ALA 131 Ca -0.40 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pkj h ALA 131 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1pkj h ALA 131 CO 0.69 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1pkj n GLY 132 N -1.32 0.64 3.77 0.00 0.00 -1.26 -4.53 105.19 102.47 1pkj n GLY 132 Ca 0.27 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1pkj n GLY 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkj s TRP 133 N -2.00 3.18 -0.09 1.61 0.52 -1.26 -1.60 118.94 119.29 1pkj s TRP 133 Ca 0.00 1.50 0.03 0.00 0.02 0.00 0.00 56.10 57.64 1pkj s TRP 133 Cb 0.00 -3.57 -0.01 0.00 -1.15 0.00 0.00 33.47 28.74 1pkj s TRP 133 CO 0.00 -1.50 -0.18 0.42 0.02 0.00 0.00 176.95 175.71 1pkj s ILE 134 N -1.16 2.66 0.46 2.03 1.01 0.27 -4.96 121.20 121.51 1pkj s ILE 134 Ca 0.48 -0.82 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 1pkj s ILE 134 Cb -0.37 -2.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 1pkj s ILE 134 CO 0.49 0.55 1.32 -1.81 0.00 0.00 0.00 174.94 175.49 1pkj s ASP 135 N 0.04 5.91 0.51 3.58 1.01 -1.26 -2.90 116.67 123.55 1pkj s ASP 135 Ca -0.07 2.68 -0.23 0.00 0.71 0.00 0.00 52.55 55.64 1pkj s ASP 135 Cb -0.15 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.09 1pkj s ASP 135 CO 0.05 -1.12 1.37 0.00 0.21 0.00 0.00 175.17 175.67 1pkj s ALA 136 N -1.31 2.97 0.00 5.23 0.00 -1.24 -1.81 121.76 125.60 1pkj s ALA 136 Ca 0.63 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1pkj s ALA 136 Cb -0.38 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1pkj s ALA 136 CO 0.48 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1pkj n GLY 137 N 0.66 1.21 3.77 0.00 0.00 -0.66 -4.81 105.19 105.35 1pkj n GLY 137 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1pkj n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pkj s PHE 138 N -2.56 2.50 -0.06 1.61 5.36 -0.75 -4.66 117.98 119.42 1pkj s PHE 138 Ca 0.00 1.28 -0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1pkj s PHE 138 Cb 0.00 -3.89 0.03 0.00 -0.34 0.00 0.00 43.02 38.82 1pkj s PHE 138 CO 0.00 -2.83 0.01 0.15 -1.46 0.00 0.00 175.22 171.08 1pkj s LYS 139 N -2.43 0.48 0.00 10.12 1.02 -1.26 -0.79 119.74 126.88 1pkj s LYS 139 Ca 0.61 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1pkj s LYS 139 Cb -0.43 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.05 1pkj s LYS 139 CO 0.55 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1pkj n GLY 140 N 4.97 1.14 3.92 -3.33 0.00 -0.06 -4.99 105.19 106.83 1pkj n GLY 140 Ca -0.10 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 1pkj n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkj s LYS 141 N -1.46 1.94 -0.24 1.61 1.02 -1.26 -1.35 119.74 119.99 1pkj s LYS 141 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 1pkj s LYS 141 Cb 0.00 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1pkj s LYS 141 CO 0.00 -1.51 0.24 0.42 -0.92 0.00 0.00 175.35 173.58 1pkj s ILE 142 N -3.45 5.30 0.16 2.17 -1.09 -1.26 -4.92 121.20 118.10 1pkj s ILE 142 Ca 0.62 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 59.09 1pkj s ILE 142 Cb -0.10 -3.58 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1pkj s ILE 142 CO 0.47 0.29 1.00 -0.89 -1.23 0.00 0.00 174.94 174.59 1pkj s THR 143 N 1.32 4.22 -0.04 2.92 2.01 -1.26 -1.83 115.64 122.98 1pkj s THR 143 Ca 0.11 1.93 0.04 0.00 0.31 0.00 0.00 61.69 64.07 1pkj s THR 143 Cb -0.14 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1pkj s THR 143 CO 0.07 0.34 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.43 1pkj s LEU 144 N -0.34 2.76 -0.32 4.42 1.43 0.18 -4.95 118.68 121.85 1pkj s LEU 144 Ca 0.47 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1pkj s LEU 144 Cb -0.26 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.47 1pkj s LEU 144 CO 0.32 0.34 0.03 -1.61 0.23 0.00 0.00 176.35 175.66 1pkj s GLU 145 N -0.82 2.06 -0.23 1.70 8.01 -0.73 -0.54 118.70 128.14 1pkj s GLU 145 Ca 0.12 -1.55 -0.11 0.00 0.01 0.00 0.00 54.97 53.43 1pkj s GLU 145 Cb -0.11 -3.21 -0.05 0.00 -4.31 0.00 0.00 34.13 26.46 1pkj s GLU 145 CO 0.01 -0.78 0.20 0.42 0.01 0.00 0.00 175.26 175.12 1pkj s ILE 146 N 1.11 5.33 -0.05 -1.63 1.01 -0.03 -1.38 121.20 125.56 1pkj s ILE 146 Ca 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 1pkj s ILE 146 Cb -0.20 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1pkj s ILE 146 CO -0.04 0.33 0.12 -0.69 0.00 0.00 0.00 174.94 174.65 1pkj s VAL 147 N 1.11 -0.02 -0.18 2.92 1.01 0.03 -2.00 120.40 123.27 1pkj s VAL 147 Ca 0.10 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1pkj s VAL 147 Cb -0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1pkj s VAL 147 CO 0.05 0.03 0.09 0.00 0.00 0.00 0.00 175.10 175.28 1pkj s ALA 148 N 0.56 3.55 -1.78 5.51 0.00 -1.26 -1.42 121.76 126.91 1pkj s ALA 148 Ca -0.04 -0.72 0.15 0.00 0.00 0.00 0.00 51.96 51.35 1pkj s ALA 148 Cb -0.06 -1.99 0.17 0.00 0.00 0.00 0.00 23.12 21.25 1pkj s ALA 148 CO -0.02 0.24 1.04 1.19 0.00 0.00 0.00 175.76 178.21 1pkj n PHE 149 N 3.29 0.11 0.00 0.00 3.01 -0.36 -4.04 117.46 119.47 1pkj n PHE 149 Ca -0.17 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.21 1pkj n PHE 149 Cb 0.52 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1pkj n PHE 149 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pkj n ASP 150 N 0.85 0.00 -4.38 4.37 2.03 -1.26 -5.05 116.55 113.11 1pkj n ASP 150 Ca 0.10 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.22 1pkj n ASP 150 Cb 0.40 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.69 1pkj n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pkj s LYS 151 N -0.76 1.45 0.46 -0.67 -0.14 -1.26 -4.83 119.74 113.99 1pkj s LYS 151 Ca 0.00 -1.74 -0.25 0.00 -1.36 0.00 0.00 55.97 52.62 1pkj s LYS 151 Cb 0.00 -0.87 -0.08 0.00 -1.68 0.00 0.00 37.83 35.20 1pkj s LYS 151 CO 0.00 -0.04 1.43 -2.14 -0.76 0.00 0.00 175.35 173.84 1pkj s PRO 152 N -3.81 3.64 -0.02 -1.68 0.02 -1.26 -4.62 135.00 127.28 1pkj s PRO 152 Ca 0.29 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.81 1pkj s PRO 152 Cb 0.05 -2.63 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 1pkj s PRO 152 CO 0.10 -0.86 -0.21 0.08 -0.33 0.00 0.00 177.00 175.79 1pkj s VAL 153 N -1.20 1.65 -0.15 3.83 1.01 0.30 -4.92 120.40 120.91 1pkj s VAL 153 Ca 0.62 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1pkj s VAL 153 Cb -0.44 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1pkj s VAL 153 CO 0.57 0.47 0.48 -0.63 0.00 0.00 0.00 175.10 175.98 1pkj s ILE 154 N -0.47 5.17 0.03 2.22 1.01 -1.26 -0.83 121.20 127.06 1pkj s ILE 154 Ca 0.07 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.72 1pkj s ILE 154 Cb -0.08 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1pkj s ILE 154 CO -0.01 0.27 -0.21 -0.76 0.00 0.00 0.00 174.94 174.24 1pkj s LEU 155 N 1.01 2.45 0.05 2.97 1.43 0.03 -4.98 118.68 121.64 1pkj s LEU 155 Ca 0.24 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1pkj s LEU 155 Cb -0.15 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1pkj s LEU 155 CO 0.10 0.27 -0.15 -0.31 0.23 0.00 0.00 176.35 176.49 1pkj s TYR 156 N -0.86 2.65 0.30 0.29 1.51 -1.26 -1.24 117.35 118.73 1pkj s TYR 156 Ca 0.13 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1pkj s TYR 156 Cb -0.10 -1.48 -0.12 0.00 -0.11 0.00 0.00 41.96 40.15 1pkj s TYR 156 CO 0.04 0.31 1.49 1.17 -1.11 0.00 0.00 175.55 177.45 1pkj n LYS 157 N 1.35 2.45 -0.85 -0.62 4.81 0.98 -2.37 118.16 123.93 1pkj n LYS 157 Ca -0.16 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1pkj n LYS 157 Cb 0.52 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1pkj n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pkj n ASN 158 N 1.72 -1.83 -4.80 3.14 5.03 0.11 -4.97 115.26 113.66 1pkj n ASN 158 Ca 0.08 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.21 1pkj n ASN 158 Cb 0.36 -1.59 0.05 0.00 -1.02 0.00 0.00 39.78 37.58 1pkj n ASN 158 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pkj s GLN 159 N -0.72 2.85 0.06 3.52 -2.07 -1.00 -4.50 119.66 117.80 1pkj s GLN 159 Ca 0.00 1.07 -0.31 0.00 -1.82 0.00 0.00 55.36 54.30 1pkj s GLN 159 Cb 0.00 -1.98 -0.07 0.00 -1.09 0.00 0.00 33.01 29.88 1pkj s GLN 159 CO 0.00 -1.17 1.40 1.03 -1.32 0.00 0.00 175.29 175.22 1pkj s ARG 160 N -4.78 4.30 -0.09 9.60 0.52 -1.26 -0.66 118.95 126.58 1pkj s ARG 160 Ca 0.60 2.03 0.10 0.00 -0.52 0.00 0.00 55.73 57.94 1pkj s ARG 160 Cb -0.15 -3.41 -0.14 0.00 0.52 0.00 0.00 34.95 31.77 1pkj s ARG 160 CO 0.51 -0.50 0.08 1.51 0.02 0.00 0.00 175.30 176.92 1pkj n ILE 161 N 4.29 0.58 -2.94 1.52 0.13 -0.23 -4.86 119.36 117.86 1pkj n ILE 161 Ca 0.12 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.36 1pkj n ILE 161 Cb 0.43 -0.53 0.00 0.00 -0.84 0.00 0.00 39.64 38.70 1pkj n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pkj n GLY 162 N 2.25 1.60 3.05 4.50 0.00 -1.17 -1.83 105.19 113.60 1pkj n GLY 162 Ca -0.14 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 1pkj n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkj s GLN 163 N -0.41 0.51 -0.17 1.61 1.11 -0.07 -0.85 119.66 121.40 1pkj s GLN 163 Ca 0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 55.36 54.36 1pkj s GLN 163 Cb 0.00 0.11 -0.02 0.00 -1.01 0.00 0.00 33.01 32.09 1pkj s GLN 163 CO 0.00 -0.07 -0.05 -0.51 0.01 0.00 0.00 175.29 174.67 1pkj s LEU 164 N -2.31 3.05 -0.27 2.90 1.43 0.28 -1.42 118.68 122.34 1pkj s LEU 164 Ca -0.02 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1pkj s LEU 164 Cb 0.00 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1pkj s LEU 164 CO -0.06 0.10 0.10 -0.63 0.23 0.00 0.00 176.35 176.09 1pkj s ILE 165 N 0.74 4.45 -0.18 -0.59 -1.09 0.13 -1.42 121.20 123.24 1pkj s ILE 165 Ca -0.02 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.08 1pkj s ILE 165 Cb -0.15 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1pkj s ILE 165 CO 0.02 0.27 0.20 -0.36 -1.23 0.00 0.00 174.94 173.84 1pkj s PHE 166 N 1.62 3.44 0.01 3.97 0.08 -1.26 0.09 117.98 125.93 1pkj s PHE 166 Ca 0.06 0.45 0.06 0.00 0.12 0.00 0.00 56.93 57.62 1pkj s PHE 166 Cb -0.16 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 1pkj s PHE 166 CO 0.05 0.28 -0.18 0.45 -0.10 0.00 0.00 175.22 175.71 1pkj s SER 167 N 0.36 2.18 0.45 1.36 0.15 0.45 -0.47 113.70 118.18 1pkj s SER 167 Ca 0.12 -0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.15 1pkj s SER 167 Cb -0.12 -0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 63.89 1pkj s SER 167 CO 0.01 0.18 1.02 -0.54 1.20 0.00 0.00 173.24 175.11 1pkj s LYS 168 N -0.76 3.99 0.27 5.44 -0.14 0.08 -1.26 119.74 127.36 1pkj s LYS 168 Ca 0.06 1.35 -0.05 0.00 -1.36 0.00 0.00 55.97 55.97 1pkj s LYS 168 Cb -0.08 -2.23 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1pkj s LYS 168 CO 0.00 -0.27 0.53 -0.51 -0.76 0.00 0.00 175.35 174.34 1pkj s LEU 169 N -3.19 4.10 0.38 3.17 1.43 -0.57 -4.19 118.68 119.79 1pkj s LEU 169 Ca 0.64 0.69 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 1pkj s LEU 169 Cb -0.16 -3.50 0.74 0.00 0.03 0.00 0.00 46.19 43.31 1pkj s LEU 169 CO 0.20 -0.15 1.89 0.25 0.23 0.00 0.00 176.35 178.77 1pkj h LEU 170 N 1.87 0.24 -7.76 1.79 5.85 -1.97 -3.45 115.31 111.88 1pkj h LEU 170 Ca -0.47 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 1pkj h LEU 170 Cb 1.19 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 1pkj h LEU 170 CO 0.67 0.41 -0.25 -0.44 -0.34 0.00 0.00 178.44 178.49 1pkj s SER 171 N -6.87 -0.02 0.41 1.25 0.01 -1.26 -5.14 113.70 102.09 1pkj s SER 171 Ca -0.05 -0.61 -0.26 0.00 1.31 0.00 0.00 55.95 56.34 1pkj s SER 171 Cb 0.15 0.41 -0.09 0.00 0.21 0.00 0.00 66.02 66.71 1pkj s SER 171 CO 0.74 -0.82 1.39 -2.16 0.41 0.00 0.00 173.24 172.79 1pkj s PRO 172 N -3.87 3.91 0.16 12.44 0.04 -1.26 -4.82 135.00 141.60 1pkj s PRO 172 Ca 0.08 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.51 1pkj s PRO 172 Cb 0.03 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1pkj s PRO 172 CO -0.08 -0.61 0.20 0.00 0.04 0.00 0.00 177.00 176.55 1pkj s ALA 173 N -1.20 3.74 -0.36 8.56 0.00 0.54 -5.01 121.76 128.04 1pkj s ALA 173 Ca 0.57 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 1pkj s ALA 173 Cb -0.42 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1pkj s ALA 173 CO 0.55 0.50 0.84 0.34 0.00 0.00 0.00 175.76 177.99 1pkj s ASP 174 N -3.20 6.61 0.00 0.00 3.68 -1.26 -4.83 116.67 117.68 1pkj s ASP 174 Ca 0.33 0.47 0.18 0.00 2.13 0.00 0.00 52.55 55.66 1pkj s ASP 174 Cb -0.10 -2.42 1.03 0.00 -1.45 0.00 0.00 42.92 39.97 1pkj s ASP 174 CO 0.26 -0.77 1.51 1.33 0.13 0.00 0.00 175.17 177.63 1pkj n VAL 175 N 5.83 0.16 0.00 1.11 0.24 -1.26 -4.84 118.33 119.58 1pkj n VAL 175 Ca 0.05 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1pkj n VAL 175 Cb 0.48 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1pkj n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pkj n GLY 176 N 0.18 1.49 3.85 7.63 0.00 -1.26 -4.98 105.19 112.09 1pkj n GLY 176 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1pkj n GLY 176 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pkj s TYR 177 N -1.66 -0.17 0.02 1.61 1.13 -1.26 -5.19 117.35 111.83 1pkj s TYR 177 Ca 0.00 -0.28 -0.07 0.00 -1.41 0.00 0.00 57.07 55.31 1pkj s TYR 177 Cb 0.00 0.71 -0.00 0.00 -1.10 0.00 0.00 41.96 41.56 1pkj s TYR 177 CO 0.00 -1.21 0.13 -1.54 -2.51 0.00 0.00 175.55 170.43 1pkj s SER 178 N -2.93 0.07 -0.01 -0.18 1.04 -1.26 -5.10 113.70 105.33 1pkj s SER 178 Ca 0.11 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1pkj s SER 178 Cb -0.05 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1pkj s SER 178 CO 0.07 -0.44 -0.15 -1.61 0.98 0.00 0.00 173.24 172.09 1pkj s GLU 179 N -1.91 1.22 0.00 4.02 2.02 -1.26 -5.25 118.70 117.54 1pkj s GLU 179 Ca -0.11 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1pkj s GLU 179 Cb -0.05 -1.17 0.00 0.00 0.10 0.00 0.00 34.13 33.01 1pkj s GLU 179 CO -0.01 0.31 0.06 0.54 0.02 0.00 0.00 175.26 176.18