#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1phk n TYR 16 N 0.00 0.00 0.27 -5.13 4.01 -1.26 -1.03 117.16 114.02 1phk n TYR 16 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1phk n TYR 16 Cb 0.00 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 38.73 1phk n TYR 16 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1phk h GLU 17 N 0.00 0.00 0.00 -0.72 4.39 -2.04 -3.37 114.58 112.84 1phk h GLU 17 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1phk h GLU 17 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1phk h GLU 17 CO 0.00 0.00 -0.83 0.09 -1.16 0.00 0.00 179.01 177.11 1phk n ASN 18 N -2.48 2.23 -4.04 1.42 3.02 -0.20 -4.96 115.26 110.25 1phk n ASN 18 Ca 0.01 -0.27 -0.17 0.00 -0.03 0.00 0.00 54.58 54.12 1phk n ASN 18 Cb 0.51 1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 40.69 1phk n ASN 18 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1phk s TYR 19 N -2.01 0.77 -0.40 3.10 1.51 -0.33 -0.72 117.35 119.27 1phk s TYR 19 Ca -0.00 -0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 55.67 1phk s TYR 19 Cb 0.04 -0.48 0.04 0.00 -0.11 0.00 0.00 41.96 41.45 1phk s TYR 19 CO 0.23 -0.02 0.26 -2.00 -1.11 0.00 0.00 175.55 172.91 1phk s GLU 20 N -0.75 2.83 0.13 -0.62 2.12 0.94 -4.29 118.70 119.05 1phk s GLU 20 Ca -0.01 -1.17 -0.31 0.00 0.36 0.00 0.00 54.97 53.84 1phk s GLU 20 Cb -0.06 -3.84 -0.08 0.00 0.26 0.00 0.00 34.13 30.40 1phk s GLU 20 CO 0.00 -0.80 1.43 -1.25 -0.54 0.00 0.00 175.26 174.10 1phk s PRO 21 N 1.57 4.30 0.00 4.30 0.04 -1.26 -0.25 135.00 143.69 1phk s PRO 21 Ca 0.03 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1phk s PRO 21 Cb -0.21 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1phk s PRO 21 CO 0.07 -0.47 0.00 1.63 0.04 0.00 0.00 177.00 178.26 1phk n LYS 22 N 3.92 3.20 -2.12 4.56 4.76 0.11 -4.95 118.16 127.64 1phk n LYS 22 Ca 0.12 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.24 1phk n LYS 22 Cb 0.41 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.59 1phk n LYS 22 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1phk s GLU 23 N 4.64 3.76 0.18 1.97 4.04 -1.26 -4.61 118.70 127.42 1phk s GLU 23 Ca 0.00 0.84 -0.30 0.00 0.04 0.00 0.00 54.97 55.55 1phk s GLU 23 Cb 0.00 -2.11 -0.09 0.00 0.02 0.00 0.00 34.13 31.96 1phk s GLU 23 CO 0.00 -0.43 1.34 0.42 -1.84 0.00 0.00 175.26 174.75 1phk s ILE 24 N -2.92 3.20 -0.06 1.83 1.01 -1.26 -0.26 121.20 122.74 1phk s ILE 24 Ca 0.57 0.95 0.12 0.00 0.00 0.00 0.00 60.65 62.28 1phk s ILE 24 Cb -0.10 -3.61 -0.18 0.00 0.01 0.00 0.00 42.46 38.58 1phk s ILE 24 CO 0.43 0.12 0.18 0.18 0.00 0.00 0.00 174.94 175.86 1phk n LEU 25 N 2.97 0.00 0.00 2.97 4.77 0.99 -4.85 117.00 123.85 1phk n LEU 25 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1phk n LEU 25 Cb 0.42 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1phk n LEU 25 CO 0.58 0.12 0.94 0.61 -1.33 0.00 0.00 177.39 178.30 1phk n GLY 26 N 1.98 0.41 3.43 -0.72 0.00 -0.99 -4.99 105.19 104.31 1phk n GLY 26 Ca -0.09 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 1phk n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1phk s ARG 27 N -2.03 0.92 0.33 1.61 3.52 -1.26 -1.22 118.95 120.81 1phk s ARG 27 Ca 0.26 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1phk s ARG 27 Cb -0.02 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.79 1phk s ARG 27 CO 0.02 -0.27 0.10 0.41 -0.81 0.00 0.00 175.30 174.75 1phk n GLY 28 N 1.11 3.45 0.30 8.12 0.00 -0.20 -4.95 105.19 113.02 1phk n GLY 28 Ca -0.20 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 43.77 1phk n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1phk h VAL 29 N 1.50 0.81 0.00 1.61 2.07 -2.02 -3.14 116.25 117.07 1phk h VAL 29 Ca -0.26 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1phk h VAL 29 Cb 0.96 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1phk h VAL 29 CO 0.41 0.12 -0.02 -1.54 0.02 0.00 0.00 177.57 176.56 1phk n SER 30 N -4.83 1.69 -3.48 0.57 3.41 -1.26 -5.09 113.62 104.62 1phk n SER 30 Ca 0.14 -2.07 -0.17 0.00 -0.26 0.00 0.00 58.87 56.51 1phk n SER 30 Cb 0.35 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1phk n SER 30 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1phk s SER 31 N -1.22 1.27 -0.00 4.04 1.04 -1.19 -1.35 113.70 116.29 1phk s SER 31 Ca 0.06 -1.64 0.01 0.00 0.48 0.00 0.00 55.95 54.86 1phk s SER 31 Cb 0.05 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1phk s SER 31 CO 0.01 -1.07 -0.02 -0.69 0.98 0.00 0.00 173.24 172.45 1phk s VAL 32 N -3.50 0.13 -0.14 5.02 1.01 -0.37 -1.03 120.40 121.53 1phk s VAL 32 Ca 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1phk s VAL 32 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 1phk s VAL 32 CO 0.24 0.03 -0.17 -0.69 0.00 0.00 0.00 175.10 174.51 1phk s VAL 33 N -0.05 2.61 0.08 2.92 1.01 -0.36 0.11 120.40 126.72 1phk s VAL 33 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1phk s VAL 33 Cb -0.01 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1phk s VAL 33 CO -0.00 0.53 -0.14 -0.13 0.00 0.00 0.00 175.10 175.35 1phk s ARG 34 N 0.61 0.84 0.50 2.72 0.52 -0.26 -0.01 118.95 123.88 1phk s ARG 34 Ca -0.09 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 53.93 1phk s ARG 34 Cb -0.16 -0.85 -0.08 0.00 0.52 0.00 0.00 34.95 34.39 1phk s ARG 34 CO 0.03 0.19 1.04 0.50 0.02 0.00 0.00 175.30 177.08 1phk s ARG 35 N -1.83 3.72 0.11 3.54 3.52 0.64 -0.59 118.95 128.06 1phk s ARG 35 Ca -0.01 1.35 -0.13 0.00 -0.13 0.00 0.00 55.73 56.82 1phk s ARG 35 Cb -0.10 -2.08 0.02 0.00 -1.56 0.00 0.00 34.95 31.23 1phk s ARG 35 CO 0.02 -0.49 0.31 0.00 -0.81 0.00 0.00 175.30 174.33 1phk s ILE 37 N -3.75 2.84 -0.48 0.00 -1.09 0.65 -0.10 121.20 119.26 1phk s ILE 37 Ca 0.03 -0.72 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 1phk s ILE 37 Cb 0.03 -2.20 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 1phk s ILE 37 CO -0.11 0.51 1.35 -2.28 -1.23 0.00 0.00 174.94 173.19 1phk s HIS 38 N 0.68 2.44 0.19 3.97 5.65 0.64 -0.04 115.29 128.81 1phk s HIS 38 Ca -0.07 0.60 -0.22 0.00 0.25 0.00 0.00 55.06 55.62 1phk s HIS 38 Cb -0.16 -4.37 0.10 0.00 -1.18 0.00 0.00 32.58 26.97 1phk s HIS 38 CO 0.02 -1.83 1.57 0.87 -0.65 0.00 0.00 174.74 174.72 1phk h LYS 39 N 10.52 -0.15 -0.27 2.88 1.57 -1.24 1.12 116.57 130.99 1phk h LYS 39 Ca -0.26 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1phk h LYS 39 Cb 1.09 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1phk h LYS 39 CO 1.13 -0.10 0.08 -1.35 -0.57 0.00 0.00 179.45 178.64 1phk h PRO 40 N -0.16 0.20 0.00 3.15 0.11 -1.92 -3.16 132.00 130.22 1phk h PRO 40 Ca 0.23 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.20 1phk h PRO 40 Cb 0.56 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1phk h PRO 40 CO -0.74 0.13 -1.16 1.79 -0.21 0.00 0.00 178.00 177.82 1phk h THR 41 N 0.20 0.48 -0.05 -1.15 1.35 -1.85 -3.47 112.91 108.40 1phk h THR 41 Ca 0.12 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 1phk h THR 41 Cb 0.10 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1phk h THR 41 CO -0.13 0.27 -0.02 0.00 -0.25 0.00 0.00 175.52 175.39 1phk s LYS 43 N -1.02 4.12 0.17 0.00 1.02 -1.24 -4.73 119.74 118.06 1phk s LYS 43 Ca 0.00 0.80 -0.07 0.00 0.02 0.00 0.00 55.97 56.72 1phk s LYS 43 Cb 0.00 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1phk s LYS 43 CO 0.00 0.22 0.44 -1.83 -0.92 0.00 0.00 175.35 173.25 1phk s GLU 44 N -2.66 3.69 0.30 1.68 -1.05 -1.26 -0.26 118.70 119.14 1phk s GLU 44 Ca 0.51 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 1phk s GLU 44 Cb -0.12 -2.79 -0.00 0.00 -0.44 0.00 0.00 34.13 30.78 1phk s GLU 44 CO 0.18 0.42 0.38 0.66 0.95 0.00 0.00 175.26 177.85 1phk n TYR 45 N 0.05 -1.15 -5.23 4.83 4.01 0.85 -4.35 117.16 116.18 1phk n TYR 45 Ca -0.02 -2.11 -0.31 0.00 -0.16 0.00 0.00 57.90 55.30 1phk n TYR 45 Cb 0.52 0.42 -0.16 0.00 -0.31 0.00 0.00 39.34 39.81 1phk n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1phk s ALA 46 N -2.74 2.25 -0.13 -0.72 0.00 0.20 -0.04 121.76 120.57 1phk s ALA 46 Ca 0.27 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1phk s ALA 46 Cb -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1phk s ALA 46 CO 0.19 0.51 -0.13 0.54 0.00 0.00 0.00 175.76 176.87 1phk s VAL 47 N -0.54 1.45 -0.38 0.00 0.11 0.24 0.09 120.40 121.37 1phk s VAL 47 Ca 0.08 -0.57 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 1phk s VAL 47 Cb -0.11 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1phk s VAL 47 CO 0.00 0.44 0.50 -0.75 -3.33 0.00 0.00 175.10 171.96 1phk s LYS 48 N 1.39 3.43 -0.33 1.54 2.20 0.83 -1.10 119.74 127.70 1phk s LYS 48 Ca 0.02 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.15 1phk s LYS 48 Cb -0.13 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1phk s LYS 48 CO -0.08 -0.74 0.20 0.42 -0.36 0.00 0.00 175.35 174.78 1phk s ILE 49 N 2.36 4.87 -0.31 5.43 1.01 0.12 -0.83 121.20 133.85 1phk s ILE 49 Ca 0.17 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1phk s ILE 49 Cb -0.16 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1phk s ILE 49 CO 0.14 -0.01 0.16 -0.63 0.00 0.00 0.00 174.94 174.61 1phk s ILE 50 N 1.65 4.78 -0.69 2.92 1.01 -0.05 -1.23 121.20 129.58 1phk s ILE 50 Ca 0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 1phk s ILE 50 Cb -0.17 -3.40 0.09 0.00 0.01 0.00 0.00 42.46 38.98 1phk s ILE 50 CO 0.08 0.10 0.93 -0.62 0.00 0.00 0.00 174.94 175.43 1phk s ASP 51 N 1.65 6.25 0.40 3.58 2.15 -0.46 -0.82 116.67 129.43 1phk s ASP 51 Ca 0.05 -1.27 0.09 0.00 0.43 0.00 0.00 52.55 51.85 1phk s ASP 51 Cb -0.17 -2.39 0.87 0.00 -0.30 0.00 0.00 42.92 40.93 1phk s ASP 51 CO 0.07 -1.30 2.00 0.58 -0.17 0.00 0.00 175.17 176.36 1phk h VAL 52 N 5.93 1.02 0.00 1.11 2.07 -0.69 -2.24 116.25 123.45 1phk h VAL 52 Ca -0.22 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1phk h VAL 52 Cb 1.07 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1phk h VAL 52 CO 1.15 0.11 0.00 0.71 0.02 0.00 0.00 177.57 179.56 1phk h THR 53 N 0.58 0.00 0.00 2.57 1.35 -1.87 -3.39 112.91 112.15 1phk h THR 53 Ca 0.24 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1phk h THR 53 Cb 0.22 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1phk h THR 53 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1phk n GLY 54 N 0.81 0.56 0.00 5.82 0.00 -0.85 -4.72 105.19 106.82 1phk n GLY 54 Ca 0.03 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1phk n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1phk n GLY 55 N 0.00 2.63 0.38 -0.02 0.00 -1.26 -5.02 105.19 101.89 1phk n GLY 55 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1phk n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1phk h GLY 56 N 0.00 -0.38 2.00 -0.02 0.00 -2.02 0.22 103.07 102.87 1phk h GLY 56 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1phk h GLY 56 CO 0.00 -0.18 0.00 -1.26 0.00 0.00 0.00 176.54 175.10 1phk n SER 57 N -5.42 0.02 -4.01 0.19 2.88 -1.26 -4.02 113.62 102.01 1phk n SER 57 Ca 0.02 0.51 -0.43 0.00 -1.33 0.00 0.00 58.87 57.64 1phk n SER 57 Cb 0.35 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1phk n SER 57 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1phk n PHE 58 N -1.52 3.72 -0.83 0.66 3.01 0.79 -4.77 117.46 118.51 1phk n PHE 58 Ca 0.03 -2.94 -0.29 0.00 1.01 0.00 0.00 57.45 55.26 1phk n PHE 58 Cb 0.15 -2.34 0.23 0.00 -0.01 0.00 0.00 39.48 37.52 1phk n PHE 58 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1phk s SER 59 N 2.61 1.08 0.34 4.37 1.04 -1.26 -4.54 113.70 117.33 1phk s SER 59 Ca 0.45 1.09 0.13 0.00 0.48 0.00 0.00 55.95 58.10 1phk s SER 59 Cb 0.09 -1.66 1.01 0.00 0.10 0.00 0.00 66.02 65.56 1phk s SER 59 CO -0.02 -4.08 1.70 0.00 0.98 0.00 0.00 173.24 171.82 1phk h ALA 60 N -2.54 1.91 0.07 5.32 0.00 -1.95 0.37 119.26 122.43 1phk h ALA 60 Ca -0.53 0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1phk h ALA 60 Cb 1.33 0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.23 1phk h ALA 60 CO 0.46 -0.46 -0.85 1.05 0.00 0.00 0.00 179.25 179.45 1phk h GLU 61 N 0.44 0.46 -0.59 0.00 9.09 -1.97 -3.36 114.58 118.65 1phk h GLU 61 Ca 0.69 -0.58 0.09 0.00 0.05 0.00 0.00 59.36 59.61 1phk h GLU 61 Cb 1.49 0.19 -0.07 0.00 -1.65 0.00 0.00 28.75 28.71 1phk h GLU 61 CO -0.53 1.23 0.23 0.93 0.05 0.00 0.00 179.01 180.91 1phk h GLU 62 N -0.04 0.40 -0.84 1.06 4.39 -1.23 -1.35 114.58 116.96 1phk h GLU 62 Ca -0.13 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.71 1phk h GLU 62 Cb 1.58 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 30.04 1phk h GLU 62 CO 0.16 0.26 0.41 0.28 -1.16 0.00 0.00 179.01 178.97 1phk h VAL 63 N 0.41 0.68 -0.01 3.13 2.07 -1.60 0.27 116.25 121.19 1phk h VAL 63 Ca 0.30 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 1phk h VAL 63 Cb 0.35 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1phk h VAL 63 CO -0.29 0.10 -0.50 -0.61 0.02 0.00 0.00 177.57 176.29 1phk h GLN 64 N 0.56 0.03 -0.82 1.57 4.15 -1.43 -1.92 115.11 117.26 1phk h GLN 64 Ca 0.47 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.86 1phk h GLN 64 Cb 0.71 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1phk h GLN 64 CO -0.39 0.53 0.47 0.93 -1.93 0.00 0.00 178.83 178.44 1phk h GLU 65 N 0.03 1.12 -0.06 1.69 4.39 0.24 -1.96 114.58 120.03 1phk h GLU 65 Ca -0.00 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1phk h GLU 65 Cb 0.90 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1phk h GLU 65 CO 0.07 0.80 -0.45 1.25 -1.16 0.00 0.00 179.01 179.52 1phk h LEU 66 N 1.14 0.50 -0.28 1.33 6.46 -1.03 -2.55 115.31 120.88 1phk h LEU 66 Ca 0.29 -0.68 0.06 0.00 -0.12 0.00 0.00 57.88 57.42 1phk h LEU 66 Cb -0.01 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 1phk h LEU 66 CO -0.05 1.11 -0.07 -0.09 -0.62 0.00 0.00 178.44 178.71 1phk h ARG 67 N -0.07 -0.00 -0.69 1.25 2.43 -1.12 0.18 114.38 116.36 1phk h ARG 67 Ca -0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1phk h ARG 67 Cb 1.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1phk h ARG 67 CO 0.09 -0.00 0.26 0.93 -1.51 0.00 0.00 179.97 179.74 1phk h GLU 68 N -0.00 1.02 -0.31 0.20 3.07 -1.43 -1.86 114.58 115.28 1phk h GLU 68 Ca 0.13 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1phk h GLU 68 Cb 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1phk h GLU 68 CO -0.29 0.84 0.02 0.00 -1.40 0.00 0.00 179.01 178.19 1phk h ALA 69 N 1.28 0.41 -0.56 3.43 0.00 -0.89 -1.44 119.26 121.50 1phk h ALA 69 Ca 0.23 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1phk h ALA 69 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1phk h ALA 69 CO -0.02 0.14 0.32 1.15 0.00 0.00 0.00 179.25 180.84 1phk h THR 70 N 0.33 1.02 -0.81 0.00 2.02 -0.43 0.93 112.91 115.98 1phk h THR 70 Ca 0.09 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1phk h THR 70 Cb 0.40 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1phk h THR 70 CO 0.01 0.11 0.54 -0.07 0.37 0.00 0.00 175.52 176.48 1phk h LEU 71 N 0.62 0.92 -0.35 2.58 3.38 -1.15 0.98 115.31 122.29 1phk h LEU 71 Ca 0.23 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1phk h LEU 71 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1phk h LEU 71 CO -0.12 0.66 0.00 0.50 0.09 0.00 0.00 178.44 179.57 1phk h LYS 72 N 1.08 0.62 -0.14 1.13 3.64 -0.17 -0.37 116.57 122.35 1phk h LYS 72 Ca 0.30 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1phk h LYS 72 Cb -0.10 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1phk h LYS 72 CO -0.07 0.73 -0.18 1.49 -2.27 0.00 0.00 179.45 179.15 1phk h GLU 73 N 0.43 -0.22 -0.86 1.90 4.81 0.82 0.20 114.58 121.66 1phk h GLU 73 Ca 0.10 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1phk h GLU 73 Cb 0.45 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1phk h GLU 73 CO 0.02 -0.14 0.56 0.28 -0.73 0.00 0.00 179.01 178.99 1phk h VAL 74 N -0.22 1.16 0.02 0.32 2.07 -0.81 0.32 116.25 119.10 1phk h VAL 74 Ca 0.10 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1phk h VAL 74 Cb 0.37 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1phk h VAL 74 CO -0.27 0.20 -0.02 -0.78 0.02 0.00 0.00 177.57 176.72 1phk h ASP 75 N 1.09 -0.05 -0.33 0.57 3.58 0.34 0.41 116.42 122.04 1phk h ASP 75 Ca 0.34 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1phk h ASP 75 Cb -0.02 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1phk h ASP 75 CO -0.11 -0.03 0.16 0.40 -2.88 0.00 0.00 179.24 176.78 1phk h ILE 76 N -0.04 1.16 -0.50 2.25 1.08 -0.35 -0.67 117.51 120.43 1phk h ILE 76 Ca 0.00 -0.44 0.10 0.00 -0.39 0.00 0.00 64.86 64.12 1phk h ILE 76 Cb 0.04 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 34.56 1phk h ILE 76 CO -0.01 0.16 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.54 1phk h LEU 77 N 0.40 -0.22 -0.98 1.44 3.38 -0.60 0.31 115.31 119.04 1phk h LEU 77 Ca 0.11 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1phk h LEU 77 Cb 0.11 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1phk h LEU 77 CO -0.01 -0.08 0.28 0.03 0.09 0.00 0.00 178.44 178.75 1phk h ARG 78 N 0.11 1.02 -0.30 1.13 3.08 -0.57 -0.18 114.38 118.67 1phk h ARG 78 Ca 0.25 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1phk h ARG 78 Cb 0.38 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1phk h ARG 78 CO -0.42 0.83 -0.19 0.87 -1.07 0.00 0.00 179.97 179.99 1phk h LYS 79 N 1.00 0.54 -0.02 0.04 1.57 0.55 -3.06 116.57 117.19 1phk h LYS 79 Ca 0.23 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1phk h LYS 79 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1phk h LYS 79 CO -0.02 0.71 -0.29 1.33 -0.57 0.00 0.00 179.45 180.61 1phk n VAL 80 N -4.15 0.00 -1.63 0.50 0.24 -0.15 -4.97 118.33 108.18 1phk n VAL 80 Ca 0.00 -0.26 -0.47 0.00 -2.04 0.00 0.00 64.34 61.57 1phk n VAL 80 Cb 0.38 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1phk n VAL 80 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1phk n SER 81 N 0.04 2.15 0.00 -1.34 2.88 -0.12 -3.03 113.62 114.20 1phk n SER 81 Ca 0.12 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1phk n SER 81 Cb 0.44 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1phk n SER 81 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1phk n GLY 82 N 2.33 1.81 3.72 0.46 0.00 -1.26 -5.06 105.19 107.19 1phk n GLY 82 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1phk n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1phk s HIS 83 N -2.10 3.71 0.58 1.61 5.04 -1.17 -4.94 115.29 118.02 1phk s HIS 83 Ca 0.00 1.67 0.29 0.00 -1.54 0.00 0.00 55.06 55.48 1phk s HIS 83 Cb 0.00 -3.04 1.46 0.00 0.04 0.00 0.00 32.58 31.04 1phk s HIS 83 CO 0.00 0.09 1.88 -1.35 -2.34 0.00 0.00 174.74 173.03 1phk h PRO 84 N 6.30 0.00 -0.12 2.88 0.11 -1.98 -1.71 132.00 137.49 1phk h PRO 84 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1phk h PRO 84 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1phk h PRO 84 CO 0.74 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 1phk n ASN 85 N -3.77 2.81 -4.47 -2.05 4.13 -1.26 -4.93 115.26 105.72 1phk n ASN 85 Ca 0.10 -2.76 -0.31 0.00 1.68 0.00 0.00 54.58 53.29 1phk n ASN 85 Cb 0.72 -0.37 -0.12 0.00 -1.54 0.00 0.00 39.78 38.46 1phk n ASN 85 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1phk s ILE 86 N -2.33 2.85 0.40 2.41 1.01 -0.64 0.43 121.20 125.33 1phk s ILE 86 Ca 0.29 -1.23 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1phk s ILE 86 Cb 0.23 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1phk s ILE 86 CO 0.06 0.29 1.38 -0.51 0.00 0.00 0.00 174.94 176.16 1phk s ILE 87 N -0.97 2.34 -0.29 2.92 1.10 0.11 -4.74 121.20 121.68 1phk s ILE 87 Ca 0.15 0.32 -0.10 0.00 -0.51 0.00 0.00 60.65 60.52 1phk s ILE 87 Cb -0.11 -3.20 -0.03 0.00 0.15 0.00 0.00 42.46 39.28 1phk s ILE 87 CO 0.06 0.06 0.15 -1.58 -2.11 0.00 0.00 174.94 171.52 1phk s GLN 88 N -2.20 3.60 -0.05 3.50 0.74 -1.26 -4.83 119.66 119.16 1phk s GLN 88 Ca 0.56 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 55.13 1phk s GLN 88 Cb -0.42 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 1phk s GLN 88 CO 0.55 -0.29 1.18 -1.17 -0.55 0.00 0.00 175.29 175.01 1phk s LEU 89 N 1.66 4.29 -0.13 3.68 2.96 -1.26 -3.35 118.68 126.53 1phk s LEU 89 Ca 0.06 1.81 0.11 0.00 -0.22 0.00 0.00 54.13 55.89 1phk s LEU 89 Cb -0.16 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 1phk s LEU 89 CO 0.07 -0.55 0.03 0.29 -1.32 0.00 0.00 176.35 174.87 1phk n LYS 90 N 5.03 1.75 -3.49 1.98 4.76 0.15 -4.99 118.16 123.35 1phk n LYS 90 Ca 0.10 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1phk n LYS 90 Cb 0.46 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1phk n LYS 90 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1phk s ASP 91 N -4.69 -0.47 0.02 4.39 -1.08 -1.16 -4.99 116.67 108.70 1phk s ASP 91 Ca -0.08 -0.05 -0.11 0.00 -0.52 0.00 0.00 52.55 51.79 1phk s ASP 91 Cb 0.04 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 42.07 1phk s ASP 91 CO 0.53 -0.91 0.24 -0.89 0.52 0.00 0.00 175.17 174.65 1phk s THR 92 N -3.59 0.09 0.01 1.71 2.01 -1.25 -0.57 115.64 114.04 1phk s THR 92 Ca 0.01 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 1phk s THR 92 Cb -0.00 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1phk s THR 92 CO -0.11 -0.40 0.26 -0.31 -0.69 0.00 0.00 174.62 173.37 1phk s TYR 93 N -2.14 -0.09 -0.08 4.92 1.51 -0.25 -4.96 117.35 116.25 1phk s TYR 93 Ca -0.08 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 55.95 1phk s TYR 93 Cb -0.03 0.05 0.02 0.00 -0.11 0.00 0.00 41.96 41.90 1phk s TYR 93 CO -0.01 -0.40 0.25 -2.00 -1.11 0.00 0.00 175.55 172.28 1phk s GLU 94 N -1.76 0.35 0.33 -0.62 2.12 -1.26 -0.70 118.70 117.15 1phk s GLU 94 Ca -0.11 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.52 1phk s GLU 94 Cb -0.04 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 1phk s GLU 94 CO 0.01 -0.05 0.21 0.95 -0.54 0.00 0.00 175.26 175.83 1phk s THR 95 N -0.11 0.20 -1.90 -1.70 -4.23 -0.67 -5.01 115.64 102.23 1phk s THR 95 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1phk s THR 95 Cb -0.03 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1phk s THR 95 CO 0.01 0.00 0.21 -0.46 -0.54 0.00 0.00 174.62 173.84 1phk n ASN 96 N -1.23 0.02 0.00 3.99 6.94 -1.26 -3.55 115.26 120.17 1phk n ASN 96 Ca 0.03 -0.44 0.00 0.00 -0.02 0.00 0.00 54.58 54.14 1phk n ASN 96 Cb 0.64 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1phk n ASN 96 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1phk n THR 97 N -0.41 0.00 -4.39 5.53 -1.04 -1.26 -4.90 114.28 107.81 1phk n THR 97 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1phk n THR 97 Cb 0.01 -0.06 -0.11 0.00 -1.82 0.00 0.00 70.33 68.35 1phk n THR 97 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1phk s PHE 98 N -1.18 2.39 0.05 -1.42 0.40 -1.23 0.03 117.98 117.01 1phk s PHE 98 Ca 0.00 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1phk s PHE 98 Cb 0.00 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 1phk s PHE 98 CO 0.00 0.53 -0.21 -0.06 0.70 0.00 0.00 175.22 176.18 1phk s PHE 99 N -1.80 2.47 -0.28 0.36 0.40 0.00 -1.66 117.98 117.48 1phk s PHE 99 Ca 0.23 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1phk s PHE 99 Cb -0.08 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.10 1phk s PHE 99 CO 0.12 0.22 0.04 -0.06 0.70 0.00 0.00 175.22 176.24 1phk s PHE 100 N -0.89 2.10 -0.22 0.36 0.40 0.12 -0.87 117.98 118.98 1phk s PHE 100 Ca 0.14 -1.80 -0.08 0.00 -0.60 0.00 0.00 56.93 54.59 1phk s PHE 100 Cb -0.10 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 1phk s PHE 100 CO 0.04 -0.82 0.09 -0.51 0.70 0.00 0.00 175.22 174.72 1phk s LEU 101 N 1.49 3.72 -0.21 -0.37 1.43 -0.01 -1.09 118.68 123.64 1phk s LEU 101 Ca 0.04 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1phk s LEU 101 Cb -0.18 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1phk s LEU 101 CO -0.15 0.07 0.02 -0.69 0.23 0.00 0.00 176.35 175.83 1phk s VAL 102 N 1.01 4.15 0.32 -1.59 1.01 0.27 -0.12 120.40 125.46 1phk s VAL 102 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1phk s VAL 102 Cb -0.14 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1phk s VAL 102 CO 0.03 0.42 0.00 -0.36 0.00 0.00 0.00 175.10 175.19 1phk s PHE 103 N 1.01 2.04 0.53 5.22 0.08 0.11 0.35 117.98 127.32 1phk s PHE 103 Ca 0.02 -0.81 -0.21 0.00 0.12 0.00 0.00 56.93 56.06 1phk s PHE 103 Cb -0.14 -1.28 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 1phk s PHE 103 CO 0.02 0.19 1.18 -0.51 -0.10 0.00 0.00 175.22 176.00 1phk s ASP 104 N -3.50 5.69 -0.10 1.36 1.01 -1.21 -0.62 116.67 119.30 1phk s ASP 104 Ca 0.33 2.32 -0.30 0.00 0.71 0.00 0.00 52.55 55.62 1phk s ASP 104 Cb 0.07 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1phk s ASP 104 CO 0.14 -1.24 1.06 -0.22 0.21 0.00 0.00 175.17 175.12 1phk s LEU 105 N -3.59 4.25 -0.53 1.23 2.96 -1.26 -4.34 118.68 117.40 1phk s LEU 105 Ca 0.71 1.60 -0.18 0.00 -0.22 0.00 0.00 54.13 56.04 1phk s LEU 105 Cb -0.28 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 42.93 1phk s LEU 105 CO 0.33 -0.50 0.61 -0.04 -1.32 0.00 0.00 176.35 175.42 1phk s MET 106 N 2.13 3.06 0.09 1.98 -1.94 -1.26 -4.96 119.30 118.41 1phk s MET 106 Ca 0.50 -1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 53.15 1phk s MET 106 Cb -0.20 -4.18 -0.10 0.00 2.01 0.00 0.00 34.83 32.37 1phk s MET 106 CO 0.18 -1.31 1.40 0.87 -0.01 0.00 0.00 175.02 176.16 1phk h LYS 107 N 9.01 0.68 -0.37 2.03 1.79 -1.89 -3.18 116.57 124.65 1phk h LYS 107 Ca -0.29 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 1phk h LYS 107 Cb 1.10 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1phk h LYS 107 CO 1.00 0.99 0.00 1.63 -1.08 0.00 0.00 179.45 181.99 1phk n LYS 108 N -4.26 0.98 0.00 3.15 4.76 -0.96 -5.00 118.16 116.84 1phk n LYS 108 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1phk n LYS 108 Cb 0.48 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 1phk n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1phk n GLY 109 N 0.31 1.80 3.86 0.72 0.00 -1.20 -4.56 105.19 106.10 1phk n GLY 109 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1phk n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1phk s GLU 110 N 0.00 3.95 0.42 1.61 2.02 -1.26 0.59 118.70 126.03 1phk s GLU 110 Ca 0.00 0.56 0.15 0.00 0.02 0.00 0.00 54.97 55.71 1phk s GLU 110 Cb 0.00 -2.49 0.91 0.00 0.10 0.00 0.00 34.13 32.65 1phk s GLU 110 CO 0.00 0.20 1.91 1.25 0.02 0.00 0.00 175.26 178.65 1phk h LEU 111 N 2.35 0.00 0.07 1.80 5.85 -0.51 -1.53 115.31 123.33 1phk h LEU 111 Ca -0.48 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1phk h LEU 111 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1phk h LEU 111 CO 0.66 0.27 -0.03 0.15 -0.34 0.00 0.00 178.44 179.15 1phk h PHE 112 N 0.00 -0.09 -0.21 1.25 3.57 -1.76 0.18 116.94 119.88 1phk h PHE 112 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1phk h PHE 112 Cb 0.51 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1phk h PHE 112 CO 0.00 0.05 0.00 -0.44 -2.23 0.00 0.00 178.31 175.69 1phk h ASP 113 N -0.21 -0.07 -0.29 0.41 3.32 -1.64 0.25 116.42 118.18 1phk h ASP 113 Ca -0.01 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1phk h ASP 113 Cb 0.18 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1phk h ASP 113 CO 0.02 -0.01 0.04 0.22 -1.72 0.00 0.00 179.24 177.79 1phk h TYR 114 N 0.07 0.06 -0.44 4.55 3.20 -1.14 -1.18 116.97 122.10 1phk h TYR 114 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1phk h TYR 114 Cb 0.12 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1phk h TYR 114 CO -0.18 -0.00 0.17 1.25 -1.64 0.00 0.00 178.16 177.77 1phk h LEU 115 N 0.14 0.57 -0.16 2.82 5.85 -0.04 -0.36 115.31 124.13 1phk h LEU 115 Ca 0.14 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1phk h LEU 115 Cb 0.16 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1phk h LEU 115 CO -0.20 0.52 -0.12 0.74 -0.34 0.00 0.00 178.44 179.04 1phk h THR 116 N 0.63 0.65 -0.13 1.05 2.02 0.71 0.32 112.91 118.15 1phk h THR 116 Ca 0.15 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.28 1phk h THR 116 Cb 0.13 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1phk h THR 116 CO -0.01 0.00 -0.11 -0.33 0.37 0.00 0.00 175.52 175.44 1phk h GLU 117 N -0.13 0.31 0.00 6.66 5.08 -0.89 -3.16 114.58 122.45 1phk h GLU 117 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1phk h GLU 117 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1phk h GLU 117 CO -0.24 0.69 0.00 1.63 -1.00 0.00 0.00 179.01 180.09 1phk n LYS 118 N -4.61 0.14 0.00 2.33 4.76 -0.19 -4.89 118.16 115.70 1phk n LYS 118 Ca -0.06 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1phk n LYS 118 Cb 0.33 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1phk n LYS 118 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1phk n VAL 119 N -1.99 0.00 -3.91 -0.18 0.31 0.11 -4.63 118.33 108.05 1phk n VAL 119 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1phk n VAL 119 Cb 0.26 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.12 1phk n VAL 119 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1phk s THR 120 N 0.00 0.07 0.22 2.52 -4.23 -1.26 -4.13 115.64 108.83 1phk s THR 120 Ca 0.00 -1.26 0.11 0.00 -1.18 0.00 0.00 61.69 59.36 1phk s THR 120 Cb 0.00 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 1phk s THR 120 CO 0.00 -0.31 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.84 1phk s LEU 121 N -2.94 2.68 1.01 4.79 1.43 0.65 -5.01 118.68 121.30 1phk s LEU 121 Ca 0.14 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1phk s LEU 121 Cb 0.03 -1.33 0.20 0.00 0.03 0.00 0.00 46.19 45.12 1phk s LEU 121 CO -0.02 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.79 1phk s SER 122 N -3.03 2.48 0.24 2.29 1.04 -1.26 -4.45 113.70 111.01 1phk s SER 122 Ca 0.25 1.23 0.05 0.00 0.48 0.00 0.00 55.95 57.96 1phk s SER 122 Cb -0.07 -1.91 0.27 0.00 0.10 0.00 0.00 66.02 64.41 1phk s SER 122 CO 0.13 -3.23 1.57 -0.08 0.98 0.00 0.00 173.24 172.62 1phk h GLU 123 N -1.96 0.23 -0.25 4.02 4.81 -1.97 -1.20 114.58 118.25 1phk h GLU 123 Ca -0.55 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 58.33 1phk h GLU 123 Cb 1.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1phk h GLU 123 CO 0.57 0.75 -0.60 0.87 -0.73 0.00 0.00 179.01 179.87 1phk h LYS 124 N 0.17 0.84 0.07 1.92 1.57 -1.99 -1.24 116.57 117.92 1phk h LYS 124 Ca -0.00 -0.56 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1phk h LYS 124 Cb 1.09 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1phk h LYS 124 CO 0.09 1.19 -0.04 1.49 -0.57 0.00 0.00 179.45 181.62 1phk h GLU 125 N 0.63 -0.10 -0.95 3.15 4.81 -1.91 -2.49 114.58 117.72 1phk h GLU 125 Ca -0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1phk h GLU 125 Cb 1.21 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 1phk h GLU 125 CO 0.13 0.27 0.60 1.15 -0.73 0.00 0.00 179.01 180.43 1phk h THR 126 N -0.48 0.77 -0.18 0.32 2.02 -1.23 0.59 112.91 114.72 1phk h THR 126 Ca -0.01 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1phk h THR 126 Cb 0.41 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1phk h THR 126 CO 0.02 0.13 -0.16 -0.09 0.37 0.00 0.00 175.52 175.78 1phk h ARG 127 N 0.69 0.29 0.42 6.66 2.43 -1.06 0.24 114.38 124.06 1phk h ARG 127 Ca 0.51 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 1phk h ARG 127 Cb 0.86 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1phk h ARG 127 CO -0.27 0.45 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.23 1phk h LYS 128 N 0.27 -0.54 0.09 0.20 3.11 0.61 -1.99 116.57 118.32 1phk h LYS 128 Ca 0.05 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1phk h LYS 128 Cb 0.45 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1phk h LYS 128 CO 0.03 -0.24 -0.04 0.82 -2.81 0.00 0.00 179.45 177.21 1phk h ILE 129 N -0.85 0.94 -0.90 2.00 2.04 -1.16 -2.88 117.51 116.70 1phk h ILE 129 Ca -0.06 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1phk h ILE 129 Cb 0.55 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1phk h ILE 129 CO 0.09 0.02 0.58 0.24 0.00 0.00 0.00 178.15 179.08 1phk h MET 130 N -0.15 1.08 -0.37 2.37 2.86 -0.58 -0.02 114.93 120.13 1phk h MET 130 Ca -0.01 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1phk h MET 130 Cb 0.12 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1phk h MET 130 CO 0.02 0.72 0.12 -0.09 1.06 0.00 0.00 176.91 178.74 1phk h ARG 131 N 1.12 0.26 -0.23 1.72 2.43 -1.22 0.11 114.38 118.57 1phk h ARG 131 Ca 0.36 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1phk h ARG 131 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1phk h ARG 131 CO -0.13 0.17 0.02 0.00 -1.51 0.00 0.00 179.97 178.53 1phk h ALA 132 N 1.24 0.31 -0.19 2.80 0.00 -1.21 -1.93 119.26 120.28 1phk h ALA 132 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1phk h ALA 132 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1phk h ALA 132 CO -0.18 0.00 0.04 1.25 0.00 0.00 0.00 179.25 180.37 1phk h LEU 133 N 0.18 0.03 -1.27 0.00 5.85 -0.56 -1.79 115.31 117.75 1phk h LEU 133 Ca 0.07 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1phk h LEU 133 Cb 0.35 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1phk h LEU 133 CO 0.01 0.04 0.44 -0.07 -0.34 0.00 0.00 178.44 178.52 1phk h LEU 134 N 0.13 0.81 -1.16 2.25 3.38 -0.75 0.02 115.31 120.00 1phk h LEU 134 Ca 0.09 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1phk h LEU 134 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1phk h LEU 134 CO -0.11 0.61 -0.17 -0.33 0.09 0.00 0.00 178.44 178.53 1phk h GLU 135 N 0.95 0.38 0.02 1.13 5.08 -0.83 0.21 114.58 121.51 1phk h GLU 135 Ca 0.25 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1phk h GLU 135 Cb -0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1phk h GLU 135 CO -0.05 0.55 -0.01 0.28 -1.00 0.00 0.00 179.01 178.78 1phk h VAL 136 N 0.35 1.40 -0.34 3.13 2.07 -0.33 -2.51 116.25 120.01 1phk h VAL 136 Ca 0.06 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1phk h VAL 136 Cb 0.51 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1phk h VAL 136 CO 0.03 0.34 0.09 0.40 0.02 0.00 0.00 177.57 178.46 1phk h ILE 137 N -0.62 1.16 -0.72 4.57 2.04 -0.87 0.52 117.51 123.60 1phk h ILE 137 Ca -0.00 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1phk h ILE 137 Cb 0.58 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1phk h ILE 137 CO 0.00 0.20 0.26 0.00 0.00 0.00 0.00 178.15 178.61 1phk h ALA 139 N 1.12 0.63 -0.41 0.00 0.00 -0.66 -0.35 119.26 119.60 1phk h ALA 139 Ca 0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1phk h ALA 139 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1phk h ALA 139 CO -0.01 0.68 0.03 -0.07 0.00 0.00 0.00 179.25 179.87 1phk h LEU 140 N 0.82 0.68 -1.05 0.00 3.38 -0.55 -2.96 115.31 115.64 1phk h LEU 140 Ca 0.09 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1phk h LEU 140 Cb 0.89 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1phk h LEU 140 CO 0.08 0.80 -0.40 0.45 0.09 0.00 0.00 178.44 179.46 1phk h HIS 141 N 0.54 0.17 0.00 1.13 3.86 -0.59 0.14 115.15 120.40 1phk h HIS 141 Ca 0.12 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1phk h HIS 141 Cb 0.44 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1phk h HIS 141 CO 0.03 0.53 -0.19 -0.22 0.86 0.00 0.00 177.93 178.94 1phk h LYS 142 N 0.13 0.00 -0.65 2.45 1.63 -0.92 -0.24 116.57 118.98 1phk h LYS 142 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1phk h LYS 142 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1phk h LYS 142 CO 0.06 0.19 0.00 1.28 -3.45 0.00 0.00 179.45 177.53 1phk n LEU 143 N -4.17 3.61 -3.17 5.20 4.77 -0.86 -4.94 117.00 117.44 1phk n LEU 143 Ca -0.02 -1.77 -0.23 0.00 -0.03 0.00 0.00 56.01 53.95 1phk n LEU 143 Cb 0.26 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1phk n LEU 143 CO 0.35 0.89 0.06 -3.20 -1.33 0.00 0.00 177.39 174.16 1phk n ASN 144 N 1.48 -6.24 -4.56 -1.43 5.15 -0.10 -4.76 115.26 104.81 1phk n ASN 144 Ca 0.22 -0.35 -0.34 0.00 -0.60 0.00 0.00 54.58 53.51 1phk n ASN 144 Cb 0.58 -5.00 -0.11 0.00 -0.53 0.00 0.00 39.78 34.71 1phk n ASN 144 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1phk s ILE 145 N -3.22 4.11 -0.15 -1.44 1.01 0.45 -0.32 121.20 121.64 1phk s ILE 145 Ca 0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1phk s ILE 145 Cb -0.17 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1phk s ILE 145 CO 0.47 0.51 -0.02 -0.69 0.00 0.00 0.00 174.94 175.21 1phk s VAL 146 N 0.10 4.04 -0.05 2.92 1.01 -0.40 -3.70 120.40 124.31 1phk s VAL 146 Ca 0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1phk s VAL 146 Cb -0.13 -2.76 -0.26 0.00 0.00 0.00 0.00 36.38 33.23 1phk s VAL 146 CO 0.02 0.51 0.98 -0.74 0.00 0.00 0.00 175.10 175.87 1phk h HIS 147 N 6.44 0.38 0.00 5.22 2.76 -1.89 -1.23 115.15 126.83 1phk h HIS 147 Ca -0.35 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.59 1phk h HIS 147 Cb 1.19 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.11 1phk h HIS 147 CO 0.55 1.08 0.00 0.54 -1.30 0.00 0.00 177.93 178.80 1phk n ARG 148 N -4.36 -0.70 -2.08 5.26 1.74 -1.26 -2.55 116.66 112.70 1phk n ARG 148 Ca -0.11 0.18 -0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1phk n ARG 148 Cb 0.62 -3.99 0.03 0.00 -1.02 0.00 0.00 32.46 28.10 1phk n ARG 148 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1phk n ASP 149 N -0.35 0.42 -4.66 0.55 2.03 -1.26 -4.66 116.55 108.63 1phk n ASP 149 Ca 0.00 -2.05 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 1phk n ASP 149 Cb 0.18 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1phk n ASP 149 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1phk s LEU 150 N -2.03 4.29 -0.03 -2.67 1.43 -1.26 -4.75 118.68 113.65 1phk s LEU 150 Ca 0.22 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 1phk s LEU 150 Cb 0.31 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 43.10 1phk s LEU 150 CO -0.09 -1.00 0.88 -1.59 0.23 0.00 0.00 176.35 174.78 1phk s LYS 151 N 4.22 0.82 0.40 1.70 -2.85 -1.26 -4.81 119.74 117.95 1phk s LYS 151 Ca 0.77 -0.18 0.17 0.00 -1.00 0.00 0.00 55.97 55.72 1phk s LYS 151 Cb -0.34 0.38 1.05 0.00 -2.06 0.00 0.00 37.83 36.86 1phk s LYS 151 CO 0.32 -0.33 1.81 -1.35 0.10 0.00 0.00 175.35 175.90 1phk h PRO 152 N 2.19 0.43 0.00 1.78 0.11 -1.92 0.70 132.00 135.30 1phk h PRO 152 Ca -0.22 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1phk h PRO 152 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1phk h PRO 152 CO 0.32 0.29 -0.10 0.93 -0.21 0.00 0.00 178.00 179.23 1phk h GLU 153 N 0.44 0.00 -0.60 1.05 3.07 -1.95 -2.42 114.58 114.17 1phk h GLU 153 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1phk h GLU 153 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1phk h GLU 153 CO -0.24 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.55 1phk n ASN 154 N -3.53 3.85 -4.13 1.42 3.02 0.23 -4.82 115.26 111.29 1phk n ASN 154 Ca -0.02 -2.12 -0.33 0.00 -0.03 0.00 0.00 54.58 52.08 1phk n ASN 154 Cb 0.23 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.81 1phk n ASN 154 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1phk s ILE 155 N -1.22 2.45 0.45 2.41 1.01 -0.93 -0.55 121.20 124.82 1phk s ILE 155 Ca 0.43 -1.25 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1phk s ILE 155 Cb 0.24 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1phk s ILE 155 CO 0.26 0.18 0.58 -0.76 0.00 0.00 0.00 174.94 175.20 1phk s LEU 156 N 1.23 3.47 -0.01 2.97 1.43 -0.34 -0.28 118.68 127.15 1phk s LEU 156 Ca -0.02 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1phk s LEU 156 Cb -0.17 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1phk s LEU 156 CO -0.06 -0.87 -0.16 -0.76 0.23 0.00 0.00 176.35 174.73 1phk s LEU 157 N -4.37 2.02 0.00 1.79 1.43 0.20 -0.61 118.68 119.13 1phk s LEU 157 Ca 0.54 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1phk s LEU 157 Cb -0.08 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1phk s LEU 157 CO 0.33 0.19 0.16 -0.90 0.23 0.00 0.00 176.35 176.36 1phk n ASP 158 N 2.73 0.27 -0.17 2.29 5.68 -0.66 -2.25 116.55 124.44 1phk n ASP 158 Ca -0.15 -1.21 -0.02 0.00 -0.50 0.00 0.00 54.79 52.91 1phk n ASP 158 Cb 0.54 -0.10 0.07 0.00 -1.14 0.00 0.00 41.12 40.50 1phk n ASP 158 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1phk h ASP 159 N -0.07 -0.05 -0.04 -1.12 3.32 -1.93 0.11 116.42 116.65 1phk h ASP 159 Ca -0.05 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1phk h ASP 159 Cb 0.21 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1phk h ASP 159 CO 0.06 -0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.05 1phk n ASP 160 N -5.14 0.64 -0.78 6.45 9.92 -1.26 -4.85 116.55 121.53 1phk n ASP 160 Ca 0.06 -2.02 -0.10 0.00 -0.53 0.00 0.00 54.79 52.20 1phk n ASP 160 Cb 0.27 -0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 40.48 1phk n ASP 160 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1phk n MET 161 N -0.21 -1.32 -2.59 -1.24 2.81 0.40 -4.96 117.12 110.00 1phk n MET 161 Ca 0.01 0.82 -0.40 0.00 -1.81 0.00 0.00 57.70 56.32 1phk n MET 161 Cb 0.14 -5.02 -0.05 0.00 -0.71 0.00 0.00 33.22 27.59 1phk n MET 161 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1phk s ASN 162 N -2.50 7.37 0.43 7.83 0.01 -1.26 -4.71 114.94 122.11 1phk s ASN 162 Ca 0.00 2.12 -0.24 0.00 -0.71 0.00 0.00 52.86 54.03 1phk s ASN 162 Cb 0.00 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 1phk s ASN 162 CO 0.00 -0.06 1.21 -0.63 -1.51 0.00 0.00 177.10 176.12 1phk s ILE 163 N -1.23 2.93 -0.23 0.60 -1.09 -1.26 -1.66 121.20 119.27 1phk s ILE 163 Ca 0.44 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.58 1phk s ILE 163 Cb -0.29 -3.42 0.08 0.00 -1.58 0.00 0.00 42.46 37.26 1phk s ILE 163 CO 0.36 0.05 0.10 -0.54 -1.23 0.00 0.00 174.94 173.68 1phk s LYS 164 N -2.46 0.24 0.10 2.79 -0.14 0.22 -4.49 119.74 116.00 1phk s LYS 164 Ca 0.60 -0.36 -0.31 0.00 -1.36 0.00 0.00 55.97 54.54 1phk s LYS 164 Cb -0.32 -1.65 -0.08 0.00 -1.68 0.00 0.00 37.83 34.09 1phk s LYS 164 CO 0.40 -0.81 1.43 -1.17 -0.76 0.00 0.00 175.35 174.45 1phk s LEU 165 N 2.05 4.36 0.00 3.17 2.96 0.17 -1.20 118.68 130.19 1phk s LEU 165 Ca 0.05 2.35 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1phk s LEU 165 Cb -0.16 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1phk s LEU 165 CO -0.20 -0.70 0.03 0.35 -1.32 0.00 0.00 176.35 174.52 1phk n THR 166 N 4.11 0.00 -3.00 3.68 -2.24 0.28 -0.71 114.28 116.41 1phk n THR 166 Ca 0.12 -0.86 -0.14 0.00 -2.27 0.00 0.00 64.05 60.91 1phk n THR 166 Cb 0.42 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1phk n THR 166 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1phk n ASP 167 N -1.60 -7.46 -2.16 3.42 2.03 -1.26 -4.83 116.55 104.68 1phk n ASP 167 Ca -0.04 0.35 -0.22 0.00 0.52 0.00 0.00 54.79 55.41 1phk n ASP 167 Cb 0.22 -4.66 0.18 0.00 -0.72 0.00 0.00 41.12 36.14 1phk n ASP 167 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1phk n PHE 168 N -0.40 2.90 0.30 -0.67 3.01 -1.26 -4.57 117.46 116.77 1phk n PHE 168 Ca 0.07 -1.74 0.18 0.00 1.01 0.00 0.00 57.45 56.97 1phk n PHE 168 Cb 0.51 -0.90 0.80 0.00 -0.01 0.00 0.00 39.48 39.88 1phk n PHE 168 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1phk h GLY 169 N 1.26 0.00 -0.42 1.37 0.00 -1.91 -2.63 103.07 100.74 1phk h GLY 169 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1phk h GLY 169 CO 1.03 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.26 1phk n PHE 170 N -3.02 0.06 -1.78 5.60 3.72 -1.26 -4.89 117.46 115.89 1phk n PHE 170 Ca -0.00 -0.15 -0.33 0.00 -0.05 0.00 0.00 57.45 56.91 1phk n PHE 170 Cb 0.24 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1phk n PHE 170 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1phk s SER 171 N -0.57 5.07 -0.16 4.37 0.15 -0.99 -4.58 113.70 116.99 1phk s SER 171 Ca 0.07 2.07 -0.11 0.00 0.70 0.00 0.00 55.95 58.68 1phk s SER 171 Cb 0.04 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1phk s SER 171 CO 0.06 -1.66 0.40 0.00 1.20 0.00 0.00 173.24 173.24 1phk s GLN 173 N 0.85 4.15 0.01 0.00 0.74 -1.26 -1.28 119.66 122.86 1phk s GLN 173 Ca -0.05 0.23 -0.10 0.00 0.05 0.00 0.00 55.36 55.49 1phk s GLN 173 Cb -0.06 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1phk s GLN 173 CO -0.06 -0.11 0.33 -0.51 -0.55 0.00 0.00 175.29 174.39 1phk s LEU 174 N 1.53 4.40 0.57 3.68 1.43 0.57 -4.99 118.68 125.87 1phk s LEU 174 Ca 0.20 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 53.89 1phk s LEU 174 Cb -0.15 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1phk s LEU 174 CO 0.09 0.27 1.02 -1.81 0.23 0.00 0.00 176.35 176.15 1phk s ASP 175 N -1.42 6.15 0.02 2.29 1.01 -1.26 -4.88 116.67 118.58 1phk s ASP 175 Ca 0.26 1.65 -0.36 0.00 0.71 0.00 0.00 52.55 54.81 1phk s ASP 175 Cb -0.14 -2.51 -0.15 0.00 1.01 0.00 0.00 42.92 41.12 1phk s ASP 175 CO 0.14 -0.92 1.53 -2.65 0.21 0.00 0.00 175.17 173.49 1phk n PRO 176 N -2.03 1.53 -0.34 8.23 -0.02 -1.26 -0.47 135.00 140.64 1phk n PRO 176 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1phk n PRO 176 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1phk n PRO 176 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1phk n GLY 177 N 3.25 2.27 3.76 -1.23 0.00 -1.26 -5.00 105.19 106.98 1phk n GLY 177 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1phk n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1phk s GLU 178 N -0.01 4.33 0.28 1.61 2.12 0.38 -5.03 118.70 122.39 1phk s GLU 178 Ca 0.00 2.22 0.11 0.00 0.36 0.00 0.00 54.97 57.66 1phk s GLU 178 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1phk s GLU 178 CO 0.00 -0.27 -0.18 0.15 -0.54 0.00 0.00 175.26 174.42 1phk s LYS 179 N -1.05 1.68 0.29 4.30 -0.14 -1.26 -4.83 119.74 118.73 1phk s LYS 179 Ca 0.54 -1.78 0.11 0.00 -1.36 0.00 0.00 55.97 53.47 1phk s LYS 179 Cb -0.40 -1.70 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 1phk s LYS 179 CO 0.47 0.29 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.73 1phk s LEU 180 N -3.51 2.82 0.00 3.17 1.43 0.19 -4.83 118.68 117.94 1phk s LEU 180 Ca 0.30 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1phk s LEU 180 Cb -0.03 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1phk s LEU 180 CO 0.15 -0.03 0.00 0.54 0.23 0.00 0.00 176.35 177.24 1phk n ARG 181 N -0.75 2.16 -2.26 1.70 1.74 -1.26 0.58 116.66 118.57 1phk n ARG 181 Ca -0.05 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.65 1phk n ARG 181 Cb 0.60 -0.20 -0.02 0.00 -1.02 0.00 0.00 32.46 31.83 1phk n ARG 181 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1phk s GLU 182 N -0.09 4.00 -0.26 5.56 8.01 -1.26 -4.73 118.70 129.92 1phk s GLU 182 Ca 0.00 1.86 -0.09 0.00 0.01 0.00 0.00 54.97 56.76 1phk s GLU 182 Cb 0.00 -2.64 -0.03 0.00 -4.31 0.00 0.00 34.13 27.14 1phk s GLU 182 CO 0.00 -0.38 0.11 0.08 0.01 0.00 0.00 175.26 175.09 1phk s VAL 183 N -1.42 4.66 -0.09 2.63 1.01 -1.26 -5.06 120.40 120.88 1phk s VAL 183 Ca 0.58 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 1phk s VAL 183 Cb -0.31 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 32.92 1phk s VAL 183 CO 0.39 0.30 0.56 0.00 0.00 0.00 0.00 175.10 176.35 1phk n GLY 185 N 1.53 2.42 3.66 0.00 0.00 -1.26 -4.95 105.19 106.59 1phk n GLY 185 Ca -0.18 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 1phk n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1phk s THR 186 N -2.11 4.04 0.34 2.61 2.01 -1.26 -4.92 115.64 116.34 1phk s THR 186 Ca 0.00 1.28 0.12 0.00 0.31 0.00 0.00 61.69 63.39 1phk s THR 186 Cb 0.00 -3.82 0.36 0.00 0.01 0.00 0.00 72.50 69.04 1phk s THR 186 CO 0.00 -0.10 1.60 -0.65 -0.69 0.00 0.00 174.62 174.78 1phk h PRO 187 N 8.55 0.10 0.00 4.92 0.11 -1.96 0.77 132.00 144.48 1phk h PRO 187 Ca -0.31 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1phk h PRO 187 Cb 1.13 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1phk h PRO 187 CO 0.96 0.06 -0.09 0.66 -0.21 0.00 0.00 178.00 179.39 1phk h SER 188 N 0.10 0.00 0.04 -2.05 4.64 -1.91 -1.98 113.55 112.39 1phk h SER 188 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1phk h SER 188 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1phk h SER 188 CO -0.76 0.09 -0.40 -1.22 -0.87 0.00 0.00 176.83 173.66 1phk n TYR 189 N -4.09 0.00 -1.92 4.77 4.02 0.23 -4.82 117.16 115.35 1phk n TYR 189 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 1phk n TYR 189 Cb 0.17 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1phk n TYR 189 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1phk s LEU 190 N -2.46 4.37 0.67 7.72 1.43 -0.75 -4.16 118.68 125.50 1phk s LEU 190 Ca 0.20 2.63 -0.15 0.00 -1.03 0.00 0.00 54.13 55.78 1phk s LEU 190 Cb 0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1phk s LEU 190 CO 0.55 -0.83 1.13 0.00 0.23 0.00 0.00 176.35 177.43 1phk s ALA 191 N 1.14 2.42 0.23 4.21 0.00 -1.26 -4.92 121.76 123.57 1phk s ALA 191 Ca 0.70 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 1phk s ALA 191 Cb -0.44 -3.35 0.34 0.00 0.00 0.00 0.00 23.12 19.67 1phk s ALA 191 CO 0.31 -1.36 1.82 -1.35 0.00 0.00 0.00 175.76 175.18 1phk h PRO 192 N 0.04 0.78 -0.90 0.00 0.11 -1.85 -2.14 132.00 128.03 1phk h PRO 192 Ca -0.47 -0.05 0.19 0.00 0.11 0.00 0.00 66.00 65.79 1phk h PRO 192 Cb 1.26 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 1phk h PRO 192 CO 0.53 0.51 0.59 0.93 -0.21 0.00 0.00 178.00 180.36 1phk h GLU 193 N 0.80 0.44 -0.11 1.05 3.07 -1.92 0.21 114.58 118.12 1phk h GLU 193 Ca 0.37 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1phk h GLU 193 Cb 0.28 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1phk h GLU 193 CO -0.22 0.29 -0.06 0.82 -1.40 0.00 0.00 179.01 178.45 1phk h ILE 194 N 0.45 1.33 -0.47 3.13 2.04 -1.76 -1.00 117.51 121.23 1phk h ILE 194 Ca 0.47 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1phk h ILE 194 Cb 1.10 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1phk h ILE 194 CO -0.19 0.31 0.15 0.40 0.00 0.00 0.00 178.15 178.83 1phk h ILE 195 N -0.14 1.22 0.15 -0.67 2.04 -1.09 -2.55 117.51 116.48 1phk h ILE 195 Ca 0.02 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1phk h ILE 195 Cb 0.52 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1phk h ILE 195 CO 0.02 0.27 -0.34 -0.33 0.00 0.00 0.00 178.15 177.76 1phk h GLU 196 N 0.62 -0.57 -0.73 2.37 4.39 -0.63 -2.32 114.58 117.71 1phk h GLU 196 Ca 0.15 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.05 1phk h GLU 196 Cb 0.26 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 28.91 1phk h GLU 196 CO -0.01 -0.38 -0.01 0.00 -1.16 0.00 0.00 179.01 177.45 1phk h SER 198 N 0.09 0.27 -0.16 0.00 4.64 -1.02 -2.76 113.55 114.62 1phk h SER 198 Ca 0.39 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.52 1phk h SER 198 Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1phk h SER 198 CO -0.65 0.35 -0.49 0.24 -0.87 0.00 0.00 176.83 175.41 1phk h MET 199 N 0.29 0.61 -4.68 4.77 2.07 -0.28 -3.44 114.93 114.27 1phk h MET 199 Ca 0.07 -0.45 -0.58 0.00 -2.07 0.00 0.00 59.70 56.67 1phk h MET 199 Cb 0.25 0.08 -0.35 0.00 -1.87 0.00 0.00 31.60 29.71 1phk h MET 199 CO 0.01 1.07 -0.83 1.21 1.07 0.00 0.00 176.91 179.44 1phk s ASN 200 N -6.71 2.40 0.37 1.22 2.47 -0.53 -5.01 114.94 109.15 1phk s ASN 200 Ca -0.12 -0.42 0.11 0.00 0.42 0.00 0.00 52.86 52.85 1phk s ASN 200 Cb 0.07 -1.06 0.74 0.00 -1.45 0.00 0.00 41.25 39.54 1phk s ASN 200 CO 0.84 -0.00 1.86 -0.78 -3.72 0.00 0.00 177.10 175.30 1phk h ASP 201 N 7.52 0.12 0.00 -4.21 1.82 -1.87 -2.14 116.42 117.66 1phk h ASP 201 Ca -0.32 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1phk h ASP 201 Cb 1.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1phk h ASP 201 CO 0.49 0.39 0.00 0.59 -1.61 0.00 0.00 179.24 179.10 1phk n ASN 202 N -4.18 0.36 -4.76 2.28 3.02 -1.26 -4.79 115.26 105.93 1phk n ASN 202 Ca -0.02 -1.69 -0.40 0.00 -0.03 0.00 0.00 54.58 52.45 1phk n ASN 202 Cb 0.35 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1phk n ASN 202 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1phk s HIS 203 N -1.57 3.81 -2.00 3.10 2.46 -0.81 -4.95 115.29 115.33 1phk s HIS 203 Ca 0.00 1.51 0.01 0.00 0.47 0.00 0.00 55.06 57.05 1phk s HIS 203 Cb 0.00 -2.77 0.03 0.00 -0.13 0.00 0.00 32.58 29.72 1phk s HIS 203 CO 0.00 0.40 0.22 -0.35 -2.47 0.00 0.00 174.74 172.54 1phk n PRO 204 N 2.22 0.06 -0.43 2.88 -0.04 -1.26 -4.95 135.00 133.48 1phk n PRO 204 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1phk n PRO 204 Cb 0.50 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 1phk n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1phk n GLY 205 N -0.57 -2.12 3.49 0.55 0.00 -1.26 -4.83 105.19 100.45 1phk n GLY 205 Ca 0.00 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 1phk n GLY 205 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1phk s TYR 206 N -1.28 2.05 0.00 1.61 -0.85 0.20 -4.81 117.35 114.26 1phk s TYR 206 Ca 0.00 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.63 1phk s TYR 206 Cb 0.00 -1.37 0.00 0.00 0.38 0.00 0.00 41.96 40.97 1phk s TYR 206 CO 0.00 0.07 0.00 0.41 -1.52 0.00 0.00 175.55 174.51 1phk n GLY 207 N -0.75 5.28 0.44 5.49 0.00 -1.26 0.53 105.19 114.91 1phk n GLY 207 Ca -0.03 -1.27 0.28 0.00 0.00 0.00 0.00 46.02 45.00 1phk n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1phk h LYS 208 N 0.00 0.25 -0.35 1.61 1.57 -1.95 -2.60 116.57 115.10 1phk h LYS 208 Ca 0.00 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1phk h LYS 208 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1phk h LYS 208 CO 0.00 0.17 0.53 0.93 -0.57 0.00 0.00 179.45 180.50 1phk h GLU 209 N 0.26 0.00 -0.07 3.15 3.07 -1.96 -0.64 114.58 118.40 1phk h GLU 209 Ca 0.66 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.50 1phk h GLU 209 Cb 1.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.82 1phk h GLU 209 CO -0.31 0.00 -0.09 -0.39 -1.40 0.00 0.00 179.01 176.83 1phk h VAL 210 N 0.00 1.11 -0.60 3.13 -1.51 -1.89 -2.07 116.25 114.42 1phk h VAL 210 Ca 0.17 -0.47 -0.06 0.00 -1.23 0.00 0.00 66.70 65.11 1phk h VAL 210 Cb 1.22 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.51 1phk h VAL 210 CO -0.00 0.14 0.15 0.44 -1.23 0.00 0.00 177.57 177.08 1phk h ASP 211 N 0.10 0.88 0.52 4.19 3.32 -1.36 -2.28 116.42 121.79 1phk h ASP 211 Ca 0.02 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 1phk h ASP 211 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1phk h ASP 211 CO 0.01 0.85 -0.32 0.24 -1.72 0.00 0.00 179.24 178.30 1phk h MET 212 N 0.90 0.00 -0.03 3.56 2.86 -1.51 0.31 114.93 121.02 1phk h MET 212 Ca 0.20 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1phk h MET 212 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1phk h MET 212 CO -0.00 0.32 -0.20 2.35 1.06 0.00 0.00 176.91 180.44 1phk h TRP 213 N 0.00 0.26 -0.59 -0.22 2.91 -1.33 -2.41 115.95 114.58 1phk h TRP 213 Ca -0.00 -0.12 0.09 0.00 1.13 0.00 0.00 58.89 59.98 1phk h TRP 213 Cb 0.67 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.21 1phk h TRP 213 CO 0.00 0.86 0.22 0.77 -1.03 0.00 0.00 178.44 179.26 1phk h SER 214 N -0.41 0.23 -0.03 2.65 0.02 -1.13 0.50 113.55 115.38 1phk h SER 214 Ca -0.02 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1phk h SER 214 Cb 0.89 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1phk h SER 214 CO 0.04 0.15 0.02 0.74 -1.14 0.00 0.00 176.83 176.64 1phk h THR 215 N 0.41 0.91 -0.06 -2.27 2.02 -0.92 0.21 112.91 113.21 1phk h THR 215 Ca 0.29 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 1phk h THR 215 Cb 0.34 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1phk h THR 215 CO -0.28 0.00 -0.10 1.23 0.37 0.00 0.00 175.52 176.74 1phk h GLY 216 N 0.00 0.19 0.73 2.16 0.00 0.44 -1.49 103.07 105.09 1phk h GLY 216 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1phk h GLY 216 CO -0.00 0.19 0.40 -2.08 0.00 0.00 0.00 176.54 175.05 1phk h VAL 217 N -0.31 1.00 0.98 4.60 2.07 0.11 -1.63 116.25 123.07 1phk h VAL 217 Ca 0.00 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1phk h VAL 217 Cb 0.66 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1phk h VAL 217 CO 0.02 0.13 -0.48 0.40 0.02 0.00 0.00 177.57 177.67 1phk h ILE 218 N 0.74 0.02 -0.92 4.57 2.04 -0.97 -1.08 117.51 121.91 1phk h ILE 218 Ca 0.30 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.31 1phk h ILE 218 Cb 0.14 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.17 1phk h ILE 218 CO -0.16 0.00 0.59 -0.03 0.00 0.00 0.00 178.15 178.55 1phk h MET 219 N -1.33 0.68 0.04 2.37 4.05 -1.04 -0.42 114.93 119.28 1phk h MET 219 Ca -0.13 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1phk h MET 219 Cb 1.02 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1phk h MET 219 CO 0.21 0.45 -0.02 -0.92 0.23 0.00 0.00 176.91 176.86 1phk h TYR 220 N 0.70 -0.05 -0.39 1.39 5.03 -1.12 -2.82 116.97 119.72 1phk h TYR 220 Ca 0.48 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.77 1phk h TYR 220 Cb 0.78 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 1phk h TYR 220 CO -0.00 0.25 0.19 1.15 -1.32 0.00 0.00 178.16 178.43 1phk h THR 221 N -0.36 1.13 -0.39 1.81 2.02 -0.22 0.14 112.91 117.05 1phk h THR 221 Ca -0.01 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1phk h THR 221 Cb 0.33 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1phk h THR 221 CO 0.01 0.15 0.24 -0.07 0.37 0.00 0.00 175.52 176.23 1phk h LEU 222 N 0.54 0.45 -0.00 2.58 3.38 -0.95 0.45 115.31 121.77 1phk h LEU 222 Ca 0.14 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1phk h LEU 222 Cb 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1phk h LEU 222 CO -0.02 0.35 -0.28 -0.07 0.09 0.00 0.00 178.44 178.51 1phk h LEU 223 N 0.51 0.25 0.00 1.67 3.38 -1.20 0.19 115.31 120.11 1phk h LEU 223 Ca 0.14 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1phk h LEU 223 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1phk h LEU 223 CO -0.03 0.99 -0.44 0.00 0.09 0.00 0.00 178.44 179.05 1phk h ALA 224 N 0.26 0.76 -0.33 1.53 0.00 -0.76 -3.40 119.26 117.33 1phk h ALA 224 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1phk h ALA 224 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1phk h ALA 224 CO 0.05 0.00 -0.13 0.41 0.00 0.00 0.00 179.25 179.59 1phk n GLY 225 N 1.20 0.89 3.42 0.00 0.00 0.16 -4.93 105.19 105.93 1phk n GLY 225 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1phk n GLY 225 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1phk s SER 226 N -2.71 -0.53 0.35 1.61 1.04 -1.22 -4.95 113.70 107.29 1phk s SER 226 Ca 0.00 0.06 -0.27 0.00 0.48 0.00 0.00 55.95 56.22 1phk s SER 226 Cb 0.00 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 1phk s SER 226 CO 0.00 -0.89 1.15 -2.84 0.98 0.00 0.00 173.24 171.64 1phk s PRO 227 N -3.35 4.28 0.29 4.02 0.02 -1.26 -3.65 135.00 135.36 1phk s PRO 227 Ca -0.01 1.83 -0.02 0.00 0.02 0.00 0.00 61.00 62.83 1phk s PRO 227 Cb -0.01 -2.86 0.41 0.00 0.02 0.00 0.00 34.50 32.07 1phk s PRO 227 CO -0.09 -0.12 1.87 -1.35 -0.33 0.00 0.00 177.00 176.98 1phk h PRO 228 N 3.06 0.92 -4.85 5.54 0.11 -1.93 -3.41 132.00 131.44 1phk h PRO 228 Ca -0.48 -0.14 -0.58 0.00 0.11 0.00 0.00 66.00 64.91 1phk h PRO 228 Cb 1.22 -0.16 -0.33 0.00 0.11 0.00 0.00 31.00 31.84 1phk h PRO 228 CO 0.64 0.74 -0.84 -0.06 -0.21 0.00 0.00 178.00 178.27 1phk s PHE 229 N -5.45 1.91 0.02 0.65 0.40 -1.26 -4.65 117.98 109.60 1phk s PHE 229 Ca -0.10 -0.76 -0.28 0.00 -0.60 0.00 0.00 56.93 55.19 1phk s PHE 229 Cb 0.16 -1.34 0.10 0.00 0.51 0.00 0.00 43.02 42.45 1phk s PHE 229 CO 0.80 -0.35 0.83 -0.46 0.70 0.00 0.00 175.22 176.73 1phk s TRP 230 N 0.58 -0.40 -0.13 0.36 -0.11 -1.26 -4.90 118.94 113.07 1phk s TRP 230 Ca -0.15 0.30 -0.33 0.00 1.22 0.00 0.00 56.10 57.14 1phk s TRP 230 Cb -0.17 0.53 0.13 0.00 -1.50 0.00 0.00 33.47 32.46 1phk s TRP 230 CO 0.05 -0.60 1.14 -1.58 -4.62 0.00 0.00 176.95 171.34 1phk s HIS 231 N -3.04 -0.17 0.11 5.86 5.65 -1.26 -4.81 115.29 117.62 1phk s HIS 231 Ca 0.03 0.09 -0.19 0.00 0.25 0.00 0.00 55.06 55.25 1phk s HIS 231 Cb -0.01 0.52 -0.06 0.00 -1.18 0.00 0.00 32.58 31.85 1phk s HIS 231 CO -0.08 -0.30 1.65 0.07 -0.65 0.00 0.00 174.74 175.43 1phk h ARG 232 N 2.00 0.39 -5.39 2.88 -0.00 -2.03 -3.41 114.38 108.82 1phk h ARG 232 Ca -0.14 -0.07 -0.60 0.00 -0.00 0.00 0.00 59.98 59.17 1phk h ARG 232 Cb 1.19 -0.06 -0.11 0.00 -0.00 0.00 0.00 29.97 30.98 1phk h ARG 232 CO 0.25 0.42 -0.29 -1.59 -0.00 0.00 0.00 179.97 178.76 1phk s LYS 233 N -5.56 4.19 0.34 0.08 0.00 -1.26 -4.97 119.74 112.56 1phk s LYS 233 Ca -0.13 0.10 0.05 0.00 0.00 0.00 0.00 55.97 55.98 1phk s LYS 233 Cb 0.08 -3.50 0.70 0.00 0.00 0.00 0.00 37.83 35.11 1phk s LYS 233 CO 0.72 0.06 1.92 1.96 0.00 0.00 0.00 175.35 180.01 1phk h GLN 234 N 7.18 0.79 -0.14 1.78 4.20 -2.00 -2.52 115.11 124.40 1phk h GLN 234 Ca -0.38 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.31 1phk h GLN 234 Cb 1.16 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 1phk h GLN 234 CO 0.72 0.53 -0.50 0.00 -0.67 0.00 0.00 178.83 178.90 1phk h MET 235 N 0.82 -0.51 -0.37 1.46 -0.00 -1.96 -0.33 114.93 114.04 1phk h MET 235 Ca 0.37 0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 60.01 1phk h MET 235 Cb 0.37 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 32.07 1phk h MET 235 CO -0.14 -0.34 -0.16 1.25 -0.00 0.00 0.00 176.91 177.52 1phk h LEU 236 N -0.53 0.67 -0.50 -0.10 5.85 -1.94 -2.11 115.31 116.66 1phk h LEU 236 Ca 0.03 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1phk h LEU 236 Cb 0.62 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1phk h LEU 236 CO -0.41 0.84 0.14 -0.03 -0.34 0.00 0.00 178.44 178.64 1phk h MET 237 N 0.61 0.28 -0.59 1.25 4.05 -0.95 0.16 114.93 119.73 1phk h MET 237 Ca 0.10 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1phk h MET 237 Cb 0.61 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1phk h MET 237 CO 0.04 0.18 0.12 -0.07 0.23 0.00 0.00 176.91 177.41 1phk h LEU 238 N 0.29 0.89 -1.11 3.39 3.38 -0.82 -1.23 115.31 120.10 1phk h LEU 238 Ca 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1phk h LEU 238 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1phk h LEU 238 CO -0.29 0.88 0.28 0.03 0.09 0.00 0.00 178.44 179.43 1phk h ARG 239 N 0.89 0.90 -0.19 1.13 3.08 -0.37 -0.17 114.38 119.65 1phk h ARG 239 Ca 0.19 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1phk h ARG 239 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1phk h ARG 239 CO 0.00 0.72 0.04 0.52 -1.07 0.00 0.00 179.97 180.18 1phk h MET 240 N 0.90 0.31 0.09 0.04 2.86 -0.14 -1.46 114.93 117.53 1phk h MET 240 Ca 0.22 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1phk h MET 240 Cb 0.13 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1phk h MET 240 CO -0.02 0.46 -0.13 0.82 1.06 0.00 0.00 176.91 179.10 1phk h ILE 241 N 0.11 0.70 -0.52 -1.22 2.04 -0.76 0.45 117.51 118.31 1phk h ILE 241 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1phk h ILE 241 Cb 0.30 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1phk h ILE 241 CO 0.00 0.00 0.16 0.24 0.00 0.00 0.00 178.15 178.55 1phk h MET 242 N -0.26 0.31 0.00 2.37 2.86 -0.95 0.26 114.93 119.53 1phk h MET 242 Ca 0.02 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1phk h MET 242 Cb 0.27 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1phk h MET 242 CO -0.06 0.21 -0.29 0.66 1.06 0.00 0.00 176.91 178.48 1phk h SER 243 N 0.32 0.00 -0.19 1.22 4.64 -1.01 -3.47 113.55 115.06 1phk h SER 243 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1phk h SER 243 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1phk h SER 243 CO -0.29 0.29 -0.04 0.61 -0.87 0.00 0.00 176.83 176.53 1phk n GLY 244 N 0.42 0.36 3.52 -0.77 0.00 0.15 -4.96 105.19 103.90 1phk n GLY 244 Ca 0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1phk n GLY 244 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1phk s ASN 245 N -2.94 6.71 0.12 1.61 0.01 -0.40 -4.91 114.94 115.14 1phk s ASN 245 Ca 0.00 -2.09 0.04 0.00 -0.71 0.00 0.00 52.86 50.10 1phk s ASN 245 Cb 0.00 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1phk s ASN 245 CO 0.00 -1.20 -0.10 -0.72 -1.51 0.00 0.00 177.10 173.58 1phk s TYR 246 N 3.70 1.16 0.06 2.20 1.13 -1.26 -4.84 117.35 119.50 1phk s TYR 246 Ca 0.44 -0.74 -0.07 0.00 -1.41 0.00 0.00 57.07 55.29 1phk s TYR 246 Cb -0.01 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1phk s TYR 246 CO -0.04 0.03 0.13 1.14 -2.51 0.00 0.00 175.55 174.30 1phk s GLN 247 N -3.45 0.73 -1.20 -3.49 -2.07 -1.26 -5.06 119.66 103.85 1phk s GLN 247 Ca 0.12 -0.93 -0.17 0.00 -1.82 0.00 0.00 55.36 52.56 1phk s GLN 247 Cb 0.01 0.29 0.11 0.00 -1.09 0.00 0.00 33.01 32.32 1phk s GLN 247 CO -0.00 -0.20 1.55 -0.06 -1.32 0.00 0.00 175.29 175.25 1phk s PHE 248 N -3.48 3.01 -0.10 9.60 0.08 -1.26 -4.95 117.98 120.88 1phk s PHE 248 Ca 0.02 -1.67 -0.19 0.00 0.12 0.00 0.00 56.93 55.21 1phk s PHE 248 Cb 0.04 -4.56 -0.09 0.00 -0.57 0.00 0.00 43.02 37.83 1phk s PHE 248 CO -0.09 -1.66 0.58 0.41 -0.10 0.00 0.00 175.22 174.36 1phk n GLY 249 N 5.18 -0.03 0.32 4.36 0.00 -1.26 -4.68 105.19 109.08 1phk n GLY 249 Ca 0.41 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.90 1phk n GLY 249 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1phk h SER 250 N 1.73 0.54 1.68 1.61 0.02 -1.98 -2.44 113.55 114.70 1phk h SER 250 Ca -0.21 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1phk h SER 250 Cb 0.61 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1phk h SER 250 CO 0.35 0.20 0.00 1.55 -1.14 0.00 0.00 176.83 177.79 1phk h PRO 251 N 0.61 0.00 0.00 3.45 0.13 -2.03 -3.40 132.00 130.76 1phk h PRO 251 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.62 1phk h PRO 251 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1phk h PRO 251 CO -0.39 0.00 -0.49 0.39 -0.23 0.00 0.00 178.00 177.28 1phk n GLU 252 N -2.94 0.26 0.00 0.86 4.71 -0.96 -4.68 120.64 117.89 1phk n GLU 252 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1phk n GLU 252 Cb 0.46 -0.95 0.00 0.00 -1.01 0.00 0.00 31.44 29.94 1phk n GLU 252 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1phk n TRP 253 N -3.49 0.00 -0.17 -0.32 7.02 -0.97 -3.80 117.44 115.71 1phk n TRP 253 Ca -0.07 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.33 1phk n TRP 253 Cb 0.26 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.16 1phk n TRP 253 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1phk h ASP 254 N 0.00 0.65 1.02 -0.99 3.32 -1.81 -3.10 116.42 115.51 1phk h ASP 254 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1phk h ASP 254 Cb 0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1phk h ASP 254 CO 0.00 0.58 0.00 0.47 -1.72 0.00 0.00 179.24 178.57 1phk n ASP 255 N -4.62 0.36 -4.86 6.45 8.00 -1.25 -4.85 116.55 115.78 1phk n ASP 255 Ca 0.02 0.55 -0.33 0.00 0.71 0.00 0.00 54.79 55.74 1phk n ASP 255 Cb 0.11 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1phk n ASP 255 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1phk s TYR 256 N -3.08 3.44 0.77 1.24 2.02 -1.17 -5.06 117.35 115.50 1phk s TYR 256 Ca 0.10 1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 1phk s TYR 256 Cb 0.14 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.40 1phk s TYR 256 CO 0.48 0.24 1.11 -1.54 -1.57 0.00 0.00 175.55 174.28 1phk s SER 257 N -2.24 4.36 0.32 2.29 1.04 -1.26 -4.92 113.70 113.29 1phk s SER 257 Ca 0.48 1.94 0.15 0.00 0.48 0.00 0.00 55.95 59.01 1phk s SER 257 Cb -0.12 -2.54 0.49 0.00 0.10 0.00 0.00 66.02 63.95 1phk s SER 257 CO 0.20 -2.13 1.65 0.44 0.98 0.00 0.00 173.24 174.37 1phk h ASP 258 N -0.97 0.00 -0.60 7.02 3.32 -1.97 -3.11 116.42 120.11 1phk h ASP 258 Ca -0.44 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.70 1phk h ASP 258 Cb 1.24 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 1phk h ASP 258 CO 0.50 0.49 0.21 0.74 -1.72 0.00 0.00 179.24 179.46 1phk h THR 259 N 0.00 0.74 -0.37 0.35 2.02 -1.99 0.21 112.91 113.87 1phk h THR 259 Ca -0.00 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1phk h THR 259 Cb 1.04 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1phk h THR 259 CO 0.06 0.07 -0.22 0.58 0.37 0.00 0.00 175.52 176.38 1phk h VAL 260 N 0.38 1.27 0.00 3.16 2.07 -1.93 -1.92 116.25 119.28 1phk h VAL 260 Ca 0.31 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1phk h VAL 260 Cb 0.40 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1phk h VAL 260 CO -0.32 0.43 -0.34 0.11 0.02 0.00 0.00 177.57 177.47 1phk h LYS 261 N 0.63 0.00 -0.19 1.57 1.57 -1.01 0.02 116.57 119.17 1phk h LYS 261 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 1phk h LYS 261 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1phk h LYS 261 CO 0.05 0.34 -0.39 0.22 -0.57 0.00 0.00 179.45 179.10 1phk h ASP 262 N 0.00 0.67 0.42 0.86 1.82 -0.24 -2.19 116.42 117.76 1phk h ASP 262 Ca -0.00 -0.56 -0.02 0.00 -0.39 0.00 0.00 57.03 56.06 1phk h ASP 262 Cb 0.66 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1phk h ASP 262 CO 0.04 1.10 -0.20 0.25 -1.61 0.00 0.00 179.24 178.82 1phk h LEU 263 N 0.26 -0.48 -0.68 2.28 5.85 -0.91 -2.00 115.31 119.63 1phk h LEU 263 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1phk h LEU 263 Cb 1.00 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1phk h LEU 263 CO 0.09 -0.33 0.25 0.58 -0.34 0.00 0.00 178.44 178.68 1phk h VAL 264 N -0.57 0.70 0.00 1.05 2.07 -1.03 -0.84 116.25 117.62 1phk h VAL 264 Ca -0.06 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1phk h VAL 264 Cb 0.44 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1phk h VAL 264 CO 0.09 0.07 -0.19 0.77 0.02 0.00 0.00 177.57 178.34 1phk h SER 265 N 0.40 0.00 1.03 0.57 4.64 -1.21 -1.86 113.55 117.12 1phk h SER 265 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1phk h SER 265 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1phk h SER 265 CO -0.37 0.19 0.00 0.03 -0.87 0.00 0.00 176.83 175.82 1phk h ARG 266 N 0.00 0.00 0.06 4.77 2.47 -0.39 -3.14 114.38 118.16 1phk h ARG 266 Ca -0.00 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.38 1phk h ARG 266 Cb 0.36 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1phk h ARG 266 CO 0.03 0.00 -1.85 1.19 0.56 0.00 0.00 179.97 179.89 1phk n PHE 267 N -2.41 0.96 -1.75 3.04 3.72 -0.75 -1.32 117.46 118.95 1phk n PHE 267 Ca 0.03 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.29 1phk n PHE 267 Cb 0.31 -1.12 -0.00 0.00 -0.94 0.00 0.00 39.48 37.73 1phk n PHE 267 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1phk n LEU 268 N -3.83 7.12 -4.12 4.37 4.77 -0.93 -4.38 117.00 120.01 1phk n LEU 268 Ca -0.35 -4.25 -0.33 0.00 -0.03 0.00 0.00 56.01 51.05 1phk n LEU 268 Cb 0.91 -1.62 -0.15 0.00 -2.33 0.00 0.00 43.42 40.24 1phk n LEU 268 CO 0.30 1.29 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.51 1phk s VAL 269 N 2.63 2.38 0.45 4.08 1.01 -1.26 -4.91 120.40 124.78 1phk s VAL 269 Ca 0.49 -1.36 0.15 0.00 0.00 0.00 0.00 61.98 61.26 1phk s VAL 269 Cb 0.14 -2.29 0.32 0.00 0.00 0.00 0.00 36.38 34.56 1phk s VAL 269 CO -0.07 0.11 2.01 -0.37 0.00 0.00 0.00 175.10 176.77 1phk h VAL 270 N 6.46 0.91 -3.06 2.92 -1.51 -1.90 -3.38 116.25 116.69 1phk h VAL 270 Ca -0.27 -0.11 -0.65 0.00 -1.23 0.00 0.00 66.70 64.44 1phk h VAL 270 Cb 1.07 0.56 -0.16 0.00 -2.13 0.00 0.00 31.29 30.63 1phk h VAL 270 CO 0.52 0.06 0.31 -1.10 -1.23 0.00 0.00 177.57 176.13 1phk s GLN 271 N -5.31 3.17 0.26 5.19 -1.52 -1.26 -4.61 119.66 115.57 1phk s GLN 271 Ca -0.07 -0.76 0.03 0.00 -1.95 0.00 0.00 55.36 52.61 1phk s GLN 271 Cb 0.19 -4.14 0.67 0.00 -0.22 0.00 0.00 33.01 29.51 1phk s GLN 271 CO 0.74 -1.47 1.27 -0.35 -0.25 0.00 0.00 175.29 175.22 1phk n PRO 272 N 6.89 -0.06 0.24 2.91 -0.04 -1.26 0.12 135.00 143.79 1phk n PRO 272 Ca -0.04 1.20 0.07 0.00 -0.04 0.00 0.00 63.50 64.70 1phk n PRO 272 Cb 0.46 -1.94 0.57 0.00 -0.04 0.00 0.00 33.50 32.55 1phk n PRO 272 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1phk h GLN 273 N 0.00 0.00 -0.68 0.54 7.50 -1.93 -2.42 115.11 118.12 1phk h GLN 273 Ca 0.51 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.66 1phk h GLN 273 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 1phk h GLN 273 CO -0.75 0.15 0.00 1.63 -1.50 0.00 0.00 178.83 178.36 1phk n LYS 274 N -4.19 2.97 -3.51 1.46 4.76 0.32 -4.97 118.16 114.99 1phk n LYS 274 Ca -0.02 -2.66 -0.30 0.00 -2.87 0.00 0.00 58.31 52.46 1phk n LYS 274 Cb 0.23 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 31.76 1phk n LYS 274 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1phk s ARG 275 N -1.20 3.63 0.52 1.97 3.52 -0.91 -4.92 118.95 121.55 1phk s ARG 275 Ca 0.47 -0.05 -0.22 0.00 -0.13 0.00 0.00 55.73 55.80 1phk s ARG 275 Cb 0.26 -2.74 -0.06 0.00 -1.56 0.00 0.00 34.95 30.85 1phk s ARG 275 CO 0.30 0.34 1.24 0.71 -0.81 0.00 0.00 175.30 177.07 1phk s TYR 276 N -1.88 2.56 0.37 5.12 1.51 -0.43 -5.03 117.35 119.56 1phk s TYR 276 Ca 0.43 1.47 0.07 0.00 -1.01 0.00 0.00 57.07 58.03 1phk s TYR 276 Cb -0.11 -3.55 -0.00 0.00 -0.11 0.00 0.00 41.96 38.19 1phk s TYR 276 CO 0.27 -2.15 0.50 0.95 -1.11 0.00 0.00 175.55 174.00 1phk s THR 277 N -1.47 3.58 0.20 -0.71 -4.23 -1.26 -4.85 115.64 106.90 1phk s THR 277 Ca 0.69 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.07 1phk s THR 277 Cb -0.33 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.41 1phk s THR 277 CO 0.39 -0.09 1.84 0.00 -0.54 0.00 0.00 174.62 176.22 1phk h ALA 278 N 0.82 0.85 -0.20 3.99 0.00 -1.94 0.12 119.26 122.90 1phk h ALA 278 Ca -0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1phk h ALA 278 Cb 1.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1phk h ALA 278 CO 0.50 0.17 -0.12 1.49 0.00 0.00 0.00 179.25 181.29 1phk h GLU 279 N 0.81 0.32 -0.01 0.00 4.81 -1.95 -1.29 114.58 117.28 1phk h GLU 279 Ca 0.26 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1phk h GLU 279 Cb 0.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1phk h GLU 279 CO -0.10 0.45 -0.23 0.93 -0.73 0.00 0.00 179.01 179.34 1phk h GLU 280 N 0.31 0.17 -0.43 1.92 5.08 -1.76 -3.11 114.58 116.75 1phk h GLU 280 Ca 0.06 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1phk h GLU 280 Cb 0.41 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1phk h GLU 280 CO 0.02 0.89 -0.12 0.00 -1.00 0.00 0.00 179.01 178.81 1phk h ALA 281 N 0.28 0.27 0.00 3.43 0.00 -0.55 0.14 119.26 122.84 1phk h ALA 281 Ca -0.03 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1phk h ALA 281 Cb 0.97 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1phk h ALA 281 CO 0.05 -0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 1phk h LEU 282 N -0.01 0.00 -0.42 0.00 3.38 -1.33 -1.33 115.31 115.61 1phk h LEU 282 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1phk h LEU 282 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1phk h LEU 282 CO -0.45 0.01 -0.46 0.00 0.09 0.00 0.00 178.44 177.63 1phk n ALA 283 N -2.12 3.53 -1.73 1.53 0.00 0.40 -4.72 120.51 117.40 1phk n ALA 283 Ca -0.02 -0.47 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1phk n ALA 283 Cb 0.15 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.64 1phk n ALA 283 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1phk s HIS 284 N -2.68 2.28 0.29 0.00 5.04 -0.50 -4.90 115.29 114.81 1phk s HIS 284 Ca 0.18 1.51 -0.01 0.00 -1.54 0.00 0.00 55.06 55.19 1phk s HIS 284 Cb 0.18 -3.55 0.65 0.00 0.04 0.00 0.00 32.58 29.91 1phk s HIS 284 CO 0.62 -2.45 1.59 -1.35 -2.34 0.00 0.00 174.74 170.80 1phk h PRO 285 N 0.73 0.04 -1.76 2.88 0.11 -1.92 -1.75 132.00 130.32 1phk h PRO 285 Ca -0.50 -0.00 0.51 0.00 0.11 0.00 0.00 66.00 66.11 1phk h PRO 285 Cb 1.31 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 1phk h PRO 285 CO 0.54 0.02 1.27 0.35 -0.21 0.00 0.00 178.00 179.97 1phk h PHE 286 N 0.04 0.00 -0.29 0.65 3.57 -1.90 0.16 116.94 119.16 1phk h PHE 286 Ca 0.54 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.04 1phk h PHE 286 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1phk h PHE 286 CO -0.50 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 176.77 1phk n PHE 287 N -4.00 0.88 -0.48 0.41 3.72 -0.66 -4.71 117.46 112.63 1phk n PHE 287 Ca 0.39 -0.80 0.06 0.00 -0.05 0.00 0.00 57.45 57.06 1phk n PHE 287 Cb 1.80 -0.26 0.19 0.00 -0.94 0.00 0.00 39.48 40.27 1phk n PHE 287 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1phk n GLN 288 N -0.26 2.88 -0.06 -1.08 1.13 0.54 -4.78 117.38 115.75 1phk n GLN 288 Ca 0.20 -2.32 0.22 0.00 -1.94 0.00 0.00 57.00 53.15 1phk n GLN 288 Cb 0.81 -1.47 0.68 0.00 0.11 0.00 0.00 30.24 30.37 1phk n GLN 288 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1phk h GLN 289 N 1.84 0.04 -0.46 -1.09 4.15 -1.84 -2.90 115.11 114.84 1phk h GLN 289 Ca 0.00 -0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 1phk h GLN 289 Cb 0.98 -0.01 -0.20 0.00 0.21 0.00 0.00 27.48 28.47 1phk h GLN 289 CO 0.08 0.02 -0.29 0.66 -1.93 0.00 0.00 178.83 177.38 1phk n TYR 290 N -4.36 1.54 1.78 3.99 4.01 -1.26 -5.26 117.16 117.60 1phk n TYR 290 Ca 0.12 -1.90 0.15 0.00 -0.16 0.00 0.00 57.90 56.12 1phk n TYR 290 Cb 0.68 -0.49 0.76 0.00 -0.31 0.00 0.00 39.34 39.98 1phk n TYR 290 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68