#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pf7 n ASN 3 N 0.00 0.00 0.00 1.62 6.94 -1.26 -4.01 115.26 118.55 1pf7 n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1pf7 n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1pf7 n ASN 3 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pf7 n GLY 4 N 0.00 1.00 3.57 4.83 0.00 -1.26 -4.82 105.19 108.51 1pf7 n GLY 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pf7 n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pf7 s TYR 5 N 0.00 2.74 0.23 1.61 2.02 -1.26 -5.13 117.35 117.57 1pf7 s TYR 5 Ca 0.00 -0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.61 1pf7 s TYR 5 Cb 0.00 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1pf7 s TYR 5 CO 0.00 0.40 0.24 0.95 -1.57 0.00 0.00 175.55 175.57 1pf7 s THR 6 N -1.15 4.73 0.25 -0.71 -4.23 -1.26 -4.97 115.64 108.29 1pf7 s THR 6 Ca 0.20 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.47 1pf7 s THR 6 Cb -0.11 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.41 1pf7 s THR 6 CO 0.12 -0.30 1.75 0.22 -0.54 0.00 0.00 174.62 175.87 1pf7 h TYR 7 N 1.55 0.64 0.00 3.99 3.20 -2.00 0.35 116.97 124.71 1pf7 h TYR 7 Ca -0.49 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 1pf7 h TYR 7 Cb 1.23 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 1pf7 h TYR 7 CO 0.53 0.14 -0.01 0.93 -1.64 0.00 0.00 178.16 178.11 1pf7 h GLU 8 N 0.55 0.00 0.13 1.82 3.07 -1.98 -1.19 114.58 116.97 1pf7 h GLU 8 Ca 0.43 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1pf7 h GLU 8 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1pf7 h GLU 8 CO -0.36 0.01 -0.06 -0.44 -1.40 0.00 0.00 179.01 176.76 1pf7 h ASP 9 N 0.00 -0.15 -0.51 1.42 3.32 -0.67 0.22 116.42 120.06 1pf7 h ASP 9 Ca -0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1pf7 h ASP 9 Cb 0.03 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1pf7 h ASP 9 CO 0.00 -0.02 0.28 1.88 -1.72 0.00 0.00 179.24 179.66 1pf7 h TYR 10 N -0.27 0.70 -0.80 4.55 0.05 -1.20 -1.66 116.97 118.33 1pf7 h TYR 10 Ca -0.02 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1pf7 h TYR 10 Cb 0.21 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 1pf7 h TYR 10 CO -0.04 0.51 0.49 -0.22 -1.05 0.00 0.00 178.16 177.86 1pf7 h LYS 11 N 0.67 1.08 0.00 4.88 3.11 -0.92 -0.32 116.57 125.08 1pf7 h LYS 11 Ca 0.18 -0.09 -0.11 0.00 -2.81 0.00 0.00 60.65 57.82 1pf7 h LYS 11 Cb 0.05 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.03 1pf7 h LYS 11 CO -0.03 0.75 -0.55 -0.91 -2.81 0.00 0.00 179.45 175.90 1pf7 h ASN 12 N 1.10 0.00 0.02 4.20 2.35 -0.25 -0.29 115.58 122.72 1pf7 h ASN 12 Ca 0.29 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 1pf7 h ASN 12 Cb -0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.32 1pf7 h ASN 12 CO -0.06 0.55 -0.53 0.74 -1.65 0.00 0.00 177.43 176.48 1pf7 h THR 13 N 0.00 1.48 -0.16 2.81 2.02 -0.64 -2.74 112.91 115.69 1pf7 h THR 13 Ca -0.01 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.03 1pf7 h THR 13 Cb 1.01 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 1pf7 h THR 13 CO 0.07 0.60 0.05 0.00 0.37 0.00 0.00 175.52 176.61 1pf7 h ALA 14 N 0.25 0.21 -0.99 6.16 0.00 -1.07 -1.15 119.26 122.66 1pf7 h ALA 14 Ca -0.07 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1pf7 h ALA 14 Cb 1.28 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1pf7 h ALA 14 CO 0.10 -0.17 0.63 0.93 0.00 0.00 0.00 179.25 180.74 1pf7 h GLU 15 N 0.07 0.96 -0.27 0.00 3.07 -1.17 0.12 114.58 117.36 1pf7 h GLU 15 Ca 0.05 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 1pf7 h GLU 15 Cb 0.23 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1pf7 h GLU 15 CO -0.00 0.63 -0.39 2.35 -1.40 0.00 0.00 179.01 180.20 1pf7 h TRP 16 N 0.98 0.91 0.14 4.33 7.01 -1.21 -1.04 115.95 127.07 1pf7 h TRP 16 Ca 0.49 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1pf7 h TRP 16 Cb 0.48 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1pf7 h TRP 16 CO -0.00 1.08 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.59 1pf7 h LEU 17 N 0.47 -0.16 -0.66 0.65 3.38 -0.59 -1.62 115.31 116.78 1pf7 h LEU 17 Ca 0.03 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1pf7 h LEU 17 Cb 0.98 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1pf7 h LEU 17 CO 0.09 0.02 0.30 -0.07 0.09 0.00 0.00 178.44 178.88 1pf7 h LEU 18 N -0.33 0.37 0.00 1.67 4.07 -0.80 0.33 115.31 120.62 1pf7 h LEU 18 Ca -0.02 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1pf7 h LEU 18 Cb 0.26 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1pf7 h LEU 18 CO 0.03 0.22 0.00 -1.54 -1.08 0.00 0.00 178.44 176.07 1pf7 n SER 19 N -4.91 0.00 -0.00 -0.43 3.41 -0.40 -3.27 113.62 108.02 1pf7 n SER 19 Ca 0.10 -0.50 0.03 0.00 -0.26 0.00 0.00 58.87 58.23 1pf7 n SER 19 Cb 0.26 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 1pf7 n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pf7 n HIS 20 N -1.13 0.00 -4.42 7.33 8.25 0.82 -4.98 115.22 121.09 1pf7 n HIS 20 Ca 0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 1pf7 n HIS 20 Cb 0.14 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 1pf7 n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1pf7 s THR 21 N -1.84 0.82 -0.58 1.59 -1.32 0.66 -4.97 115.64 109.99 1pf7 s THR 21 Ca 0.01 -0.39 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 1pf7 s THR 21 Cb 0.05 -0.72 0.26 0.00 -1.51 0.00 0.00 72.50 70.58 1pf7 s THR 21 CO 0.27 0.25 1.74 2.29 -2.21 0.00 0.00 174.62 176.95 1pf7 n LYS 22 N 3.19 0.21 -2.13 7.08 -0.00 -1.26 -4.63 118.16 120.62 1pf7 n LYS 22 Ca -0.17 0.34 -0.40 0.00 -0.00 0.00 0.00 58.31 58.08 1pf7 n LYS 22 Cb 0.55 -1.84 -0.01 0.00 -0.00 0.00 0.00 35.03 33.72 1pf7 n LYS 22 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1pf7 s HIS 23 N -3.23 2.97 -0.44 5.58 3.76 -1.26 -5.02 115.29 117.65 1pf7 s HIS 23 Ca 0.07 1.45 0.02 0.00 -0.15 0.00 0.00 55.06 56.45 1pf7 s HIS 23 Cb 0.10 -3.61 0.14 0.00 1.11 0.00 0.00 32.58 30.32 1pf7 s HIS 23 CO 0.47 -1.81 0.24 1.03 -0.85 0.00 0.00 174.74 173.81 1pf7 s ARG 24 N -2.06 1.28 0.41 1.40 1.81 -1.26 -4.86 118.95 115.67 1pf7 s ARG 24 Ca 0.54 -2.00 -0.26 0.00 -1.72 0.00 0.00 55.73 52.29 1pf7 s ARG 24 Cb -0.37 -2.33 -0.09 0.00 -0.45 0.00 0.00 34.95 31.71 1pf7 s ARG 24 CO 0.48 -1.16 1.36 -1.25 -0.68 0.00 0.00 175.30 174.05 1pf7 s PRO 25 N 0.36 3.93 -0.07 3.54 0.04 -1.26 -4.81 135.00 136.73 1pf7 s PRO 25 Ca 0.18 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1pf7 s PRO 25 Cb -0.24 -2.78 -0.07 0.00 0.04 0.00 0.00 34.50 31.45 1pf7 s PRO 25 CO 0.00 -0.57 -0.02 0.94 0.04 0.00 0.00 177.00 177.40 1pf7 n GLN 26 N 0.13 1.85 -4.86 4.56 7.27 0.11 -3.12 117.38 123.31 1pf7 n GLN 26 Ca 0.03 0.02 -0.33 0.00 0.07 0.00 0.00 57.00 56.79 1pf7 n GLN 26 Cb 0.42 -1.17 -0.15 0.00 2.41 0.00 0.00 30.24 31.76 1pf7 n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1pf7 s VAL 27 N -2.16 2.72 -0.15 1.69 1.01 -0.21 -0.43 120.40 122.88 1pf7 s VAL 27 Ca -0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1pf7 s VAL 27 Cb 0.02 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1pf7 s VAL 27 CO 0.23 0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.84 1pf7 s ALA 28 N 0.42 3.05 -0.13 5.51 0.00 -0.52 -0.72 121.76 129.37 1pf7 s ALA 28 Ca -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1pf7 s ALA 28 Cb -0.16 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1pf7 s ALA 28 CO 0.06 0.27 -0.16 0.42 0.00 0.00 0.00 175.76 176.35 1pf7 s ILE 29 N 0.18 1.60 -0.38 0.00 1.01 0.46 -1.13 121.20 122.94 1pf7 s ILE 29 Ca -0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1pf7 s ILE 29 Cb -0.14 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.91 1pf7 s ILE 29 CO 0.03 0.46 0.21 -0.63 0.00 0.00 0.00 174.94 175.01 1pf7 s ILE 30 N 1.12 4.47 -0.08 2.92 1.01 -0.70 0.35 121.20 130.30 1pf7 s ILE 30 Ca -0.03 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.35 1pf7 s ILE 30 Cb -0.14 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1pf7 s ILE 30 CO -0.05 -0.30 0.89 0.00 0.00 0.00 0.00 174.94 175.49 1pf7 n GLY 32 N 3.12 -1.28 3.74 0.00 0.00 -0.91 -4.02 105.19 105.84 1pf7 n GLY 32 Ca 0.05 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1pf7 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pf7 s SER 33 N -1.07 6.73 0.00 1.61 0.01 -1.26 -2.43 113.70 117.29 1pf7 s SER 33 Ca 0.00 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.85 1pf7 s SER 33 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1pf7 s SER 33 CO 0.00 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1pf7 n GLY 34 N 2.24 0.93 0.77 3.44 0.00 -1.26 -4.67 105.19 106.63 1pf7 n GLY 34 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1pf7 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pf7 n LEU 35 N 0.00 2.97 0.25 0.99 4.77 -1.02 -4.53 117.00 120.43 1pf7 n LEU 35 Ca 0.00 -1.77 0.12 0.00 -0.03 0.00 0.00 56.01 54.33 1pf7 n LEU 35 Cb 0.00 -0.23 0.63 0.00 -2.33 0.00 0.00 43.42 41.49 1pf7 n LEU 35 CO 0.00 0.71 0.91 1.23 -1.33 0.00 0.00 177.39 178.91 1pf7 h GLY 36 N 2.67 0.00 1.93 -0.72 0.00 -1.88 -2.68 103.07 102.39 1pf7 h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pf7 h GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pf7 n GLY 37 N -0.34 -0.64 0.27 4.60 0.00 -1.26 -1.44 105.19 106.38 1pf7 n GLY 37 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1pf7 n GLY 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pf7 h LEU 38 N 0.00 0.08 -2.44 0.99 6.46 -1.84 0.13 115.31 118.69 1pf7 h LEU 38 Ca 0.00 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1pf7 h LEU 38 Cb 0.08 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1pf7 h LEU 38 CO 0.00 0.07 -0.01 0.71 -0.62 0.00 0.00 178.44 178.59 1pf7 h THR 39 N 0.09 0.52 0.00 1.05 1.35 -1.50 0.14 112.91 114.57 1pf7 h THR 39 Ca 0.02 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1pf7 h THR 39 Cb 0.01 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1pf7 h THR 39 CO -0.00 0.01 0.00 0.44 -0.25 0.00 0.00 175.52 175.72 1pf7 h ASP 40 N 0.00 0.00 0.51 5.36 3.45 -0.93 -1.95 116.42 122.86 1pf7 h ASP 40 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pf7 h ASP 40 Cb 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1pf7 h ASP 40 CO 0.00 0.00 -0.40 0.29 -1.57 0.00 0.00 179.24 177.56 1pf7 n LYS 41 N -2.57 0.14 -2.56 3.56 5.02 0.04 -4.92 118.16 116.86 1pf7 n LYS 41 Ca -0.00 -0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 1pf7 n LYS 41 Cb 0.14 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1pf7 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pf7 s LEU 42 N -2.91 4.46 0.02 -0.35 1.43 -0.73 -4.73 118.68 115.86 1pf7 s LEU 42 Ca 0.14 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1pf7 s LEU 42 Cb 0.18 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1pf7 s LEU 42 CO 0.65 -0.16 -0.02 0.42 0.23 0.00 0.00 176.35 177.47 1pf7 s THR 43 N -1.31 3.95 -1.13 5.49 -4.23 -0.73 -4.43 115.64 113.25 1pf7 s THR 43 Ca 0.47 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1pf7 s THR 43 Cb -0.28 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1pf7 s THR 43 CO 0.35 0.32 0.10 0.00 -0.54 0.00 0.00 174.62 174.85 1pf7 n GLN 44 N 1.25 -1.61 -1.93 3.99 1.13 -1.26 -0.14 117.38 118.81 1pf7 n GLN 44 Ca -0.14 0.65 -0.41 0.00 -1.94 0.00 0.00 57.00 55.16 1pf7 n GLN 44 Cb 0.52 -4.89 -0.01 0.00 0.11 0.00 0.00 30.24 25.97 1pf7 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pf7 s ALA 45 N -2.75 3.56 -0.05 -1.58 0.00 -1.24 -4.22 121.76 115.48 1pf7 s ALA 45 Ca 0.05 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1pf7 s ALA 45 Cb -0.02 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1pf7 s ALA 45 CO 0.06 -0.88 0.02 -1.14 0.00 0.00 0.00 175.76 173.83 1pf7 s GLN 46 N -1.81 0.26 -0.07 0.00 0.74 0.21 -4.94 119.66 114.05 1pf7 s GLN 46 Ca 0.52 0.20 -0.02 0.00 0.05 0.00 0.00 55.36 56.11 1pf7 s GLN 46 Cb -0.44 -0.65 -0.04 0.00 1.10 0.00 0.00 33.01 32.98 1pf7 s GLN 46 CO 0.57 -0.26 0.05 0.42 -0.55 0.00 0.00 175.29 175.52 1pf7 s ILE 47 N 1.76 4.62 -0.08 -2.34 1.01 -1.26 0.82 121.20 125.72 1pf7 s ILE 47 Ca 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1pf7 s ILE 47 Cb -0.13 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.37 1pf7 s ILE 47 CO -0.03 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.06 1pf7 s PHE 48 N -0.99 0.93 0.20 3.97 0.08 0.94 -4.99 117.98 118.12 1pf7 s PHE 48 Ca 0.16 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1pf7 s PHE 48 Cb -0.12 -0.92 -0.08 0.00 -0.57 0.00 0.00 43.02 41.34 1pf7 s PHE 48 CO 0.06 -0.37 0.98 -0.51 -0.10 0.00 0.00 175.22 175.28 1pf7 s ASP 49 N 1.75 7.52 0.31 1.36 1.01 -1.26 -0.11 116.67 127.24 1pf7 s ASP 49 Ca 0.03 1.96 0.02 0.00 0.71 0.00 0.00 52.55 55.27 1pf7 s ASP 49 Cb -0.13 -2.61 0.76 0.00 1.01 0.00 0.00 42.92 41.96 1pf7 s ASP 49 CO -0.05 0.02 1.58 1.88 0.21 0.00 0.00 175.17 178.80 1pf7 h TYR 50 N 4.64 -0.01 -0.99 4.23 0.05 -1.90 0.57 116.97 123.57 1pf7 h TYR 50 Ca -0.44 0.07 0.21 0.00 0.05 0.00 0.00 58.73 58.62 1pf7 h TYR 50 Cb 1.21 0.16 -0.19 0.00 1.01 0.00 0.00 36.73 38.92 1pf7 h TYR 50 CO 0.62 -0.42 -0.19 -1.13 -1.05 0.00 0.00 178.16 175.99 1pf7 n SER 51 N -5.47 -0.30 0.15 3.88 3.41 -1.26 -0.98 113.62 113.05 1pf7 n SER 51 Ca 0.23 1.69 0.00 0.00 -0.26 0.00 0.00 58.87 60.54 1pf7 n SER 51 Cb 0.77 -0.53 0.24 0.00 -0.26 0.00 0.00 64.21 64.42 1pf7 n SER 51 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pf7 h GLU 52 N 0.00 0.00 -6.15 4.33 5.08 -0.20 -3.44 114.58 114.19 1pf7 h GLU 52 Ca 0.50 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.29 1pf7 h GLU 52 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1pf7 h GLU 52 CO -1.00 0.53 0.82 0.42 -1.00 0.00 0.00 179.01 178.78 1pf7 s ILE 53 N -3.80 4.45 0.05 3.13 1.01 -0.15 -4.96 121.20 120.92 1pf7 s ILE 53 Ca -0.02 1.75 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 1pf7 s ILE 53 Cb 0.13 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.52 1pf7 s ILE 53 CO 0.75 -0.12 0.32 -2.65 0.00 0.00 0.00 174.94 173.23 1pf7 n PRO 54 N 6.23 -0.05 -0.01 2.79 -0.02 -1.26 -1.71 135.00 140.96 1pf7 n PRO 54 Ca 0.13 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1pf7 n PRO 54 Cb 0.46 -0.47 0.01 0.00 -0.02 0.00 0.00 33.50 33.48 1pf7 n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pf7 n ASN 55 N -4.30 1.84 -4.67 2.55 3.02 -1.26 -5.04 115.26 107.40 1pf7 n ASN 55 Ca 0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 1pf7 n ASN 55 Cb 0.08 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1pf7 n ASN 55 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1pf7 s PHE 56 N -1.06 2.40 0.21 3.10 5.36 -0.70 -4.96 117.98 122.33 1pf7 s PHE 56 Ca 0.03 0.48 -0.32 0.00 -0.96 0.00 0.00 56.93 56.15 1pf7 s PHE 56 Cb 0.02 -3.81 -0.13 0.00 -0.34 0.00 0.00 43.02 38.77 1pf7 s PHE 56 CO 0.00 -3.23 1.65 -2.30 -1.46 0.00 0.00 175.22 169.88 1pf7 n PRO 57 N 6.27 2.57 -1.99 10.12 -0.02 -1.26 -4.64 135.00 146.06 1pf7 n PRO 57 Ca 0.15 0.93 -0.28 0.00 -2.02 0.00 0.00 63.50 62.28 1pf7 n PRO 57 Cb 0.43 -2.74 0.08 0.00 -0.02 0.00 0.00 33.50 31.25 1pf7 n PRO 57 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pf7 s ARG 58 N 0.79 2.13 0.18 -0.52 0.52 -1.26 -4.75 118.95 116.04 1pf7 s ARG 58 Ca 0.74 0.05 -0.28 0.00 -0.52 0.00 0.00 55.73 55.72 1pf7 s ARG 58 Cb -0.56 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 32.82 1pf7 s ARG 58 CO 0.37 -1.43 0.88 -1.12 0.02 0.00 0.00 175.30 174.01 1pf7 s SER 59 N -4.54 7.50 0.00 0.23 0.01 -1.26 -4.96 113.70 110.69 1pf7 s SER 59 Ca 0.61 1.78 0.03 0.00 1.31 0.00 0.00 55.95 59.69 1pf7 s SER 59 Cb -0.11 -2.56 0.15 0.00 0.21 0.00 0.00 66.02 63.72 1pf7 s SER 59 CO 0.48 0.13 1.05 0.35 0.41 0.00 0.00 173.24 175.66 1pf7 n THR 60 N 1.86 1.53 0.02 1.44 -2.24 -1.26 -4.25 114.28 111.38 1pf7 n THR 60 Ca -0.02 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1pf7 n THR 60 Cb 0.48 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1pf7 n THR 60 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1pf7 n VAL 61 N -1.43 0.00 0.00 2.28 0.31 -1.26 -4.99 118.33 113.23 1pf7 n VAL 61 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1pf7 n VAL 61 Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1pf7 n VAL 61 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1pf7 n PRO 62 N -2.50 0.00 -0.36 5.55 -0.04 -1.26 -3.95 135.00 132.43 1pf7 n PRO 62 Ca 0.00 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.74 1pf7 n PRO 62 Cb 0.00 -1.00 0.58 0.00 -0.04 0.00 0.00 33.50 33.04 1pf7 n PRO 62 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1pf7 h GLY 63 N 0.21 1.11 -1.29 0.55 0.00 -1.88 0.76 103.07 102.54 1pf7 h GLY 63 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1pf7 h GLY 63 CO 0.00 -0.20 0.00 -2.39 0.00 0.00 0.00 176.54 173.95 1pf7 n HIS 64 N -4.60 0.00 0.00 5.60 1.44 -1.25 -0.85 115.22 115.56 1pf7 n HIS 64 Ca 0.29 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.95 1pf7 n HIS 64 Cb 1.09 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 31.13 1pf7 n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pf7 n ALA 65 N 0.47 0.63 -2.35 1.59 0.00 0.24 -5.10 120.51 115.99 1pf7 n ALA 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pf7 n ALA 65 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1pf7 n ALA 65 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pf7 s GLY 66 N -1.60 1.24 0.15 0.00 0.00 0.02 -4.46 107.32 102.67 1pf7 s GLY 66 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.59 1pf7 s GLY 66 CO 0.00 2.72 0.46 1.09 0.00 0.00 0.00 173.10 177.37 1pf7 s ARG 67 N 4.55 1.19 -0.28 2.90 3.03 0.68 -4.07 118.95 126.96 1pf7 s ARG 67 Ca 0.60 -0.74 -0.07 0.00 2.03 0.00 0.00 55.73 57.56 1pf7 s ARG 67 Cb -0.16 0.50 -0.01 0.00 -1.03 0.00 0.00 34.95 34.25 1pf7 s ARG 67 CO 0.28 -0.49 0.08 -1.17 -1.13 0.00 0.00 175.30 172.87 1pf7 s LEU 68 N -2.82 3.66 -0.26 -1.89 2.96 0.84 0.18 118.68 121.35 1pf7 s LEU 68 Ca 0.05 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1pf7 s LEU 68 Cb 0.01 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1pf7 s LEU 68 CO -0.09 -0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.07 1pf7 s VAL 69 N 1.55 2.90 0.17 1.68 1.01 0.60 -0.04 120.40 128.26 1pf7 s VAL 69 Ca 0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1pf7 s VAL 69 Cb -0.16 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1pf7 s VAL 69 CO 0.03 0.15 0.61 -0.36 0.00 0.00 0.00 175.10 175.53 1pf7 s PHE 70 N 1.31 3.64 -1.16 5.22 0.40 0.24 -0.78 117.98 126.85 1pf7 s PHE 70 Ca -0.01 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1pf7 s PHE 70 Cb -0.17 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.90 1pf7 s PHE 70 CO -0.04 0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.70 1pf7 n GLY 71 N 0.85 -0.97 3.31 4.36 0.00 -0.95 0.63 105.19 112.42 1pf7 n GLY 71 Ca -0.05 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1pf7 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pf7 s PHE 72 N -3.00 2.59 -0.15 1.61 0.08 0.81 -1.02 117.98 118.90 1pf7 s PHE 72 Ca 0.00 -0.71 -0.00 0.00 0.12 0.00 0.00 56.93 56.34 1pf7 s PHE 72 Cb 0.00 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1pf7 s PHE 72 CO 0.00 -0.21 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.66 1pf7 s LEU 73 N 0.01 1.52 -1.28 -0.37 2.96 -0.35 -1.77 118.68 119.41 1pf7 s LEU 73 Ca -0.07 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 1pf7 s LEU 73 Cb -0.15 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1pf7 s LEU 73 CO 0.05 -0.15 0.13 -3.20 -1.32 0.00 0.00 176.35 171.87 1pf7 n ASN 74 N 4.87 -0.15 0.00 3.68 5.15 -1.26 -0.03 115.26 127.52 1pf7 n ASN 74 Ca -0.13 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 1pf7 n ASN 74 Cb 0.49 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1pf7 n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pf7 n GLY 75 N -2.28 1.15 3.62 8.20 0.00 -1.26 -4.06 105.19 110.56 1pf7 n GLY 75 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1pf7 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pf7 s ARG 76 N -0.57 2.54 -0.25 1.61 1.81 0.96 -5.06 118.95 119.98 1pf7 s ARG 76 Ca 0.00 -0.76 -0.25 0.00 -1.72 0.00 0.00 55.73 53.00 1pf7 s ARG 76 Cb 0.00 -2.51 -0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1pf7 s ARG 76 CO 0.00 0.59 0.87 0.00 -0.68 0.00 0.00 175.30 176.08 1pf7 s ALA 77 N -1.08 3.63 0.38 2.13 0.00 -1.26 -1.21 121.76 124.35 1pf7 s ALA 77 Ca 0.19 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.11 1pf7 s ALA 77 Cb -0.11 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1pf7 s ALA 77 CO 0.10 -1.01 0.02 0.00 0.00 0.00 0.00 175.76 174.87 1pf7 s VAL 79 N -2.61 -0.23 0.02 0.00 0.11 0.10 -2.24 120.40 115.55 1pf7 s VAL 79 Ca 0.36 0.36 0.04 0.00 -2.93 0.00 0.00 61.98 59.81 1pf7 s VAL 79 Cb 0.04 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1pf7 s VAL 79 CO 0.19 0.15 -0.08 -0.04 -3.33 0.00 0.00 175.10 171.99 1pf7 s MET 80 N 2.25 2.45 -0.39 1.54 -1.94 0.04 -0.41 119.30 122.84 1pf7 s MET 80 Ca 0.03 -0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1pf7 s MET 80 Cb -0.12 -2.44 0.08 0.00 2.01 0.00 0.00 34.83 34.36 1pf7 s MET 80 CO -0.05 0.58 0.19 1.41 -0.01 0.00 0.00 175.02 177.14 1pf7 s MET 81 N -1.52 2.39 -0.44 2.03 1.75 0.15 -0.29 119.30 123.36 1pf7 s MET 81 Ca 0.17 -1.53 -0.21 0.00 -1.25 0.00 0.00 55.69 52.87 1pf7 s MET 81 Cb -0.11 -3.61 0.03 0.00 2.84 0.00 0.00 34.83 33.98 1pf7 s MET 81 CO 0.08 -0.93 0.69 -1.14 -0.65 0.00 0.00 175.02 173.07 1pf7 s GLN 82 N 1.31 3.31 0.00 4.11 0.74 0.13 -1.86 119.66 127.39 1pf7 s GLN 82 Ca 0.03 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1pf7 s GLN 82 Cb -0.22 -3.95 0.00 0.00 1.10 0.00 0.00 33.01 29.94 1pf7 s GLN 82 CO -0.00 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 1pf7 n GLY 83 N 5.02 -0.04 3.73 2.59 0.00 -1.26 -0.23 105.19 115.01 1pf7 n GLY 83 Ca -0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1pf7 n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pf7 s ARG 84 N -1.03 0.93 0.14 1.61 1.70 -1.26 -4.64 118.95 116.40 1pf7 s ARG 84 Ca 0.00 0.52 -0.05 0.00 -0.47 0.00 0.00 55.73 55.72 1pf7 s ARG 84 Cb 0.00 -1.80 -0.06 0.00 -0.57 0.00 0.00 34.95 32.53 1pf7 s ARG 84 CO 0.00 -2.39 0.38 -0.06 -1.08 0.00 0.00 175.30 172.15 1pf7 s PHE 85 N -3.07 3.48 0.09 5.89 0.08 -1.26 -5.09 117.98 118.10 1pf7 s PHE 85 Ca 0.64 0.59 0.06 0.00 0.12 0.00 0.00 56.93 58.34 1pf7 s PHE 85 Cb -0.17 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 1pf7 s PHE 85 CO 0.56 0.44 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.96 1pf7 s HIS 86 N -1.63 1.35 0.15 0.36 3.76 -1.26 -4.91 115.29 113.11 1pf7 s HIS 86 Ca 0.40 -0.48 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 1pf7 s HIS 86 Cb -0.12 -0.74 0.03 0.00 1.11 0.00 0.00 32.58 32.86 1pf7 s HIS 86 CO 0.24 0.10 1.70 1.98 -0.85 0.00 0.00 174.74 177.91 1pf7 h MET 87 N 4.06 0.06 0.00 1.40 4.05 -1.78 -2.22 114.93 120.49 1pf7 h MET 87 Ca -0.41 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1pf7 h MET 87 Cb 1.19 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1pf7 h MET 87 CO 0.43 0.04 0.39 0.10 0.23 0.00 0.00 176.91 178.09 1pf7 h TYR 88 N 0.06 0.00 -0.00 1.39 -0.00 -1.88 0.18 116.97 116.72 1pf7 h TYR 88 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.87 1pf7 h TYR 88 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.93 1pf7 h TYR 88 CO -0.24 0.00 -0.19 0.39 -0.00 0.00 0.00 178.16 178.12 1pf7 n GLU 89 N -2.81 0.37 0.00 0.10 1.02 -0.84 -4.79 120.64 113.70 1pf7 n GLU 89 Ca -0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1pf7 n GLU 89 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1pf7 n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pf7 n GLY 90 N 1.39 2.52 3.68 0.62 0.00 0.63 -4.93 105.19 109.10 1pf7 n GLY 90 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pf7 n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pf7 s TYR 91 N -2.24 1.94 0.76 1.61 2.02 -1.22 -4.97 117.35 115.25 1pf7 s TYR 91 Ca 0.00 -0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 1pf7 s TYR 91 Cb 0.00 -4.18 0.05 0.00 -0.40 0.00 0.00 41.96 37.44 1pf7 s TYR 91 CO 0.00 -4.96 1.13 -1.25 -1.57 0.00 0.00 175.55 168.90 1pf7 s PRO 92 N 3.20 2.18 0.64 -1.71 0.04 -1.26 -4.42 135.00 133.67 1pf7 s PRO 92 Ca 0.82 1.41 0.36 0.00 0.04 0.00 0.00 61.00 63.63 1pf7 s PRO 92 Cb -0.44 -1.87 1.98 0.00 0.04 0.00 0.00 34.50 34.20 1pf7 s PRO 92 CO 0.37 -1.73 2.17 -0.07 0.04 0.00 0.00 177.00 177.77 1pf7 h LEU 93 N -0.76 0.00 -0.09 -3.56 3.38 -1.94 -0.76 115.31 111.58 1pf7 h LEU 93 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1pf7 h LEU 93 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1pf7 h LEU 93 CO 0.50 0.00 -0.00 -2.67 0.09 0.00 0.00 178.44 176.36 1pf7 n TRP 94 N -3.24 0.00 -0.10 1.13 4.27 -1.26 -1.92 117.44 116.32 1pf7 n TRP 94 Ca -0.02 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.44 1pf7 n TRP 94 Cb 0.23 -0.03 -0.09 0.00 -1.36 0.00 0.00 31.31 30.07 1pf7 n TRP 94 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1pf7 n LYS 95 N -0.92 0.48 -0.13 -2.67 5.02 -0.33 -3.86 118.16 115.76 1pf7 n LYS 95 Ca 0.23 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.60 1pf7 n LYS 95 Cb 0.15 -1.36 0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1pf7 n LYS 95 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pf7 h VAL 96 N -0.15 0.70 -0.26 -0.18 2.07 -1.36 -2.55 116.25 114.51 1pf7 h VAL 96 Ca -0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1pf7 h VAL 96 Cb 1.63 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1pf7 h VAL 96 CO -0.12 0.02 0.00 0.35 0.02 0.00 0.00 177.57 177.84 1pf7 n THR 97 N -5.19 0.33 -0.02 2.57 -2.24 -0.81 -4.31 114.28 104.63 1pf7 n THR 97 Ca 0.03 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 1pf7 n THR 97 Cb 0.21 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1pf7 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1pf7 h PHE 98 N 2.84 -0.14 -0.79 4.78 3.57 -1.56 -2.43 116.94 123.21 1pf7 h PHE 98 Ca 0.00 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1pf7 h PHE 98 Cb 0.63 0.09 -0.14 0.00 2.79 0.00 0.00 35.95 39.31 1pf7 h PHE 98 CO 0.17 -0.10 -0.06 -1.00 -2.23 0.00 0.00 178.31 175.09 1pf7 h PRO 99 N -0.04 0.06 -0.46 6.41 0.13 -1.77 -1.01 132.00 135.32 1pf7 h PRO 99 Ca 0.08 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.29 1pf7 h PRO 99 Cb 0.16 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.20 1pf7 h PRO 99 CO -0.17 0.04 0.02 0.28 -0.23 0.00 0.00 178.00 177.93 1pf7 h VAL 100 N 0.06 0.66 -0.45 1.56 2.07 -1.75 0.17 116.25 118.57 1pf7 h VAL 100 Ca 0.42 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.89 1pf7 h VAL 100 Cb 0.73 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1pf7 h VAL 100 CO -0.74 0.02 0.26 0.03 0.02 0.00 0.00 177.57 177.16 1pf7 h ARG 101 N 0.13 0.61 0.08 1.57 2.47 -1.09 -0.96 114.38 117.19 1pf7 h ARG 101 Ca 0.23 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.64 1pf7 h ARG 101 Cb 0.33 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1pf7 h ARG 101 CO -0.36 0.44 -1.12 -0.39 0.56 0.00 0.00 179.97 179.10 1pf7 h VAL 102 N 0.62 1.47 -0.88 2.04 -1.51 -0.31 -2.94 116.25 114.74 1pf7 h VAL 102 Ca 0.16 -2.83 0.03 0.00 -1.23 0.00 0.00 66.70 62.83 1pf7 h VAL 102 Cb 0.00 2.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.85 1pf7 h VAL 102 CO -0.03 0.83 0.57 -0.26 -1.23 0.00 0.00 177.57 177.46 1pf7 h PHE 103 N 0.13 1.08 -0.28 5.19 0.04 -0.15 0.50 116.94 123.45 1pf7 h PHE 103 Ca -0.11 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.74 1pf7 h PHE 103 Cb 1.81 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 39.54 1pf7 h PHE 103 CO 0.06 0.64 -0.07 1.25 -0.60 0.00 0.00 178.31 179.59 1pf7 h HIS 104 N 1.13 -0.15 0.00 -0.55 -0.00 -1.12 -0.79 115.15 113.67 1pf7 h HIS 104 Ca 0.34 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 1pf7 h HIS 104 Cb -0.04 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1pf7 h HIS 104 CO -0.02 -0.12 0.00 1.28 -0.00 0.00 0.00 177.93 179.07 1pf7 n LEU 105 N -5.24 0.36 0.12 0.26 4.77 -0.52 -1.83 117.00 114.91 1pf7 n LEU 105 Ca -0.01 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 1pf7 n LEU 105 Cb 0.16 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1pf7 n LEU 105 CO 0.20 -0.35 0.35 -0.07 -1.33 0.00 0.00 177.39 176.20 1pf7 h LEU 106 N 0.00 0.00 0.00 2.23 4.07 0.38 -3.46 115.31 118.53 1pf7 h LEU 106 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pf7 h LEU 106 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1pf7 h LEU 106 CO 0.00 0.56 0.00 0.61 -1.08 0.00 0.00 178.44 178.53 1pf7 n GLY 107 N 1.26 0.97 3.69 0.83 0.00 -0.76 -4.60 105.19 106.58 1pf7 n GLY 107 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1pf7 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pf7 n VAL 108 N -0.28 0.03 0.23 1.61 0.31 -0.46 -4.68 118.33 115.10 1pf7 n VAL 108 Ca 0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1pf7 n VAL 108 Cb 0.00 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.14 1pf7 n VAL 108 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1pf7 n ASP 109 N 3.63 0.84 -4.14 4.52 5.68 0.43 -4.48 116.55 123.03 1pf7 n ASP 109 Ca 0.16 -0.53 -0.17 0.00 -0.50 0.00 0.00 54.79 53.74 1pf7 n ASP 109 Cb 0.32 1.05 -0.12 0.00 -1.14 0.00 0.00 41.12 41.22 1pf7 n ASP 109 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1pf7 s THR 110 N -1.71 0.98 -0.08 2.12 2.01 -0.98 -0.10 115.64 117.89 1pf7 s THR 110 Ca 0.02 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 1pf7 s THR 110 Cb 0.04 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.63 1pf7 s THR 110 CO 0.25 -0.22 0.01 -0.22 -0.69 0.00 0.00 174.62 173.74 1pf7 s LEU 111 N -1.60 0.58 -0.27 4.42 2.96 0.87 -1.44 118.68 124.20 1pf7 s LEU 111 Ca -0.03 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1pf7 s LEU 111 Cb -0.10 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 1pf7 s LEU 111 CO 0.02 -0.20 0.07 0.54 -1.32 0.00 0.00 176.35 175.46 1pf7 s VAL 112 N 1.98 4.09 -0.16 1.68 0.11 -0.28 -2.65 120.40 125.17 1pf7 s VAL 112 Ca 0.05 -0.45 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1pf7 s VAL 112 Cb -0.12 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.67 1pf7 s VAL 112 CO -0.05 0.21 0.11 0.68 -3.33 0.00 0.00 175.10 172.72 1pf7 s VAL 113 N 1.55 5.23 0.11 2.04 -7.23 -0.92 -1.71 120.40 119.47 1pf7 s VAL 113 Ca 0.05 0.11 0.08 0.00 -1.81 0.00 0.00 61.98 60.41 1pf7 s VAL 113 Cb -0.16 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 1pf7 s VAL 113 CO 0.03 0.52 -0.19 0.42 -0.31 0.00 0.00 175.10 175.56 1pf7 s THR 114 N -0.21 1.65 0.27 5.32 -4.23 -0.17 -0.98 115.64 117.30 1pf7 s THR 114 Ca 0.10 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1pf7 s THR 114 Cb -0.12 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.16 1pf7 s THR 114 CO 0.01 -0.14 0.50 0.54 -0.54 0.00 0.00 174.62 174.98 1pf7 s ASN 115 N -2.06 0.03 -0.15 3.99 6.03 -0.94 -2.15 114.94 119.69 1pf7 s ASN 115 Ca 0.07 -1.01 -0.01 0.00 -1.03 0.00 0.00 52.86 50.89 1pf7 s ASN 115 Cb -0.09 0.61 -0.01 0.00 -3.03 0.00 0.00 41.25 38.73 1pf7 s ASN 115 CO 0.04 -1.19 -0.12 0.00 -2.03 0.00 0.00 177.10 173.81 1pf7 s ALA 116 N -3.81 2.64 0.21 3.54 0.00 -1.26 0.01 121.76 123.08 1pf7 s ALA 116 Ca 0.23 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1pf7 s ALA 116 Cb -0.01 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1pf7 s ALA 116 CO 0.10 0.10 0.07 0.00 0.00 0.00 0.00 175.76 176.03 1pf7 s ALA 117 N 0.60 1.39 0.04 0.00 0.00 0.04 -4.75 121.76 119.07 1pf7 s ALA 117 Ca -0.07 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.07 1pf7 s ALA 117 Cb -0.15 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 23.86 1pf7 s ALA 117 CO 0.03 -0.45 0.40 0.20 0.00 0.00 0.00 175.76 175.94 1pf7 s GLY 118 N -3.21 2.40 -0.28 0.00 0.00 -0.09 -0.74 107.32 105.40 1pf7 s GLY 118 Ca 0.32 -0.32 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 1pf7 s GLY 118 CO 0.09 -0.03 0.95 -0.32 0.00 0.00 0.00 173.10 173.79 1pf7 s GLY 119 N -1.45 1.67 -0.22 0.20 0.00 0.76 -2.13 107.32 106.15 1pf7 s GLY 119 Ca 0.29 -0.10 0.10 0.00 0.00 0.00 0.00 44.72 45.00 1pf7 s GLY 119 CO 0.16 2.04 -0.07 1.04 0.00 0.00 0.00 173.10 176.26 1pf7 n LEU 120 N 6.40 1.42 -4.69 0.66 4.77 0.93 -1.77 117.00 124.71 1pf7 n LEU 120 Ca 0.09 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1pf7 n LEU 120 Cb 0.47 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1pf7 n LEU 120 CO 0.53 0.68 1.13 0.21 -1.33 0.00 0.00 177.39 178.61 1pf7 s ASN 121 N -5.84 6.84 0.51 -1.43 3.84 -0.40 -4.89 114.94 113.57 1pf7 s ASN 121 Ca -0.21 2.13 0.16 0.00 0.21 0.00 0.00 52.86 55.15 1pf7 s ASN 121 Cb 0.07 -2.56 1.23 0.00 -0.55 0.00 0.00 41.25 39.44 1pf7 s ASN 121 CO 0.68 -0.73 2.12 -0.65 -2.79 0.00 0.00 177.10 175.73 1pf7 h PRO 122 N 7.88 0.00 -0.68 0.43 0.11 -1.92 -1.59 132.00 136.23 1pf7 h PRO 122 Ca -0.38 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.75 1pf7 h PRO 122 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1pf7 h PRO 122 CO 0.91 0.03 0.45 0.87 -0.21 0.00 0.00 178.00 180.05 1pf7 h LYS 123 N 0.00 0.83 -7.10 1.05 6.56 -1.99 -3.43 116.57 112.47 1pf7 h LYS 123 Ca -0.00 -0.05 -0.54 0.00 -1.06 0.00 0.00 60.65 59.00 1pf7 h LYS 123 Cb 0.06 -0.19 0.13 0.00 -0.57 0.00 0.00 32.23 31.66 1pf7 h LYS 123 CO 0.00 0.55 0.48 -0.06 -2.06 0.00 0.00 179.45 178.37 1pf7 s PHE 124 N -5.73 2.29 0.06 -1.35 0.40 -0.60 -5.04 117.98 108.00 1pf7 s PHE 124 Ca -0.10 1.51 0.05 0.00 -0.60 0.00 0.00 56.93 57.79 1pf7 s PHE 124 Cb 0.18 -3.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.14 1pf7 s PHE 124 CO 0.77 -2.44 -0.14 -1.21 0.70 0.00 0.00 175.22 172.89 1pf7 s GLU 125 N -3.36 0.88 0.35 0.44 2.02 -1.26 -5.00 118.70 112.77 1pf7 s GLU 125 Ca 0.79 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 1pf7 s GLU 125 Cb -0.33 -0.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.90 1pf7 s GLU 125 CO 0.35 0.21 1.49 0.54 0.02 0.00 0.00 175.26 177.88 1pf7 s VAL 126 N -1.07 2.13 0.00 2.63 0.11 -1.26 -1.07 120.40 121.87 1pf7 s VAL 126 Ca -0.00 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1pf7 s VAL 126 Cb -0.09 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1pf7 s VAL 126 CO 0.02 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1pf7 n GLY 127 N 0.93 2.63 3.74 6.54 0.00 0.13 -5.02 105.19 114.15 1pf7 n GLY 127 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1pf7 n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pf7 s ASP 128 N -0.44 4.85 -0.17 1.61 1.11 -0.23 -4.71 116.67 118.68 1pf7 s ASP 128 Ca 0.00 2.68 -0.02 0.00 0.18 0.00 0.00 52.55 55.39 1pf7 s ASP 128 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 1pf7 s ASP 128 CO 0.00 -1.85 -0.08 -0.63 1.18 0.00 0.00 175.17 173.79 1pf7 s ILE 129 N -1.36 3.32 -0.22 0.77 1.01 -1.26 -0.45 121.20 123.01 1pf7 s ILE 129 Ca 0.79 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 1pf7 s ILE 129 Cb -0.39 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1pf7 s ILE 129 CO 0.43 0.48 -0.04 -0.32 0.00 0.00 0.00 174.94 175.48 1pf7 s MET 130 N 0.78 3.38 0.06 2.79 -2.45 0.46 -1.98 119.30 122.35 1pf7 s MET 130 Ca -0.03 -0.62 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 1pf7 s MET 130 Cb -0.15 -3.00 -0.05 0.00 1.25 0.00 0.00 34.83 32.88 1pf7 s MET 130 CO 0.01 -0.18 1.16 -1.17 1.05 0.00 0.00 175.02 175.90 1pf7 s LEU 131 N 1.44 4.38 -0.27 4.11 0.20 0.13 0.14 118.68 128.82 1pf7 s LEU 131 Ca 0.05 1.98 -0.29 0.00 0.69 0.00 0.00 54.13 56.57 1pf7 s LEU 131 Cb -0.14 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 1pf7 s LEU 131 CO -0.03 -0.42 1.03 -0.63 -0.29 0.00 0.00 176.35 176.01 1pf7 s ILE 132 N 0.94 4.63 -0.11 6.68 1.01 -0.12 -1.73 121.20 132.50 1pf7 s ILE 132 Ca 0.57 1.86 0.18 0.00 0.00 0.00 0.00 60.65 63.26 1pf7 s ILE 132 Cb -0.28 -4.33 -0.26 0.00 0.01 0.00 0.00 42.46 37.59 1pf7 s ILE 132 CO 0.30 -0.28 0.43 -1.14 0.00 0.00 0.00 174.94 174.24 1pf7 n ARG 133 N 6.49 0.63 -3.74 2.79 0.63 -0.01 -4.55 116.66 118.89 1pf7 n ARG 133 Ca 0.11 -0.14 -0.04 0.00 -0.92 0.00 0.00 57.85 56.87 1pf7 n ARG 133 Cb 0.47 -1.41 -0.01 0.00 0.45 0.00 0.00 32.46 31.96 1pf7 n ARG 133 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pf7 s ASP 134 N -3.86 -0.18 0.06 6.15 -1.08 -1.19 -4.70 116.67 111.87 1pf7 s ASP 134 Ca -0.05 -0.38 -0.08 0.00 -0.52 0.00 0.00 52.55 51.52 1pf7 s ASP 134 Cb 0.11 0.48 -0.01 0.00 -1.46 0.00 0.00 42.92 42.05 1pf7 s ASP 134 CO 0.73 -0.88 0.16 -1.38 0.52 0.00 0.00 175.17 174.32 1pf7 s HIS 135 N -3.26 0.16 -0.19 -5.34 -3.43 -1.26 -0.11 115.29 101.86 1pf7 s HIS 135 Ca 0.12 -0.52 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 1pf7 s HIS 135 Cb -0.01 -0.09 0.03 0.00 -1.43 0.00 0.00 32.58 31.08 1pf7 s HIS 135 CO 0.02 -0.47 -0.15 0.42 -2.00 0.00 0.00 174.74 172.56 1pf7 s ILE 136 N -3.28 1.90 -1.00 -5.38 1.01 -0.25 -4.88 121.20 109.32 1pf7 s ILE 136 Ca 0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 1pf7 s ILE 136 Cb 0.02 -1.84 0.21 0.00 0.01 0.00 0.00 42.46 40.87 1pf7 s ILE 136 CO -0.08 0.33 1.05 0.21 0.00 0.00 0.00 174.94 176.45 1pf7 s ASN 137 N 1.31 6.96 0.17 3.58 2.47 -1.26 -1.34 114.94 126.84 1pf7 s ASN 137 Ca 0.01 -2.89 -0.14 0.00 0.42 0.00 0.00 52.86 50.26 1pf7 s ASN 137 Cb -0.15 -2.28 0.08 0.00 -1.45 0.00 0.00 41.25 37.45 1pf7 s ASN 137 CO -0.10 -0.61 1.83 -0.07 -3.72 0.00 0.00 177.10 174.43 1pf7 h LEU 138 N 8.27 0.57 -1.06 3.21 4.07 -1.94 -1.47 115.31 126.96 1pf7 h LEU 138 Ca 0.17 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.07 1pf7 h LEU 138 Cb 0.96 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.54 1pf7 h LEU 138 CO 0.98 0.41 0.06 -0.65 -1.08 0.00 0.00 178.44 178.16 1pf7 h PRO 139 N 0.68 0.73 -0.50 1.13 0.11 -1.83 -2.81 132.00 129.49 1pf7 h PRO 139 Ca 0.20 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1pf7 h PRO 139 Cb -0.05 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1pf7 h PRO 139 CO -0.06 0.70 0.16 0.78 -0.21 0.00 0.00 178.00 179.37 1pf7 h GLY 140 N 0.93 0.79 1.81 -0.55 0.00 -0.63 -0.11 103.07 105.32 1pf7 h GLY 140 Ca 0.15 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1pf7 h GLY 140 CO 0.01 0.39 0.11 0.74 0.00 0.00 0.00 176.54 177.79 1pf7 h PHE 141 N 0.73 0.19 0.00 5.60 0.04 -1.02 -2.93 116.94 119.55 1pf7 h PHE 141 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1pf7 h PHE 141 Cb 0.20 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1pf7 h PHE 141 CO 0.01 0.12 -1.12 0.43 -0.60 0.00 0.00 178.31 177.15 1pf7 n SER 142 N -4.51 0.59 0.00 2.17 7.64 -0.91 -4.94 113.62 113.66 1pf7 n SER 142 Ca -0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1pf7 n SER 142 Cb 0.10 0.85 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1pf7 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pf7 n GLY 143 N 1.32 0.92 2.92 0.23 0.00 -1.00 -5.04 105.19 104.54 1pf7 n GLY 143 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pf7 n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pf7 n GLN 144 N 0.00 3.17 -4.82 1.61 1.13 -0.10 -4.86 117.38 113.51 1pf7 n GLN 144 Ca 0.00 -3.05 -0.33 0.00 -1.94 0.00 0.00 57.00 51.68 1pf7 n GLN 144 Cb 0.00 -3.19 -0.16 0.00 0.11 0.00 0.00 30.24 27.01 1pf7 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1pf7 s ASN 145 N 2.58 3.51 0.55 1.08 3.84 -1.26 -1.89 114.94 123.35 1pf7 s ASN 145 Ca 0.45 -0.48 0.34 0.00 0.21 0.00 0.00 52.86 53.38 1pf7 s ASN 145 Cb 0.10 -1.51 1.85 0.00 -0.55 0.00 0.00 41.25 41.14 1pf7 s ASN 145 CO -0.03 0.13 2.04 1.55 -2.79 0.00 0.00 177.10 177.99 1pf7 h PRO 146 N 6.97 0.00 0.00 0.43 0.13 -1.89 -1.14 132.00 136.51 1pf7 h PRO 146 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1pf7 h PRO 146 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pf7 h PRO 146 CO 0.53 0.00 -0.31 1.28 -0.23 0.00 0.00 178.00 179.27 1pf7 n LEU 147 N -2.75 0.41 -4.70 1.56 4.32 -1.26 -1.04 117.00 113.53 1pf7 n LEU 147 Ca -0.02 0.26 -0.42 0.00 -0.02 0.00 0.00 56.01 55.81 1pf7 n LEU 147 Cb 0.13 -0.32 -0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1pf7 n LEU 147 CO 0.15 0.02 0.90 -1.14 -1.22 0.00 0.00 177.39 176.10 1pf7 n ARG 148 N -1.69 2.12 0.00 3.23 0.63 -0.43 -4.36 116.66 116.15 1pf7 n ARG 148 Ca 0.06 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1pf7 n ARG 148 Cb 0.37 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 30.94 1pf7 n ARG 148 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pf7 n GLY 149 N 0.77 -0.15 3.71 5.14 0.00 -1.26 0.12 105.19 113.51 1pf7 n GLY 149 Ca 0.05 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 1pf7 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pf7 s PRO 150 N -0.67 4.38 0.26 1.61 0.04 -1.26 -4.92 135.00 134.42 1pf7 s PRO 150 Ca 0.00 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 1pf7 s PRO 150 Cb 0.00 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1pf7 s PRO 150 CO 0.00 -0.36 1.10 1.21 0.04 0.00 0.00 177.00 178.99 1pf7 s ASN 151 N 1.20 7.27 -0.39 6.66 2.47 -1.26 -4.81 114.94 126.08 1pf7 s ASN 151 Ca 0.61 2.23 -0.08 0.00 0.42 0.00 0.00 52.86 56.04 1pf7 s ASN 151 Cb -0.32 -2.62 0.07 0.00 -1.45 0.00 0.00 41.25 36.93 1pf7 s ASN 151 CO 0.29 -0.16 0.19 -0.62 -3.72 0.00 0.00 177.10 173.08 1pf7 s ASP 152 N -0.70 5.48 0.32 -4.21 -1.08 -1.26 -4.93 116.67 110.29 1pf7 s ASP 152 Ca 0.46 -1.41 0.19 0.00 -0.52 0.00 0.00 52.55 51.27 1pf7 s ASP 152 Cb -0.31 -1.93 1.06 0.00 -1.46 0.00 0.00 42.92 40.28 1pf7 s ASP 152 CO 0.40 -0.45 1.57 -0.62 0.52 0.00 0.00 175.17 176.58 1pf7 n GLU 153 N 4.85 0.13 0.17 4.34 -0.58 -1.21 -0.20 120.64 128.13 1pf7 n GLU 153 Ca -0.10 0.62 0.13 0.00 -0.42 0.00 0.00 57.16 57.39 1pf7 n GLU 153 Cb 0.43 -1.99 0.47 0.00 -0.57 0.00 0.00 31.44 29.78 1pf7 n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pf7 h ARG 154 N 0.00 0.00 0.00 3.49 3.08 -2.00 -3.22 114.38 115.73 1pf7 h ARG 154 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1pf7 h ARG 154 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1pf7 h ARG 154 CO 0.00 0.00 -1.76 1.19 -1.07 0.00 0.00 179.97 178.33 1pf7 n PHE 155 N -2.54 0.00 -3.16 3.04 3.72 0.72 -5.11 117.46 114.13 1pf7 n PHE 155 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1pf7 n PHE 155 Cb 0.34 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1pf7 n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pf7 n GLY 156 N 2.84 -1.02 3.86 1.37 0.00 -0.35 -3.74 105.19 108.15 1pf7 n GLY 156 Ca -0.23 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1pf7 n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pf7 s ASP 157 N -4.00 3.00 -0.11 1.61 1.01 -1.26 -3.33 116.67 113.59 1pf7 s ASP 157 Ca 0.00 0.47 -0.28 0.00 0.71 0.00 0.00 52.55 53.46 1pf7 s ASP 157 Cb 0.00 -0.67 -0.24 0.00 1.01 0.00 0.00 42.92 43.02 1pf7 s ASP 157 CO 0.00 -2.82 0.85 -0.09 0.21 0.00 0.00 175.17 173.32 1pf7 h ARG 158 N -1.69 -0.00 -2.94 8.23 1.12 -1.95 -3.39 114.38 113.75 1pf7 h ARG 158 Ca -0.45 0.00 -0.69 0.00 -1.11 0.00 0.00 59.98 57.73 1pf7 h ARG 158 Cb 1.27 0.00 -0.36 0.00 -0.01 0.00 0.00 29.97 30.87 1pf7 h ARG 158 CO 0.44 0.86 -0.09 1.19 -3.11 0.00 0.00 179.97 179.26 1pf7 n PHE 159 N -4.67 3.66 -2.30 2.20 3.72 -1.26 -5.04 117.46 113.78 1pf7 n PHE 159 Ca -0.09 -3.87 -0.39 0.00 -0.05 0.00 0.00 57.45 53.04 1pf7 n PHE 159 Cb 0.42 -0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.96 1pf7 n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1pf7 s PRO 160 N -1.94 4.26 0.43 -1.08 0.04 -1.26 -5.00 135.00 130.45 1pf7 s PRO 160 Ca 0.31 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1pf7 s PRO 160 Cb 0.01 -2.88 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 1pf7 s PRO 160 CO -0.06 -0.16 0.98 0.00 0.04 0.00 0.00 177.00 177.80 1pf7 s ALA 161 N -1.30 3.02 0.00 8.56 0.00 -1.26 -4.96 121.76 125.83 1pf7 s ALA 161 Ca 0.52 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1pf7 s ALA 161 Cb -0.33 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1pf7 s ALA 161 CO 0.42 -0.02 0.25 -1.33 0.00 0.00 0.00 175.76 175.09 1pf7 n MET 162 N -0.50 0.30 0.32 0.00 2.81 -1.26 -4.72 117.12 114.07 1pf7 n MET 162 Ca 0.07 -0.25 0.20 0.00 -1.81 0.00 0.00 57.70 55.90 1pf7 n MET 162 Cb 0.53 -0.72 1.07 0.00 -0.71 0.00 0.00 33.22 33.39 1pf7 n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1pf7 h SER 163 N 0.00 0.00 -0.04 7.83 4.64 -2.01 -1.81 113.55 122.16 1pf7 h SER 163 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pf7 h SER 163 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1pf7 h SER 163 CO 0.00 0.01 -0.45 -0.90 -0.87 0.00 0.00 176.83 174.62 1pf7 n ASP 164 N -3.33 1.80 0.00 4.97 3.85 -1.26 -4.87 116.55 117.71 1pf7 n ASP 164 Ca -0.03 -3.89 -0.09 0.00 -0.71 0.00 0.00 54.79 50.06 1pf7 n ASP 164 Cb 0.10 -0.54 -0.04 0.00 -1.35 0.00 0.00 41.12 39.29 1pf7 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pf7 h ALA 165 N 1.00 -0.01 -1.83 2.12 0.00 -1.63 -3.38 119.26 115.52 1pf7 h ALA 165 Ca 0.03 0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.34 1pf7 h ALA 165 Cb 1.08 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1pf7 h ALA 165 CO 0.05 -0.55 0.40 0.71 0.00 0.00 0.00 179.25 179.85 1pf7 s TYR 166 N -6.17 2.83 -0.37 0.00 2.02 -1.26 -4.15 117.35 110.25 1pf7 s TYR 166 Ca -0.14 -0.40 -0.41 0.00 -0.37 0.00 0.00 57.07 55.75 1pf7 s TYR 166 Cb 0.10 -4.02 -0.18 0.00 -0.40 0.00 0.00 41.96 37.46 1pf7 s TYR 166 CO 0.68 -1.37 1.36 -3.47 -1.57 0.00 0.00 175.55 171.17 1pf7 n ASP 167 N 7.15 0.90 -0.06 2.29 4.64 0.10 -4.86 116.55 126.71 1pf7 n ASP 167 Ca -0.03 1.06 -0.12 0.00 -1.38 0.00 0.00 54.79 54.32 1pf7 n ASP 167 Cb 0.46 -0.80 -0.06 0.00 -1.04 0.00 0.00 41.12 39.68 1pf7 n ASP 167 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1pf7 h ARG 168 N 4.18 0.38 0.35 -0.67 2.43 -1.89 -0.07 114.38 119.08 1pf7 h ARG 168 Ca -0.41 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1pf7 h ARG 168 Cb 1.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1pf7 h ARG 168 CO 0.83 0.69 -0.32 1.15 -1.51 0.00 0.00 179.97 180.81 1pf7 h THR 169 N 0.06 0.33 -0.15 0.20 2.02 -1.99 0.36 112.91 113.73 1pf7 h THR 169 Ca 0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.26 1pf7 h THR 169 Cb 0.58 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1pf7 h THR 169 CO 0.03 0.00 0.13 0.24 0.37 0.00 0.00 175.52 176.29 1pf7 h MET 170 N -0.69 0.00 0.00 6.66 2.86 -1.92 0.34 114.93 122.18 1pf7 h MET 170 Ca -0.02 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 1pf7 h MET 170 Cb 0.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1pf7 h MET 170 CO -0.05 0.00 -0.77 0.00 1.06 0.00 0.00 176.91 177.15 1pf7 h ARG 171 N 0.00 0.00 0.15 1.72 3.08 0.25 -1.70 114.38 117.88 1pf7 h ARG 171 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1pf7 h ARG 171 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1pf7 h ARG 171 CO -0.00 0.77 -0.07 1.96 -1.07 0.00 0.00 179.97 181.56 1pf7 h GLN 172 N 0.00 -0.19 -0.38 0.04 7.50 0.32 -2.53 115.11 119.87 1pf7 h GLN 172 Ca -0.01 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.21 1pf7 h GLN 172 Cb 1.56 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 29.05 1pf7 h GLN 172 CO 0.10 0.25 -0.52 0.00 -1.50 0.00 0.00 178.83 177.16 1pf7 h ARG 173 N -0.87 -0.38 -0.65 1.46 -0.00 -0.63 0.23 114.38 113.53 1pf7 h ARG 173 Ca -0.02 0.03 0.13 0.00 -0.50 0.00 0.00 59.98 59.62 1pf7 h ARG 173 Cb 0.53 0.09 -0.13 0.00 0.00 0.00 0.00 29.97 30.46 1pf7 h ARG 173 CO 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 179.97 179.56 1pf7 h ALA 174 N 0.09 0.37 -0.68 0.04 0.00 -1.39 1.37 119.26 119.05 1pf7 h ALA 174 Ca 0.09 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1pf7 h ALA 174 Cb 0.60 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1pf7 h ALA 174 CO -0.58 -0.46 0.44 -0.07 0.00 0.00 0.00 179.25 178.58 1pf7 h LEU 175 N -0.03 0.74 -0.40 0.00 4.07 -0.72 0.93 115.31 119.90 1pf7 h LEU 175 Ca 0.31 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.20 1pf7 h LEU 175 Cb 0.50 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1pf7 h LEU 175 CO -0.69 0.52 0.01 0.28 -1.08 0.00 0.00 178.44 177.48 1pf7 h SER 176 N 0.87 0.69 -0.89 -0.43 0.02 0.27 -1.76 113.55 112.32 1pf7 h SER 176 Ca 0.26 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1pf7 h SER 176 Cb -0.04 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 1pf7 h SER 176 CO -0.08 0.82 0.57 0.74 -1.14 0.00 0.00 176.83 177.74 1pf7 h THR 177 N 0.54 1.14 -0.72 -2.27 2.02 0.24 0.83 112.91 114.69 1pf7 h THR 177 Ca 0.12 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1pf7 h THR 177 Cb 0.46 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1pf7 h THR 177 CO 0.02 0.20 0.22 -0.25 0.37 0.00 0.00 175.52 176.08 1pf7 h TRP 178 N 1.11 1.15 0.10 3.16 2.91 -0.56 0.81 115.95 124.63 1pf7 h TRP 178 Ca 0.36 -0.12 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 1pf7 h TRP 178 Cb 0.01 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.33 1pf7 h TRP 178 CO -0.02 0.92 -0.05 0.87 -1.03 0.00 0.00 178.44 179.13 1pf7 h LYS 179 N 1.06 -0.13 0.00 2.65 1.57 -0.36 -2.83 116.57 118.53 1pf7 h LYS 179 Ca 0.23 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1pf7 h LYS 179 Cb 0.31 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1pf7 h LYS 179 CO -0.01 0.18 -0.17 -0.56 -0.57 0.00 0.00 179.45 178.32 1pf7 h GLN 180 N -0.43 0.00 0.00 3.15 3.07 -0.77 -0.22 115.11 119.91 1pf7 h GLN 180 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1pf7 h GLN 180 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1pf7 h GLN 180 CO 0.02 0.17 0.00 0.52 0.09 0.00 0.00 178.83 179.63 1pf7 h MET 181 N 0.00 0.00 0.00 0.06 2.86 -0.73 -3.45 114.93 113.67 1pf7 h MET 181 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pf7 h MET 181 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1pf7 h MET 181 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.40 1pf7 n GLY 182 N -0.75 0.53 3.66 8.32 0.00 -0.09 -4.98 105.19 111.88 1pf7 n GLY 182 Ca -0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1pf7 n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pf7 s GLU 183 N -0.78 4.18 -0.00 1.61 0.41 -1.08 -4.92 118.70 118.11 1pf7 s GLU 183 Ca 0.00 2.04 -0.18 0.00 -0.41 0.00 0.00 54.97 56.42 1pf7 s GLU 183 Cb 0.00 -3.94 -0.10 0.00 -1.78 0.00 0.00 34.13 28.32 1pf7 s GLU 183 CO 0.00 -0.83 0.86 -0.56 -0.49 0.00 0.00 175.26 174.24 1pf7 h GLN 184 N 9.27 -0.62 -6.65 1.61 -0.00 -1.93 -3.44 115.11 113.35 1pf7 h GLN 184 Ca -0.36 0.04 -0.53 0.00 -0.00 0.00 0.00 58.65 57.80 1pf7 h GLN 184 Cb 1.16 0.14 0.06 0.00 -0.00 0.00 0.00 27.48 28.84 1pf7 h GLN 184 CO 0.96 -0.41 0.96 -2.13 -0.00 0.00 0.00 178.83 178.21 1pf7 n ARG 185 N -4.62 2.67 -2.16 0.06 0.63 -1.26 -4.91 116.66 107.06 1pf7 n ARG 185 Ca -0.08 0.96 -0.33 0.00 -0.92 0.00 0.00 57.85 57.48 1pf7 n ARG 185 Cb 0.25 -2.79 -0.00 0.00 0.45 0.00 0.00 32.46 30.37 1pf7 n ARG 185 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1pf7 s GLU 186 N 0.90 3.50 -0.29 -0.14 0.41 -1.26 -4.98 118.70 116.84 1pf7 s GLU 186 Ca 0.74 1.16 -0.29 0.00 -0.41 0.00 0.00 54.97 56.17 1pf7 s GLU 186 Cb -0.53 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1pf7 s GLU 186 CO 0.35 -0.66 1.25 -1.17 -0.49 0.00 0.00 175.26 174.54 1pf7 s LEU 187 N -4.33 3.93 0.61 1.80 2.96 -1.26 -4.83 118.68 117.57 1pf7 s LEU 187 Ca 0.63 1.24 -0.14 0.00 -0.22 0.00 0.00 54.13 55.64 1pf7 s LEU 187 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1pf7 s LEU 187 CO 0.34 -0.99 1.04 -1.10 -1.32 0.00 0.00 176.35 174.32 1pf7 s GLN 188 N 3.97 3.39 -0.00 1.98 -1.52 -0.84 -4.90 119.66 121.74 1pf7 s GLN 188 Ca 0.54 0.99 -0.01 0.00 -1.95 0.00 0.00 55.36 54.93 1pf7 s GLN 188 Cb -0.16 -2.05 -0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1pf7 s GLN 188 CO 0.20 -0.74 0.02 -2.00 -0.25 0.00 0.00 175.29 172.52 1pf7 s GLU 189 N -4.57 0.08 0.00 2.91 2.12 -1.26 0.22 118.70 118.21 1pf7 s GLU 189 Ca 0.59 -0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.67 1pf7 s GLU 189 Cb -0.13 0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.35 1pf7 s GLU 189 CO 0.44 -0.01 0.80 0.41 -0.54 0.00 0.00 175.26 176.36 1pf7 n GLY 190 N 2.80 0.42 3.70 -1.50 0.00 -0.70 -4.90 105.19 105.01 1pf7 n GLY 190 Ca -0.14 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1pf7 n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pf7 s THR 191 N -2.09 5.28 -0.23 2.61 2.01 -1.26 -0.83 115.64 121.13 1pf7 s THR 191 Ca 0.19 0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 1pf7 s THR 191 Cb -0.01 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1pf7 s THR 191 CO 0.00 0.34 0.35 -0.47 -0.69 0.00 0.00 174.62 174.15 1pf7 s TYR 192 N 0.83 3.32 -0.27 4.92 5.04 0.85 -0.15 117.35 131.89 1pf7 s TYR 192 Ca 0.16 0.48 -0.11 0.00 -2.44 0.00 0.00 57.07 55.16 1pf7 s TYR 192 Cb -0.14 -2.50 -0.05 0.00 0.35 0.00 0.00 41.96 39.62 1pf7 s TYR 192 CO 0.05 -0.08 0.21 0.54 -1.34 0.00 0.00 175.55 174.93 1pf7 s VAL 193 N 1.54 5.30 -0.05 3.14 0.11 0.15 -1.09 120.40 129.51 1pf7 s VAL 193 Ca 0.16 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.20 1pf7 s VAL 193 Cb -0.15 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1pf7 s VAL 193 CO 0.08 0.26 0.71 -0.32 -3.33 0.00 0.00 175.10 172.50 1pf7 s MET 194 N 1.63 4.44 0.02 1.54 1.75 -0.45 -2.19 119.30 126.05 1pf7 s MET 194 Ca 0.08 0.91 0.07 0.00 -1.25 0.00 0.00 55.69 55.50 1pf7 s MET 194 Cb -0.15 -3.44 -0.02 0.00 2.84 0.00 0.00 34.83 34.06 1pf7 s MET 194 CO 0.09 0.09 -0.20 0.54 -0.65 0.00 0.00 175.02 174.90 1pf7 s VAL 195 N 0.69 1.57 0.00 10.11 0.11 0.04 -3.13 120.40 129.79 1pf7 s VAL 195 Ca 0.38 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1pf7 s VAL 195 Cb -0.18 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 1pf7 s VAL 195 CO 0.19 0.26 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 1pf7 n ALA 196 N 2.11 0.00 -0.54 1.54 0.00 -1.26 -3.87 120.51 118.48 1pf7 n ALA 196 Ca -0.16 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 1pf7 n ALA 196 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1pf7 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf7 n GLY 197 N 2.47 -1.40 0.08 0.00 0.00 -1.26 -4.22 105.19 100.85 1pf7 n GLY 197 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1pf7 n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pf7 h PRO 198 N -0.01 0.00 -7.12 1.61 0.13 -1.95 -3.46 132.00 121.20 1pf7 h PRO 198 Ca -0.18 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.42 1pf7 h PRO 198 Cb 0.62 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.88 1pf7 h PRO 198 CO 0.18 0.91 0.46 -1.54 -0.23 0.00 0.00 178.00 177.78 1pf7 s SER 199 N -6.73 5.00 0.54 1.44 1.04 -1.26 -4.99 113.70 108.74 1pf7 s SER 199 Ca 0.01 2.38 -0.10 0.00 0.48 0.00 0.00 55.95 58.72 1pf7 s SER 199 Cb 0.10 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1pf7 s SER 199 CO 0.81 -1.72 0.92 -0.36 0.98 0.00 0.00 173.24 173.87 1pf7 s PHE 200 N -1.68 3.57 0.42 5.02 0.08 -1.26 -5.04 117.98 119.09 1pf7 s PHE 200 Ca 0.77 1.15 -0.26 0.00 0.12 0.00 0.00 56.93 58.71 1pf7 s PHE 200 Cb -0.30 -2.58 -0.08 0.00 -0.57 0.00 0.00 43.02 39.49 1pf7 s PHE 200 CO 0.36 -0.45 1.33 -1.21 -0.10 0.00 0.00 175.22 175.15 1pf7 s GLU 201 N -4.73 3.87 0.60 0.44 8.01 -1.26 -5.04 118.70 120.60 1pf7 s GLU 201 Ca 0.53 2.22 -0.05 0.00 0.01 0.00 0.00 54.97 57.68 1pf7 s GLU 201 Cb -0.11 -2.71 0.02 0.00 -4.31 0.00 0.00 34.13 27.02 1pf7 s GLU 201 CO 0.45 -0.59 0.90 0.95 0.01 0.00 0.00 175.26 176.98 1pf7 s THR 202 N -1.25 3.34 0.48 3.63 -4.23 -1.26 -4.86 115.64 111.49 1pf7 s THR 202 Ca 0.58 -0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.12 1pf7 s THR 202 Cb -0.39 -3.34 0.23 0.00 1.34 0.00 0.00 72.50 70.34 1pf7 s THR 202 CO 0.51 -0.34 2.08 0.58 -0.54 0.00 0.00 174.62 176.91 1pf7 h VAL 203 N -0.21 1.06 -0.18 2.29 2.07 -1.95 0.13 116.25 119.45 1pf7 h VAL 203 Ca -0.45 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1pf7 h VAL 203 Cb 1.27 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1pf7 h VAL 203 CO 0.60 0.08 -0.33 0.00 0.02 0.00 0.00 177.57 177.94 1pf7 h ALA 204 N 1.91 0.29 -0.52 1.67 0.00 -1.93 -1.32 119.26 119.34 1pf7 h ALA 204 Ca 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1pf7 h ALA 204 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1pf7 h ALA 204 CO 0.01 0.33 -0.10 0.93 0.00 0.00 0.00 179.25 180.42 1pf7 h GLU 205 N 0.20 0.97 -0.92 0.00 5.08 -1.80 -2.17 114.58 115.94 1pf7 h GLU 205 Ca 0.01 -0.34 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1pf7 h GLU 205 Cb 0.92 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 1pf7 h GLU 205 CO 0.07 1.01 0.60 0.00 -1.00 0.00 0.00 179.01 179.70 1pf7 h ARG 207 N 1.05 0.00 -0.09 0.00 3.08 -0.73 -2.46 114.38 115.24 1pf7 h ARG 207 Ca 0.40 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.26 1pf7 h ARG 207 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pf7 h ARG 207 CO -0.15 0.57 -0.74 -0.39 -1.07 0.00 0.00 179.97 178.19 1pf7 h VAL 208 N 0.00 1.36 -0.57 2.04 -1.51 -0.64 -1.32 116.25 115.61 1pf7 h VAL 208 Ca -0.01 -2.13 -0.03 0.00 -1.23 0.00 0.00 66.70 63.31 1pf7 h VAL 208 Cb 1.09 2.10 -0.03 0.00 -2.13 0.00 0.00 31.29 32.32 1pf7 h VAL 208 CO 0.07 0.64 0.23 -0.07 -1.23 0.00 0.00 177.57 177.22 1pf7 h LEU 209 N 0.31 0.78 0.00 4.19 4.07 -1.17 0.21 115.31 123.71 1pf7 h LEU 209 Ca -0.04 -0.17 -0.21 0.00 0.08 0.00 0.00 57.88 57.54 1pf7 h LEU 209 Cb 1.33 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1pf7 h LEU 209 CO 0.13 0.74 -1.02 0.06 -1.08 0.00 0.00 178.44 177.27 1pf7 h GLN 210 N 0.78 0.02 0.00 1.13 3.07 -1.41 -1.64 115.11 117.06 1pf7 h GLN 210 Ca 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.89 1pf7 h GLN 210 Cb 0.20 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1pf7 h GLN 210 CO -0.02 1.01 0.00 1.57 0.09 0.00 0.00 178.83 181.49 1pf7 h LYS 211 N 0.01 0.00 0.00 0.06 2.10 -0.99 -1.41 116.57 116.34 1pf7 h LYS 211 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1pf7 h LYS 211 Cb 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1pf7 h LYS 211 CO 0.14 0.00 -0.03 1.28 -2.00 0.00 0.00 179.45 178.84 1pf7 n LEU 212 N -2.46 0.18 0.00 7.07 4.32 0.04 -4.91 117.00 121.24 1pf7 n LEU 212 Ca 0.03 0.49 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1pf7 n LEU 212 Cb 0.35 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1pf7 n LEU 212 CO 0.26 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1pf7 n GLY 213 N 1.46 0.79 3.81 -0.72 0.00 -0.53 -5.07 105.19 104.94 1pf7 n GLY 213 Ca 0.07 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1pf7 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf7 s ALA 214 N -2.00 3.38 -0.15 4.61 0.00 -0.63 -4.65 121.76 122.32 1pf7 s ALA 214 Ca 0.00 0.21 0.15 0.00 0.00 0.00 0.00 51.96 52.32 1pf7 s ALA 214 Cb 0.00 -2.86 -0.21 0.00 0.00 0.00 0.00 23.12 20.04 1pf7 s ALA 214 CO 0.00 0.31 0.09 -0.25 0.00 0.00 0.00 175.76 175.91 1pf7 n ASP 215 N 0.64 0.91 -3.82 0.00 8.00 0.79 -4.44 116.55 118.64 1pf7 n ASP 215 Ca -0.01 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 1pf7 n ASP 215 Cb 0.51 0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 42.46 1pf7 n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pf7 s ALA 216 N -2.48 -0.17 -0.08 2.24 0.00 -1.01 -0.05 121.76 120.21 1pf7 s ALA 216 Ca -0.08 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1pf7 s ALA 216 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1pf7 s ALA 216 CO 0.68 -0.07 -0.13 0.54 0.00 0.00 0.00 175.76 176.79 1pf7 s VAL 217 N 0.36 3.12 0.29 0.00 0.11 -0.91 0.35 120.40 123.72 1pf7 s VAL 217 Ca -0.03 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1pf7 s VAL 217 Cb -0.04 -2.26 0.02 0.00 -1.53 0.00 0.00 36.38 32.57 1pf7 s VAL 217 CO -0.01 0.56 0.46 0.61 -3.33 0.00 0.00 175.10 173.39 1pf7 n GLY 218 N 2.80 1.99 0.75 6.54 0.00 -0.93 -0.91 105.19 115.42 1pf7 n GLY 218 Ca -0.18 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.43 1pf7 n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pf7 n MET 219 N -0.45 1.45 0.00 1.61 2.81 -1.25 -0.78 117.12 120.51 1pf7 n MET 219 Ca -0.02 -3.18 0.00 0.00 -1.81 0.00 0.00 57.70 52.70 1pf7 n MET 219 Cb 0.47 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1pf7 n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1pf7 n SER 220 N -0.92 0.79 0.00 7.83 3.41 -1.26 -4.48 113.62 118.99 1pf7 n SER 220 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1pf7 n SER 220 Cb 0.75 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1pf7 n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1pf7 n THR 221 N 0.00 0.00 -0.30 6.66 -1.04 -1.26 -4.42 114.28 113.92 1pf7 n THR 221 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1pf7 n THR 221 Cb 0.00 0.00 0.18 0.00 -1.82 0.00 0.00 70.33 68.69 1pf7 n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1pf7 h VAL 222 N 0.00 0.17 0.10 12.58 2.07 -1.96 0.01 116.25 129.22 1pf7 h VAL 222 Ca 0.00 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1pf7 h VAL 222 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1pf7 h VAL 222 CO 0.00 0.01 -0.05 -0.65 0.02 0.00 0.00 177.57 176.90 1pf7 h PRO 223 N 0.04 -0.12 -0.41 1.57 0.11 -1.97 -1.22 132.00 130.00 1pf7 h PRO 223 Ca 0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.64 1pf7 h PRO 223 Cb 0.84 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 1pf7 h PRO 223 CO -0.82 -0.04 0.15 0.93 -0.21 0.00 0.00 178.00 178.00 1pf7 h GLU 224 N -0.17 0.30 0.13 1.05 3.07 -1.72 -2.02 114.58 115.23 1pf7 h GLU 224 Ca -0.01 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1pf7 h GLU 224 Cb 0.14 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1pf7 h GLU 224 CO 0.02 0.20 -0.38 0.28 -1.40 0.00 0.00 179.01 177.74 1pf7 h VAL 225 N 0.31 0.22 -0.67 3.13 2.07 -0.85 0.44 116.25 120.91 1pf7 h VAL 225 Ca 0.19 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.85 1pf7 h VAL 225 Cb 0.17 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 30.04 1pf7 h VAL 225 CO -0.19 0.00 -0.16 0.40 0.02 0.00 0.00 177.57 177.64 1pf7 h ILE 226 N -0.61 0.33 0.00 4.57 2.04 -0.81 0.92 117.51 123.94 1pf7 h ILE 226 Ca 0.02 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1pf7 h ILE 226 Cb 0.64 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1pf7 h ILE 226 CO -0.21 0.00 -0.46 -0.37 0.00 0.00 0.00 178.15 177.10 1pf7 h VAL 227 N 0.01 0.93 -0.05 1.67 -1.51 -1.06 -1.32 116.25 114.93 1pf7 h VAL 227 Ca 0.33 -1.89 -0.01 0.00 -1.23 0.00 0.00 66.70 63.90 1pf7 h VAL 227 Cb 0.50 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1pf7 h VAL 227 CO -0.69 0.45 0.01 0.00 -1.23 0.00 0.00 177.57 176.11 1pf7 h ALA 228 N 1.54 0.06 -0.54 5.19 0.00 0.12 -1.39 119.26 124.24 1pf7 h ALA 228 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1pf7 h ALA 228 Cb 1.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1pf7 h ALA 228 CO 0.06 -0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.16 1pf7 h ARG 229 N -0.18 0.83 -0.72 0.00 2.47 -0.87 -1.02 114.38 114.88 1pf7 h ARG 229 Ca 0.01 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 1pf7 h ARG 229 Cb 0.29 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 1pf7 h ARG 229 CO 0.00 0.74 0.41 1.25 0.56 0.00 0.00 179.97 182.92 1pf7 h HIS 230 N 0.80 0.97 0.00 3.04 2.76 -1.01 -0.79 115.15 120.93 1pf7 h HIS 230 Ca 0.18 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1pf7 h HIS 230 Cb 0.27 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1pf7 h HIS 230 CO 0.02 0.67 0.00 0.00 -1.30 0.00 0.00 177.93 177.31 1pf7 n GLY 232 N 0.30 0.67 3.76 0.00 0.00 -0.30 -4.96 105.19 104.65 1pf7 n GLY 232 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1pf7 n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pf7 s LEU 233 N 0.00 3.65 -0.15 0.99 1.43 -0.60 -4.95 118.68 119.05 1pf7 s LEU 233 Ca 0.00 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1pf7 s LEU 233 Cb 0.00 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1pf7 s LEU 233 CO 0.00 -1.56 1.13 -0.60 0.23 0.00 0.00 176.35 175.55 1pf7 s ARG 234 N -3.39 4.30 0.04 1.70 3.52 0.86 -4.40 118.95 121.58 1pf7 s ARG 234 Ca 0.76 1.51 0.09 0.00 -0.13 0.00 0.00 55.73 57.96 1pf7 s ARG 234 Cb -0.28 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 1pf7 s ARG 234 CO 0.33 -0.55 -0.26 0.08 -0.81 0.00 0.00 175.30 174.08 1pf7 s VAL 235 N 2.86 2.13 -0.02 7.11 1.01 -1.26 -0.09 120.40 132.14 1pf7 s VAL 235 Ca 0.50 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 1pf7 s VAL 235 Cb -0.19 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.46 1pf7 s VAL 235 CO 0.14 0.39 0.77 0.72 0.00 0.00 0.00 175.10 177.12 1pf7 s PHE 236 N -0.79 -0.51 0.27 5.22 -0.12 -1.08 0.02 117.98 120.98 1pf7 s PHE 236 Ca 0.12 0.68 -0.21 0.00 -0.05 0.00 0.00 56.93 57.47 1pf7 s PHE 236 Cb -0.10 0.47 0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1pf7 s PHE 236 CO 0.02 -0.59 0.84 0.20 -0.05 0.00 0.00 175.22 175.64 1pf7 s GLY 237 N -1.73 0.04 0.17 1.99 0.00 -1.26 -2.17 107.32 104.35 1pf7 s GLY 237 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.41 1pf7 s GLY 237 CO -0.00 0.21 -0.13 -1.36 0.00 0.00 0.00 173.10 171.81 1pf7 s PHE 238 N -3.08 1.51 -0.08 1.90 0.08 -0.15 -0.95 117.98 117.21 1pf7 s PHE 238 Ca 0.14 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.57 1pf7 s PHE 238 Cb -0.04 -0.74 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1pf7 s PHE 238 CO 0.07 0.22 -0.08 0.45 -0.10 0.00 0.00 175.22 175.78 1pf7 s SER 239 N -3.06 1.83 -0.35 1.36 0.15 0.12 -2.21 113.70 111.55 1pf7 s SER 239 Ca 0.17 -0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.37 1pf7 s SER 239 Cb -0.01 -0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1pf7 s SER 239 CO 0.04 -0.07 0.56 -0.22 1.20 0.00 0.00 173.24 174.76 1pf7 s LEU 240 N 1.27 4.29 -0.41 3.45 2.96 0.10 -0.40 118.68 129.94 1pf7 s LEU 240 Ca -0.04 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.67 1pf7 s LEU 240 Cb -0.14 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1pf7 s LEU 240 CO -0.03 -0.51 1.58 -0.63 -1.32 0.00 0.00 176.35 175.44 1pf7 s ILE 241 N 2.51 3.70 -0.09 6.68 -1.09 0.40 -0.78 121.20 132.53 1pf7 s ILE 241 Ca 0.21 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.35 1pf7 s ILE 241 Cb -0.15 -4.01 -0.25 0.00 -1.58 0.00 0.00 42.46 36.47 1pf7 s ILE 241 CO 0.14 -0.69 0.49 0.35 -1.23 0.00 0.00 174.94 174.00 1pf7 n THR 242 N 7.19 1.69 -4.17 2.92 -2.24 0.08 0.22 114.28 119.97 1pf7 n THR 242 Ca 0.19 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1pf7 n THR 242 Cb 0.48 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 67.25 1pf7 n THR 242 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pf7 s ASN 243 N -6.54 0.15 0.27 3.42 4.22 -1.24 -4.58 114.94 110.64 1pf7 s ASN 243 Ca -0.14 -1.33 0.10 0.00 -2.14 0.00 0.00 52.86 49.35 1pf7 s ASN 243 Cb 0.07 0.42 -0.04 0.00 1.28 0.00 0.00 41.25 42.97 1pf7 s ASN 243 CO 0.79 -0.89 -0.02 -0.54 -2.04 0.00 0.00 177.10 174.40 1pf7 s LYS 244 N -4.12 2.23 0.24 3.55 1.02 -1.26 -0.17 119.74 121.23 1pf7 s LYS 244 Ca 0.37 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.80 1pf7 s LYS 244 Cb 0.06 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1pf7 s LYS 244 CO 0.12 0.35 0.40 0.14 -0.92 0.00 0.00 175.35 175.45 1pf7 s VAL 245 N -2.35 0.00 0.00 3.17 -7.23 -0.73 -4.76 120.40 108.50 1pf7 s VAL 245 Ca 0.31 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1pf7 s VAL 245 Cb -0.06 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1pf7 s VAL 245 CO 0.19 0.00 0.00 2.30 -0.31 0.00 0.00 175.10 177.28 1pf7 n ILE 246 N -0.37 0.00 -3.79 -0.62 -6.64 -1.26 -4.78 119.36 101.90 1pf7 n ILE 246 Ca -0.01 0.00 -0.24 0.00 -1.77 0.00 0.00 62.75 60.73 1pf7 n ILE 246 Cb 0.63 -0.02 -0.17 0.00 -1.44 0.00 0.00 39.64 38.63 1pf7 n ILE 246 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 1pf7 s MET 247 N -0.22 0.79 -0.04 6.28 1.75 -1.26 -4.79 119.30 121.81 1pf7 s MET 247 Ca 0.00 -0.05 0.18 0.00 -1.25 0.00 0.00 55.69 54.56 1pf7 s MET 247 Cb 0.00 -1.29 0.58 0.00 2.84 0.00 0.00 34.83 36.97 1pf7 s MET 247 CO 0.00 -0.35 1.48 -0.40 -0.65 0.00 0.00 175.02 175.10 1pf7 n ASP 248 N 5.09 3.69 -0.21 1.11 5.68 -1.26 -3.20 116.55 127.45 1pf7 n ASP 248 Ca -0.08 -2.16 0.08 0.00 -0.50 0.00 0.00 54.79 52.13 1pf7 n ASP 248 Cb 0.49 -0.47 0.35 0.00 -1.14 0.00 0.00 41.12 40.36 1pf7 n ASP 248 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1pf7 h TYR 249 N 3.61 0.79 -0.59 2.11 -0.00 -2.04 -3.36 116.97 117.50 1pf7 h TYR 249 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 58.73 58.65 1pf7 h TYR 249 Cb 1.02 -0.26 -0.15 0.00 0.00 0.00 0.00 36.73 37.34 1pf7 h TYR 249 CO 0.52 0.39 -0.34 0.39 -0.00 0.00 0.00 178.16 179.12 1pf7 n GLU 250 N -4.50 0.39 -0.88 0.10 -0.58 -1.26 -5.08 120.64 108.84 1pf7 n GLU 250 Ca 0.12 -1.52 -0.13 0.00 -0.42 0.00 0.00 57.16 55.21 1pf7 n GLU 250 Cb 0.29 -0.86 -0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1pf7 n GLU 250 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pf7 n SER 251 N 2.63 6.08 0.00 1.62 3.41 -1.19 -4.75 113.62 121.42 1pf7 n SER 251 Ca 0.14 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1pf7 n SER 251 Cb 0.60 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1pf7 n SER 251 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pf7 n LEU 252 N 0.89 0.00 -4.76 1.04 -0.00 -1.26 -4.79 117.00 108.13 1pf7 n LEU 252 Ca 0.26 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.87 1pf7 n LEU 252 Cb 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.03 1pf7 n LEU 252 CO 0.25 0.00 1.05 1.21 -0.00 0.00 0.00 177.39 179.90 1pf7 n GLU 253 N 0.00 2.14 -0.85 1.96 0.00 -1.26 -4.92 120.64 117.71 1pf7 n GLU 253 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 57.16 57.98 1pf7 n GLU 253 Cb 0.00 -2.61 0.10 0.00 0.00 0.00 0.00 31.44 28.93 1pf7 n GLU 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pf7 n LYS 254 N -0.34 0.75 -2.72 5.31 4.01 -1.26 -4.98 118.16 118.94 1pf7 n LYS 254 Ca 0.06 -2.43 -0.11 0.00 -0.51 0.00 0.00 58.31 55.32 1pf7 n LYS 254 Cb 0.42 -0.86 -0.01 0.00 -0.51 0.00 0.00 35.03 34.07 1pf7 n LYS 254 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pf7 n ALA 255 N -0.42 -0.93 -1.39 7.82 0.00 -1.26 -4.70 120.51 119.63 1pf7 n ALA 255 Ca 0.11 0.05 -0.51 0.00 0.00 0.00 0.00 53.44 53.09 1pf7 n ALA 255 Cb 0.85 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1pf7 n ALA 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pf7 n ASN 256 N -1.81 -0.64 0.01 0.00 2.85 -1.26 -4.59 115.26 109.82 1pf7 n ASN 256 Ca -0.06 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.51 1pf7 n ASN 256 Cb 0.55 -0.90 0.00 0.00 1.24 0.00 0.00 39.78 40.67 1pf7 n ASN 256 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pf7 n HIS 257 N 0.68 0.00 0.21 1.20 1.44 -1.26 -3.16 115.22 114.33 1pf7 n HIS 257 Ca 0.18 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.92 1pf7 n HIS 257 Cb 0.16 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.45 1pf7 n HIS 257 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1pf7 h GLU 258 N 0.00 0.00 0.00 -1.40 3.07 -1.92 0.70 114.58 115.03 1pf7 h GLU 258 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pf7 h GLU 258 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1pf7 h GLU 258 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1pf7 n GLU 259 N -2.09 0.12 0.16 2.33 4.71 -1.19 -0.25 120.64 124.43 1pf7 n GLU 259 Ca -0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1pf7 n GLU 259 Cb 0.65 -1.13 0.52 0.00 -1.01 0.00 0.00 31.44 30.47 1pf7 n GLU 259 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1pf7 h VAL 260 N 0.00 0.00 -0.75 2.62 3.04 0.10 -1.50 116.25 119.76 1pf7 h VAL 260 Ca 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1pf7 h VAL 260 Cb 0.00 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 1pf7 h VAL 260 CO 0.00 0.00 0.34 0.17 -1.01 0.00 0.00 177.57 177.07 1pf7 h LEU 261 N 0.00 1.00 -1.07 3.16 -0.00 -0.88 0.79 115.31 118.31 1pf7 h LEU 261 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1pf7 h LEU 261 Cb 0.42 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1pf7 h LEU 261 CO 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 178.44 179.31 1pf7 h ALA 262 N 1.17 1.00 0.00 0.17 0.00 -1.52 0.10 119.26 120.19 1pf7 h ALA 262 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1pf7 h ALA 262 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pf7 h ALA 262 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1pf7 h ALA 263 N 2.12 1.00 -0.40 0.00 0.00 -0.61 0.41 119.26 121.78 1pf7 h ALA 263 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1pf7 h ALA 263 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1pf7 h ALA 263 CO 0.00 0.00 0.03 0.41 0.00 0.00 0.00 179.25 179.69 1pf7 n GLY 264 N 0.30 3.88 0.00 0.00 0.00 0.34 -4.38 105.19 105.33 1pf7 n GLY 264 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1pf7 n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pf7 n LYS 265 N -0.31 2.35 -0.32 1.61 4.01 0.14 -5.02 118.16 120.62 1pf7 n LYS 265 Ca 0.27 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 58.12 1pf7 n LYS 265 Cb 1.04 0.00 0.24 0.00 -0.51 0.00 0.00 35.03 35.80 1pf7 n LYS 265 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1pf7 h GLN 266 N 0.00 1.00 -0.28 1.97 4.20 -1.93 -0.66 115.11 119.41 1pf7 h GLN 266 Ca 0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1pf7 h GLN 266 Cb 0.00 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1pf7 h GLN 266 CO 0.00 0.66 0.08 0.00 -0.67 0.00 0.00 178.83 178.90 1pf7 h ALA 267 N 1.51 0.36 0.39 3.87 0.00 -1.90 0.43 119.26 123.93 1pf7 h ALA 267 Ca 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1pf7 h ALA 267 Cb 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pf7 h ALA 267 CO -0.18 0.01 -0.21 0.00 0.00 0.00 0.00 179.25 178.87 1pf7 h ALA 268 N 0.91 -0.56 -0.78 0.00 0.00 -1.57 -1.50 119.26 115.77 1pf7 h ALA 268 Ca 0.09 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1pf7 h ALA 268 Cb 0.26 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1pf7 h ALA 268 CO -0.00 -0.82 0.26 1.96 0.00 0.00 0.00 179.25 180.65 1pf7 h GLN 269 N -0.56 0.33 -0.48 0.00 4.20 -0.84 0.28 115.11 118.05 1pf7 h GLN 269 Ca -0.05 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1pf7 h GLN 269 Cb 0.45 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1pf7 h GLN 269 CO 0.07 0.22 0.02 -0.22 -0.67 0.00 0.00 178.83 178.24 1pf7 h LYS 270 N 0.34 0.79 -0.40 1.46 1.63 0.34 -0.57 116.57 120.17 1pf7 h LYS 270 Ca 0.45 -0.20 -0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1pf7 h LYS 270 Cb 0.77 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1pf7 h LYS 270 CO -0.49 0.79 -0.16 1.25 -3.45 0.00 0.00 179.45 177.39 1pf7 h LEU 271 N 0.74 0.83 -1.18 5.20 6.46 0.01 -0.21 115.31 127.16 1pf7 h LEU 271 Ca 0.15 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1pf7 h LEU 271 Cb 0.43 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1pf7 h LEU 271 CO 0.02 1.03 0.55 -0.33 -0.62 0.00 0.00 178.44 179.09 1pf7 h GLU 272 N 0.62 1.09 -0.08 1.25 5.08 -0.47 0.14 114.58 122.22 1pf7 h GLU 272 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1pf7 h GLU 272 Cb 0.70 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pf7 h GLU 272 CO 0.05 0.72 -0.12 0.37 -1.00 0.00 0.00 179.01 179.03 1pf7 h GLN 273 N 1.12 0.22 -0.30 2.33 4.15 -0.96 -1.61 115.11 120.07 1pf7 h GLN 273 Ca 0.30 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.63 1pf7 h GLN 273 Cb -0.13 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1pf7 h GLN 273 CO -0.07 0.70 0.08 0.35 -1.93 0.00 0.00 178.83 177.97 1pf7 h PHE 274 N -0.24 0.14 -0.80 3.99 3.57 -0.57 0.90 116.94 123.93 1pf7 h PHE 274 Ca 0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1pf7 h PHE 274 Cb 0.68 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1pf7 h PHE 274 CO 0.10 0.05 0.50 0.28 -2.23 0.00 0.00 178.31 177.02 1pf7 h VAL 275 N 0.20 1.07 -0.50 1.41 2.07 -0.74 -0.04 116.25 119.72 1pf7 h VAL 275 Ca 0.14 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1pf7 h VAL 275 Cb 0.13 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1pf7 h VAL 275 CO -0.16 0.17 0.10 -1.28 0.02 0.00 0.00 177.57 176.42 1pf7 h SER 276 N 0.94 0.79 -0.39 0.57 0.87 -0.51 -2.60 113.55 113.22 1pf7 h SER 276 Ca 0.34 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1pf7 h SER 276 Cb 0.10 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1pf7 h SER 276 CO -0.15 0.83 0.04 0.40 -0.53 0.00 0.00 176.83 177.43 1pf7 h ILE 277 N 0.71 1.23 0.00 2.23 2.04 -0.19 -2.31 117.51 121.22 1pf7 h ILE 277 Ca 0.16 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1pf7 h ILE 277 Cb 0.37 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1pf7 h ILE 277 CO 0.01 0.32 0.00 0.18 0.00 0.00 0.00 178.15 178.66 1pf7 n LEU 278 N -4.25 0.00 -0.12 1.44 4.77 -0.09 -2.25 117.00 116.50 1pf7 n LEU 278 Ca 0.03 0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 1pf7 n LEU 278 Cb 0.27 -0.43 0.19 0.00 -2.33 0.00 0.00 43.42 41.12 1pf7 n LEU 278 CO 0.40 -0.32 0.97 0.24 -1.33 0.00 0.00 177.39 177.35 1pf7 h MET 279 N 0.00 0.82 0.00 3.23 2.86 -1.34 -1.88 114.93 118.61 1pf7 h MET 279 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1pf7 h MET 279 Cb 0.11 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1pf7 h MET 279 CO 0.00 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.71 1pf7 h ALA 280 N 1.34 1.00 -0.01 6.32 0.00 -1.59 -0.55 119.26 125.77 1pf7 h ALA 280 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pf7 h ALA 280 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pf7 h ALA 280 CO 0.00 0.00 -0.72 0.43 0.00 0.00 0.00 179.25 178.96 1pf7 n SER 281 N -2.66 1.23 -4.57 0.00 7.64 -0.72 -4.84 113.62 109.70 1pf7 n SER 281 Ca -0.02 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 1pf7 n SER 281 Cb 0.08 0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 63.91 1pf7 n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pf7 s ILE 282 N -2.81 4.72 0.10 0.44 1.01 -0.22 -4.96 121.20 119.48 1pf7 s ILE 282 Ca 0.13 0.74 -0.36 0.00 0.00 0.00 0.00 60.65 61.16 1pf7 s ILE 282 Cb 0.17 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 38.24 1pf7 s ILE 282 CO 0.73 -0.50 1.13 -2.65 0.00 0.00 0.00 174.94 173.65 1pf7 n PRO 283 N 6.48 0.72 -2.26 2.79 -0.02 -1.26 -4.93 135.00 136.51 1pf7 n PRO 283 Ca 0.02 0.26 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 1pf7 n PRO 283 Cb 0.48 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1pf7 n PRO 283 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pf7 s LEU 284 N 0.64 3.67 0.48 2.45 1.43 -1.26 -4.91 118.68 121.18 1pf7 s LEU 284 Ca 0.81 1.94 0.31 0.00 -1.03 0.00 0.00 54.13 56.16 1pf7 s LEU 284 Cb -1.01 -4.55 1.29 0.00 0.03 0.00 0.00 46.19 41.95 1pf7 s LEU 284 CO 0.52 -1.05 1.93 -0.65 0.23 0.00 0.00 176.35 177.33 1pf7 h PRO 285 N 0.99 0.00 -1.13 1.29 0.11 -2.00 -3.27 132.00 128.00 1pf7 h PRO 285 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pf7 h PRO 285 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pf7 h PRO 285 CO 0.58 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 1pf7 n ASP 286 N -2.89 0.90 0.00 -2.05 8.00 -1.26 -4.70 116.55 114.55 1pf7 n ASP 286 Ca 0.01 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1pf7 n ASP 286 Cb 0.29 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1pf7 n ASP 286 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pf7 n LYS 287 N 0.60 0.00 -2.14 -1.24 3.00 -1.23 -4.70 118.16 112.44 1pf7 n LYS 287 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pf7 n LYS 287 Cb 0.16 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1pf7 n LYS 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pf7 n ALA 288 N 0.21 -0.66 -1.52 3.14 0.00 -1.26 -4.92 120.51 115.50 1pf7 n ALA 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pf7 n ALA 288 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pf7 n ALA 288 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37