#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pgm s LYS 2 N 0.00 2.89 -0.06 0.54 2.20 -1.26 0.68 119.74 124.73 5pgm s LYS 2 Ca 0.00 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 54.85 5pgm s LYS 2 Cb 0.00 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 5pgm s LYS 2 CO 0.00 0.03 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.65 5pgm s LEU 3 N 0.72 2.38 -0.14 5.43 2.96 0.02 -1.59 118.68 128.47 5pgm s LEU 3 Ca -0.10 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 5pgm s LEU 3 Cb -0.16 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.09 5pgm s LEU 3 CO 0.01 0.29 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 5pgm s VAL 4 N -0.39 1.60 -0.10 1.68 1.01 0.16 -0.73 120.40 123.63 5pgm s VAL 4 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 5pgm s VAL 4 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 5pgm s VAL 4 CO 0.02 0.46 0.06 -0.76 0.00 0.00 0.00 175.10 174.88 5pgm s LEU 5 N 1.27 3.92 -0.14 3.92 1.43 0.05 -0.28 118.68 128.85 5pgm s LEU 5 Ca 0.00 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 5pgm s LEU 5 Cb -0.14 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.19 5pgm s LEU 5 CO -0.07 0.39 0.04 -0.69 0.23 0.00 0.00 176.35 176.25 5pgm s VAL 6 N -0.95 0.27 -0.09 -1.59 1.01 -0.31 -0.87 120.40 117.86 5pgm s VAL 6 Ca 0.14 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 5pgm s VAL 6 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 5pgm s VAL 6 CO 0.03 -0.06 0.64 -0.60 0.00 0.00 0.00 175.10 175.11 5pgm s ARG 7 N 1.99 4.40 0.68 2.72 3.52 -1.26 -2.27 118.95 128.73 5pgm s ARG 7 Ca 0.02 0.75 -0.15 0.00 -0.13 0.00 0.00 55.73 56.22 5pgm s ARG 7 Cb -0.15 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 5pgm s ARG 7 CO -0.07 0.07 1.15 -3.38 -0.81 0.00 0.00 175.30 172.26 5pgm s HIS 8 N 0.83 2.39 0.46 5.12 -3.43 -1.24 -0.43 115.29 119.00 5pgm s HIS 8 Ca 0.34 1.57 -0.08 0.00 -0.80 0.00 0.00 55.06 56.09 5pgm s HIS 8 Cb -0.17 -3.29 0.11 0.00 -1.43 0.00 0.00 32.58 27.80 5pgm s HIS 8 CO 0.15 -2.04 0.48 0.41 -2.00 0.00 0.00 174.74 171.74 5pgm n GLY 9 N -0.14 -2.11 3.77 -1.38 0.00 -1.26 -4.36 105.19 99.71 5pgm n GLY 9 Ca 0.12 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 5pgm n GLY 9 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 5pgm s GLN 10 N -4.07 2.97 0.57 1.61 -2.07 -1.26 -4.86 119.66 112.56 5pgm s GLN 10 Ca 0.29 1.48 0.07 0.00 -1.82 0.00 0.00 55.36 55.38 5pgm s GLN 10 Cb -0.02 -1.97 0.08 0.00 -1.09 0.00 0.00 33.01 30.01 5pgm s GLN 10 CO 0.22 -1.13 0.79 -1.54 -1.32 0.00 0.00 175.29 172.31 5pgm s SER 11 N -2.29 5.06 0.50 12.60 1.04 -1.26 -1.42 113.70 127.93 5pgm s SER 11 Ca 0.69 -0.62 0.25 0.00 0.48 0.00 0.00 55.95 56.75 5pgm s SER 11 Cb -0.22 -0.01 1.30 0.00 0.10 0.00 0.00 66.02 67.19 5pgm s SER 11 CO 0.37 -1.33 2.02 -0.33 0.98 0.00 0.00 173.24 174.95 5pgm h GLU 12 N 0.11 0.00 0.09 4.02 5.08 -1.41 -2.33 114.58 120.14 5pgm h GLU 12 Ca -0.34 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.73 5pgm h GLU 12 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 5pgm h GLU 12 CO 0.42 0.15 -1.49 -1.49 -1.00 0.00 0.00 179.01 175.60 5pgm h TRP 13 N 0.00 0.35 -0.76 4.33 4.06 -1.90 -3.15 115.95 118.88 5pgm h TRP 13 Ca -0.00 -0.25 -0.03 0.00 2.06 0.00 0.00 58.89 60.67 5pgm h TRP 13 Cb 0.39 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 5pgm h TRP 13 CO 0.00 1.30 0.36 -0.97 -3.56 0.00 0.00 178.44 175.57 5pgm h ASN 14 N 0.05 1.01 -0.90 -3.49 -0.73 -1.66 -0.92 115.58 108.93 5pgm h ASN 14 Ca -0.22 -0.14 0.06 0.00 1.87 0.00 0.00 56.30 57.87 5pgm h ASN 14 Cb 1.98 -0.26 -0.06 0.00 0.27 0.00 0.00 38.32 40.26 5pgm h ASN 14 CO 0.15 0.86 0.59 -0.33 -0.37 0.00 0.00 177.43 178.33 5pgm h GLU 15 N 1.08 1.00 -0.52 6.67 5.08 -1.52 -1.84 114.58 124.54 5pgm h GLU 15 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 5pgm h GLU 15 Cb 0.13 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.15 5pgm h GLU 15 CO -0.03 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 5pgm n LYS 16 N -4.49 2.32 -3.53 2.33 5.02 -1.03 -4.98 118.16 113.79 5pgm n LYS 16 Ca 0.14 -1.78 -0.21 0.00 -2.02 0.00 0.00 58.31 54.43 5pgm n LYS 16 Cb 0.19 -1.46 0.08 0.00 -0.02 0.00 0.00 35.03 33.82 5pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 5pgm n ASN 17 N 0.85 -4.04 -4.37 4.39 4.05 -0.69 -4.93 115.26 110.51 5pgm n ASN 17 Ca 0.16 -0.60 -0.32 0.00 0.45 0.00 0.00 54.58 54.28 5pgm n ASN 17 Cb 0.47 -5.00 -0.15 0.00 1.23 0.00 0.00 39.78 36.33 5pgm n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 5pgm s LEU 18 N -6.83 2.34 0.01 1.20 1.43 -0.41 -0.85 118.68 115.57 5pgm s LEU 18 Ca 0.29 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 5pgm s LEU 18 Cb -0.13 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 5pgm s LEU 18 CO 0.74 0.31 1.41 -0.36 0.23 0.00 0.00 176.35 178.67 5pgm s PHE 19 N -0.54 2.85 -0.09 0.29 0.08 -0.43 -4.37 117.98 115.77 5pgm s PHE 19 Ca 0.07 0.81 -0.07 0.00 0.12 0.00 0.00 56.93 57.87 5pgm s PHE 19 Cb -0.11 -3.67 -0.02 0.00 -0.57 0.00 0.00 43.02 38.65 5pgm s PHE 19 CO 0.01 -2.48 -0.13 2.41 -0.10 0.00 0.00 175.22 174.93 5pgm n THR 20 N 4.64 0.89 0.00 0.64 -1.04 -1.26 0.47 114.28 118.62 5pgm n THR 20 Ca 0.13 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 5pgm n THR 20 Cb 0.44 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 5pgm n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5pgm n GLY 21 N 1.64 3.14 0.29 3.41 0.00 -1.26 -2.07 105.19 110.34 5pgm n GLY 21 Ca -0.05 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.94 5pgm n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 5pgm n TRP 22 N 13.37 0.00 -1.82 1.61 7.02 -1.26 -4.73 117.44 131.62 5pgm n TRP 22 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 5pgm n TRP 22 Cb 0.00 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 5pgm n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 5pgm s VAL 23 N -2.34 2.33 -1.43 -0.99 1.01 -0.88 -4.84 120.40 113.27 5pgm s VAL 23 Ca 0.30 0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 5pgm s VAL 23 Cb 0.20 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.50 5pgm s VAL 23 CO 0.45 0.02 2.20 -0.67 0.00 0.00 0.00 175.10 177.10 5pgm n ASP 24 N 4.09 4.46 -4.75 3.32 2.03 -1.26 -4.95 116.55 119.48 5pgm n ASP 24 Ca 0.15 -2.89 -0.40 0.00 0.52 0.00 0.00 54.79 52.17 5pgm n ASP 24 Cb 0.37 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 5pgm n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 5pgm s VAL 25 N 2.50 4.23 0.34 5.18 1.01 -1.26 -4.87 120.40 127.52 5pgm s VAL 25 Ca 0.47 2.01 -0.28 0.00 0.00 0.00 0.00 61.98 64.18 5pgm s VAL 25 Cb 0.13 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 5pgm s VAL 25 CO -0.07 0.46 1.23 -0.75 0.00 0.00 0.00 175.10 175.97 5pgm s LYS 26 N -0.89 4.33 0.59 2.72 2.20 -1.26 -3.89 119.74 123.53 5pgm s LYS 26 Ca 0.41 2.03 -0.20 0.00 -0.36 0.00 0.00 55.97 57.85 5pgm s LYS 26 Cb -0.25 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 5pgm s LYS 26 CO 0.30 -0.15 1.34 -1.17 -0.36 0.00 0.00 175.35 175.32 5pgm s LEU 27 N -1.92 3.74 0.70 5.43 2.96 -1.26 -1.26 118.68 127.06 5pgm s LEU 27 Ca 0.50 2.73 -0.07 0.00 -0.22 0.00 0.00 54.13 57.07 5pgm s LEU 27 Cb -0.36 -4.41 0.05 0.00 0.50 0.00 0.00 46.19 41.98 5pgm s LEU 27 CO 0.47 -1.76 1.01 -0.94 -1.32 0.00 0.00 176.35 173.80 5pgm s SER 28 N -1.11 4.91 0.33 3.68 1.04 -0.50 -4.52 113.70 117.53 5pgm s SER 28 Ca 0.76 0.52 0.02 0.00 0.48 0.00 0.00 55.95 57.73 5pgm s SER 28 Cb -0.40 -1.21 0.57 0.00 0.10 0.00 0.00 66.02 65.09 5pgm s SER 28 CO 0.45 -1.54 1.94 0.00 0.98 0.00 0.00 173.24 175.07 5pgm h ALA 29 N -0.57 1.44 -0.01 5.32 0.00 -1.95 0.26 119.26 123.75 5pgm h ALA 29 Ca -0.45 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 5pgm h ALA 29 Cb 1.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 5pgm h ALA 29 CO 0.61 0.45 -0.64 -0.22 0.00 0.00 0.00 179.25 179.45 5pgm h LYS 30 N 0.79 0.04 -0.62 0.00 3.64 -1.93 -2.76 116.57 115.73 5pgm h LYS 30 Ca 0.20 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 5pgm h LYS 30 Cb 0.07 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 5pgm h LYS 30 CO -0.03 0.66 0.09 0.78 -2.27 0.00 0.00 179.45 178.68 5pgm h GLY 31 N 1.83 1.11 1.56 5.01 0.00 -0.83 -1.88 103.07 109.87 5pgm h GLY 31 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 5pgm h GLY 31 CO 0.09 0.68 -0.06 1.46 0.00 0.00 0.00 176.54 178.71 5pgm h GLN 32 N 0.96 0.54 -0.37 4.80 4.20 -0.43 -2.24 115.11 122.58 5pgm h GLN 32 Ca 0.19 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 5pgm h GLN 32 Cb 0.43 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 5pgm h GLN 32 CO 0.01 0.61 -0.30 1.96 -0.67 0.00 0.00 178.83 180.44 5pgm h GLN 33 N 0.51 0.81 -0.66 1.46 4.20 -1.20 -2.33 115.11 117.91 5pgm h GLN 33 Ca 0.10 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 5pgm h GLN 33 Cb 0.42 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 5pgm h GLN 33 CO 0.02 1.00 0.14 0.93 -0.67 0.00 0.00 178.83 180.26 5pgm h GLU 34 N 0.69 1.07 -0.13 1.46 5.08 -1.07 -0.56 114.58 121.11 5pgm h GLU 34 Ca 0.08 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 5pgm h GLU 34 Cb 0.84 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 5pgm h GLU 34 CO 0.07 0.97 -0.16 0.00 -1.00 0.00 0.00 179.01 178.89 5pgm h ALA 35 N 1.06 -0.08 -0.36 3.43 0.00 -1.27 0.49 119.26 122.54 5pgm h ALA 35 Ca 0.20 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 5pgm h ALA 35 Cb 0.39 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 5pgm h ALA 35 CO 0.01 -0.61 0.20 0.00 0.00 0.00 0.00 179.25 178.85 5pgm h ALA 36 N 0.86 0.44 -0.85 0.00 0.00 -1.27 -0.59 119.26 117.85 5pgm h ALA 36 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 5pgm h ALA 36 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 5pgm h ALA 36 CO -0.25 -0.16 0.45 -0.09 0.00 0.00 0.00 179.25 179.21 5pgm h ARG 37 N 0.41 1.19 -0.61 0.00 9.65 -0.43 -0.94 114.38 123.64 5pgm h ARG 37 Ca 0.14 -0.15 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 5pgm h ARG 37 Cb 0.02 -0.23 -0.04 0.00 -1.39 0.00 0.00 29.97 28.33 5pgm h ARG 37 CO -0.08 0.88 0.37 0.00 2.80 0.00 0.00 179.97 183.95 5pgm h ALA 38 N 1.30 0.80 -0.57 2.80 0.00 0.12 -2.19 119.26 121.52 5pgm h ALA 38 Ca 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 5pgm h ALA 38 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 5pgm h ALA 38 CO -0.05 0.10 0.18 0.78 0.00 0.00 0.00 179.25 180.26 5pgm h GLY 39 N 0.72 0.95 1.72 0.00 0.00 -0.32 -2.22 103.07 103.93 5pgm h GLY 39 Ca 0.25 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 5pgm h GLY 39 CO -0.11 0.53 0.09 0.83 0.00 0.00 0.00 176.54 177.88 5pgm h GLU 40 N 0.80 0.36 -0.27 4.80 4.39 -0.95 -2.18 114.58 121.53 5pgm h GLU 40 Ca 0.18 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 5pgm h GLU 40 Cb 0.29 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 5pgm h GLU 40 CO -0.01 0.32 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.81 5pgm h LEU 41 N 0.37 0.72 -0.01 1.33 4.07 -1.07 0.13 115.31 120.84 5pgm h LEU 41 Ca 0.09 -0.48 0.01 0.00 0.08 0.00 0.00 57.88 57.59 5pgm h LEU 41 Cb 0.10 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 5pgm h LEU 41 CO -0.01 1.05 -0.06 -0.07 -1.08 0.00 0.00 178.44 178.27 5pgm h LEU 42 N 0.41 -0.18 0.59 1.67 3.38 -1.06 0.18 115.31 120.29 5pgm h LEU 42 Ca 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 5pgm h LEU 42 Cb 0.85 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.69 5pgm h LEU 42 CO 0.07 -0.09 -0.28 0.50 0.09 0.00 0.00 178.44 178.72 5pgm h LYS 43 N -0.10 -0.76 -0.81 1.13 3.64 -1.34 -1.12 116.57 117.20 5pgm h LYS 43 Ca 0.03 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 5pgm h LYS 43 Cb 0.15 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 5pgm h LYS 43 CO -0.08 -0.49 0.46 1.49 -2.27 0.00 0.00 179.45 178.56 5pgm h GLU 44 N -0.83 0.75 -0.07 1.90 4.81 -0.67 -2.21 114.58 118.26 5pgm h GLU 44 Ca -0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 5pgm h GLU 44 Cb 0.62 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.83 5pgm h GLU 44 CO 0.13 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.54 5pgm n LYS 45 N -4.75 1.61 -3.15 1.92 4.76 0.63 -4.96 118.16 114.22 5pgm n LYS 45 Ca 0.13 -0.90 -0.14 0.00 -2.87 0.00 0.00 58.31 54.53 5pgm n LYS 45 Cb 0.28 -1.44 0.07 0.00 -1.84 0.00 0.00 35.03 32.10 5pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 5pgm n LYS 46 N 0.10 -4.42 -4.03 1.97 5.02 -0.51 -5.00 118.16 111.28 5pgm n LYS 46 Ca 0.18 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 5pgm n LYS 46 Cb 0.31 -5.34 -0.15 0.00 -0.02 0.00 0.00 35.03 29.83 5pgm n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 5pgm s VAL 47 N -3.32 2.30 -0.68 -0.18 1.01 -0.67 -5.06 120.40 113.81 5pgm s VAL 47 Ca 0.13 -1.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 5pgm s VAL 47 Cb -0.02 -2.50 0.18 0.00 0.00 0.00 0.00 36.38 34.04 5pgm s VAL 47 CO 0.63 -0.28 0.56 -0.31 0.00 0.00 0.00 175.10 175.70 5pgm s TYR 48 N 1.03 3.55 0.35 5.22 2.02 -1.26 -4.56 117.35 123.71 5pgm s TYR 48 Ca -0.00 -2.23 -0.28 0.00 -0.37 0.00 0.00 57.07 54.19 5pgm s TYR 48 Cb -0.20 -3.52 -0.11 0.00 -0.40 0.00 0.00 41.96 37.73 5pgm s TYR 48 CO -0.06 -0.93 1.46 -2.14 -1.57 0.00 0.00 175.55 172.31 5pgm s PRO 49 N 0.33 4.16 0.01 -1.71 0.02 -1.26 -4.74 135.00 131.81 5pgm s PRO 49 Ca 0.15 2.50 0.22 0.00 0.02 0.00 0.00 61.00 63.89 5pgm s PRO 49 Cb -0.18 -3.00 -0.27 0.00 0.02 0.00 0.00 34.50 31.08 5pgm s PRO 49 CO -0.05 -0.48 0.57 -0.25 -0.33 0.00 0.00 177.00 176.46 5pgm n ASP 50 N 0.77 0.18 -3.68 2.53 8.00 0.19 -4.96 116.55 119.57 5pgm n ASP 50 Ca 0.02 0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 5pgm n ASP 50 Cb 0.39 1.62 -0.08 0.00 -0.02 0.00 0.00 41.12 43.04 5pgm n ASP 50 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5pgm s VAL 51 N -3.43 0.04 -0.02 2.53 0.11 -1.17 -4.23 120.40 114.23 5pgm s VAL 51 Ca -0.07 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 5pgm s VAL 51 Cb 0.13 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 5pgm s VAL 51 CO 0.88 -0.17 -0.25 -0.22 -3.33 0.00 0.00 175.10 172.01 5pgm s LEU 52 N -1.20 2.05 -0.05 2.54 2.96 -0.65 -1.98 118.68 122.35 5pgm s LEU 52 Ca -0.12 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 5pgm s LEU 52 Cb -0.04 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 5pgm s LEU 52 CO 0.06 0.31 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.88 5pgm s TYR 53 N -0.60 2.06 0.24 5.38 2.02 0.21 -1.03 117.35 125.63 5pgm s TYR 53 Ca 0.10 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 5pgm s TYR 53 Cb -0.10 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 5pgm s TYR 53 CO -0.01 -0.19 0.14 0.95 -1.57 0.00 0.00 175.55 174.87 5pgm s THR 54 N -0.05 0.14 0.00 -0.71 -4.23 -0.37 -1.25 115.64 109.18 5pgm s THR 54 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 5pgm s THR 54 Cb -0.13 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.19 5pgm s THR 54 CO 0.03 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 5pgm n SER 55 N -0.52 0.00 -1.83 3.99 3.41 -1.24 -1.25 113.62 116.18 5pgm n SER 55 Ca 0.02 -0.94 0.04 0.00 -0.26 0.00 0.00 58.87 57.73 5pgm n SER 55 Cb 0.66 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.97 5pgm n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5pgm n LYS 56 N -0.94 4.44 -4.28 4.33 4.76 -1.25 -4.28 118.16 120.94 5pgm n LYS 56 Ca 0.00 -3.13 -0.34 0.00 -2.87 0.00 0.00 58.31 51.97 5pgm n LYS 56 Cb 0.00 -2.22 -0.13 0.00 -1.84 0.00 0.00 35.03 30.83 5pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 5pgm s LEU 57 N -2.84 2.99 0.30 -0.35 1.43 -1.26 -5.01 118.68 113.93 5pgm s LEU 57 Ca 0.54 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 5pgm s LEU 57 Cb 0.42 -1.73 0.80 0.00 0.03 0.00 0.00 46.19 45.71 5pgm s LEU 57 CO 0.15 0.09 1.68 0.28 0.23 0.00 0.00 176.35 178.77 5pgm h SER 58 N 7.30 0.28 -0.91 2.29 0.02 -1.89 -0.65 113.55 119.99 5pgm h SER 58 Ca -0.34 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 5pgm h SER 58 Cb 1.18 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.84 5pgm h SER 58 CO 0.60 -0.07 0.58 0.08 -1.14 0.00 0.00 176.83 176.88 5pgm h ARG 59 N 0.33 1.07 0.05 3.45 0.11 -1.93 0.88 114.38 118.34 5pgm h ARG 59 Ca 0.60 -0.06 -0.25 0.00 0.10 0.00 0.00 59.98 60.37 5pgm h ARG 59 Cb 1.21 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 32.05 5pgm h ARG 59 CO -0.58 0.71 -1.06 0.00 0.10 0.00 0.00 179.97 179.13 5pgm h ALA 60 N 1.40 0.26 -0.23 0.08 0.00 -1.62 -2.81 119.26 116.33 5pgm h ALA 60 Ca 0.38 -0.77 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 5pgm h ALA 60 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 5pgm h ALA 60 CO -0.14 0.86 -0.19 0.82 0.00 0.00 0.00 179.25 180.60 5pgm h ILE 61 N 0.17 1.32 -0.44 0.00 2.04 -0.07 -2.27 117.51 118.26 5pgm h ILE 61 Ca -0.10 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 5pgm h ILE 61 Cb 1.73 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 5pgm h ILE 61 CO 0.18 0.41 0.12 -0.61 0.00 0.00 0.00 178.15 178.25 5pgm h GLN 62 N 0.22 0.65 -0.32 2.37 4.15 0.63 -1.91 115.11 120.90 5pgm h GLN 62 Ca 0.04 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.38 5pgm h GLN 62 Cb 0.73 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 5pgm h GLN 62 CO 0.05 0.58 0.15 1.15 -1.93 0.00 0.00 178.83 178.83 5pgm h THR 63 N 0.64 0.97 -0.37 2.39 2.02 -1.31 -0.94 112.91 116.31 5pgm h THR 63 Ca 0.15 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 5pgm h THR 63 Cb 0.21 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 5pgm h THR 63 CO -0.01 0.06 0.18 0.00 0.37 0.00 0.00 175.52 176.12 5pgm h ALA 64 N 1.17 0.48 -0.07 6.16 0.00 -0.86 -0.37 119.26 125.77 5pgm h ALA 64 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.95 5pgm h ALA 64 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 5pgm h ALA 64 CO -0.10 0.04 -0.03 -0.91 0.00 0.00 0.00 179.25 178.25 5pgm h ASN 65 N 0.46 -0.10 -0.45 0.00 -0.26 -1.09 0.22 115.58 114.36 5pgm h ASN 65 Ca 0.13 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 5pgm h ASN 65 Cb 0.12 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 5pgm h ASN 65 CO -0.02 -0.04 -0.04 0.40 -1.06 0.00 0.00 177.43 176.67 5pgm h ILE 66 N -0.02 1.27 -0.36 2.81 2.04 -1.16 -1.56 117.51 120.53 5pgm h ILE 66 Ca 0.04 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 5pgm h ILE 66 Cb 0.08 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 5pgm h ILE 66 CO -0.09 0.38 0.13 0.00 0.00 0.00 0.00 178.15 178.58 5pgm h ALA 67 N 0.89 0.47 0.00 1.87 0.00 -0.82 -2.59 119.26 119.08 5pgm h ALA 67 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 5pgm h ALA 67 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 5pgm h ALA 67 CO 0.03 0.08 -0.30 -0.07 0.00 0.00 0.00 179.25 178.99 5pgm h LEU 68 N 0.43 0.00 -0.33 0.00 3.38 -0.51 -0.60 115.31 117.68 5pgm h LEU 68 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 5pgm h LEU 68 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 5pgm h LEU 68 CO -0.01 0.30 0.01 -0.08 0.09 0.00 0.00 178.44 178.76 5pgm h GLU 69 N 0.00 0.57 0.00 1.13 4.22 -1.05 -0.77 114.58 118.68 5pgm h GLU 69 Ca -0.00 -0.17 -0.07 0.00 0.08 0.00 0.00 59.36 59.20 5pgm h GLU 69 Cb 0.65 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 5pgm h GLU 69 CO 0.04 0.69 -0.32 0.87 -2.18 0.00 0.00 179.01 178.10 5pgm h LYS 70 N 0.38 0.00 -0.00 1.92 1.79 -1.21 -1.95 116.57 117.50 5pgm h LYS 70 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 5pgm h LYS 70 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 5pgm h LYS 70 CO 0.01 0.32 -0.24 0.00 -1.08 0.00 0.00 179.45 178.46 5pgm n ALA 71 N -2.47 2.98 -3.15 3.86 0.00 -0.25 -4.62 120.51 116.86 5pgm n ALA 71 Ca -0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 5pgm n ALA 71 Cb 0.37 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.60 5pgm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 5pgm n ASP 72 N -1.27 -5.29 -2.65 0.00 8.00 -0.42 -4.83 116.55 110.08 5pgm n ASP 72 Ca 0.09 -0.34 -0.06 0.00 0.71 0.00 0.00 54.79 55.18 5pgm n ASP 72 Cb 0.32 -3.99 0.04 0.00 -0.02 0.00 0.00 41.12 37.47 5pgm n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5pgm n ARG 73 N -3.71 2.10 0.23 -1.24 1.74 -0.45 -4.85 116.66 110.48 5pgm n ARG 73 Ca -0.03 -3.65 0.10 0.00 -0.77 0.00 0.00 57.85 53.50 5pgm n ARG 73 Cb 0.57 -1.73 0.56 0.00 -1.02 0.00 0.00 32.46 30.84 5pgm n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 5pgm h LEU 74 N 2.56 0.00 -0.52 0.55 3.38 -1.90 -3.22 115.31 116.16 5pgm h LEU 74 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 5pgm h LEU 74 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 5pgm h LEU 74 CO 0.35 0.21 0.00 -2.67 0.09 0.00 0.00 178.44 176.42 5pgm n TRP 75 N -3.62 0.56 -1.94 1.13 4.27 -1.26 -4.89 117.44 111.69 5pgm n TRP 75 Ca -0.01 0.23 -0.38 0.00 -3.89 0.00 0.00 57.50 53.44 5pgm n TRP 75 Cb 0.34 -0.86 0.02 0.00 -1.36 0.00 0.00 31.31 29.45 5pgm n TRP 75 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 5pgm s ILE 76 N -3.23 2.41 0.56 -1.67 -4.36 -1.22 -4.96 121.20 108.73 5pgm s ILE 76 Ca 0.05 0.32 -0.19 0.00 -0.26 0.00 0.00 60.65 60.56 5pgm s ILE 76 Cb 0.09 -3.17 -0.07 0.00 1.25 0.00 0.00 42.46 40.56 5pgm s ILE 76 CO 0.34 0.01 0.86 -2.65 0.24 0.00 0.00 174.94 173.74 5pgm n PRO 77 N -0.69 0.88 -4.09 0.37 -0.02 -1.26 -4.81 135.00 125.38 5pgm n PRO 77 Ca 0.08 0.33 -0.16 0.00 -2.02 0.00 0.00 63.50 61.74 5pgm n PRO 77 Cb 0.45 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 5pgm n PRO 77 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 5pgm s VAL 78 N -1.52 0.34 0.01 -1.45 0.11 -1.26 -1.64 120.40 114.99 5pgm s VAL 78 Ca 0.72 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 5pgm s VAL 78 Cb -0.45 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 5pgm s VAL 78 CO 0.51 0.12 -0.13 0.20 -3.33 0.00 0.00 175.10 172.47 5pgm s ASN 79 N 0.19 1.54 0.10 3.54 -0.87 -0.20 -5.00 114.94 114.24 5pgm s ASN 79 Ca -0.02 -0.32 0.09 0.00 -1.57 0.00 0.00 52.86 51.05 5pgm s ASN 79 Cb -0.05 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.25 41.00 5pgm s ASN 79 CO -0.00 0.10 -0.24 -0.13 -2.57 0.00 0.00 177.10 174.26 5pgm s ARG 80 N -0.63 1.33 -0.14 -0.60 0.52 -1.26 -1.23 118.95 116.93 5pgm s ARG 80 Ca 0.03 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.94 5pgm s ARG 80 Cb -0.06 -1.64 0.04 0.00 0.52 0.00 0.00 34.95 33.81 5pgm s ARG 80 CO 0.00 0.40 0.37 0.45 0.02 0.00 0.00 175.30 176.54 5pgm s SER 81 N -1.79 -0.41 0.63 0.23 0.15 -0.38 -4.95 113.70 107.17 5pgm s SER 81 Ca 0.10 0.76 0.37 0.00 0.70 0.00 0.00 55.95 57.88 5pgm s SER 81 Cb -0.10 0.73 2.11 0.00 -1.71 0.00 0.00 66.02 67.06 5pgm s SER 81 CO 0.04 -0.15 2.30 4.11 1.20 0.00 0.00 173.24 180.75 5pgm h TRP 82 N 6.05 0.00 0.00 3.44 5.08 -1.90 -2.20 115.95 126.42 5pgm h TRP 82 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 5pgm h TRP 82 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 5pgm h TRP 82 CO 0.36 0.01 0.00 0.54 -1.28 0.00 0.00 178.44 178.07 5pgm n ARG 83 N -3.43 0.09 -0.15 0.12 1.74 -1.26 -1.71 116.66 112.05 5pgm n ARG 83 Ca -0.03 0.31 0.11 0.00 -0.77 0.00 0.00 57.85 57.47 5pgm n ARG 83 Cb 0.09 -1.66 0.18 0.00 -1.02 0.00 0.00 32.46 30.05 5pgm n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 5pgm n LEU 84 N -1.83 3.24 -4.69 0.55 4.77 -0.83 -4.13 117.00 114.08 5pgm n LEU 84 Ca 0.03 -1.46 -0.32 0.00 -0.03 0.00 0.00 56.01 54.23 5pgm n LEU 84 Cb 0.21 -0.20 0.14 0.00 -2.33 0.00 0.00 43.42 41.24 5pgm n LEU 84 CO 0.17 0.69 0.72 0.20 -1.33 0.00 0.00 177.39 177.84 5pgm s ASN 85 N -1.42 3.33 0.84 -1.43 -0.87 -0.69 -4.34 114.94 110.35 5pgm s ASN 85 Ca 0.34 2.25 -0.10 0.00 -1.57 0.00 0.00 52.86 53.77 5pgm s ASN 85 Cb 0.20 -2.57 0.10 0.00 -0.02 0.00 0.00 41.25 38.96 5pgm s ASN 85 CO 0.28 -2.84 1.11 -0.70 -2.57 0.00 0.00 177.10 172.39 5pgm s GLU 86 N -4.42 1.66 0.22 -0.60 2.56 -1.26 -4.34 118.70 112.52 5pgm s GLU 86 Ca 0.69 1.30 -0.32 0.00 0.00 0.00 0.00 54.97 56.64 5pgm s GLU 86 Cb -0.25 -1.82 -0.12 0.00 2.00 0.00 0.00 34.13 33.94 5pgm s GLU 86 CO 0.54 -2.10 1.71 0.50 -0.56 0.00 0.00 175.26 175.35 5pgm s ARG 87 N -4.80 4.12 0.11 4.30 3.00 -1.26 -4.69 118.95 119.73 5pgm s ARG 87 Ca 0.64 2.61 -0.31 0.00 -1.00 0.00 0.00 55.73 57.67 5pgm s ARG 87 Cb -0.20 -3.06 -0.08 0.00 0.00 0.00 0.00 34.95 31.61 5pgm s ARG 87 CO 0.57 -0.74 1.40 -1.58 0.00 0.00 0.00 175.30 174.95 5pgm s HIS 88 N 0.99 3.21 -2.11 5.12 5.65 -1.26 -4.29 115.29 122.60 5pgm s HIS 88 Ca 0.73 0.92 0.17 0.00 0.25 0.00 0.00 55.06 57.13 5pgm s HIS 88 Cb -0.50 -3.70 0.49 0.00 -1.18 0.00 0.00 32.58 27.70 5pgm s HIS 88 CO 0.35 -2.46 1.40 0.66 -0.65 0.00 0.00 174.74 174.03 5pgm n TYR 89 N 4.03 0.52 -0.51 3.88 4.01 -1.26 -1.69 117.16 126.15 5pgm n TYR 89 Ca 0.12 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 5pgm n TYR 89 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 5pgm n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5pgm n GLY 90 N 1.25 3.25 0.17 2.72 0.00 -1.26 -1.65 105.19 109.67 5pgm n GLY 90 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.21 5pgm n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 5pgm h ASP 91 N 1.03 0.00 1.57 1.61 3.58 -1.01 -2.61 116.42 120.59 5pgm h ASP 91 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 5pgm h ASP 91 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 5pgm h ASP 91 CO 0.00 0.00 0.00 -0.07 -2.88 0.00 0.00 179.24 176.29 5pgm h LEU 92 N 0.00 0.00 -9.35 2.28 4.07 -1.57 -3.45 115.31 107.30 5pgm h LEU 92 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 5pgm h LEU 92 Cb 0.33 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.09 5pgm h LEU 92 CO 0.00 0.00 1.19 0.00 -1.08 0.00 0.00 178.44 178.55 5pgm n GLN 93 N -3.09 2.68 -0.78 1.13 6.02 -0.98 -1.94 117.38 120.41 5pgm n GLN 93 Ca 0.03 0.98 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 5pgm n GLN 93 Cb 0.43 -2.91 0.00 0.00 1.02 0.00 0.00 30.24 28.78 5pgm n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5pgm n GLY 94 N 4.49 0.59 3.86 1.08 0.00 0.18 -4.85 105.19 110.54 5pgm n GLY 94 Ca 0.21 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 5pgm n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5pgm s LYS 95 N -0.45 3.16 0.07 1.61 -0.14 -0.82 -4.83 119.74 118.35 5pgm s LYS 95 Ca 0.00 -0.65 -0.31 0.00 -1.36 0.00 0.00 55.97 53.66 5pgm s LYS 95 Cb 0.00 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 33.24 5pgm s LYS 95 CO 0.00 0.55 1.27 0.34 -0.76 0.00 0.00 175.35 176.75 5pgm s ASP 96 N -2.79 6.98 0.12 2.83 -1.08 -1.26 -1.31 116.67 120.16 5pgm s ASP 96 Ca 0.32 2.11 -0.17 0.00 -0.52 0.00 0.00 52.55 54.29 5pgm s ASP 96 Cb -0.12 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 5pgm s ASP 96 CO 0.25 -0.55 1.63 0.11 0.52 0.00 0.00 175.17 177.14 5pgm h LYS 97 N 6.89 0.53 -0.62 4.34 1.57 -1.34 -2.37 116.57 125.57 5pgm h LYS 97 Ca -0.41 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 5pgm h LYS 97 Cb 1.21 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 5pgm h LYS 97 CO 0.84 0.56 0.10 0.00 -0.57 0.00 0.00 179.45 180.38 5pgm h ALA 98 N 0.94 0.99 0.00 3.86 0.00 -1.93 -1.43 119.26 121.70 5pgm h ALA 98 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 5pgm h ALA 98 Cb 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 5pgm h ALA 98 CO -0.00 0.64 -0.07 0.93 0.00 0.00 0.00 179.25 180.74 5pgm h GLU 99 N 0.96 0.00 0.11 0.00 5.08 -1.92 -1.35 114.58 117.46 5pgm h GLU 99 Ca 0.19 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.27 5pgm h GLU 99 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 5pgm h GLU 99 CO 0.01 0.07 -1.35 1.15 -1.00 0.00 0.00 179.01 177.89 5pgm h THR 100 N 0.00 1.37 0.00 1.13 2.02 -0.94 -2.45 112.91 114.04 5pgm h THR 100 Ca -0.00 -2.98 -0.01 0.00 0.77 0.00 0.00 66.41 64.19 5pgm h THR 100 Cb 0.18 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 5pgm h THR 100 CO 0.01 0.86 -0.07 0.25 0.37 0.00 0.00 175.52 176.94 5pgm h LEU 101 N 0.07 0.00 0.00 2.58 5.85 -0.17 -2.63 115.31 121.00 5pgm h LEU 101 Ca -0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 5pgm h LEU 101 Cb 1.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 5pgm h LEU 101 CO 0.18 0.07 -0.14 0.11 -0.34 0.00 0.00 178.44 178.32 5pgm h LYS 102 N 0.00 0.00 0.00 1.25 1.57 -1.55 -1.24 116.57 116.60 5pgm h LYS 102 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 5pgm h LYS 102 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 5pgm h LYS 102 CO 0.01 0.28 0.05 1.17 -0.57 0.00 0.00 179.45 180.40 5pgm n LYS 103 N -4.70 0.00 0.00 3.15 4.81 -0.92 -2.97 118.16 117.52 5pgm n LYS 103 Ca -0.05 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 5pgm n LYS 103 Cb 0.18 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.68 5pgm n LYS 103 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 5pgm n PHE 104 N -1.21 0.00 0.00 5.64 3.72 -1.00 -5.07 117.46 119.55 5pgm n PHE 104 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 5pgm n PHE 104 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 5pgm n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5pgm n GLY 105 N 1.26 0.41 0.60 1.37 0.00 -0.47 -4.09 105.19 104.27 5pgm n GLY 105 Ca 0.00 -1.57 0.41 0.00 0.00 0.00 0.00 46.02 44.86 5pgm n GLY 105 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 5pgm h GLU 106 N 0.00 0.00 0.00 1.61 4.81 -1.93 -2.11 114.58 116.95 5pgm h GLU 106 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 5pgm h GLU 106 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 5pgm h GLU 106 CO 0.00 0.00 -1.84 0.39 -0.73 0.00 0.00 179.01 176.83 5pgm n GLU 107 N -3.96 0.65 0.04 1.92 -0.58 -1.26 -3.07 120.64 114.38 5pgm n GLU 107 Ca 0.32 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 57.02 5pgm n GLU 107 Cb 1.56 -1.66 -0.13 0.00 -0.57 0.00 0.00 31.44 30.64 5pgm n GLU 107 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 5pgm h LYS 108 N 0.00 0.08 -0.18 3.49 3.64 -1.54 -3.09 116.57 118.96 5pgm h LYS 108 Ca -0.25 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 5pgm h LYS 108 Cb 1.67 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 5pgm h LYS 108 CO 0.03 0.91 -0.06 0.35 -2.27 0.00 0.00 179.45 178.41 5pgm h PHE 109 N 0.02 0.42 -0.48 1.91 3.04 -1.64 -2.59 116.94 117.61 5pgm h PHE 109 Ca -0.15 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.71 5pgm h PHE 109 Cb 1.91 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 40.29 5pgm h PHE 109 CO 0.02 0.65 0.29 -0.97 -2.02 0.00 0.00 178.31 176.28 5pgm h ASN 110 N 0.07 0.57 0.93 0.41 -1.24 -1.64 -1.60 115.58 113.07 5pgm h ASN 110 Ca 0.04 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 5pgm h ASN 110 Cb 0.52 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.44 5pgm h ASN 110 CO 0.02 0.44 -0.45 0.74 -1.29 0.00 0.00 177.43 176.89 5pgm h THR 111 N 0.66 0.00 -0.60 -3.57 2.02 -1.40 0.49 112.91 110.51 5pgm h THR 111 Ca 0.17 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.47 5pgm h THR 111 Cb -0.03 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 5pgm h THR 111 CO -0.03 0.00 0.41 1.88 0.37 0.00 0.00 175.52 178.15 5pgm h TYR 112 N -1.28 0.20 0.07 3.16 0.05 -1.28 -0.84 116.97 117.05 5pgm h TYR 112 Ca -0.13 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.47 5pgm h TYR 112 Cb 0.96 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 5pgm h TYR 112 CO 0.01 0.08 -0.94 0.00 -1.05 0.00 0.00 178.16 176.27 5pgm h ARG 113 N 0.18 0.14 0.00 4.88 3.08 -1.05 -3.44 114.38 118.17 5pgm h ARG 113 Ca 0.29 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.10 5pgm h ARG 113 Cb 0.88 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.02 5pgm h ARG 113 CO -0.05 1.11 -0.07 0.54 -1.07 0.00 0.00 179.97 180.43 5pgm n ARG 114 N -4.24 1.29 -3.05 0.04 5.12 0.17 -5.06 116.66 110.94 5pgm n ARG 114 Ca -0.21 -2.15 -0.31 0.00 -1.93 0.00 0.00 57.85 53.25 5pgm n ARG 114 Cb 0.74 -1.26 -0.04 0.00 -1.16 0.00 0.00 32.46 30.73 5pgm n ARG 114 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 5pgm s SER 115 N -2.28 6.59 -0.03 0.55 1.04 -0.33 -4.70 113.70 114.54 5pgm s SER 115 Ca 0.22 1.10 -0.25 0.00 0.48 0.00 0.00 55.95 57.51 5pgm s SER 115 Cb 0.19 -2.31 -0.20 0.00 0.10 0.00 0.00 66.02 63.80 5pgm s SER 115 CO 0.02 -0.29 1.17 0.15 0.98 0.00 0.00 173.24 175.27 5pgm h PHE 116 N 1.71 0.17 -0.03 5.02 3.57 -1.88 -3.41 116.94 122.09 5pgm h PHE 116 Ca -0.47 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.96 5pgm h PHE 116 Cb 1.18 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.89 5pgm h PHE 116 CO 0.61 0.72 0.00 -0.40 -2.23 0.00 0.00 178.31 177.01 5pgm n ASP 117 N -4.67 1.64 -4.41 0.41 5.68 -1.26 -1.64 116.55 112.30 5pgm n ASP 117 Ca -0.08 -1.50 -0.39 0.00 -0.50 0.00 0.00 54.79 52.31 5pgm n ASP 117 Cb 0.37 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.21 5pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 5pgm s VAL 118 N -0.55 4.57 0.59 2.12 1.01 -1.26 -4.92 120.40 121.95 5pgm s VAL 118 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 5pgm s VAL 118 Cb 0.02 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 5pgm s VAL 118 CO 0.03 -0.08 0.95 -2.16 0.00 0.00 0.00 175.10 173.84 5pgm s PRO 119 N 1.58 3.42 0.91 2.72 0.04 -1.26 -4.67 135.00 137.74 5pgm s PRO 119 Ca 0.03 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 5pgm s PRO 119 Cb -0.18 -2.18 0.14 0.00 0.04 0.00 0.00 34.50 32.32 5pgm s PRO 119 CO 0.06 -0.53 1.09 -2.14 0.04 0.00 0.00 177.00 175.52 5pgm s PRO 120 N -5.05 1.13 0.66 0.56 0.02 -1.26 -4.95 135.00 126.11 5pgm s PRO 120 Ca 0.53 0.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.18 5pgm s PRO 120 Cb -0.11 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 5pgm s PRO 120 CO 0.50 -2.32 1.17 -2.14 -0.33 0.00 0.00 177.00 173.88 5pgm s PRO 121 N -4.93 2.65 0.74 5.54 0.02 -1.26 -4.76 135.00 133.00 5pgm s PRO 121 Ca 0.64 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 5pgm s PRO 121 Cb -0.18 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.47 5pgm s PRO 121 CO 0.57 -1.42 1.10 -1.25 -0.33 0.00 0.00 177.00 175.67 5pgm s PRO 122 N -3.76 2.40 0.03 5.54 0.04 -1.26 -0.66 135.00 137.33 5pgm s PRO 122 Ca 0.73 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 5pgm s PRO 122 Cb -0.27 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 5pgm s PRO 122 CO 0.39 -1.54 0.42 -1.50 0.04 0.00 0.00 177.00 174.81 5pgm s ILE 123 N -2.71 5.03 0.32 0.56 2.07 -0.52 -3.93 121.20 122.03 5pgm s ILE 123 Ca 0.63 0.76 -0.28 0.00 -1.41 0.00 0.00 60.65 60.35 5pgm s ILE 123 Cb -0.18 -3.70 -0.09 0.00 0.13 0.00 0.00 42.46 38.61 5pgm s ILE 123 CO 0.51 0.50 1.16 -0.62 -1.91 0.00 0.00 174.94 174.58 5pgm s ASP 124 N -1.26 6.98 0.27 4.50 2.15 -1.26 -4.94 116.67 123.12 5pgm s ASP 124 Ca 0.27 2.37 -0.00 0.00 0.43 0.00 0.00 52.55 55.61 5pgm s ASP 124 Cb -0.16 -2.63 0.62 0.00 -0.30 0.00 0.00 42.92 40.46 5pgm s ASP 124 CO 0.15 -0.35 1.66 0.00 -0.17 0.00 0.00 175.17 176.46 5pgm h ALA 125 N 3.41 1.17 -0.17 3.66 0.00 -1.99 -0.91 119.26 124.43 5pgm h ALA 125 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 5pgm h ALA 125 Cb 1.22 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.29 5pgm h ALA 125 CO 0.65 -0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 5pgm n SER 126 N -5.19 0.96 -4.78 0.00 3.41 -1.26 -4.70 113.62 102.07 5pgm n SER 126 Ca 0.19 -2.01 -0.37 0.00 -0.26 0.00 0.00 58.87 56.42 5pgm n SER 126 Cb 0.60 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 5pgm n SER 126 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 5pgm s SER 127 N -0.98 6.95 0.62 4.04 0.15 -0.35 -4.91 113.70 119.23 5pgm s SER 127 Ca 0.12 2.07 0.34 0.00 0.70 0.00 0.00 55.95 59.18 5pgm s SER 127 Cb 0.06 -2.59 1.96 0.00 -1.71 0.00 0.00 66.02 63.74 5pgm s SER 127 CO 0.08 -0.35 2.23 -0.65 1.20 0.00 0.00 173.24 175.74 5pgm h PRO 128 N 2.91 0.00 -0.56 5.44 0.11 -1.89 -2.33 132.00 135.67 5pgm h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 5pgm h PRO 128 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 5pgm h PRO 128 CO 0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 5pgm n PHE 129 N -3.52 1.74 -3.35 0.65 3.72 -1.26 -4.94 117.46 110.51 5pgm n PHE 129 Ca -0.02 -0.70 -0.38 0.00 -0.05 0.00 0.00 57.45 56.30 5pgm n PHE 129 Cb 0.16 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 5pgm n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 5pgm s SER 130 N -0.96 6.96 -0.18 4.37 0.15 -0.88 -4.79 113.70 118.37 5pgm s SER 130 Ca 0.52 1.16 0.15 0.00 0.70 0.00 0.00 55.95 58.48 5pgm s SER 130 Cb 0.38 -2.32 0.76 0.00 -1.71 0.00 0.00 66.02 63.12 5pgm s SER 130 CO 0.18 0.26 1.67 0.00 1.20 0.00 0.00 173.24 176.55 5pgm n GLN 131 N 1.60 4.30 -2.09 5.44 3.00 -1.26 -4.97 117.38 123.39 5pgm n GLN 131 Ca -0.10 -2.94 -0.42 0.00 -0.01 0.00 0.00 57.00 53.52 5pgm n GLN 131 Cb 0.51 -2.09 -0.03 0.00 0.00 0.00 0.00 30.24 28.64 5pgm n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 5pgm s LYS 132 N -2.33 4.11 0.00 -1.09 2.36 -1.26 -2.67 119.74 118.86 5pgm s LYS 132 Ca 0.52 2.01 0.00 0.00 -2.55 0.00 0.00 55.97 55.94 5pgm s LYS 132 Cb 0.37 -3.96 0.00 0.00 -1.05 0.00 0.00 37.83 33.18 5pgm s LYS 132 CO 0.19 -0.92 0.00 0.41 1.55 0.00 0.00 175.35 176.58 5pgm n GLY 133 N 4.16 0.75 3.76 5.54 0.00 -1.26 -5.04 105.19 113.10 5pgm n GLY 133 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 5pgm n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5pgm s ASP 134 N -2.46 6.90 0.44 1.61 1.11 -1.09 -4.93 116.67 118.25 5pgm s ASP 134 Ca 0.00 2.55 0.15 0.00 0.18 0.00 0.00 52.55 55.43 5pgm s ASP 134 Cb 0.00 -2.64 1.06 0.00 1.07 0.00 0.00 42.92 42.42 5pgm s ASP 134 CO 0.00 -0.45 1.96 -0.08 1.18 0.00 0.00 175.17 177.77 5pgm h GLU 135 N 3.90 0.37 0.00 8.23 4.81 -1.96 -1.10 114.58 128.83 5pgm h GLU 135 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 5pgm h GLU 135 Cb 1.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.52 5pgm h GLU 135 CO 0.68 0.24 0.00 2.89 -0.73 0.00 0.00 179.01 182.10 5pgm n ARG 136 N -4.47 0.35 -0.04 1.92 1.85 -1.26 -2.59 116.66 112.42 5pgm n ARG 136 Ca 0.11 0.08 0.03 0.00 -1.00 0.00 0.00 57.85 57.07 5pgm n ARG 136 Cb 0.45 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.40 5pgm n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 5pgm n TYR 137 N -1.24 0.00 0.28 2.89 4.01 -0.42 -4.81 117.16 117.87 5pgm n TYR 137 Ca 0.11 -0.58 0.12 0.00 -0.16 0.00 0.00 57.90 57.38 5pgm n TYR 137 Cb 0.15 -0.07 0.55 0.00 -0.31 0.00 0.00 39.34 39.65 5pgm n TYR 137 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 5pgm n LYS 138 N -0.71 0.17 -0.17 -0.72 2.85 -1.07 -2.20 118.16 116.31 5pgm n LYS 138 Ca 0.05 0.53 0.08 0.00 -1.05 0.00 0.00 58.31 57.92 5pgm n LYS 138 Cb 0.40 -1.93 0.17 0.00 -0.65 0.00 0.00 35.03 33.03 5pgm n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 5pgm n TYR 139 N -2.27 0.44 -3.79 5.58 4.01 -1.26 -4.95 117.16 114.92 5pgm n TYR 139 Ca 0.00 -0.33 -0.32 0.00 -0.16 0.00 0.00 57.90 57.10 5pgm n TYR 139 Cb 0.13 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 5pgm n TYR 139 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 5pgm s VAL 140 N -1.12 5.28 0.02 -0.72 1.01 -0.94 -5.03 120.40 118.91 5pgm s VAL 140 Ca 0.28 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 5pgm s VAL 140 Cb 0.16 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 5pgm s VAL 140 CO 0.22 0.14 1.94 -0.67 0.00 0.00 0.00 175.10 176.72 5pgm n ASP 141 N 0.35 4.01 0.00 3.32 2.03 -1.26 -4.82 116.55 120.18 5pgm n ASP 141 Ca -0.05 0.93 0.21 0.00 0.52 0.00 0.00 54.79 56.40 5pgm n ASP 141 Cb 0.52 -1.50 0.70 0.00 -0.72 0.00 0.00 41.12 40.12 5pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 5pgm h PRO 142 N 10.03 0.00 0.00 -0.67 0.11 -1.94 -2.85 132.00 136.68 5pgm h PRO 142 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 5pgm h PRO 142 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 5pgm h PRO 142 CO 0.94 0.00 -0.37 -0.91 -0.21 0.00 0.00 178.00 177.45 5pgm h ASN 143 N 0.00 0.00 1.47 -2.05 2.35 -2.02 -3.16 115.58 112.18 5pgm h ASN 143 Ca 0.25 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 5pgm h ASN 143 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 5pgm h ASN 143 CO -0.00 0.37 -0.54 1.62 -1.65 0.00 0.00 177.43 177.22 5pgm h VAL 144 N 0.00 0.13 -2.58 2.81 3.04 -1.89 -3.46 116.25 114.29 5pgm h VAL 144 Ca -0.00 -1.20 -0.54 0.00 -1.01 0.00 0.00 66.70 63.94 5pgm h VAL 144 Cb 0.77 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 5pgm h VAL 144 CO 0.05 0.07 1.09 -0.76 -1.01 0.00 0.00 177.57 177.01 5pgm s LEU 145 N -5.88 4.35 0.46 3.16 1.02 -1.19 -4.97 118.68 115.63 5pgm s LEU 145 Ca 0.03 2.37 -0.22 0.00 0.02 0.00 0.00 54.13 56.33 5pgm s LEU 145 Cb 0.07 -3.54 -0.08 0.00 0.02 0.00 0.00 46.19 42.67 5pgm s LEU 145 CO 0.73 -0.94 1.11 -2.16 0.02 0.00 0.00 176.35 175.11 5pgm s PRO 146 N 3.81 3.82 0.00 1.29 0.04 -1.26 -4.97 135.00 137.73 5pgm s PRO 146 Ca 0.76 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.52 5pgm s PRO 146 Cb -0.36 -2.34 0.22 0.00 0.04 0.00 0.00 34.50 32.06 5pgm s PRO 146 CO 0.32 -0.47 1.11 0.39 0.04 0.00 0.00 177.00 178.40 5pgm n GLU 147 N -0.57 2.07 0.00 4.56 1.02 -1.26 -4.98 120.64 121.49 5pgm n GLU 147 Ca 0.08 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 5pgm n GLU 147 Cb 0.50 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 5pgm n GLU 147 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 5pgm n THR 148 N 0.52 0.00 -3.67 2.62 5.66 -1.26 -1.43 114.28 116.72 5pgm n THR 148 Ca 0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.99 5pgm n THR 148 Cb 0.37 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.10 5pgm n THR 148 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 5pgm s GLU 149 N -2.00 1.02 0.41 1.09 2.02 -0.68 -4.88 118.70 115.68 5pgm s GLU 149 Ca 0.00 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.35 5pgm s GLU 149 Cb 0.00 0.45 -0.05 0.00 0.10 0.00 0.00 34.13 34.62 5pgm s GLU 149 CO 0.00 -0.39 0.16 -1.54 0.02 0.00 0.00 175.26 173.52 5pgm s SER 150 N -2.74 4.40 0.30 -0.19 1.04 -1.26 -4.33 113.70 110.92 5pgm s SER 150 Ca 0.02 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.41 5pgm s SER 150 Cb 0.02 -0.49 0.49 0.00 0.10 0.00 0.00 66.02 66.14 5pgm s SER 150 CO -0.11 -0.52 1.79 0.25 0.98 0.00 0.00 173.24 175.63 5pgm h LEU 151 N 1.46 0.49 -0.44 2.42 6.46 -1.75 -1.42 115.31 122.53 5pgm h LEU 151 Ca -0.43 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.23 5pgm h LEU 151 Cb 1.25 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 5pgm h LEU 151 CO 0.70 0.66 0.23 0.00 -0.62 0.00 0.00 178.44 179.41 5pgm h ALA 152 N 1.39 0.55 -0.40 1.25 0.00 -1.65 -1.42 119.26 118.99 5pgm h ALA 152 Ca 0.08 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 5pgm h ALA 152 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 5pgm h ALA 152 CO 0.03 -0.12 -0.21 -0.07 0.00 0.00 0.00 179.25 178.88 5pgm h LEU 153 N 0.46 0.79 -0.03 0.00 4.07 -1.76 -2.32 115.31 116.52 5pgm h LEU 153 Ca 0.19 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.87 5pgm h LEU 153 Cb 0.08 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.60 5pgm h LEU 153 CO -0.12 0.99 0.01 0.58 -1.08 0.00 0.00 178.44 178.81 5pgm h VAL 154 N 0.68 0.99 -0.89 1.22 2.07 -0.82 -2.02 116.25 117.48 5pgm h VAL 154 Ca 0.10 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.64 5pgm h VAL 154 Cb 0.72 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 5pgm h VAL 154 CO 0.06 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.64 5pgm h ILE 155 N 0.02 1.16 -0.59 4.57 2.04 -1.19 -0.68 117.51 122.85 5pgm h ILE 155 Ca 0.01 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 5pgm h ILE 155 Cb 0.01 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.00 5pgm h ILE 155 CO -0.02 0.20 0.16 0.44 0.00 0.00 0.00 178.15 178.93 5pgm h ASP 156 N 1.12 0.85 0.89 1.72 3.32 -0.81 -0.77 116.42 122.74 5pgm h ASP 156 Ca 0.35 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.25 5pgm h ASP 156 Cb 0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 5pgm h ASP 156 CO -0.10 0.82 -0.70 0.08 -1.72 0.00 0.00 179.24 177.61 5pgm h ARG 157 N 0.87 0.00 0.04 3.56 -0.00 -0.88 -3.37 114.38 114.60 5pgm h ARG 157 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 60.06 5pgm h ARG 157 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 5pgm h ARG 157 CO -0.00 0.00 -0.57 1.25 -0.00 0.00 0.00 179.97 180.64 5pgm h LEU 158 N 0.00 0.14 -0.87 0.08 6.46 -0.89 -3.39 115.31 116.84 5pgm h LEU 158 Ca 0.00 -0.88 0.23 0.00 -0.12 0.00 0.00 57.88 57.10 5pgm h LEU 158 Cb 0.79 -0.05 -0.14 0.00 -0.73 0.00 0.00 40.66 40.54 5pgm h LEU 158 CO 0.00 1.25 0.25 -0.07 -0.62 0.00 0.00 178.44 179.25 5pgm h LEU 159 N -0.78 0.05 -1.04 2.25 3.38 -1.30 -2.08 115.31 115.79 5pgm h LEU 159 Ca -0.13 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.11 5pgm h LEU 159 Cb 1.28 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 5pgm h LEU 159 CO 0.00 -0.12 0.63 -0.65 0.09 0.00 0.00 178.44 178.39 5pgm h PRO 160 N 0.24 1.06 -0.55 1.13 0.11 -1.78 0.13 132.00 132.34 5pgm h PRO 160 Ca 0.54 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.47 5pgm h PRO 160 Cb 1.07 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 5pgm h PRO 160 CO -0.62 0.70 -0.10 -0.92 -0.21 0.00 0.00 178.00 176.84 5pgm h TYR 161 N 1.09 1.15 -0.34 0.65 3.20 -1.61 -1.71 116.97 119.41 5pgm h TYR 161 Ca 0.45 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 5pgm h TYR 161 Cb 0.28 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 5pgm h TYR 161 CO -0.00 1.06 -0.01 2.35 -1.64 0.00 0.00 178.16 179.92 5pgm h TRP 162 N 0.92 0.66 -0.61 -3.82 2.91 -1.21 -0.15 115.95 114.65 5pgm h TRP 162 Ca 0.14 -0.12 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 5pgm h TRP 162 Cb 0.67 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.13 5pgm h TRP 162 CO 0.05 0.73 0.23 1.96 -1.03 0.00 0.00 178.44 180.38 5pgm h GLN 163 N 0.41 0.91 0.00 2.65 4.20 -0.47 -0.05 115.11 122.75 5pgm h GLN 163 Ca 0.09 -0.17 -0.46 0.00 0.06 0.00 0.00 58.65 58.17 5pgm h GLN 163 Cb 0.47 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 5pgm h GLN 163 CO 0.02 0.78 -2.52 -0.25 -0.67 0.00 0.00 178.83 176.19 5pgm n ASP 164 N -4.45 1.96 -0.05 1.46 9.92 -0.67 -4.43 116.55 120.29 5pgm n ASP 164 Ca 0.04 0.32 -0.01 0.00 -0.53 0.00 0.00 54.79 54.61 5pgm n ASP 164 Cb 0.17 -0.80 -0.00 0.00 -0.64 0.00 0.00 41.12 39.85 5pgm n ASP 164 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 5pgm h VAL 165 N -0.94 0.00 -0.64 2.53 2.07 -1.23 -3.28 116.25 114.75 5pgm h VAL 165 Ca -0.69 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 5pgm h VAL 165 Cb 1.63 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 5pgm h VAL 165 CO -0.40 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.62 5pgm h ILE 166 N -1.00 1.27 -0.90 4.57 2.04 -1.37 -2.84 117.51 119.27 5pgm h ILE 166 Ca 0.00 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.83 5pgm h ILE 166 Cb 0.07 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 5pgm h ILE 166 CO 0.00 0.41 0.58 0.00 0.00 0.00 0.00 178.15 179.15 5pgm h ALA 167 N 1.01 1.60 -0.34 1.87 0.00 -1.20 -2.55 119.26 119.65 5pgm h ALA 167 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 5pgm h ALA 167 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 5pgm h ALA 167 CO 0.03 0.22 0.15 -0.22 0.00 0.00 0.00 179.25 179.43 5pgm h LYS 168 N 0.93 0.31 -0.24 0.00 3.64 -1.56 0.34 116.57 119.99 5pgm h LYS 168 Ca 0.42 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 5pgm h LYS 168 Cb 0.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 5pgm h LYS 168 CO -0.18 0.21 0.07 -0.44 -2.27 0.00 0.00 179.45 176.84 5pgm h ASP 169 N 0.32 0.35 0.16 4.20 3.32 -1.52 -1.28 116.42 121.97 5pgm h ASP 169 Ca 0.15 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.00 5pgm h ASP 169 Cb 0.08 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 5pgm h ASP 169 CO -0.12 0.46 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.59 5pgm h LEU 170 N 0.21 -0.56 -1.05 1.55 4.07 -1.24 -1.24 115.31 117.06 5pgm h LEU 170 Ca 0.08 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.09 5pgm h LEU 170 Cb 0.24 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.18 5pgm h LEU 170 CO -0.00 -0.30 0.00 0.18 -1.08 0.00 0.00 178.44 177.24 5pgm n LEU 171 N -5.33 0.55 -1.21 1.67 4.77 0.12 -0.90 117.00 116.66 5pgm n LEU 171 Ca -0.07 0.71 0.09 0.00 -0.03 0.00 0.00 56.01 56.70 5pgm n LEU 171 Cb 0.24 -0.71 0.28 0.00 -2.33 0.00 0.00 43.42 40.89 5pgm n LEU 171 CO 0.29 -0.77 0.73 -1.20 -1.33 0.00 0.00 177.39 175.11 5pgm n SER 172 N -2.18 3.54 -0.01 -1.43 7.64 -0.49 -4.93 113.62 115.75 5pgm n SER 172 Ca 0.00 -2.17 -0.00 0.00 1.01 0.00 0.00 58.87 57.70 5pgm n SER 172 Cb 0.10 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.85 5pgm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5pgm n GLY 173 N 1.22 0.47 3.78 0.23 0.00 -0.08 -5.04 105.19 105.76 5pgm n GLY 173 Ca 0.20 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 5pgm n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5pgm s LYS 174 N -0.44 4.15 -0.06 1.61 1.02 -0.53 -4.96 119.74 120.53 5pgm s LYS 174 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 5pgm s LYS 174 Cb 0.00 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 5pgm s LYS 174 CO 0.00 0.42 1.41 0.99 -0.92 0.00 0.00 175.35 177.25 5pgm s THR 175 N -0.21 3.87 -0.13 2.17 2.01 -1.26 -4.07 115.64 118.02 5pgm s THR 175 Ca 0.24 1.16 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 5pgm s THR 175 Cb -0.16 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 5pgm s THR 175 CO 0.11 -0.06 0.02 -0.69 -0.69 0.00 0.00 174.62 173.32 5pgm s VAL 176 N 3.11 4.47 -0.15 3.82 1.01 -0.62 -0.64 120.40 131.40 5pgm s VAL 176 Ca 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 5pgm s VAL 176 Cb -0.29 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 5pgm s VAL 176 CO 0.24 0.54 -0.10 -0.32 0.00 0.00 0.00 175.10 175.45 5pgm s MET 177 N -0.22 3.43 -0.15 2.72 -2.45 -0.84 0.37 119.30 122.16 5pgm s MET 177 Ca 0.06 -0.65 -0.01 0.00 -1.25 0.00 0.00 55.69 53.85 5pgm s MET 177 Cb -0.12 -2.74 -0.01 0.00 1.25 0.00 0.00 34.83 33.21 5pgm s MET 177 CO 0.02 0.15 -0.13 0.42 1.05 0.00 0.00 175.02 176.53 5pgm s ILE 178 N 0.54 2.95 -0.32 10.11 1.01 0.61 -0.62 121.20 135.48 5pgm s ILE 178 Ca -0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 5pgm s ILE 178 Cb -0.15 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.11 5pgm s ILE 178 CO 0.03 0.51 0.05 0.00 0.00 0.00 0.00 174.94 175.53 5pgm s ALA 179 N 0.70 2.93 0.00 9.38 0.00 -0.38 -1.17 121.76 133.23 5pgm s ALA 179 Ca -0.06 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.12 5pgm s ALA 179 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.86 5pgm s ALA 179 CO 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 175.76 174.46 5pgm n ALA 180 N 4.71 0.00 -2.37 0.00 0.00 -0.96 -3.64 120.51 118.24 5pgm n ALA 180 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 5pgm n ALA 180 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 5pgm n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 5pgm s HIS 181 N 3.29 1.68 0.06 0.00 3.76 -1.26 -3.62 115.29 119.21 5pgm s HIS 181 Ca 0.00 -1.41 -0.20 0.00 -0.15 0.00 0.00 55.06 53.30 5pgm s HIS 181 Cb 0.00 -0.91 -0.08 0.00 1.11 0.00 0.00 32.58 32.70 5pgm s HIS 181 CO 0.00 -0.54 1.32 0.78 -0.85 0.00 0.00 174.74 175.46 5pgm h GLY 182 N 2.09 -1.24 0.94 -2.22 0.00 -1.94 0.64 103.07 101.33 5pgm h GLY 182 Ca -0.32 0.64 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 5pgm h GLY 182 CO 0.50 -0.36 -0.01 3.43 0.00 0.00 0.00 176.54 180.10 5pgm h ASN 183 N -0.39 0.68 -0.40 0.19 2.35 -1.97 -0.97 115.58 115.07 5pgm h ASN 183 Ca 0.01 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 5pgm h ASN 183 Cb 0.42 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 5pgm h ASN 183 CO -0.21 0.83 -0.02 0.77 -1.65 0.00 0.00 177.43 177.15 5pgm h SER 184 N 0.52 0.78 0.55 5.81 4.64 -1.74 0.30 113.55 124.40 5pgm h SER 184 Ca 0.11 -0.20 -0.24 0.00 -0.47 0.00 0.00 61.79 60.99 5pgm h SER 184 Cb 0.49 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 5pgm h SER 184 CO 0.02 0.86 -1.06 -0.07 -0.87 0.00 0.00 176.83 175.72 5pgm h LEU 185 N 0.75 0.40 -0.60 5.97 3.38 -0.82 -1.14 115.31 123.25 5pgm h LEU 185 Ca 0.14 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 5pgm h LEU 185 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 5pgm h LEU 185 CO 0.02 1.22 0.20 0.03 0.09 0.00 0.00 178.44 180.01 5pgm h ARG 186 N 0.13 0.92 -0.38 1.13 3.08 -0.93 0.55 114.38 118.88 5pgm h ARG 186 Ca -0.09 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 59.82 5pgm h ARG 186 Cb 1.74 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.60 5pgm h ARG 186 CO 0.17 0.81 0.08 0.78 -1.07 0.00 0.00 179.97 180.75 5pgm h GLY 187 N 0.84 0.45 1.06 0.04 0.00 -0.26 0.68 103.07 105.89 5pgm h GLY 187 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 5pgm h GLY 187 CO -0.01 -0.03 0.20 -2.00 0.00 0.00 0.00 176.54 174.70 5pgm h LEU 188 N 0.21 1.07 -0.86 3.11 5.85 -0.76 -2.04 115.31 121.90 5pgm h LEU 188 Ca 0.18 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 5pgm h LEU 188 Cb 0.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 5pgm h LEU 188 CO -0.23 1.02 -0.21 0.58 -0.34 0.00 0.00 178.44 179.26 5pgm h VAL 189 N 1.08 1.26 -0.57 1.05 2.07 0.25 0.16 116.25 121.55 5pgm h VAL 189 Ca 0.23 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.54 5pgm h VAL 189 Cb 0.34 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 5pgm h VAL 189 CO -0.00 0.41 0.33 0.50 0.02 0.00 0.00 177.57 178.82 5pgm h LYS 190 N 0.54 0.62 0.14 1.57 3.64 0.68 -1.45 116.57 122.32 5pgm h LYS 190 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 5pgm h LYS 190 Cb 0.65 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 5pgm h LYS 190 CO 0.05 0.41 -0.07 1.25 -2.27 0.00 0.00 179.45 178.82 5pgm h HIS 191 N 0.64 -0.17 -0.96 1.91 2.76 -0.96 -1.57 115.15 116.80 5pgm h HIS 191 Ca 0.24 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 5pgm h HIS 191 Cb 0.08 0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 5pgm h HIS 191 CO -0.07 0.13 0.61 -0.07 -1.30 0.00 0.00 177.93 177.22 5pgm h LEU 192 N -0.49 0.95 -0.28 0.26 3.38 -0.45 -3.13 115.31 115.56 5pgm h LEU 192 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 5pgm h LEU 192 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 5pgm h LEU 192 CO 0.03 0.58 -0.73 -0.62 0.09 0.00 0.00 178.44 177.79 5pgm n GLU 193 N -4.57 0.36 -2.42 1.13 1.02 -0.57 -4.44 120.64 111.15 5pgm n GLU 193 Ca 0.15 -0.28 -0.09 0.00 -0.02 0.00 0.00 57.16 56.92 5pgm n GLU 193 Cb 0.22 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 5pgm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 5pgm n GLY 194 N 1.47 0.09 3.76 0.62 0.00 -0.62 -4.99 105.19 105.51 5pgm n GLY 194 Ca 0.06 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 5pgm n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pgm s ILE 195 N -2.66 2.96 0.68 -0.61 1.01 -1.00 -5.00 121.20 116.57 5pgm s ILE 195 Ca 0.08 0.92 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 5pgm s ILE 195 Cb -0.03 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.84 5pgm s ILE 195 CO 0.10 0.20 1.05 -0.94 0.00 0.00 0.00 174.94 175.35 5pgm s SER 196 N -0.40 5.60 0.47 3.58 1.04 -1.26 -4.86 113.70 117.88 5pgm s SER 196 Ca 0.50 1.57 0.20 0.00 0.48 0.00 0.00 55.95 58.70 5pgm s SER 196 Cb -0.38 -2.49 1.21 0.00 0.10 0.00 0.00 66.02 64.46 5pgm s SER 196 CO 0.48 -1.29 1.95 0.44 0.98 0.00 0.00 173.24 175.79 5pgm h ASP 197 N -0.61 0.22 -0.19 7.02 5.19 -1.99 -2.26 116.42 123.80 5pgm h ASP 197 Ca -0.44 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 55.78 5pgm h ASP 197 Cb 1.20 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.69 5pgm h ASP 197 CO 0.58 0.11 -0.67 0.00 -3.12 0.00 0.00 179.24 176.14 5pgm h ALA 198 N 1.68 0.33 -0.01 3.45 0.00 -2.03 -3.33 119.26 119.36 5pgm h ALA 198 Ca 0.32 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.67 5pgm h ALA 198 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 5pgm h ALA 198 CO -0.07 0.63 -0.14 -0.25 0.00 0.00 0.00 179.25 179.42 5pgm n ASP 199 N -4.00 0.85 0.06 0.00 9.92 -0.89 -4.33 116.55 118.15 5pgm n ASP 199 Ca -0.07 -0.88 -0.04 0.00 -0.53 0.00 0.00 54.79 53.28 5pgm n ASP 199 Cb 0.69 0.03 0.18 0.00 -0.64 0.00 0.00 41.12 41.38 5pgm n ASP 199 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 5pgm h ILE 200 N 1.10 1.31 0.00 0.53 6.09 -1.55 -2.97 117.51 122.02 5pgm h ILE 200 Ca 0.00 -1.56 -0.01 0.00 -1.37 0.00 0.00 64.86 61.92 5pgm h ILE 200 Cb 0.43 1.66 -0.00 0.00 0.47 0.00 0.00 36.82 39.37 5pgm h ILE 200 CO 0.00 0.48 -0.03 0.00 -3.07 0.00 0.00 178.15 175.53 5pgm h ALA 201 N 1.27 1.78 0.00 0.18 0.00 -1.82 -2.18 119.26 118.50 5pgm h ALA 201 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 5pgm h ALA 201 Cb 0.86 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 5pgm h ALA 201 CO 0.07 0.04 -0.02 0.87 0.00 0.00 0.00 179.25 180.21 5pgm h LYS 202 N 0.00 0.00 -6.66 0.00 6.56 -1.82 -3.45 116.57 111.20 5pgm h LYS 202 Ca -0.00 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 59.08 5pgm h LYS 202 Cb 0.06 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 5pgm h LYS 202 CO 0.00 0.02 0.38 -1.17 -2.06 0.00 0.00 179.45 176.62 5pgm s LEU 203 N -6.23 4.56 -0.01 2.94 2.96 -0.82 -5.05 118.68 117.02 5pgm s LEU 203 Ca 0.02 1.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.89 5pgm s LEU 203 Cb 0.08 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 5pgm s LEU 203 CO 0.57 -0.00 -0.14 0.21 -1.32 0.00 0.00 176.35 175.67 5pgm s ASN 204 N -0.53 1.64 -0.24 3.68 2.47 -1.26 -5.07 114.94 115.63 5pgm s ASN 204 Ca 0.45 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.49 5pgm s ASN 204 Cb -0.26 -0.20 0.05 0.00 -1.45 0.00 0.00 41.25 39.39 5pgm s ASN 204 CO 0.32 0.17 -0.12 -0.63 -3.72 0.00 0.00 177.10 173.12 5pgm s ILE 205 N -0.30 2.28 0.40 -5.21 1.01 -1.26 -5.10 121.20 113.02 5pgm s ILE 205 Ca 0.05 -1.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.04 5pgm s ILE 205 Cb -0.06 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 5pgm s ILE 205 CO -0.00 0.12 1.30 -2.16 0.00 0.00 0.00 174.94 174.20 5pgm s PRO 206 N 1.18 3.97 0.58 2.79 0.04 -1.26 -5.00 135.00 137.30 5pgm s PRO 206 Ca -0.05 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 5pgm s PRO 206 Cb -0.18 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 5pgm s PRO 206 CO -0.07 -0.49 1.10 0.95 0.04 0.00 0.00 177.00 178.54 5pgm s THR 207 N -1.26 3.38 -1.57 1.26 -4.23 -1.26 -4.12 115.64 107.83 5pgm s THR 207 Ca 0.57 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 5pgm s THR 207 Cb -0.38 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.19 5pgm s THR 207 CO 0.49 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 5pgm n GLY 208 N -0.30 0.17 2.70 3.99 0.00 0.43 -4.92 105.19 107.25 5pgm n GLY 208 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 5pgm n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5pgm s ILE 209 N -2.73 0.33 0.22 -0.61 1.01 -1.26 -3.84 121.20 114.33 5pgm s ILE 209 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 60.65 59.89 5pgm s ILE 209 Cb 0.00 -0.89 -0.13 0.00 0.01 0.00 0.00 42.46 41.44 5pgm s ILE 209 CO 0.00 -0.24 1.48 -2.65 0.00 0.00 0.00 174.94 173.53 5pgm n PRO 210 N 5.12 2.16 -3.91 2.79 -0.02 -1.26 -4.71 135.00 135.17 5pgm n PRO 210 Ca -0.08 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 5pgm n PRO 210 Cb 0.48 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 5pgm n PRO 210 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 5pgm s LEU 211 N 0.27 3.07 -0.19 2.45 0.20 -0.05 -1.25 118.68 123.18 5pgm s LEU 211 Ca 0.71 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.89 5pgm s LEU 211 Cb -0.64 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 5pgm s LEU 211 CO 0.46 -0.07 0.03 -0.69 -0.29 0.00 0.00 176.35 175.79 5pgm s VAL 212 N 1.43 4.30 -0.13 1.68 1.01 0.11 -0.77 120.40 128.04 5pgm s VAL 212 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 5pgm s VAL 212 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 5pgm s VAL 212 CO -0.03 0.43 -0.10 -0.36 0.00 0.00 0.00 175.10 175.04 5pgm s PHE 213 N 0.78 2.87 -0.27 5.22 0.40 0.09 -1.35 117.98 125.72 5pgm s PHE 213 Ca 0.02 -0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 55.78 5pgm s PHE 213 Cb -0.14 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 5pgm s PHE 213 CO 0.02 -0.10 0.13 -1.21 0.70 0.00 0.00 175.22 174.76 5pgm s GLU 214 N 0.19 3.71 0.29 0.44 2.02 -1.26 -0.80 118.70 123.28 5pgm s GLU 214 Ca -0.06 -0.46 0.07 0.00 0.02 0.00 0.00 54.97 54.54 5pgm s GLU 214 Cb -0.15 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 5pgm s GLU 214 CO 0.04 -0.22 0.21 -0.51 0.02 0.00 0.00 175.26 174.80 5pgm s LEU 215 N 1.67 3.67 0.00 1.80 1.43 0.21 -0.99 118.68 126.48 5pgm s LEU 215 Ca 0.06 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 5pgm s LEU 215 Cb -0.16 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.84 5pgm s LEU 215 CO 0.07 -0.16 0.04 -0.90 0.23 0.00 0.00 176.35 175.63 5pgm n ASP 216 N -1.23 0.09 0.14 2.29 5.68 -0.38 -2.85 116.55 120.30 5pgm n ASP 216 Ca -0.05 -1.07 0.12 0.00 -0.50 0.00 0.00 54.79 53.28 5pgm n ASP 216 Cb 0.59 -0.02 0.52 0.00 -1.14 0.00 0.00 41.12 41.06 5pgm n ASP 216 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 5pgm n GLU 217 N -1.07 0.18 -0.22 0.11 0.00 -1.26 -1.45 120.64 116.93 5pgm n GLU 217 Ca 0.01 0.48 0.12 0.00 0.00 0.00 0.00 57.16 57.76 5pgm n GLU 217 Cb 0.03 -1.90 0.25 0.00 0.00 0.00 0.00 31.44 29.82 5pgm n GLU 217 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 5pgm n ASN 218 N -2.25 3.36 -2.51 -1.84 3.02 -1.26 -4.96 115.26 108.82 5pgm n ASN 218 Ca 0.01 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.40 5pgm n ASN 218 Cb 0.18 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 5pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 5pgm n LEU 219 N 1.40 -2.42 -4.40 3.41 4.32 -0.53 -5.02 117.00 113.76 5pgm n LEU 219 Ca 0.20 -0.21 -0.31 0.00 -0.02 0.00 0.00 56.01 55.67 5pgm n LEU 219 Cb 0.58 -2.61 -0.14 0.00 -1.62 0.00 0.00 43.42 39.63 5pgm n LEU 219 CO 0.16 0.14 -0.53 -0.54 -1.22 0.00 0.00 177.39 175.40 5pgm s LYS 220 N -5.43 1.98 0.08 3.23 -0.14 -1.26 -4.85 119.74 113.35 5pgm s LYS 220 Ca 0.22 -1.02 -0.35 0.00 -1.36 0.00 0.00 55.97 53.45 5pgm s LYS 220 Cb -0.10 -2.10 -0.15 0.00 -1.68 0.00 0.00 37.83 33.81 5pgm s LYS 220 CO 0.27 0.53 1.52 -2.30 -0.76 0.00 0.00 175.35 174.61 5pgm n PRO 221 N 1.75 1.67 0.00 -1.68 -0.02 -1.26 -1.25 135.00 134.22 5pgm n PRO 221 Ca -0.17 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 5pgm n PRO 221 Cb 0.52 -2.32 0.19 0.00 -0.02 0.00 0.00 33.50 31.86 5pgm n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 5pgm n SER 222 N 3.44 1.21 -3.54 2.55 3.41 -0.16 -4.79 113.62 115.75 5pgm n SER 222 Ca 0.19 -0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 57.74 5pgm n SER 222 Cb 0.24 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 5pgm n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 5pgm s LYS 223 N -2.64 0.68 0.20 4.33 -2.85 -1.26 -5.05 119.74 113.15 5pgm s LYS 223 Ca 0.18 -0.08 -0.32 0.00 -1.00 0.00 0.00 55.97 54.75 5pgm s LYS 223 Cb 0.18 0.32 -0.15 0.00 -2.06 0.00 0.00 37.83 36.12 5pgm s LYS 223 CO 0.61 -0.26 1.12 -0.35 0.10 0.00 0.00 175.35 176.57 5pgm n PRO 224 N 0.20 1.21 -0.60 1.78 -0.04 -1.26 -4.59 135.00 131.69 5pgm n PRO 224 Ca -0.09 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 5pgm n PRO 224 Cb 0.60 -1.89 0.21 0.00 -0.04 0.00 0.00 33.50 32.37 5pgm n PRO 224 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 5pgm s SER 225 N -0.14 2.03 -0.16 3.54 1.04 -1.26 -4.86 113.70 113.88 5pgm s SER 225 Ca 0.69 1.93 -0.18 0.00 0.48 0.00 0.00 55.95 58.88 5pgm s SER 225 Cb -0.81 -2.48 0.05 0.00 0.10 0.00 0.00 66.02 62.88 5pgm s SER 225 CO 0.54 -3.62 0.50 -0.72 0.98 0.00 0.00 173.24 170.91 5pgm s TYR 226 N -2.55 -0.52 0.54 5.02 -0.85 -0.46 -4.99 117.35 113.54 5pgm s TYR 226 Ca 0.68 1.23 -0.11 0.00 -0.52 0.00 0.00 57.07 58.34 5pgm s TYR 226 Cb -0.24 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.24 5pgm s TYR 226 CO 0.61 -0.30 0.94 0.71 -1.52 0.00 0.00 175.55 175.99 5pgm s TYR 227 N 0.01 3.56 -1.61 -3.49 2.02 -1.26 0.09 117.35 116.67 5pgm s TYR 227 Ca -0.02 1.21 0.28 0.00 -0.37 0.00 0.00 57.07 58.17 5pgm s TYR 227 Cb -0.03 -2.62 1.15 0.00 -0.40 0.00 0.00 41.96 40.06 5pgm s TYR 227 CO 0.02 -0.46 1.82 1.28 -1.57 0.00 0.00 175.55 176.63 5pgm n LEU 228 N -2.21 0.51 -3.34 -1.29 4.77 -0.38 -4.06 117.00 111.00 5pgm n LEU 228 Ca 0.05 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 5pgm n LEU 228 Cb 0.54 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 5pgm n LEU 228 CO 0.53 0.10 -0.28 -0.67 -1.33 0.00 0.00 177.39 175.73 5pgm n ASP 229 N -0.97 0.09 -0.21 -1.43 -0.08 -1.26 -5.01 116.55 107.69 5pgm n ASP 229 Ca 0.14 -2.57 -0.03 0.00 -1.51 0.00 0.00 54.79 50.81 5pgm n ASP 229 Cb 0.29 -0.60 0.03 0.00 2.34 0.00 0.00 41.12 43.18 5pgm n ASP 229 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 5pgm h PRO 230 N 4.95 -0.10 0.21 -0.67 0.11 -1.98 -1.50 132.00 133.03 5pgm h PRO 230 Ca 0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 5pgm h PRO 230 Cb 0.88 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 5pgm h PRO 230 CO 0.44 -0.07 -0.19 1.05 -0.21 0.00 0.00 178.00 179.03 5pgm h GLU 231 N -0.10 -0.41 -0.12 1.05 9.09 -1.96 -2.06 114.58 120.07 5pgm h GLU 231 Ca 0.27 0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.66 5pgm h GLU 231 Cb 0.53 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 5pgm h GLU 231 CO -0.68 -0.27 -0.14 0.00 0.05 0.00 0.00 179.01 177.97 5pgm h ALA 232 N 0.32 1.55 -0.18 1.06 0.00 -1.89 0.67 119.26 120.79 5pgm h ALA 232 Ca -0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 5pgm h ALA 232 Cb 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.11 5pgm h ALA 232 CO -0.03 0.33 -0.72 0.00 0.00 0.00 0.00 179.25 178.83 5pgm h ALA 233 N 1.68 0.39 0.00 0.00 0.00 -1.17 -3.24 119.26 116.93 5pgm h ALA 233 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 5pgm h ALA 233 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 5pgm h ALA 233 CO 0.02 0.69 -0.38 0.00 0.00 0.00 0.00 179.25 179.58 5pgm h ALA 234 N 0.64 0.77 -0.02 0.00 0.00 -1.10 -3.44 119.26 116.10 5pgm h ALA 234 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 5pgm h ALA 234 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 5pgm h ALA 234 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.40