#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 1.18 -0.05 -0.52 2.20 -1.26 -0.86 119.74 120.42 5pgm s LYS 2 Ca 0.00 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 5pgm s LYS 2 Cb 0.00 -1.09 -0.01 0.00 -1.51 0.00 0.00 37.83 35.22 5pgm s LYS 2 CO 0.00 -0.06 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.54 5pgm s LEU 3 N 0.90 2.02 -0.12 5.43 2.96 0.33 -1.62 118.68 128.58 5pgm s LEU 3 Ca -0.11 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 5pgm s LEU 3 Cb -0.15 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.30 5pgm s LEU 3 CO 0.01 0.21 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.34 5pgm s VAL 4 N -0.09 2.02 -0.07 1.68 1.01 0.13 0.33 120.40 125.40 5pgm s VAL 4 Ca -0.04 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.98 5pgm s VAL 4 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 5pgm s VAL 4 CO 0.03 0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 174.83 5pgm s LEU 5 N 0.62 3.05 -0.06 3.92 1.43 0.12 -0.00 118.68 127.76 5pgm s LEU 5 Ca -0.12 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 5pgm s LEU 5 Cb -0.17 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.43 5pgm s LEU 5 CO 0.03 0.35 0.01 -0.69 0.23 0.00 0.00 176.35 176.28 5pgm s VAL 6 N -0.72 0.23 -0.17 -1.59 1.01 -0.32 -0.41 120.40 118.43 5pgm s VAL 6 Ca 0.11 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 5pgm s VAL 6 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 5pgm s VAL 6 CO 0.01 0.22 0.40 -0.60 0.00 0.00 0.00 175.10 175.13 5pgm s ARG 7 N 1.84 4.23 0.75 2.72 3.52 -1.26 -2.17 118.95 128.58 5pgm s ARG 7 Ca 0.02 0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.73 5pgm s ARG 7 Cb -0.12 -3.49 0.05 0.00 -1.56 0.00 0.00 34.95 29.83 5pgm s ARG 7 CO -0.04 0.07 1.15 -3.38 -0.81 0.00 0.00 175.30 172.29 5pgm s HIS 8 N 0.97 2.19 0.90 5.12 -3.43 -1.21 0.04 115.29 119.88 5pgm s HIS 8 Ca 0.20 1.62 -0.12 0.00 -0.80 0.00 0.00 55.06 55.96 5pgm s HIS 8 Cb -0.14 -3.31 0.20 0.00 -1.43 0.00 0.00 32.58 27.90 5pgm s HIS 8 CO 0.08 -2.29 1.23 0.41 -2.00 0.00 0.00 174.74 172.16 5pgm n GLY 9 N -0.11 -0.90 3.54 -1.38 0.00 -1.26 -4.44 105.19 100.64 5pgm n GLY 9 Ca 0.12 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 5pgm n GLY 9 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 5pgm n GLN 10 N -3.52 1.03 -2.72 1.61 6.02 -1.26 -4.76 117.38 113.77 5pgm n GLN 10 Ca 0.16 0.36 -0.21 0.00 -0.01 0.00 0.00 57.00 57.30 5pgm n GLN 10 Cb 0.58 -1.67 0.07 0.00 1.02 0.00 0.00 30.24 30.23 5pgm n GLN 10 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 5pgm s SER 11 N -0.70 4.88 0.53 1.08 1.04 -1.26 -1.78 113.70 117.49 5pgm s SER 11 Ca 0.60 -0.36 0.28 0.00 0.48 0.00 0.00 55.95 56.95 5pgm s SER 11 Cb -0.71 -0.27 1.51 0.00 0.10 0.00 0.00 66.02 66.65 5pgm s SER 11 CO 0.59 -1.45 2.10 -0.33 0.98 0.00 0.00 173.24 175.13 5pgm h GLU 12 N -0.12 0.00 0.00 4.02 5.08 -1.49 -2.54 114.58 119.54 5pgm h GLU 12 Ca -0.37 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.77 5pgm h GLU 12 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 5pgm h GLU 12 CO 0.44 0.10 -1.04 -1.49 -1.00 0.00 0.00 179.01 176.02 5pgm h TRP 13 N 0.00 0.00 -0.14 4.33 4.06 -1.89 -3.09 115.95 119.22 5pgm h TRP 13 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 5pgm h TRP 13 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 5pgm h TRP 13 CO 0.00 1.00 -0.00 -0.97 -3.56 0.00 0.00 178.44 174.91 5pgm h ASN 14 N 0.00 0.18 -0.01 -3.49 -0.73 -1.67 -0.40 115.58 109.46 5pgm h ASN 14 Ca -0.03 -0.02 -0.24 0.00 1.87 0.00 0.00 56.30 57.88 5pgm h ASN 14 Cb 1.78 -0.05 0.02 0.00 0.27 0.00 0.00 38.32 40.35 5pgm h ASN 14 CO 0.13 0.22 -0.94 -0.33 -0.37 0.00 0.00 177.43 176.13 5pgm h GLU 15 N 0.20 0.66 0.00 6.67 5.08 -1.61 -3.18 114.58 122.40 5pgm h GLU 15 Ca 0.05 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 5pgm h GLU 15 Cb 0.14 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.59 5pgm h GLU 15 CO 0.00 1.28 0.00 1.63 -1.00 0.00 0.00 179.01 180.93 5pgm n LYS 16 N -3.93 0.64 -3.51 2.33 5.02 -0.72 -4.91 118.16 113.07 5pgm n LYS 16 Ca -0.11 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 5pgm n LYS 16 Cb 0.83 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.42 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 -1.06 -5.22 -4.44 4.39 4.05 -0.24 -4.91 115.26 107.84 5pgm n ASN 17 Ca 0.16 -0.54 -0.32 0.00 0.45 0.00 0.00 54.58 54.33 5pgm n ASN 17 Cb 0.10 -4.89 -0.14 0.00 1.23 0.00 0.00 39.78 36.08 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 -6.86 2.59 0.06 1.20 1.43 -0.75 -0.44 118.68 115.90 5pgm s LEU 18 Ca 0.43 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 5pgm s LEU 18 Cb -0.19 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 5pgm s LEU 18 CO 0.70 0.33 1.26 -0.36 0.23 0.00 0.00 176.35 178.52 5pgm s PHE 19 N -0.67 3.31 -0.10 0.29 0.08 -0.66 -4.45 117.98 115.78 5pgm s PHE 19 Ca 0.10 1.16 -0.06 0.00 0.12 0.00 0.00 56.93 58.26 5pgm s PHE 19 Cb -0.11 -3.51 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 5pgm s PHE 19 CO 0.00 -1.66 -0.11 1.15 -0.10 0.00 0.00 175.22 174.50 5pgm h THR 20 N 4.54 0.00 0.00 0.64 2.02 -1.92 -0.71 112.91 117.48 5pgm h THR 20 Ca -0.41 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.05 5pgm h THR 20 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 5pgm h THR 20 CO 0.84 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.34 5pgm n GLY 21 N 1.67 2.97 0.68 2.16 0.00 -1.26 -2.45 105.19 108.97 5pgm n GLY 21 Ca -0.05 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 13.23 0.12 -2.11 1.61 7.02 -1.26 -4.65 117.44 131.40 5pgm n TRP 22 Ca 0.00 -0.06 -0.42 0.00 -1.02 0.00 0.00 57.50 56.00 5pgm n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -1.88 3.24 -1.24 -0.99 1.01 -1.02 -4.88 120.40 114.64 5pgm s VAL 23 Ca 0.34 0.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 5pgm s VAL 23 Cb 0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 5pgm s VAL 23 CO 0.31 0.04 2.23 -0.67 0.00 0.00 0.00 175.10 177.01 5pgm n ASP 24 N 4.46 4.21 -4.75 3.32 2.03 -1.26 -4.95 116.55 119.60 5pgm n ASP 24 Ca 0.13 -2.72 -0.40 0.00 0.52 0.00 0.00 54.79 52.32 5pgm n ASP 24 Cb 0.42 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 39.31 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 3.60 4.09 0.41 5.18 1.01 -1.26 -4.85 120.40 128.59 5pgm s VAL 25 Ca 0.52 2.05 -0.22 0.00 0.00 0.00 0.00 61.98 64.34 5pgm s VAL 25 Cb 0.14 -4.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 5pgm s VAL 25 CO -0.02 0.48 0.97 -1.59 0.00 0.00 0.00 175.10 174.94 5pgm s LYS 26 N -1.23 4.23 0.49 2.72 -2.85 -1.26 -4.00 119.74 117.84 5pgm s LYS 26 Ca 0.41 1.23 -0.24 0.00 -1.00 0.00 0.00 55.97 56.37 5pgm s LYS 26 Cb -0.25 -2.32 -0.07 0.00 -2.06 0.00 0.00 37.83 33.13 5pgm s LYS 26 CO 0.31 -0.04 1.40 -1.17 0.10 0.00 0.00 175.35 175.95 5pgm s LEU 27 N -2.96 4.01 0.67 2.77 2.96 -1.26 -1.38 118.68 123.49 5pgm s LEU 27 Ca 0.60 2.85 -0.04 0.00 -0.22 0.00 0.00 54.13 57.32 5pgm s LEU 27 Cb -0.13 -4.07 0.06 0.00 0.50 0.00 0.00 46.19 42.55 5pgm s LEU 27 CO 0.17 -1.33 0.96 -0.94 -1.32 0.00 0.00 176.35 173.89 5pgm s SER 28 N -0.70 4.84 0.29 3.68 1.04 -0.74 -4.64 113.70 117.48 5pgm s SER 28 Ca 0.65 0.26 0.03 0.00 0.48 0.00 0.00 55.95 57.37 5pgm s SER 28 Cb -0.42 -0.93 0.62 0.00 0.10 0.00 0.00 66.02 65.38 5pgm s SER 28 CO 0.53 -1.54 1.83 0.00 0.98 0.00 0.00 173.24 175.03 5pgm h ALA 29 N -0.46 1.58 -0.08 5.32 0.00 -1.95 0.42 119.26 124.10 5pgm h ALA 29 Ca -0.43 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 5pgm h ALA 29 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 5pgm h ALA 29 CO 0.56 0.14 -0.59 -0.22 0.00 0.00 0.00 179.25 179.14 5pgm h LYS 30 N 0.92 0.27 -0.46 0.00 3.64 -1.93 -2.36 116.57 116.65 5pgm h LYS 30 Ca 0.51 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 5pgm h LYS 30 Cb 0.60 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 5pgm h LYS 30 CO -0.29 0.78 0.05 0.78 -2.27 0.00 0.00 179.45 178.50 5pgm h GLY 31 N 1.42 0.83 0.93 5.01 0.00 -0.40 -1.95 103.07 108.92 5pgm h GLY 31 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 47.33 46.79 5pgm h GLY 31 CO 0.09 0.53 0.62 1.46 0.00 0.00 0.00 176.54 179.24 5pgm h GLN 32 N 0.63 1.13 -0.53 4.80 4.20 -0.67 -1.37 115.11 123.31 5pgm h GLN 32 Ca 0.14 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 5pgm h GLN 32 Cb 0.43 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 5pgm h GLN 32 CO 0.01 0.75 0.02 1.96 -0.67 0.00 0.00 178.83 180.90 5pgm h GLN 33 N 1.17 0.93 -0.43 1.46 4.20 -1.18 -1.94 115.11 119.30 5pgm h GLN 33 Ca 0.38 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 5pgm h GLN 33 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 5pgm h GLN 33 CO -0.12 0.94 -0.09 0.93 -0.67 0.00 0.00 178.83 179.82 5pgm h GLU 34 N 0.80 0.76 -0.50 1.46 5.08 -0.87 -1.78 114.58 119.54 5pgm h GLU 34 Ca 0.15 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 5pgm h GLU 34 Cb 0.51 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 5pgm h GLU 34 CO 0.02 0.83 0.25 0.00 -1.00 0.00 0.00 179.01 179.11 5pgm h ALA 35 N 1.21 0.63 -0.51 3.43 0.00 -1.06 0.14 119.26 123.10 5pgm h ALA 35 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 5pgm h ALA 35 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 5pgm h ALA 35 CO 0.03 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.25 5pgm h ALA 36 N 1.27 1.16 -0.03 0.00 0.00 -1.17 -2.02 119.26 118.47 5pgm h ALA 36 Ca 0.22 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 5pgm h ALA 36 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 5pgm h ALA 36 CO -0.16 0.55 -0.73 -0.09 0.00 0.00 0.00 179.25 178.83 5pgm h ARG 37 N 0.77 0.21 -0.09 0.00 9.65 -0.41 -2.27 114.38 122.24 5pgm h ARG 37 Ca 0.16 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 5pgm h ARG 37 Cb 0.37 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 5pgm h ARG 37 CO 0.01 0.85 0.05 0.00 2.80 0.00 0.00 179.97 183.68 5pgm h ALA 38 N 1.10 0.12 -0.40 2.80 0.00 -0.39 -0.94 119.26 121.54 5pgm h ALA 38 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.87 5pgm h ALA 38 Cb 1.29 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 5pgm h ALA 38 CO 0.11 -0.37 0.23 0.78 0.00 0.00 0.00 179.25 180.01 5pgm h GLY 39 N 0.08 0.56 1.50 0.00 0.00 -1.32 -1.75 103.07 102.14 5pgm h GLY 39 Ca 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.19 5pgm h GLY 39 CO -0.01 0.15 0.34 0.83 0.00 0.00 0.00 176.54 177.85 5pgm h GLU 40 N 0.47 0.67 -0.46 4.80 5.08 -1.26 -1.47 114.58 122.42 5pgm h GLU 40 Ca 0.16 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 5pgm h GLU 40 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 5pgm h GLU 40 CO -0.08 0.44 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.03 5pgm h LEU 41 N 0.69 1.02 -0.56 1.33 3.38 -0.62 -0.65 115.31 119.91 5pgm h LEU 41 Ca 0.19 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.80 5pgm h LEU 41 Cb -0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 5pgm h LEU 41 CO -0.04 1.22 0.28 -0.07 0.09 0.00 0.00 178.44 179.92 5pgm h LEU 42 N 0.84 0.40 0.12 1.67 3.38 -0.44 0.67 115.31 121.95 5pgm h LEU 42 Ca 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 5pgm h LEU 42 Cb 0.86 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 5pgm h LEU 42 CO 0.08 0.27 -0.06 0.50 0.09 0.00 0.00 178.44 179.31 5pgm h LYS 43 N 0.54 -0.16 -0.64 1.13 3.64 -1.24 -0.04 116.57 119.80 5pgm h LYS 43 Ca 0.25 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 5pgm h LYS 43 Cb 0.18 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 5pgm h LYS 43 CO -0.18 0.26 0.31 1.49 -2.27 0.00 0.00 179.45 179.05 5pgm h GLU 44 N -0.64 0.53 -0.09 1.90 4.81 -1.01 -1.37 114.58 118.71 5pgm h GLU 44 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 5pgm h GLU 44 Cb 0.49 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 5pgm h GLU 44 CO 0.03 0.35 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 5pgm n LYS 45 N -4.88 1.49 -3.45 1.92 4.01 0.22 -4.96 118.16 112.51 5pgm n LYS 45 Ca 0.09 -0.74 -0.20 0.00 -0.51 0.00 0.00 58.31 56.95 5pgm n LYS 45 Cb 0.23 -1.39 0.07 0.00 -0.51 0.00 0.00 35.03 33.43 5pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 5pgm n LYS 46 N -0.06 -6.94 -3.61 1.97 5.02 -0.52 -4.99 118.16 109.02 5pgm n LYS 46 Ca 0.17 0.74 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 5pgm n LYS 46 Cb 0.25 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 29.65 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 -3.29 4.46 -0.41 -0.18 1.01 -0.08 -5.05 120.40 116.87 5pgm s VAL 47 Ca 0.46 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 5pgm s VAL 47 Cb -0.20 -3.52 0.10 0.00 0.00 0.00 0.00 36.38 32.76 5pgm s VAL 47 CO 0.65 -0.27 0.22 -0.31 0.00 0.00 0.00 175.10 175.39 5pgm s TYR 48 N 1.52 3.49 0.25 5.22 2.02 -1.26 -4.58 117.35 124.02 5pgm s TYR 48 Ca 0.02 -2.14 -0.30 0.00 -0.37 0.00 0.00 57.07 54.27 5pgm s TYR 48 Cb -0.20 -3.12 -0.10 0.00 -0.40 0.00 0.00 41.96 38.14 5pgm s TYR 48 CO 0.06 -0.94 1.44 -2.14 -1.57 0.00 0.00 175.55 172.40 5pgm s PRO 49 N 1.23 4.27 0.03 -1.71 0.02 -1.26 -4.72 135.00 132.85 5pgm s PRO 49 Ca 0.06 2.30 0.21 0.00 0.02 0.00 0.00 61.00 63.59 5pgm s PRO 49 Cb -0.23 -3.11 -0.20 0.00 0.02 0.00 0.00 34.50 30.98 5pgm s PRO 49 CO -0.02 -0.42 0.64 -0.25 -0.33 0.00 0.00 177.00 176.61 5pgm n ASP 50 N 2.33 0.37 -3.78 2.53 8.00 0.29 -4.94 116.55 121.35 5pgm n ASP 50 Ca 0.07 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 5pgm n ASP 50 Cb 0.40 1.16 -0.08 0.00 -0.02 0.00 0.00 41.12 42.58 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 -3.26 0.08 0.01 2.53 0.11 -1.16 -4.09 120.40 114.62 5pgm s VAL 51 Ca -0.05 -0.66 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 5pgm s VAL 51 Cb 0.11 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 5pgm s VAL 51 CO 0.85 -0.36 -0.21 -0.22 -3.33 0.00 0.00 175.10 171.83 5pgm s LEU 52 N -1.81 2.09 -0.06 2.54 2.96 -0.59 -2.02 118.68 121.78 5pgm s LEU 52 Ca -0.08 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 5pgm s LEU 52 Cb -0.03 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.64 5pgm s LEU 52 CO -0.01 0.22 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.77 5pgm s TYR 53 N -0.60 1.74 0.38 5.38 2.02 -0.05 -1.42 117.35 124.80 5pgm s TYR 53 Ca 0.08 -0.60 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 5pgm s TYR 53 Cb -0.08 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 5pgm s TYR 53 CO 0.00 -0.25 0.12 0.95 -1.57 0.00 0.00 175.55 174.80 5pgm s THR 54 N 0.33 0.66 0.11 -0.71 -4.23 -0.19 -1.11 115.64 110.51 5pgm s THR 54 Ca -0.10 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 5pgm s THR 54 Cb -0.14 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.28 5pgm s THR 54 CO 0.04 0.00 0.15 -1.54 -0.54 0.00 0.00 174.62 172.73 5pgm n SER 55 N -1.15 0.14 -1.13 3.99 3.41 -1.21 -1.73 113.62 115.94 5pgm n SER 55 Ca -0.05 -1.13 0.09 0.00 -0.26 0.00 0.00 58.87 57.52 5pgm n SER 55 Cb 0.65 -0.10 0.26 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.29 2.51 -3.56 4.33 4.76 -1.22 -4.38 118.16 119.30 5pgm n LYS 56 Ca 0.02 -2.15 -0.37 0.00 -2.87 0.00 0.00 58.31 52.94 5pgm n LYS 56 Cb 0.08 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 31.67 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 -1.10 4.10 0.30 -0.35 1.43 -1.26 -5.01 118.68 116.80 5pgm s LEU 57 Ca 0.40 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 5pgm s LEU 57 Cb 0.22 -2.23 0.79 0.00 0.03 0.00 0.00 46.19 44.99 5pgm s LEU 57 CO 0.26 -0.01 1.66 0.28 0.23 0.00 0.00 176.35 178.77 5pgm h SER 58 N 7.65 0.16 -0.74 2.29 0.02 -1.88 -1.62 113.55 119.44 5pgm h SER 58 Ca -0.37 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 60.84 5pgm h SER 58 Cb 1.17 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 5pgm h SER 58 CO 0.66 -0.12 0.48 0.08 -1.14 0.00 0.00 176.83 176.79 5pgm h ARG 59 N 0.27 0.72 0.10 3.45 0.11 -1.91 0.37 114.38 117.49 5pgm h ARG 59 Ca 0.59 -0.04 -0.23 0.00 0.10 0.00 0.00 59.98 60.39 5pgm h ARG 59 Cb 1.21 -0.16 0.02 0.00 1.11 0.00 0.00 29.97 32.15 5pgm h ARG 59 CO -0.62 0.48 -0.97 0.00 0.10 0.00 0.00 179.97 178.95 5pgm h ALA 60 N 1.61 -0.02 -0.38 0.08 0.00 -1.63 -2.82 119.26 116.10 5pgm h ALA 60 Ca 0.32 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 5pgm h ALA 60 Cb 0.31 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 5pgm h ALA 60 CO -0.11 0.51 0.22 0.82 0.00 0.00 0.00 179.25 180.70 5pgm h ILE 61 N -0.00 1.13 -0.19 0.00 2.04 -1.03 -1.65 117.51 117.80 5pgm h ILE 61 Ca -0.15 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.31 5pgm h ILE 61 Cb 1.70 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 5pgm h ILE 61 CO 0.19 0.13 -0.30 -0.61 0.00 0.00 0.00 178.15 177.55 5pgm h GLN 62 N 0.49 0.38 -0.58 2.37 4.15 -0.40 -0.60 115.11 120.93 5pgm h GLN 62 Ca 0.13 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 5pgm h GLN 62 Cb 0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 5pgm h GLN 62 CO -0.02 0.65 0.15 1.15 -1.93 0.00 0.00 178.83 178.82 5pgm h THR 63 N 0.33 1.23 0.07 2.39 2.02 -1.20 -1.11 112.91 116.65 5pgm h THR 63 Ca 0.04 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 5pgm h THR 63 Cb 0.71 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 5pgm h THR 63 CO 0.05 0.32 -0.03 0.00 0.37 0.00 0.00 175.52 176.22 5pgm h ALA 64 N 1.30 -0.10 -0.69 6.16 0.00 -0.53 -0.90 119.26 124.51 5pgm h ALA 64 Ca 0.19 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.03 5pgm h ALA 64 Cb 0.30 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 5pgm h ALA 64 CO -0.00 -0.39 0.30 -0.91 0.00 0.00 0.00 179.25 178.25 5pgm h ASN 65 N -0.43 0.35 -0.13 0.00 -0.26 -0.92 0.12 115.58 114.30 5pgm h ASN 65 Ca -0.01 0.08 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 5pgm h ASN 65 Cb 0.37 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 5pgm h ASN 65 CO 0.02 0.19 -0.23 0.40 -1.06 0.00 0.00 177.43 176.74 5pgm h ILE 66 N 0.51 1.37 -0.67 2.81 2.04 -1.24 -2.40 117.51 119.92 5pgm h ILE 66 Ca 0.35 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 5pgm h ILE 66 Cb 0.43 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 5pgm h ILE 66 CO -0.31 0.44 0.20 0.00 0.00 0.00 0.00 178.15 178.47 5pgm h ALA 67 N 0.55 0.88 -0.03 1.87 0.00 -0.86 -2.61 119.26 119.05 5pgm h ALA 67 Ca 0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 5pgm h ALA 67 Cb 0.81 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 5pgm h ALA 67 CO 0.05 0.56 -0.52 -0.07 0.00 0.00 0.00 179.25 179.28 5pgm h LEU 68 N 0.98 0.10 -0.46 0.00 3.38 -0.82 -1.77 115.31 116.71 5pgm h LEU 68 Ca 0.21 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 5pgm h LEU 68 Cb 0.32 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 5pgm h LEU 68 CO -0.00 0.60 0.11 -0.08 0.09 0.00 0.00 178.44 179.16 5pgm h GLU 69 N 0.07 0.74 0.00 1.13 4.22 -1.16 -0.45 114.58 119.13 5pgm h GLU 69 Ca -0.00 -0.18 -0.10 0.00 0.08 0.00 0.00 59.36 59.16 5pgm h GLU 69 Cb 0.95 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 5pgm h GLU 69 CO 0.07 0.73 -0.48 0.87 -2.18 0.00 0.00 179.01 178.02 5pgm h LYS 70 N 0.62 0.00 -0.00 1.92 1.79 -1.37 -2.60 116.57 116.93 5pgm h LYS 70 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 5pgm h LYS 70 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 5pgm h LYS 70 CO 0.00 0.48 -0.17 0.00 -1.08 0.00 0.00 179.45 178.68 5pgm n ALA 71 N -2.40 2.88 -3.45 3.86 0.00 -0.68 -4.60 120.51 116.12 5pgm n ALA 71 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 5pgm n ALA 71 Cb 0.52 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.93 -5.02 -1.42 0.00 8.00 -0.26 -4.82 116.55 112.11 5pgm n ASP 72 Ca 0.13 -0.51 0.03 0.00 0.71 0.00 0.00 54.79 55.15 5pgm n ASP 72 Cb 0.30 -4.64 0.08 0.00 -0.02 0.00 0.00 41.12 36.84 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 -4.41 0.82 0.31 -1.24 1.74 -0.73 -4.86 116.66 108.29 5pgm n ARG 73 Ca -0.06 -2.64 0.19 0.00 -0.77 0.00 0.00 57.85 54.57 5pgm n ARG 73 Cb 0.58 -0.75 1.02 0.00 -1.02 0.00 0.00 32.46 32.29 5pgm n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 5pgm h LEU 74 N 1.23 0.00 -0.41 0.55 5.85 -1.90 -2.95 115.31 117.68 5pgm h LEU 74 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 5pgm h LEU 74 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 5pgm h LEU 74 CO 0.12 0.02 0.00 4.11 -0.34 0.00 0.00 178.44 182.34 5pgm h TRP 75 N 0.00 0.00 -3.44 1.25 5.08 -1.93 -3.47 115.95 113.43 5pgm h TRP 75 Ca -0.00 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 5pgm h TRP 75 Cb 0.13 0.00 0.15 0.00 -3.00 0.00 0.00 29.16 26.44 5pgm h TRP 75 CO 0.00 0.00 0.20 0.44 -1.28 0.00 0.00 178.44 177.80 5pgm n ILE 76 N -2.69 3.17 -1.87 0.12 -5.35 -1.12 -4.94 119.36 106.68 5pgm n ILE 76 Ca 0.03 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.65 5pgm n ILE 76 Cb 0.40 -1.23 0.05 0.00 -1.74 0.00 0.00 39.64 37.13 5pgm n ILE 76 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 5pgm s PRO 77 N -2.47 2.82 -0.02 6.28 0.04 -1.26 -4.82 135.00 135.57 5pgm s PRO 77 Ca 0.70 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.74 5pgm s PRO 77 Cb -0.47 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.14 5pgm s PRO 77 CO 0.51 -1.37 -0.07 0.54 0.04 0.00 0.00 177.00 176.66 5pgm s VAL 78 N -1.47 0.63 -0.03 -0.36 0.11 -1.26 -1.54 120.40 116.48 5pgm s VAL 78 Ca 0.79 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 5pgm s VAL 78 Cb -0.35 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 5pgm s VAL 78 CO 0.38 0.20 -0.18 0.20 -3.33 0.00 0.00 175.10 172.37 5pgm s ASN 79 N 0.15 2.17 0.05 3.54 -0.87 -0.51 -5.01 114.94 114.47 5pgm s ASN 79 Ca -0.02 -0.35 0.09 0.00 -1.57 0.00 0.00 52.86 51.02 5pgm s ASN 79 Cb -0.07 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.25 40.65 5pgm s ASN 79 CO 0.00 0.18 -0.26 -0.13 -2.57 0.00 0.00 177.10 174.32 5pgm s ARG 80 N -0.12 1.76 -0.10 -0.60 0.52 -1.26 -1.02 118.95 118.12 5pgm s ARG 80 Ca -0.00 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 53.99 5pgm s ARG 80 Cb -0.10 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.43 5pgm s ARG 80 CO 0.01 0.51 0.26 0.45 0.02 0.00 0.00 175.30 176.55 5pgm s SER 81 N -1.32 -0.27 0.57 0.23 0.15 -0.70 -4.96 113.70 107.39 5pgm s SER 81 Ca 0.12 0.53 0.34 0.00 0.70 0.00 0.00 55.95 57.64 5pgm s SER 81 Cb -0.10 0.51 1.69 0.00 -1.71 0.00 0.00 66.02 66.41 5pgm s SER 81 CO 0.02 -0.11 2.13 4.11 1.20 0.00 0.00 173.24 180.59 5pgm h TRP 82 N 6.05 0.00 0.00 3.44 5.08 -1.90 -2.05 115.95 126.57 5pgm h TRP 82 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 5pgm h TRP 82 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 5pgm h TRP 82 CO 0.39 0.05 0.00 0.54 -1.28 0.00 0.00 178.44 178.14 5pgm n ARG 83 N -3.31 0.16 0.00 0.12 1.74 -1.26 -1.47 116.66 112.63 5pgm n ARG 83 Ca -0.01 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 5pgm n ARG 83 Cb 0.22 -1.81 0.10 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.11 1.80 -4.51 0.55 4.77 -0.77 -4.19 117.00 112.53 5pgm n LEU 84 Ca 0.02 -0.64 -0.34 0.00 -0.03 0.00 0.00 56.01 55.02 5pgm n LEU 84 Cb 0.20 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 5pgm n LEU 84 CO 0.18 0.33 0.21 0.59 -1.33 0.00 0.00 177.39 177.37 5pgm n ASN 85 N -0.15 -0.87 -4.74 -1.43 4.13 -0.54 -4.33 115.26 107.34 5pgm n ASN 85 Ca 0.10 0.50 -0.34 0.00 1.68 0.00 0.00 54.58 56.53 5pgm n ASN 85 Cb 0.44 -1.29 0.08 0.00 -1.54 0.00 0.00 39.78 37.46 5pgm n ASN 85 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 5pgm s GLU 86 N -3.43 2.36 0.03 3.52 2.56 -1.26 -4.39 118.70 118.09 5pgm s GLU 86 Ca 0.65 1.62 -0.36 0.00 0.00 0.00 0.00 54.97 56.88 5pgm s GLU 86 Cb -0.29 -1.87 -0.15 0.00 2.00 0.00 0.00 34.13 33.82 5pgm s GLU 86 CO 0.59 -1.64 1.58 -2.13 -0.56 0.00 0.00 175.26 173.11 5pgm n ARG 87 N -2.63 1.69 -2.17 4.30 0.00 -1.26 -4.62 116.66 111.96 5pgm n ARG 87 Ca 0.12 0.61 -0.42 0.00 -0.00 0.00 0.00 57.85 58.16 5pgm n ARG 87 Cb 0.51 -2.34 -0.03 0.00 0.00 0.00 0.00 32.46 30.60 5pgm n ARG 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 5pgm s HIS 88 N 1.75 2.83 -2.05 -0.14 5.65 -1.26 -4.31 115.29 117.77 5pgm s HIS 88 Ca 0.86 0.76 0.11 0.00 0.25 0.00 0.00 55.06 57.04 5pgm s HIS 88 Cb -0.83 -3.71 0.38 0.00 -1.18 0.00 0.00 32.58 27.24 5pgm s HIS 88 CO 0.47 -2.65 1.29 0.66 -0.65 0.00 0.00 174.74 173.86 5pgm n TYR 89 N 5.23 0.33 -3.29 3.88 4.01 -1.26 -1.27 117.16 124.79 5pgm n TYR 89 Ca 0.13 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 5pgm n TYR 89 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.98 2.30 0.23 2.72 0.00 -1.26 -1.64 105.19 108.52 5pgm n GLY 90 Ca 0.11 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 6.54 0.00 0.36 1.61 3.58 -1.34 -0.94 116.42 126.24 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 0.18 -2.88 0.00 0.00 179.24 176.54 5pgm n LEU 92 N -2.57 0.00 -4.67 2.28 4.32 -0.65 -4.74 117.00 110.96 5pgm n LEU 92 Ca -0.02 0.22 -0.42 0.00 -0.02 0.00 0.00 56.01 55.77 5pgm n LEU 92 Cb 0.06 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 41.61 5pgm n LEU 92 CO 0.14 -0.04 1.14 -1.10 -1.22 0.00 0.00 177.39 176.32 5pgm s GLN 93 N -2.44 4.25 0.00 3.23 -0.21 -0.36 -2.18 119.66 121.96 5pgm s GLN 93 Ca 0.27 1.89 0.00 0.00 0.02 0.00 0.00 55.36 57.55 5pgm s GLN 93 Cb 0.17 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.46 5pgm s GLN 93 CO 0.36 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 5pgm n GLY 94 N 3.71 0.76 3.85 3.09 0.00 -0.27 -4.79 105.19 111.54 5pgm n GLY 94 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.47 3.31 0.22 1.61 1.02 -0.93 -4.85 119.74 119.65 5pgm s LYS 95 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 5pgm s LYS 95 Cb 0.00 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.17 5pgm s LYS 95 CO 0.00 0.70 1.49 0.34 -0.92 0.00 0.00 175.35 176.95 5pgm s ASP 96 N -1.57 6.62 0.27 2.83 -1.08 -1.26 -1.66 116.67 120.81 5pgm s ASP 96 Ca 0.22 2.66 0.06 0.00 -0.52 0.00 0.00 52.55 54.97 5pgm s ASP 96 Cb -0.12 -2.61 0.36 0.00 -1.46 0.00 0.00 42.92 39.08 5pgm s ASP 96 CO 0.12 -0.75 1.63 0.11 0.52 0.00 0.00 175.17 176.81 5pgm h LYS 97 N 5.57 0.23 -0.17 4.34 1.57 -1.10 -1.16 116.57 125.85 5pgm h LYS 97 Ca -0.45 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.00 5pgm h LYS 97 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 5pgm h LYS 97 CO 0.82 0.69 -0.67 0.00 -0.57 0.00 0.00 179.45 179.72 5pgm h ALA 98 N 1.29 0.49 -0.09 3.86 0.00 -1.92 -2.18 119.26 120.72 5pgm h ALA 98 Ca 0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 5pgm h ALA 98 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 5pgm h ALA 98 CO 0.08 0.70 -0.54 0.93 0.00 0.00 0.00 179.25 180.42 5pgm h GLU 99 N 0.49 0.25 -0.24 0.00 5.08 -1.92 -2.30 114.58 115.94 5pgm h GLU 99 Ca -0.02 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 5pgm h GLU 99 Cb 1.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 5pgm h GLU 99 CO 0.13 0.73 -0.37 1.15 -1.00 0.00 0.00 179.01 179.65 5pgm h THR 100 N 0.20 1.29 0.00 1.13 2.02 -1.18 0.11 112.91 116.48 5pgm h THR 100 Ca 0.00 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.58 5pgm h THR 100 Cb 1.01 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 5pgm h THR 100 CO 0.08 0.48 -0.45 0.25 0.37 0.00 0.00 175.52 176.26 5pgm h LEU 101 N 0.45 0.00 0.00 2.58 5.85 -1.10 -2.15 115.31 120.94 5pgm h LEU 101 Ca 0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 5pgm h LEU 101 Cb 0.85 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 5pgm h LEU 101 CO 0.07 0.45 -0.87 0.11 -0.34 0.00 0.00 178.44 177.86 5pgm h LYS 102 N 0.00 0.00 0.21 1.25 1.57 -0.81 -1.70 116.57 117.09 5pgm h LYS 102 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 5pgm h LYS 102 Cb 0.79 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.12 5pgm h LYS 102 CO 0.06 0.74 -1.41 -0.22 -0.57 0.00 0.00 179.45 178.05 5pgm h LYS 103 N 0.00 0.44 0.00 3.15 3.64 -0.67 -3.38 116.57 119.75 5pgm h LYS 103 Ca -0.03 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 5pgm h LYS 103 Cb 1.63 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 5pgm h LYS 103 CO 0.10 1.36 -0.83 1.19 -2.27 0.00 0.00 179.45 178.99 5pgm n PHE 104 N -3.64 0.00 0.00 1.91 3.72 -0.82 -5.10 117.46 113.53 5pgm n PHE 104 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 5pgm n PHE 104 Cb 1.08 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 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 1.40 -1.76 0.31 1.37 0.00 -0.64 -4.22 105.19 101.66 5pgm n GLY 105 Ca 0.01 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 1.08 -0.01 1.61 4.81 -1.96 -1.87 114.58 118.23 5pgm h GLU 106 Ca 0.00 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 5pgm h GLU 106 Cb 0.00 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 5pgm h GLU 106 CO 0.00 0.78 0.01 1.49 -0.73 0.00 0.00 179.01 180.56 5pgm h GLU 107 N 1.08 0.02 -0.50 1.92 4.81 -1.97 -0.43 114.58 119.50 5pgm h GLU 107 Ca 0.28 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.38 5pgm h GLU 107 Cb 0.01 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 5pgm h GLU 107 CO -0.05 0.16 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.03 5pgm h LYS 108 N -0.13 0.99 -0.25 1.92 1.63 -1.73 -1.16 116.57 117.86 5pgm h LYS 108 Ca 0.00 -0.39 -0.00 0.00 -0.85 0.00 0.00 60.65 59.41 5pgm h LYS 108 Cb 0.15 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 5pgm h LYS 108 CO -0.00 1.07 0.15 0.35 -3.45 0.00 0.00 179.45 177.57 5pgm h PHE 109 N 0.85 0.33 -0.60 1.91 3.57 -1.27 0.03 116.94 121.76 5pgm h PHE 109 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 5pgm h PHE 109 Cb 0.72 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 5pgm h PHE 109 CO 0.05 0.26 0.24 -0.91 -2.23 0.00 0.00 178.31 175.72 5pgm h ASN 110 N 0.31 0.80 -0.15 0.41 2.35 -0.86 -1.38 115.58 117.05 5pgm h ASN 110 Ca 0.09 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 5pgm h ASN 110 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 5pgm h ASN 110 CO -0.02 0.71 0.08 0.74 -1.65 0.00 0.00 177.43 177.30 5pgm h THR 111 N 0.86 1.11 -0.62 2.81 2.02 -0.86 0.27 112.91 118.51 5pgm h THR 111 Ca 0.21 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 5pgm h THR 111 Cb 0.16 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 5pgm h THR 111 CO -0.02 0.11 0.17 1.88 0.37 0.00 0.00 175.52 178.03 5pgm h TYR 112 N 0.13 1.03 -0.06 3.16 0.05 -0.71 0.29 116.97 120.87 5pgm h TYR 112 Ca 0.05 -0.11 -0.16 0.00 0.05 0.00 0.00 58.73 58.56 5pgm h TYR 112 Cb 0.10 -0.29 0.01 0.00 1.01 0.00 0.00 36.73 37.56 5pgm h TYR 112 CO -0.03 0.85 -0.60 0.00 -1.05 0.00 0.00 178.16 177.33 5pgm h ARG 113 N 0.91 0.51 0.00 4.88 3.08 -1.20 -3.42 114.38 119.13 5pgm h ARG 113 Ca 0.20 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.78 5pgm h ARG 113 Cb 0.33 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.49 5pgm h ARG 113 CO -0.00 1.10 -0.13 0.54 -1.07 0.00 0.00 179.97 180.42 5pgm n ARG 114 N -4.18 0.96 -2.02 0.04 5.12 0.95 -5.02 116.66 112.51 5pgm n ARG 114 Ca -0.09 -1.26 -0.32 0.00 -1.93 0.00 0.00 57.85 54.24 5pgm n ARG 114 Cb 0.66 -0.81 0.01 0.00 -1.16 0.00 0.00 32.46 31.16 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 -1.04 5.83 0.10 0.55 1.04 0.09 -4.68 113.70 115.59 5pgm s SER 115 Ca 0.06 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.11 5pgm s SER 115 Cb 0.05 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.54 5pgm s SER 115 CO 0.01 -1.13 1.38 0.15 0.98 0.00 0.00 173.24 174.62 5pgm h PHE 116 N 0.34 0.94 0.00 5.02 3.57 -1.88 -3.40 116.94 121.53 5pgm h PHE 116 Ca -0.46 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 60.71 5pgm h PHE 116 Cb 1.21 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.78 5pgm h PHE 116 CO 0.60 1.12 0.00 -0.40 -2.23 0.00 0.00 178.31 177.39 5pgm n ASP 117 N -4.14 1.20 -4.51 0.41 5.68 -1.26 -1.62 116.55 112.30 5pgm n ASP 117 Ca -0.05 -1.34 -0.41 0.00 -0.50 0.00 0.00 54.79 52.49 5pgm n ASP 117 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.34 5.23 0.43 2.12 1.01 -1.26 -4.88 120.40 122.71 5pgm s VAL 118 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 5pgm s VAL 118 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 5pgm s VAL 118 CO 0.00 -0.05 0.71 -2.16 0.00 0.00 0.00 175.10 173.60 5pgm s PRO 119 N 1.71 3.54 0.97 2.72 0.04 -1.26 -4.64 135.00 138.08 5pgm s PRO 119 Ca 0.06 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 5pgm s PRO 119 Cb -0.18 -2.46 0.15 0.00 0.04 0.00 0.00 34.50 32.05 5pgm s PRO 119 CO 0.10 -0.08 0.95 -2.30 0.04 0.00 0.00 177.00 175.71 5pgm n PRO 120 N -2.02 -0.80 -1.72 0.56 -0.02 -1.26 -4.91 135.00 124.82 5pgm n PRO 120 Ca -0.01 -0.18 -0.38 0.00 -2.02 0.00 0.00 63.50 60.91 5pgm n PRO 120 Cb 0.55 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 5pgm n PRO 120 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 5pgm n PRO 121 N -3.82 1.38 -2.23 0.52 -0.02 -1.26 -4.78 135.00 124.78 5pgm n PRO 121 Ca 0.09 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 5pgm n PRO 121 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 5pgm n PRO 121 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 5pgm s PRO 122 N -3.05 3.40 0.24 0.52 0.04 -1.26 -1.33 135.00 133.57 5pgm s PRO 122 Ca 0.76 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 5pgm s PRO 122 Cb -0.41 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.98 5pgm s PRO 122 CO 0.46 -0.82 0.65 -1.50 0.04 0.00 0.00 177.00 175.82 5pgm s ILE 123 N -1.71 4.75 0.14 0.56 2.07 -0.73 -4.04 121.20 122.25 5pgm s ILE 123 Ca 0.71 0.89 -0.30 0.00 -1.41 0.00 0.00 60.65 60.54 5pgm s ILE 123 Cb -0.25 -3.69 -0.07 0.00 0.13 0.00 0.00 42.46 38.57 5pgm s ILE 123 CO 0.29 0.02 1.24 -0.62 -1.91 0.00 0.00 174.94 173.95 5pgm s ASP 124 N -2.04 7.03 0.00 4.50 2.15 -1.26 -4.92 116.67 122.13 5pgm s ASP 124 Ca 0.47 2.20 0.00 0.00 0.43 0.00 0.00 52.55 55.64 5pgm s ASP 124 Cb -0.13 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 5pgm s ASP 124 CO 0.19 -0.46 0.86 0.00 -0.17 0.00 0.00 175.17 175.60 5pgm n ALA 125 N 3.15 0.87 -1.31 3.66 0.00 -1.26 -1.78 120.51 123.84 5pgm n ALA 125 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 5pgm n ALA 125 Cb 0.45 -0.83 0.17 0.00 0.00 0.00 0.00 19.45 19.24 5pgm n ALA 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 5pgm n SER 126 N -1.36 2.08 -4.85 0.00 7.64 -1.26 -4.79 113.62 111.08 5pgm n SER 126 Ca 0.00 -3.46 -0.32 0.00 1.01 0.00 0.00 58.87 56.10 5pgm n SER 126 Cb 0.08 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 5pgm n SER 126 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 5pgm s SER 127 N -3.03 6.61 0.46 6.43 0.15 -0.73 -4.96 113.70 118.64 5pgm s SER 127 Ca 0.35 1.51 0.19 0.00 0.70 0.00 0.00 55.95 58.70 5pgm s SER 127 Cb 0.32 -2.49 1.12 0.00 -1.71 0.00 0.00 66.02 63.27 5pgm s SER 127 CO -0.01 -0.56 2.00 1.55 1.20 0.00 0.00 173.24 177.41 5pgm h PRO 128 N 0.96 0.00 -0.82 5.44 0.13 -1.97 -2.85 132.00 132.90 5pgm h PRO 128 Ca -0.47 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 5pgm h PRO 128 Cb 1.18 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 5pgm h PRO 128 CO 0.62 0.19 0.26 1.19 -0.23 0.00 0.00 178.00 180.03 5pgm n PHE 129 N -4.06 2.13 -3.83 1.56 3.72 -1.26 -4.93 117.46 110.79 5pgm n PHE 129 Ca -0.02 -1.09 -0.35 0.00 -0.05 0.00 0.00 57.45 55.93 5pgm n PHE 129 Cb 0.26 -0.63 -0.08 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.77 6.10 -0.03 4.37 0.15 -1.08 -4.82 113.70 117.62 5pgm s SER 130 Ca 0.46 0.24 0.07 0.00 0.70 0.00 0.00 55.95 57.43 5pgm s SER 130 Cb 0.37 -2.04 0.26 0.00 -1.71 0.00 0.00 66.02 62.90 5pgm s SER 130 CO 0.11 0.23 1.13 0.00 1.20 0.00 0.00 173.24 175.91 5pgm n GLN 131 N 3.19 1.87 -2.10 5.44 3.00 -1.26 -4.92 117.38 122.60 5pgm n GLN 131 Ca -0.17 -1.03 -0.42 0.00 -0.01 0.00 0.00 57.00 55.37 5pgm n GLN 131 Cb 0.53 -1.38 -0.03 0.00 0.00 0.00 0.00 30.24 29.36 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 -1.64 4.25 0.00 -1.09 2.20 -1.26 -2.18 119.74 120.02 5pgm s LYS 132 Ca 0.19 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 5pgm s LYS 132 Cb 0.11 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 5pgm s LYS 132 CO 0.10 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 5pgm n GLY 133 N 3.75 0.66 3.74 5.54 0.00 -1.26 -5.02 105.19 112.60 5pgm n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 6.88 0.30 1.61 1.01 -0.93 -4.90 116.67 118.48 5pgm s ASP 134 Ca 0.00 2.43 0.06 0.00 0.71 0.00 0.00 52.55 55.75 5pgm s ASP 134 Cb 0.00 -2.61 0.82 0.00 1.01 0.00 0.00 42.92 42.14 5pgm s ASP 134 CO 0.00 -0.53 1.68 -0.08 0.21 0.00 0.00 175.17 176.45 5pgm h GLU 135 N 5.19 0.35 0.00 8.23 4.81 -1.95 -1.63 114.58 129.58 5pgm h GLU 135 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 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 0.76 0.23 0.00 2.89 -0.73 0.00 0.00 179.01 182.17 5pgm n ARG 136 N -5.07 0.41 0.00 1.92 1.85 -1.26 -2.14 116.66 112.37 5pgm n ARG 136 Ca 0.25 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 5pgm n ARG 136 Cb 0.75 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 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 -1.05 0.00 0.25 2.89 4.01 -0.62 -4.83 117.16 117.81 5pgm n TYR 137 Ca 0.10 -0.31 0.16 0.00 -0.16 0.00 0.00 57.90 57.69 5pgm n TYR 137 Cb 0.06 -0.03 0.85 0.00 -0.31 0.00 0.00 39.34 39.91 5pgm n TYR 137 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 5pgm h LYS 138 N 0.00 0.00 -0.50 -0.72 2.10 -1.44 -1.34 116.57 114.67 5pgm h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 5pgm h LYS 138 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 5pgm h LYS 138 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 5pgm n TYR 139 N -2.62 0.67 -3.84 0.07 4.01 -1.26 -4.95 117.16 109.24 5pgm n TYR 139 Ca -0.02 -0.44 -0.35 0.00 -0.16 0.00 0.00 57.90 56.93 5pgm n TYR 139 Cb 0.09 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.06 5.39 -0.32 -0.72 1.01 -0.51 -5.01 120.40 119.18 5pgm s VAL 140 Ca 0.36 0.06 -0.38 0.00 0.00 0.00 0.00 61.98 62.02 5pgm s VAL 140 Cb 0.19 -3.53 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 5pgm s VAL 140 CO 0.25 0.40 2.03 -0.67 0.00 0.00 0.00 175.10 177.11 5pgm n ASP 141 N 1.22 2.17 -0.34 3.32 -0.08 -1.26 -4.81 116.55 116.77 5pgm n ASP 141 Ca -0.13 0.68 0.18 0.00 -1.51 0.00 0.00 54.79 54.01 5pgm n ASP 141 Cb 0.53 -1.20 0.39 0.00 2.34 0.00 0.00 41.12 43.19 5pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 5pgm h PRO 142 N 10.24 0.56 0.00 -0.67 0.11 -1.94 -2.01 132.00 138.29 5pgm h PRO 142 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 5pgm h PRO 142 Cb 1.33 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 5pgm h PRO 142 CO 1.00 0.37 -0.03 -0.91 -0.21 0.00 0.00 178.00 178.22 5pgm h ASN 143 N 0.58 0.00 1.12 -2.05 2.35 -2.02 -2.78 115.58 112.78 5pgm h ASN 143 Ca 0.64 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.25 5pgm h ASN 143 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 5pgm h ASN 143 CO -0.45 0.03 -0.93 1.62 -1.65 0.00 0.00 177.43 176.05 5pgm h VAL 144 N 0.00 0.73 -2.00 2.81 3.04 -1.74 -3.46 116.25 115.63 5pgm h VAL 144 Ca -0.00 -2.15 -0.63 0.00 -1.01 0.00 0.00 66.70 62.91 5pgm h VAL 144 Cb 0.06 2.26 0.02 0.00 -2.01 0.00 0.00 31.29 31.62 5pgm h VAL 144 CO 0.00 0.41 1.05 0.18 -1.01 0.00 0.00 177.57 178.21 5pgm n LEU 145 N -3.07 3.30 -4.78 3.16 4.32 -1.05 -4.94 117.00 113.93 5pgm n LEU 145 Ca -0.03 0.99 -0.34 0.00 -0.02 0.00 0.00 56.01 56.61 5pgm n LEU 145 Cb 0.79 -1.35 0.01 0.00 -1.62 0.00 0.00 43.42 41.24 5pgm n LEU 145 CO 0.42 -0.12 0.75 -2.16 -1.22 0.00 0.00 177.39 175.06 5pgm s PRO 146 N 3.72 3.31 0.00 3.23 0.04 -1.26 -4.97 135.00 139.07 5pgm s PRO 146 Ca 0.92 1.46 0.09 0.00 0.04 0.00 0.00 61.00 63.50 5pgm s PRO 146 Cb -0.73 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 31.86 5pgm s PRO 146 CO 0.52 -0.85 0.76 0.39 0.04 0.00 0.00 177.00 177.85 5pgm n GLU 147 N -1.59 0.35 0.00 4.56 -0.58 -1.26 -4.99 120.64 117.13 5pgm n GLU 147 Ca 0.10 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 5pgm n GLU 147 Cb 0.52 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 5pgm n GLU 147 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 5pgm n THR 148 N 0.42 0.00 -3.60 2.62 5.66 -1.26 -1.76 114.28 116.36 5pgm n THR 148 Ca 0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.91 5pgm n THR 148 Cb 0.21 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.93 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 0.99 0.47 1.09 2.02 -0.40 -4.86 118.70 116.01 5pgm s GLU 149 Ca 0.00 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 54.87 5pgm s GLU 149 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.68 5pgm s GLU 149 CO 0.00 -0.34 0.39 -1.54 0.02 0.00 0.00 175.26 173.79 5pgm s SER 150 N -1.82 4.84 0.21 -0.19 1.04 -1.26 -4.33 113.70 112.19 5pgm s SER 150 Ca -0.07 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.33 5pgm s SER 150 Cb -0.01 -0.18 0.17 0.00 0.10 0.00 0.00 66.02 66.10 5pgm s SER 150 CO 0.00 -0.83 1.73 0.25 0.98 0.00 0.00 173.24 175.37 5pgm h LEU 151 N 0.93 1.02 -0.52 2.42 5.85 -1.76 -1.54 115.31 121.72 5pgm h LEU 151 Ca -0.39 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.18 5pgm h LEU 151 Cb 1.28 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 5pgm h LEU 151 CO 0.58 1.00 0.16 0.00 -0.34 0.00 0.00 178.44 179.84 5pgm h ALA 152 N 1.13 0.63 -0.51 1.25 0.00 -1.64 -0.61 119.26 119.52 5pgm h ALA 152 Ca 0.21 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 5pgm h ALA 152 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 5pgm h ALA 152 CO 0.01 -0.24 0.19 -0.07 0.00 0.00 0.00 179.25 179.13 5pgm h LEU 153 N 0.33 0.72 -0.23 0.00 4.07 -1.73 -2.21 115.31 116.26 5pgm h LEU 153 Ca 0.26 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.08 5pgm h LEU 153 Cb 0.31 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 5pgm h LEU 153 CO -0.29 0.71 -0.09 0.58 -1.08 0.00 0.00 178.44 178.28 5pgm h VAL 154 N 0.69 0.69 -0.66 1.22 2.07 -0.31 -1.14 116.25 118.80 5pgm h VAL 154 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 5pgm h VAL 154 Cb 0.23 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 5pgm h VAL 154 CO -0.01 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.42 5pgm h ILE 155 N -0.06 1.06 -0.50 4.57 2.04 -1.03 -0.64 117.51 122.96 5pgm h ILE 155 Ca 0.12 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 5pgm h ILE 155 Cb 0.24 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 5pgm h ILE 155 CO -0.27 0.14 -0.04 0.44 0.00 0.00 0.00 178.15 178.41 5pgm h ASP 156 N 0.74 0.90 1.17 1.72 3.32 -0.59 -2.00 116.42 121.68 5pgm h ASP 156 Ca 0.27 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.99 5pgm h ASP 156 Cb 0.15 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.46 5pgm h ASP 156 CO -0.08 1.01 -0.35 0.08 -1.72 0.00 0.00 179.24 178.18 5pgm h ARG 157 N 0.76 0.00 0.14 3.56 -0.00 -0.88 -3.37 114.38 114.59 5pgm h ARG 157 Ca 0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.78 5pgm h ARG 157 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.54 5pgm h ARG 157 CO 0.03 0.00 -1.73 1.25 -0.00 0.00 0.00 179.97 179.53 5pgm h LEU 158 N 0.00 0.47 -1.11 0.08 6.46 -0.91 -3.39 115.31 116.92 5pgm h LEU 158 Ca 0.00 -0.91 0.20 0.00 -0.12 0.00 0.00 57.88 57.05 5pgm h LEU 158 Cb 0.76 -0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.44 5pgm h LEU 158 CO 0.00 1.76 0.62 -0.07 -0.62 0.00 0.00 178.44 180.13 5pgm h LEU 159 N -0.06 0.71 -1.02 2.25 3.38 -1.53 -2.06 115.31 116.98 5pgm h LEU 159 Ca -0.36 0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.73 5pgm h LEU 159 Cb 1.96 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.62 5pgm h LEU 159 CO 0.10 0.24 0.65 -0.65 0.09 0.00 0.00 178.44 178.88 5pgm h PRO 160 N 0.68 1.25 -0.46 1.13 0.11 -1.78 0.33 132.00 133.26 5pgm h PRO 160 Ca 0.57 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.50 5pgm h PRO 160 Cb 0.99 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 5pgm h PRO 160 CO -0.35 0.82 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.24 5pgm h TYR 161 N 1.28 0.99 -0.68 0.65 3.20 -1.61 -1.74 116.97 119.06 5pgm h TYR 161 Ca 0.39 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 5pgm h TYR 161 Cb -0.04 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 5pgm h TYR 161 CO -0.00 0.98 0.24 2.35 -1.64 0.00 0.00 178.16 180.09 5pgm h TRP 162 N 0.72 1.06 -0.29 -3.82 2.91 -0.97 -1.09 115.95 114.47 5pgm h TRP 162 Ca 0.12 -0.09 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 5pgm h TRP 162 Cb 0.66 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 5pgm h TRP 162 CO 0.05 0.84 0.08 1.96 -1.03 0.00 0.00 178.44 180.34 5pgm h GLN 163 N 0.97 0.46 0.01 2.65 4.20 0.11 -0.54 115.11 122.98 5pgm h GLN 163 Ca 0.22 -0.10 -0.35 0.00 0.06 0.00 0.00 58.65 58.48 5pgm h GLN 163 Cb 0.25 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 5pgm h GLN 163 CO -0.01 0.53 -1.94 -0.25 -0.67 0.00 0.00 178.83 176.48 5pgm n ASP 164 N -4.69 1.93 -0.08 1.46 9.92 -0.70 -4.49 116.55 119.90 5pgm n ASP 164 Ca -0.02 0.33 -0.09 0.00 -0.53 0.00 0.00 54.79 54.48 5pgm n ASP 164 Cb 0.17 -0.86 -0.05 0.00 -0.64 0.00 0.00 41.12 39.75 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 -0.84 0.35 -0.66 2.53 2.07 -1.40 -3.29 116.25 115.01 5pgm h VAL 165 Ca -0.52 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.53 5pgm h VAL 165 Cb 1.54 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 5pgm h VAL 165 CO -0.27 0.12 0.08 0.40 0.02 0.00 0.00 177.57 177.92 5pgm h ILE 166 N -1.00 1.27 -0.96 4.57 2.04 -1.35 -3.04 117.51 119.04 5pgm h ILE 166 Ca -0.09 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.76 5pgm h ILE 166 Cb 0.65 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 5pgm h ILE 166 CO -0.05 0.40 0.62 0.00 0.00 0.00 0.00 178.15 179.12 5pgm h ALA 167 N 1.04 1.43 -0.52 1.87 0.00 -1.30 -2.31 119.26 119.47 5pgm h ALA 167 Ca 0.20 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 5pgm h ALA 167 Cb 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 5pgm h ALA 167 CO 0.02 0.44 0.22 -0.22 0.00 0.00 0.00 179.25 179.71 5pgm h LYS 168 N 1.14 0.42 -0.29 0.00 3.64 -1.60 0.18 116.57 120.06 5pgm h LYS 168 Ca 0.40 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.70 5pgm h LYS 168 Cb 0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 5pgm h LYS 168 CO -0.15 0.28 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.82 5pgm h ASP 169 N 0.43 0.55 -0.47 4.20 3.32 -1.52 -0.65 116.42 122.28 5pgm h ASP 169 Ca 0.25 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 5pgm h ASP 169 Cb 0.22 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 5pgm h ASP 169 CO -0.22 0.77 0.26 -0.07 -1.72 0.00 0.00 179.24 178.26 5pgm h LEU 170 N 0.32 0.58 -0.63 1.55 -0.00 -1.04 -1.63 115.31 114.46 5pgm h LEU 170 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 5pgm h LEU 170 Cb 0.51 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 5pgm h LEU 170 CO 0.02 0.49 0.00 0.18 -0.00 0.00 0.00 178.44 179.14 5pgm n LEU 171 N -4.69 0.73 -0.80 1.67 4.77 0.60 -2.14 117.00 117.14 5pgm n LEU 171 Ca 0.01 0.66 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 5pgm n LEU 171 Cb 0.07 -0.54 0.23 0.00 -2.33 0.00 0.00 43.42 40.86 5pgm n LEU 171 CO 0.36 -0.52 0.69 -1.20 -1.33 0.00 0.00 177.39 175.39 5pgm n SER 172 N -2.29 2.35 0.00 -1.43 7.64 -0.26 -4.94 113.62 114.70 5pgm n SER 172 Ca 0.03 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.96 5pgm n SER 172 Cb 0.26 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.63 3.74 0.23 0.00 -0.91 -5.03 105.19 105.07 5pgm n GLY 173 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.04 4.60 -0.29 1.61 -0.14 -0.70 -4.97 119.74 119.83 5pgm s LYS 174 Ca 0.00 1.25 -0.27 0.00 -1.36 0.00 0.00 55.97 55.59 5pgm s LYS 174 Cb 0.00 -3.35 0.01 0.00 -1.68 0.00 0.00 37.83 32.81 5pgm s LYS 174 CO 0.00 0.30 0.97 0.99 -0.76 0.00 0.00 175.35 176.86 5pgm s THR 175 N -0.23 4.65 -0.06 2.17 2.01 -1.26 -4.28 115.64 118.64 5pgm s THR 175 Ca 0.42 1.67 -0.08 0.00 0.31 0.00 0.00 61.69 64.00 5pgm s THR 175 Cb -0.22 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 5pgm s THR 175 CO 0.27 -0.31 0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 5pgm s VAL 176 N 3.29 5.38 -0.05 3.82 1.01 -0.64 -0.54 120.40 132.66 5pgm s VAL 176 Ca 0.41 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.73 5pgm s VAL 176 Cb -0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 5pgm s VAL 176 CO 0.11 0.53 -0.25 -0.32 0.00 0.00 0.00 175.10 175.18 5pgm s MET 177 N -1.27 2.45 -0.11 2.72 0.00 -0.86 0.18 119.30 122.40 5pgm s MET 177 Ca 0.20 -0.90 0.02 0.00 0.00 0.00 0.00 55.69 55.02 5pgm s MET 177 Cb -0.13 -2.15 0.01 0.00 0.00 0.00 0.00 34.83 32.56 5pgm s MET 177 CO 0.09 0.44 -0.18 0.42 0.00 0.00 0.00 175.02 175.79 5pgm s ILE 178 N -0.30 1.70 -0.36 10.11 1.01 1.00 -0.87 121.20 133.49 5pgm s ILE 178 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 5pgm s ILE 178 Cb -0.13 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 40.89 5pgm s ILE 178 CO 0.02 0.48 0.13 0.00 0.00 0.00 0.00 174.94 175.58 5pgm s ALA 179 N 0.79 3.07 0.00 9.38 0.00 -0.26 -1.17 121.76 133.56 5pgm s ALA 179 Ca -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.87 5pgm s ALA 179 Cb -0.16 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.66 5pgm s ALA 179 CO 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 175.76 174.29 5pgm n ALA 180 N 4.75 0.00 -2.57 0.00 0.00 -0.92 -3.35 120.51 118.42 5pgm n ALA 180 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 5pgm n ALA 180 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 1.94 1.96 0.13 0.00 3.76 -1.26 -3.29 115.29 118.53 5pgm s HIS 181 Ca 0.00 -1.02 -0.23 0.00 -0.15 0.00 0.00 55.06 53.65 5pgm s HIS 181 Cb 0.00 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 5pgm s HIS 181 CO 0.00 0.03 1.65 0.78 -0.85 0.00 0.00 174.74 176.35 5pgm h GLY 182 N 1.77 -0.19 1.41 -2.22 0.00 -1.94 -1.17 103.07 100.73 5pgm h GLY 182 Ca -0.40 0.23 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 5pgm h GLY 182 CO 0.68 -0.18 -1.00 3.43 0.00 0.00 0.00 176.54 179.48 5pgm h ASN 183 N -0.26 0.69 0.14 0.19 2.35 -1.97 -1.01 115.58 115.70 5pgm h ASN 183 Ca 0.09 -0.56 -0.11 0.00 -0.55 0.00 0.00 56.30 55.17 5pgm h ASN 183 Cb 0.39 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 5pgm h ASN 183 CO -0.24 1.36 -0.39 0.77 -1.65 0.00 0.00 177.43 177.28 5pgm h SER 184 N 0.29 0.36 0.46 5.81 4.64 -1.76 0.45 113.55 123.81 5pgm h SER 184 Ca -0.10 -0.15 -0.28 0.00 -0.47 0.00 0.00 61.79 60.79 5pgm h SER 184 Cb 1.64 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 5pgm h SER 184 CO 0.18 0.72 -1.23 -0.07 -0.87 0.00 0.00 176.83 175.56 5pgm h LEU 185 N 0.29 0.57 -0.74 5.97 3.38 -1.25 -1.99 115.31 121.53 5pgm h LEU 185 Ca 0.03 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 5pgm h LEU 185 Cb 0.82 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 5pgm h LEU 185 CO 0.07 1.42 0.17 0.03 0.09 0.00 0.00 178.44 180.21 5pgm h ARG 186 N 0.14 1.12 -0.42 1.13 3.08 -1.08 -0.71 114.38 117.63 5pgm h ARG 186 Ca -0.15 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.65 5pgm h ARG 186 Cb 1.93 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 5pgm h ARG 186 CO 0.21 0.99 0.25 0.78 -1.07 0.00 0.00 179.97 181.14 5pgm h GLY 187 N 1.08 0.59 1.20 0.04 0.00 -0.82 0.11 103.07 105.28 5pgm h GLY 187 Ca 0.22 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 5pgm h GLY 187 CO 0.00 0.17 -0.30 -2.00 0.00 0.00 0.00 176.54 174.42 5pgm h LEU 188 N 0.52 0.93 -0.61 3.11 5.85 -1.24 -2.42 115.31 121.44 5pgm h LEU 188 Ca 0.17 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 5pgm h LEU 188 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 5pgm h LEU 188 CO -0.07 1.16 -0.07 0.58 -0.34 0.00 0.00 178.44 179.70 5pgm h VAL 189 N 0.75 1.27 -0.59 1.05 2.07 -0.93 0.13 116.25 120.00 5pgm h VAL 189 Ca 0.08 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.47 5pgm h VAL 189 Cb 0.87 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 5pgm h VAL 189 CO 0.08 0.43 0.23 0.50 0.02 0.00 0.00 177.57 178.83 5pgm h LYS 190 N 0.92 0.41 0.08 1.57 3.64 -0.46 -0.10 116.57 122.63 5pgm h LYS 190 Ca 0.15 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 5pgm h LYS 190 Cb 0.63 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 5pgm h LYS 190 CO 0.04 0.27 -0.04 1.25 -2.27 0.00 0.00 179.45 178.70 5pgm h HIS 191 N 0.42 -0.10 -0.35 1.91 2.76 -1.10 0.63 115.15 119.32 5pgm h HIS 191 Ca 0.29 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.41 5pgm h HIS 191 Cb 0.33 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 5pgm h HIS 191 CO -0.16 0.08 0.01 -0.07 -1.30 0.00 0.00 177.93 176.49 5pgm h LEU 192 N -0.27 0.51 -0.84 0.26 3.38 -0.67 -3.19 115.31 114.48 5pgm h LEU 192 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 5pgm h LEU 192 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 5pgm h LEU 192 CO 0.02 0.58 -0.52 -0.62 0.09 0.00 0.00 178.44 177.99 5pgm n GLU 193 N -4.28 1.03 -2.77 1.13 1.02 -0.08 -4.55 120.64 112.15 5pgm n GLU 193 Ca 0.02 -0.84 -0.13 0.00 -0.02 0.00 0.00 57.16 56.19 5pgm n GLU 193 Cb 0.24 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.21 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 1.42 0.01 3.74 0.62 0.00 0.15 -4.98 105.19 106.15 5pgm n GLY 194 Ca 0.09 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.95 3.65 0.73 -0.61 1.01 -0.83 -5.01 121.20 117.19 5pgm s ILE 195 Ca 0.20 1.46 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 5pgm s ILE 195 Cb -0.09 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.49 5pgm s ILE 195 CO 0.25 0.27 1.12 -0.94 0.00 0.00 0.00 174.94 175.64 5pgm s SER 196 N -0.18 4.57 0.39 3.58 1.04 -1.26 -4.80 113.70 117.04 5pgm s SER 196 Ca 0.50 2.02 0.09 0.00 0.48 0.00 0.00 55.95 59.04 5pgm s SER 196 Cb -0.31 -2.55 0.86 0.00 0.10 0.00 0.00 66.02 64.12 5pgm s SER 196 CO 0.37 -2.00 1.95 0.44 0.98 0.00 0.00 173.24 174.98 5pgm h ASP 197 N -0.56 0.56 -0.02 7.02 3.32 -2.00 -2.02 116.42 122.71 5pgm h ASP 197 Ca -0.46 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 5pgm h ASP 197 Cb 1.25 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.70 5pgm h ASP 197 CO 0.51 0.34 -0.38 0.00 -1.72 0.00 0.00 179.24 177.99 5pgm h ALA 198 N 1.63 0.08 -0.23 3.45 0.00 -2.01 -3.36 119.26 118.81 5pgm h ALA 198 Ca 0.33 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 5pgm h ALA 198 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 5pgm h ALA 198 CO -0.11 0.20 -0.24 -0.44 0.00 0.00 0.00 179.25 178.65 5pgm h ASP 199 N -0.28 0.43 -0.61 0.00 3.32 -1.86 -3.32 116.42 114.11 5pgm h ASP 199 Ca -0.04 -0.14 0.16 0.00 0.02 0.00 0.00 57.03 57.03 5pgm h ASP 199 Cb 1.09 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 5pgm h ASP 199 CO 0.08 0.68 0.43 -0.29 -1.72 0.00 0.00 179.24 178.41 5pgm h ILE 200 N 0.39 0.73 -1.06 0.35 6.09 -1.52 -2.41 117.51 120.08 5pgm h ILE 200 Ca 0.06 -0.03 0.28 0.00 -1.37 0.00 0.00 64.86 63.80 5pgm h ILE 200 Cb 0.64 0.64 -0.11 0.00 0.47 0.00 0.00 36.82 38.46 5pgm h ILE 200 CO 0.05 0.02 0.66 0.00 -3.07 0.00 0.00 178.15 175.81 5pgm h ALA 201 N 1.70 2.17 0.00 0.18 0.00 -1.79 -0.93 119.26 120.59 5pgm h ALA 201 Ca 0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.29 5pgm h ALA 201 Cb 1.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 5pgm h ALA 201 CO -0.03 -0.62 -0.09 1.63 0.00 0.00 0.00 179.25 180.13 5pgm n LYS 202 N -4.72 0.02 -2.40 0.00 4.76 -0.91 -4.88 118.16 110.02 5pgm n LYS 202 Ca 0.27 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 5pgm n LYS 202 Cb 0.91 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.56 5pgm n LYS 202 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 5pgm s LEU 203 N -3.08 4.34 -0.07 -0.35 2.96 -0.36 -5.02 118.68 117.10 5pgm s LEU 203 Ca 0.13 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 56.06 5pgm s LEU 203 Cb 0.18 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.31 5pgm s LEU 203 CO 0.56 -0.53 -0.14 0.21 -1.32 0.00 0.00 176.35 175.14 5pgm s ASN 204 N 1.24 2.01 -0.33 3.68 2.47 -1.26 -5.04 114.94 117.70 5pgm s ASN 204 Ca 0.59 -0.34 -0.12 0.00 0.42 0.00 0.00 52.86 53.40 5pgm s ASN 204 Cb -0.29 -0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 38.57 5pgm s ASN 204 CO 0.27 0.05 0.23 -0.63 -3.72 0.00 0.00 177.10 173.30 5pgm s ILE 205 N 0.67 5.23 0.22 -5.21 1.01 -1.26 -5.06 121.20 116.79 5pgm s ILE 205 Ca -0.14 -0.20 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 5pgm s ILE 205 Cb -0.16 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 5pgm s ILE 205 CO 0.04 0.02 1.64 -2.65 0.00 0.00 0.00 174.94 173.99 5pgm n PRO 206 N 5.09 2.56 -2.23 2.79 -0.02 -1.26 -4.95 135.00 136.98 5pgm n PRO 206 Ca -0.13 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 5pgm n PRO 206 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 5pgm n PRO 206 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 5pgm s THR 207 N 0.74 3.09 -2.04 3.45 -4.23 -1.26 -3.77 115.64 111.61 5pgm s THR 207 Ca 0.73 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 5pgm s THR 207 Cb -0.55 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 69.99 5pgm s THR 207 CO 0.39 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 5pgm n GLY 208 N 0.24 1.83 2.93 3.99 0.00 0.11 -4.91 105.19 109.38 5pgm n GLY 208 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.63 1.33 0.14 -0.61 1.01 -1.25 -3.64 121.20 115.55 5pgm s ILE 209 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 5pgm s ILE 209 Cb 0.00 -1.47 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 5pgm s ILE 209 CO 0.00 0.13 1.81 -2.84 0.00 0.00 0.00 174.94 174.04 5pgm s PRO 210 N 1.53 4.14 -0.27 2.79 0.02 -1.26 -4.64 135.00 137.31 5pgm s PRO 210 Ca -0.00 2.59 -0.10 0.00 0.02 0.00 0.00 61.00 63.51 5pgm s PRO 210 Cb -0.16 -3.51 -0.05 0.00 0.02 0.00 0.00 34.50 30.81 5pgm s PRO 210 CO -0.08 -0.82 0.16 -1.17 -0.33 0.00 0.00 177.00 174.76 5pgm s LEU 211 N 2.47 3.91 -0.18 -5.54 0.20 0.45 -1.14 118.68 118.85 5pgm s LEU 211 Ca 0.80 -0.04 -0.07 0.00 0.69 0.00 0.00 54.13 55.51 5pgm s LEU 211 Cb -0.46 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.18 5pgm s LEU 211 CO 0.36 -0.04 0.06 -0.69 -0.29 0.00 0.00 176.35 175.75 5pgm s VAL 212 N 1.66 4.73 -0.17 1.68 1.01 0.11 0.13 120.40 129.55 5pgm s VAL 212 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 5pgm s VAL 212 Cb -0.16 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.10 5pgm s VAL 212 CO 0.09 0.47 -0.16 -0.36 0.00 0.00 0.00 175.10 175.14 5pgm s PHE 213 N 0.33 2.79 -0.37 5.22 0.40 0.15 -1.69 117.98 124.82 5pgm s PHE 213 Ca 0.03 -1.26 -0.15 0.00 -0.60 0.00 0.00 56.93 54.95 5pgm s PHE 213 Cb -0.12 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 5pgm s PHE 213 CO 0.00 -0.61 0.34 -1.21 0.70 0.00 0.00 175.22 174.45 5pgm s GLU 214 N 1.06 3.38 0.18 0.44 2.02 -1.26 -0.51 118.70 124.01 5pgm s GLU 214 Ca -0.01 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.43 5pgm s GLU 214 Cb -0.14 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 5pgm s GLU 214 CO -0.05 -0.60 0.12 -0.51 0.02 0.00 0.00 175.26 174.25 5pgm s LEU 215 N 1.93 3.74 0.00 1.80 1.43 -0.04 -0.65 118.68 126.89 5pgm s LEU 215 Ca 0.10 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 5pgm s LEU 215 Cb -0.17 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.77 5pgm s LEU 215 CO 0.12 0.06 0.43 -0.90 0.23 0.00 0.00 176.35 176.28 5pgm n ASP 216 N -0.41 0.75 0.33 2.29 5.68 -0.22 -1.78 116.55 123.19 5pgm n ASP 216 Ca -0.08 -1.59 0.22 0.00 -0.50 0.00 0.00 54.79 52.83 5pgm n ASP 216 Cb 0.55 -0.26 1.17 0.00 -1.14 0.00 0.00 41.12 41.44 5pgm n ASP 216 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 5pgm h GLU 217 N 0.00 0.00 -0.59 0.11 9.09 -1.99 0.05 114.58 121.26 5pgm h GLU 217 Ca -0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.27 5pgm h GLU 217 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 5pgm h GLU 217 CO 0.17 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.32 5pgm n ASN 218 N -3.13 3.28 -3.01 3.06 3.02 -1.26 -4.90 115.26 112.32 5pgm n ASN 218 Ca -0.03 -2.10 -0.21 0.00 -0.03 0.00 0.00 54.58 52.21 5pgm n ASN 218 Cb 0.09 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.07 -2.89 -4.49 3.41 4.77 0.01 -5.02 117.00 113.85 5pgm n LEU 219 Ca 0.19 -0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 5pgm n LEU 219 Cb 0.55 -2.79 -0.13 0.00 -2.33 0.00 0.00 43.42 38.72 5pgm n LEU 219 CO 0.15 0.38 -0.44 -0.75 -1.33 0.00 0.00 177.39 175.40 5pgm s LYS 220 N -5.86 2.63 -0.15 3.23 2.20 -1.25 -4.80 119.74 115.74 5pgm s LYS 220 Ca 0.39 -0.67 -0.40 0.00 -0.36 0.00 0.00 55.97 54.94 5pgm s LYS 220 Cb -0.17 -2.44 -0.17 0.00 -1.51 0.00 0.00 37.83 33.54 5pgm s LYS 220 CO 0.48 0.59 1.53 -2.30 -0.36 0.00 0.00 175.35 175.29 5pgm n PRO 221 N 2.40 0.92 0.01 4.03 -0.02 -1.26 -1.06 135.00 140.03 5pgm n PRO 221 Ca -0.17 0.34 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 5pgm n PRO 221 Cb 0.52 -1.97 0.32 0.00 -0.02 0.00 0.00 33.50 32.36 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 3.88 0.43 -3.58 2.55 3.41 0.17 -4.80 113.62 115.69 5pgm n SER 222 Ca 0.24 -0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.78 5pgm n SER 222 Cb 0.13 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 -3.03 0.76 0.30 4.33 -2.85 -1.26 -5.07 119.74 112.92 5pgm s LYS 223 Ca 0.11 -0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.47 5pgm s LYS 223 Cb 0.17 0.32 -0.14 0.00 -2.06 0.00 0.00 37.83 36.12 5pgm s LYS 223 CO 0.66 -0.34 1.03 -2.30 0.10 0.00 0.00 175.35 174.51 5pgm n PRO 224 N -0.28 1.42 -0.91 1.78 -0.02 -1.26 -4.66 135.00 131.07 5pgm n PRO 224 Ca -0.06 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.60 5pgm n PRO 224 Cb 0.61 -1.89 0.14 0.00 -0.02 0.00 0.00 33.50 32.34 5pgm n PRO 224 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 5pgm s SER 225 N -0.54 3.40 -0.10 2.55 1.04 -1.26 -4.84 113.70 113.94 5pgm s SER 225 Ca 0.58 2.00 -0.09 0.00 0.48 0.00 0.00 55.95 58.92 5pgm s SER 225 Cb -0.69 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 62.94 5pgm s SER 225 CO 0.60 -2.77 0.26 -0.72 0.98 0.00 0.00 173.24 171.59 5pgm s TYR 226 N -2.74 -0.29 0.31 5.02 -0.85 -0.68 -4.97 117.35 113.14 5pgm s TYR 226 Ca 0.65 0.70 -0.11 0.00 -0.52 0.00 0.00 57.07 57.79 5pgm s TYR 226 Cb -0.21 0.10 -0.07 0.00 0.38 0.00 0.00 41.96 42.16 5pgm s TYR 226 CO 0.58 -0.14 0.67 0.71 -1.52 0.00 0.00 175.55 175.84 5pgm s TYR 227 N 0.16 3.42 -0.46 -3.49 2.02 -1.26 0.04 117.35 117.79 5pgm s TYR 227 Ca -0.00 1.01 0.26 0.00 -0.37 0.00 0.00 57.07 57.97 5pgm s TYR 227 Cb -0.02 -2.39 0.95 0.00 -0.40 0.00 0.00 41.96 40.10 5pgm s TYR 227 CO 0.00 0.11 1.76 -0.07 -1.57 0.00 0.00 175.55 175.79 5pgm h LEU 228 N 2.06 0.00 -6.83 -1.29 3.38 -1.46 -3.29 115.31 107.88 5pgm h LEU 228 Ca -0.47 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.89 5pgm h LEU 228 Cb 1.18 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.53 5pgm h LEU 228 CO 0.66 0.00 -0.77 -0.62 0.09 0.00 0.00 178.44 177.81 5pgm s ASP 229 N -4.67 3.32 0.18 -0.43 -1.08 -1.26 -4.99 116.67 107.74 5pgm s ASP 229 Ca 0.06 -3.00 -0.13 0.00 -0.52 0.00 0.00 52.55 48.96 5pgm s ASP 229 Cb 0.10 -0.99 0.15 0.00 -1.46 0.00 0.00 42.92 40.72 5pgm s ASP 229 CO 0.49 -0.20 1.77 -0.65 0.52 0.00 0.00 175.17 177.10 5pgm h PRO 230 N 6.16 0.45 -0.50 4.34 0.11 -1.98 -1.54 132.00 139.03 5pgm h PRO 230 Ca 0.10 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 5pgm h PRO 230 Cb 0.89 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 5pgm h PRO 230 CO 0.50 0.30 0.21 0.93 -0.21 0.00 0.00 178.00 179.72 5pgm h GLU 231 N 0.46 0.72 0.00 1.05 4.39 -1.94 -2.02 114.58 117.24 5pgm h GLU 231 Ca 0.23 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.83 5pgm h GLU 231 Cb 0.17 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 5pgm h GLU 231 CO -0.18 0.59 -0.24 0.00 -1.16 0.00 0.00 179.01 178.01 5pgm n ALA 232 N -2.46 2.66 0.05 3.43 0.00 -1.09 -3.58 120.51 119.51 5pgm n ALA 232 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 5pgm n ALA 232 Cb 0.15 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 5pgm n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5pgm h ALA 233 N 2.72 0.39 -0.03 0.00 0.00 -0.57 -3.50 119.26 118.27 5pgm h ALA 233 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 5pgm h ALA 233 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 5pgm h ALA 233 CO 0.00 1.27 0.00 0.00 0.00 0.00 0.00 179.25 180.52