#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pgm s LYS 2 N 0.00 1.96 0.02 -0.52 2.20 -1.26 -0.66 119.74 121.48 4pgm s LYS 2 Ca 0.00 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 4pgm s LYS 2 Cb 0.00 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.69 4pgm s LYS 2 CO 0.00 0.16 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.85 4pgm s LEU 3 N 0.31 2.10 -0.09 5.43 2.96 -0.71 -1.95 118.68 126.74 4pgm s LEU 3 Ca -0.10 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 4pgm s LEU 3 Cb -0.14 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 45.97 4pgm s LEU 3 CO 0.04 0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.37 4pgm s VAL 4 N -0.60 1.03 -0.12 1.68 1.01 0.21 -1.36 120.40 122.26 4pgm s VAL 4 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 4pgm s VAL 4 Cb -0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 4pgm s VAL 4 CO 0.00 0.35 0.10 -0.76 0.00 0.00 0.00 175.10 174.80 4pgm s LEU 5 N 1.28 4.17 -0.09 3.92 1.02 0.16 -0.25 118.68 128.88 4pgm s LEU 5 Ca -0.03 0.36 -0.03 0.00 0.02 0.00 0.00 54.13 54.45 4pgm s LEU 5 Cb -0.14 -2.01 0.04 0.00 0.02 0.00 0.00 46.19 44.10 4pgm s LEU 5 CO -0.03 0.38 0.05 -0.69 0.02 0.00 0.00 176.35 176.08 4pgm s VAL 6 N -0.84 0.04 -0.21 -1.59 1.01 -0.61 -0.30 120.40 117.90 4pgm s VAL 6 Ca 0.14 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 4pgm s VAL 6 Cb -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 4pgm s VAL 6 CO 0.03 0.05 0.48 -0.60 0.00 0.00 0.00 175.10 175.06 4pgm s ARG 7 N 2.10 4.16 0.80 2.72 3.52 -1.26 -2.09 118.95 128.90 4pgm s ARG 7 Ca 0.04 0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.83 4pgm s ARG 7 Cb -0.13 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.76 4pgm s ARG 7 CO -0.05 -0.16 1.21 -3.38 -0.81 0.00 0.00 175.30 172.10 4pgm s HIS 8 N 1.69 1.79 0.21 5.12 -3.43 -1.17 -0.51 115.29 119.00 4pgm s HIS 8 Ca 0.22 1.67 -0.04 0.00 -0.80 0.00 0.00 55.06 56.11 4pgm s HIS 8 Cb -0.15 -3.50 0.05 0.00 -1.43 0.00 0.00 32.58 27.55 4pgm s HIS 8 CO 0.09 -2.88 0.20 0.41 -2.00 0.00 0.00 174.74 170.56 4pgm n GLY 9 N 0.52 -2.35 3.76 -1.38 0.00 -1.26 -4.53 105.19 99.94 4pgm n GLY 9 Ca 0.14 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 4pgm n GLY 9 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4pgm s GLN 10 N -3.45 3.36 0.25 1.61 -0.21 -1.26 -4.89 119.66 115.07 4pgm s GLN 10 Ca 0.13 1.99 -0.09 0.00 0.02 0.00 0.00 55.36 57.40 4pgm s GLN 10 Cb -0.01 -2.26 -0.07 0.00 1.00 0.00 0.00 33.01 31.67 4pgm s GLN 10 CO 0.10 -0.94 0.57 -1.54 -2.12 0.00 0.00 175.29 171.35 4pgm s SER 11 N -1.22 6.60 0.36 5.90 1.04 -1.26 -1.14 113.70 123.98 4pgm s SER 11 Ca 0.69 0.91 0.12 0.00 0.48 0.00 0.00 55.95 58.15 4pgm s SER 11 Cb -0.34 -2.22 0.91 0.00 0.10 0.00 0.00 66.02 64.46 4pgm s SER 11 CO 0.40 -0.11 1.82 -0.33 0.98 0.00 0.00 173.24 176.00 4pgm h GLU 12 N 2.32 0.58 0.00 4.02 5.08 -1.47 0.56 114.58 125.67 4pgm h GLU 12 Ca -0.47 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 4pgm h GLU 12 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 4pgm h GLU 12 CO 0.68 0.38 -0.47 -1.49 -1.00 0.00 0.00 179.01 177.12 4pgm h TRP 13 N 0.60 0.00 -0.37 4.33 4.06 -1.90 -2.96 115.95 119.71 4pgm h TRP 13 Ca 0.51 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.33 4pgm h TRP 13 Cb 1.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 4pgm h TRP 13 CO -0.00 0.47 -0.29 -0.97 -3.56 0.00 0.00 178.44 174.08 4pgm h ASN 14 N 0.00 0.83 0.62 -3.49 -0.73 -0.11 0.33 115.58 113.03 4pgm h ASN 14 Ca -0.00 -0.33 -0.05 0.00 1.87 0.00 0.00 56.30 57.79 4pgm h ASN 14 Cb 0.92 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 4pgm h ASN 14 CO 0.06 1.07 -0.22 -0.33 -0.37 0.00 0.00 177.43 177.64 4pgm h GLU 15 N 0.68 0.00 -0.52 6.67 5.08 -1.05 -2.58 114.58 122.87 4pgm h GLU 15 Ca 0.08 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 4pgm h GLU 15 Cb 0.83 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 4pgm h GLU 15 CO 0.07 0.22 0.10 0.36 -1.00 0.00 0.00 179.01 178.76 4pgm n LYS 16 N -3.58 3.54 -3.63 2.33 2.85 -1.09 -4.98 118.16 113.59 4pgm n LYS 16 Ca -0.01 -3.04 -0.25 0.00 -1.05 0.00 0.00 58.31 53.96 4pgm n LYS 16 Cb 0.36 -2.07 0.07 0.00 -0.65 0.00 0.00 35.03 32.74 4pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 4pgm n ASN 17 N -0.21 -6.22 -4.54 -5.58 4.05 -0.97 -4.92 115.26 96.87 4pgm n ASN 17 Ca 0.31 -0.57 -0.32 0.00 0.45 0.00 0.00 54.58 54.45 4pgm n ASN 17 Cb 1.16 -4.90 -0.11 0.00 1.23 0.00 0.00 39.78 37.16 4pgm n ASN 17 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 4pgm s LEU 18 N -7.31 2.98 -0.23 1.20 1.43 0.11 -0.79 118.68 116.07 4pgm s LEU 18 Ca 0.60 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.23 4pgm s LEU 18 Cb -0.27 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 4pgm s LEU 18 CO 0.74 0.31 1.25 -0.36 0.23 0.00 0.00 176.35 178.51 4pgm s PHE 19 N -0.89 2.85 -0.14 0.29 0.08 -0.62 -4.26 117.98 115.29 4pgm s PHE 19 Ca 0.15 1.01 -0.11 0.00 0.12 0.00 0.00 56.93 58.10 4pgm s PHE 19 Cb -0.11 -3.63 -0.08 0.00 -0.57 0.00 0.00 43.02 38.63 4pgm s PHE 19 CO 0.05 -1.54 0.08 1.79 -0.10 0.00 0.00 175.22 175.49 4pgm h THR 20 N 5.67 0.40 0.00 0.64 1.35 -1.92 0.23 112.91 119.29 4pgm h THR 20 Ca -0.25 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 4pgm h THR 20 Cb 1.09 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 4pgm h THR 20 CO 1.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 4pgm n GLY 21 N 1.64 3.04 0.12 5.82 0.00 -1.26 -1.67 105.19 112.87 4pgm n GLY 21 Ca -0.10 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.77 4pgm n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 4pgm n TRP 22 N 13.79 0.03 -2.00 1.61 7.02 -1.26 -4.75 117.44 131.87 4pgm n TRP 22 Ca 0.00 -0.01 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 4pgm n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 4pgm n TRP 22 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 4pgm s VAL 23 N -1.97 2.71 -1.48 -0.99 1.01 -0.67 -4.88 120.40 114.13 4pgm s VAL 23 Ca 0.35 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 4pgm s VAL 23 Cb 0.17 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.21 4pgm s VAL 23 CO 0.28 0.07 2.47 -0.67 0.00 0.00 0.00 175.10 177.25 4pgm n ASP 24 N 3.03 6.43 -4.87 3.32 2.03 -1.26 -4.95 116.55 120.29 4pgm n ASP 24 Ca 0.10 -2.82 -0.31 0.00 0.52 0.00 0.00 54.79 52.28 4pgm n ASP 24 Cb 0.40 -1.56 -0.01 0.00 -0.72 0.00 0.00 41.12 39.23 4pgm n ASP 24 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 4pgm s VAL 25 N 1.82 4.71 0.49 5.18 -7.23 -1.26 -4.91 120.40 119.19 4pgm s VAL 25 Ca 0.55 0.82 0.08 0.00 -1.81 0.00 0.00 61.98 61.62 4pgm s VAL 25 Cb 0.15 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.31 4pgm s VAL 25 CO -0.07 -0.88 0.53 -1.59 -0.31 0.00 0.00 175.10 172.78 4pgm s LYS 26 N -4.61 2.47 0.70 4.82 -2.85 -1.26 -3.76 119.74 115.26 4pgm s LYS 26 Ca 0.54 -1.61 -0.16 0.00 -1.00 0.00 0.00 55.97 53.74 4pgm s LYS 26 Cb -0.10 -2.46 0.02 0.00 -2.06 0.00 0.00 37.83 33.23 4pgm s LYS 26 CO 0.43 -0.47 1.20 -1.17 0.10 0.00 0.00 175.35 175.44 4pgm s LEU 27 N -4.34 3.39 0.59 2.77 2.96 -1.26 -1.47 118.68 121.31 4pgm s LEU 27 Ca 0.50 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.73 4pgm s LEU 27 Cb -0.05 -4.59 0.04 0.00 0.50 0.00 0.00 46.19 42.09 4pgm s LEU 27 CO 0.30 -2.08 0.83 -0.94 -1.32 0.00 0.00 176.35 173.14 4pgm s SER 28 N -2.00 5.18 0.24 3.68 1.04 -0.30 -4.45 113.70 117.09 4pgm s SER 28 Ca 0.74 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 57.23 4pgm s SER 28 Cb -0.29 -0.96 0.33 0.00 0.10 0.00 0.00 66.02 65.20 4pgm s SER 28 CO 0.43 -1.24 1.84 0.00 0.98 0.00 0.00 173.24 175.24 4pgm h ALA 29 N -0.09 1.13 0.00 5.32 0.00 -1.97 -0.60 119.26 123.04 4pgm h ALA 29 Ca -0.43 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 4pgm h ALA 29 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 4pgm h ALA 29 CO 0.54 0.21 -0.66 1.57 0.00 0.00 0.00 179.25 180.91 4pgm h LYS 30 N 0.89 0.00 -0.46 0.00 -0.00 -1.94 -2.72 116.57 112.34 4pgm h LYS 30 Ca 0.36 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 61.08 4pgm h LYS 30 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.38 4pgm h LYS 30 CO -0.19 0.66 0.15 0.78 -0.00 0.00 0.00 179.45 180.85 4pgm h GLY 31 N 2.65 0.59 1.54 0.07 0.00 -1.39 -0.13 103.07 106.40 4pgm h GLY 31 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 4pgm h GLY 31 CO 0.09 0.01 0.13 1.46 0.00 0.00 0.00 176.54 178.22 4pgm h GLN 32 N 0.32 0.59 -0.30 4.80 4.20 -1.00 -2.14 115.11 121.58 4pgm h GLN 32 Ca 0.22 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 4pgm h GLN 32 Cb 0.23 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 4pgm h GLN 32 CO -0.23 0.52 -0.50 1.96 -0.67 0.00 0.00 178.83 179.91 4pgm h GLN 33 N 0.59 0.84 -0.47 1.46 4.20 -1.01 -2.65 115.11 118.07 4pgm h GLN 33 Ca 0.14 -0.50 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 4pgm h GLN 33 Cb 0.18 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 4pgm h GLN 33 CO -0.01 1.14 0.07 0.93 -0.67 0.00 0.00 178.83 180.29 4pgm h GLU 34 N 0.66 0.72 -0.27 1.46 5.08 -0.52 -0.19 114.58 121.53 4pgm h GLU 34 Ca 0.03 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 4pgm h GLU 34 Cb 1.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 4pgm h GLU 34 CO 0.11 0.69 0.12 0.00 -1.00 0.00 0.00 179.01 178.92 4pgm h ALA 35 N 1.39 0.31 -0.49 3.43 0.00 -1.20 0.90 119.26 123.60 4pgm h ALA 35 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 4pgm h ALA 35 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 4pgm h ALA 35 CO 0.00 -0.29 0.32 0.00 0.00 0.00 0.00 179.25 179.29 4pgm h ALA 36 N 1.15 0.62 -0.62 0.00 0.00 -1.09 0.10 119.26 119.43 4pgm h ALA 36 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 4pgm h ALA 36 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 4pgm h ALA 36 CO -0.09 0.05 0.39 -0.09 0.00 0.00 0.00 179.25 179.50 4pgm h ARG 37 N 0.64 0.74 -0.01 0.00 9.65 -0.00 0.38 114.38 125.77 4pgm h ARG 37 Ca 0.18 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 4pgm h ARG 37 Cb -0.05 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.36 4pgm h ARG 37 CO -0.05 0.49 0.01 0.00 2.80 0.00 0.00 179.97 183.21 4pgm h ALA 38 N 1.26 0.02 -0.86 2.80 0.00 0.17 0.30 119.26 122.96 4pgm h ALA 38 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 4pgm h ALA 38 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 4pgm h ALA 38 CO -0.10 -0.41 0.49 0.78 0.00 0.00 0.00 179.25 180.01 4pgm h GLY 39 N -0.12 1.26 0.61 0.00 0.00 -0.33 -0.07 103.07 104.43 4pgm h GLY 39 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.83 4pgm h GLY 39 CO -0.00 0.53 0.04 -2.09 0.00 0.00 0.00 176.54 175.02 4pgm h GLU 40 N 1.19 0.14 -0.66 4.80 4.57 0.08 -1.45 114.58 123.25 4pgm h GLU 40 Ca 0.30 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 4pgm h GLU 40 Cb -0.01 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 4pgm h GLU 40 CO -0.05 0.09 0.16 1.25 -1.18 0.00 0.00 179.01 179.28 4pgm h LEU 41 N 0.15 0.98 -0.45 1.64 5.85 -0.35 -0.39 115.31 122.75 4pgm h LEU 41 Ca 0.14 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.69 4pgm h LEU 41 Cb 0.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 4pgm h LEU 41 CO -0.20 0.95 0.25 0.25 -0.34 0.00 0.00 178.44 179.34 4pgm h LEU 42 N 0.99 0.38 0.02 2.25 5.85 -0.32 -0.65 115.31 123.84 4pgm h LEU 42 Ca 0.21 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 4pgm h LEU 42 Cb 0.35 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.31 4pgm h LEU 42 CO 0.00 0.27 -0.01 0.50 -0.34 0.00 0.00 178.44 178.86 4pgm h LYS 43 N 0.49 -0.03 -0.52 1.25 3.64 -0.97 -1.95 116.57 118.48 4pgm h LYS 43 Ca 0.19 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 4pgm h LYS 43 Cb 0.05 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 4pgm h LYS 43 CO -0.11 0.41 -0.01 1.49 -2.27 0.00 0.00 179.45 178.97 4pgm h GLU 44 N -0.48 0.10 -0.09 1.90 4.81 -0.93 -1.68 114.58 118.20 4pgm h GLU 44 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 4pgm h GLU 44 Cb 0.46 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 4pgm h GLU 44 CO 0.01 0.07 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 4pgm n LYS 45 N -5.25 1.29 -3.56 1.92 4.76 -0.26 -4.93 118.16 112.12 4pgm n LYS 45 Ca 0.06 -0.45 -0.20 0.00 -2.87 0.00 0.00 58.31 54.85 4pgm n LYS 45 Cb 0.29 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.31 4pgm n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 4pgm n LYS 46 N -0.26 -6.40 -3.91 1.97 5.02 -0.63 -5.00 118.16 108.94 4pgm n LYS 46 Ca 0.11 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.82 4pgm n LYS 46 Cb 0.14 -5.68 -0.14 0.00 -0.02 0.00 0.00 35.03 29.34 4pgm n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 4pgm s VAL 47 N -3.42 3.01 -0.46 -0.18 1.01 -0.75 -5.07 120.40 114.55 4pgm s VAL 47 Ca 0.17 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 4pgm s VAL 47 Cb -0.08 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.74 4pgm s VAL 47 CO 0.76 -0.04 0.26 -0.31 0.00 0.00 0.00 175.10 175.76 4pgm s TYR 48 N 1.28 3.54 0.42 5.22 2.02 -1.26 -4.60 117.35 123.97 4pgm s TYR 48 Ca -0.04 -2.52 -0.26 0.00 -0.37 0.00 0.00 57.07 53.88 4pgm s TYR 48 Cb -0.19 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.08 4pgm s TYR 48 CO -0.02 -0.94 1.37 -1.25 -1.57 0.00 0.00 175.55 173.14 4pgm s PRO 49 N 0.83 3.89 0.07 -1.71 0.04 -1.26 -4.74 135.00 132.11 4pgm s PRO 49 Ca 0.10 2.29 0.21 0.00 0.04 0.00 0.00 61.00 63.65 4pgm s PRO 49 Cb -0.22 -2.75 -0.16 0.00 0.04 0.00 0.00 34.50 31.41 4pgm s PRO 49 CO -0.04 -0.61 0.75 -0.25 0.04 0.00 0.00 177.00 176.89 4pgm n ASP 50 N 0.06 0.50 -4.02 6.66 8.00 0.98 -4.95 116.55 123.77 4pgm n ASP 50 Ca 0.04 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.66 4pgm n ASP 50 Cb 0.42 0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 42.41 4pgm n ASP 50 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4pgm s VAL 51 N -3.29 0.17 -0.03 2.53 1.01 -1.12 -4.17 120.40 115.49 4pgm s VAL 51 Ca -0.04 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.62 4pgm s VAL 51 Cb 0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 4pgm s VAL 51 CO 0.84 -0.75 -0.17 -0.22 0.00 0.00 0.00 175.10 174.79 4pgm s LEU 52 N -2.27 1.96 -0.04 3.92 2.96 0.21 -2.25 118.68 123.16 4pgm s LEU 52 Ca -0.03 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 4pgm s LEU 52 Cb 0.00 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 4pgm s LEU 52 CO -0.06 0.18 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.65 4pgm s TYR 53 N -0.12 1.84 0.09 5.38 2.02 -0.04 -1.49 117.35 125.03 4pgm s TYR 53 Ca -0.00 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 4pgm s TYR 53 Cb -0.10 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 4pgm s TYR 53 CO 0.01 -0.16 0.03 0.95 -1.57 0.00 0.00 175.55 174.81 4pgm s THR 54 N -0.06 0.16 0.00 -0.71 -4.23 -0.50 -1.11 115.64 109.19 4pgm s THR 54 Ca -0.02 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 4pgm s THR 54 Cb -0.11 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.96 4pgm s THR 54 CO 0.02 -0.71 0.00 -1.54 -0.54 0.00 0.00 174.62 171.85 4pgm n SER 55 N -0.00 -0.19 -1.29 3.99 3.41 -1.23 -0.94 113.62 117.37 4pgm n SER 55 Ca -0.10 -0.62 0.11 0.00 -0.26 0.00 0.00 58.87 58.00 4pgm n SER 55 Cb 0.62 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.88 4pgm n SER 55 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 4pgm n LYS 56 N -0.81 2.73 -3.39 4.33 5.02 -1.24 -4.26 118.16 120.53 4pgm n LYS 56 Ca 0.00 -2.60 -0.39 0.00 -2.02 0.00 0.00 58.31 53.30 4pgm n LYS 56 Cb 0.00 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 4pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4pgm s LEU 57 N -1.03 4.04 0.48 -0.35 1.43 -1.26 -4.98 118.68 117.01 4pgm s LEU 57 Ca 0.47 0.29 0.32 0.00 -1.03 0.00 0.00 54.13 54.17 4pgm s LEU 57 Cb 0.24 -2.43 1.42 0.00 0.03 0.00 0.00 46.19 45.45 4pgm s LEU 57 CO 0.32 -0.19 1.74 0.28 0.23 0.00 0.00 176.35 178.73 4pgm h SER 58 N 8.17 0.18 0.26 2.29 0.02 -1.91 -0.66 113.55 121.90 4pgm h SER 58 Ca -0.31 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 4pgm h SER 58 Cb 1.16 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 4pgm h SER 58 CO 0.65 -0.01 -0.24 0.08 -1.14 0.00 0.00 176.83 176.17 4pgm h ARG 59 N 0.13 0.00 0.07 3.45 0.11 -1.92 -0.52 114.38 115.71 4pgm h ARG 59 Ca 0.66 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.57 4pgm h ARG 59 Cb 2.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.34 4pgm h ARG 59 CO -0.17 0.24 -0.86 0.00 0.10 0.00 0.00 179.97 179.28 4pgm h ALA 60 N 1.76 0.09 -0.67 0.08 0.00 -1.46 -3.21 119.26 115.84 4pgm h ALA 60 Ca -0.00 -0.86 0.06 0.00 0.00 0.00 0.00 54.91 54.10 4pgm h ALA 60 Cb 0.43 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 4pgm h ALA 60 CO 0.03 0.47 0.38 0.82 0.00 0.00 0.00 179.25 180.95 4pgm h ILE 61 N -0.65 0.97 -0.26 0.00 2.04 -1.39 -1.37 117.51 116.86 4pgm h ILE 61 Ca -0.19 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.46 4pgm h ILE 61 Cb 1.43 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 4pgm h ILE 61 CO 0.01 0.13 0.05 1.56 0.00 0.00 0.00 178.15 179.90 4pgm h GLN 62 N 0.70 0.15 0.00 2.37 4.20 -1.23 -0.51 115.11 120.79 4pgm h GLN 62 Ca 0.30 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.03 4pgm h GLN 62 Cb 0.18 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 4pgm h GLN 62 CO -0.18 0.10 -0.27 1.15 -0.67 0.00 0.00 178.83 178.95 4pgm h THR 63 N 0.15 0.39 -0.61 -0.54 2.02 -1.41 0.93 112.91 113.83 4pgm h THR 63 Ca 0.12 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.41 4pgm h THR 63 Cb 0.12 0.39 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 4pgm h THR 63 CO -0.15 0.00 0.15 0.00 0.37 0.00 0.00 175.52 175.89 4pgm h ALA 64 N 0.38 0.75 0.36 6.16 0.00 -0.88 0.57 119.26 126.59 4pgm h ALA 64 Ca 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 4pgm h ALA 64 Cb 0.50 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 4pgm h ALA 64 CO -0.23 -0.29 -0.17 -0.91 0.00 0.00 0.00 179.25 177.64 4pgm h ASN 65 N 0.29 -0.41 -0.53 0.00 -0.26 -0.46 0.14 115.58 114.34 4pgm h ASN 65 Ca 0.32 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 4pgm h ASN 65 Cb 0.47 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 4pgm h ASN 65 CO -0.39 -0.16 0.30 0.40 -1.06 0.00 0.00 177.43 176.52 4pgm h ILE 66 N -0.65 1.17 -0.20 2.81 2.04 -0.66 -0.47 117.51 121.54 4pgm h ILE 66 Ca -0.05 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 4pgm h ILE 66 Cb 0.47 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 4pgm h ILE 66 CO 0.08 0.19 -0.20 0.00 0.00 0.00 0.00 178.15 178.22 4pgm h ALA 67 N 1.57 0.30 -0.43 1.87 0.00 -0.72 -2.80 119.26 119.04 4pgm h ALA 67 Ca 0.20 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 4pgm h ALA 67 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 4pgm h ALA 67 CO -0.03 0.23 -0.18 -0.07 0.00 0.00 0.00 179.25 179.20 4pgm h LEU 68 N 0.17 0.85 -0.02 0.00 -0.00 -0.37 -1.15 115.31 114.79 4pgm h LEU 68 Ca 0.03 -0.29 0.03 0.00 -0.00 0.00 0.00 57.88 57.65 4pgm h LEU 68 Cb 0.74 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 4pgm h LEU 68 CO 0.05 1.01 -0.21 -0.08 -0.00 0.00 0.00 178.44 179.22 4pgm h GLU 69 N 0.74 -0.31 -0.22 1.13 4.22 -1.08 0.16 114.58 119.21 4pgm h GLU 69 Ca 0.11 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 4pgm h GLU 69 Cb 0.70 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 4pgm h GLU 69 CO 0.05 -0.21 0.01 0.87 -2.18 0.00 0.00 179.01 177.56 4pgm h LYS 70 N -0.32 0.32 0.00 1.92 1.79 -1.43 -1.49 116.57 117.36 4pgm h LYS 70 Ca 0.06 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 4pgm h LYS 70 Cb 0.41 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 4pgm h LYS 70 CO -0.20 0.34 -0.00 0.00 -1.08 0.00 0.00 179.45 178.50 4pgm n ALA 71 N -2.49 2.32 -2.81 3.86 0.00 -0.44 -4.67 120.51 116.26 4pgm n ALA 71 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 4pgm n ALA 71 Cb 0.18 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.19 4pgm n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 4pgm n ASP 72 N -1.72 -4.06 -2.76 0.00 8.00 0.46 -4.81 116.55 111.64 4pgm n ASP 72 Ca 0.07 -0.20 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 4pgm n ASP 72 Cb 0.37 -2.83 0.04 0.00 -0.02 0.00 0.00 41.12 38.68 4pgm n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4pgm n ARG 73 N -2.60 1.65 0.15 -1.24 1.74 -0.86 -4.88 116.66 110.62 4pgm n ARG 73 Ca -0.03 -3.47 0.02 0.00 -0.77 0.00 0.00 57.85 53.59 4pgm n ARG 73 Cb 0.55 -1.54 0.36 0.00 -1.02 0.00 0.00 32.46 30.82 4pgm n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 4pgm h LEU 74 N 2.70 0.13 -0.12 0.55 4.07 -1.90 -3.11 115.31 117.64 4pgm h LEU 74 Ca -0.11 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.81 4pgm h LEU 74 Cb 1.25 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.95 4pgm h LEU 74 CO 0.29 0.40 0.00 -2.67 -1.08 0.00 0.00 178.44 175.38 4pgm n TRP 75 N -4.18 0.06 -1.72 1.13 4.27 -1.26 -4.84 117.44 110.89 4pgm n TRP 75 Ca -0.01 0.03 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 4pgm n TRP 75 Cb 0.34 -0.55 -0.01 0.00 -1.36 0.00 0.00 31.31 29.74 4pgm n TRP 75 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 4pgm n ILE 76 N -1.56 1.81 -2.07 -1.67 -0.00 -1.18 -4.96 119.36 109.72 4pgm n ILE 76 Ca 0.00 -0.45 -0.41 0.00 -0.00 0.00 0.00 62.75 61.89 4pgm n ILE 76 Cb 0.01 -1.72 -0.02 0.00 -0.00 0.00 0.00 39.64 37.91 4pgm n ILE 76 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 4pgm s PRO 77 N -1.68 4.32 -0.03 0.38 0.04 -1.26 -4.85 135.00 131.91 4pgm s PRO 77 Ca 0.57 2.26 0.06 0.00 0.04 0.00 0.00 61.00 63.92 4pgm s PRO 77 Cb -0.54 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 4pgm s PRO 77 CO 0.60 -0.26 -0.20 0.08 0.04 0.00 0.00 177.00 177.26 4pgm s VAL 78 N -0.89 1.64 0.02 -0.36 1.01 -1.26 -0.62 120.40 119.94 4pgm s VAL 78 Ca 0.51 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.65 4pgm s VAL 78 Cb -0.41 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 4pgm s VAL 78 CO 0.52 0.47 -0.08 0.20 0.00 0.00 0.00 175.10 176.20 4pgm s ASN 79 N -0.31 0.91 0.09 3.32 -0.87 -0.56 -4.99 114.94 112.53 4pgm s ASN 79 Ca 0.03 -0.32 0.08 0.00 -1.57 0.00 0.00 52.86 51.09 4pgm s ASN 79 Cb -0.10 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.25 41.06 4pgm s ASN 79 CO 0.01 -0.03 -0.21 -0.13 -2.57 0.00 0.00 177.10 174.17 4pgm s ARG 80 N -0.79 1.18 -0.10 -0.60 0.52 -1.26 -1.41 118.95 116.50 4pgm s ARG 80 Ca -0.02 -1.13 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 4pgm s ARG 80 Cb -0.06 -1.42 0.03 0.00 0.52 0.00 0.00 34.95 34.02 4pgm s ARG 80 CO 0.00 0.34 0.25 0.45 0.02 0.00 0.00 175.30 176.36 4pgm s SER 81 N -1.78 -0.26 0.59 0.23 0.15 -0.11 -4.95 113.70 107.57 4pgm s SER 81 Ca 0.07 0.51 0.30 0.00 0.70 0.00 0.00 55.95 57.53 4pgm s SER 81 Cb -0.10 0.48 1.83 0.00 -1.71 0.00 0.00 66.02 66.52 4pgm s SER 81 CO 0.04 -0.11 2.25 4.11 1.20 0.00 0.00 173.24 180.72 4pgm h TRP 82 N 6.26 0.00 0.00 3.44 5.08 -1.91 -1.89 115.95 126.93 4pgm h TRP 82 Ca -0.31 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.66 4pgm h TRP 82 Cb 1.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 4pgm h TRP 82 CO 0.39 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 177.53 4pgm h ARG 83 N 0.00 0.00 -0.54 0.12 3.08 -1.94 -2.29 114.38 112.81 4pgm h ARG 83 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 4pgm h ARG 83 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 4pgm h ARG 83 CO -0.00 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 4pgm n LEU 84 N -3.16 3.65 -4.57 3.04 4.77 -0.71 -4.06 117.00 115.96 4pgm n LEU 84 Ca -0.01 -1.69 -0.29 0.00 -0.03 0.00 0.00 56.01 53.99 4pgm n LEU 84 Cb 0.21 -0.35 0.22 0.00 -2.33 0.00 0.00 43.42 41.17 4pgm n LEU 84 CO 0.25 0.84 0.57 0.20 -1.33 0.00 0.00 177.39 177.93 4pgm s ASN 85 N -1.28 1.69 0.96 -1.43 -0.87 -0.86 -4.32 114.94 108.83 4pgm s ASN 85 Ca 0.43 1.44 -0.12 0.00 -1.57 0.00 0.00 52.86 53.04 4pgm s ASN 85 Cb 0.24 -2.17 0.16 0.00 -0.02 0.00 0.00 41.25 39.47 4pgm s ASN 85 CO 0.32 -3.75 1.11 -0.70 -2.57 0.00 0.00 177.10 171.52 4pgm s GLU 86 N -4.65 0.77 0.16 -0.60 2.56 -1.26 -4.26 118.70 111.41 4pgm s GLU 86 Ca 0.67 0.43 -0.30 0.00 0.00 0.00 0.00 54.97 55.76 4pgm s GLU 86 Cb -0.22 -1.78 -0.08 0.00 2.00 0.00 0.00 34.13 34.04 4pgm s GLU 86 CO 0.62 -2.48 1.28 0.50 -0.56 0.00 0.00 175.26 174.62 4pgm s ARG 87 N -5.10 4.41 0.10 4.30 3.52 -1.26 -4.75 118.95 120.17 4pgm s ARG 87 Ca 0.65 1.97 -0.31 0.00 -0.13 0.00 0.00 55.73 57.91 4pgm s ARG 87 Cb -0.17 -3.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.90 4pgm s ARG 87 CO 0.56 -0.25 1.42 -1.58 -0.81 0.00 0.00 175.30 174.63 4pgm s HIS 88 N 0.41 3.15 -0.28 5.12 5.65 -1.26 -4.14 115.29 123.94 4pgm s HIS 88 Ca 0.58 0.88 0.02 0.00 0.25 0.00 0.00 55.06 56.79 4pgm s HIS 88 Cb -0.35 -3.71 0.37 0.00 -1.18 0.00 0.00 32.58 27.71 4pgm s HIS 88 CO 0.35 -2.54 1.61 0.66 -0.65 0.00 0.00 174.74 174.17 4pgm n TYR 89 N 4.18 1.79 0.00 3.88 4.01 -1.26 -1.48 117.16 128.28 4pgm n TYR 89 Ca 0.12 -1.42 0.00 0.00 -0.16 0.00 0.00 57.90 56.44 4pgm n TYR 89 Cb 0.42 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 4pgm n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4pgm n GLY 90 N -0.36 0.88 0.24 2.72 0.00 -1.26 -1.23 105.19 106.18 4pgm n GLY 90 Ca 0.35 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 46.14 4pgm n GLY 90 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 4pgm h ASP 91 N 0.00 0.00 0.65 1.61 3.58 -0.83 -2.20 116.42 119.23 4pgm h ASP 91 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 4pgm h ASP 91 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 4pgm h ASP 91 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 4pgm n LEU 92 N -2.65 0.58 -4.68 2.28 4.32 -0.36 -4.82 117.00 111.67 4pgm n LEU 92 Ca -0.01 0.65 -0.42 0.00 -0.02 0.00 0.00 56.01 56.21 4pgm n LEU 92 Cb 0.10 -0.58 -0.03 0.00 -1.62 0.00 0.00 43.42 41.29 4pgm n LEU 92 CO 0.16 -0.55 1.52 -1.10 -1.22 0.00 0.00 177.39 176.20 4pgm s GLN 93 N -3.29 4.14 0.00 3.23 -0.21 -0.83 -2.08 119.66 120.62 4pgm s GLN 93 Ca 0.04 2.57 0.00 0.00 0.02 0.00 0.00 55.36 57.99 4pgm s GLN 93 Cb 0.09 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 30.23 4pgm s GLN 93 CO 0.36 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 173.05 4pgm n GLY 94 N 4.36 0.77 3.89 3.09 0.00 0.81 -4.83 105.19 113.28 4pgm n GLY 94 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 4pgm n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pgm s LYS 95 N -0.37 3.51 0.23 1.61 1.02 -0.88 -4.74 119.74 120.12 4pgm s LYS 95 Ca 0.00 -0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 4pgm s LYS 95 Cb 0.00 -3.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.10 4pgm s LYS 95 CO 0.00 0.67 1.65 0.34 -0.92 0.00 0.00 175.35 177.09 4pgm s ASP 96 N -1.76 6.42 0.18 2.83 -1.08 -1.26 -1.59 116.67 120.41 4pgm s ASP 96 Ca 0.27 2.85 -0.00 0.00 -0.52 0.00 0.00 52.55 55.14 4pgm s ASP 96 Cb -0.13 -2.61 0.08 0.00 -1.46 0.00 0.00 42.92 38.80 4pgm s ASP 96 CO 0.16 -0.92 1.45 0.11 0.52 0.00 0.00 175.17 176.49 4pgm h LYS 97 N 6.10 0.37 -0.13 4.34 1.57 -1.32 0.93 116.57 128.43 4pgm h LYS 97 Ca -0.44 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 57.97 4pgm h LYS 97 Cb 1.21 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 4pgm h LYS 97 CO 0.89 0.94 -0.18 0.00 -0.57 0.00 0.00 179.45 180.53 4pgm h ALA 98 N 0.97 0.20 -0.31 3.86 0.00 -1.92 -2.23 119.26 119.83 4pgm h ALA 98 Ca -0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 4pgm h ALA 98 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 4pgm h ALA 98 CO 0.12 0.11 -0.05 0.93 0.00 0.00 0.00 179.25 180.36 4pgm h GLU 99 N -0.05 0.49 0.00 0.00 5.08 -1.93 -1.29 114.58 116.88 4pgm h GLU 99 Ca 0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 4pgm h GLU 99 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 4pgm h GLU 99 CO 0.04 0.56 -0.35 1.15 -1.00 0.00 0.00 179.01 179.41 4pgm h THR 100 N 0.47 0.76 0.00 1.13 2.02 -0.81 -1.84 112.91 114.64 4pgm h THR 100 Ca 0.10 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 4pgm h THR 100 Cb 0.39 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 4pgm h THR 100 CO 0.02 0.34 -0.30 0.25 0.37 0.00 0.00 175.52 176.21 4pgm h LEU 101 N 0.00 0.00 0.00 2.58 5.85 -0.59 -2.51 115.31 120.64 4pgm h LEU 101 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 4pgm h LEU 101 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 4pgm h LEU 101 CO 0.05 0.30 -1.76 2.29 -0.34 0.00 0.00 178.44 178.97 4pgm n LYS 102 N -3.77 0.65 0.26 1.25 2.85 -1.09 -4.20 118.16 114.11 4pgm n LYS 102 Ca -0.01 -0.08 -0.13 0.00 -1.05 0.00 0.00 58.31 57.04 4pgm n LYS 102 Cb 0.39 -1.61 -0.07 0.00 -0.65 0.00 0.00 35.03 33.09 4pgm n LYS 102 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 4pgm h LYS 103 N 0.00 -0.68 0.00 -1.58 3.64 -1.17 -3.44 116.57 113.33 4pgm h LYS 103 Ca -0.06 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 4pgm h LYS 103 Cb 1.15 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.14 4pgm h LYS 103 CO 0.01 -0.40 0.02 1.19 -2.27 0.00 0.00 179.45 178.00 4pgm n PHE 104 N -5.26 -3.16 -4.42 1.91 3.72 -0.96 -5.11 117.46 104.18 4pgm n PHE 104 Ca -0.10 -0.47 -0.27 0.00 -0.05 0.00 0.00 57.45 56.56 4pgm n PHE 104 Cb 0.31 -0.17 -0.12 0.00 -0.94 0.00 0.00 39.48 38.56 4pgm n PHE 104 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 4pgm s GLY 105 N -2.97 1.68 0.11 1.37 0.00 -1.26 -4.68 107.32 101.57 4pgm s GLY 105 Ca 0.17 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.29 4pgm s GLY 105 CO 0.11 -1.64 0.55 1.18 0.00 0.00 0.00 173.10 173.30 4pgm n GLU 106 N 0.34 -0.03 0.46 2.90 -0.58 -1.26 0.41 120.64 122.88 4pgm n GLU 106 Ca -0.13 0.52 -0.19 0.00 -0.42 0.00 0.00 57.16 56.93 4pgm n GLU 106 Cb 0.56 -0.84 -0.09 0.00 -0.57 0.00 0.00 31.44 30.49 4pgm n GLU 106 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 4pgm h GLU 107 N 0.00 -1.11 0.00 3.49 4.11 -1.96 0.61 114.58 119.72 4pgm h GLU 107 Ca 0.23 0.08 -0.06 0.00 0.07 0.00 0.00 59.36 59.68 4pgm h GLU 107 Cb 0.50 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 4pgm h GLU 107 CO -0.32 -0.74 -0.28 -0.22 0.07 0.00 0.00 179.01 177.52 4pgm h LYS 108 N -1.19 0.00 0.19 1.06 3.64 -0.44 -1.96 116.57 117.88 4pgm h LYS 108 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 4pgm h LYS 108 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 4pgm h LYS 108 CO 0.19 0.28 -0.09 0.35 -2.27 0.00 0.00 179.45 177.91 4pgm h PHE 109 N 0.00 -0.24 0.00 1.91 3.57 -0.28 0.12 116.94 122.02 4pgm h PHE 109 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 4pgm h PHE 109 Cb 0.71 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.53 4pgm h PHE 109 CO 0.00 0.16 0.00 -1.71 -2.23 0.00 0.00 178.31 174.53 4pgm n ASN 110 N -4.99 0.53 -0.06 0.41 5.15 0.20 -0.30 115.26 116.20 4pgm n ASN 110 Ca -0.08 0.67 -0.04 0.00 -0.60 0.00 0.00 54.58 54.53 4pgm n ASN 110 Cb 0.26 -0.77 -0.03 0.00 -0.53 0.00 0.00 39.78 38.71 4pgm n ASN 110 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 4pgm h THR 111 N 0.00 0.40 0.00 -0.44 2.02 -1.12 0.26 112.91 114.02 4pgm h THR 111 Ca 0.00 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.87 4pgm h THR 111 Cb 0.20 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 4pgm h THR 111 CO 0.00 0.13 0.00 1.88 0.37 0.00 0.00 175.52 177.90 4pgm h TYR 112 N -1.00 0.00 0.00 3.16 0.05 -0.57 0.23 116.97 118.84 4pgm h TYR 112 Ca -0.01 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.39 4pgm h TYR 112 Cb 0.31 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.99 4pgm h TYR 112 CO 0.04 0.00 -2.27 0.54 -1.05 0.00 0.00 178.16 175.41 4pgm n ARG 113 N -2.32 0.48 -0.05 4.88 1.74 0.59 -4.32 116.66 117.66 4pgm n ARG 113 Ca -0.01 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 4pgm n ARG 113 Cb 0.09 -1.32 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 4pgm n ARG 113 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 4pgm n ARG 114 N -3.98 2.79 -2.16 5.56 5.12 0.88 -5.00 116.66 119.87 4pgm n ARG 114 Ca -0.45 -1.75 -0.42 0.00 -1.93 0.00 0.00 57.85 53.29 4pgm n ARG 114 Cb 0.82 -1.13 -0.03 0.00 -1.16 0.00 0.00 32.46 30.97 4pgm n ARG 114 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 4pgm s SER 115 N -1.23 6.78 0.44 0.55 0.15 0.06 -4.84 113.70 115.62 4pgm s SER 115 Ca 0.09 2.10 0.16 0.00 0.70 0.00 0.00 55.95 59.00 4pgm s SER 115 Cb 0.06 -2.54 1.08 0.00 -1.71 0.00 0.00 66.02 62.91 4pgm s SER 115 CO 0.03 -0.82 1.95 0.15 1.20 0.00 0.00 173.24 175.75 4pgm h PHE 116 N 8.64 0.41 0.00 3.44 3.57 -1.88 -3.24 116.94 127.89 4pgm h PHE 116 Ca -0.36 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.15 4pgm h PHE 116 Cb 1.16 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.77 4pgm h PHE 116 CO 0.82 0.17 0.00 -0.40 -2.23 0.00 0.00 178.31 176.67 4pgm n ASP 117 N -4.46 1.24 -4.16 0.41 5.68 -1.26 -1.32 116.55 112.68 4pgm n ASP 117 Ca 0.12 -1.61 -0.37 0.00 -0.50 0.00 0.00 54.79 52.43 4pgm n ASP 117 Cb 0.49 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.36 4pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 4pgm s VAL 118 N -0.61 3.45 0.66 2.12 1.01 -1.22 -4.94 120.40 120.86 4pgm s VAL 118 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 4pgm s VAL 118 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 4pgm s VAL 118 CO 0.00 -0.58 1.05 -2.16 0.00 0.00 0.00 175.10 173.41 4pgm s PRO 119 N 1.22 3.13 1.33 2.72 0.04 -1.26 -4.41 135.00 137.77 4pgm s PRO 119 Ca 0.05 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 4pgm s PRO 119 Cb -0.23 -2.02 0.34 0.00 0.04 0.00 0.00 34.50 32.64 4pgm s PRO 119 CO -0.03 -0.95 0.97 -2.14 0.04 0.00 0.00 177.00 174.90 4pgm s PRO 120 N -4.83 -2.25 0.74 0.56 0.02 -1.26 -4.87 135.00 123.11 4pgm s PRO 120 Ca 0.59 0.32 -0.12 0.00 0.02 0.00 0.00 61.00 61.81 4pgm s PRO 120 Cb -0.14 -1.44 0.04 0.00 0.02 0.00 0.00 34.50 32.98 4pgm s PRO 120 CO 0.50 -4.47 1.10 -2.14 -0.33 0.00 0.00 177.00 171.66 4pgm s PRO 121 N -4.91 2.42 0.30 5.54 0.02 -1.26 -4.79 135.00 132.32 4pgm s PRO 121 Ca 0.69 1.27 -0.29 0.00 0.02 0.00 0.00 61.00 62.68 4pgm s PRO 121 Cb -0.17 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 4pgm s PRO 121 CO 0.60 -1.53 1.35 -1.25 -0.33 0.00 0.00 177.00 175.83 4pgm s PRO 122 N -4.59 4.32 0.14 5.54 0.04 -1.26 -0.34 135.00 138.85 4pgm s PRO 122 Ca 0.64 2.24 -0.25 0.00 0.04 0.00 0.00 61.00 63.67 4pgm s PRO 122 Cb -0.19 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 4pgm s PRO 122 CO 0.51 -0.27 0.77 -1.50 0.04 0.00 0.00 177.00 176.55 4pgm s ILE 123 N -0.76 4.44 0.33 0.56 2.07 -0.63 -4.07 121.20 123.14 4pgm s ILE 123 Ca 0.52 1.69 -0.29 0.00 -1.41 0.00 0.00 60.65 61.16 4pgm s ILE 123 Cb -0.40 -4.13 -0.11 0.00 0.13 0.00 0.00 42.46 37.94 4pgm s ILE 123 CO 0.50 0.49 1.51 -0.62 -1.91 0.00 0.00 174.94 174.91 4pgm s ASP 124 N -0.94 6.42 0.58 4.50 2.15 -1.26 -4.89 116.67 123.23 4pgm s ASP 124 Ca 0.36 2.95 0.28 0.00 0.43 0.00 0.00 52.55 56.57 4pgm s ASP 124 Cb -0.23 -2.65 1.72 0.00 -0.30 0.00 0.00 42.92 41.46 4pgm s ASP 124 CO 0.26 -0.84 2.20 0.00 -0.17 0.00 0.00 175.17 176.61 4pgm h ALA 125 N 3.89 1.67 0.00 3.66 0.00 -1.99 -2.26 119.26 124.23 4pgm h ALA 125 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 4pgm h ALA 125 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 4pgm h ALA 125 CO 0.71 -0.09 -0.72 0.66 0.00 0.00 0.00 179.25 179.81 4pgm h SER 126 N 0.00 0.00 -3.27 0.00 4.64 -1.98 -3.47 113.55 109.48 4pgm h SER 126 Ca 0.03 -0.18 -0.57 0.00 -0.47 0.00 0.00 61.79 60.59 4pgm h SER 126 Cb 0.14 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.35 4pgm h SER 126 CO -0.00 0.09 0.39 -0.24 -0.87 0.00 0.00 176.83 176.20 4pgm n SER 127 N -2.23 2.21 0.00 4.97 2.88 -0.85 -4.84 113.62 115.76 4pgm n SER 127 Ca 0.03 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.71 4pgm n SER 127 Cb 0.46 -1.44 0.08 0.00 -0.75 0.00 0.00 64.21 62.56 4pgm n SER 127 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 4pgm n PRO 128 N 0.27 0.01 -0.59 -1.46 -0.02 -1.26 -2.25 135.00 129.71 4pgm n PRO 128 Ca 0.07 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 4pgm n PRO 128 Cb 0.38 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.56 4pgm n PRO 128 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 4pgm n PHE 129 N -1.44 0.60 -4.49 6.00 3.72 -1.26 -4.97 117.46 115.61 4pgm n PHE 129 Ca 0.01 -1.38 -0.34 0.00 -0.05 0.00 0.00 57.45 55.69 4pgm n PHE 129 Cb 0.04 -0.35 -0.10 0.00 -0.94 0.00 0.00 39.48 38.13 4pgm n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 4pgm s SER 130 N -2.70 4.91 -0.32 4.37 0.15 -0.96 -4.83 113.70 114.32 4pgm s SER 130 Ca 0.41 0.04 0.08 0.00 0.70 0.00 0.00 55.95 57.17 4pgm s SER 130 Cb 0.37 -1.29 0.50 0.00 -1.71 0.00 0.00 66.02 63.88 4pgm s SER 130 CO -0.00 0.36 1.47 0.00 1.20 0.00 0.00 173.24 176.27 4pgm n GLN 131 N 2.09 2.11 -2.02 5.44 0.00 -1.26 -4.97 117.38 118.75 4pgm n GLN 131 Ca -0.18 -3.33 -0.43 0.00 0.00 0.00 0.00 57.00 53.06 4pgm n GLN 131 Cb 0.53 -1.91 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 4pgm n GLN 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 4pgm s LYS 132 N -3.34 3.62 0.00 2.61 2.36 -1.26 -1.76 119.74 121.97 4pgm s LYS 132 Ca 0.47 1.65 0.00 0.00 -2.55 0.00 0.00 55.97 55.54 4pgm s LYS 132 Cb 0.42 -4.11 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 4pgm s LYS 132 CO -0.00 -1.51 0.00 0.41 1.55 0.00 0.00 175.35 175.80 4pgm n GLY 133 N 4.98 0.95 3.76 5.54 0.00 -1.26 -5.07 105.19 114.09 4pgm n GLY 133 Ca 0.21 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 4pgm n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4pgm s ASP 134 N -2.05 7.01 0.28 1.61 -1.08 -0.72 -4.94 116.67 116.78 4pgm s ASP 134 Ca 0.00 2.40 0.03 0.00 -0.52 0.00 0.00 52.55 54.46 4pgm s ASP 134 Cb 0.00 -2.63 0.69 0.00 -1.46 0.00 0.00 42.92 39.52 4pgm s ASP 134 CO 0.00 -0.34 1.71 -0.08 0.52 0.00 0.00 175.17 176.98 4pgm h GLU 135 N 3.50 0.42 0.00 4.34 4.81 -1.97 0.64 114.58 126.31 4pgm h GLU 135 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 4pgm h GLU 135 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.50 4pgm h GLU 135 CO 0.66 0.28 0.00 2.89 -0.73 0.00 0.00 179.01 182.10 4pgm n ARG 136 N -5.02 0.11 -0.06 1.92 1.85 -1.26 -2.58 116.66 111.62 4pgm n ARG 136 Ca 0.21 0.21 0.05 0.00 -1.00 0.00 0.00 57.85 57.32 4pgm n ARG 136 Cb 0.61 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.60 4pgm n ARG 136 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 4pgm n TYR 137 N -1.38 0.06 0.30 2.89 4.01 0.21 -4.79 117.16 118.46 4pgm n TYR 137 Ca 0.05 -0.72 0.18 0.00 -0.16 0.00 0.00 57.90 57.25 4pgm n TYR 137 Cb 0.13 -0.10 0.91 0.00 -0.31 0.00 0.00 39.34 39.97 4pgm n TYR 137 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 4pgm h LYS 138 N 0.18 0.00 -0.09 -0.72 2.10 -1.46 -2.01 116.57 114.58 4pgm h LYS 138 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 4pgm h LYS 138 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 4pgm h LYS 138 CO 0.01 0.04 0.00 0.66 -2.00 0.00 0.00 179.45 178.16 4pgm n TYR 139 N -3.33 0.08 -3.68 0.07 4.01 -1.26 -4.93 117.16 108.12 4pgm n TYR 139 Ca -0.02 -0.04 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 4pgm n TYR 139 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 4pgm n TYR 139 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 4pgm s VAL 140 N -1.92 5.20 -0.29 -0.72 1.01 -0.76 -5.00 120.40 117.93 4pgm s VAL 140 Ca 0.31 0.19 -0.34 0.00 0.00 0.00 0.00 61.98 62.14 4pgm s VAL 140 Cb 0.20 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.87 4pgm s VAL 140 CO 0.31 0.23 2.12 -0.67 0.00 0.00 0.00 175.10 177.09 4pgm n ASP 141 N 0.71 2.49 -0.32 3.32 2.03 -1.26 -4.81 116.55 118.71 4pgm n ASP 141 Ca -0.07 0.51 0.23 0.00 0.52 0.00 0.00 54.79 55.98 4pgm n ASP 141 Cb 0.52 -1.31 0.44 0.00 -0.72 0.00 0.00 41.12 40.06 4pgm n ASP 141 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4pgm h PRO 142 N 11.91 0.19 0.00 -0.67 0.11 -1.93 -1.65 132.00 139.95 4pgm h PRO 142 Ca -0.34 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 4pgm h PRO 142 Cb 1.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 4pgm h PRO 142 CO 1.00 0.13 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.85 4pgm h ASN 143 N 0.19 0.00 0.86 -2.05 2.35 -2.01 -2.99 115.58 111.93 4pgm h ASN 143 Ca 0.71 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 56.23 4pgm h ASN 143 Cb 1.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.99 4pgm h ASN 143 CO -0.69 0.15 -1.12 1.62 -1.65 0.00 0.00 177.43 175.74 4pgm h VAL 144 N 0.00 1.59 -2.31 2.81 3.04 -1.68 -3.45 116.25 116.25 4pgm h VAL 144 Ca -0.00 -3.27 -0.54 0.00 -1.01 0.00 0.00 66.70 61.87 4pgm h VAL 144 Cb 0.44 2.84 0.02 0.00 -2.01 0.00 0.00 31.29 32.57 4pgm h VAL 144 CO 0.02 0.92 1.22 0.18 -1.01 0.00 0.00 177.57 178.90 4pgm n LEU 145 N -3.37 4.07 -4.82 3.16 4.32 -1.13 -4.96 117.00 114.28 4pgm n LEU 145 Ca -0.04 0.91 -0.31 0.00 -0.02 0.00 0.00 56.01 56.56 4pgm n LEU 145 Cb 0.97 -1.51 0.05 0.00 -1.62 0.00 0.00 43.42 41.31 4pgm n LEU 145 CO 0.48 0.17 0.71 -2.16 -1.22 0.00 0.00 177.39 175.37 4pgm s PRO 146 N 4.38 2.93 0.00 3.23 0.04 -1.26 -4.99 135.00 139.33 4pgm s PRO 146 Ca 0.89 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.90 4pgm s PRO 146 Cb -0.47 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.08 4pgm s PRO 146 CO 0.43 -1.10 0.94 0.39 0.04 0.00 0.00 177.00 177.70 4pgm n GLU 147 N -3.11 2.53 0.00 4.56 1.02 -1.26 -4.97 120.64 119.40 4pgm n GLU 147 Ca 0.08 -1.38 0.00 0.00 -0.02 0.00 0.00 57.16 55.84 4pgm n GLU 147 Cb 0.53 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 4pgm n GLU 147 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 4pgm n THR 148 N -0.44 0.00 -3.65 2.62 -1.04 -1.26 -1.61 114.28 108.90 4pgm n THR 148 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 4pgm n THR 148 Cb 0.22 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.70 4pgm n THR 148 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 4pgm s GLU 149 N -2.00 1.27 0.24 -2.82 2.02 -0.55 -4.83 118.70 112.03 4pgm s GLU 149 Ca 0.00 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.28 4pgm s GLU 149 Cb 0.00 0.52 -0.05 0.00 0.10 0.00 0.00 34.13 34.69 4pgm s GLU 149 CO 0.00 -0.53 -0.00 -1.54 0.02 0.00 0.00 175.26 173.21 4pgm s SER 150 N -2.83 1.93 0.45 -0.19 1.04 -1.26 -4.15 113.70 108.69 4pgm s SER 150 Ca 0.06 -1.23 0.15 0.00 0.48 0.00 0.00 55.95 55.41 4pgm s SER 150 Cb -0.00 -0.01 1.08 0.00 0.10 0.00 0.00 66.02 67.19 4pgm s SER 150 CO -0.07 -0.51 2.00 0.25 0.98 0.00 0.00 173.24 175.89 4pgm h LEU 151 N 2.43 0.30 0.41 2.42 6.46 -1.77 -1.10 115.31 124.46 4pgm h LEU 151 Ca -0.39 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 4pgm h LEU 151 Cb 1.23 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 4pgm h LEU 151 CO 0.65 0.18 -0.35 0.00 -0.62 0.00 0.00 178.44 178.31 4pgm h ALA 152 N 1.73 -0.78 -0.56 1.25 0.00 -1.53 -0.35 119.26 119.02 4pgm h ALA 152 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 4pgm h ALA 152 Cb 0.50 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 4pgm h ALA 152 CO -0.06 -0.97 0.31 -0.07 0.00 0.00 0.00 179.25 178.46 4pgm h LEU 153 N -0.76 0.70 -0.43 0.00 3.38 -1.73 -2.71 115.31 113.75 4pgm h LEU 153 Ca -0.04 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.92 4pgm h LEU 153 Cb 0.67 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 4pgm h LEU 153 CO -0.02 0.59 0.01 0.58 0.09 0.00 0.00 178.44 179.69 4pgm h VAL 154 N 0.75 0.68 -0.99 1.22 2.07 -0.92 -1.59 116.25 117.47 4pgm h VAL 154 Ca 0.20 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.69 4pgm h VAL 154 Cb 0.05 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 4pgm h VAL 154 CO -0.03 0.02 0.66 0.40 0.02 0.00 0.00 177.57 178.64 4pgm h ILE 155 N 0.13 1.25 -0.10 4.57 2.04 -0.81 -0.62 117.51 123.97 4pgm h ILE 155 Ca 0.22 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.65 4pgm h ILE 155 Cb 0.31 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.13 4pgm h ILE 155 CO -0.35 0.24 -0.16 0.44 0.00 0.00 0.00 178.15 178.33 4pgm h ASP 156 N 1.34 -0.49 1.02 1.72 3.32 -0.99 -0.69 116.42 121.65 4pgm h ASP 156 Ca 0.37 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.43 4pgm h ASP 156 Cb -0.15 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 4pgm h ASP 156 CO -0.08 -0.21 -0.36 0.08 -1.72 0.00 0.00 179.24 176.95 4pgm h ARG 157 N -0.21 0.00 0.09 3.56 0.11 -1.25 -3.32 114.38 113.35 4pgm h ARG 157 Ca 0.08 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.91 4pgm h ARG 157 Cb 0.33 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.44 4pgm h ARG 157 CO -0.22 0.36 -1.03 1.25 0.10 0.00 0.00 179.97 180.42 4pgm h LEU 158 N 0.00 0.75 -0.80 0.08 6.46 -0.23 -3.37 115.31 118.20 4pgm h LEU 158 Ca -0.00 -0.82 0.13 0.00 -0.12 0.00 0.00 57.88 57.06 4pgm h LEU 158 Cb 0.96 -0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.57 4pgm h LEU 158 CO 0.05 1.49 0.39 -0.07 -0.62 0.00 0.00 178.44 179.68 4pgm h LEU 159 N 0.11 0.48 -0.79 2.25 3.38 -1.26 -2.65 115.31 116.83 4pgm h LEU 159 Ca -0.15 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.93 4pgm h LEU 159 Cb 1.73 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 4pgm h LEU 159 CO 0.20 0.22 0.51 -0.65 0.09 0.00 0.00 178.44 178.81 4pgm h PRO 160 N 0.60 0.97 -0.82 1.13 0.11 -1.74 0.38 132.00 132.62 4pgm h PRO 160 Ca 0.42 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 4pgm h PRO 160 Cb 0.56 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 4pgm h PRO 160 CO -0.34 0.64 0.45 -0.92 -0.21 0.00 0.00 178.00 177.62 4pgm h TYR 161 N 1.00 1.12 -0.28 0.65 3.20 -1.68 0.16 116.97 121.14 4pgm h TYR 161 Ca 0.31 -0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 4pgm h TYR 161 Cb -0.02 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.89 4pgm h TYR 161 CO -0.03 0.78 -0.57 2.35 -1.64 0.00 0.00 178.16 179.06 4pgm h TRP 162 N 1.15 1.09 -0.29 -3.82 2.91 -1.04 -0.67 115.95 115.27 4pgm h TRP 162 Ca 0.29 -0.39 -0.04 0.00 1.13 0.00 0.00 58.89 59.87 4pgm h TRP 162 Cb 0.03 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 4pgm h TRP 162 CO 0.01 1.22 0.01 1.96 -1.03 0.00 0.00 178.44 180.62 4pgm h GLN 163 N 0.65 0.51 0.00 2.65 4.20 0.49 0.95 115.11 124.57 4pgm h GLN 163 Ca 0.01 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.56 4pgm h GLN 163 Cb 1.18 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.91 4pgm h GLN 163 CO 0.12 0.65 -0.33 -0.25 -0.67 0.00 0.00 178.83 178.35 4pgm n ASP 164 N -4.59 1.05 0.13 1.46 9.92 -0.03 -4.47 116.55 120.01 4pgm n ASP 164 Ca -0.03 0.43 -0.06 0.00 -0.53 0.00 0.00 54.79 54.60 4pgm n ASP 164 Cb 0.24 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.00 4pgm n ASP 164 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 4pgm h VAL 165 N -0.57 0.00 -0.70 2.53 2.07 -1.59 -3.04 116.25 114.94 4pgm h VAL 165 Ca 0.00 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 4pgm h VAL 165 Cb 0.33 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 4pgm h VAL 165 CO 0.00 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.40 4pgm h ILE 166 N -0.66 1.21 -0.84 4.57 2.04 -1.21 -3.03 117.51 119.59 4pgm h ILE 166 Ca -0.04 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.37 4pgm h ILE 166 Cb 0.28 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 4pgm h ILE 166 CO 0.06 0.22 0.54 0.00 0.00 0.00 0.00 178.15 178.98 4pgm h ALA 167 N 1.21 1.12 -0.68 1.87 0.00 -0.98 -2.40 119.26 119.39 4pgm h ALA 167 Ca 0.25 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.22 4pgm h ALA 167 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 4pgm h ALA 167 CO -0.04 0.37 0.33 -0.22 0.00 0.00 0.00 179.25 179.68 4pgm h LYS 168 N 1.05 0.56 -0.46 0.00 3.64 -1.40 0.27 116.57 120.21 4pgm h LYS 168 Ca 0.34 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 4pgm h LYS 168 Cb 0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 4pgm h LYS 168 CO -0.12 0.37 0.03 -0.44 -2.27 0.00 0.00 179.45 177.02 4pgm h ASP 169 N 0.57 0.77 -0.39 4.20 3.32 -1.52 -1.15 116.42 122.21 4pgm h ASP 169 Ca 0.33 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 4pgm h ASP 169 Cb 0.35 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 4pgm h ASP 169 CO -0.26 0.87 0.23 -0.07 -1.72 0.00 0.00 179.24 178.28 4pgm h LEU 170 N 0.65 0.48 -1.65 1.55 4.07 -0.86 -1.72 115.31 117.83 4pgm h LEU 170 Ca 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.02 4pgm h LEU 170 Cb 0.45 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.07 4pgm h LEU 170 CO 0.02 0.41 0.00 -0.07 -1.08 0.00 0.00 178.44 177.72 4pgm h LEU 171 N 0.51 0.00 -0.22 1.67 3.38 -0.44 -1.93 115.31 118.28 4pgm h LEU 171 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 4pgm h LEU 171 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 4pgm h LEU 171 CO -0.02 0.00 -0.23 -1.20 0.09 0.00 0.00 178.44 177.08 4pgm n SER 172 N -2.93 0.58 0.00 -0.43 7.64 -0.44 -4.94 113.62 113.09 4pgm n SER 172 Ca 0.00 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.42 4pgm n SER 172 Cb 0.24 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 4pgm n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4pgm n GLY 173 N 1.37 0.26 3.77 0.23 0.00 -0.73 -5.07 105.19 105.02 4pgm n GLY 173 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 4pgm n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pgm s LYS 174 N -0.83 3.13 -0.23 1.61 3.01 -0.94 -4.89 119.74 120.59 4pgm s LYS 174 Ca 0.00 1.60 -0.13 0.00 -1.01 0.00 0.00 55.97 56.43 4pgm s LYS 174 Cb 0.00 -1.98 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 4pgm s LYS 174 CO 0.00 -1.02 0.27 0.99 0.51 0.00 0.00 175.35 176.09 4pgm s THR 175 N -1.88 5.28 0.04 2.17 2.01 -1.26 -4.39 115.64 117.62 4pgm s THR 175 Ca 0.72 0.40 0.05 0.00 0.31 0.00 0.00 61.69 63.17 4pgm s THR 175 Cb -0.24 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 4pgm s THR 175 CO 0.32 0.29 -0.07 0.68 -0.69 0.00 0.00 174.62 175.14 4pgm s VAL 176 N 1.28 3.59 -0.08 3.82 -7.23 -0.82 -0.02 120.40 120.95 4pgm s VAL 176 Ca 0.12 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 4pgm s VAL 176 Cb -0.14 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 4pgm s VAL 176 CO 0.07 0.29 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.67 4pgm s MET 177 N -1.72 2.84 -0.27 4.82 0.00 -0.96 0.67 119.30 124.68 4pgm s MET 177 Ca 0.19 -0.73 0.02 0.00 0.00 0.00 0.00 55.69 55.18 4pgm s MET 177 Cb -0.11 -2.43 0.07 0.00 0.00 0.00 0.00 34.83 32.35 4pgm s MET 177 CO 0.10 0.43 -0.07 0.42 0.00 0.00 0.00 175.02 175.90 4pgm s ILE 178 N -0.23 1.99 -0.45 10.11 1.01 0.65 -0.86 121.20 133.41 4pgm s ILE 178 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 60.65 58.83 4pgm s ILE 178 Cb -0.13 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.17 4pgm s ILE 178 CO 0.03 -0.14 0.64 0.00 0.00 0.00 0.00 174.94 175.47 4pgm s ALA 179 N 1.16 3.35 0.00 9.38 0.00 -0.27 -1.57 121.76 133.81 4pgm s ALA 179 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.60 4pgm s ALA 179 Cb -0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.62 4pgm s ALA 179 CO -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 175.76 173.87 4pgm n ALA 180 N 6.25 0.00 -4.24 0.00 0.00 -0.89 -3.52 120.51 118.11 4pgm n ALA 180 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 4pgm n ALA 180 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 4pgm n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 4pgm n HIS 181 N 0.00 0.17 0.37 0.00 8.25 -1.26 -3.03 115.22 119.72 4pgm n HIS 181 Ca 0.00 -1.70 -0.15 0.00 -0.26 0.00 0.00 57.72 55.61 4pgm n HIS 181 Cb 0.00 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 4pgm n HIS 181 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 4pgm h GLY 182 N 0.70 -1.01 1.01 -1.41 0.00 -1.94 -1.89 103.07 98.53 4pgm h GLY 182 Ca -0.28 0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 4pgm h GLY 182 CO 0.45 -0.37 -0.02 3.43 0.00 0.00 0.00 176.54 180.04 4pgm h ASN 183 N -1.19 0.86 -0.53 0.19 2.35 -1.96 0.12 115.58 115.42 4pgm h ASN 183 Ca -0.10 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 4pgm h ASN 183 Cb 0.74 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 4pgm h ASN 183 CO 0.16 0.97 0.30 0.77 -1.65 0.00 0.00 177.43 177.98 4pgm h SER 184 N 0.74 0.66 -0.32 5.81 4.64 -1.74 0.42 113.55 123.76 4pgm h SER 184 Ca 0.14 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 4pgm h SER 184 Cb 0.54 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 4pgm h SER 184 CO 0.03 0.56 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.04 4pgm h LEU 185 N 0.71 0.96 -0.72 5.97 3.38 -1.25 -2.65 115.31 121.72 4pgm h LEU 185 Ca 0.19 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.74 4pgm h LEU 185 Cb 0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 4pgm h LEU 185 CO -0.03 1.26 0.43 0.03 0.09 0.00 0.00 178.44 180.22 4pgm h ARG 186 N 0.71 0.79 -0.78 1.13 3.08 -0.48 -0.62 114.38 118.21 4pgm h ARG 186 Ca 0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 4pgm h ARG 186 Cb 1.03 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 4pgm h ARG 186 CO 0.10 0.52 0.39 0.78 -1.07 0.00 0.00 179.97 180.69 4pgm h GLY 187 N 0.81 1.19 1.63 0.04 0.00 -0.78 -0.71 103.07 105.25 4pgm h GLY 187 Ca 0.31 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 4pgm h GLY 187 CO -0.15 0.55 -0.41 -2.00 0.00 0.00 0.00 176.54 174.53 4pgm h LEU 188 N 1.09 0.44 -0.06 3.11 5.85 -1.00 -2.28 115.31 122.46 4pgm h LEU 188 Ca 0.27 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 4pgm h LEU 188 Cb 0.10 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 4pgm h LEU 188 CO -0.04 0.80 -0.04 0.58 -0.34 0.00 0.00 178.44 179.41 4pgm h VAL 189 N 0.34 1.34 -0.41 1.05 2.07 -0.71 0.26 116.25 120.19 4pgm h VAL 189 Ca 0.03 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.56 4pgm h VAL 189 Cb 0.86 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.46 4pgm h VAL 189 CO 0.07 0.29 -0.23 0.50 0.02 0.00 0.00 177.57 178.23 4pgm h LYS 190 N -0.26 -0.15 -0.32 1.57 1.63 -1.10 0.19 116.57 118.14 4pgm h LYS 190 Ca 0.01 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 4pgm h LYS 190 Cb 0.49 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 4pgm h LYS 190 CO 0.01 -0.10 0.14 1.25 -3.45 0.00 0.00 179.45 177.30 4pgm h HIS 191 N -0.15 0.47 -0.59 1.91 2.76 -1.36 0.83 115.15 119.02 4pgm h HIS 191 Ca 0.20 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 4pgm h HIS 191 Cb 0.46 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 4pgm h HIS 191 CO -0.46 0.44 0.29 -0.07 -1.30 0.00 0.00 177.93 176.83 4pgm h LEU 192 N 0.37 0.74 0.00 0.26 3.38 0.64 -3.28 115.31 117.43 4pgm h LEU 192 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 4pgm h LEU 192 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 4pgm h LEU 192 CO -0.01 0.63 -1.97 -0.62 0.09 0.00 0.00 178.44 176.56 4pgm n GLU 193 N -4.37 0.65 -1.37 1.13 1.02 0.57 -4.50 120.64 113.77 4pgm n GLU 193 Ca 0.05 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 4pgm n GLU 193 Cb 0.12 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 4pgm n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4pgm n GLY 194 N 1.40 0.17 3.59 0.62 0.00 0.26 -5.07 105.19 106.15 4pgm n GLY 194 Ca -0.07 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 4pgm n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pgm s ILE 195 N -2.91 3.92 1.01 -0.61 1.01 -1.03 -5.07 121.20 117.52 4pgm s ILE 195 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 4pgm s ILE 195 Cb 0.00 -2.65 0.20 0.00 0.01 0.00 0.00 42.46 40.02 4pgm s ILE 195 CO 0.00 0.57 1.09 -0.94 0.00 0.00 0.00 174.94 175.67 4pgm s SER 196 N -0.51 2.23 0.35 3.58 1.04 -1.26 -4.81 113.70 114.32 4pgm s SER 196 Ca 0.08 1.86 0.15 0.00 0.48 0.00 0.00 55.95 58.52 4pgm s SER 196 Cb -0.12 -2.44 0.64 0.00 0.10 0.00 0.00 66.02 64.21 4pgm s SER 196 CO 0.02 -3.48 1.74 0.44 0.98 0.00 0.00 173.24 172.94 4pgm h ASP 197 N -2.13 0.00 1.40 7.02 5.19 -2.00 -2.08 116.42 123.82 4pgm h ASP 197 Ca -0.51 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.78 4pgm h ASP 197 Cb 1.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 4pgm h ASP 197 CO 0.46 0.43 -0.61 0.00 -3.12 0.00 0.00 179.24 176.41 4pgm h ALA 198 N 1.57 0.63 0.00 3.45 0.00 -2.03 -3.31 119.26 119.57 4pgm h ALA 198 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 4pgm h ALA 198 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 4pgm h ALA 198 CO 0.06 0.73 -1.30 -0.44 0.00 0.00 0.00 179.25 178.29 4pgm h ASP 199 N 0.00 0.00 -0.43 0.00 3.32 -1.86 -3.38 116.42 114.07 4pgm h ASP 199 Ca -0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.16 4pgm h ASP 199 Cb 1.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 4pgm h ASP 199 CO 0.07 0.66 0.40 -0.29 -1.72 0.00 0.00 179.24 178.37 4pgm h ILE 200 N 0.00 0.48 0.00 0.35 6.09 -1.47 -0.57 117.51 122.39 4pgm h ILE 200 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 4pgm h ILE 200 Cb 1.64 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.62 4pgm h ILE 200 CO 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 4pgm h ALA 201 N 1.60 1.00 0.00 0.18 0.00 -1.78 -2.77 119.26 117.49 4pgm h ALA 201 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 4pgm h ALA 201 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 4pgm h ALA 201 CO -0.00 0.00 -1.03 1.63 0.00 0.00 0.00 179.25 179.84 4pgm n LYS 202 N -2.68 0.39 -3.03 0.00 4.01 -0.22 -4.90 118.16 111.73 4pgm n LYS 202 Ca -0.01 0.02 -0.40 0.00 -0.51 0.00 0.00 58.31 57.41 4pgm n LYS 202 Cb 0.13 -1.66 -0.05 0.00 -0.51 0.00 0.00 35.03 32.95 4pgm n LYS 202 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 4pgm s LEU 203 N -4.36 4.19 -0.05 -0.35 2.96 -1.05 -5.05 118.68 114.98 4pgm s LEU 203 Ca 0.02 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 4pgm s LEU 203 Cb 0.13 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.79 4pgm s LEU 203 CO 0.79 -0.28 -0.11 0.21 -1.32 0.00 0.00 176.35 175.65 4pgm s ASN 204 N 1.09 1.57 -0.23 3.68 3.84 -1.26 -5.02 114.94 118.60 4pgm s ASN 204 Ca 0.34 -0.26 -0.21 0.00 0.21 0.00 0.00 52.86 52.94 4pgm s ASN 204 Cb -0.16 -0.64 -0.02 0.00 -0.55 0.00 0.00 41.25 39.88 4pgm s ASN 204 CO 0.13 0.04 0.67 -0.63 -2.79 0.00 0.00 177.10 174.52 4pgm s ILE 205 N 0.53 4.96 0.48 -5.21 1.01 -1.26 -5.05 121.20 116.67 4pgm s ILE 205 Ca -0.11 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.57 4pgm s ILE 205 Cb -0.14 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 4pgm s ILE 205 CO 0.02 0.03 1.17 -2.16 0.00 0.00 0.00 174.94 174.00 4pgm s PRO 206 N 2.40 3.64 0.25 2.79 0.04 -1.26 -4.99 135.00 137.86 4pgm s PRO 206 Ca 0.29 1.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 4pgm s PRO 206 Cb -0.16 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 4pgm s PRO 206 CO 0.09 -0.65 0.91 0.95 0.04 0.00 0.00 177.00 178.34 4pgm s THR 207 N -1.57 4.15 0.00 1.26 -4.23 -1.26 -4.23 115.64 109.76 4pgm s THR 207 Ca 0.66 1.96 0.00 0.00 -1.18 0.00 0.00 61.69 63.13 4pgm s THR 207 Cb -0.28 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.33 4pgm s THR 207 CO 0.34 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.45 4pgm n GLY 208 N 1.29 0.56 2.80 3.99 0.00 0.33 -4.89 105.19 109.26 4pgm n GLY 208 Ca -0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 4pgm n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pgm s ILE 209 N -2.00 0.81 0.13 -0.61 1.01 -1.26 -3.89 121.20 115.38 4pgm s ILE 209 Ca 0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 60.65 59.60 4pgm s ILE 209 Cb 0.00 -1.22 -0.14 0.00 0.01 0.00 0.00 42.46 41.10 4pgm s ILE 209 CO 0.00 -0.15 1.55 -2.65 0.00 0.00 0.00 174.94 173.69 4pgm n PRO 210 N 4.95 1.94 -3.80 2.79 -0.02 -1.26 -4.71 135.00 134.89 4pgm n PRO 210 Ca -0.10 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 4pgm n PRO 210 Cb 0.46 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 4pgm n PRO 210 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 4pgm s LEU 211 N 1.04 3.31 0.01 2.45 0.20 0.59 -1.28 118.68 125.01 4pgm s LEU 211 Ca 0.81 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.35 4pgm s LEU 211 Cb -0.74 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 4pgm s LEU 211 CO 0.41 -0.04 0.06 -0.69 -0.29 0.00 0.00 176.35 175.80 4pgm s VAL 212 N 1.57 4.57 -0.07 1.68 1.01 0.74 0.39 120.40 130.29 4pgm s VAL 212 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.53 4pgm s VAL 212 Cb -0.15 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.16 4pgm s VAL 212 CO 0.02 0.32 -0.05 -0.36 0.00 0.00 0.00 175.10 175.02 4pgm s PHE 213 N -1.20 1.01 -0.47 5.22 0.40 -0.46 -1.35 117.98 121.13 4pgm s PHE 213 Ca 0.23 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 4pgm s PHE 213 Cb -0.12 -0.90 0.06 0.00 0.51 0.00 0.00 43.02 42.57 4pgm s PHE 213 CO 0.14 -0.32 0.46 -1.21 0.70 0.00 0.00 175.22 174.99 4pgm s GLU 214 N 1.35 3.03 0.23 0.44 2.02 -1.26 -1.73 118.70 122.78 4pgm s GLU 214 Ca -0.03 -1.14 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 4pgm s GLU 214 Cb -0.14 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.95 4pgm s GLU 214 CO -0.03 -1.04 0.45 -0.51 0.02 0.00 0.00 175.26 174.15 4pgm s LEU 215 N 1.97 4.16 0.00 1.80 1.43 0.17 -0.32 118.68 127.90 4pgm s LEU 215 Ca 0.08 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 4pgm s LEU 215 Cb -0.22 -3.31 0.08 0.00 0.03 0.00 0.00 46.19 42.78 4pgm s LEU 215 CO 0.09 -0.10 0.55 -0.90 0.23 0.00 0.00 176.35 176.22 4pgm n ASP 216 N -0.76 0.84 0.28 2.29 5.68 0.11 -2.42 116.55 122.57 4pgm n ASP 216 Ca -0.04 -1.68 0.18 0.00 -0.50 0.00 0.00 54.79 52.75 4pgm n ASP 216 Cb 0.54 -0.35 0.94 0.00 -1.14 0.00 0.00 41.12 41.12 4pgm n ASP 216 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 4pgm h GLU 217 N 0.00 0.00 -0.69 0.11 4.11 -1.98 0.17 114.58 116.30 4pgm h GLU 217 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 4pgm h GLU 217 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 4pgm h GLU 217 CO 0.20 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.37 4pgm n ASN 218 N -3.31 4.18 -3.41 3.06 5.03 -1.26 -4.95 115.26 114.59 4pgm n ASN 218 Ca -0.01 -2.18 -0.21 0.00 0.87 0.00 0.00 54.58 53.05 4pgm n ASN 218 Cb 0.27 -0.52 0.08 0.00 -1.02 0.00 0.00 39.78 38.59 4pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 4pgm n LEU 219 N 1.39 -3.55 -4.10 3.41 4.32 0.59 -5.02 117.00 114.03 4pgm n LEU 219 Ca 0.24 -0.54 -0.17 0.00 -0.02 0.00 0.00 56.01 55.52 4pgm n LEU 219 Cb 0.72 -2.95 -0.13 0.00 -1.62 0.00 0.00 43.42 39.44 4pgm n LEU 219 CO 0.19 0.54 -0.44 -0.54 -1.22 0.00 0.00 177.39 175.92 4pgm s LYS 220 N -5.93 0.75 -0.33 3.23 1.02 -1.26 -4.86 119.74 112.35 4pgm s LYS 220 Ca 0.37 -0.68 -0.41 0.00 0.02 0.00 0.00 55.97 55.26 4pgm s LYS 220 Cb -0.16 -0.69 -0.16 0.00 -0.52 0.00 0.00 37.83 36.29 4pgm s LYS 220 CO 0.70 0.16 1.75 -2.30 -0.92 0.00 0.00 175.35 174.74 4pgm n PRO 221 N 1.91 0.90 0.07 -1.68 -0.02 -1.26 -0.71 135.00 134.21 4pgm n PRO 221 Ca -0.19 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 4pgm n PRO 221 Cb 0.55 -1.99 0.12 0.00 -0.02 0.00 0.00 33.50 32.16 4pgm n PRO 221 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 4pgm h SER 222 N 7.05 0.00 -5.14 2.55 4.64 -0.96 -3.45 113.55 118.24 4pgm h SER 222 Ca -0.44 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 60.67 4pgm h SER 222 Cb 1.33 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.31 4pgm h SER 222 CO 0.97 0.08 -0.07 -0.54 -0.87 0.00 0.00 176.83 176.40 4pgm s LYS 223 N -3.22 1.31 0.42 4.77 1.02 -1.25 -5.05 119.74 117.75 4pgm s LYS 223 Ca 0.04 -0.96 -0.24 0.00 0.02 0.00 0.00 55.97 54.84 4pgm s LYS 223 Cb 0.12 0.48 -0.08 0.00 -0.52 0.00 0.00 37.83 37.83 4pgm s LYS 223 CO 0.74 -0.54 1.13 -2.14 -0.92 0.00 0.00 175.35 173.63 4pgm s PRO 224 N -3.90 3.98 0.71 -1.68 0.02 -1.26 -4.60 135.00 128.27 4pgm s PRO 224 Ca 0.11 1.73 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 4pgm s PRO 224 Cb 0.00 -2.55 0.01 0.00 0.02 0.00 0.00 34.50 31.99 4pgm s PRO 224 CO -0.02 -0.35 1.04 -1.13 -0.33 0.00 0.00 177.00 176.21 4pgm n SER 225 N -0.16 0.79 -3.78 2.53 3.41 -1.26 -4.85 113.62 110.29 4pgm n SER 225 Ca 0.06 0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 59.23 4pgm n SER 225 Cb 0.48 -1.44 -0.11 0.00 -0.26 0.00 0.00 64.21 62.88 4pgm n SER 225 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 4pgm s TYR 226 N -1.77 -0.27 0.30 7.33 1.13 -0.46 -4.97 117.35 118.65 4pgm s TYR 226 Ca 0.75 0.62 -0.15 0.00 -1.41 0.00 0.00 57.07 56.88 4pgm s TYR 226 Cb -0.35 0.09 -0.09 0.00 -1.10 0.00 0.00 41.96 40.52 4pgm s TYR 226 CO 0.49 -0.20 0.72 0.71 -2.51 0.00 0.00 175.55 174.75 4pgm s TYR 227 N -0.20 3.40 -2.00 -3.49 2.02 -1.26 -0.18 117.35 115.64 4pgm s TYR 227 Ca -0.03 1.20 0.23 0.00 -0.37 0.00 0.00 57.07 58.10 4pgm s TYR 227 Cb -0.03 -2.52 1.37 0.00 -0.40 0.00 0.00 41.96 40.38 4pgm s TYR 227 CO 0.01 0.13 1.87 1.28 -1.57 0.00 0.00 175.55 177.28 4pgm n LEU 228 N -0.25 0.00 -3.07 -1.29 4.77 -0.40 -3.71 117.00 113.05 4pgm n LEU 228 Ca 0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 4pgm n LEU 228 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 4pgm n LEU 228 CO 0.42 0.00 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.70 4pgm n ASP 229 N -0.86 -1.65 -0.16 -1.43 -0.08 -1.26 -4.96 116.55 106.16 4pgm n ASP 229 Ca 0.17 -2.74 0.08 0.00 -1.51 0.00 0.00 54.79 50.80 4pgm n ASP 229 Cb 0.08 0.50 0.40 0.00 2.34 0.00 0.00 41.12 44.43 4pgm n ASP 229 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 4pgm h PRO 230 N 4.90 0.63 0.69 -0.67 0.11 -1.98 -2.54 132.00 133.14 4pgm h PRO 230 Ca 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 4pgm h PRO 230 Cb 0.98 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.96 4pgm h PRO 230 CO 0.27 0.42 -0.33 0.93 -0.21 0.00 0.00 178.00 179.08 4pgm h GLU 231 N 0.65 -0.89 -0.55 1.05 3.07 -1.95 0.15 114.58 116.11 4pgm h GLU 231 Ca 0.31 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 4pgm h GLU 231 Cb 0.37 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 4pgm h GLU 231 CO -0.10 -0.59 0.25 0.00 -1.40 0.00 0.00 179.01 177.17 4pgm h ALA 232 N -0.66 0.71 -0.15 3.43 0.00 -1.98 -2.60 119.26 118.00 4pgm h ALA 232 Ca -0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 4pgm h ALA 232 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 4pgm h ALA 232 CO 0.16 0.29 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 4pgm h ALA 233 N 1.09 1.31 -0.63 0.00 0.00 -1.43 -3.04 119.26 116.56 4pgm h ALA 233 Ca 0.19 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.82 4pgm h ALA 233 Cb 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 4pgm h ALA 233 CO -0.02 0.47 0.39 0.00 0.00 0.00 0.00 179.25 180.09 4pgm h ALA 234 N 1.50 0.81 -0.80 0.00 0.00 -0.30 -3.15 119.26 117.33 4pgm h ALA 234 Ca 0.04 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.06 4pgm h ALA 234 Cb 0.57 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 4pgm h ALA 234 CO 0.04 0.16 -0.29 0.00 0.00 0.00 0.00 179.25 179.16 4pgm n ALA 235 N -2.29 -0.04 -0.79 0.00 0.00 -1.15 -5.10 120.51 111.14 4pgm n ALA 235 Ca 0.06 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.31 4pgm n ALA 235 Cb 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.12 4pgm n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91