#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 1.07 -0.06 -0.52 2.20 -1.26 -0.90 119.74 120.27 4pgm s LYS 2 Ca 0.00 -0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 4pgm s LYS 2 Cb 0.00 -1.22 -0.02 0.00 -1.51 0.00 0.00 37.83 35.09 4pgm s LYS 2 CO 0.00 -0.23 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.37 4pgm s LEU 3 N 1.60 2.27 -0.17 5.43 2.96 -0.52 -1.54 118.68 128.71 4pgm s LEU 3 Ca 0.01 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 4pgm s LEU 3 Cb -0.13 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.16 4pgm s LEU 3 CO -0.05 0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.42 4pgm s VAL 4 N -0.26 1.63 0.02 1.68 1.01 0.08 -0.42 120.40 124.14 4pgm s VAL 4 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 4pgm s VAL 4 Cb -0.13 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 4pgm s VAL 4 CO 0.03 0.36 0.19 -0.76 0.00 0.00 0.00 175.10 174.91 4pgm s LEU 5 N 1.44 4.35 -0.19 3.92 2.01 0.13 -0.42 118.68 129.92 4pgm s LEU 5 Ca 0.03 0.30 -0.04 0.00 0.01 0.00 0.00 54.13 54.43 4pgm s LEU 5 Cb -0.14 -2.75 0.09 0.00 0.01 0.00 0.00 46.19 43.40 4pgm s LEU 5 CO -0.10 0.22 0.23 -0.69 1.01 0.00 0.00 176.35 177.03 4pgm s VAL 6 N -1.40 -0.35 -0.03 -1.59 1.01 -0.51 0.22 120.40 117.74 4pgm s VAL 6 Ca 0.30 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 4pgm s VAL 6 Cb -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 4pgm s VAL 6 CO 0.23 -0.13 0.72 -0.60 0.00 0.00 0.00 175.10 175.31 4pgm s ARG 7 N 2.35 4.44 0.74 2.72 3.52 -1.26 -3.27 118.95 128.20 4pgm s ARG 7 Ca 0.06 0.93 -0.14 0.00 -0.13 0.00 0.00 55.73 56.45 4pgm s ARG 7 Cb -0.15 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 4pgm s ARG 7 CO -0.11 0.13 1.18 -3.38 -0.81 0.00 0.00 175.30 172.31 4pgm s HIS 8 N 0.53 2.10 0.00 5.12 -3.43 -1.23 -0.50 115.29 117.89 4pgm s HIS 8 Ca 0.38 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.25 4pgm s HIS 8 Cb -0.18 -3.40 0.00 0.00 -1.43 0.00 0.00 32.58 27.56 4pgm s HIS 8 CO 0.19 -2.47 0.00 0.41 -2.00 0.00 0.00 174.74 170.87 4pgm n GLY 9 N 0.18 -0.03 3.76 -1.38 0.00 -1.26 -4.44 105.19 102.03 4pgm n GLY 9 Ca 0.13 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 4pgm n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4pgm s GLN 10 N 0.01 4.45 0.42 1.61 0.74 -1.26 -4.86 119.66 120.78 4pgm s GLN 10 Ca 0.00 2.07 0.08 0.00 0.05 0.00 0.00 55.36 57.56 4pgm s GLN 10 Cb 0.00 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 31.00 4pgm s GLN 10 CO 0.00 -0.06 0.57 -1.54 -0.55 0.00 0.00 175.29 173.71 4pgm s SER 11 N -0.58 5.63 0.00 6.67 1.04 -1.26 -0.93 113.70 124.27 4pgm s SER 11 Ca 0.48 -0.44 0.23 0.00 0.48 0.00 0.00 55.95 56.70 4pgm s SER 11 Cb -0.37 -0.64 1.29 0.00 0.10 0.00 0.00 66.02 66.40 4pgm s SER 11 CO 0.48 -0.77 1.76 -1.84 0.98 0.00 0.00 173.24 173.85 4pgm n GLU 12 N -1.85 0.55 -0.07 4.02 0.28 -0.66 -2.32 120.64 120.59 4pgm n GLU 12 Ca 0.08 0.03 -0.20 0.00 -0.16 0.00 0.00 57.16 56.91 4pgm n GLU 12 Cb 0.59 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.83 4pgm n GLU 12 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 4pgm n TRP 13 N -1.13 0.59 -0.27 -1.84 7.02 -1.26 -3.33 117.44 117.23 4pgm n TRP 13 Ca 0.15 0.14 -0.05 0.00 -1.02 0.00 0.00 57.50 56.71 4pgm n TRP 13 Cb 0.12 -1.08 0.06 0.00 -2.42 0.00 0.00 31.31 28.00 4pgm n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 4pgm h ASN 14 N -0.09 0.91 -0.68 -0.99 -0.73 -1.67 0.26 115.58 112.60 4pgm h ASN 14 Ca -0.51 -0.08 0.14 0.00 1.87 0.00 0.00 56.30 57.72 4pgm h ASN 14 Cb 1.91 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 40.23 4pgm h ASN 14 CO -0.04 0.72 0.46 -0.08 -0.37 0.00 0.00 177.43 178.12 4pgm h GLU 15 N 1.02 0.32 -0.46 6.67 4.81 -1.62 -0.15 114.58 125.18 4pgm h GLU 15 Ca 0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 4pgm h GLU 15 Cb -0.01 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.30 4pgm h GLU 15 CO -0.05 0.21 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 4pgm n LYS 16 N -4.46 4.03 -3.49 1.92 5.02 -0.65 -4.97 118.16 115.57 4pgm n LYS 16 Ca 0.12 -3.01 -0.21 0.00 -2.02 0.00 0.00 58.31 53.20 4pgm n LYS 16 Cb 0.51 -2.06 0.08 0.00 -0.02 0.00 0.00 35.03 33.54 4pgm n LYS 16 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 4pgm n ASN 17 N 0.22 -4.86 -4.30 4.39 4.05 -0.07 -4.92 115.26 109.78 4pgm n ASN 17 Ca 0.25 -0.54 -0.31 0.00 0.45 0.00 0.00 54.58 54.43 4pgm n ASN 17 Cb 1.05 -4.87 -0.16 0.00 1.23 0.00 0.00 39.78 37.03 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 -6.76 2.06 0.43 1.20 1.43 0.84 -0.17 118.68 117.71 4pgm s LEU 18 Ca 0.38 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 4pgm s LEU 18 Cb -0.17 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 4pgm s LEU 18 CO 0.70 0.30 1.17 -0.36 0.23 0.00 0.00 176.35 178.39 4pgm s PHE 19 N -0.51 2.98 -0.05 0.29 0.08 -0.70 -3.98 117.98 116.09 4pgm s PHE 19 Ca 0.07 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.58 4pgm s PHE 19 Cb -0.11 -3.38 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 4pgm s PHE 19 CO 0.00 -1.40 -0.18 2.41 -0.10 0.00 0.00 175.22 175.96 4pgm n THR 20 N -0.19 1.33 0.00 0.64 -1.04 -1.26 -4.43 114.28 109.32 4pgm n THR 20 Ca 0.06 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 4pgm n THR 20 Cb 0.47 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 4pgm n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 4pgm n GLY 21 N 2.45 3.46 1.05 3.41 0.00 -1.26 -1.94 105.19 112.36 4pgm n GLY 21 Ca -0.08 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 11.46 0.48 -2.43 1.61 7.02 -1.26 -4.63 117.44 129.69 4pgm n TRP 22 Ca 0.00 -0.24 -0.39 0.00 -1.02 0.00 0.00 57.50 55.85 4pgm n TRP 22 Cb 0.00 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 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 -1.52 3.42 -1.18 -0.99 1.01 -0.82 -4.92 120.40 115.40 4pgm s VAL 23 Ca 0.38 1.33 -0.06 0.00 0.00 0.00 0.00 61.98 63.62 4pgm s VAL 23 Cb 0.22 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.86 4pgm s VAL 23 CO 0.31 0.24 2.59 -0.67 0.00 0.00 0.00 175.10 177.57 4pgm n ASP 24 N 0.76 7.81 -4.77 3.32 2.03 -1.26 -4.97 116.55 119.47 4pgm n ASP 24 Ca 0.01 -3.03 -0.38 0.00 0.52 0.00 0.00 54.79 51.91 4pgm n ASP 24 Cb 0.46 -1.37 -0.01 0.00 -0.72 0.00 0.00 41.12 39.47 4pgm n ASP 24 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 4pgm s VAL 25 N -0.71 3.02 0.72 5.18 0.11 -1.26 -4.84 120.40 122.62 4pgm s VAL 25 Ca 0.58 0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 60.32 4pgm s VAL 25 Cb 0.22 -3.41 0.03 0.00 -1.53 0.00 0.00 36.38 31.68 4pgm s VAL 25 CO -0.11 0.02 1.07 -0.75 -3.33 0.00 0.00 175.10 172.00 4pgm s LYS 26 N -2.60 2.68 0.06 1.54 2.20 -1.26 -4.11 119.74 118.25 4pgm s LYS 26 Ca 0.62 1.02 -0.23 0.00 -0.36 0.00 0.00 55.97 57.02 4pgm s LYS 26 Cb -0.30 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.00 4pgm s LYS 26 CO 0.37 -1.30 0.69 -1.17 -0.36 0.00 0.00 175.35 173.58 4pgm s LEU 27 N -5.68 4.48 0.68 5.43 2.96 -1.26 -1.66 118.68 123.62 4pgm s LEU 27 Ca 0.59 1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 55.76 4pgm s LEU 27 Cb -0.15 -3.10 -0.00 0.00 0.50 0.00 0.00 46.19 43.43 4pgm s LEU 27 CO 0.55 0.11 1.06 -0.94 -1.32 0.00 0.00 176.35 175.82 4pgm s SER 28 N -0.43 5.67 0.56 3.68 1.04 -0.11 -4.68 113.70 119.44 4pgm s SER 28 Ca 0.34 1.36 0.28 0.00 0.48 0.00 0.00 55.95 58.42 4pgm s SER 28 Cb -0.20 -2.27 1.47 0.00 0.10 0.00 0.00 66.02 65.12 4pgm s SER 28 CO 0.21 -1.22 1.95 0.00 0.98 0.00 0.00 173.24 175.16 4pgm h ALA 29 N -0.57 2.35 -0.08 5.32 0.00 -1.96 0.35 119.26 124.67 4pgm h ALA 29 Ca -0.45 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 4pgm h ALA 29 Cb 1.22 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 4pgm h ALA 29 CO 0.61 -0.72 -0.84 0.87 0.00 0.00 0.00 179.25 179.18 4pgm h LYS 30 N 0.00 0.61 -0.38 0.00 1.57 -1.91 -2.94 116.57 113.52 4pgm h LYS 30 Ca 0.25 -0.55 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 4pgm h LYS 30 Cb 1.15 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 4pgm h LYS 30 CO -0.00 1.17 -0.01 0.78 -0.57 0.00 0.00 179.45 180.81 4pgm h GLY 31 N 0.84 0.73 0.95 3.86 0.00 -0.45 -2.59 103.07 106.41 4pgm h GLY 31 Ca -0.06 -0.54 0.11 0.00 0.00 0.00 0.00 47.33 46.84 4pgm h GLY 31 CO 0.16 0.50 0.43 1.46 0.00 0.00 0.00 176.54 179.08 4pgm h GLN 32 N 0.49 0.38 -0.07 4.80 4.20 -1.20 -0.90 115.11 122.81 4pgm h GLN 32 Ca 0.11 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 4pgm h GLN 32 Cb 0.48 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.19 4pgm h GLN 32 CO 0.02 0.25 -0.85 1.96 -0.67 0.00 0.00 178.83 179.54 4pgm h GLN 33 N 0.39 0.70 -0.37 1.46 4.20 -1.32 -2.72 115.11 117.46 4pgm h GLN 33 Ca 0.30 -0.66 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 4pgm h GLN 33 Cb 0.64 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 4pgm h GLN 33 CO -0.08 1.26 0.10 0.93 -0.67 0.00 0.00 178.83 180.37 4pgm h GLU 34 N 0.38 0.53 -0.19 1.46 5.08 -0.90 -1.04 114.58 119.90 4pgm h GLU 34 Ca -0.09 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 4pgm h GLU 34 Cb 1.50 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 4pgm h GLU 34 CO 0.17 0.48 -0.06 0.00 -1.00 0.00 0.00 179.01 178.60 4pgm h ALA 35 N 1.60 0.27 -0.41 3.43 0.00 -1.15 0.20 119.26 123.20 4pgm h ALA 35 Ca 0.12 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.80 4pgm h ALA 35 Cb 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 4pgm h ALA 35 CO -0.01 0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.57 4pgm h ALA 36 N 0.72 1.79 -0.41 0.00 0.00 -1.10 0.16 119.26 120.42 4pgm h ALA 36 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 4pgm h ALA 36 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 4pgm h ALA 36 CO 0.02 0.17 -0.30 -0.09 0.00 0.00 0.00 179.25 179.05 4pgm h ARG 37 N 0.48 0.93 -0.63 0.00 9.65 -0.82 -0.35 114.38 123.63 4pgm h ARG 37 Ca 0.16 -0.45 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 4pgm h ARG 37 Cb 0.05 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 4pgm h ARG 37 CO -0.04 1.11 0.34 0.00 2.80 0.00 0.00 179.97 184.17 4pgm h ALA 38 N 0.80 0.81 -0.42 2.80 0.00 0.15 -0.26 119.26 123.14 4pgm h ALA 38 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 4pgm h ALA 38 Cb 0.89 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 4pgm h ALA 38 CO 0.08 0.34 -0.05 0.78 0.00 0.00 0.00 179.25 180.40 4pgm h GLY 39 N 0.86 0.76 0.94 0.00 0.00 -0.61 -1.52 103.07 103.51 4pgm h GLY 39 Ca 0.22 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 4pgm h GLY 39 CO -0.03 0.48 0.06 -2.09 0.00 0.00 0.00 176.54 174.95 4pgm h GLU 40 N 0.65 0.68 -0.56 4.80 4.57 -0.37 -1.66 114.58 122.69 4pgm h GLU 40 Ca 0.12 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 4pgm h GLU 40 Cb 0.48 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 4pgm h GLU 40 CO 0.02 0.73 0.32 -0.07 -1.18 0.00 0.00 179.01 178.84 4pgm h LEU 41 N 0.52 0.68 -0.18 1.64 -0.00 -0.83 0.19 115.31 117.34 4pgm h LEU 41 Ca 0.12 -0.08 0.04 0.00 -0.00 0.00 0.00 57.88 57.97 4pgm h LEU 41 Cb 0.39 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 4pgm h LEU 41 CO 0.01 0.56 -0.11 -0.07 -0.00 0.00 0.00 178.44 178.84 4pgm h LEU 42 N 0.75 -0.34 -0.06 1.67 4.07 -1.04 0.43 115.31 120.79 4pgm h LEU 42 Ca 0.20 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 4pgm h LEU 42 Cb 0.01 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 4pgm h LEU 42 CO -0.03 -0.14 0.00 0.50 -1.08 0.00 0.00 178.44 177.69 4pgm h LYS 43 N -0.10 0.11 -0.71 1.13 3.64 -0.94 0.59 116.57 120.30 4pgm h LYS 43 Ca 0.10 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 4pgm h LYS 43 Cb 0.25 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 4pgm h LYS 43 CO -0.24 0.37 0.44 1.49 -2.27 0.00 0.00 179.45 179.25 4pgm h GLU 44 N -0.17 0.85 -0.01 1.90 4.81 -0.45 -2.58 114.58 118.92 4pgm h GLU 44 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 4pgm h GLU 44 Cb 0.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.51 4pgm h GLU 44 CO 0.00 0.56 -0.18 1.63 -0.73 0.00 0.00 179.01 180.29 4pgm n LYS 45 N -4.66 0.80 -2.68 1.92 4.76 0.13 -4.96 118.16 113.47 4pgm n LYS 45 Ca 0.08 -0.39 -0.07 0.00 -2.87 0.00 0.00 58.31 55.05 4pgm n LYS 45 Cb 0.08 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -0.76 -2.63 -3.41 1.97 5.02 -0.81 -5.01 118.16 112.52 4pgm n LYS 46 Ca 0.13 0.31 -0.44 0.00 -2.02 0.00 0.00 58.31 56.29 4pgm n LYS 46 Cb 0.32 -3.74 -0.06 0.00 -0.02 0.00 0.00 35.03 31.53 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 -3.13 4.93 -0.80 -0.18 1.01 0.14 -5.01 120.40 117.36 4pgm s VAL 47 Ca 0.09 -1.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 4pgm s VAL 47 Cb -0.04 -4.16 0.19 0.00 0.00 0.00 0.00 36.38 32.37 4pgm s VAL 47 CO 0.27 -0.88 0.79 -0.31 0.00 0.00 0.00 175.10 174.97 4pgm s TYR 48 N 1.13 3.56 0.49 5.22 2.02 -1.26 -4.60 117.35 123.91 4pgm s TYR 48 Ca 0.08 -1.76 -0.23 0.00 -0.37 0.00 0.00 57.07 54.79 4pgm s TYR 48 Cb -0.24 -3.90 -0.06 0.00 -0.40 0.00 0.00 41.96 37.35 4pgm s TYR 48 CO -0.01 -1.09 1.31 -1.25 -1.57 0.00 0.00 175.55 172.94 4pgm s PRO 49 N 0.87 3.47 -0.13 -1.71 0.04 -1.26 -4.74 135.00 131.55 4pgm s PRO 49 Ca 0.18 2.13 0.15 0.00 0.04 0.00 0.00 61.00 63.51 4pgm s PRO 49 Cb -0.12 -2.41 -0.22 0.00 0.04 0.00 0.00 34.50 31.78 4pgm s PRO 49 CO -0.07 -0.89 0.14 -0.25 0.04 0.00 0.00 177.00 175.97 4pgm n ASP 50 N -0.63 0.93 -3.99 6.66 8.00 0.62 -4.95 116.55 123.18 4pgm n ASP 50 Ca 0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 4pgm n ASP 50 Cb 0.45 1.14 -0.11 0.00 -0.02 0.00 0.00 41.12 42.58 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 -2.61 0.13 -0.07 2.53 1.01 -0.99 -4.10 120.40 116.30 4pgm s VAL 51 Ca -0.08 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.84 4pgm s VAL 51 Cb 0.07 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 4pgm s VAL 51 CO 0.69 -0.61 -0.23 -0.22 0.00 0.00 0.00 175.10 174.73 4pgm s LEU 52 N -1.84 2.04 -0.05 3.92 2.96 -0.24 -1.51 118.68 123.95 4pgm s LEU 52 Ca -0.10 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 4pgm s LEU 52 Cb -0.05 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 4pgm s LEU 52 CO -0.03 0.19 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.63 4pgm s TYR 53 N 0.10 2.42 0.29 5.38 2.02 0.60 -0.65 117.35 127.50 4pgm s TYR 53 Ca -0.10 -0.70 0.03 0.00 -0.37 0.00 0.00 57.07 55.93 4pgm s TYR 53 Cb -0.15 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 4pgm s TYR 53 CO 0.06 -0.20 0.26 0.95 -1.57 0.00 0.00 175.55 175.05 4pgm s THR 54 N -0.21 0.00 0.00 -0.71 -4.23 -0.43 -0.06 115.64 110.00 4pgm s THR 54 Ca -0.02 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 4pgm s THR 54 Cb -0.13 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.20 4pgm s THR 54 CO 0.03 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.57 4pgm n SER 55 N -1.07 0.00 -1.49 3.99 3.41 -1.16 -1.88 113.62 115.42 4pgm n SER 55 Ca 0.05 -0.50 0.10 0.00 -0.26 0.00 0.00 58.87 58.26 4pgm n SER 55 Cb 0.63 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.50 3.30 -3.80 4.33 4.76 -1.24 -4.26 118.16 120.76 4pgm n LYS 56 Ca 0.00 -2.75 -0.36 0.00 -2.87 0.00 0.00 58.31 52.33 4pgm n LYS 56 Cb 0.00 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.31 4pgm n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 4pgm s LEU 57 N -1.49 3.70 0.33 -0.35 1.43 -1.26 -5.00 118.68 116.03 4pgm s LEU 57 Ca 0.50 -0.07 0.11 0.00 -1.03 0.00 0.00 54.13 53.64 4pgm s LEU 57 Cb 0.30 -1.98 0.96 0.00 0.03 0.00 0.00 46.19 45.49 4pgm s LEU 57 CO 0.28 0.03 1.70 0.28 0.23 0.00 0.00 176.35 178.87 4pgm h SER 58 N 7.78 0.60 -0.23 2.29 0.02 -1.88 -1.10 113.55 121.03 4pgm h SER 58 Ca -0.37 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 4pgm h SER 58 Cb 1.18 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 4pgm h SER 58 CO 0.61 0.01 0.14 0.08 -1.14 0.00 0.00 176.83 176.53 4pgm h ARG 59 N 0.48 0.33 0.04 3.45 0.11 -1.92 0.55 114.38 117.41 4pgm h ARG 59 Ca 0.68 -0.03 -0.21 0.00 0.10 0.00 0.00 59.98 60.52 4pgm h ARG 59 Cb 1.39 -0.07 0.02 0.00 1.11 0.00 0.00 29.97 32.41 4pgm h ARG 59 CO -0.53 0.25 -0.83 0.00 0.10 0.00 0.00 179.97 178.96 4pgm h ALA 60 N 1.81 0.05 0.09 0.08 0.00 -1.54 -2.61 119.26 117.15 4pgm h ALA 60 Ca 0.09 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 4pgm h ALA 60 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 4pgm h ALA 60 CO -0.02 0.48 -0.04 0.82 0.00 0.00 0.00 179.25 180.49 4pgm h ILE 61 N 0.03 0.92 -0.66 0.00 2.04 -0.72 -2.36 117.51 116.76 4pgm h ILE 61 Ca -0.11 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.76 4pgm h ILE 61 Cb 1.53 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 4pgm h ILE 61 CO 0.16 0.01 0.38 1.56 0.00 0.00 0.00 178.15 180.26 4pgm h GLN 62 N -0.14 0.69 -0.13 2.37 4.20 -0.06 0.19 115.11 122.23 4pgm h GLN 62 Ca -0.01 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.70 4pgm h GLN 62 Cb 0.11 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 4pgm h GLN 62 CO 0.02 0.46 -0.19 1.15 -0.67 0.00 0.00 178.83 179.60 4pgm h THR 63 N 0.71 0.51 -0.43 -0.54 2.02 -1.11 0.64 112.91 114.71 4pgm h THR 63 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 4pgm h THR 63 Cb 0.14 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 4pgm h THR 63 CO -0.16 0.00 0.23 0.00 0.37 0.00 0.00 175.52 175.96 4pgm h ALA 64 N 0.78 0.55 -0.70 6.16 0.00 -0.99 0.46 119.26 125.51 4pgm h ALA 64 Ca 0.10 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.08 4pgm h ALA 64 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 4pgm h ALA 64 CO -0.27 0.09 0.48 -0.91 0.00 0.00 0.00 179.25 178.63 4pgm h ASN 65 N 0.56 0.24 0.05 0.00 -0.26 0.21 0.11 115.58 116.50 4pgm h ASN 65 Ca 0.15 0.01 -0.33 0.00 -0.56 0.00 0.00 56.30 55.58 4pgm h ASN 65 Cb 0.07 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 4pgm h ASN 65 CO -0.02 0.12 -1.80 -0.38 -1.06 0.00 0.00 177.43 174.29 4pgm n ILE 66 N -4.44 1.64 -0.09 2.81 5.41 0.14 -3.45 119.36 121.38 4pgm n ILE 66 Ca 0.13 -0.37 -0.07 0.00 1.00 0.00 0.00 62.75 63.44 4pgm n ILE 66 Cb 0.59 -1.84 0.01 0.00 -0.71 0.00 0.00 39.64 37.68 4pgm n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 4pgm h ALA 67 N -0.26 0.35 -0.45 -1.39 0.00 0.16 -2.04 119.26 115.64 4pgm h ALA 67 Ca -0.44 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 4pgm h ALA 67 Cb 1.70 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 4pgm h ALA 67 CO -0.10 -0.33 0.07 -0.07 0.00 0.00 0.00 179.25 178.82 4pgm h LEU 68 N 0.19 0.64 -0.70 0.00 4.07 -0.97 -1.02 115.31 117.53 4pgm h LEU 68 Ca 0.15 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 4pgm h LEU 68 Cb 0.16 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 4pgm h LEU 68 CO -0.19 0.67 0.43 -0.08 -1.08 0.00 0.00 178.44 178.19 4pgm h GLU 69 N 0.66 0.94 0.00 1.13 4.22 -1.41 -0.14 114.58 119.98 4pgm h GLU 69 Ca 0.14 -0.08 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 4pgm h GLU 69 Cb 0.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 4pgm h GLU 69 CO 0.00 0.66 -0.42 0.87 -2.18 0.00 0.00 179.01 177.95 4pgm h LYS 70 N 0.95 0.00 -0.00 1.92 1.79 -1.16 -2.77 116.57 117.30 4pgm h LYS 70 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 4pgm h LYS 70 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 4pgm h LYS 70 CO -0.05 0.42 -0.22 0.00 -1.08 0.00 0.00 179.45 178.51 4pgm n ALA 71 N -2.27 2.96 -3.56 3.86 0.00 -0.41 -4.67 120.51 116.42 4pgm n ALA 71 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 4pgm n ALA 71 Cb 0.58 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.14 -5.21 -2.72 0.00 8.00 -0.14 -4.84 116.55 110.51 4pgm n ASP 72 Ca 0.10 -0.57 -0.02 0.00 0.71 0.00 0.00 54.79 55.02 4pgm n ASP 72 Cb 0.32 -5.04 0.05 0.00 -0.02 0.00 0.00 41.12 36.42 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 -4.78 1.87 0.00 -1.24 1.74 -0.75 -4.87 116.66 108.63 4pgm n ARG 73 Ca -0.07 -3.54 0.11 0.00 -0.77 0.00 0.00 57.85 53.58 4pgm n ARG 73 Cb 0.59 -1.64 0.49 0.00 -1.02 0.00 0.00 32.46 30.89 4pgm n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 4pgm n LEU 74 N -0.59 0.00 0.14 0.55 7.94 -1.24 -2.76 117.00 121.05 4pgm n LEU 74 Ca 0.11 0.43 0.12 0.00 -1.11 0.00 0.00 56.01 55.56 4pgm n LEU 74 Cb 0.82 -0.43 0.16 0.00 0.53 0.00 0.00 43.42 44.51 4pgm n LEU 74 CO 0.10 -0.11 0.53 4.11 -1.11 0.00 0.00 177.39 180.91 4pgm h TRP 75 N 0.00 0.00 -2.53 1.96 5.08 -1.93 -3.47 115.95 115.06 4pgm h TRP 75 Ca 0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 4pgm h TRP 75 Cb 0.32 0.00 0.13 0.00 -3.00 0.00 0.00 29.16 26.61 4pgm h TRP 75 CO 0.00 0.00 -0.06 -0.89 -1.28 0.00 0.00 178.44 176.21 4pgm n ILE 76 N -2.68 2.08 -2.06 0.12 -0.00 -1.11 -4.92 119.36 110.79 4pgm n ILE 76 Ca 0.03 -0.50 -0.41 0.00 -0.00 0.00 0.00 62.75 61.87 4pgm n ILE 76 Cb 0.50 -0.84 -0.02 0.00 -0.00 0.00 0.00 39.64 39.28 4pgm n ILE 76 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 4pgm s PRO 77 N -1.68 4.31 -0.15 0.38 0.02 -1.26 -4.85 135.00 131.77 4pgm s PRO 77 Ca 0.62 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.87 4pgm s PRO 77 Cb -0.64 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 4pgm s PRO 77 CO 0.58 -0.30 -0.05 0.08 -0.33 0.00 0.00 177.00 176.97 4pgm s VAL 78 N -0.61 3.77 -0.05 3.83 1.01 -1.26 -1.08 120.40 126.01 4pgm s VAL 78 Ca 0.54 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.14 4pgm s VAL 78 Cb -0.41 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.34 4pgm s VAL 78 CO 0.49 0.50 -0.14 0.20 0.00 0.00 0.00 175.10 176.15 4pgm s ASN 79 N 0.31 1.89 0.15 3.32 -0.87 0.17 -4.99 114.94 114.92 4pgm s ASN 79 Ca -0.05 -0.31 0.09 0.00 -1.57 0.00 0.00 52.86 51.02 4pgm s ASN 79 Cb -0.14 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.25 40.34 4pgm s ASN 79 CO 0.03 0.08 -0.20 -0.13 -2.57 0.00 0.00 177.10 174.32 4pgm s ARG 80 N 0.38 1.27 -0.23 -0.60 0.52 -1.26 -1.32 118.95 117.70 4pgm s ARG 80 Ca -0.10 -1.36 -0.22 0.00 -0.52 0.00 0.00 55.73 53.54 4pgm s ARG 80 Cb -0.14 -1.42 0.06 0.00 0.52 0.00 0.00 34.95 33.97 4pgm s ARG 80 CO 0.03 0.30 0.62 0.45 0.02 0.00 0.00 175.30 176.73 4pgm s SER 81 N -2.46 -0.65 0.33 0.23 0.15 -0.79 -4.97 113.70 105.55 4pgm s SER 81 Ca 0.14 1.25 0.01 0.00 0.70 0.00 0.00 55.95 58.05 4pgm s SER 81 Cb -0.07 1.27 0.56 0.00 -1.71 0.00 0.00 66.02 66.06 4pgm s SER 81 CO 0.06 -0.22 1.96 4.11 1.20 0.00 0.00 173.24 180.35 4pgm h TRP 82 N 5.16 0.83 0.00 3.44 5.08 -1.90 -2.23 115.95 126.33 4pgm h TRP 82 Ca -0.28 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.68 4pgm h TRP 82 Cb 1.17 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 4pgm h TRP 82 CO 0.39 0.57 0.21 0.54 -1.28 0.00 0.00 178.44 178.88 4pgm n ARG 83 N -4.39 0.04 -0.08 0.12 1.74 -1.26 0.19 116.66 113.03 4pgm n ARG 83 Ca 0.06 0.44 0.09 0.00 -0.77 0.00 0.00 57.85 57.67 4pgm n ARG 83 Cb 0.09 -1.86 0.12 0.00 -1.02 0.00 0.00 32.46 29.80 4pgm n ARG 83 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 4pgm n LEU 84 N -1.67 2.79 -4.74 0.55 4.77 -0.84 -4.15 117.00 113.71 4pgm n LEU 84 Ca -0.00 -1.27 -0.34 0.00 -0.03 0.00 0.00 56.01 54.37 4pgm n LEU 84 Cb 0.22 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 4pgm n LEU 84 CO 0.03 0.56 0.77 0.20 -1.33 0.00 0.00 177.39 177.62 4pgm s ASN 85 N -1.38 4.60 0.89 -1.43 -0.87 0.13 -4.19 114.94 112.69 4pgm s ASN 85 Ca 0.26 2.20 -0.11 0.00 -1.57 0.00 0.00 52.86 53.64 4pgm s ASN 85 Cb 0.16 -2.57 0.13 0.00 -0.02 0.00 0.00 41.25 38.95 4pgm s ASN 85 CO 0.24 -1.98 1.15 -0.70 -2.57 0.00 0.00 177.10 173.24 4pgm s GLU 86 N -3.98 1.16 0.40 -0.60 2.56 -1.26 -4.64 118.70 112.34 4pgm s GLU 86 Ca 0.71 1.56 -0.27 0.00 0.00 0.00 0.00 54.97 56.98 4pgm s GLU 86 Cb -0.25 -1.74 -0.10 0.00 2.00 0.00 0.00 34.13 34.03 4pgm s GLU 86 CO 0.43 -2.53 1.41 -2.13 -0.56 0.00 0.00 175.26 171.89 4pgm n ARG 87 N -4.07 2.36 -2.68 4.30 0.00 -1.26 -4.69 116.66 110.61 4pgm n ARG 87 Ca 0.12 0.83 -0.43 0.00 -0.00 0.00 0.00 57.85 58.38 4pgm n ARG 87 Cb 0.52 -2.57 -0.02 0.00 0.00 0.00 0.00 32.46 30.38 4pgm n ARG 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 4pgm s HIS 88 N -1.15 3.26 -2.00 -0.14 5.65 -1.26 -4.18 115.29 115.47 4pgm s HIS 88 Ca 0.57 1.31 0.23 0.00 0.25 0.00 0.00 55.06 57.42 4pgm s HIS 88 Cb -0.48 -3.40 1.36 0.00 -1.18 0.00 0.00 32.58 28.88 4pgm s HIS 88 CO 0.61 -0.58 1.81 0.66 -0.65 0.00 0.00 174.74 176.59 4pgm n TYR 89 N 6.49 0.00 -0.19 3.88 4.01 -1.26 -0.97 117.16 129.12 4pgm n TYR 89 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 4pgm n TYR 89 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 0.70 3.08 0.25 2.72 0.00 -1.24 -2.21 105.19 108.49 4pgm n GLY 90 Ca 0.17 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.39 0.00 0.27 1.61 3.58 -0.65 -2.84 116.42 118.79 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 0.15 0.00 0.18 -2.88 0.00 0.00 179.24 176.69 4pgm n LEU 92 N -3.52 0.00 0.34 2.28 4.32 -0.94 -4.32 117.00 115.16 4pgm n LEU 92 Ca -0.01 0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 56.01 4pgm n LEU 92 Cb 0.30 -0.20 -0.09 0.00 -1.62 0.00 0.00 43.42 41.81 4pgm n LEU 92 CO 0.31 -0.07 0.63 1.56 -1.22 0.00 0.00 177.39 178.60 4pgm h GLN 93 N 0.00 -0.86 -2.24 3.23 4.20 -1.63 -2.72 115.11 115.09 4pgm h GLN 93 Ca 0.00 0.06 -0.62 0.00 0.06 0.00 0.00 58.65 58.15 4pgm h GLN 93 Cb 0.14 0.20 -0.17 0.00 0.30 0.00 0.00 27.48 27.95 4pgm h GLN 93 CO 0.00 -0.57 1.21 0.41 -0.67 0.00 0.00 178.83 179.21 4pgm n GLY 94 N -1.49 4.81 3.07 3.46 0.00 -1.26 -3.84 105.19 109.94 4pgm n GLY 94 Ca -0.13 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.74 1.52 0.18 1.61 1.02 -1.03 -5.00 119.74 116.30 4pgm s LYS 95 Ca 0.56 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 4pgm s LYS 95 Cb 0.30 -1.32 -0.10 0.00 -0.52 0.00 0.00 37.83 36.19 4pgm s LYS 95 CO -0.18 0.16 1.55 0.34 -0.92 0.00 0.00 175.35 176.29 4pgm s ASP 96 N 0.22 6.59 0.05 2.83 -1.08 -1.26 -1.71 116.67 122.31 4pgm s ASP 96 Ca -0.06 2.62 -0.25 0.00 -0.52 0.00 0.00 52.55 54.34 4pgm s ASP 96 Cb -0.12 -2.60 -0.17 0.00 -1.46 0.00 0.00 42.92 38.58 4pgm s ASP 96 CO 0.02 -0.81 1.52 0.11 0.52 0.00 0.00 175.17 176.53 4pgm h LYS 97 N 6.53 -0.16 -0.61 4.34 1.57 -0.91 -2.51 116.57 124.81 4pgm h LYS 97 Ca -0.43 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.48 4pgm h LYS 97 Cb 1.21 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 4pgm h LYS 97 CO 0.89 0.04 0.41 0.00 -0.57 0.00 0.00 179.45 180.23 4pgm h ALA 98 N 0.50 2.17 -0.12 3.86 0.00 -1.92 -0.63 119.26 123.13 4pgm h ALA 98 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 4pgm h ALA 98 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 4pgm h ALA 98 CO 0.03 -0.33 -0.33 0.93 0.00 0.00 0.00 179.25 179.55 4pgm h GLU 99 N 0.29 0.43 0.00 0.00 5.08 -1.91 -2.96 114.58 115.51 4pgm h GLU 99 Ca 0.29 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 4pgm h GLU 99 Cb 0.74 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.04 4pgm h GLU 99 CO -0.07 0.93 0.00 1.79 -1.00 0.00 0.00 179.01 180.66 4pgm h THR 100 N 0.02 0.00 -0.00 1.13 1.35 -0.81 0.44 112.91 115.04 4pgm h THR 100 Ca -0.01 -0.47 -0.17 0.00 -0.55 0.00 0.00 66.41 65.21 4pgm h THR 100 Cb 0.95 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 4pgm h THR 100 CO 0.07 0.00 -0.78 0.25 -0.25 0.00 0.00 175.52 174.81 4pgm h LEU 101 N 0.00 0.06 0.00 3.87 5.85 -1.15 -1.51 115.31 122.43 4pgm h LEU 101 Ca 0.00 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 4pgm h LEU 101 Cb 0.51 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 4pgm h LEU 101 CO 0.00 0.82 -0.45 0.11 -0.34 0.00 0.00 178.44 178.58 4pgm h LYS 102 N 0.03 0.00 -0.47 1.25 1.57 -1.17 -3.38 116.57 114.40 4pgm h LYS 102 Ca -0.01 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 4pgm h LYS 102 Cb 1.38 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.59 4pgm h LYS 102 CO 0.11 0.64 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.01 4pgm h LYS 103 N -1.00 -0.25 -5.39 3.15 3.64 -0.22 -3.37 116.57 113.12 4pgm h LYS 103 Ca -0.10 0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.67 4pgm h LYS 103 Cb 0.81 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.56 4pgm h LYS 103 CO -0.06 -0.17 -0.52 -0.06 -2.27 0.00 0.00 179.45 176.37 4pgm s PHE 104 N -5.91 3.38 0.27 1.91 0.08 -0.57 -5.07 117.98 112.07 4pgm s PHE 104 Ca -0.15 0.28 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 4pgm s PHE 104 Cb 0.13 -2.07 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 4pgm s PHE 104 CO 0.67 0.35 0.79 0.20 -0.10 0.00 0.00 175.22 177.12 4pgm s GLY 105 N -0.00 2.61 0.00 4.36 0.00 -1.26 -4.41 107.32 108.62 4pgm s GLY 105 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.04 4pgm s GLY 105 CO 0.00 0.59 0.00 1.18 0.00 0.00 0.00 173.10 174.87 4pgm n GLU 106 N 0.48 0.00 -0.27 2.90 -0.58 -1.26 0.45 120.64 122.36 4pgm n GLU 106 Ca -0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 4pgm n GLU 106 Cb 0.51 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.50 4pgm n GLU 106 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 4pgm h GLU 107 N 0.00 0.02 0.08 3.49 4.81 -1.99 0.40 114.58 121.39 4pgm h GLU 107 Ca 0.00 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 4pgm h GLU 107 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 4pgm h GLU 107 CO 0.00 0.02 -1.15 0.87 -0.73 0.00 0.00 179.01 178.01 4pgm h LYS 108 N 0.03 0.17 0.71 1.92 1.79 -0.32 -3.33 116.57 117.53 4pgm h LYS 108 Ca 0.39 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 4pgm h LYS 108 Cb 0.64 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 4pgm h LYS 108 CO -0.77 1.14 -0.42 0.35 -1.08 0.00 0.00 179.45 178.67 4pgm h PHE 109 N -0.54 -1.10 -0.53 -1.35 3.57 -1.50 -2.31 116.94 113.18 4pgm h PHE 109 Ca -0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 4pgm h PHE 109 Cb 1.56 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 40.66 4pgm h PHE 109 CO 0.15 -0.64 0.30 -0.97 -2.23 0.00 0.00 178.31 174.92 4pgm h ASN 110 N -1.05 0.64 0.28 0.41 -0.73 -1.16 -2.89 115.58 111.08 4pgm h ASN 110 Ca -0.09 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 4pgm h ASN 110 Cb 0.84 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.27 4pgm h ASN 110 CO 0.10 0.51 -0.14 0.71 -0.37 0.00 0.00 177.43 178.25 4pgm h THR 111 N 0.73 0.74 -0.97 -3.57 1.35 -1.64 -0.75 112.91 108.81 4pgm h THR 111 Ca 0.19 -0.56 0.24 0.00 -0.55 0.00 0.00 66.41 65.73 4pgm h THR 111 Cb 0.01 1.04 -0.07 0.00 -1.73 0.00 0.00 68.15 67.40 4pgm h THR 111 CO -0.03 0.11 0.65 1.88 -0.25 0.00 0.00 175.52 177.88 4pgm h TYR 112 N -0.69 0.47 0.21 4.73 0.05 -1.39 0.55 116.97 120.90 4pgm h TYR 112 Ca -0.04 0.02 -0.32 0.00 0.05 0.00 0.00 58.73 58.44 4pgm h TYR 112 Cb 0.48 -0.14 0.02 0.00 1.01 0.00 0.00 36.73 38.10 4pgm h TYR 112 CO 0.02 0.09 -1.43 0.00 -1.05 0.00 0.00 178.16 175.78 4pgm h ARG 113 N 0.32 0.44 0.00 4.88 3.08 -1.33 -3.42 114.38 118.35 4pgm h ARG 113 Ca 0.51 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.82 4pgm h ARG 113 Cb 1.42 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.75 4pgm h ARG 113 CO -0.18 1.35 0.00 0.54 -1.07 0.00 0.00 179.97 180.61 4pgm n ARG 114 N -3.64 0.59 -2.21 0.04 5.12 -0.30 -5.04 116.66 111.22 4pgm n ARG 114 Ca -0.15 -0.65 -0.40 0.00 -1.93 0.00 0.00 57.85 54.73 4pgm n ARG 114 Cb 1.08 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 31.63 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 -0.26 6.66 -0.11 0.55 0.15 0.19 -4.72 113.70 116.15 4pgm s SER 115 Ca 0.00 2.51 -0.05 0.00 0.70 0.00 0.00 55.95 59.11 4pgm s SER 115 Cb 0.00 -2.63 -0.26 0.00 -1.71 0.00 0.00 66.02 61.42 4pgm s SER 115 CO 0.00 -0.60 0.41 0.33 1.20 0.00 0.00 173.24 174.58 4pgm n PHE 116 N 0.47 1.27 0.01 3.44 -0.00 -1.26 -4.30 117.46 117.08 4pgm n PHE 116 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 4pgm n PHE 116 Cb 0.44 -1.17 -0.10 0.00 -0.00 0.00 0.00 39.48 38.65 4pgm n PHE 116 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 4pgm n ASP 117 N -3.45 0.61 -4.36 -2.13 -0.08 -1.26 -1.53 116.55 104.36 4pgm n ASP 117 Ca -0.30 0.27 -0.34 0.00 -1.51 0.00 0.00 54.79 52.90 4pgm n ASP 117 Cb 1.05 0.55 -0.14 0.00 2.34 0.00 0.00 41.12 44.92 4pgm n ASP 117 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 4pgm s VAL 118 N -2.95 3.42 0.64 5.18 1.01 -1.26 -4.93 120.40 121.50 4pgm s VAL 118 Ca -0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 4pgm s VAL 118 Cb 0.09 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.95 4pgm s VAL 118 CO 0.83 0.45 0.98 -2.16 0.00 0.00 0.00 175.10 175.20 4pgm s PRO 119 N 1.06 2.92 1.10 2.72 0.04 -1.26 -4.71 135.00 136.88 4pgm s PRO 119 Ca 0.01 0.20 -0.16 0.00 0.04 0.00 0.00 61.00 61.09 4pgm s PRO 119 Cb -0.15 -2.17 0.24 0.00 0.04 0.00 0.00 34.50 32.47 4pgm s PRO 119 CO -0.00 -0.82 1.11 -2.14 0.04 0.00 0.00 177.00 175.19 4pgm s PRO 120 N -5.14 -0.43 0.32 0.56 0.02 -1.26 -4.96 135.00 124.11 4pgm s PRO 120 Ca 0.55 0.14 -0.29 0.00 0.02 0.00 0.00 61.00 61.43 4pgm s PRO 120 Cb -0.11 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 4pgm s PRO 120 CO 0.48 -3.23 1.27 -2.14 -0.33 0.00 0.00 177.00 173.06 4pgm s PRO 121 N -5.26 4.40 0.32 5.54 0.02 -1.26 -4.82 135.00 133.94 4pgm s PRO 121 Ca 0.69 2.15 -0.29 0.00 0.02 0.00 0.00 61.00 63.57 4pgm s PRO 121 Cb -0.13 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.20 4pgm s PRO 121 CO 0.56 -0.13 1.34 -1.25 -0.33 0.00 0.00 177.00 177.20 4pgm s PRO 122 N -1.71 4.32 0.09 5.54 0.04 -1.26 -0.05 135.00 141.97 4pgm s PRO 122 Ca 0.48 2.26 -0.23 0.00 0.04 0.00 0.00 61.00 63.54 4pgm s PRO 122 Cb -0.38 -3.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 4pgm s PRO 122 CO 0.51 -0.25 0.71 -1.50 0.04 0.00 0.00 177.00 176.51 4pgm s ILE 123 N -0.93 4.60 0.49 0.56 2.07 -1.14 -4.30 121.20 122.55 4pgm s ILE 123 Ca 0.51 1.54 -0.19 0.00 -1.41 0.00 0.00 60.65 61.10 4pgm s ILE 123 Cb -0.41 -4.06 -0.08 0.00 0.13 0.00 0.00 42.46 38.04 4pgm s ILE 123 CO 0.52 0.47 1.00 -0.62 -1.91 0.00 0.00 174.94 174.40 4pgm s ASP 124 N -0.72 6.52 0.60 4.50 2.15 -1.26 -4.91 116.67 123.55 4pgm s ASP 124 Ca 0.35 1.74 0.34 0.00 0.43 0.00 0.00 52.55 55.41 4pgm s ASP 124 Cb -0.21 -2.54 1.94 0.00 -0.30 0.00 0.00 42.92 41.81 4pgm s ASP 124 CO 0.23 -0.65 2.26 0.00 -0.17 0.00 0.00 175.17 176.83 4pgm h ALA 125 N 1.33 1.32 -0.11 3.66 0.00 -1.98 -2.48 119.26 120.99 4pgm h ALA 125 Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 4pgm h ALA 125 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 4pgm h ALA 125 CO 0.60 0.02 -0.59 0.66 0.00 0.00 0.00 179.25 179.94 4pgm h SER 126 N 0.00 0.41 -2.93 0.00 4.64 -1.98 -3.46 113.55 110.22 4pgm h SER 126 Ca -0.00 -0.23 -0.59 0.00 -0.47 0.00 0.00 61.79 60.50 4pgm h SER 126 Cb 0.07 -0.12 0.12 0.00 -0.31 0.00 0.00 62.40 62.16 4pgm h SER 126 CO 0.00 0.91 0.27 -0.24 -0.87 0.00 0.00 176.83 176.90 4pgm n SER 127 N -3.90 1.81 0.00 4.97 2.88 -0.93 -4.86 113.62 113.59 4pgm n SER 127 Ca -0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 4pgm n SER 127 Cb 0.62 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.72 4pgm n SER 127 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 4pgm n PRO 128 N 0.50 0.94 -0.06 -1.46 -0.04 -1.26 -2.79 135.00 130.83 4pgm n PRO 128 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 4pgm n PRO 128 Cb 0.35 -1.01 0.09 0.00 -0.04 0.00 0.00 33.50 32.89 4pgm n PRO 128 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4pgm n PHE 129 N -0.51 0.00 -3.84 0.54 3.72 -1.26 -5.02 117.46 111.09 4pgm n PHE 129 Ca 0.00 -0.78 -0.33 0.00 -0.05 0.00 0.00 57.45 56.29 4pgm n PHE 129 Cb 0.00 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.13 6.42 0.00 4.37 0.15 -1.12 -4.80 113.70 116.59 4pgm s SER 130 Ca 0.19 0.43 0.20 0.00 0.70 0.00 0.00 55.95 57.47 4pgm s SER 130 Cb 0.17 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 4pgm s SER 130 CO 0.02 0.22 0.98 0.00 1.20 0.00 0.00 173.24 175.66 4pgm n GLN 131 N 0.80 1.26 -1.67 5.44 3.00 -1.26 -4.97 117.38 119.98 4pgm n GLN 131 Ca -0.09 -0.79 -0.60 0.00 -0.01 0.00 0.00 57.00 55.50 4pgm n GLN 131 Cb 0.52 -1.41 -0.08 0.00 0.00 0.00 0.00 30.24 29.27 4pgm n GLN 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 4pgm n LYS 132 N -0.27 0.71 -0.62 -1.09 0.00 -1.26 -0.06 118.16 115.57 4pgm n LYS 132 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.64 4pgm n LYS 132 Cb 0.41 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.53 4pgm n LYS 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 4pgm n GLY 133 N 4.58 0.67 3.75 3.14 0.00 -1.26 -5.04 105.19 111.03 4pgm n GLY 133 Ca 0.31 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.20 7.11 0.25 1.61 -1.08 0.91 -4.96 116.67 118.31 4pgm s ASP 134 Ca 0.00 2.34 -0.05 0.00 -0.52 0.00 0.00 52.55 54.33 4pgm s ASP 134 Cb 0.00 -2.62 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 4pgm s ASP 134 CO 0.00 -0.29 1.68 -0.08 0.52 0.00 0.00 175.17 177.00 4pgm h GLU 135 N 4.18 0.26 0.00 4.34 4.81 -1.96 -0.68 114.58 125.53 4pgm h GLU 135 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 4pgm h GLU 135 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 4pgm h GLU 135 CO 0.69 0.17 0.00 2.89 -0.73 0.00 0.00 179.01 182.03 4pgm n ARG 136 N -5.16 0.06 -0.31 1.92 1.85 -1.26 -1.96 116.66 111.81 4pgm n ARG 136 Ca 0.14 0.43 0.08 0.00 -1.00 0.00 0.00 57.85 57.50 4pgm n ARG 136 Cb 0.46 -1.64 0.17 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.75 0.11 0.72 2.89 4.01 -0.27 -4.72 117.16 118.14 4pgm n TYR 137 Ca 0.01 -1.19 0.13 0.00 -0.16 0.00 0.00 57.90 56.69 4pgm n TYR 137 Cb 0.10 -0.21 0.47 0.00 -0.31 0.00 0.00 39.34 39.39 4pgm n TYR 137 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 4pgm n LYS 138 N -1.26 0.18 -0.28 -0.72 2.85 -0.83 -3.10 118.16 114.99 4pgm n LYS 138 Ca 0.18 0.16 0.12 0.00 -1.05 0.00 0.00 58.31 57.72 4pgm n LYS 138 Cb 0.69 -1.72 0.27 0.00 -0.65 0.00 0.00 35.03 33.63 4pgm n LYS 138 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 4pgm n TYR 139 N -2.03 0.75 -4.27 5.58 4.01 -1.26 -4.90 117.16 115.03 4pgm n TYR 139 Ca 0.06 -0.37 -0.32 0.00 -0.16 0.00 0.00 57.90 57.11 4pgm n TYR 139 Cb 0.39 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.25 4.04 -0.28 -0.72 1.01 -1.18 -5.05 120.40 116.97 4pgm s VAL 140 Ca 0.44 -0.72 -0.39 0.00 0.00 0.00 0.00 61.98 61.32 4pgm s VAL 140 Cb 0.24 -2.83 -0.14 0.00 0.00 0.00 0.00 36.38 33.65 4pgm s VAL 140 CO 0.33 0.32 1.87 -0.67 0.00 0.00 0.00 175.10 176.95 4pgm n ASP 141 N 1.22 2.41 -0.05 3.32 2.03 -1.26 -4.85 116.55 119.37 4pgm n ASP 141 Ca -0.14 0.91 0.17 0.00 0.52 0.00 0.00 54.79 56.26 4pgm n ASP 141 Cb 0.52 -1.18 0.60 0.00 -0.72 0.00 0.00 41.12 40.35 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 8.59 0.18 0.00 -0.67 0.11 -1.94 -2.03 132.00 136.25 4pgm h PRO 142 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 4pgm h PRO 142 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 4pgm h PRO 142 CO 0.98 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.98 4pgm n ASN 143 N -4.43 0.49 0.01 -2.05 3.02 -1.26 -3.38 115.26 107.66 4pgm n ASN 143 Ca 0.11 0.61 -0.02 0.00 -0.03 0.00 0.00 54.58 55.25 4pgm n ASN 143 Cb 0.53 -0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 4pgm n ASN 143 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 4pgm n VAL 144 N -2.03 1.20 -1.74 2.41 3.14 -0.76 -4.91 118.33 115.64 4pgm n VAL 144 Ca 0.03 -0.71 -0.42 0.00 -2.96 0.00 0.00 64.34 60.27 4pgm n VAL 144 Cb 0.23 -0.71 -0.03 0.00 -1.06 0.00 0.00 33.84 32.27 4pgm n VAL 144 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 4pgm s LEU 145 N -5.72 4.41 0.46 6.55 2.01 -1.22 -4.96 118.68 120.22 4pgm s LEU 145 Ca -0.04 2.61 -0.22 0.00 0.01 0.00 0.00 54.13 56.49 4pgm s LEU 145 Cb 0.09 -3.54 -0.08 0.00 0.01 0.00 0.00 46.19 42.67 4pgm s LEU 145 CO 0.82 -1.02 1.07 -2.16 1.01 0.00 0.00 176.35 176.07 4pgm s PRO 146 N 4.11 3.85 0.00 1.29 0.04 -1.26 -4.98 135.00 138.05 4pgm s PRO 146 Ca 0.85 1.51 0.13 0.00 0.04 0.00 0.00 61.00 63.53 4pgm s PRO 146 Cb -0.41 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 4pgm s PRO 146 CO 0.39 -0.42 0.63 0.39 0.04 0.00 0.00 177.00 178.03 4pgm n GLU 147 N -0.66 2.37 -3.50 4.56 1.02 -1.26 -4.98 120.64 118.19 4pgm n GLU 147 Ca 0.08 -0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 56.86 4pgm n GLU 147 Cb 0.51 -1.15 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 4pgm n GLU 147 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 4pgm s THR 148 N -2.06 0.00 -0.08 2.62 -4.23 -1.26 -2.90 115.64 107.73 4pgm s THR 148 Ca 0.07 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 4pgm s THR 148 Cb 0.10 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.98 4pgm s THR 148 CO 0.47 0.00 0.40 -1.61 -0.54 0.00 0.00 174.62 173.35 4pgm s GLU 149 N -2.57 0.64 0.42 3.99 2.02 -0.14 -4.83 118.70 118.23 4pgm s GLU 149 Ca 0.01 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.28 4pgm s GLU 149 Cb -0.01 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 4pgm s GLU 149 CO -0.05 -0.15 0.45 -1.54 0.02 0.00 0.00 175.26 173.99 4pgm s SER 150 N -0.64 5.23 0.19 -0.19 1.04 -1.26 -4.41 113.70 113.66 4pgm s SER 150 Ca -0.07 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 4pgm s SER 150 Cb -0.04 -0.56 0.11 0.00 0.10 0.00 0.00 66.02 65.63 4pgm s SER 150 CO 0.03 -0.71 1.82 0.25 0.98 0.00 0.00 173.24 175.61 4pgm h LEU 151 N 0.88 0.79 -0.74 2.42 6.46 -1.74 -2.21 115.31 121.17 4pgm h LEU 151 Ca -0.41 -0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.41 4pgm h LEU 151 Cb 1.27 -0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 40.87 4pgm h LEU 151 CO 0.53 0.63 -0.32 0.00 -0.62 0.00 0.00 178.44 178.67 4pgm h ALA 152 N 1.19 0.14 -0.64 1.25 0.00 -1.61 0.23 119.26 119.83 4pgm h ALA 152 Ca 0.23 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 4pgm h ALA 152 Cb 0.00 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 4pgm h ALA 152 CO -0.04 -0.60 0.27 -0.07 0.00 0.00 0.00 179.25 178.81 4pgm h LEU 153 N -0.08 0.87 -0.12 0.00 4.07 -1.76 -2.07 115.31 116.21 4pgm h LEU 153 Ca 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 4pgm h LEU 153 Cb 0.57 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 4pgm h LEU 153 CO -0.79 0.79 0.07 0.58 -1.08 0.00 0.00 178.44 178.01 4pgm h VAL 154 N 0.89 1.08 -0.06 1.22 2.07 -0.26 -1.40 116.25 119.79 4pgm h VAL 154 Ca 0.21 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 4pgm h VAL 154 Cb 0.18 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 4pgm h VAL 154 CO -0.02 0.07 0.04 0.40 0.02 0.00 0.00 177.57 178.08 4pgm h ILE 155 N 0.12 1.02 -0.17 4.57 2.04 -0.54 -1.35 117.51 123.20 4pgm h ILE 155 Ca 0.04 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 4pgm h ILE 155 Cb 0.05 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 4pgm h ILE 155 CO -0.01 0.02 -0.33 0.44 0.00 0.00 0.00 178.15 178.27 4pgm h ASP 156 N 0.09 0.59 0.84 1.72 3.32 -0.57 -1.12 116.42 121.29 4pgm h ASP 156 Ca 0.02 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.52 4pgm h ASP 156 Cb -0.00 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.38 4pgm h ASP 156 CO -0.00 1.03 -0.35 -2.11 -1.72 0.00 0.00 179.24 176.09 4pgm n ARG 157 N -4.33 0.11 0.00 3.56 -4.01 -0.63 -3.96 116.66 107.40 4pgm n ARG 157 Ca -0.06 0.05 -0.22 0.00 -1.04 0.00 0.00 57.85 56.58 4pgm n ARG 157 Cb 0.49 -1.59 -0.14 0.00 -3.04 0.00 0.00 32.46 28.19 4pgm n ARG 157 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 4pgm h LEU 158 N 0.00 0.38 -0.85 2.89 6.46 -1.24 -3.40 115.31 119.55 4pgm h LEU 158 Ca 0.00 -0.87 0.22 0.00 -0.12 0.00 0.00 57.88 57.11 4pgm h LEU 158 Cb 0.59 -0.12 -0.14 0.00 -0.73 0.00 0.00 40.66 40.26 4pgm h LEU 158 CO 0.00 1.75 0.19 -0.07 -0.62 0.00 0.00 178.44 179.69 4pgm h LEU 159 N -0.15 -0.06 -1.99 2.25 3.38 -1.32 -1.41 115.31 115.99 4pgm h LEU 159 Ca -0.38 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 4pgm h LEU 159 Cb 1.89 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.91 4pgm h LEU 159 CO 0.05 -0.15 -0.09 1.55 0.09 0.00 0.00 178.44 179.89 4pgm h PRO 160 N 0.20 0.00 0.02 1.13 0.13 -1.77 0.62 132.00 132.32 4pgm h PRO 160 Ca 0.52 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.54 4pgm h PRO 160 Cb 1.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.15 4pgm h PRO 160 CO -0.65 0.09 -0.45 -0.92 -0.23 0.00 0.00 178.00 175.84 4pgm h TYR 161 N 0.00 0.43 -0.22 1.56 3.20 -1.51 -2.61 116.97 117.82 4pgm h TYR 161 Ca -0.00 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 61.64 4pgm h TYR 161 Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 4pgm h TYR 161 CO 0.00 1.07 0.10 2.35 -1.64 0.00 0.00 178.16 180.04 4pgm h TRP 162 N -0.34 0.18 -0.94 -3.82 2.91 -1.16 -0.06 115.95 112.72 4pgm h TRP 162 Ca -0.06 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.97 4pgm h TRP 162 Cb 1.21 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 4pgm h TRP 162 CO 0.17 0.09 0.60 1.96 -1.03 0.00 0.00 178.44 180.24 4pgm h GLN 163 N 0.21 1.26 0.00 2.65 4.20 -0.94 0.15 115.11 122.64 4pgm h GLN 163 Ca 0.09 -0.09 -0.42 0.00 0.06 0.00 0.00 58.65 58.29 4pgm h GLN 163 Cb 0.04 -0.27 -0.06 0.00 0.30 0.00 0.00 27.48 27.48 4pgm h GLN 163 CO -0.08 0.85 -2.38 -0.25 -0.67 0.00 0.00 178.83 176.30 4pgm n ASP 164 N -4.40 1.96 -0.05 1.46 9.92 -0.98 -4.53 116.55 119.93 4pgm n ASP 164 Ca 0.11 0.24 -0.02 0.00 -0.53 0.00 0.00 54.79 54.59 4pgm n ASP 164 Cb 0.03 -0.75 -0.01 0.00 -0.64 0.00 0.00 41.12 39.75 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 -0.74 0.00 -0.56 2.53 2.07 -1.18 -3.32 116.25 115.04 4pgm h VAL 165 Ca -0.63 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 4pgm h VAL 165 Cb 1.66 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 4pgm h VAL 165 CO -0.31 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.66 4pgm h ILE 166 N -0.74 1.26 -0.92 4.57 2.04 -1.44 -2.64 117.51 119.65 4pgm h ILE 166 Ca 0.00 -1.14 0.16 0.00 1.00 0.00 0.00 64.86 64.88 4pgm h ILE 166 Cb 0.23 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 4pgm h ILE 166 CO 0.00 0.41 0.59 0.00 0.00 0.00 0.00 178.15 179.15 4pgm h ALA 167 N 1.07 1.83 -0.22 1.87 0.00 -0.94 -1.62 119.26 121.26 4pgm h ALA 167 Ca 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 4pgm h ALA 167 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 4pgm h ALA 167 CO 0.03 -0.10 0.05 -0.22 0.00 0.00 0.00 179.25 179.01 4pgm h LYS 168 N 0.69 0.35 -0.40 0.00 3.64 -1.57 0.13 116.57 119.40 4pgm h LYS 168 Ca 0.47 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 4pgm h LYS 168 Cb 0.79 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 4pgm h LYS 168 CO -0.23 0.47 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.79 4pgm h ASP 169 N 0.17 0.78 -0.10 4.20 3.32 -1.47 -1.27 116.42 122.05 4pgm h ASP 169 Ca 0.07 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 4pgm h ASP 169 Cb 0.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 4pgm h ASP 169 CO 0.00 0.96 0.05 0.25 -1.72 0.00 0.00 179.24 178.78 4pgm h LEU 170 N 0.69 0.13 0.00 1.55 5.85 -1.13 -0.12 115.31 122.27 4pgm h LEU 170 Ca 0.10 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.70 4pgm h LEU 170 Cb 0.69 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.68 4pgm h LEU 170 CO 0.05 0.22 0.00 0.18 -0.34 0.00 0.00 178.44 178.55 4pgm n LEU 171 N -4.95 0.00 -1.15 2.25 4.77 0.43 -2.03 117.00 116.32 4pgm n LEU 171 Ca -0.06 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 4pgm n LEU 171 Cb 0.09 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.09 4pgm n LEU 171 CO 0.34 -0.14 0.71 -1.20 -1.33 0.00 0.00 177.39 175.77 4pgm n SER 172 N -1.34 3.56 0.00 -1.43 7.64 -0.49 -4.95 113.62 116.60 4pgm n SER 172 Ca 0.07 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.98 4pgm n SER 172 Cb 0.15 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 1.41 0.51 3.64 0.23 0.00 -0.86 -5.01 105.19 105.10 4pgm n GLY 173 Ca 0.20 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.44 4.16 -0.07 1.61 3.01 -0.16 -4.97 119.74 122.87 4pgm s LYS 174 Ca 0.00 0.79 -0.30 0.00 -1.01 0.00 0.00 55.97 55.45 4pgm s LYS 174 Cb 0.00 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 33.14 4pgm s LYS 174 CO 0.00 -0.46 1.40 0.99 0.51 0.00 0.00 175.35 177.78 4pgm s THR 175 N 2.66 3.92 -0.13 2.17 2.01 -1.26 -4.13 115.64 120.88 4pgm s THR 175 Ca 0.31 1.19 -0.03 0.00 0.31 0.00 0.00 61.69 63.48 4pgm s THR 175 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 4pgm s THR 175 CO 0.08 -0.06 -0.03 0.68 -0.69 0.00 0.00 174.62 174.60 4pgm s VAL 176 N 3.12 3.97 -0.13 3.82 -7.23 -0.59 -0.28 120.40 123.08 4pgm s VAL 176 Ca 0.62 -0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 60.39 4pgm s VAL 176 Cb -0.28 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 4pgm s VAL 176 CO 0.23 0.54 0.06 -0.32 -0.31 0.00 0.00 175.10 175.30 4pgm s MET 177 N -0.11 3.45 -0.07 4.82 -2.45 -0.57 -0.74 119.30 123.62 4pgm s MET 177 Ca 0.03 -0.30 0.04 0.00 -1.25 0.00 0.00 55.69 54.20 4pgm s MET 177 Cb -0.13 -3.05 -0.00 0.00 1.25 0.00 0.00 34.83 32.90 4pgm s MET 177 CO 0.02 0.59 -0.20 0.42 1.05 0.00 0.00 175.02 176.90 4pgm s ILE 178 N -0.52 1.74 -0.37 10.11 1.01 0.44 -0.29 121.20 133.32 4pgm s ILE 178 Ca 0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 4pgm s ILE 178 Cb -0.12 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 40.94 4pgm s ILE 178 CO 0.02 0.49 0.12 0.00 0.00 0.00 0.00 174.94 175.57 4pgm s ALA 179 N 0.21 3.02 0.00 9.38 0.00 0.92 -1.43 121.76 133.86 4pgm s ALA 179 Ca -0.11 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.53 4pgm s ALA 179 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.76 4pgm s ALA 179 CO 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 175.76 174.18 4pgm n ALA 180 N 4.55 0.00 -2.34 0.00 0.00 -1.20 -2.96 120.51 118.55 4pgm n ALA 180 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 4pgm n ALA 180 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 4pgm n ALA 180 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 4pgm s HIS 181 N 1.82 1.63 0.12 0.00 3.76 -1.26 -3.47 115.29 117.89 4pgm s HIS 181 Ca 0.00 -0.75 -0.23 0.00 -0.15 0.00 0.00 55.06 53.93 4pgm s HIS 181 Cb 0.00 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.76 4pgm s HIS 181 CO 0.00 0.16 1.20 0.41 -0.85 0.00 0.00 174.74 175.66 4pgm n GLY 182 N -0.40 -2.15 0.31 -2.22 0.00 -1.26 -0.48 105.19 98.98 4pgm n GLY 182 Ca -0.07 0.92 -0.06 0.00 0.00 0.00 0.00 46.02 46.80 4pgm n GLY 182 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4pgm h ASN 183 N 0.00 1.00 -0.34 1.61 2.35 -1.97 -0.94 115.58 117.29 4pgm h ASN 183 Ca 0.12 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 4pgm h ASN 183 Cb 0.30 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 4pgm h ASN 183 CO -0.68 0.90 -0.24 0.28 -1.65 0.00 0.00 177.43 176.03 4pgm h SER 184 N 1.03 0.85 -0.10 5.81 0.02 -1.50 0.11 113.55 119.78 4pgm h SER 184 Ca 0.24 -0.32 -0.16 0.00 -0.84 0.00 0.00 61.79 60.71 4pgm h SER 184 Cb 0.21 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.53 4pgm h SER 184 CO -0.02 1.06 -0.54 -0.07 -1.14 0.00 0.00 176.83 176.11 4pgm h LEU 185 N 0.72 0.65 -0.65 5.07 3.38 -0.67 -1.97 115.31 121.84 4pgm h LEU 185 Ca 0.09 -0.65 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 4pgm h LEU 185 Cb 0.78 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 4pgm h LEU 185 CO 0.06 1.20 0.09 0.03 0.09 0.00 0.00 178.44 179.91 4pgm h ARG 186 N 0.15 1.09 -0.26 1.13 3.08 -1.14 0.19 114.38 118.63 4pgm h ARG 186 Ca -0.04 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.71 4pgm h ARG 186 Cb 1.19 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 4pgm h ARG 186 CO 0.11 1.01 0.17 0.78 -1.07 0.00 0.00 179.97 180.98 4pgm h GLY 187 N 1.01 0.36 1.25 0.04 0.00 -0.74 -0.26 103.07 104.73 4pgm h GLY 187 Ca 0.20 -0.13 -0.34 0.00 0.00 0.00 0.00 47.33 47.06 4pgm h GLY 187 CO 0.02 0.13 -1.50 -2.00 0.00 0.00 0.00 176.54 173.18 4pgm h LEU 188 N 0.34 0.81 -0.68 3.11 5.85 -0.64 -3.21 115.31 120.89 4pgm h LEU 188 Ca 0.09 -0.89 0.04 0.00 0.84 0.00 0.00 57.88 57.96 4pgm h LEU 188 Cb -0.03 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 4pgm h LEU 188 CO -0.02 1.70 0.41 0.58 -0.34 0.00 0.00 178.44 180.78 4pgm h VAL 189 N 0.14 1.05 -0.88 1.05 2.07 -0.39 -1.35 116.25 117.94 4pgm h VAL 189 Ca -0.26 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.05 4pgm h VAL 189 Cb 2.16 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 4pgm h VAL 189 CO 0.27 0.14 0.58 0.50 0.02 0.00 0.00 177.57 179.07 4pgm h LYS 190 N 0.79 0.99 -0.19 1.57 3.64 -1.15 0.34 116.57 122.55 4pgm h LYS 190 Ca 0.28 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 4pgm h LYS 190 Cb 0.08 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 4pgm h LYS 190 CO -0.13 0.65 -0.33 1.25 -2.27 0.00 0.00 179.45 178.62 4pgm h HIS 191 N 1.02 0.70 -0.40 1.91 2.76 -1.35 0.93 115.15 120.71 4pgm h HIS 191 Ca 0.37 -0.25 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 4pgm h HIS 191 Cb 0.16 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 4pgm h HIS 191 CO -0.00 0.98 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.51 4pgm h LEU 192 N 0.23 0.71 -0.33 0.26 3.38 -0.67 -3.18 115.31 115.71 4pgm h LEU 192 Ca 0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.66 4pgm h LEU 192 Cb 0.92 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.48 4pgm h LEU 192 CO 0.07 0.86 -0.55 -0.62 0.09 0.00 0.00 178.44 178.30 4pgm n GLU 193 N -4.42 0.46 -1.78 1.13 1.02 0.11 -4.39 120.64 112.77 4pgm n GLU 193 Ca -0.01 -0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 56.68 4pgm n GLU 193 Cb 0.31 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 1.44 0.61 3.72 0.62 0.00 0.31 -4.96 105.19 106.92 4pgm n GLY 194 Ca 0.08 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 4pgm n GLY 194 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4pgm n ILE 195 N -3.32 2.26 -1.49 -0.61 5.41 -0.40 -4.97 119.36 116.24 4pgm n ILE 195 Ca -0.13 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.81 4pgm n ILE 195 Cb 0.50 -1.66 0.08 0.00 -0.71 0.00 0.00 39.64 37.86 4pgm n ILE 195 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 4pgm s SER 196 N -0.37 4.64 0.38 4.38 0.01 -1.26 -4.82 113.70 116.67 4pgm s SER 196 Ca 0.57 1.47 0.05 0.00 1.31 0.00 0.00 55.95 59.35 4pgm s SER 196 Cb -0.52 -2.23 0.77 0.00 0.21 0.00 0.00 66.02 64.24 4pgm s SER 196 CO 0.61 -1.89 2.03 0.44 0.41 0.00 0.00 173.24 174.84 4pgm h ASP 197 N -1.03 0.58 0.83 2.44 5.19 -2.00 -1.10 116.42 121.32 4pgm h ASP 197 Ca -0.46 -0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 55.73 4pgm h ASP 197 Cb 1.25 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 4pgm h ASP 197 CO 0.57 0.42 -0.96 0.00 -3.12 0.00 0.00 179.24 176.15 4pgm h ALA 198 N 1.68 0.43 0.00 3.45 0.00 -2.01 -3.34 119.26 119.48 4pgm h ALA 198 Ca 0.20 -0.83 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 4pgm h ALA 198 Cb -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 4pgm h ALA 198 CO -0.04 1.09 -1.30 -0.44 0.00 0.00 0.00 179.25 178.56 4pgm h ASP 199 N 0.03 0.00 -0.59 0.00 5.19 -1.85 -3.37 116.42 115.82 4pgm h ASP 199 Ca -0.03 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.47 4pgm h ASP 199 Cb 1.66 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.13 4pgm h ASP 199 CO 0.13 0.98 0.40 -0.29 -3.12 0.00 0.00 179.24 177.34 4pgm h ILE 200 N 0.00 0.90 0.00 0.35 6.09 -1.33 0.25 117.51 123.77 4pgm h ILE 200 Ca -0.13 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 4pgm h ILE 200 Cb 1.86 0.45 0.00 0.00 0.47 0.00 0.00 36.82 39.60 4pgm h ILE 200 CO 0.10 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.26 4pgm n ALA 201 N -2.52 1.28 0.06 0.18 0.00 -1.26 -2.02 120.51 116.23 4pgm n ALA 201 Ca 0.10 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.49 4pgm n ALA 201 Cb 0.36 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 4pgm n ALA 201 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 4pgm h LYS 202 N 0.00 0.26 -7.02 0.00 6.56 -1.19 -3.48 116.57 111.70 4pgm h LYS 202 Ca 0.00 -0.44 -0.52 0.00 -1.06 0.00 0.00 60.65 58.63 4pgm h LYS 202 Cb 0.14 0.16 0.09 0.00 -0.57 0.00 0.00 32.23 32.05 4pgm h LYS 202 CO 0.00 1.12 0.53 -1.17 -2.06 0.00 0.00 179.45 177.87 4pgm s LEU 203 N -6.99 3.94 -0.16 2.94 2.96 -0.86 -5.06 118.68 115.46 4pgm s LEU 203 Ca -0.10 2.47 -0.18 0.00 -0.22 0.00 0.00 54.13 56.10 4pgm s LEU 203 Cb 0.07 -4.27 0.05 0.00 0.50 0.00 0.00 46.19 42.54 4pgm s LEU 203 CO 0.85 -1.17 0.50 0.21 -1.32 0.00 0.00 176.35 175.41 4pgm s ASN 204 N -1.23 -0.50 -0.19 3.68 3.84 -1.26 -5.06 114.94 114.22 4pgm s ASN 204 Ca 0.67 0.89 -0.04 0.00 0.21 0.00 0.00 52.86 54.59 4pgm s ASN 204 Cb -0.33 0.91 -0.02 0.00 -0.55 0.00 0.00 41.25 41.26 4pgm s ASN 204 CO 0.39 -0.24 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.79 4pgm s ILE 205 N -0.04 3.62 0.32 -5.21 1.01 -1.26 -5.09 121.20 114.54 4pgm s ILE 205 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 4pgm s ILE 205 Cb -0.03 -2.62 -0.12 0.00 0.01 0.00 0.00 42.46 39.70 4pgm s ILE 205 CO 0.02 0.45 1.44 -0.81 0.00 0.00 0.00 174.94 176.03 4pgm n PRO 206 N 4.26 2.39 -2.46 2.79 -0.04 -1.26 -4.95 135.00 135.73 4pgm n PRO 206 Ca -0.18 0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 63.71 4pgm n PRO 206 Cb 0.52 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 4pgm n PRO 206 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 4pgm s THR 207 N -0.62 4.09 0.00 0.52 -4.23 -1.26 -3.61 115.64 110.53 4pgm s THR 207 Ca 0.60 1.53 0.00 0.00 -1.18 0.00 0.00 61.69 62.64 4pgm s THR 207 Cb -0.54 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.32 4pgm s THR 207 CO 0.57 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 4pgm n GLY 208 N 3.03 0.92 3.29 3.99 0.00 0.34 -4.85 105.19 111.92 4pgm n GLY 208 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.84 3.58 0.40 -0.61 1.01 -1.24 -3.76 121.20 117.75 4pgm s ILE 209 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 4pgm s ILE 209 Cb 0.00 -2.85 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 4pgm s ILE 209 CO 0.00 0.11 1.32 -2.65 0.00 0.00 0.00 174.94 173.73 4pgm n PRO 210 N 4.79 2.12 -4.09 2.79 -0.02 -1.26 -4.65 135.00 134.68 4pgm n PRO 210 Ca -0.15 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 4pgm n PRO 210 Cb 0.47 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.68 2.30 -0.05 2.45 0.20 0.13 -2.23 118.68 119.80 4pgm s LEU 211 Ca 0.58 -0.68 -0.07 0.00 0.69 0.00 0.00 54.13 54.66 4pgm s LEU 211 Cb -0.51 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 4pgm s LEU 211 CO 0.60 -0.02 0.21 -0.69 -0.29 0.00 0.00 176.35 176.16 4pgm s VAL 212 N 1.30 5.39 -0.12 1.68 1.01 -0.23 0.17 120.40 129.60 4pgm s VAL 212 Ca 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 4pgm s VAL 212 Cb -0.14 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.77 4pgm s VAL 212 CO -0.11 0.50 -0.04 -0.36 0.00 0.00 0.00 175.10 175.09 4pgm s PHE 213 N -1.16 1.23 -0.10 5.22 0.08 0.45 -2.24 117.98 121.46 4pgm s PHE 213 Ca 0.21 -0.63 -0.20 0.00 0.12 0.00 0.00 56.93 56.43 4pgm s PHE 213 Cb -0.13 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 4pgm s PHE 213 CO 0.11 -0.48 0.56 -1.21 -0.10 0.00 0.00 175.22 174.09 4pgm s GLU 214 N 1.79 4.37 0.20 0.44 8.01 -1.26 -1.44 118.70 130.81 4pgm s GLU 214 Ca 0.04 0.61 0.10 0.00 0.01 0.00 0.00 54.97 55.73 4pgm s GLU 214 Cb -0.13 -3.44 -0.04 0.00 -4.31 0.00 0.00 34.13 26.21 4pgm s GLU 214 CO -0.07 0.14 -0.21 -0.51 0.01 0.00 0.00 175.26 174.61 4pgm s LEU 215 N 0.64 2.47 0.00 1.80 1.43 -0.08 -1.36 118.68 123.59 4pgm s LEU 215 Ca 0.30 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 4pgm s LEU 215 Cb -0.16 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.12 4pgm s LEU 215 CO 0.13 0.05 0.72 -0.90 0.23 0.00 0.00 176.35 176.58 4pgm n ASP 216 N 0.09 1.49 0.31 2.29 5.68 0.23 -3.05 116.55 123.58 4pgm n ASP 216 Ca -0.11 -2.13 0.19 0.00 -0.50 0.00 0.00 54.79 52.23 4pgm n ASP 216 Cb 0.57 -0.42 0.97 0.00 -1.14 0.00 0.00 41.12 41.11 4pgm n ASP 216 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 4pgm h GLU 217 N 0.00 0.00 -0.54 0.11 3.07 -1.99 0.54 114.58 115.78 4pgm h GLU 217 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 4pgm h GLU 217 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 4pgm h GLU 217 CO 0.31 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.01 4pgm n ASN 218 N -3.12 4.40 -2.62 1.42 3.02 -1.26 -4.96 115.26 112.14 4pgm n ASN 218 Ca -0.02 -2.49 -0.20 0.00 -0.03 0.00 0.00 54.58 51.84 4pgm n ASN 218 Cb 0.26 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 4pgm n ASN 218 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 4pgm n LEU 219 N 0.75 -2.38 -4.79 3.41 4.32 0.19 -5.02 117.00 113.49 4pgm n LEU 219 Ca 0.23 -0.18 -0.32 0.00 -0.02 0.00 0.00 56.01 55.71 4pgm n LEU 219 Cb 0.84 -2.81 -0.07 0.00 -1.62 0.00 0.00 43.42 39.76 4pgm n LEU 219 CO 0.21 0.08 -0.25 -0.54 -1.22 0.00 0.00 177.39 175.66 4pgm s LYS 220 N -5.40 3.04 0.02 3.23 1.02 -1.26 -4.75 119.74 115.64 4pgm s LYS 220 Ca 0.19 -0.52 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 4pgm s LYS 220 Cb -0.08 -2.84 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 4pgm s LYS 220 CO 0.23 0.63 1.94 -2.30 -0.92 0.00 0.00 175.35 174.94 4pgm n PRO 221 N 1.00 2.73 0.00 -1.68 -0.02 -1.26 -0.60 135.00 135.18 4pgm n PRO 221 Ca -0.12 1.00 0.14 0.00 -2.02 0.00 0.00 63.50 62.50 4pgm n PRO 221 Cb 0.52 -2.93 0.56 0.00 -0.02 0.00 0.00 33.50 31.63 4pgm n PRO 221 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 4pgm n SER 222 N 7.17 0.38 -3.55 2.55 3.41 -0.46 -4.86 113.62 118.25 4pgm n SER 222 Ca 0.20 -0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.42 4pgm n SER 222 Cb 0.38 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 4pgm n SER 222 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 4pgm s LYS 223 N -2.65 0.60 0.30 4.33 -2.85 -1.26 -5.07 119.74 113.13 4pgm s LYS 223 Ca 0.23 -0.15 -0.28 0.00 -1.00 0.00 0.00 55.97 54.77 4pgm s LYS 223 Cb 0.19 0.28 -0.14 0.00 -2.06 0.00 0.00 37.83 36.11 4pgm s LYS 223 CO 0.52 -0.25 1.12 -2.30 0.10 0.00 0.00 175.35 174.54 4pgm n PRO 224 N 0.01 1.61 -1.94 1.78 -0.02 -1.26 -4.57 135.00 130.61 4pgm n PRO 224 Ca -0.06 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 4pgm n PRO 224 Cb 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 4pgm n PRO 224 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 4pgm s SER 225 N -0.42 6.14 0.07 2.55 1.04 -1.26 -4.87 113.70 116.95 4pgm s SER 225 Ca 0.59 2.78 0.04 0.00 0.48 0.00 0.00 55.95 59.84 4pgm s SER 225 Cb -0.66 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 62.78 4pgm s SER 225 CO 0.60 -0.98 -0.12 -0.72 0.98 0.00 0.00 173.24 173.00 4pgm s TYR 226 N -1.23 1.06 0.24 5.02 1.13 -0.95 -4.98 117.35 117.64 4pgm s TYR 226 Ca 0.58 -0.49 -0.09 0.00 -1.41 0.00 0.00 57.07 55.66 4pgm s TYR 226 Cb -0.41 -0.60 -0.07 0.00 -1.10 0.00 0.00 41.96 39.78 4pgm s TYR 226 CO 0.53 0.02 0.55 0.71 -2.51 0.00 0.00 175.55 174.85 4pgm s TYR 227 N -1.44 3.43 -0.10 -3.49 1.51 -1.26 -1.07 117.35 114.94 4pgm s TYR 227 Ca -0.03 0.84 0.29 0.00 -1.01 0.00 0.00 57.07 57.16 4pgm s TYR 227 Cb -0.09 -2.24 0.95 0.00 -0.11 0.00 0.00 41.96 40.47 4pgm s TYR 227 CO 0.02 0.25 1.83 -0.07 -1.11 0.00 0.00 175.55 176.46 4pgm h LEU 228 N 2.38 0.00 -6.27 -1.29 3.38 -1.78 -3.25 115.31 108.49 4pgm h LEU 228 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 4pgm h LEU 228 Cb 1.17 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.52 4pgm h LEU 228 CO 0.69 0.02 -0.78 -0.67 0.09 0.00 0.00 178.44 177.79 4pgm n ASP 229 N -3.11 2.19 -0.29 -0.43 2.03 -1.26 -4.96 116.55 110.70 4pgm n ASP 229 Ca 0.02 -3.09 0.12 0.00 0.52 0.00 0.00 54.79 52.36 4pgm n ASP 229 Cb 0.40 -0.66 0.28 0.00 -0.72 0.00 0.00 41.12 40.42 4pgm n ASP 229 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 4pgm h PRO 230 N 4.41 0.25 0.29 -0.67 0.11 -1.97 -2.06 132.00 132.36 4pgm h PRO 230 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 4pgm h PRO 230 Cb 0.76 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 4pgm h PRO 230 CO 0.66 0.16 -0.21 0.93 -0.21 0.00 0.00 178.00 179.34 4pgm h GLU 231 N 0.26 -0.48 -0.66 1.05 3.07 -1.93 0.48 114.58 116.37 4pgm h GLU 231 Ca 0.53 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.43 4pgm h GLU 231 Cb 1.05 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 4pgm h GLU 231 CO -0.61 -0.32 0.44 0.00 -1.40 0.00 0.00 179.01 177.12 4pgm h ALA 232 N 0.18 1.53 -0.22 3.43 0.00 -1.82 -2.00 119.26 120.36 4pgm h ALA 232 Ca -0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 4pgm h ALA 232 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 4pgm h ALA 232 CO 0.00 0.43 -0.49 0.00 0.00 0.00 0.00 179.25 179.20 4pgm h ALA 233 N 1.59 0.75 0.00 0.00 0.00 -1.07 -3.11 119.26 117.42 4pgm h ALA 233 Ca 0.24 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 4pgm h ALA 233 Cb -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 4pgm h ALA 233 CO -0.05 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 4pgm h ALA 234 N 1.01 1.24 0.00 0.00 0.00 -0.17 -3.47 119.26 117.86 4pgm h ALA 234 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 4pgm h ALA 234 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 4pgm h ALA 234 CO 0.09 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.49