#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwg s ARG 3 N 0.00 4.13 -0.20 0.54 0.52 -1.26 -5.08 118.95 117.61 2bwg s ARG 3 Ca 0.00 0.69 -0.08 0.00 -0.52 0.00 0.00 55.73 55.82 2bwg s ARG 3 Cb 0.00 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2bwg s ARG 3 CO 0.00 0.47 0.08 0.42 0.02 0.00 0.00 175.30 176.29 2bwg s ILE 4 N -1.43 4.83 -0.01 1.52 1.01 -1.26 -5.07 121.20 120.79 2bwg s ILE 4 Ca 0.38 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2bwg s ILE 4 Cb -0.16 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.05 2bwg s ILE 4 CO 0.20 0.44 1.56 -0.62 0.00 0.00 0.00 174.94 176.52 2bwg s ASP 5 N 0.56 6.72 0.24 3.58 -1.08 -1.26 -4.92 116.67 120.51 2bwg s ASP 5 Ca 0.04 2.24 -0.05 0.00 -0.52 0.00 0.00 52.55 54.26 2bwg s ASP 5 Cb -0.13 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.04 2bwg s ASP 5 CO 0.01 -0.85 1.78 0.00 0.52 0.00 0.00 175.17 176.63 2bwg h ALA 6 N 8.69 1.10 -2.45 3.66 0.00 -2.07 -3.42 119.26 124.76 2bwg h ALA 6 Ca -0.39 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 2bwg h ALA 6 Cb 1.18 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2bwg h ALA 6 CO 0.93 0.61 1.04 0.34 0.00 0.00 0.00 179.25 182.18 2bwg s ASP 7 N -6.49 6.55 0.13 0.00 2.15 -1.26 -4.99 116.67 112.77 2bwg s ASP 7 Ca -0.11 2.55 -0.30 0.00 0.43 0.00 0.00 52.55 55.12 2bwg s ASP 7 Cb 0.15 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 2bwg s ASP 7 CO 0.82 -0.92 1.13 -0.22 -0.17 0.00 0.00 175.17 175.81 2bwg s LEU 8 N 2.79 4.44 -0.19 -1.34 2.96 -1.26 -5.03 118.68 121.04 2bwg s LEU 8 Ca 0.76 2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 56.65 2bwg s LEU 8 Cb -0.41 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 2bwg s LEU 8 CO 0.34 -0.31 0.07 -0.54 -1.32 0.00 0.00 176.35 174.59 2bwg s LYS 9 N 0.14 3.96 0.08 1.98 -0.14 -1.26 -5.09 119.74 119.42 2bwg s LYS 9 Ca 0.53 -0.34 -0.01 0.00 -1.36 0.00 0.00 55.97 54.78 2bwg s LYS 9 Cb -0.29 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 2bwg s LYS 9 CO 0.33 0.22 0.25 -0.51 -0.76 0.00 0.00 175.35 174.88 2bwg s LEU 10 N 0.53 4.34 0.00 3.17 1.43 -1.26 -4.82 118.68 122.06 2bwg s LEU 10 Ca 0.04 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2bwg s LEU 10 Cb -0.13 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.07 2bwg s LEU 10 CO 0.01 0.13 0.13 -0.67 0.23 0.00 0.00 176.35 176.18 2bwg n ASP 11 N 0.20 1.25 0.05 2.29 -0.08 -1.26 -2.17 116.55 116.82 2bwg n ASP 11 Ca -0.04 -1.47 -0.02 0.00 -1.51 0.00 0.00 54.79 51.75 2bwg n ASP 11 Cb 0.51 -0.03 0.25 0.00 2.34 0.00 0.00 41.12 44.19 2bwg n ASP 11 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bwg h PHE 12 N 0.42 0.42 0.00 -0.67 0.04 -1.95 -2.39 116.94 112.81 2bwg h PHE 12 Ca -0.09 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.60 2bwg h PHE 12 Cb 0.33 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2bwg h PHE 12 CO 0.00 0.59 0.00 1.57 -0.60 0.00 0.00 178.31 179.87 2bwg h LYS 13 N 0.34 0.00 0.00 1.51 -0.00 -1.99 -2.78 116.57 113.65 2bwg h LYS 13 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.70 2bwg h LYS 13 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.84 2bwg h LYS 13 CO 0.04 0.00 -0.06 -0.25 -0.00 0.00 0.00 179.45 179.18 2bwg n ASP 14 N -2.74 0.42 -4.35 7.07 8.00 -0.90 -4.87 116.55 119.19 2bwg n ASP 14 Ca 0.02 0.48 -0.18 0.00 0.71 0.00 0.00 54.79 55.81 2bwg n ASP 14 Cb 0.31 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.75 2bwg n ASP 14 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2bwg s VAL 15 N -3.05 1.32 0.11 2.53 -7.23 -1.05 -0.88 120.40 112.15 2bwg s VAL 15 Ca 0.12 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2bwg s VAL 15 Cb 0.16 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2bwg s VAL 15 CO 0.58 -0.43 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.09 2bwg s LEU 16 N -3.32 2.45 -0.01 1.32 1.43 -0.51 -4.89 118.68 115.15 2bwg s LEU 16 Ca 0.26 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2bwg s LEU 16 Cb 0.04 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 2bwg s LEU 16 CO 0.08 -0.32 0.64 -0.76 0.23 0.00 0.00 176.35 176.22 2bwg s LEU 17 N -2.72 4.40 0.13 1.79 1.43 -1.26 -0.56 118.68 121.89 2bwg s LEU 17 Ca 0.09 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.10 2bwg s LEU 17 Cb 0.00 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 2bwg s LEU 17 CO -0.01 0.04 1.01 -0.60 0.23 0.00 0.00 176.35 177.02 2bwg s ARG 18 N 0.04 4.66 0.52 1.70 3.52 -0.51 -4.94 118.95 123.94 2bwg s ARG 18 Ca 0.33 1.54 -0.18 0.00 -0.13 0.00 0.00 55.73 57.30 2bwg s ARG 18 Cb -0.18 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.79 2bwg s ARG 18 CO 0.18 0.17 1.02 -1.25 -0.81 0.00 0.00 175.30 174.61 2bwg s PRO 19 N -0.13 3.73 0.07 5.12 0.04 -1.26 -4.64 135.00 137.93 2bwg s PRO 19 Ca 0.48 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.71 2bwg s PRO 19 Cb -0.25 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2bwg s PRO 19 CO 0.31 -0.46 -0.06 0.15 0.04 0.00 0.00 177.00 176.98 2bwg s LYS 20 N -3.71 0.67 0.31 4.56 1.02 0.98 -4.94 119.74 118.63 2bwg s LYS 20 Ca 0.63 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 2bwg s LYS 20 Cb -0.14 -0.10 -0.11 0.00 -0.52 0.00 0.00 37.83 36.96 2bwg s LYS 20 CO 0.27 -0.03 1.47 1.03 -0.92 0.00 0.00 175.35 177.18 2bwg s ARG 21 N -3.12 4.20 0.35 1.68 0.52 -1.26 -4.29 118.95 117.02 2bwg s ARG 21 Ca 0.03 2.44 -0.13 0.00 -0.52 0.00 0.00 55.73 57.55 2bwg s ARG 21 Cb 0.01 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.49 2bwg s ARG 21 CO -0.04 -0.47 0.71 -1.13 0.02 0.00 0.00 175.30 174.38 2bwg n SER 22 N 1.51 -2.04 -1.16 0.23 3.41 -1.26 -4.72 113.62 109.58 2bwg n SER 22 Ca 0.04 -2.41 0.09 0.00 -0.26 0.00 0.00 58.87 56.33 2bwg n SER 22 Cb 0.39 3.40 0.28 0.00 -0.26 0.00 0.00 64.21 68.02 2bwg n SER 22 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2bwg n SER 23 N -1.47 3.95 -4.52 4.04 7.64 -1.26 -4.93 113.62 117.06 2bwg n SER 23 Ca -0.08 -2.32 -0.42 0.00 1.01 0.00 0.00 58.87 57.06 2bwg n SER 23 Cb 0.53 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 2bwg n SER 23 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bwg s LEU 24 N -1.59 4.56 -0.11 -3.43 1.43 -1.26 -4.94 118.68 113.34 2bwg s LEU 24 Ca 0.41 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2bwg s LEU 24 Cb 0.26 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2bwg s LEU 24 CO 0.21 -0.56 0.05 0.07 0.23 0.00 0.00 176.35 176.35 2bwg h LYS 25 N 8.64 0.00 -6.31 1.70 5.09 -1.93 -3.47 116.57 120.29 2bwg h LYS 25 Ca -0.27 0.00 -0.64 0.00 0.09 0.00 0.00 60.65 59.83 2bwg h LYS 25 Cb 1.12 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.33 2bwg h LYS 25 CO 0.80 0.11 -0.65 0.45 -2.09 0.00 0.00 179.45 178.07 2bwg s SER 26 N -5.66 5.12 0.45 7.07 0.15 -1.26 -5.03 113.70 114.54 2bwg s SER 26 Ca -0.04 -0.16 0.24 0.00 0.70 0.00 0.00 55.95 56.69 2bwg s SER 26 Cb 0.00 -1.25 1.00 0.00 -1.71 0.00 0.00 66.02 64.06 2bwg s SER 26 CO 0.11 0.17 1.87 0.08 1.20 0.00 0.00 173.24 176.66 2bwg h ARG 27 N 3.33 0.00 0.00 5.44 0.11 -1.93 -2.94 114.38 118.38 2bwg h ARG 27 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 2bwg h ARG 27 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2bwg h ARG 27 CO 0.61 0.23 -0.20 0.00 0.10 0.00 0.00 179.97 180.70 2bwg h ALA 28 N 1.77 1.34 -0.52 0.08 0.00 -1.95 -2.23 119.26 117.73 2bwg h ALA 28 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2bwg h ALA 28 Cb 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2bwg h ALA 28 CO 0.03 0.26 0.38 0.93 0.00 0.00 0.00 179.25 180.85 2bwg h GLU 29 N 0.00 0.00 -6.41 0.00 5.08 -1.93 -3.44 114.58 107.88 2bwg h GLU 29 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2bwg h GLU 29 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2bwg h GLU 29 CO 0.03 0.00 0.42 0.08 -1.00 0.00 0.00 179.01 178.53 2bwg s VAL 30 N -5.01 4.72 -0.36 3.13 1.01 -0.84 -4.96 120.40 118.10 2bwg s VAL 30 Ca -0.05 1.96 -0.18 0.00 0.00 0.00 0.00 61.98 63.71 2bwg s VAL 30 Cb 0.20 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 2bwg s VAL 30 CO 0.73 0.14 0.49 -0.62 0.00 0.00 0.00 175.10 175.84 2bwg s ASP 31 N 1.03 6.28 0.24 3.32 -1.08 -0.43 -4.94 116.67 121.09 2bwg s ASP 31 Ca 0.53 -0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.66 2bwg s ASP 31 Cb -0.22 -2.26 0.12 0.00 -1.46 0.00 0.00 42.92 39.10 2bwg s ASP 31 CO 0.28 -0.48 1.19 -0.07 0.52 0.00 0.00 175.17 176.61 2bwg h LEU 32 N 9.06 0.00 -9.85 -1.34 3.38 -1.95 -1.02 115.31 113.59 2bwg h LEU 32 Ca -0.28 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.11 2bwg h LEU 32 Cb 1.13 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.99 2bwg h LEU 32 CO 0.77 0.01 0.59 -0.62 0.09 0.00 0.00 178.44 179.28 2bwg n GLU 33 N -2.68 2.23 -4.30 1.13 4.71 -1.26 -4.47 120.64 115.99 2bwg n GLU 33 Ca 0.01 0.78 -0.18 0.00 -0.01 0.00 0.00 57.16 57.76 2bwg n GLU 33 Cb 0.53 -2.46 -0.13 0.00 -1.01 0.00 0.00 31.44 28.36 2bwg n GLU 33 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2bwg s ARG 34 N -2.09 0.78 -0.21 3.49 6.06 0.10 -4.65 118.95 122.43 2bwg s ARG 34 Ca 0.57 -0.59 -0.02 0.00 -2.50 0.00 0.00 55.73 53.19 2bwg s ARG 34 Cb -0.51 -0.73 0.00 0.00 0.06 0.00 0.00 34.95 33.76 2bwg s ARG 34 CO 0.61 0.18 -0.09 0.99 -2.50 0.00 0.00 175.30 174.49 2bwg s THR 35 N -0.69 2.96 -0.04 4.11 2.01 -1.26 -1.71 115.64 121.02 2bwg s THR 35 Ca 0.00 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2bwg s THR 35 Cb -0.06 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2bwg s THR 35 CO 0.01 0.46 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.82 2bwg s PHE 36 N 1.41 2.50 -0.28 4.92 0.08 0.08 -4.97 117.98 121.72 2bwg s PHE 36 Ca 0.05 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 2bwg s PHE 36 Cb -0.14 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2bwg s PHE 36 CO -0.06 -0.02 0.01 0.99 -0.10 0.00 0.00 175.22 176.04 2bwg s THR 37 N -0.50 3.33 0.46 0.64 2.01 -1.26 0.06 115.64 120.39 2bwg s THR 37 Ca 0.06 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 2bwg s THR 37 Cb -0.11 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.55 2bwg s THR 37 CO 0.01 0.08 1.00 -0.36 -0.69 0.00 0.00 174.62 174.66 2bwg s PHE 38 N 1.38 3.15 0.02 4.92 0.08 0.01 -4.95 117.98 122.58 2bwg s PHE 38 Ca -0.00 1.59 -0.20 0.00 0.12 0.00 0.00 56.93 58.43 2bwg s PHE 38 Cb -0.18 -2.96 -0.19 0.00 -0.57 0.00 0.00 43.02 39.13 2bwg s PHE 38 CO -0.01 -0.50 1.20 -0.09 -0.10 0.00 0.00 175.22 175.73 2bwg h ARG 39 N 1.67 0.38 0.02 0.44 2.43 -1.86 -2.38 114.38 115.09 2bwg h ARG 39 Ca -0.49 -0.30 -0.39 0.00 -0.81 0.00 0.00 59.98 57.98 2bwg h ARG 39 Cb 1.20 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 2bwg h ARG 39 CO 0.60 0.94 -2.28 0.09 -1.51 0.00 0.00 179.97 177.81 2bwg n ASN 40 N -4.39 1.99 0.19 -3.80 3.02 -1.26 -4.26 115.26 106.75 2bwg n ASN 40 Ca -0.08 0.12 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 2bwg n ASN 40 Cb 0.52 -0.67 0.37 0.00 -0.61 0.00 0.00 39.78 39.38 2bwg n ASN 40 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2bwg h SER 41 N -0.39 0.00 -0.12 6.41 4.64 -1.79 -3.47 113.55 118.83 2bwg h SER 41 Ca -0.56 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.70 2bwg h SER 41 Cb 1.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.85 2bwg h SER 41 CO -0.17 0.36 -0.05 0.29 -0.87 0.00 0.00 176.83 176.39 2bwg n LYS 42 N -3.58 -1.47 -1.74 4.77 4.76 -0.90 -4.66 118.16 115.35 2bwg n LYS 42 Ca -0.00 0.49 -0.30 0.00 -2.87 0.00 0.00 58.31 55.63 2bwg n LYS 42 Cb 0.48 -4.65 0.06 0.00 -1.84 0.00 0.00 35.03 29.08 2bwg n LYS 42 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2bwg s GLN 43 N -1.82 2.65 -0.04 1.97 -1.52 -1.26 -4.70 119.66 114.94 2bwg s GLN 43 Ca 0.00 0.59 0.07 0.00 -1.95 0.00 0.00 55.36 54.07 2bwg s GLN 43 Cb 0.00 -1.99 -0.02 0.00 -0.22 0.00 0.00 33.01 30.79 2bwg s GLN 43 CO 0.00 -1.21 -0.25 0.99 -0.25 0.00 0.00 175.29 174.57 2bwg s THR 44 N -3.24 2.11 0.04 -0.19 2.01 -1.26 -0.81 115.64 114.29 2bwg s THR 44 Ca 0.59 -1.07 0.09 0.00 0.31 0.00 0.00 61.69 61.60 2bwg s THR 44 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2bwg s THR 44 CO 0.53 0.58 -0.26 -0.47 -0.69 0.00 0.00 174.62 174.31 2bwg s TYR 45 N -0.46 2.27 -0.04 4.92 5.04 0.11 -4.98 117.35 124.21 2bwg s TYR 45 Ca 0.05 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.28 2bwg s TYR 45 Cb -0.11 -1.37 0.02 0.00 0.35 0.00 0.00 41.96 40.85 2bwg s TYR 45 CO 0.01 0.10 -0.04 -1.12 -1.34 0.00 0.00 175.55 173.16 2bwg s SER 46 N -1.14 0.80 0.00 4.32 0.01 -1.26 -0.74 113.70 115.70 2bwg s SER 46 Ca 0.11 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2bwg s SER 46 Cb -0.10 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2bwg s SER 46 CO 0.02 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2bwg n GLY 47 N 3.99 -1.78 3.58 3.44 0.00 -0.69 -4.96 105.19 108.77 2bwg n GLY 47 Ca -0.25 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2bwg n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bwg s ILE 48 N -2.33 4.48 -0.10 -0.61 1.01 0.47 0.01 121.20 124.13 2bwg s ILE 48 Ca 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 2bwg s ILE 48 Cb 0.00 -4.42 -0.15 0.00 0.01 0.00 0.00 42.46 37.90 2bwg s ILE 48 CO 0.00 -0.75 2.37 -0.81 0.00 0.00 0.00 174.94 175.75 2bwg n PRO 49 N 7.10 1.32 -4.86 2.79 -0.04 -1.26 -4.18 135.00 135.87 2bwg n PRO 49 Ca 0.07 -0.70 -0.33 0.00 -0.04 0.00 0.00 63.50 62.50 2bwg n PRO 49 Cb 0.48 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 31.92 2bwg n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2bwg s ILE 50 N 1.95 2.79 -0.09 0.52 1.01 -1.26 -1.59 121.20 124.53 2bwg s ILE 50 Ca 0.41 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.34 2bwg s ILE 50 Cb 0.18 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2bwg s ILE 50 CO -0.00 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 2bwg s ILE 51 N 0.38 2.32 0.01 2.92 1.01 0.83 -1.78 121.20 126.89 2bwg s ILE 51 Ca -0.12 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2bwg s ILE 51 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2bwg s ILE 51 CO 0.06 0.56 1.11 -0.69 0.00 0.00 0.00 174.94 175.98 2bwg s VAL 52 N 0.17 4.39 0.58 2.92 1.01 -0.50 -0.30 120.40 128.67 2bwg s VAL 52 Ca -0.12 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.39 2bwg s VAL 52 Cb -0.16 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2bwg s VAL 52 CO 0.07 0.10 1.20 0.00 0.00 0.00 0.00 175.10 176.46 2bwg s ALA 53 N 1.30 2.57 -0.50 5.51 0.00 0.08 -1.39 121.76 129.34 2bwg s ALA 53 Ca 0.55 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 53.43 2bwg s ALA 53 Cb -0.25 -3.44 -0.21 0.00 0.00 0.00 0.00 23.12 19.22 2bwg s ALA 53 CO 0.27 -1.10 3.38 0.27 0.00 0.00 0.00 175.76 178.58 2bwg n ASN 54 N -1.53 6.25 -4.97 0.00 6.94 -1.19 -3.05 115.26 117.71 2bwg n ASN 54 Ca 0.13 -2.50 -0.21 0.00 -0.02 0.00 0.00 54.58 51.98 2bwg n ASN 54 Cb 0.50 -1.44 -0.02 0.00 -2.36 0.00 0.00 39.78 36.45 2bwg n ASN 54 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2bwg s MET 55 N 1.40 3.44 0.30 -3.83 -1.94 -1.26 -4.33 119.30 113.08 2bwg s MET 55 Ca 0.67 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2bwg s MET 55 Cb 0.27 -2.88 0.54 0.00 2.01 0.00 0.00 34.83 34.77 2bwg s MET 55 CO -0.02 0.42 1.91 -0.44 -0.01 0.00 0.00 175.02 176.89 2bwg h ASP 56 N 1.21 0.89 0.32 3.03 3.32 -1.90 0.45 116.42 123.75 2bwg h ASP 56 Ca -0.52 0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.22 2bwg h ASP 56 Cb 1.23 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2bwg h ASP 56 CO 0.61 0.57 -1.90 0.35 -1.72 0.00 0.00 179.24 177.15 2bwg n THR 57 N -4.49 1.61 -0.09 0.35 -2.24 -1.26 -4.51 114.28 103.64 2bwg n THR 57 Ca 0.14 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 2bwg n THR 57 Cb 0.21 -1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 67.19 2bwg n THR 57 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2bwg n VAL 58 N -3.09 1.27 -1.75 2.28 0.24 -1.15 -0.74 118.33 115.39 2bwg n VAL 58 Ca -0.23 -0.79 -0.38 0.00 -2.04 0.00 0.00 64.34 60.90 2bwg n VAL 58 Cb 1.07 -0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 2bwg n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bwg n GLY 59 N 1.85 4.83 3.78 7.63 0.00 0.14 -4.75 105.19 118.66 2bwg n GLY 59 Ca -0.30 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.62 2bwg n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bwg s THR 60 N -0.39 3.66 0.30 2.61 -4.23 -1.26 -1.43 115.64 114.89 2bwg s THR 60 Ca 0.59 -1.55 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 2bwg s THR 60 Cb 0.21 -3.14 0.10 0.00 1.34 0.00 0.00 72.50 71.01 2bwg s THR 60 CO -0.10 -0.26 1.78 -0.26 -0.54 0.00 0.00 174.62 175.25 2bwg h PHE 61 N 1.50 0.55 -0.55 3.99 0.04 -1.93 -1.15 116.94 119.38 2bwg h PHE 61 Ca -0.45 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 60.11 2bwg h PHE 61 Cb 1.25 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 2bwg h PHE 61 CO 0.59 0.63 -0.09 0.93 -0.60 0.00 0.00 178.31 179.77 2bwg h GLU 62 N 0.46 1.04 -0.50 1.51 3.07 -1.96 -1.75 114.58 116.45 2bwg h GLU 62 Ca 0.08 -0.37 -0.05 0.00 -0.50 0.00 0.00 59.36 58.52 2bwg h GLU 62 Cb 0.53 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2bwg h GLU 62 CO 0.03 1.07 0.13 1.98 -1.40 0.00 0.00 179.01 180.82 2bwg h MET 63 N 0.92 0.79 -0.38 2.33 4.05 -1.65 -3.11 114.93 117.87 2bwg h MET 63 Ca 0.15 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2bwg h MET 63 Cb 0.66 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 2bwg h MET 63 CO 0.05 0.76 0.11 0.00 0.23 0.00 0.00 176.91 178.05 2bwg h ALA 64 N 1.00 1.48 -0.51 0.39 0.00 -0.88 -0.67 119.26 120.07 2bwg h ALA 64 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2bwg h ALA 64 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bwg h ALA 64 CO -0.00 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.78 2bwg h ALA 65 N 1.58 1.29 0.12 0.00 0.00 -1.26 -0.60 119.26 120.38 2bwg h ALA 65 Ca 0.13 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2bwg h ALA 65 Cb 0.18 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bwg h ALA 65 CO -0.01 0.50 -0.78 0.28 0.00 0.00 0.00 179.25 179.24 2bwg h VAL 66 N 0.74 1.50 -0.58 0.00 2.07 -1.42 -3.29 116.25 115.27 2bwg h VAL 66 Ca 0.17 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.27 2bwg h VAL 66 Cb 0.25 3.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2bwg h VAL 66 CO -0.01 0.70 0.33 0.24 0.02 0.00 0.00 177.57 178.85 2bwg h MET 67 N -0.31 0.61 -0.22 1.57 2.86 -0.97 -2.53 114.93 115.93 2bwg h MET 67 Ca -0.13 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2bwg h MET 67 Cb 1.59 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 2bwg h MET 67 CO 0.15 0.40 -0.02 1.03 1.06 0.00 0.00 176.91 179.53 2bwg h SER 68 N 0.63 0.31 -0.35 1.22 0.87 -1.10 -0.43 113.55 114.70 2bwg h SER 68 Ca 0.24 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 2bwg h SER 68 Cb 0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2bwg h SER 68 CO -0.14 0.38 0.24 1.56 -0.53 0.00 0.00 176.83 178.35 2bwg h GLN 69 N 0.33 0.20 -0.64 2.24 4.20 -1.52 -1.08 115.11 118.84 2bwg h GLN 69 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2bwg h GLN 69 Cb 0.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2bwg h GLN 69 CO 0.01 0.14 0.00 0.72 -0.67 0.00 0.00 178.83 179.02 2bwg n HIS 70 N -4.48 1.37 -2.20 2.96 8.25 -0.33 -4.92 115.22 115.87 2bwg n HIS 70 Ca 0.04 -0.51 -0.19 0.00 -0.26 0.00 0.00 57.72 56.80 2bwg n HIS 70 Cb 0.27 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2bwg n HIS 70 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2bwg n SER 71 N 0.73 -5.38 -4.87 0.41 7.64 -0.41 -4.65 113.62 107.10 2bwg n SER 71 Ca 0.21 0.14 -0.21 0.00 1.01 0.00 0.00 58.87 60.02 2bwg n SER 71 Cb 0.84 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 59.44 2bwg n SER 71 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2bwg s MET 72 N -4.69 2.98 0.02 1.43 -1.94 -0.32 -0.40 119.30 116.38 2bwg s MET 72 Ca 0.00 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 52.93 2bwg s MET 72 Cb 0.00 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 2bwg s MET 72 CO 0.00 0.30 0.05 0.12 -0.01 0.00 0.00 175.02 175.49 2bwg s PHE 73 N -2.15 3.18 -0.10 -0.03 5.36 -0.74 -3.31 117.98 120.20 2bwg s PHE 73 Ca 0.36 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.47 2bwg s PHE 73 Cb -0.08 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 2bwg s PHE 73 CO 0.26 0.51 -0.13 0.99 -1.46 0.00 0.00 175.22 175.40 2bwg s THR 74 N -1.22 1.30 -0.36 0.12 2.01 0.08 -1.41 115.64 116.17 2bwg s THR 74 Ca 0.24 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 2bwg s THR 74 Cb -0.12 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.18 2bwg s THR 74 CO 0.15 0.40 0.58 0.00 -0.69 0.00 0.00 174.62 175.07 2bwg s ALA 75 N 1.06 3.46 0.04 7.40 0.00 -0.49 -1.40 121.76 131.84 2bwg s ALA 75 Ca -0.06 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 2bwg s ALA 75 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2bwg s ALA 75 CO -0.02 -1.32 0.87 0.42 0.00 0.00 0.00 175.76 175.72 2bwg s ILE 76 N 2.58 4.72 0.74 0.00 -1.09 -0.14 -3.18 121.20 124.83 2bwg s ILE 76 Ca 0.22 1.85 -0.15 0.00 -2.23 0.00 0.00 60.65 60.34 2bwg s ILE 76 Cb -0.15 -4.22 0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2bwg s ILE 76 CO 0.14 0.29 1.24 -1.38 -1.23 0.00 0.00 174.94 174.00 2bwg s HIS 77 N 0.29 1.94 -2.02 3.97 -3.43 -0.52 -3.46 115.29 112.06 2bwg s HIS 77 Ca 0.44 1.59 0.11 0.00 -0.80 0.00 0.00 55.06 56.41 2bwg s HIS 77 Cb -0.21 -3.56 0.62 0.00 -1.43 0.00 0.00 32.58 28.00 2bwg s HIS 77 CO 0.26 -2.84 1.41 0.36 -2.00 0.00 0.00 174.74 171.92 2bwg n LYS 78 N -2.69 1.12 -0.05 -0.38 2.85 -1.26 -3.81 118.16 113.93 2bwg n LYS 78 Ca 0.14 -0.18 0.10 0.00 -1.05 0.00 0.00 58.31 57.32 2bwg n LYS 78 Cb 0.50 -1.19 0.12 0.00 -0.65 0.00 0.00 35.03 33.80 2bwg n LYS 78 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2bwg n HIS 79 N -0.50 0.13 -2.31 5.58 8.25 -1.26 -4.90 115.22 120.21 2bwg n HIS 79 Ca 0.09 -0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 2bwg n HIS 79 Cb 0.08 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 2bwg n HIS 79 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2bwg s TYR 80 N -1.58 3.22 0.78 4.41 2.02 -1.25 -5.04 117.35 119.91 2bwg s TYR 80 Ca 0.27 1.57 -0.12 0.00 -0.37 0.00 0.00 57.07 58.42 2bwg s TYR 80 Cb 0.18 -3.42 0.06 0.00 -0.40 0.00 0.00 41.96 38.37 2bwg s TYR 80 CO 0.26 -1.20 1.10 -1.54 -1.57 0.00 0.00 175.55 172.60 2bwg s SER 81 N -0.91 4.72 0.18 2.29 1.04 -1.26 -4.92 113.70 114.85 2bwg s SER 81 Ca 0.51 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.02 2bwg s SER 81 Cb -0.33 -1.94 0.18 0.00 0.10 0.00 0.00 66.02 64.03 2bwg s SER 81 CO 0.43 -1.81 1.72 0.25 0.98 0.00 0.00 173.24 174.80 2bwg h LEU 82 N -0.98 0.02 -0.87 2.42 5.85 -1.96 -2.22 115.31 117.57 2bwg h LEU 82 Ca -0.47 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2bwg h LEU 82 Cb 1.27 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 2bwg h LEU 82 CO 0.61 0.04 0.55 0.44 -0.34 0.00 0.00 178.44 179.74 2bwg h ASP 83 N 0.25 0.89 -0.78 1.25 3.32 -1.99 -0.52 116.42 118.84 2bwg h ASP 83 Ca 0.24 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2bwg h ASP 83 Cb 0.31 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2bwg h ASP 83 CO -0.31 0.59 0.51 0.44 -1.72 0.00 0.00 179.24 178.75 2bwg h ASP 84 N 1.04 0.90 -0.25 6.45 3.32 -1.82 -0.49 116.42 125.57 2bwg h ASP 84 Ca 0.36 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2bwg h ASP 84 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2bwg h ASP 84 CO -0.14 0.66 0.02 -0.50 -1.72 0.00 0.00 179.24 177.56 2bwg h TRP 85 N 1.06 0.46 -0.71 4.55 4.06 -0.88 -1.41 115.95 123.07 2bwg h TRP 85 Ca 0.28 -0.07 0.11 0.00 2.06 0.00 0.00 58.89 61.28 2bwg h TRP 85 Cb -0.10 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 27.85 2bwg h TRP 85 CO -0.02 0.57 0.31 0.87 -3.56 0.00 0.00 178.44 176.61 2bwg h LYS 86 N 0.22 0.49 -0.58 0.49 1.57 -0.75 0.10 116.57 118.11 2bwg h LYS 86 Ca 0.07 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2bwg h LYS 86 Cb 0.37 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2bwg h LYS 86 CO 0.01 0.33 -0.01 1.25 -0.57 0.00 0.00 179.45 180.45 2bwg h LEU 87 N 0.51 1.00 -0.71 2.94 5.85 -0.97 -0.94 115.31 122.98 2bwg h LEU 87 Ca 0.37 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 2bwg h LEU 87 Cb 0.48 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2bwg h LEU 87 CO -0.33 1.05 -0.30 0.15 -0.34 0.00 0.00 178.44 178.67 2bwg h PHE 88 N 0.93 0.76 -0.54 1.25 3.57 -0.17 -0.92 116.94 121.81 2bwg h PHE 88 Ca 0.17 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2bwg h PHE 88 Cb 0.55 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2bwg h PHE 88 CO 0.04 0.88 0.05 0.00 -2.23 0.00 0.00 178.31 177.05 2bwg h ALA 89 N 1.10 0.73 -0.21 2.41 0.00 -0.59 0.55 119.26 123.24 2bwg h ALA 89 Ca 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2bwg h ALA 89 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bwg h ALA 89 CO 0.07 0.51 0.13 1.15 0.00 0.00 0.00 179.25 181.10 2bwg h THR 90 N 0.81 1.03 0.00 0.00 2.02 -0.97 -3.09 112.91 112.72 2bwg h THR 90 Ca 0.16 -0.09 -0.26 0.00 0.77 0.00 0.00 66.41 66.99 2bwg h THR 90 Cb 0.47 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2bwg h THR 90 CO 0.02 0.05 -1.61 0.78 0.37 0.00 0.00 175.52 175.12 2bwg h ASN 91 N 0.26 0.00 -1.97 4.18 4.21 -1.05 -3.40 115.58 117.80 2bwg h ASN 91 Ca 0.08 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.08 2bwg h ASN 91 Cb -0.01 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 36.78 2bwg h ASN 91 CO -0.03 0.90 -1.01 1.41 -1.29 0.00 0.00 177.43 177.41 2bwg n HIS 92 N -3.02 1.60 -0.02 1.19 8.25 0.19 -4.92 115.22 118.50 2bwg n HIS 92 Ca -0.15 -3.75 0.07 0.00 -0.26 0.00 0.00 57.72 53.63 2bwg n HIS 92 Cb 1.00 -0.42 0.46 0.00 1.12 0.00 0.00 29.99 32.14 2bwg n HIS 92 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2bwg h PRO 93 N 2.97 0.47 0.00 -0.41 0.13 -1.68 -1.71 132.00 131.77 2bwg h PRO 93 Ca 0.10 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2bwg h PRO 93 Cb 0.84 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2bwg h PRO 93 CO 0.61 0.31 -0.00 1.05 -0.23 0.00 0.00 178.00 179.74 2bwg h GLU 94 N 0.49 0.00 0.00 0.86 9.09 -1.91 -2.78 114.58 120.33 2bwg h GLU 94 Ca 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.58 2bwg h GLU 94 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2bwg h GLU 94 CO -0.05 0.00 -0.63 0.00 0.05 0.00 0.00 179.01 178.39 2bwg h LEU 96 N 0.00 0.00 -0.72 0.00 3.38 -1.59 0.36 115.31 116.75 2bwg h LEU 96 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bwg h LEU 96 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2bwg h LEU 96 CO 0.00 0.15 0.00 0.06 0.09 0.00 0.00 178.44 178.74 2bwg h GLN 97 N 0.00 0.00 -0.26 1.13 3.07 -1.78 -3.19 115.11 114.08 2bwg h GLN 97 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2bwg h GLN 97 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.84 2bwg h GLN 97 CO 0.02 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.03 2bwg n ASN 98 N -2.49 3.80 -4.29 0.06 3.02 0.13 -4.93 115.26 110.55 2bwg n ASN 98 Ca 0.02 -3.05 -0.20 0.00 -0.03 0.00 0.00 54.58 51.33 2bwg n ASN 98 Cb 0.30 -0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 2bwg n ASN 98 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2bwg s VAL 99 N -2.85 1.57 0.02 2.41 -7.23 -1.16 -0.74 120.40 112.41 2bwg s VAL 99 Ca 0.42 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.83 2bwg s VAL 99 Cb 0.34 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2bwg s VAL 99 CO 0.08 -0.39 -0.23 0.00 -0.31 0.00 0.00 175.10 174.25 2bwg s ALA 100 N -2.18 1.98 0.06 1.32 0.00 -0.49 -4.27 121.76 118.17 2bwg s ALA 100 Ca 0.13 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 2bwg s ALA 100 Cb -0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 2bwg s ALA 100 CO 0.05 0.47 0.59 0.54 0.00 0.00 0.00 175.76 177.40 2bwg s VAL 101 N -0.70 4.76 0.02 0.00 0.11 -0.87 -0.96 120.40 122.76 2bwg s VAL 101 Ca 0.09 1.25 0.04 0.00 -2.93 0.00 0.00 61.98 60.43 2bwg s VAL 101 Cb -0.09 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 2bwg s VAL 101 CO 0.01 0.52 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.78 2bwg s SER 102 N -0.88 4.52 -0.10 3.54 0.01 -1.22 -0.18 113.70 119.40 2bwg s SER 102 Ca 0.30 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.25 2bwg s SER 102 Cb -0.19 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.06 2bwg s SER 102 CO 0.19 0.26 0.29 -0.55 0.41 0.00 0.00 173.24 173.84 2bwg s SER 103 N -1.54 -0.28 1.02 2.44 0.15 0.04 -4.45 113.70 111.07 2bwg s SER 103 Ca 0.18 0.52 -0.08 0.00 0.70 0.00 0.00 55.95 57.27 2bwg s SER 103 Cb -0.11 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 64.87 2bwg s SER 103 CO 0.08 -0.14 0.57 0.61 1.20 0.00 0.00 173.24 175.57 2bwg n GLY 104 N 2.74 -1.55 0.54 9.45 0.00 -1.26 -2.30 105.19 112.81 2bwg n GLY 104 Ca -0.14 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.35 2bwg n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bwg n SER 105 N -3.47 1.63 -4.80 1.61 3.41 -1.26 -4.54 113.62 106.20 2bwg n SER 105 Ca 0.07 -1.68 -0.31 0.00 -0.26 0.00 0.00 58.87 56.69 2bwg n SER 105 Cb 0.26 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 2bwg n SER 105 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bwg s GLY 106 N -1.61 1.79 0.17 5.00 0.00 -1.26 -4.94 107.32 106.47 2bwg s GLY 106 Ca 0.33 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.16 2bwg s GLY 106 CO 0.27 0.54 1.70 -1.61 0.00 0.00 0.00 173.10 174.00 2bwg h GLN 107 N -0.56 0.95 -0.59 2.90 -0.00 -2.00 -2.34 115.11 113.47 2bwg h GLN 107 Ca -0.44 -0.21 -0.02 0.00 -0.00 0.00 0.00 58.65 57.97 2bwg h GLN 107 Cb 1.22 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.54 2bwg h GLN 107 CO 0.55 0.85 0.28 -0.91 0.00 0.00 0.00 178.83 179.61 2bwg h ASN 108 N 0.86 0.77 -0.29 -0.69 2.35 -1.97 -1.43 115.58 115.18 2bwg h ASN 108 Ca 0.19 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2bwg h ASN 108 Cb 0.31 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2bwg h ASN 108 CO -0.00 0.68 0.19 0.44 -1.65 0.00 0.00 177.43 177.09 2bwg h ASP 109 N 0.80 0.32 -0.58 5.81 3.32 -1.86 -1.06 116.42 123.17 2bwg h ASP 109 Ca 0.20 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2bwg h ASP 109 Cb 0.12 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2bwg h ASP 109 CO -0.03 0.23 0.26 0.25 -1.72 0.00 0.00 179.24 178.24 2bwg h LEU 110 N 0.38 0.77 -0.40 1.55 5.85 -1.12 0.05 115.31 122.40 2bwg h LEU 110 Ca 0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2bwg h LEU 110 Cb -0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2bwg h LEU 110 CO -0.03 0.70 0.23 -0.33 -0.34 0.00 0.00 178.44 178.67 2bwg h GLU 111 N 0.79 0.55 -0.53 1.25 5.08 -1.13 0.60 114.58 121.19 2bwg h GLU 111 Ca 0.20 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2bwg h GLU 111 Cb 0.15 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2bwg h GLU 111 CO -0.02 0.44 0.14 -0.22 -1.00 0.00 0.00 179.01 178.34 2bwg h LYS 112 N 0.52 0.85 -0.37 2.33 3.64 -0.83 -1.40 116.57 121.30 2bwg h LYS 112 Ca 0.14 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2bwg h LYS 112 Cb 0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2bwg h LYS 112 CO -0.02 0.80 0.12 1.98 -2.27 0.00 0.00 179.45 180.06 2bwg h MET 113 N 0.75 0.57 -0.64 1.90 4.05 -0.83 -1.73 114.93 118.99 2bwg h MET 113 Ca 0.17 -0.12 0.12 0.00 -0.28 0.00 0.00 59.70 59.59 2bwg h MET 113 Cb 0.32 -0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.95 2bwg h MET 113 CO 0.00 0.58 0.17 1.15 0.23 0.00 0.00 176.91 179.04 2bwg h THR 114 N 0.45 0.64 -0.66 -0.77 2.02 -0.69 0.50 112.91 114.40 2bwg h THR 114 Ca 0.12 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2bwg h THR 114 Cb 0.24 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2bwg h THR 114 CO -0.01 0.06 0.12 0.77 0.37 0.00 0.00 175.52 176.83 2bwg h SER 115 N 0.31 1.04 -0.20 4.18 4.64 -0.93 -1.51 113.55 121.07 2bwg h SER 115 Ca 0.34 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2bwg h SER 115 Cb 0.51 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2bwg h SER 115 CO -0.40 1.02 -0.01 0.40 -0.87 0.00 0.00 176.83 176.96 2bwg h ILE 116 N 1.02 1.26 -0.59 0.95 2.04 -0.61 -1.38 117.51 120.21 2bwg h ILE 116 Ca 0.20 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 2bwg h ILE 116 Cb 0.42 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2bwg h ILE 116 CO 0.01 0.28 0.08 -0.07 0.00 0.00 0.00 178.15 178.44 2bwg h LEU 117 N 0.11 0.92 -0.62 1.44 3.38 -0.80 0.32 115.31 120.06 2bwg h LEU 117 Ca 0.06 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 2bwg h LEU 117 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2bwg h LEU 117 CO 0.01 0.94 -0.33 -0.33 0.09 0.00 0.00 178.44 178.82 2bwg h GLU 118 N 0.91 0.72 0.00 1.13 5.08 -1.28 -3.03 114.58 118.10 2bwg h GLU 118 Ca 0.18 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2bwg h GLU 118 Cb 0.43 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2bwg h GLU 118 CO 0.01 0.95 -0.54 0.00 -1.00 0.00 0.00 179.01 178.43 2bwg h ALA 119 N 1.02 0.77 -2.64 3.43 0.00 -0.88 -3.38 119.26 117.59 2bwg h ALA 119 Ca 0.07 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.88 2bwg h ALA 119 Cb 0.85 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.15 2bwg h ALA 119 CO 0.07 0.68 -0.75 0.28 0.00 0.00 0.00 179.25 179.53 2bwg n VAL 120 N -3.41 0.62 0.22 0.00 0.31 0.11 -4.96 118.33 111.21 2bwg n VAL 120 Ca 0.01 -4.38 0.08 0.00 -0.01 0.00 0.00 64.34 60.04 2bwg n VAL 120 Cb 0.67 -1.99 0.40 0.00 -0.91 0.00 0.00 33.84 32.02 2bwg n VAL 120 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2bwg n PRO 121 N 2.04 0.11 0.24 5.55 -0.02 -1.16 -1.81 135.00 139.95 2bwg n PRO 121 Ca 0.25 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 2bwg n PRO 121 Cb 0.42 -1.79 0.39 0.00 -0.02 0.00 0.00 33.50 32.50 2bwg n PRO 121 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2bwg h GLN 122 N 0.00 0.00 -6.17 -0.52 7.50 -1.93 -3.42 115.11 110.57 2bwg h GLN 122 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 2bwg h GLN 122 Cb 0.11 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.56 2bwg h GLN 122 CO 0.00 0.00 0.71 0.08 -1.50 0.00 0.00 178.83 178.12 2bwg s VAL 123 N -3.39 4.56 -0.13 -0.54 1.01 -0.75 -4.15 120.40 117.02 2bwg s VAL 123 Ca 0.05 1.48 0.13 0.00 0.00 0.00 0.00 61.98 63.63 2bwg s VAL 123 Cb 0.07 -4.36 0.22 0.00 0.00 0.00 0.00 36.38 32.31 2bwg s VAL 123 CO 0.61 -0.48 1.13 0.29 0.00 0.00 0.00 175.10 176.65 2bwg n LYS 124 N 6.77 2.00 -4.44 2.72 4.76 -1.26 -4.98 118.16 123.73 2bwg n LYS 124 Ca 0.09 -2.25 -0.22 0.00 -2.87 0.00 0.00 58.31 53.06 2bwg n LYS 124 Cb 0.48 -1.37 -0.16 0.00 -1.84 0.00 0.00 35.03 32.14 2bwg n LYS 124 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2bwg s PHE 125 N -2.23 1.11 -0.08 2.13 0.08 -1.26 -0.99 117.98 116.74 2bwg s PHE 125 Ca 0.23 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.99 2bwg s PHE 125 Cb 0.19 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.82 2bwg s PHE 125 CO 0.03 -0.17 -0.21 0.42 -0.10 0.00 0.00 175.22 175.19 2bwg s ILE 126 N 0.44 2.39 -0.25 0.64 1.01 0.72 -2.05 121.20 124.10 2bwg s ILE 126 Ca -0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2bwg s ILE 126 Cb -0.12 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.46 2bwg s ILE 126 CO 0.01 0.56 -0.06 0.00 0.00 0.00 0.00 174.94 175.46 2bwg s LEU 128 N 1.34 3.17 -0.07 0.00 1.43 0.12 -0.78 118.68 123.89 2bwg s LEU 128 Ca 0.01 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2bwg s LEU 128 Cb -0.16 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2bwg s LEU 128 CO -0.04 0.27 0.17 -1.81 0.23 0.00 0.00 176.35 175.16 2bwg s ASP 129 N -0.24 -0.15 0.30 2.29 1.01 -0.97 -1.64 116.67 117.27 2bwg s ASP 129 Ca 0.03 0.35 0.04 0.00 0.71 0.00 0.00 52.55 53.68 2bwg s ASP 129 Cb -0.13 0.26 -0.06 0.00 1.01 0.00 0.00 42.92 44.00 2bwg s ASP 129 CO 0.03 -0.13 0.05 0.68 0.21 0.00 0.00 175.17 176.00 2bwg s VAL 130 N 0.98 1.12 0.03 -1.27 -7.23 -1.05 -4.17 120.40 108.81 2bwg s VAL 130 Ca -0.07 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 2bwg s VAL 130 Cb -0.09 -2.68 -0.15 0.00 0.56 0.00 0.00 36.38 34.01 2bwg s VAL 130 CO -0.05 -0.07 1.38 0.00 -0.31 0.00 0.00 175.10 176.05 2bwg h ALA 131 N 2.22 0.15 -3.31 1.32 0.00 -0.95 -3.37 119.26 115.31 2bwg h ALA 131 Ca -0.40 -0.25 -0.66 0.00 0.00 0.00 0.00 54.91 53.60 2bwg h ALA 131 Cb 1.24 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 2bwg h ALA 131 CO 0.68 -0.08 -0.53 1.21 0.00 0.00 0.00 179.25 180.52 2bwg s ASN 132 N -5.86 4.72 0.00 0.00 2.47 -1.26 -3.54 114.94 111.47 2bwg s ASN 132 Ca -0.15 -2.89 0.10 0.00 0.42 0.00 0.00 52.86 50.35 2bwg s ASN 132 Cb 0.04 -1.73 0.47 0.00 -1.45 0.00 0.00 41.25 38.59 2bwg s ASN 132 CO 0.72 -0.30 1.31 0.61 -3.72 0.00 0.00 177.10 175.71 2bwg n GLY 133 N 3.34 -0.80 0.67 1.21 0.00 -1.25 -2.06 105.19 106.31 2bwg n GLY 133 Ca 0.06 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2bwg n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bwg n TYR 134 N -1.44 0.12 -2.71 1.61 4.01 -1.26 -4.86 117.16 112.63 2bwg n TYR 134 Ca 0.03 -0.06 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 2bwg n TYR 134 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 2bwg n TYR 134 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2bwg s SER 135 N -1.82 6.78 0.42 7.72 1.04 -0.88 -4.95 113.70 122.02 2bwg s SER 135 Ca 0.35 1.81 0.19 0.00 0.48 0.00 0.00 55.95 58.78 2bwg s SER 135 Cb 0.20 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.68 2bwg s SER 135 CO 0.31 -0.47 1.87 -0.33 0.98 0.00 0.00 173.24 175.59 2bwg h GLU 136 N 2.00 0.00 -0.26 4.02 4.39 -1.93 -2.37 114.58 120.43 2bwg h GLU 136 Ca -0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 2bwg h GLU 136 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2bwg h GLU 136 CO 0.61 0.30 -0.12 0.45 -1.16 0.00 0.00 179.01 179.09 2bwg h HIS 137 N 0.00 0.45 -0.07 4.33 3.86 -1.94 -1.87 115.15 119.91 2bwg h HIS 137 Ca -0.00 -0.06 -0.19 0.00 -1.16 0.00 0.00 60.37 58.96 2bwg h HIS 137 Cb 0.64 -0.12 0.01 0.00 1.06 0.00 0.00 27.41 29.00 2bwg h HIS 137 CO 0.00 0.53 -0.70 0.35 0.86 0.00 0.00 177.93 178.97 2bwg h PHE 138 N 0.40 0.83 -0.66 2.45 3.57 -1.72 -2.21 116.94 119.60 2bwg h PHE 138 Ca 0.08 -0.41 0.13 0.00 3.53 0.00 0.00 57.97 61.30 2bwg h PHE 138 Cb 0.45 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 2bwg h PHE 138 CO 0.01 1.22 0.17 0.28 -2.23 0.00 0.00 178.31 177.76 2bwg h VAL 139 N 0.21 0.62 -0.07 1.41 2.07 -1.28 -0.58 116.25 118.64 2bwg h VAL 139 Ca -0.07 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2bwg h VAL 139 Cb 1.36 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2bwg h VAL 139 CO 0.14 0.05 -0.51 -0.33 0.02 0.00 0.00 177.57 176.95 2bwg h GLU 140 N 0.30 0.17 -0.28 1.57 4.39 -1.32 -1.73 114.58 117.68 2bwg h GLU 140 Ca 0.35 -0.10 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 2bwg h GLU 140 Cb 0.54 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2bwg h GLU 140 CO -0.42 0.65 -0.50 0.35 -1.16 0.00 0.00 179.01 177.92 2bwg h PHE 141 N 0.14 0.98 -0.27 4.33 3.57 -0.73 -2.03 116.94 122.94 2bwg h PHE 141 Ca 0.00 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2bwg h PHE 141 Cb 0.95 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2bwg h PHE 141 CO 0.01 1.13 0.14 0.28 -2.23 0.00 0.00 178.31 177.65 2bwg h VAL 142 N 0.62 1.13 -0.93 1.41 2.07 -0.99 -0.99 116.25 118.57 2bwg h VAL 142 Ca 0.02 -0.36 0.16 0.00 0.82 0.00 0.00 66.70 67.34 2bwg h VAL 142 Cb 1.09 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.64 2bwg h VAL 142 CO 0.11 0.13 0.53 0.11 0.02 0.00 0.00 177.57 178.47 2bwg h LYS 143 N 0.31 0.70 -0.17 1.57 1.57 -1.23 -0.43 116.57 118.89 2bwg h LYS 143 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2bwg h LYS 143 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2bwg h LYS 143 CO -0.01 0.47 -0.16 1.25 -0.57 0.00 0.00 179.45 180.42 2bwg h LEU 144 N 0.73 0.43 -0.70 2.94 5.85 -1.05 -1.89 115.31 121.61 2bwg h LEU 144 Ca 0.51 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2bwg h LEU 144 Cb 0.72 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2bwg h LEU 144 CO -0.36 0.82 0.21 0.58 -0.34 0.00 0.00 178.44 179.35 2bwg h VAL 145 N 0.05 1.26 -0.15 1.05 2.07 -0.90 0.11 116.25 119.74 2bwg h VAL 145 Ca 0.03 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2bwg h VAL 145 Cb 0.70 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2bwg h VAL 145 CO 0.04 0.35 -0.06 -0.09 0.02 0.00 0.00 177.57 177.83 2bwg h ARG 146 N 1.04 -0.04 -0.49 1.57 9.65 -1.08 0.10 114.38 125.13 2bwg h ARG 146 Ca 0.22 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.09 2bwg h ARG 146 Cb 0.32 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2bwg h ARG 146 CO -0.00 -0.03 0.25 0.00 2.80 0.00 0.00 179.97 182.99 2bwg h ALA 147 N 1.10 0.63 -0.48 2.80 0.00 -1.01 -2.15 119.26 120.14 2bwg h ALA 147 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2bwg h ALA 147 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bwg h ALA 147 CO -0.18 0.17 -0.05 0.87 0.00 0.00 0.00 179.25 180.07 2bwg h LYS 148 N 0.65 0.84 -2.24 0.00 1.57 -0.59 -3.37 116.57 113.43 2bwg h LYS 148 Ca 0.17 -0.26 -0.59 0.00 -1.87 0.00 0.00 60.65 58.11 2bwg h LYS 148 Cb 0.09 -0.08 -0.41 0.00 0.08 0.00 0.00 32.23 31.91 2bwg h LYS 148 CO -0.02 0.87 -0.81 1.19 -0.57 0.00 0.00 179.45 180.10 2bwg n PHE 149 N -4.18 1.72 0.28 -1.35 3.72 0.34 -4.99 117.46 113.00 2bwg n PHE 149 Ca 0.02 -3.88 0.15 0.00 -0.05 0.00 0.00 57.45 53.69 2bwg n PHE 149 Cb 0.34 -0.41 0.70 0.00 -0.94 0.00 0.00 39.48 39.17 2bwg n PHE 149 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bwg h PRO 150 N 4.39 0.00 -0.06 -1.08 0.13 -1.56 -2.29 132.00 131.53 2bwg h PRO 150 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2bwg h PRO 150 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2bwg h PRO 150 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 2bwg n GLU 151 N -2.55 0.72 -3.20 0.86 1.02 -1.26 -4.51 120.64 111.71 2bwg n GLU 151 Ca -0.00 -1.19 -0.35 0.00 -0.02 0.00 0.00 57.16 55.60 2bwg n GLU 151 Cb 0.14 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 2bwg n GLU 151 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2bwg s HIS 152 N -0.77 3.57 -0.12 -0.32 3.76 -0.86 -4.79 115.29 115.76 2bwg s HIS 152 Ca 0.12 1.23 -0.22 0.00 -0.15 0.00 0.00 55.06 56.04 2bwg s HIS 152 Cb 0.08 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 2bwg s HIS 152 CO 0.11 0.31 0.64 0.99 -0.85 0.00 0.00 174.74 175.95 2bwg s THR 153 N -1.61 5.06 -0.25 1.30 2.01 -0.16 -4.52 115.64 117.47 2bwg s THR 153 Ca 0.44 1.29 -0.06 0.00 0.31 0.00 0.00 61.69 63.67 2bwg s THR 153 Cb -0.15 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 2bwg s THR 153 CO 0.20 0.22 0.03 -0.63 -0.69 0.00 0.00 174.62 173.75 2bwg s ILE 154 N 1.11 3.86 -0.09 1.82 1.01 -1.26 -0.20 121.20 127.44 2bwg s ILE 154 Ca 0.33 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 2bwg s ILE 154 Cb -0.17 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2bwg s ILE 154 CO 0.14 0.29 0.44 -0.04 0.00 0.00 0.00 174.94 175.77 2bwg s MET 155 N 1.53 4.23 -0.06 2.79 -1.94 0.11 -0.67 119.30 125.30 2bwg s MET 155 Ca 0.05 0.39 -0.02 0.00 -1.71 0.00 0.00 55.69 54.40 2bwg s MET 155 Cb -0.15 -3.38 0.04 0.00 2.01 0.00 0.00 34.83 33.34 2bwg s MET 155 CO 0.01 0.30 0.12 0.00 -0.01 0.00 0.00 175.02 175.44 2bwg s ALA 156 N 0.19 -0.14 0.30 3.03 0.00 -0.25 0.15 121.76 125.03 2bwg s ALA 156 Ca 0.24 0.55 -0.08 0.00 0.00 0.00 0.00 51.96 52.67 2bwg s ALA 156 Cb -0.15 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.49 2bwg s ALA 156 CO 0.10 -0.26 0.54 0.41 0.00 0.00 0.00 175.76 176.55 2bwg n GLY 157 N 4.52 1.59 3.46 0.00 0.00 -0.65 -1.06 105.19 113.05 2bwg n GLY 157 Ca -0.20 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 2bwg n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bwg s ASN 158 N -2.68 3.72 0.31 1.61 -0.87 -1.26 -2.54 114.94 113.24 2bwg s ASN 158 Ca 0.17 -0.64 0.03 0.00 -1.57 0.00 0.00 52.86 50.85 2bwg s ASN 158 Cb -0.03 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.25 40.72 2bwg s ASN 158 CO 0.12 0.17 0.13 0.68 -2.57 0.00 0.00 177.10 175.63 2bwg s VAL 159 N -1.21 0.49 0.00 1.60 -7.23 -0.81 -3.81 120.40 109.43 2bwg s VAL 159 Ca 0.18 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2bwg s VAL 159 Cb -0.10 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2bwg s VAL 159 CO 0.09 0.00 0.26 1.33 -0.31 0.00 0.00 175.10 176.47 2bwg n VAL 160 N -0.62 0.05 -4.09 1.32 0.24 -1.26 -1.11 118.33 112.86 2bwg n VAL 160 Ca -0.00 -0.10 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2bwg n VAL 160 Cb 0.65 1.51 -0.12 0.00 -1.47 0.00 0.00 33.84 34.41 2bwg n VAL 160 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2bwg s THR 161 N -0.05 0.54 0.37 3.34 -4.23 -1.26 -4.60 115.64 109.74 2bwg s THR 161 Ca 0.00 -0.94 0.14 0.00 -1.18 0.00 0.00 61.69 59.71 2bwg s THR 161 Cb 0.00 -0.58 0.11 0.00 1.34 0.00 0.00 72.50 73.37 2bwg s THR 161 CO 0.00 -0.29 1.85 1.23 -0.54 0.00 0.00 174.62 176.87 2bwg h GLY 162 N 4.76 0.00 1.35 3.99 0.00 -1.91 -2.65 103.07 108.61 2bwg h GLY 162 Ca -0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2bwg h GLY 162 CO 0.42 0.00 0.05 1.05 0.00 0.00 0.00 176.54 178.07 2bwg h GLU 163 N 0.00 0.80 0.01 4.80 9.09 -1.97 -0.93 114.58 126.38 2bwg h GLU 163 Ca -0.00 -0.19 -0.20 0.00 0.05 0.00 0.00 59.36 59.02 2bwg h GLU 163 Cb 0.63 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 27.60 2bwg h GLU 163 CO 0.05 0.77 -0.93 1.98 0.05 0.00 0.00 179.01 180.93 2bwg h MET 164 N 0.76 0.03 0.06 1.06 4.05 -1.92 -2.14 114.93 116.83 2bwg h MET 164 Ca 0.16 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2bwg h MET 164 Cb 0.38 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2bwg h MET 164 CO 0.01 0.94 -0.09 0.28 0.23 0.00 0.00 176.91 178.28 2bwg h VAL 165 N 0.01 0.79 -0.57 -5.77 2.07 -1.13 -0.86 116.25 110.79 2bwg h VAL 165 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2bwg h VAL 165 Cb 1.63 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 2bwg h VAL 165 CO 0.12 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.74 2bwg h GLU 166 N -0.18 0.70 -0.47 1.57 5.08 -1.14 -1.26 114.58 118.88 2bwg h GLU 166 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2bwg h GLU 166 Cb 0.19 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2bwg h GLU 166 CO -0.04 0.46 0.24 1.49 -1.00 0.00 0.00 179.01 180.16 2bwg h GLU 167 N 0.72 0.68 -0.18 2.33 4.57 -1.15 0.14 114.58 121.69 2bwg h GLU 167 Ca 0.22 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.20 2bwg h GLU 167 Cb -0.01 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 2bwg h GLU 167 CO -0.08 0.56 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.86 2bwg h LEU 168 N 0.62 0.42 -0.12 1.64 3.38 -0.94 -0.44 115.31 119.86 2bwg h LEU 168 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2bwg h LEU 168 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bwg h LEU 168 CO -0.02 0.76 -0.29 0.40 0.09 0.00 0.00 178.44 179.37 2bwg h ILE 169 N 0.34 1.38 0.00 1.22 2.04 -0.84 -0.86 117.51 120.79 2bwg h ILE 169 Ca 0.03 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 2bwg h ILE 169 Cb 0.82 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2bwg h ILE 169 CO 0.07 0.47 -0.10 -0.07 0.00 0.00 0.00 178.15 178.51 2bwg h LEU 170 N -0.01 0.00 -0.08 1.44 3.38 -0.60 -1.84 115.31 117.61 2bwg h LEU 170 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bwg h LEU 170 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2bwg h LEU 170 CO 0.06 0.10 -0.18 -1.20 0.09 0.00 0.00 178.44 177.31 2bwg n SER 171 N -3.84 0.31 0.00 -0.43 7.64 -0.19 -4.93 113.62 112.18 2bwg n SER 171 Ca -0.02 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2bwg n SER 171 Cb 0.20 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2bwg n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bwg n GLY 172 N 1.42 0.84 3.76 0.23 0.00 -0.69 -3.26 105.19 107.50 2bwg n GLY 172 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2bwg n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwg s ALA 173 N -1.06 3.31 -0.13 4.61 0.00 -0.36 -4.77 121.76 123.35 2bwg s ALA 173 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 2bwg s ALA 173 Cb 0.00 -3.28 -0.25 0.00 0.00 0.00 0.00 23.12 19.59 2bwg s ALA 173 CO 0.00 -0.07 0.33 -0.25 0.00 0.00 0.00 175.76 175.76 2bwg n ASP 174 N 0.91 2.11 -4.06 0.00 8.00 0.15 -4.22 116.55 119.44 2bwg n ASP 174 Ca 0.00 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 2bwg n ASP 174 Cb 0.47 -0.85 -0.17 0.00 -0.02 0.00 0.00 41.12 40.55 2bwg n ASP 174 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2bwg s ILE 175 N -2.55 1.33 -0.21 0.53 1.01 -0.31 -2.42 121.20 118.58 2bwg s ILE 175 Ca -0.23 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 2bwg s ILE 175 Cb 0.07 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2bwg s ILE 175 CO 0.75 0.40 0.08 -0.63 0.00 0.00 0.00 174.94 175.54 2bwg s ILE 176 N 0.63 4.72 -0.31 2.92 -1.09 -0.33 -1.10 121.20 126.65 2bwg s ILE 176 Ca -0.15 -0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 57.97 2bwg s ILE 176 Cb -0.16 -3.16 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2bwg s ILE 176 CO 0.04 0.41 0.88 -0.54 -1.23 0.00 0.00 174.94 174.50 2bwg s LYS 177 N 0.84 4.00 -0.22 2.79 1.02 -0.23 -0.54 119.74 127.40 2bwg s LYS 177 Ca 0.04 0.75 -0.06 0.00 0.02 0.00 0.00 55.97 56.72 2bwg s LYS 177 Cb -0.13 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2bwg s LYS 177 CO 0.02 -0.74 0.04 0.08 -0.92 0.00 0.00 175.35 173.83 2bwg s VAL 178 N 3.16 4.17 0.00 3.17 1.01 0.16 -1.93 120.40 130.14 2bwg s VAL 178 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2bwg s VAL 178 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2bwg s VAL 178 CO 0.13 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2bwg n GLY 179 N 4.53 3.34 2.65 4.51 0.00 -0.27 0.61 105.19 120.55 2bwg n GLY 179 Ca -0.17 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2bwg n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bwg s VAL 180 N 0.00 0.13 0.00 1.61 1.01 -1.26 -4.67 120.40 117.21 2bwg s VAL 180 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2bwg s VAL 180 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2bwg s VAL 180 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2bwg n GLY 181 N 5.20 2.88 0.26 4.51 0.00 -1.26 -1.28 105.19 115.49 2bwg n GLY 181 Ca -0.07 -0.79 0.17 0.00 0.00 0.00 0.00 46.02 45.33 2bwg n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2bwg h PRO 182 N 0.00 0.00 -6.38 1.61 0.11 -1.92 -3.44 132.00 121.99 2bwg h PRO 182 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 2bwg h PRO 182 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 2bwg h PRO 182 CO 0.00 0.00 0.42 0.41 -0.21 0.00 0.00 178.00 178.62 2bwg n GLY 183 N -1.19 0.36 0.31 -0.55 0.00 -1.26 -3.38 105.19 99.49 2bwg n GLY 183 Ca -0.02 0.58 0.13 0.00 0.00 0.00 0.00 46.02 46.70 2bwg n GLY 183 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bwg h SER 184 N 4.01 0.29 -0.15 1.61 4.64 -1.93 -1.70 113.55 120.32 2bwg h SER 184 Ca -0.45 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2bwg h SER 184 Cb 1.32 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2bwg h SER 184 CO 0.74 -0.02 0.00 1.33 -0.87 0.00 0.00 176.83 178.02 2bwg n VAL 185 N -5.06 0.27 -1.93 0.95 0.24 -1.26 -4.96 118.33 106.58 2bwg n VAL 185 Ca 0.22 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.34 61.49 2bwg n VAL 185 Cb 0.65 1.10 0.01 0.00 -1.47 0.00 0.00 33.84 34.13 2bwg n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bwg n THR 187 N -0.22 0.57 -0.18 0.00 -2.24 -1.26 -4.82 114.28 106.12 2bwg n THR 187 Ca 0.06 -1.35 -0.04 0.00 -2.27 0.00 0.00 64.05 60.45 2bwg n THR 187 Cb 0.43 0.57 0.16 0.00 -2.10 0.00 0.00 70.33 69.40 2bwg n THR 187 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2bwg h THR 188 N 5.32 1.23 -0.52 4.28 1.35 -1.85 -0.19 112.91 122.53 2bwg h THR 188 Ca -0.13 -0.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.89 2bwg h THR 188 Cb 1.57 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 2bwg h THR 188 CO 0.05 0.31 0.12 0.03 -0.25 0.00 0.00 175.52 175.79 2bwg h ARG 189 N 0.92 0.84 -0.09 4.72 3.08 -1.87 0.61 114.38 122.58 2bwg h ARG 189 Ca 0.21 -0.20 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 2bwg h ARG 189 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2bwg h ARG 189 CO -0.01 0.80 -0.76 1.15 -1.07 0.00 0.00 179.97 180.08 2bwg h THR 190 N 0.73 1.35 0.00 2.04 2.02 -1.86 -1.12 112.91 116.07 2bwg h THR 190 Ca 0.16 -2.11 -0.15 0.00 0.77 0.00 0.00 66.41 65.08 2bwg h THR 190 Cb 0.34 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 2bwg h THR 190 CO 0.00 0.64 -1.94 0.29 0.37 0.00 0.00 175.52 174.88 2bwg n LYS 191 N -3.86 0.66 0.00 6.66 5.02 -0.10 -4.65 118.16 121.89 2bwg n LYS 191 Ca -0.05 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2bwg n LYS 191 Cb 0.73 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2bwg n LYS 191 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bwg n THR 192 N -2.56 0.00 -1.06 -0.18 -2.24 0.19 -5.02 114.28 103.41 2bwg n THR 192 Ca -0.14 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 2bwg n THR 192 Cb 0.81 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 2bwg n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bwg n GLY 193 N 1.11 0.43 3.77 3.38 0.00 -0.13 -4.96 105.19 108.78 2bwg n GLY 193 Ca 0.00 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2bwg n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bwg s VAL 194 N -1.68 4.80 -4.18 1.61 1.01 -1.24 -4.92 120.40 115.81 2bwg s VAL 194 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2bwg s VAL 194 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2bwg s VAL 194 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2bwg n GLY 195 N 1.93 -2.56 3.51 4.51 0.00 -1.26 -3.49 105.19 107.83 2bwg n GLY 195 Ca -0.18 -1.27 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 2bwg n GLY 195 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bwg s TYR 196 N -2.07 -0.65 0.39 1.61 5.04 -0.40 -5.01 117.35 116.26 2bwg s TYR 196 Ca 0.00 1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 55.91 2bwg s TYR 196 Cb 0.00 0.24 -0.11 0.00 0.35 0.00 0.00 41.96 42.44 2bwg s TYR 196 CO 0.00 -0.35 1.49 -2.30 -1.34 0.00 0.00 175.55 173.05 2bwg n PRO 197 N 2.57 2.63 -0.15 4.97 -0.02 -1.26 -4.49 135.00 139.25 2bwg n PRO 197 Ca -0.14 0.92 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2bwg n PRO 197 Cb 0.56 -2.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 2bwg n PRO 197 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2bwg h GLN 198 N 2.85 0.96 -0.03 -0.52 5.75 -1.95 -1.74 115.11 120.44 2bwg h GLN 198 Ca -0.51 -0.41 -0.00 0.00 -0.15 0.00 0.00 58.65 57.58 2bwg h GLN 198 Cb 1.25 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 2bwg h GLN 198 CO 0.63 1.08 0.01 1.25 -2.65 0.00 0.00 178.83 179.16 2bwg h LEU 199 N 0.83 0.04 -1.37 -2.39 5.85 -1.85 -1.98 115.31 114.43 2bwg h LEU 199 Ca 0.11 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2bwg h LEU 199 Cb 0.79 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2bwg h LEU 199 CO 0.07 0.18 -0.16 0.28 -0.34 0.00 0.00 178.44 178.47 2bwg h SER 200 N -0.10 0.21 0.67 1.25 0.02 -1.39 0.43 113.55 114.64 2bwg h SER 200 Ca 0.01 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2bwg h SER 200 Cb 0.15 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2bwg h SER 200 CO -0.00 0.39 -0.32 0.00 -1.14 0.00 0.00 176.83 175.76 2bwg h ALA 201 N 1.63 -0.90 -0.94 3.77 0.00 -1.16 -2.26 119.26 119.41 2bwg h ALA 201 Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2bwg h ALA 201 Cb 0.41 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2bwg h ALA 201 CO 0.03 -0.97 0.62 0.28 0.00 0.00 0.00 179.25 179.21 2bwg h VAL 202 N -0.98 1.19 -0.11 0.00 2.07 -1.04 0.47 116.25 117.86 2bwg h VAL 202 Ca -0.09 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2bwg h VAL 202 Cb 0.71 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2bwg h VAL 202 CO 0.15 0.22 -0.06 0.40 0.02 0.00 0.00 177.57 178.30 2bwg h ILE 203 N 1.22 0.81 -0.02 4.57 1.08 -0.85 -0.32 117.51 123.99 2bwg h ILE 203 Ca 0.36 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.67 2bwg h ILE 203 Cb -0.06 0.81 0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2bwg h ILE 203 CO -0.10 0.00 -0.62 -0.33 -0.69 0.00 0.00 178.15 176.41 2bwg h GLU 204 N -0.06 0.46 -0.21 2.37 5.08 -1.06 -3.19 114.58 117.97 2bwg h GLU 204 Ca 0.06 -0.47 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2bwg h GLU 204 Cb 0.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bwg h GLU 204 CO -0.14 1.11 -0.44 0.00 -1.00 0.00 0.00 179.01 178.54 2bwg h ALA 206 N 1.10 0.06 -0.63 0.00 0.00 -1.14 -1.07 119.26 117.57 2bwg h ALA 206 Ca 0.03 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2bwg h ALA 206 Cb 0.94 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2bwg h ALA 206 CO 0.08 -0.42 0.22 -0.44 0.00 0.00 0.00 179.25 178.70 2bwg h ASP 207 N 0.00 0.20 -0.35 0.00 3.32 -1.53 -0.35 116.42 117.72 2bwg h ASP 207 Ca 0.02 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 2bwg h ASP 207 Cb 0.06 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2bwg h ASP 207 CO -0.00 0.11 0.07 -1.28 -1.72 0.00 0.00 179.24 176.41 2bwg h SER 208 N 0.39 0.54 -0.05 6.45 0.87 -1.26 -1.20 113.55 119.28 2bwg h SER 208 Ca 0.33 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2bwg h SER 208 Cb 0.43 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2bwg h SER 208 CO -0.34 0.65 0.02 0.00 -0.53 0.00 0.00 176.83 176.63 2bwg h ALA 209 N 0.91 0.07 0.00 6.23 0.00 -0.88 -3.20 119.26 122.40 2bwg h ALA 209 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bwg h ALA 209 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2bwg h ALA 209 CO 0.00 -0.32 -0.28 0.45 0.00 0.00 0.00 179.25 179.11 2bwg h HIS 210 N -0.11 0.00 -0.01 0.00 -0.00 -0.92 0.10 115.15 114.21 2bwg h HIS 210 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2bwg h HIS 210 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2bwg h HIS 210 CO -0.00 0.28 0.01 0.78 -0.00 0.00 0.00 177.93 179.00 2bwg h GLY 211 N 1.49 0.00 -2.34 2.45 0.00 -1.21 -1.15 103.07 102.32 2bwg h GLY 211 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bwg h GLY 211 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 2bwg n LEU 212 N -3.78 3.63 -2.36 3.11 4.77 -0.29 -4.94 117.00 117.14 2bwg n LEU 212 Ca -0.03 -1.85 -0.21 0.00 -0.03 0.00 0.00 56.01 53.89 2bwg n LEU 212 Cb 0.10 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2bwg n LEU 212 CO 0.27 0.87 -0.26 0.29 -1.33 0.00 0.00 177.39 177.23 2bwg n LYS 213 N 1.41 -1.69 -1.40 3.23 5.02 -0.43 -4.99 118.16 119.31 2bwg n LYS 213 Ca 0.21 1.02 -0.04 0.00 -2.02 0.00 0.00 58.31 57.47 2bwg n LYS 213 Cb 0.58 -5.67 0.02 0.00 -0.02 0.00 0.00 35.03 29.94 2bwg n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bwg n GLY 214 N -0.98 1.83 3.08 0.72 0.00 0.19 -4.23 105.19 105.81 2bwg n GLY 214 Ca -0.24 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.55 2bwg n GLY 214 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bwg s HIS 215 N 0.14 0.56 0.13 1.61 3.76 -1.02 -3.91 115.29 116.57 2bwg s HIS 215 Ca 0.14 -0.84 0.06 0.00 -0.15 0.00 0.00 55.06 54.27 2bwg s HIS 215 Cb -0.01 -0.37 -0.04 0.00 1.11 0.00 0.00 32.58 33.27 2bwg s HIS 215 CO 0.09 -0.25 -0.14 0.96 -0.85 0.00 0.00 174.74 174.55 2bwg s ILE 216 N -2.95 1.37 -0.21 0.60 -4.36 -1.26 -1.18 121.20 113.21 2bwg s ILE 216 Ca 0.01 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 2bwg s ILE 216 Cb 0.01 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 2bwg s ILE 216 CO -0.05 -0.44 -0.00 -0.63 0.24 0.00 0.00 174.94 174.06 2bwg s ILE 217 N -2.24 3.89 -0.49 8.37 1.01 0.30 -1.45 121.20 130.60 2bwg s ILE 217 Ca 0.10 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 2bwg s ILE 217 Cb -0.04 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 2bwg s ILE 217 CO 0.03 0.42 1.61 -0.55 0.00 0.00 0.00 174.94 176.45 2bwg s SER 218 N 1.11 5.92 -0.45 3.58 0.15 -0.39 0.36 113.70 123.98 2bwg s SER 218 Ca 0.02 0.65 -0.09 0.00 0.70 0.00 0.00 55.95 57.24 2bwg s SER 218 Cb -0.14 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.73 2bwg s SER 218 CO 0.01 -1.81 0.31 -0.62 1.20 0.00 0.00 173.24 172.34 2bwg s ASP 219 N 5.56 5.68 0.00 5.45 2.15 0.20 -0.16 116.67 135.55 2bwg s ASP 219 Ca 0.64 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.87 2bwg s ASP 219 Cb -0.15 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2bwg s ASP 219 CO 0.28 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2bwg n GLY 220 N 4.91 2.09 0.00 2.66 0.00 -1.14 -4.17 105.19 109.55 2bwg n GLY 220 Ca -0.09 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2bwg n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bwg n GLY 221 N 1.89 2.97 3.68 -0.02 0.00 -1.22 -4.71 105.19 107.78 2bwg n GLY 221 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2bwg n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwg n THR 223 N 4.98 0.00 -3.62 0.00 -2.24 -1.26 -4.56 114.28 107.58 2bwg n THR 223 Ca 0.14 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 2bwg n THR 223 Cb 0.44 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 2bwg n THR 223 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bwg h PRO 225 N 2.00 0.00 -0.58 0.00 0.11 -1.92 -1.70 132.00 129.91 2bwg h PRO 225 Ca -0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 2bwg h PRO 225 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2bwg h PRO 225 CO 0.30 0.00 0.10 0.78 -0.21 0.00 0.00 178.00 178.97 2bwg h GLY 226 N 0.00 1.03 1.01 -0.55 0.00 -1.95 -0.73 103.07 101.88 2bwg h GLY 226 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2bwg h GLY 226 CO -0.00 0.63 0.40 -0.55 0.00 0.00 0.00 176.54 177.02 2bwg h ASP 227 N 0.85 0.94 -0.74 0.19 3.32 -1.72 0.30 116.42 119.57 2bwg h ASP 227 Ca 0.18 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.16 2bwg h ASP 227 Cb 0.41 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 2bwg h ASP 227 CO 0.01 0.78 0.46 0.58 -1.72 0.00 0.00 179.24 179.35 2bwg h VAL 228 N 1.04 1.09 -0.62 -1.35 2.07 -1.17 0.15 116.25 117.46 2bwg h VAL 228 Ca 0.26 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 2bwg h VAL 228 Cb 0.05 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2bwg h VAL 228 CO -0.04 0.16 0.09 0.00 0.02 0.00 0.00 177.57 177.80 2bwg h ALA 229 N 1.32 0.83 -0.66 1.67 0.00 -0.55 -2.60 119.26 119.27 2bwg h ALA 229 Ca 0.30 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2bwg h ALA 229 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2bwg h ALA 229 CO -0.12 0.60 0.12 0.87 0.00 0.00 0.00 179.25 180.72 2bwg h LYS 230 N 0.95 1.08 0.01 0.00 1.57 -0.22 -0.89 116.57 119.08 2bwg h LYS 230 Ca 0.19 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2bwg h LYS 230 Cb 0.45 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2bwg h LYS 230 CO 0.02 0.98 -0.25 0.00 -0.57 0.00 0.00 179.45 179.62 2bwg h ALA 231 N 1.11 -0.35 -0.93 3.86 0.00 -0.57 0.33 119.26 122.71 2bwg h ALA 231 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2bwg h ALA 231 Cb 0.41 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2bwg h ALA 231 CO 0.01 -0.76 0.61 0.74 0.00 0.00 0.00 179.25 179.86 2bwg h PHE 232 N -0.40 1.15 -0.04 0.00 0.04 -1.29 -2.32 116.94 114.08 2bwg h PHE 232 Ca 0.06 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 2bwg h PHE 232 Cb 0.47 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2bwg h PHE 232 CO -0.28 0.69 -0.29 0.78 -0.60 0.00 0.00 178.31 178.60 2bwg h GLY 233 N 1.20 0.08 2.00 -1.45 0.00 -0.69 -2.56 103.07 101.66 2bwg h GLY 233 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2bwg h GLY 233 CO -0.10 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.50 2bwg n ALA 234 N -2.48 2.30 0.00 3.60 0.00 0.06 -4.38 120.51 119.62 2bwg n ALA 234 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bwg n ALA 234 Cb 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2bwg n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bwg n GLY 235 N 1.42 1.00 3.69 0.00 0.00 -0.96 -4.06 105.19 106.27 2bwg n GLY 235 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2bwg n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwg n ALA 236 N 0.00 1.91 0.09 4.61 0.00 -0.93 -4.87 120.51 121.32 2bwg n ALA 236 Ca 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 2bwg n ALA 236 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 16.89 2bwg n ALA 236 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bwg h ASP 237 N 6.06 0.65 -2.72 0.00 3.32 -1.74 -3.41 116.42 118.57 2bwg h ASP 237 Ca -0.44 -0.92 -0.52 0.00 0.02 0.00 0.00 57.03 55.17 2bwg h ASP 237 Cb 1.24 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 2bwg h ASP 237 CO 0.90 1.52 -0.68 -0.36 -1.72 0.00 0.00 179.24 178.90 2bwg s PHE 238 N -2.58 2.04 -0.08 4.55 0.08 -0.53 -4.78 117.98 116.68 2bwg s PHE 238 Ca -0.12 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2bwg s PHE 238 Cb 0.03 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 2bwg s PHE 238 CO 0.88 0.36 -0.11 0.08 -0.10 0.00 0.00 175.22 176.33 2bwg s VAL 239 N -2.91 1.11 -0.16 -0.44 1.01 -0.62 -1.26 120.40 117.12 2bwg s VAL 239 Ca 0.30 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2bwg s VAL 239 Cb 0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2bwg s VAL 239 CO 0.13 0.36 0.03 -0.32 0.00 0.00 0.00 175.10 175.29 2bwg s MET 240 N 0.93 3.75 -0.06 2.72 1.75 0.78 -0.12 119.30 129.04 2bwg s MET 240 Ca -0.10 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 53.99 2bwg s MET 240 Cb -0.15 -3.08 0.00 0.00 2.84 0.00 0.00 34.83 34.45 2bwg s MET 240 CO 0.01 0.34 -0.16 -0.51 -0.65 0.00 0.00 175.02 174.05 2bwg s LEU 241 N 0.14 1.83 0.04 4.11 1.43 0.58 -2.87 118.68 123.94 2bwg s LEU 241 Ca 0.03 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2bwg s LEU 241 Cb -0.13 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2bwg s LEU 241 CO 0.01 0.11 -0.04 0.61 0.23 0.00 0.00 176.35 177.27 2bwg n GLY 242 N 3.43 -0.09 0.25 -3.19 0.00 -1.26 -0.74 105.19 103.59 2bwg n GLY 242 Ca -0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2bwg n GLY 242 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bwg h GLY 243 N -0.12 0.93 2.00 -0.02 0.00 -1.95 0.67 103.07 104.58 2bwg h GLY 243 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2bwg h GLY 243 CO 0.00 0.11 -0.06 -0.33 0.00 0.00 0.00 176.54 176.26 2bwg h MET 244 N 0.60 0.00 0.00 4.80 2.07 -1.88 -2.18 114.93 118.33 2bwg h MET 244 Ca 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.93 2bwg h MET 244 Cb 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 2bwg h MET 244 CO -0.21 0.06 -1.12 1.19 1.07 0.00 0.00 176.91 177.90 2bwg n PHE 245 N -3.28 0.10 -1.51 -0.22 3.72 -0.49 -4.97 117.46 110.81 2bwg n PHE 245 Ca -0.01 0.03 -0.36 0.00 -0.05 0.00 0.00 57.45 57.06 2bwg n PHE 245 Cb 0.24 -0.26 0.09 0.00 -0.94 0.00 0.00 39.48 38.60 2bwg n PHE 245 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2bwg n SER 246 N -1.79 1.55 0.00 4.37 3.41 0.11 -3.97 113.62 117.30 2bwg n SER 246 Ca 0.02 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 2bwg n SER 246 Cb 0.41 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 2bwg n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bwg n GLY 247 N 0.86 0.75 3.95 5.00 0.00 -1.26 -4.82 105.19 109.66 2bwg n GLY 247 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2bwg n GLY 247 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bwg s HIS 248 N -2.72 3.29 0.40 1.61 4.02 -1.26 -0.93 115.29 119.70 2bwg s HIS 248 Ca 0.00 0.25 0.11 0.00 1.02 0.00 0.00 55.06 56.44 2bwg s HIS 248 Cb 0.00 -2.20 0.92 0.00 -1.02 0.00 0.00 32.58 30.29 2bwg s HIS 248 CO 0.00 -0.23 1.94 1.15 1.02 0.00 0.00 174.74 178.62 2bwg h THR 249 N 0.50 0.88 0.00 1.30 2.02 -0.96 -0.81 112.91 115.84 2bwg h THR 249 Ca -0.47 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2bwg h THR 249 Cb 1.24 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2bwg h THR 249 CO 0.58 0.10 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 2bwg n GLU 250 N -4.49 0.08 -2.39 6.66 4.71 -1.26 -4.83 120.64 119.12 2bwg n GLU 250 Ca 0.13 0.10 -0.36 0.00 -0.01 0.00 0.00 57.16 57.02 2bwg n GLU 250 Cb 0.40 -1.60 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 2bwg n GLU 250 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bwg s ALA 252 N -1.69 3.64 0.00 0.00 0.00 0.08 -4.85 121.76 118.94 2bwg s ALA 252 Ca 0.64 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2bwg s ALA 252 Cb -0.24 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2bwg s ALA 252 CO 0.29 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2bwg n GLY 253 N 1.55 3.00 3.98 0.00 0.00 -1.26 -4.78 105.19 107.68 2bwg n GLY 253 Ca 0.05 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 2bwg n GLY 253 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bwg s GLU 254 N -3.05 3.04 0.23 1.61 0.41 -1.26 -5.05 118.70 114.63 2bwg s GLU 254 Ca 0.00 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.46 2bwg s GLU 254 Cb 0.00 -2.69 -0.09 0.00 -1.78 0.00 0.00 34.13 29.57 2bwg s GLU 254 CO 0.00 -0.15 1.08 0.08 -0.49 0.00 0.00 175.26 175.78 2bwg s VAL 255 N -2.38 3.72 -0.13 2.63 1.01 -1.26 -4.60 120.40 119.39 2bwg s VAL 255 Ca 0.48 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.94 2bwg s VAL 255 Cb -0.10 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2bwg s VAL 255 CO 0.34 0.34 -0.28 2.30 0.00 0.00 0.00 175.10 177.81 2bwg n ILE 256 N 1.70 1.43 -0.12 2.22 -5.35 0.32 -4.91 119.36 114.65 2bwg n ILE 256 Ca 0.00 0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 2bwg n ILE 256 Cb 0.46 -2.17 0.00 0.00 -1.74 0.00 0.00 39.64 36.19 2bwg n ILE 256 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2bwg n ARG 261 N -4.25 0.00 -3.48 6.28 3.00 -1.26 -2.13 116.66 114.83 2bwg n ARG 261 Ca -0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.35 2bwg n ARG 261 Cb 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 32.46 32.78 2bwg n ARG 261 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2bwg s LYS 262 N -0.03 4.25 0.06 -0.14 2.20 -1.26 -5.06 119.74 119.75 2bwg s LYS 262 Ca 0.00 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2bwg s LYS 262 Cb 0.00 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 2bwg s LYS 262 CO 0.00 0.16 -0.05 -0.48 -0.36 0.00 0.00 175.35 174.62 2bwg s LEU 263 N 0.70 2.39 0.10 5.43 0.05 -0.90 -0.43 118.68 126.02 2bwg s LEU 263 Ca 0.18 -0.79 0.10 0.00 0.05 0.00 0.00 54.13 53.66 2bwg s LEU 263 Cb -0.14 0.00 -0.04 0.00 -2.05 0.00 0.00 46.19 43.97 2bwg s LEU 263 CO 0.05 -0.40 -0.25 -0.54 -0.55 0.00 0.00 176.35 174.67 2bwg s LYS 264 N -2.83 1.39 0.12 1.48 -0.14 -0.11 0.12 119.74 119.76 2bwg s LYS 264 Ca -0.00 -1.24 -0.27 0.00 -1.36 0.00 0.00 55.97 53.10 2bwg s LYS 264 Cb -0.01 -1.75 -0.07 0.00 -1.68 0.00 0.00 37.83 34.32 2bwg s LYS 264 CO -0.04 0.42 0.85 -1.17 -0.76 0.00 0.00 175.35 174.65 2bwg s LEU 265 N -1.84 4.53 -0.07 3.17 2.96 -1.26 -0.58 118.68 125.59 2bwg s LEU 265 Ca 0.11 1.67 -0.00 0.00 -0.22 0.00 0.00 54.13 55.69 2bwg s LEU 265 Cb -0.10 -3.41 0.03 0.00 0.50 0.00 0.00 46.19 43.21 2bwg s LEU 265 CO 0.05 0.06 -0.03 0.12 -1.32 0.00 0.00 176.35 175.23 2bwg s PHE 266 N -0.49 0.89 0.04 5.38 5.99 0.13 -4.90 117.98 125.02 2bwg s PHE 266 Ca 0.41 -0.31 0.02 0.00 0.00 0.00 0.00 56.93 57.05 2bwg s PHE 266 Cb -0.23 -0.87 -0.02 0.00 0.00 0.00 0.00 43.02 41.90 2bwg s PHE 266 CO 0.27 -0.33 -0.08 1.52 -0.00 0.00 0.00 175.22 176.60 2bwg s TYR 267 N 1.61 0.68 0.67 10.12 1.13 -1.26 0.23 117.35 130.54 2bwg s TYR 267 Ca 0.00 -0.49 -0.17 0.00 -1.41 0.00 0.00 57.07 55.01 2bwg s TYR 267 Cb -0.13 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 2bwg s TYR 267 CO -0.04 -0.08 1.26 0.41 -2.51 0.00 0.00 175.55 174.59 2bwg n GLY 268 N 1.50 0.42 0.24 5.49 0.00 0.67 -4.68 105.19 108.83 2bwg n GLY 268 Ca -0.22 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.62 2bwg n GLY 268 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bwg h MET 269 N 0.28 0.15 -0.37 1.61 0.00 -1.92 -2.10 114.93 112.59 2bwg h MET 269 Ca -0.50 -0.03 -0.13 0.00 0.00 0.00 0.00 59.70 59.03 2bwg h MET 269 Cb 1.33 -0.02 -0.08 0.00 0.00 0.00 0.00 31.60 32.83 2bwg h MET 269 CO 0.52 0.30 0.01 0.43 0.00 0.00 0.00 176.91 178.17 2bwg n SER 270 N -4.30 3.18 -4.75 1.22 7.64 -1.26 -4.81 113.62 110.55 2bwg n SER 270 Ca -0.01 -3.45 -0.30 0.00 1.01 0.00 0.00 58.87 56.12 2bwg n SER 270 Cb 0.25 -0.62 0.12 0.00 -1.01 0.00 0.00 64.21 62.96 2bwg n SER 270 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bwg s SER 271 N -2.18 3.75 0.32 6.43 1.04 -0.79 -3.41 113.70 118.86 2bwg s SER 271 Ca 0.45 1.39 0.01 0.00 0.48 0.00 0.00 55.95 58.27 2bwg s SER 271 Cb 0.39 -2.08 0.54 0.00 0.10 0.00 0.00 66.02 64.97 2bwg s SER 271 CO 0.04 -2.45 1.96 0.44 0.98 0.00 0.00 173.24 174.21 2bwg h ASP 272 N -1.42 0.86 -0.51 7.02 3.32 -1.89 -0.30 116.42 123.50 2bwg h ASP 272 Ca -0.49 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2bwg h ASP 272 Cb 1.28 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2bwg h ASP 272 CO 0.57 0.59 0.28 0.74 -1.72 0.00 0.00 179.24 179.70 2bwg h THR 273 N 1.00 1.18 -0.36 0.35 2.02 -1.92 -0.11 112.91 115.07 2bwg h THR 273 Ca 0.32 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 2bwg h THR 273 Cb 0.04 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2bwg h THR 273 CO -0.09 0.19 -0.03 0.00 0.37 0.00 0.00 175.52 175.96 2bwg h ALA 274 N 1.12 0.49 -0.88 6.16 0.00 -1.70 -1.13 119.26 123.31 2bwg h ALA 274 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2bwg h ALA 274 Cb 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2bwg h ALA 274 CO -0.03 0.29 0.58 0.52 0.00 0.00 0.00 179.25 180.61 2bwg h MET 275 N 0.46 1.12 -0.40 0.00 2.07 -0.81 0.31 114.93 117.69 2bwg h MET 275 Ca 0.10 -0.07 -0.15 0.00 -2.07 0.00 0.00 59.70 57.52 2bwg h MET 275 Cb 0.51 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2bwg h MET 275 CO 0.02 0.74 -0.32 -0.91 1.07 0.00 0.00 176.91 177.51 2bwg h ASN 276 N 1.16 0.95 0.25 1.22 2.35 -0.96 -3.24 115.58 117.30 2bwg h ASN 276 Ca 0.34 -0.40 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 2bwg h ASN 276 Cb -0.08 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 2bwg h ASN 276 CO -0.09 1.18 -0.61 0.50 -1.65 0.00 0.00 177.43 176.76 2bwg h LYS 277 N 0.75 0.35 0.00 0.81 3.64 -0.67 -3.51 116.57 117.95 2bwg h LYS 277 Ca 0.08 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2bwg h LYS 277 Cb 0.90 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2bwg h LYS 277 CO 0.08 0.85 0.00 0.72 -2.27 0.00 0.00 179.45 178.83 2bwg n HIS 278 N -3.89 0.00 0.22 1.91 8.25 0.11 -5.08 115.22 116.73 2bwg n HIS 278 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2bwg n HIS 278 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2bwg n HIS 278 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bwg n ALA 283 N -3.00 0.00 -2.46 -1.41 0.00 -1.26 -4.98 120.51 107.40 2bwg n ALA 283 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2bwg n ALA 283 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bwg n ALA 283 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2bwg n GLU 284 N -3.39 3.23 0.06 0.00 0.00 -1.26 -4.71 120.64 114.57 2bwg n GLU 284 Ca 0.00 -4.36 -0.21 0.00 0.00 0.00 0.00 57.16 52.59 2bwg n GLU 284 Cb 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 31.44 29.15 2bwg n GLU 284 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2bwg h TYR 285 N 2.59 0.79 -2.08 -1.84 3.20 -1.87 -1.50 116.97 116.25 2bwg h TYR 285 Ca 0.27 -0.50 -0.61 0.00 3.14 0.00 0.00 58.73 61.02 2bwg h TYR 285 Cb 0.99 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 39.06 2bwg h TYR 285 CO 0.79 1.35 -0.72 1.03 -1.64 0.00 0.00 178.16 178.97 2bwg s ARG 286 N -2.91 1.75 0.61 1.82 1.81 -1.26 -2.49 118.95 118.28 2bwg s ARG 286 Ca -0.11 -1.84 0.38 0.00 -1.72 0.00 0.00 55.73 52.43 2bwg s ARG 286 Cb 0.04 -1.75 1.90 0.00 -0.45 0.00 0.00 34.95 34.70 2bwg s ARG 286 CO 0.88 0.24 2.19 0.00 -0.68 0.00 0.00 175.30 177.93 2bwg h ALA 287 N 2.15 1.04 -2.54 2.13 0.00 -1.72 -3.39 119.26 116.93 2bwg h ALA 287 Ca -0.41 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 2bwg h ALA 287 Cb 1.26 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 2bwg h ALA 287 CO 0.65 0.02 -0.70 -1.54 0.00 0.00 0.00 179.25 177.67 2bwg s SER 288 N -5.50 0.89 -0.44 0.00 1.04 -1.26 -4.89 113.70 103.54 2bwg s SER 288 Ca -0.02 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.27 2bwg s SER 288 Cb 0.11 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2bwg s SER 288 CO 0.48 -0.41 1.17 -1.83 0.98 0.00 0.00 173.24 173.64 2bwg s GLU 289 N -3.06 3.77 0.84 4.02 1.03 -1.26 -4.52 118.70 119.51 2bwg s GLU 289 Ca 0.03 0.73 -0.12 0.00 0.03 0.00 0.00 54.97 55.64 2bwg s GLU 289 Cb 0.00 -3.90 0.10 0.00 -0.80 0.00 0.00 34.13 29.53 2bwg s GLU 289 CO -0.04 -1.32 1.15 0.20 -1.33 0.00 0.00 175.26 173.92 2bwg s GLY 290 N 2.55 1.59 0.66 -3.83 0.00 -1.22 -4.59 107.32 102.48 2bwg s GLY 290 Ca 0.50 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.53 2bwg s GLY 290 CO 0.29 -0.06 1.07 0.54 0.00 0.00 0.00 173.10 174.94 2bwg s LYS 291 N -5.43 2.98 -0.20 2.90 1.02 0.18 -4.28 119.74 116.90 2bwg s LYS 291 Ca 0.62 1.14 -0.02 0.00 0.02 0.00 0.00 55.97 57.74 2bwg s LYS 291 Cb -0.13 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2bwg s LYS 291 CO 0.51 -1.08 -0.10 0.99 -0.92 0.00 0.00 175.35 174.75 2bwg s THR 292 N -2.69 2.90 0.13 2.17 2.01 -1.26 -0.24 115.64 118.66 2bwg s THR 292 Ca 0.62 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2bwg s THR 292 Cb -0.16 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2bwg s THR 292 CO 0.46 0.47 -0.18 0.68 -0.69 0.00 0.00 174.62 175.35 2bwg s VAL 293 N 1.40 1.67 -0.26 3.82 -7.23 0.14 -4.99 120.40 114.94 2bwg s VAL 293 Ca 0.05 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 2bwg s VAL 293 Cb -0.14 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2bwg s VAL 293 CO -0.07 -0.24 0.43 -1.83 -0.31 0.00 0.00 175.10 173.09 2bwg s GLU 294 N -2.41 4.04 -0.03 4.82 -1.05 -1.26 0.20 118.70 123.01 2bwg s GLU 294 Ca 0.10 0.16 -0.00 0.00 -0.15 0.00 0.00 54.97 55.08 2bwg s GLU 294 Cb -0.07 -3.65 -0.04 0.00 -0.44 0.00 0.00 34.13 29.93 2bwg s GLU 294 CO 0.05 -0.30 0.03 0.54 0.95 0.00 0.00 175.26 176.52 2bwg s VAL 295 N 2.16 4.40 0.21 1.83 0.11 0.26 -4.94 120.40 124.43 2bwg s VAL 295 Ca 0.18 -0.41 -0.32 0.00 -2.93 0.00 0.00 61.98 58.49 2bwg s VAL 295 Cb -0.16 -2.94 -0.14 0.00 -1.53 0.00 0.00 36.38 31.61 2bwg s VAL 295 CO 0.10 0.45 1.35 -2.65 -3.33 0.00 0.00 175.10 171.01 2bwg n PRO 296 N 1.59 1.74 -1.85 1.54 -0.02 -1.26 -0.94 135.00 135.80 2bwg n PRO 296 Ca -0.16 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 2bwg n PRO 296 Cb 0.53 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2bwg n PRO 296 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2bwg s TYR 297 N 0.01 1.61 -0.52 6.00 5.04 0.43 -4.71 117.35 125.21 2bwg s TYR 297 Ca 0.71 0.21 0.24 0.00 -2.44 0.00 0.00 57.07 55.79 2bwg s TYR 297 Cb -0.73 -4.04 0.23 0.00 0.35 0.00 0.00 41.96 37.78 2bwg s TYR 297 CO 0.49 -4.09 1.24 0.87 -1.34 0.00 0.00 175.55 172.72 2bwg h LYS 298 N 11.67 0.00 0.00 4.97 6.56 -1.35 -3.48 116.57 134.94 2bwg h LYS 298 Ca -0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2bwg h LYS 298 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2bwg h LYS 298 CO 0.97 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.77 2bwg n GLY 299 N 1.29 -0.02 3.76 3.86 0.00 -1.25 -4.94 105.19 107.88 2bwg n GLY 299 Ca 0.02 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 2bwg n GLY 299 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwg s ASP 300 N -4.00 7.18 0.52 1.61 1.01 -1.26 -0.24 116.67 121.48 2bwg s ASP 300 Ca 0.00 2.35 0.32 0.00 0.71 0.00 0.00 52.55 55.92 2bwg s ASP 300 Cb 0.00 -2.63 1.20 0.00 1.01 0.00 0.00 42.92 42.50 2bwg s ASP 300 CO 0.00 -0.22 1.92 1.62 0.21 0.00 0.00 175.17 178.70 2bwg h VAL 301 N 3.08 0.00 -0.48 -1.27 3.04 -1.94 -3.15 116.25 115.53 2bwg h VAL 301 Ca -0.47 -0.57 0.10 0.00 -1.01 0.00 0.00 66.70 64.75 2bwg h VAL 301 Cb 1.21 1.56 -0.10 0.00 -2.01 0.00 0.00 31.29 31.95 2bwg h VAL 301 CO 0.67 0.00 -0.25 -0.08 -1.01 0.00 0.00 177.57 176.90 2bwg h GLU 302 N 0.00 -0.14 -0.64 4.17 4.57 -1.98 -0.18 114.58 120.38 2bwg h GLU 302 Ca 0.00 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2bwg h GLU 302 Cb 0.58 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 2bwg h GLU 302 CO 0.00 -0.09 0.40 -0.91 -1.18 0.00 0.00 179.01 177.23 2bwg h ASN 303 N -0.14 0.66 -0.45 1.04 -0.26 -1.97 -1.22 115.58 113.24 2bwg h ASN 303 Ca 0.22 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 2bwg h ASN 303 Cb 0.49 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 2bwg h ASN 303 CO -0.56 0.46 0.25 0.74 -1.06 0.00 0.00 177.43 177.26 2bwg h THR 304 N 0.79 1.16 -0.61 2.81 2.02 -1.56 -1.54 112.91 115.98 2bwg h THR 304 Ca 0.25 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 67.09 2bwg h THR 304 Cb -0.00 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2bwg h THR 304 CO -0.09 0.17 0.32 0.40 0.37 0.00 0.00 175.52 176.68 2bwg h ILE 305 N 0.59 0.95 -0.34 3.11 2.04 -0.56 -1.48 117.51 121.83 2bwg h ILE 305 Ca 0.16 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2bwg h ILE 305 Cb 0.04 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2bwg h ILE 305 CO -0.03 0.11 -0.07 -0.07 0.00 0.00 0.00 178.15 178.09 2bwg h LEU 306 N 0.60 0.53 -0.48 1.44 3.38 -0.92 -0.55 115.31 119.31 2bwg h LEU 306 Ca 0.27 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2bwg h LEU 306 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2bwg h LEU 306 CO -0.18 0.65 -0.10 0.44 0.09 0.00 0.00 178.44 179.34 2bwg h ASP 307 N 0.52 0.92 0.06 -0.43 3.32 -0.87 -0.06 116.42 119.87 2bwg h ASP 307 Ca 0.10 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 2bwg h ASP 307 Cb 0.45 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2bwg h ASP 307 CO 0.02 1.06 -0.03 0.40 -1.72 0.00 0.00 179.24 178.97 2bwg h ILE 308 N 0.76 1.24 -0.35 0.35 2.04 -0.84 -1.52 117.51 119.19 2bwg h ILE 308 Ca 0.12 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2bwg h ILE 308 Cb 0.65 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2bwg h ILE 308 CO 0.04 0.26 0.18 -0.07 0.00 0.00 0.00 178.15 178.57 2bwg h LEU 309 N -0.55 0.45 -0.51 1.44 3.38 -1.19 -1.78 115.31 116.55 2bwg h LEU 309 Ca -0.01 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2bwg h LEU 309 Cb 0.49 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2bwg h LEU 309 CO 0.01 0.43 0.25 1.23 0.09 0.00 0.00 178.44 180.45 2bwg h GLY 310 N 0.44 0.71 1.79 0.83 0.00 -1.02 0.10 103.07 105.91 2bwg h GLY 310 Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 2bwg h GLY 310 CO -0.02 0.11 -0.32 -1.33 0.00 0.00 0.00 176.54 174.99 2bwg h GLY 311 N 0.50 0.26 1.85 4.60 0.00 -1.15 -1.55 103.07 107.58 2bwg h GLY 311 Ca 0.22 -0.22 -0.21 0.00 0.00 0.00 0.00 47.33 47.13 2bwg h GLY 311 CO -0.16 0.20 -0.94 -2.00 0.00 0.00 0.00 176.54 173.64 2bwg h LEU 312 N 0.21 0.17 -0.46 3.11 5.85 -0.92 -1.05 115.31 122.23 2bwg h LEU 312 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2bwg h LEU 312 Cb 0.67 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2bwg h LEU 312 CO 0.05 1.02 0.04 0.03 -0.34 0.00 0.00 178.44 179.24 2bwg h ARG 313 N 0.06 0.78 -0.10 1.25 3.08 -0.81 -2.17 114.38 116.46 2bwg h ARG 313 Ca -0.04 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2bwg h ARG 313 Cb 1.61 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 2bwg h ARG 313 CO 0.14 0.81 0.05 0.77 -1.07 0.00 0.00 179.97 180.67 2bwg h SER 314 N 0.63 0.08 -0.51 7.04 0.02 -1.17 -0.56 113.55 119.10 2bwg h SER 314 Ca 0.13 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2bwg h SER 314 Cb 0.43 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.86 2bwg h SER 314 CO 0.01 0.07 -0.18 0.74 -1.14 0.00 0.00 176.83 176.33 2bwg h THR 315 N 0.12 0.41 -0.58 -2.27 2.02 -1.14 -0.03 112.91 111.43 2bwg h THR 315 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2bwg h THR 315 Cb 0.00 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2bwg h THR 315 CO -0.02 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.03 2bwg h THR 317 N 0.82 0.82 0.00 0.00 2.02 -0.55 0.71 112.91 116.72 2bwg h THR 317 Ca 0.18 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2bwg h THR 317 Cb 0.31 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2bwg h THR 317 CO -0.00 0.07 -0.24 1.88 0.37 0.00 0.00 175.52 177.60 2bwg h TYR 318 N 0.41 0.00 -0.01 3.16 0.05 -0.20 -2.80 116.97 117.57 2bwg h TYR 318 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 2bwg h TYR 318 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2bwg h TYR 318 CO -0.16 0.24 -0.48 1.33 -1.05 0.00 0.00 178.16 178.05 2bwg n VAL 319 N -3.32 0.00 -0.79 -2.88 0.24 -0.81 -0.01 118.33 110.77 2bwg n VAL 319 Ca 0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2bwg n VAL 319 Cb 0.49 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2bwg n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bwg n GLY 320 N 1.33 1.22 3.37 7.63 0.00 -0.50 -4.47 105.19 113.78 2bwg n GLY 320 Ca 0.08 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2bwg n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bwg s ALA 321 N -2.00 3.28 -0.20 4.61 0.00 0.23 -4.94 121.76 122.76 2bwg s ALA 321 Ca 0.00 -1.76 0.26 0.00 0.00 0.00 0.00 51.96 50.46 2bwg s ALA 321 Cb 0.00 -2.61 0.70 0.00 0.00 0.00 0.00 23.12 21.21 2bwg s ALA 321 CO 0.00 -1.42 1.74 0.00 0.00 0.00 0.00 175.76 176.08 2bwg h ALA 322 N 8.44 0.98 -3.55 0.00 0.00 -1.95 -3.35 119.26 119.82 2bwg h ALA 322 Ca -0.25 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.24 2bwg h ALA 322 Cb 1.10 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 2bwg h ALA 322 CO 0.68 0.07 -0.77 0.15 0.00 0.00 0.00 179.25 179.38 2bwg s LYS 323 N -3.38 0.70 0.52 0.00 1.02 -1.26 -1.32 119.74 116.02 2bwg s LYS 323 Ca 0.04 -0.67 0.26 0.00 0.02 0.00 0.00 55.97 55.62 2bwg s LYS 323 Cb 0.07 -0.62 1.38 0.00 -0.52 0.00 0.00 37.83 38.14 2bwg s LYS 323 CO 0.63 0.15 1.97 1.25 -0.92 0.00 0.00 175.35 178.43 2bwg h LEU 324 N 4.93 0.03 -0.87 3.17 5.85 -1.45 -0.00 115.31 126.97 2bwg h LEU 324 Ca -0.36 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.53 2bwg h LEU 324 Cb 1.19 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 2bwg h LEU 324 CO 0.44 0.02 0.44 0.11 -0.34 0.00 0.00 178.44 179.10 2bwg h LYS 325 N 0.04 0.57 0.00 1.25 6.56 -1.85 -2.61 116.57 120.53 2bwg h LYS 325 Ca 0.29 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 2bwg h LYS 325 Cb 1.12 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 2bwg h LYS 325 CO -0.01 0.38 0.00 0.39 -2.06 0.00 0.00 179.45 178.14 2bwg n GLU 326 N -4.90 0.12 0.24 3.15 1.02 -0.02 -4.19 120.64 116.06 2bwg n GLU 326 Ca 0.19 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.38 2bwg n GLU 326 Cb 0.49 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 2bwg n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2bwg h LEU 327 N 0.00 -1.37 -1.10 -4.62 6.46 -1.54 -1.67 115.31 111.47 2bwg h LEU 327 Ca 0.00 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2bwg h LEU 327 Cb 0.46 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 2bwg h LEU 327 CO 0.00 -0.62 0.35 0.77 -0.62 0.00 0.00 178.44 178.32 2bwg h SER 328 N -0.90 0.88 -0.84 1.25 4.64 -1.73 0.53 113.55 117.39 2bwg h SER 328 Ca -0.04 -0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.28 2bwg h SER 328 Cb 0.82 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 2bwg h SER 328 CO -0.12 0.74 0.54 0.03 -0.87 0.00 0.00 176.83 177.15 2bwg h ARG 329 N 0.98 0.81 -0.20 4.77 -0.00 -1.71 -2.95 114.38 116.09 2bwg h ARG 329 Ca 0.24 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 2bwg h ARG 329 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 29.97 29.86 2bwg h ARG 329 CO -0.03 0.54 0.00 0.54 0.00 0.00 0.00 179.97 181.01 2bwg n ARG 330 N -4.51 1.83 -2.59 0.04 1.74 0.28 -4.92 116.66 108.53 2bwg n ARG 330 Ca 0.14 -1.78 -0.43 0.00 -0.77 0.00 0.00 57.85 55.01 2bwg n ARG 330 Cb 0.29 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 2bwg n ARG 330 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bwg s ALA 331 N -1.24 3.61 -0.12 7.54 0.00 0.16 -4.93 121.76 126.78 2bwg s ALA 331 Ca 0.25 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.40 2bwg s ALA 331 Cb 0.15 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2bwg s ALA 331 CO 0.22 -1.23 -0.21 0.99 0.00 0.00 0.00 175.76 175.52 2bwg s THR 332 N 3.46 1.94 0.05 0.00 2.01 -1.26 -4.97 115.64 116.86 2bwg s THR 332 Ca 0.47 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 2bwg s THR 332 Cb -0.16 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2bwg s THR 332 CO 0.11 0.53 0.32 -0.36 -0.69 0.00 0.00 174.62 174.53 2bwg s PHE 333 N 0.73 3.57 -0.01 4.92 0.08 -1.26 -1.43 117.98 124.58 2bwg s PHE 333 Ca -0.10 0.63 0.04 0.00 0.12 0.00 0.00 56.93 57.62 2bwg s PHE 333 Cb -0.16 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2bwg s PHE 333 CO 0.01 0.57 -0.11 0.96 -0.10 0.00 0.00 175.22 176.54 2bwg s ILE 334 N -1.37 3.29 0.06 0.64 -4.36 0.28 -4.92 121.20 114.82 2bwg s ILE 334 Ca 0.31 -0.83 -0.28 0.00 -0.26 0.00 0.00 60.65 59.58 2bwg s ILE 334 Cb -0.13 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 2bwg s ILE 334 CO 0.18 0.45 0.89 -0.13 0.24 0.00 0.00 174.94 176.57 2bwg s ARG 335 N -1.19 4.60 0.40 0.37 3.00 -1.26 -1.43 118.95 123.44 2bwg s ARG 335 Ca 0.15 1.31 0.04 0.00 0.00 0.00 0.00 55.73 57.22 2bwg s ARG 335 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.41 2bwg s ARG 335 CO 0.05 0.18 0.06 0.14 0.00 0.00 0.00 175.30 175.73 2bwg s VAL 336 N 0.20 1.11 -2.10 3.52 -7.23 -0.05 -4.95 120.40 110.91 2bwg s VAL 336 Ca 0.45 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.79 2bwg s VAL 336 Cb -0.22 -2.56 0.13 0.00 0.56 0.00 0.00 36.38 34.30 2bwg s VAL 336 CO 0.27 0.00 1.03 0.35 -0.31 0.00 0.00 175.10 176.44