#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pug h ILE 4 N 0.00 1.18 -0.88 1.09 2.10 -2.00 0.17 117.51 119.18 2pug h ILE 4 Ca 0.00 -0.47 0.09 0.00 1.08 0.00 0.00 64.86 65.56 2pug h ILE 4 Cb 0.00 0.39 -0.07 0.00 -1.09 0.00 0.00 36.82 36.05 2pug h ILE 4 CO 0.00 0.21 0.52 0.50 -1.08 0.00 0.00 178.15 178.30 2pug h LYS 5 N 0.83 0.86 0.00 2.19 3.64 -1.99 0.37 116.57 122.46 2pug h LYS 5 Ca 0.21 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2pug h LYS 5 Cb 0.04 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2pug h LYS 5 CO -0.03 0.57 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.06 2pug h ASP 6 N 0.88 0.00 0.19 4.20 3.32 -1.15 -2.55 116.42 121.32 2pug h ASP 6 Ca 0.42 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.18 2pug h ASP 6 Cb 0.34 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.92 2pug h ASP 6 CO -0.23 0.21 -1.29 0.58 -1.72 0.00 0.00 179.24 176.79 2pug h VAL 7 N 0.00 1.29 -0.81 -1.35 2.07 -0.19 -2.97 116.25 114.29 2pug h VAL 7 Ca -0.00 -2.59 0.11 0.00 0.82 0.00 0.00 66.70 65.04 2pug h VAL 7 Cb 0.57 3.03 -0.08 0.00 -1.52 0.00 0.00 31.29 33.29 2pug h VAL 7 CO 0.03 0.77 0.44 0.00 0.02 0.00 0.00 177.57 178.83 2pug h ALA 8 N 0.10 1.16 -0.11 1.67 0.00 -0.93 -0.89 119.26 120.25 2pug h ALA 8 Ca -0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2pug h ALA 8 Cb 1.94 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2pug h ALA 8 CO 0.20 0.02 0.01 -0.22 0.00 0.00 0.00 179.25 179.25 2pug h LYS 9 N 0.71 0.18 0.00 0.00 3.64 -1.54 0.44 116.57 120.00 2pug h LYS 9 Ca 0.40 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2pug h LYS 9 Cb 0.44 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2pug h LYS 9 CO -0.28 0.40 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.18 2pug h ARG 10 N -0.07 0.00 -0.02 1.90 2.43 -1.25 -1.35 114.38 116.02 2pug h ARG 10 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2pug h ARG 10 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2pug h ARG 10 CO 0.00 0.03 -0.22 0.00 -1.51 0.00 0.00 179.97 178.27 2pug n ALA 11 N -2.44 2.96 -3.61 2.80 0.00 -0.39 -4.93 120.51 114.90 2pug n ALA 11 Ca -0.03 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.54 2pug n ALA 11 Cb 0.11 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 18.83 2pug n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pug n ASN 12 N 0.62 -5.63 -3.63 0.00 0.23 0.14 -4.91 115.26 102.08 2pug n ASN 12 Ca 0.11 -0.80 -0.09 0.00 -0.53 0.00 0.00 54.58 53.27 2pug n ASN 12 Cb 0.50 -3.01 -0.02 0.00 -2.08 0.00 0.00 39.78 35.17 2pug n ASN 12 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2pug s VAL 13 N -3.17 0.00 0.49 3.53 -7.23 -0.12 -5.02 120.40 108.88 2pug s VAL 13 Ca 0.17 -1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2pug s VAL 13 Cb -0.07 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2pug s VAL 13 CO 0.86 0.00 0.83 -0.94 -0.31 0.00 0.00 175.10 175.54 2pug s SER 14 N -3.01 6.33 0.43 4.85 1.04 -1.26 -4.29 113.70 117.78 2pug s SER 14 Ca 0.17 1.07 0.12 0.00 0.48 0.00 0.00 55.95 57.80 2pug s SER 14 Cb -0.04 -2.31 0.93 0.00 0.10 0.00 0.00 66.02 64.70 2pug s SER 14 CO 0.10 -0.58 1.98 0.71 0.98 0.00 0.00 173.24 176.43 2pug h THR 15 N 0.37 1.14 -0.33 2.02 1.35 -1.91 0.30 112.91 115.84 2pug h THR 15 Ca -0.46 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 64.85 2pug h THR 15 Cb 1.20 1.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.77 2pug h THR 15 CO 0.62 0.18 0.06 0.74 -0.25 0.00 0.00 175.52 176.87 2pug h THR 16 N 0.13 0.83 0.45 6.82 2.02 -1.98 0.46 112.91 121.64 2pug h THR 16 Ca 0.03 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2pug h THR 16 Cb 0.29 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2pug h THR 16 CO 0.02 0.03 -0.28 0.74 0.37 0.00 0.00 175.52 176.40 2pug h THR 17 N 0.17 0.43 -0.79 3.16 2.02 -1.39 0.50 112.91 117.01 2pug h THR 17 Ca 0.16 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.52 2pug h THR 17 Cb 0.18 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 66.89 2pug h THR 17 CO -0.21 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.38 2pug h VAL 18 N -0.70 0.38 0.45 3.16 2.07 -0.29 0.13 116.25 121.44 2pug h VAL 18 Ca -0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2pug h VAL 18 Cb 0.57 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2pug h VAL 18 CO 0.05 0.03 -0.22 -1.28 0.02 0.00 0.00 177.57 176.18 2pug h SER 19 N 0.18 -0.52 -0.95 0.57 0.87 0.54 -1.82 113.55 112.42 2pug h SER 19 Ca 0.46 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 61.22 2pug h SER 19 Cb 0.84 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 62.82 2pug h SER 19 CO -0.62 -0.35 0.53 0.45 -0.53 0.00 0.00 176.83 176.31 2pug h HIS 20 N -0.64 0.91 -0.15 2.24 -0.00 0.14 0.24 115.15 117.90 2pug h HIS 20 Ca -0.06 0.04 -0.22 0.00 -0.00 0.00 0.00 60.37 60.13 2pug h HIS 20 Cb 0.48 -0.26 0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2pug h HIS 20 CO -0.04 0.13 -0.77 -0.39 -0.00 0.00 0.00 177.93 176.86 2pug h VAL 21 N 0.62 1.29 -0.69 2.45 -1.51 -1.03 0.47 116.25 117.85 2pug h VAL 21 Ca 0.57 -1.99 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 2pug h VAL 21 Cb 0.95 1.99 -0.03 0.00 -2.13 0.00 0.00 31.29 32.07 2pug h VAL 21 CO -0.43 0.63 0.29 0.40 -1.23 0.00 0.00 177.57 177.23 2pug h ILE 22 N 0.51 1.23 -0.34 7.19 2.04 -0.35 -3.00 117.51 124.78 2pug h ILE 22 Ca -0.05 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2pug h ILE 22 Cb 1.39 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2pug h ILE 22 CO 0.16 0.29 0.00 0.59 0.00 0.00 0.00 178.15 179.18 2pug n ASN 23 N -4.31 3.10 -4.19 1.72 5.03 -0.05 -4.96 115.26 111.60 2pug n ASN 23 Ca 0.06 -1.90 -0.35 0.00 0.87 0.00 0.00 54.58 53.26 2pug n ASN 23 Cb 0.16 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.67 2pug n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pug n LYS 24 N 1.10 -3.24 0.00 3.52 5.02 0.16 -4.82 118.16 119.89 2pug n LYS 24 Ca 0.15 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 2pug n LYS 24 Cb 0.50 -5.06 0.38 0.00 -0.02 0.00 0.00 35.03 30.84 2pug n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2pug n THR 25 N -4.40 0.00 -3.54 -0.18 5.66 -0.69 -4.93 114.28 106.20 2pug n THR 25 Ca 0.04 -0.04 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 2pug n THR 25 Cb 0.51 0.13 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 2pug n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pug s ARG 26 N -2.80 0.68 0.34 1.09 1.70 -1.26 -5.09 118.95 113.62 2pug s ARG 26 Ca 0.17 -0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 2pug s ARG 26 Cb 0.18 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.77 2pug s ARG 26 CO 0.60 -0.27 1.47 0.12 -1.08 0.00 0.00 175.30 176.14 2pug s PHE 27 N -2.36 2.72 0.01 5.89 2.19 -1.26 -4.75 117.98 120.42 2pug s PHE 27 Ca 0.03 1.13 0.01 0.00 0.33 0.00 0.00 56.93 58.43 2pug s PHE 27 Cb -0.01 -3.96 -0.01 0.00 -1.31 0.00 0.00 43.02 37.73 2pug s PHE 27 CO -0.05 -2.89 -0.03 0.08 1.83 0.00 0.00 175.22 174.16 2pug s VAL 28 N -0.84 0.20 0.48 3.12 1.01 -1.26 -5.08 120.40 118.03 2pug s VAL 28 Ca 0.54 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2pug s VAL 28 Cb -0.45 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 2pug s VAL 28 CO 0.57 -0.10 0.98 0.00 0.00 0.00 0.00 175.10 176.55 2pug n ALA 29 N 2.59 0.15 0.48 5.51 0.00 -1.26 -4.69 120.51 123.29 2pug n ALA 29 Ca -0.16 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 2pug n ALA 29 Cb 0.58 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 2pug n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pug h GLU 30 N 1.21 -1.16 -1.00 0.00 4.81 -2.00 0.48 114.58 116.92 2pug h GLU 30 Ca -0.46 0.08 0.30 0.00 -0.13 0.00 0.00 59.36 59.15 2pug h GLU 30 Cb 1.35 0.26 -0.19 0.00 0.63 0.00 0.00 28.75 30.80 2pug h GLU 30 CO 0.55 -0.77 0.10 -1.91 -0.73 0.00 0.00 179.01 176.24 2pug n GLU 31 N -5.59 -0.08 0.14 1.92 2.13 -1.26 0.62 120.64 118.52 2pug n GLU 31 Ca -0.16 1.48 -0.13 0.00 0.66 0.00 0.00 57.16 59.01 2pug n GLU 31 Cb 0.48 -2.39 -0.08 0.00 0.27 0.00 0.00 31.44 29.72 2pug n GLU 31 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2pug h THR 32 N 0.00 0.73 -0.67 6.31 2.02 -1.80 -2.12 112.91 117.37 2pug h THR 32 Ca 0.64 -0.65 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2pug h THR 32 Cb 1.40 1.06 -0.12 0.00 -1.74 0.00 0.00 68.15 68.75 2pug h THR 32 CO -0.91 0.13 -0.04 -0.09 0.37 0.00 0.00 175.52 174.97 2pug h ARG 33 N -0.75 0.08 0.57 6.66 2.43 0.47 -1.19 114.38 122.64 2pug h ARG 33 Ca -0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2pug h ARG 33 Cb 0.50 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2pug h ARG 33 CO 0.06 0.05 -0.44 -0.91 -1.51 0.00 0.00 179.97 177.23 2pug h ASN 34 N 0.08 -1.16 -0.88 -3.80 -0.26 0.25 -1.57 115.58 108.25 2pug h ASN 34 Ca 0.35 0.08 0.23 0.00 -0.56 0.00 0.00 56.30 56.40 2pug h ASN 34 Cb 0.58 0.36 -0.15 0.00 -1.06 0.00 0.00 38.32 38.05 2pug h ASN 34 CO -0.61 -0.62 0.07 0.00 -1.06 0.00 0.00 177.43 175.21 2pug h ALA 35 N -1.14 1.07 0.00 -0.83 0.00 -0.67 0.52 119.26 118.20 2pug h ALA 35 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2pug h ALA 35 Cb 0.81 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pug h ALA 35 CO 0.02 -0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.03 2pug h VAL 36 N 0.09 0.94 -0.78 0.00 2.07 -0.89 0.98 116.25 118.67 2pug h VAL 36 Ca 0.52 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.07 2pug h VAL 36 Cb 1.03 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 2pug h VAL 36 CO -0.77 0.00 0.51 -0.50 0.02 0.00 0.00 177.57 176.83 2pug h TRP 37 N -0.04 0.96 0.06 1.57 -0.00 0.38 0.53 115.95 119.41 2pug h TRP 37 Ca 0.01 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 2pug h TRP 37 Cb 0.05 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 28.84 2pug h TRP 37 CO -0.10 0.57 -0.48 0.00 -0.00 0.00 0.00 178.44 178.44 2pug h ALA 38 N 1.31 -0.93 -0.36 1.49 0.00 0.72 0.22 119.26 121.70 2pug h ALA 38 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2pug h ALA 38 Cb -0.04 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2pug h ALA 38 CO -0.09 -1.06 0.13 0.00 0.00 0.00 0.00 179.25 178.22 2pug h ALA 39 N -0.60 0.42 -1.03 0.00 0.00 -0.44 -1.50 119.26 116.11 2pug h ALA 39 Ca 0.00 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.23 2pug h ALA 39 Cb 0.67 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2pug h ALA 39 CO -0.29 -0.27 0.63 0.82 0.00 0.00 0.00 179.25 180.15 2pug h ILE 40 N 0.28 0.48 0.00 0.00 1.08 0.12 -0.31 117.51 119.16 2pug h ILE 40 Ca 0.16 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2pug h ILE 40 Cb 0.14 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2pug h ILE 40 CO -0.16 0.08 -0.00 0.11 -0.69 0.00 0.00 178.15 177.49 2pug h LYS 41 N 0.46 -0.00 -0.03 2.37 6.56 0.38 0.20 116.57 126.50 2pug h LYS 41 Ca 0.65 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.27 2pug h LYS 41 Cb 1.46 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 33.08 2pug h LYS 41 CO -0.43 0.80 -0.16 0.93 -2.06 0.00 0.00 179.45 178.52 2pug h GLU 42 N -0.98 -0.25 0.00 3.15 5.08 -0.83 0.48 114.58 121.23 2pug h GLU 42 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2pug h GLU 42 Cb 0.81 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2pug h GLU 42 CO 0.00 -0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.13 2pug n LEU 43 N -5.30 0.20 -3.07 1.33 7.99 -0.18 -4.83 117.00 113.14 2pug n LEU 43 Ca -0.05 0.58 -0.01 0.00 -0.01 0.00 0.00 56.01 56.53 2pug n LEU 43 Cb 0.22 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.94 2pug n LEU 43 CO 0.24 -0.57 0.34 1.41 -1.51 0.00 0.00 177.39 177.30 2pug n HIS 44 N -1.75 -2.97 -3.44 -1.77 8.25 0.17 -4.93 115.22 108.78 2pug n HIS 44 Ca 0.00 1.13 -0.38 0.00 -0.26 0.00 0.00 57.72 58.22 2pug n HIS 44 Cb 0.06 -4.11 -0.06 0.00 1.12 0.00 0.00 29.99 27.00 2pug n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2pug s TYR 45 N -3.01 3.68 -0.24 4.41 5.04 0.68 -5.02 117.35 122.89 2pug s TYR 45 Ca 0.01 0.98 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2pug s TYR 45 Cb -0.00 -2.37 0.08 0.00 0.35 0.00 0.00 41.96 40.01 2pug s TYR 45 CO 0.75 0.52 0.08 0.45 -1.34 0.00 0.00 175.55 176.00 2pug s SER 46 N -0.64 3.23 0.25 4.32 0.15 -1.26 -4.96 113.70 114.79 2pug s SER 46 Ca 0.24 -1.08 -0.31 0.00 0.70 0.00 0.00 55.95 55.50 2pug s SER 46 Cb -0.16 -0.56 -0.13 0.00 -1.71 0.00 0.00 66.02 63.45 2pug s SER 46 CO 0.13 -0.37 1.50 -2.65 1.20 0.00 0.00 173.24 173.06 2pug n PRO 47 N 5.07 2.30 -2.54 5.44 -0.01 -1.26 -4.91 135.00 139.09 2pug n PRO 47 Ca -0.06 0.82 -0.43 0.00 -0.01 0.00 0.00 63.50 63.82 2pug n PRO 47 Cb 0.45 -2.54 -0.02 0.00 -0.01 0.00 0.00 33.50 31.38 2pug n PRO 47 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 2pug s SER 48 N 0.47 6.87 0.13 2.55 1.04 -1.26 -4.92 113.70 118.58 2pug s SER 48 Ca 0.68 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 58.22 2pug s SER 48 Cb -0.60 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 62.98 2pug s SER 48 CO 0.47 -0.90 1.64 0.00 0.98 0.00 0.00 173.24 175.43 2pug h ALA 49 N 8.41 0.57 -0.81 5.32 0.00 -1.99 -2.47 119.26 128.29 2pug h ALA 49 Ca -0.23 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.50 2pug h ALA 49 Cb 1.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2pug h ALA 49 CO 1.02 0.24 0.54 -0.39 0.00 0.00 0.00 179.25 180.66 2pug h VAL 50 N 0.56 1.19 0.64 0.00 -1.51 -1.97 0.70 116.25 115.86 2pug h VAL 50 Ca 0.14 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 65.20 2pug h VAL 50 Cb 0.31 0.02 0.01 0.00 -2.13 0.00 0.00 31.29 29.49 2pug h VAL 50 CO 0.00 0.20 -0.31 0.00 -1.23 0.00 0.00 177.57 176.23 2pug h ALA 51 N 1.50 -0.86 -0.34 5.19 0.00 -1.94 0.42 119.26 123.23 2pug h ALA 51 Ca 0.30 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2pug h ALA 51 Cb -0.09 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2pug h ALA 51 CO -0.07 -0.89 -0.31 -0.09 0.00 0.00 0.00 179.25 177.89 2pug h ARG 52 N -1.04 -0.26 -0.93 0.00 2.43 -1.06 0.17 114.38 113.69 2pug h ARG 52 Ca -0.09 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.27 2pug h ARG 52 Cb 0.70 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.23 2pug h ARG 52 CO 0.14 -0.17 0.60 0.77 -1.51 0.00 0.00 179.97 179.80 2pug h SER 53 N -0.27 0.63 -0.91 -3.80 0.02 0.51 0.82 113.55 110.54 2pug h SER 53 Ca 0.16 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2pug h SER 53 Cb 0.52 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 2pug h SER 53 CO -0.49 0.27 0.61 0.25 -1.14 0.00 0.00 176.83 176.33 2pug h LEU 54 N 0.64 1.05 0.00 5.07 5.85 0.16 0.12 115.31 128.20 2pug h LEU 54 Ca 0.49 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.14 2pug h LEU 54 Cb 0.90 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2pug h LEU 54 CO -0.24 0.76 -0.34 0.11 -0.34 0.00 0.00 178.44 178.39 2pug h LYS 55 N 1.24 0.00 0.00 1.25 1.79 -0.43 -3.37 116.57 117.05 2pug h LYS 55 Ca 0.34 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 2pug h LYS 55 Cb -0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2pug h LYS 55 CO -0.07 0.46 -0.10 -0.39 -1.08 0.00 0.00 179.45 178.27 2pug h VAL 56 N -1.00 0.54 -3.69 0.50 -1.51 -1.13 -3.47 116.25 106.48 2pug h VAL 56 Ca -0.06 -0.47 -0.12 0.00 -1.23 0.00 0.00 66.70 64.81 2pug h VAL 56 Cb 0.62 1.31 0.07 0.00 -2.13 0.00 0.00 31.29 31.17 2pug h VAL 56 CO -0.04 0.10 -0.33 -3.20 -1.23 0.00 0.00 177.57 172.87 2pug n ASN 57 N -3.63 -2.77 -3.57 4.19 5.15 0.42 -5.05 115.26 110.00 2pug n ASN 57 Ca -0.02 -0.27 0.03 0.00 -0.60 0.00 0.00 54.58 53.72 2pug n ASN 57 Cb 0.22 -2.40 -0.06 0.00 -0.53 0.00 0.00 39.78 37.02 2pug n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 2pug s HIS 58 N -3.15 -0.05 -0.46 1.20 -3.43 -1.20 -5.05 115.29 103.15 2pug s HIS 58 Ca 0.08 0.09 0.23 0.00 -0.80 0.00 0.00 55.06 54.66 2pug s HIS 58 Cb -0.01 0.03 0.35 0.00 -1.43 0.00 0.00 32.58 31.52 2pug s HIS 58 CO 0.30 -0.02 1.51 1.79 -2.00 0.00 0.00 174.74 176.32 2pug h THR 59 N 5.01 0.00 -5.95 -5.38 1.35 -1.87 -3.41 112.91 102.66 2pug h THR 59 Ca -0.24 -0.88 -0.41 0.00 -0.55 0.00 0.00 66.41 64.33 2pug h THR 59 Cb 1.15 1.76 0.10 0.00 -1.73 0.00 0.00 68.15 69.43 2pug h THR 59 CO 0.21 0.00 -0.72 1.17 -0.25 0.00 0.00 175.52 175.93 2pug n LYS 60 N -2.82 -7.09 -3.81 4.72 3.00 -1.26 -4.91 118.16 105.99 2pug n LYS 60 Ca 0.03 0.77 -0.12 0.00 -0.00 0.00 0.00 58.31 58.99 2pug n LYS 60 Cb 0.51 -5.75 -0.12 0.00 0.00 0.00 0.00 35.03 29.66 2pug n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2pug s SER 61 N -3.50 -0.18 0.05 3.14 1.04 -1.26 -1.90 113.70 111.09 2pug s SER 61 Ca 0.50 0.35 0.09 0.00 0.48 0.00 0.00 55.95 57.37 2pug s SER 61 Cb -0.23 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2pug s SER 61 CO 0.76 -0.06 -0.23 0.27 0.98 0.00 0.00 173.24 174.96 2pug s ILE 62 N 0.09 2.41 -0.13 -1.02 -5.25 0.17 -1.23 121.20 116.25 2pug s ILE 62 Ca -0.00 -1.34 -0.06 0.00 -0.99 0.00 0.00 60.65 58.26 2pug s ILE 62 Cb -0.01 -1.99 -0.04 0.00 2.95 0.00 0.00 42.46 43.37 2pug s ILE 62 CO 0.00 0.33 0.09 -0.83 -1.79 0.00 0.00 174.94 172.74 2pug s GLY 63 N -1.40 2.02 -0.36 6.27 0.00 -0.92 -0.69 107.32 112.24 2pug s GLY 63 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 2pug s GLY 63 CO 0.04 -0.31 0.11 -2.27 0.00 0.00 0.00 173.10 170.67 2pug s LEU 64 N -0.63 4.60 -1.05 0.66 2.96 0.93 -0.24 118.68 125.90 2pug s LEU 64 Ca 0.12 -1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 52.24 2pug s LEU 64 Cb -0.12 -1.78 0.16 0.00 0.50 0.00 0.00 46.19 44.95 2pug s LEU 64 CO 0.02 -0.40 1.24 -0.22 -1.32 0.00 0.00 176.35 175.67 2pug s LEU 65 N 1.21 5.19 0.51 -0.68 2.96 0.02 -0.52 118.68 127.36 2pug s LEU 65 Ca 0.02 -2.54 0.02 0.00 -0.22 0.00 0.00 54.13 51.41 2pug s LEU 65 Cb -0.21 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2pug s LEU 65 CO -0.02 -0.88 0.72 0.00 -1.32 0.00 0.00 176.35 174.85 2pug s ALA 66 N 1.94 3.94 -0.15 5.97 0.00 0.16 -1.60 121.76 132.02 2pug s ALA 66 Ca 0.36 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 2pug s ALA 66 Cb -0.04 -2.03 -0.22 0.00 0.00 0.00 0.00 23.12 20.83 2pug s ALA 66 CO -0.05 -0.60 0.55 1.15 0.00 0.00 0.00 175.76 176.81 2pug h THR 67 N 0.22 1.40 -2.55 0.00 2.02 -1.31 -0.87 112.91 111.82 2pug h THR 67 Ca -0.43 -2.16 -0.04 0.00 0.77 0.00 0.00 66.41 64.55 2pug h THR 67 Cb 1.28 2.75 -0.15 0.00 -1.74 0.00 0.00 68.15 70.29 2pug h THR 67 CO 0.53 0.47 0.19 -0.55 0.37 0.00 0.00 175.52 176.53 2pug s SER 68 N -6.30 -0.60 0.00 4.18 0.15 -1.26 -1.45 113.70 108.42 2pug s SER 68 Ca -0.20 0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.84 2pug s SER 68 Cb -0.01 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 2pug s SER 68 CO 0.60 -0.80 0.27 -1.54 1.20 0.00 0.00 173.24 172.97 2pug n SER 69 N 0.23 0.31 0.07 5.45 3.41 -1.26 -4.72 113.62 117.11 2pug n SER 69 Ca -0.18 -0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 57.65 2pug n SER 69 Cb 0.61 0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 65.46 2pug n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2pug h GLU 70 N 0.02 -0.20 -6.23 4.33 4.22 -1.98 -3.32 114.58 111.43 2pug h GLU 70 Ca 0.00 0.01 -0.70 0.00 0.08 0.00 0.00 59.36 58.75 2pug h GLU 70 Cb 0.15 0.05 0.05 0.00 0.50 0.00 0.00 28.75 29.49 2pug h GLU 70 CO 0.00 0.18 0.46 0.00 -2.18 0.00 0.00 179.01 177.46 2pug n ALA 71 N -2.43 -1.20 -0.39 2.92 0.00 -1.26 -4.63 120.51 113.51 2pug n ALA 71 Ca -0.09 0.51 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 2pug n ALA 71 Cb 0.25 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2pug n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pug h ALA 72 N 4.64 -0.14 -0.18 0.00 0.00 -1.99 0.25 119.26 121.85 2pug h ALA 72 Ca -0.48 0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2pug h ALA 72 Cb 1.34 1.16 -0.07 0.00 0.00 0.00 0.00 17.79 20.23 2pug h ALA 72 CO 0.78 -0.77 -0.53 -0.92 0.00 0.00 0.00 179.25 177.81 2pug h TYR 73 N -0.01 -1.60 -0.01 0.00 3.20 -1.97 -1.65 116.97 114.93 2pug h TYR 73 Ca 0.27 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.23 2pug h TYR 73 Cb 0.52 0.72 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 2pug h TYR 73 CO -0.93 -0.52 -0.14 0.74 -1.64 0.00 0.00 178.16 175.67 2pug h PHE 74 N -0.54 -0.35 -0.79 -3.82 0.04 -1.51 -2.74 116.94 107.22 2pug h PHE 74 Ca 0.04 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.99 2pug h PHE 74 Cb 0.65 0.16 -0.11 0.00 2.20 0.00 0.00 35.95 38.85 2pug h PHE 74 CO -0.61 -0.20 0.31 0.00 -0.60 0.00 0.00 178.31 177.20 2pug h ALA 75 N 0.74 1.15 -0.09 2.45 0.00 -0.10 0.78 119.26 124.19 2pug h ALA 75 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2pug h ALA 75 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pug h ALA 75 CO -0.15 -0.26 0.03 0.93 0.00 0.00 0.00 179.25 179.81 2pug h GLU 76 N 0.41 0.14 0.03 0.00 5.08 -1.04 -0.28 114.58 118.92 2pug h GLU 76 Ca 0.45 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2pug h GLU 76 Cb 0.75 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2pug h GLU 76 CO -0.46 0.27 -0.34 0.82 -1.00 0.00 0.00 179.01 178.30 2pug h ILE 77 N -0.02 0.28 -0.07 3.13 2.04 -0.96 -1.69 117.51 120.22 2pug h ILE 77 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2pug h ILE 77 Cb 0.18 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2pug h ILE 77 CO -0.00 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 178.15 2pug h ILE 78 N -0.51 0.18 -1.02 -0.67 2.04 -0.73 0.13 117.51 116.93 2pug h ILE 78 Ca 0.05 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.19 2pug h ILE 78 Cb 0.58 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2pug h ILE 78 CO -0.25 0.00 0.70 -0.08 0.00 0.00 0.00 178.15 178.52 2pug h GLU 79 N -0.51 0.17 0.16 2.37 4.81 -0.67 0.21 114.58 121.12 2pug h GLU 79 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2pug h GLU 79 Cb 0.62 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2pug h GLU 79 CO -0.35 0.11 -0.07 0.00 -0.73 0.00 0.00 179.01 177.97 2pug h ALA 80 N 1.54 -0.21 0.30 2.92 0.00 0.13 -1.57 119.26 122.37 2pug h ALA 80 Ca 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pug h ALA 80 Cb 1.72 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2pug h ALA 80 CO -0.12 -0.45 -0.45 0.28 0.00 0.00 0.00 179.25 178.50 2pug h VAL 81 N -0.53 0.11 -0.83 0.00 2.07 0.52 -2.10 116.25 115.47 2pug h VAL 81 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 2pug h VAL 81 Cb 0.41 0.11 -0.14 0.00 -1.52 0.00 0.00 31.29 30.15 2pug h VAL 81 CO 0.04 0.00 0.17 1.05 0.02 0.00 0.00 177.57 178.84 2pug h GLU 82 N -0.81 0.18 -0.39 1.57 -0.00 -0.96 0.19 114.58 114.37 2pug h GLU 82 Ca -0.02 -0.01 0.07 0.00 -0.00 0.00 0.00 59.36 59.40 2pug h GLU 82 Cb 0.76 -0.04 -0.07 0.00 -0.00 0.00 0.00 28.75 29.40 2pug h GLU 82 CO -0.15 0.12 -0.03 0.87 -0.00 0.00 0.00 179.01 179.82 2pug h LYS 83 N 0.19 0.07 -0.52 1.06 1.57 -0.62 -1.61 116.57 116.72 2pug h LYS 83 Ca 0.50 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.21 2pug h LYS 83 Cb 0.96 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2pug h LYS 83 CO -0.64 0.05 0.07 -0.91 -0.57 0.00 0.00 179.45 177.44 2pug h ASN 84 N 0.07 0.84 -0.19 0.86 2.35 -0.60 -2.31 115.58 116.61 2pug h ASN 84 Ca 0.19 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2pug h ASN 84 Cb 0.28 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2pug h ASN 84 CO -0.34 0.89 -0.12 0.00 -1.65 0.00 0.00 177.43 176.20 2pug h PHE 86 N -0.12 1.07 0.00 0.00 3.57 -1.12 0.25 116.94 120.58 2pug h PHE 86 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2pug h PHE 86 Cb 0.29 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2pug h PHE 86 CO -0.27 0.68 0.00 -0.56 -2.23 0.00 0.00 178.31 175.93 2pug h GLN 87 N 1.14 0.00 -0.29 1.11 -0.00 -1.08 -2.50 115.11 113.49 2pug h GLN 87 Ca 0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.93 2pug h GLN 87 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.35 2pug h GLN 87 CO -0.06 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.40 2pug n LYS 88 N -2.54 2.91 -0.95 0.06 4.76 -0.79 -4.98 118.16 116.64 2pug n LYS 88 Ca 0.03 -2.89 0.00 0.00 -2.87 0.00 0.00 58.31 52.57 2pug n LYS 88 Cb 0.32 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2pug n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pug n GLY 89 N -0.52 0.19 3.87 0.72 0.00 -0.55 -5.01 105.19 103.88 2pug n GLY 89 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2pug n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pug s TYR 90 N -1.43 3.48 -0.16 1.61 1.51 0.76 -4.92 117.35 118.21 2pug s TYR 90 Ca 0.00 1.11 -0.08 0.00 -1.01 0.00 0.00 57.07 57.09 2pug s TYR 90 Cb 0.00 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 2pug s TYR 90 CO 0.00 -0.17 0.12 0.99 -1.11 0.00 0.00 175.55 175.37 2pug s THR 91 N -2.45 5.32 -0.28 -0.71 2.01 -0.80 -3.80 115.64 114.93 2pug s THR 91 Ca 0.52 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.54 2pug s THR 91 Cb -0.10 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2pug s THR 91 CO 0.32 0.53 0.28 -0.22 -0.69 0.00 0.00 174.62 174.84 2pug s LEU 92 N -0.29 4.08 -0.31 4.42 1.98 -1.26 0.43 118.68 127.73 2pug s LEU 92 Ca 0.11 0.08 -0.09 0.00 -2.89 0.00 0.00 54.13 51.34 2pug s LEU 92 Cb -0.12 -2.26 -0.00 0.00 0.66 0.00 0.00 46.19 44.47 2pug s LEU 92 CO 0.01 -0.14 0.14 -0.63 -1.89 0.00 0.00 176.35 173.84 2pug s ILE 93 N 1.91 4.47 -0.17 6.68 1.01 0.13 -4.99 121.20 130.24 2pug s ILE 93 Ca 0.11 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 2pug s ILE 93 Cb -0.16 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2pug s ILE 93 CO 0.11 0.07 0.16 -0.22 0.00 0.00 0.00 174.94 175.06 2pug s LEU 94 N 1.59 4.27 -0.05 2.97 2.96 -1.26 -0.05 118.68 129.11 2pug s LEU 94 Ca 0.04 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2pug s LEU 94 Cb -0.17 -2.13 0.04 0.00 0.50 0.00 0.00 46.19 44.43 2pug s LEU 94 CO 0.05 0.24 0.11 -0.83 -1.32 0.00 0.00 176.35 174.60 2pug s GLY 95 N -0.06 0.03 -0.22 7.98 0.00 0.32 -4.94 107.32 110.42 2pug s GLY 95 Ca 0.11 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 2pug s GLY 95 CO 0.01 1.00 0.03 -1.31 0.00 0.00 0.00 173.10 172.83 2pug s ASN 96 N 1.32 5.01 0.00 1.64 0.02 -1.26 0.38 114.94 122.06 2pug s ASN 96 Ca -0.07 -0.18 0.23 0.00 -1.02 0.00 0.00 52.86 51.82 2pug s ASN 96 Cb -0.12 -1.88 0.10 0.00 0.02 0.00 0.00 41.25 39.38 2pug s ASN 96 CO -0.05 0.03 1.16 0.00 0.02 0.00 0.00 177.10 178.26 2pug n ALA 97 N 4.48 3.56 -4.02 0.60 0.00 -0.33 -4.98 120.51 119.82 2pug n ALA 97 Ca -0.17 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 2pug n ALA 97 Cb 0.52 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 2pug n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2pug n TRP 98 N -0.21 -1.79 -3.71 0.00 7.02 -0.53 0.27 117.44 118.49 2pug n TRP 98 Ca 0.09 0.73 -0.26 0.00 -1.02 0.00 0.00 57.50 57.04 2pug n TRP 98 Cb 0.44 -2.96 0.06 0.00 -2.42 0.00 0.00 31.31 26.44 2pug n TRP 98 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2pug n ASN 99 N -2.57 -5.72 -4.05 -0.99 5.03 -1.26 -4.97 115.26 100.73 2pug n ASN 99 Ca 0.06 -0.63 -0.32 0.00 0.87 0.00 0.00 54.58 54.57 2pug n ASN 99 Cb 0.50 -4.62 -0.15 0.00 -1.02 0.00 0.00 39.78 34.48 2pug n ASN 99 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2pug s ASN 100 N -3.34 3.90 0.20 6.41 2.47 0.14 -5.02 114.94 119.69 2pug s ASN 100 Ca 0.60 -1.12 -0.22 0.00 0.42 0.00 0.00 52.86 52.54 2pug s ASN 100 Cb -0.28 -1.43 0.12 0.00 -1.45 0.00 0.00 41.25 38.21 2pug s ASN 100 CO 0.77 -0.15 1.56 0.25 -3.72 0.00 0.00 177.10 175.81 2pug h LEU 101 N 7.87 -1.53 0.18 3.21 5.85 -1.93 0.52 115.31 129.47 2pug h LEU 101 Ca -0.26 0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2pug h LEU 101 Cb 1.08 0.74 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 2pug h LEU 101 CO 0.49 -0.30 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.73 2pug h GLU 102 N -0.09 -0.46 -0.94 1.25 4.39 -1.95 0.58 114.58 117.36 2pug h GLU 102 Ca 0.26 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.18 2pug h GLU 102 Cb 0.55 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.23 2pug h GLU 102 CO -0.86 -0.31 0.60 -0.22 -1.16 0.00 0.00 179.01 177.07 2pug h LYS 103 N -0.48 0.55 0.02 2.33 1.63 -1.39 0.12 116.57 119.34 2pug h LYS 103 Ca 0.01 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2pug h LYS 103 Cb 0.47 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2pug h LYS 103 CO -0.10 0.36 -0.01 -0.56 -3.45 0.00 0.00 179.45 175.70 2pug h GLN 104 N 0.56 -0.02 -0.84 1.90 3.07 0.15 -2.23 115.11 117.69 2pug h GLN 104 Ca 0.50 0.00 0.24 0.00 0.09 0.00 0.00 58.65 59.48 2pug h GLN 104 Cb 1.03 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.55 2pug h GLN 104 CO -0.24 0.64 0.60 0.07 0.09 0.00 0.00 178.83 179.98 2pug h ARG 105 N -0.71 0.06 0.35 0.06 0.11 0.13 0.30 114.38 114.68 2pug h ARG 105 Ca -0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2pug h ARG 105 Cb 0.67 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2pug h ARG 105 CO 0.00 0.04 -0.17 0.00 0.10 0.00 0.00 179.97 179.94 2pug h ALA 106 N 1.59 -0.47 -0.80 0.08 0.00 -0.76 -1.74 119.26 117.16 2pug h ALA 106 Ca 0.41 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2pug h ALA 106 Cb 1.53 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 2pug h ALA 106 CO -0.03 -0.44 0.47 1.88 0.00 0.00 0.00 179.25 181.13 2pug h TYR 107 N -1.12 0.87 -0.02 0.00 0.05 -0.81 0.24 116.97 116.17 2pug h TYR 107 Ca -0.05 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.79 2pug h TYR 107 Cb 0.37 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.80 2pug h TYR 107 CO 0.00 0.42 -0.17 1.25 -1.05 0.00 0.00 178.16 178.61 2pug h LEU 108 N 0.85 -0.51 0.14 3.88 5.85 -0.49 0.39 115.31 125.42 2pug h LEU 108 Ca 0.36 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.16 2pug h LEU 108 Cb 0.22 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2pug h LEU 108 CO -0.19 -0.23 -0.13 0.77 -0.34 0.00 0.00 178.44 178.32 2pug h SER 109 N -0.27 -0.33 -0.78 1.25 4.64 -0.28 -0.72 113.55 117.05 2pug h SER 109 Ca 0.06 0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.52 2pug h SER 109 Cb 0.35 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.48 2pug h SER 109 CO -0.18 -0.20 0.42 0.24 -0.87 0.00 0.00 176.83 176.24 2pug h MET 110 N -0.29 0.66 0.10 4.77 2.86 -0.20 -0.80 114.93 122.04 2pug h MET 110 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2pug h MET 110 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2pug h MET 110 CO -0.03 0.44 -0.08 0.52 1.06 0.00 0.00 176.91 178.82 2pug h MET 111 N 0.68 -0.19 -0.38 1.72 2.07 0.44 0.23 114.93 119.51 2pug h MET 111 Ca 0.39 0.01 0.07 0.00 -2.07 0.00 0.00 59.70 58.10 2pug h MET 111 Cb 0.42 0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 30.13 2pug h MET 111 CO -0.28 -0.12 0.02 0.00 1.07 0.00 0.00 176.91 177.60 2pug h ALA 112 N 0.70 0.36 -0.17 6.32 0.00 -0.50 -1.38 119.26 124.59 2pug h ALA 112 Ca -0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2pug h ALA 112 Cb 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2pug h ALA 112 CO -0.01 -0.38 -0.04 1.96 0.00 0.00 0.00 179.25 180.78 2pug h GLN 113 N 0.12 0.00 0.00 0.00 4.20 -0.70 0.46 115.11 119.20 2pug h GLN 113 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2pug h GLN 113 Cb 0.25 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2pug h GLN 113 CO -0.29 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.50 2pug n LYS 114 N -5.18 0.37 -3.60 1.46 4.76 0.79 -4.84 118.16 111.92 2pug n LYS 114 Ca -0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.18 2pug n LYS 114 Cb 0.11 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.87 2pug n LYS 114 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2pug n ARG 115 N -0.98 -3.06 -2.01 1.97 5.12 0.16 -4.92 116.66 112.95 2pug n ARG 115 Ca 0.08 0.62 -0.41 0.00 -1.93 0.00 0.00 57.85 56.21 2pug n ARG 115 Cb 0.04 -4.95 -0.02 0.00 -1.16 0.00 0.00 32.46 26.36 2pug n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pug s VAL 116 N -3.54 2.60 0.48 1.55 -7.23 -1.13 -4.17 120.40 108.96 2pug s VAL 116 Ca 0.26 0.53 0.20 0.00 -1.81 0.00 0.00 61.98 61.17 2pug s VAL 116 Cb -0.07 -3.34 0.25 0.00 0.56 0.00 0.00 36.38 33.78 2pug s VAL 116 CO 0.81 0.10 2.08 0.44 -0.31 0.00 0.00 175.10 178.22 2pug h ASP 117 N 4.56 0.00 -5.12 4.85 3.32 -1.52 -3.46 116.42 119.05 2pug h ASP 117 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 2pug h ASP 117 Cb 1.22 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.68 2pug h ASP 117 CO 0.74 0.11 -0.00 -0.83 -1.72 0.00 0.00 179.24 177.54 2pug s GLY 118 N -4.16 0.10 -0.08 2.75 0.00 -1.26 -4.33 107.32 100.35 2pug s GLY 118 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.25 2pug s GLY 118 CO 0.64 -0.37 -0.09 -2.27 0.00 0.00 0.00 173.10 171.01 2pug s LEU 119 N -2.92 1.42 -0.21 0.66 2.96 0.86 -2.17 118.68 119.27 2pug s LEU 119 Ca 0.13 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.68 2pug s LEU 119 Cb -0.01 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2pug s LEU 119 CO 0.02 -0.04 0.10 -0.76 -1.32 0.00 0.00 176.35 174.35 2pug s LEU 120 N 1.08 3.97 -0.13 -0.68 1.02 0.66 -0.69 118.68 123.91 2pug s LEU 120 Ca -0.07 0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.20 2pug s LEU 120 Cb -0.14 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.03 2pug s LEU 120 CO -0.01 0.13 -0.17 -0.69 0.02 0.00 0.00 176.35 175.63 2pug s VAL 121 N 0.63 2.62 -0.40 -1.59 1.01 0.44 -0.80 120.40 122.30 2pug s VAL 121 Ca 0.06 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.30 2pug s VAL 121 Cb -0.12 -2.08 0.22 0.00 0.00 0.00 0.00 36.38 34.40 2pug s VAL 121 CO 0.01 0.53 0.48 0.80 0.00 0.00 0.00 175.10 176.92 2pug n MET 122 N 3.75 0.55 -0.06 2.72 1.56 -0.63 -1.43 117.12 123.58 2pug n MET 122 Ca -0.19 -3.13 0.12 0.00 -0.27 0.00 0.00 57.70 54.23 2pug n MET 122 Cb 0.52 -1.36 0.26 0.00 2.15 0.00 0.00 33.22 34.79 2pug n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2pug n SER 124 N 0.99 0.00 -4.79 0.00 7.64 -1.26 -4.70 113.62 111.50 2pug n SER 124 Ca 0.17 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 2pug n SER 124 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2pug n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2pug s GLU 125 N 0.00 4.15 -0.57 1.43 2.02 -1.26 -4.61 118.70 119.86 2pug s GLU 125 Ca 0.00 0.54 0.04 0.00 0.02 0.00 0.00 54.97 55.57 2pug s GLU 125 Cb 0.00 -3.30 0.15 0.00 0.10 0.00 0.00 34.13 31.08 2pug s GLU 125 CO 0.00 0.50 0.37 0.71 0.02 0.00 0.00 175.26 176.85 2pug s TYR 126 N -0.52 2.82 0.69 1.61 1.51 -1.26 -5.04 117.35 117.16 2pug s TYR 126 Ca 0.26 -2.98 -0.11 0.00 -1.01 0.00 0.00 57.07 53.24 2pug s TYR 126 Cb -0.17 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.35 2pug s TYR 126 CO 0.14 -0.68 1.07 -1.25 -1.11 0.00 0.00 175.55 173.72 2pug s PRO 127 N -0.60 3.04 0.23 -1.71 0.04 -1.26 -4.74 135.00 129.99 2pug s PRO 127 Ca 0.22 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 61.83 2pug s PRO 127 Cb -0.13 -2.03 0.39 0.00 0.04 0.00 0.00 34.50 32.78 2pug s PRO 127 CO -0.10 -0.95 1.66 0.93 0.04 0.00 0.00 177.00 178.58 2pug h GLU 128 N -0.60 0.15 -0.48 4.56 4.39 -1.99 0.26 114.58 120.87 2pug h GLU 128 Ca -0.45 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.33 2pug h GLU 128 Cb 1.23 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.77 2pug h GLU 128 CO 0.62 0.10 0.08 -1.35 -1.16 0.00 0.00 179.01 177.29 2pug h PRO 129 N 0.16 0.20 -0.55 2.33 0.11 -2.00 0.33 132.00 132.58 2pug h PRO 129 Ca 0.38 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 2pug h PRO 129 Cb 0.65 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 2pug h PRO 129 CO -0.57 0.13 -0.01 1.25 -0.21 0.00 0.00 178.00 178.59 2pug h LEU 130 N 0.20 0.92 -1.49 2.35 7.12 -1.31 -1.78 115.31 121.33 2pug h LEU 130 Ca 0.24 -0.25 0.01 0.00 0.13 0.00 0.00 57.88 58.01 2pug h LEU 130 Cb 0.33 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 2pug h LEU 130 CO -0.34 0.99 0.35 -0.07 -0.13 0.00 0.00 178.44 179.24 2pug h LEU 131 N 0.87 0.60 0.08 2.25 4.07 0.15 -2.43 115.31 120.89 2pug h LEU 131 Ca 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2pug h LEU 131 Cb 0.53 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2pug h LEU 131 CO 0.03 0.43 -0.04 0.00 -1.08 0.00 0.00 178.44 177.78 2pug h ALA 132 N 1.67 -0.10 -0.61 1.53 0.00 0.40 -2.91 119.26 119.23 2pug h ALA 132 Ca 0.20 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2pug h ALA 132 Cb -0.05 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 2pug h ALA 132 CO -0.05 -0.30 0.07 0.52 0.00 0.00 0.00 179.25 179.49 2pug h MET 133 N -0.61 0.19 -0.69 0.00 2.86 -1.28 0.19 114.93 115.58 2pug h MET 133 Ca -0.01 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 2pug h MET 133 Cb 0.51 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 2pug h MET 133 CO 0.02 0.12 0.22 -0.07 1.06 0.00 0.00 176.91 178.26 2pug h LEU 134 N 0.19 0.16 -1.34 1.22 3.38 -1.45 0.11 115.31 117.59 2pug h LEU 134 Ca 0.32 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 2pug h LEU 134 Cb 0.50 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2pug h LEU 134 CO -0.46 0.06 -0.10 -0.08 0.09 0.00 0.00 178.44 177.95 2pug h GLU 135 N 0.36 0.32 0.00 1.13 4.81 -0.77 -0.71 114.58 119.72 2pug h GLU 135 Ca 0.37 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2pug h GLU 135 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2pug h GLU 135 CO -0.40 0.43 0.06 0.39 -0.73 0.00 0.00 179.01 178.76 2pug n GLU 136 N -4.27 0.06 -0.17 1.92 1.02 0.02 0.17 120.64 119.39 2pug n GLU 136 Ca -0.00 0.54 0.10 0.00 -0.02 0.00 0.00 57.16 57.77 2pug n GLU 136 Cb 0.27 -1.77 0.17 0.00 -0.02 0.00 0.00 31.44 30.10 2pug n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pug n TYR 137 N -1.83 0.26 0.08 -0.32 4.02 -0.28 -4.70 117.16 114.39 2pug n TYR 137 Ca -0.01 -0.96 0.04 0.00 -0.01 0.00 0.00 57.90 56.96 2pug n TYR 137 Cb 0.07 -0.19 0.20 0.00 -0.02 0.00 0.00 39.34 39.39 2pug n TYR 137 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 2pug n ARG 138 N -1.18 0.05 0.06 -0.72 1.85 0.13 -0.40 116.66 116.43 2pug n ARG 138 Ca 0.17 0.46 -0.12 0.00 -1.00 0.00 0.00 57.85 57.36 2pug n ARG 138 Cb 0.71 -1.85 -0.02 0.00 -1.05 0.00 0.00 32.46 30.25 2pug n ARG 138 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 2pug h HIS 139 N 0.00 0.58 -3.04 2.89 2.07 -1.84 -3.41 115.15 112.40 2pug h HIS 139 Ca 0.00 -0.29 -0.56 0.00 -2.85 0.00 0.00 60.37 56.67 2pug h HIS 139 Cb 0.39 -0.08 -0.04 0.00 2.57 0.00 0.00 27.41 30.25 2pug h HIS 139 CO 0.00 1.09 0.77 0.42 -3.07 0.00 0.00 177.93 177.14 2pug s ILE 140 N -3.42 4.39 0.27 6.12 1.09 0.46 -4.95 121.20 125.16 2pug s ILE 140 Ca -0.06 1.69 -0.31 0.00 -1.10 0.00 0.00 60.65 60.88 2pug s ILE 140 Cb 0.10 -4.09 -0.12 0.00 -1.06 0.00 0.00 42.46 37.28 2pug s ILE 140 CO 0.86 -0.07 1.53 -0.81 -0.10 0.00 0.00 174.94 176.34 2pug n PRO 141 N 5.84 2.46 -3.49 2.79 -0.05 -1.26 -4.77 135.00 136.52 2pug n PRO 141 Ca 0.12 0.88 -0.13 0.00 -0.05 0.00 0.00 63.50 64.31 2pug n PRO 141 Cb 0.46 -2.62 -0.04 0.00 -0.05 0.00 0.00 33.50 31.26 2pug n PRO 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2pug s MET 142 N -0.40 1.17 -0.00 0.54 0.23 -1.26 -0.10 119.30 119.48 2pug s MET 142 Ca 0.66 -0.34 -0.00 0.00 -1.03 0.00 0.00 55.69 54.98 2pug s MET 142 Cb -0.55 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.29 2pug s MET 142 CO 0.48 -0.47 0.01 0.54 -2.03 0.00 0.00 175.02 173.55 2pug s VAL 143 N -3.10 -0.00 -0.18 5.16 0.11 0.13 -2.72 120.40 119.81 2pug s VAL 143 Ca -0.02 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 2pug s VAL 143 Cb -0.00 -0.02 -0.05 0.00 -1.53 0.00 0.00 36.38 34.77 2pug s VAL 143 CO -0.07 0.01 0.15 0.68 -3.33 0.00 0.00 175.10 172.54 2pug s VAL 144 N 0.07 5.41 -2.49 2.04 -7.23 -0.76 -0.42 120.40 117.02 2pug s VAL 144 Ca -0.01 0.24 0.24 0.00 -1.81 0.00 0.00 61.98 60.64 2pug s VAL 144 Cb -0.01 -3.48 0.11 0.00 0.56 0.00 0.00 36.38 33.57 2pug s VAL 144 CO -0.00 0.47 1.21 1.15 -0.31 0.00 0.00 175.10 177.62 2pug n MET 145 N 3.17 1.73 -0.44 4.82 0.00 -0.51 -3.03 117.12 122.86 2pug n MET 145 Ca -0.16 -1.41 0.07 0.00 0.00 0.00 0.00 57.70 56.20 2pug n MET 145 Cb 0.53 -1.47 0.17 0.00 0.00 0.00 0.00 33.22 32.45 2pug n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2pug n ASP 146 N 0.60 1.87 -4.97 3.17 5.68 -1.26 -4.79 116.55 116.85 2pug n ASP 146 Ca 0.12 -3.47 -0.21 0.00 -0.50 0.00 0.00 54.79 50.73 2pug n ASP 146 Cb 0.52 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 2pug n ASP 146 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 2pug s TRP 147 N -2.87 3.41 -0.15 2.11 0.51 -1.26 -4.51 118.94 116.18 2pug s TRP 147 Ca 0.35 0.03 -0.18 0.00 -2.12 0.00 0.00 56.10 54.18 2pug s TRP 147 Cb 0.33 -1.72 -0.15 0.00 -0.81 0.00 0.00 33.47 31.12 2pug s TRP 147 CO -0.04 0.29 0.34 0.78 -0.51 0.00 0.00 176.95 177.82 2pug h GLY 148 N 1.03 0.00 0.00 0.98 0.00 -1.94 -3.39 103.07 99.74 2pug h GLY 148 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2pug h GLY 148 CO 0.60 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.30 2pug n GLU 149 N -4.61 2.89 -3.05 4.80 0.00 -1.26 -4.72 120.64 114.68 2pug n GLU 149 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.59 2pug n GLU 149 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.79 2pug n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pug s ALA 150 N -2.00 3.58 0.62 -1.84 0.00 -1.26 -4.87 121.76 115.98 2pug s ALA 150 Ca 0.00 -2.91 0.35 0.00 0.00 0.00 0.00 51.96 49.40 2pug s ALA 150 Cb 0.00 -3.88 2.03 0.00 0.00 0.00 0.00 23.12 21.27 2pug s ALA 150 CO 0.00 -2.75 2.29 0.87 0.00 0.00 0.00 175.76 176.16 2pug h LYS 151 N 8.54 0.00 -3.93 0.00 6.56 -1.98 -3.44 116.57 122.32 2pug h LYS 151 Ca 0.12 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.61 2pug h LYS 151 Cb 1.03 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.56 2pug h LYS 151 CO 1.00 0.00 -0.39 0.00 -2.06 0.00 0.00 179.45 178.00 2pug s ALA 152 N -4.46 0.03 -0.15 3.86 0.00 -1.26 -5.06 121.76 114.72 2pug s ALA 152 Ca -0.05 -0.86 0.20 0.00 0.00 0.00 0.00 51.96 51.25 2pug s ALA 152 Cb 0.14 0.69 -0.14 0.00 0.00 0.00 0.00 23.12 23.81 2pug s ALA 152 CO 0.50 -0.56 0.77 -0.40 0.00 0.00 0.00 175.76 176.06 2pug n ASP 153 N -0.13 0.62 -1.33 0.00 5.75 -1.26 -4.30 116.55 115.90 2pug n ASP 153 Ca -0.10 0.26 -0.02 0.00 -0.01 0.00 0.00 54.79 54.91 2pug n ASP 153 Cb 0.63 0.69 0.16 0.00 -1.03 0.00 0.00 41.12 41.56 2pug n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2pug n PHE 154 N -2.68 1.19 -4.01 2.11 -1.74 -1.26 -4.44 117.46 106.63 2pug n PHE 154 Ca -0.07 -0.64 -0.10 0.00 -0.56 0.00 0.00 57.45 56.08 2pug n PHE 154 Cb 0.71 -0.41 -0.07 0.00 1.52 0.00 0.00 39.48 41.24 2pug n PHE 154 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2pug s THR 155 N -1.77 0.03 0.28 1.97 2.01 -1.26 -4.84 115.64 112.07 2pug s THR 155 Ca 0.27 -1.50 0.04 0.00 0.31 0.00 0.00 61.69 60.81 2pug s THR 155 Cb 0.21 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 2pug s THR 155 CO 0.07 -0.14 0.43 -1.81 -0.69 0.00 0.00 174.62 172.48 2pug s ASP 156 N -3.02 6.28 -0.18 3.53 1.01 -1.10 -4.13 116.67 119.06 2pug s ASP 156 Ca 0.23 0.17 -0.11 0.00 0.71 0.00 0.00 52.55 53.55 2pug s ASP 156 Cb 0.03 -1.86 0.06 0.00 1.01 0.00 0.00 42.92 42.15 2pug s ASP 156 CO 0.05 -0.18 0.44 0.00 0.21 0.00 0.00 175.17 175.69 2pug s ALA 157 N -2.11 -1.12 -0.17 5.23 0.00 -0.07 -1.83 121.76 121.69 2pug s ALA 157 Ca 0.37 1.53 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 2pug s ALA 157 Cb -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2pug s ALA 157 CO 0.31 -0.26 0.05 0.54 0.00 0.00 0.00 175.76 176.40 2pug s VAL 158 N 1.14 4.68 -0.10 0.00 0.11 -1.17 -0.35 120.40 124.72 2pug s VAL 158 Ca -0.07 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2pug s VAL 158 Cb -0.07 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 2pug s VAL 158 CO -0.10 0.48 -0.19 0.27 -3.33 0.00 0.00 175.10 172.23 2pug s ILE 159 N 0.23 2.52 -0.79 7.04 -5.25 0.16 -4.44 121.20 120.66 2pug s ILE 159 Ca 0.03 -0.87 0.26 0.00 -0.99 0.00 0.00 60.65 59.09 2pug s ILE 159 Cb -0.12 -2.00 0.21 0.00 2.95 0.00 0.00 42.46 43.50 2pug s ILE 159 CO 0.01 0.55 1.70 -0.90 -1.79 0.00 0.00 174.94 174.50 2pug n ASP 160 N 3.31 0.59 -3.28 4.36 5.68 -1.26 0.09 116.55 126.03 2pug n ASP 160 Ca -0.18 0.41 -0.21 0.00 -0.50 0.00 0.00 54.79 54.31 2pug n ASP 160 Cb 0.53 -0.47 0.07 0.00 -1.14 0.00 0.00 41.12 40.11 2pug n ASP 160 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2pug n ASN 161 N -2.01 -5.28 0.26 -1.12 3.02 -1.26 -4.15 115.26 104.71 2pug n ASN 161 Ca 0.05 -0.50 0.10 0.00 -0.03 0.00 0.00 54.58 54.20 2pug n ASN 161 Cb 0.41 -4.61 0.71 0.00 -0.61 0.00 0.00 39.78 35.67 2pug n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pug h ALA 162 N 0.90 1.90 -0.14 5.41 0.00 -1.93 -2.16 119.26 123.25 2pug h ALA 162 Ca -0.52 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2pug h ALA 162 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2pug h ALA 162 CO 0.50 -0.02 -0.11 0.35 0.00 0.00 0.00 179.25 179.97 2pug h PHE 163 N 0.00 0.38 0.00 0.00 3.04 -1.87 -0.01 116.94 118.48 2pug h PHE 163 Ca 0.01 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 2pug h PHE 163 Cb 0.03 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 2pug h PHE 163 CO 0.00 0.69 -0.01 1.49 -2.02 0.00 0.00 178.31 178.46 2pug h GLU 164 N -0.05 0.00 0.00 1.11 4.81 -1.71 -1.79 114.58 116.96 2pug h GLU 164 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pug h GLU 164 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2pug h GLU 164 CO 0.03 0.01 -0.00 0.78 -0.73 0.00 0.00 179.01 179.09 2pug h GLY 165 N 0.02 -0.01 0.38 1.92 0.00 -0.97 -1.87 103.07 102.54 2pug h GLY 165 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2pug h GLY 165 CO 0.00 -0.00 0.63 -1.33 0.00 0.00 0.00 176.54 175.84 2pug h GLY 166 N -0.55 1.67 1.15 4.60 0.00 -0.53 0.13 103.07 109.54 2pug h GLY 166 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2pug h GLY 166 CO 0.00 0.10 -0.05 -1.82 0.00 0.00 0.00 176.54 174.77 2pug h TYR 167 N 0.93 1.10 0.18 5.60 3.20 -0.97 -2.42 116.97 124.58 2pug h TYR 167 Ca 0.52 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2pug h TYR 167 Cb 0.61 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2pug h TYR 167 CO -0.00 1.00 -0.09 0.52 -1.64 0.00 0.00 178.16 177.95 2pug h MET 168 N 0.91 -0.23 -0.37 1.82 2.86 -0.14 -2.02 114.93 117.76 2pug h MET 168 Ca 0.15 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 2pug h MET 168 Cb 0.60 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 2pug h MET 168 CO 0.04 -0.13 -0.07 0.00 1.06 0.00 0.00 176.91 177.81 2pug h ALA 169 N 0.55 0.27 0.13 6.32 0.00 -1.22 -1.06 119.26 124.24 2pug h ALA 169 Ca -0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2pug h ALA 169 Cb 0.21 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2pug h ALA 169 CO 0.04 -0.44 -0.15 0.78 0.00 0.00 0.00 179.25 179.47 2pug h GLY 170 N 0.02 -0.31 -0.14 0.00 0.00 -1.34 -2.19 103.07 99.11 2pug h GLY 170 Ca 0.18 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.80 2pug h GLY 170 CO -0.36 -0.15 -0.12 3.21 0.00 0.00 0.00 176.54 179.12 2pug h ARG 171 N -0.33 0.02 -0.05 4.80 2.47 -0.74 0.76 114.38 121.33 2pug h ARG 171 Ca 0.01 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2pug h ARG 171 Cb 0.32 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.58 2pug h ARG 171 CO -0.06 0.01 -0.32 -0.92 0.56 0.00 0.00 179.97 179.25 2pug h TYR 172 N 0.02 -0.88 -0.98 3.04 3.20 -0.90 0.23 116.97 120.70 2pug h TYR 172 Ca 0.29 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.29 2pug h TYR 172 Cb 0.45 0.40 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 2pug h TYR 172 CO -0.46 -0.41 0.62 -0.07 -1.64 0.00 0.00 178.16 176.21 2pug h LEU 173 N -0.44 0.94 0.13 2.82 3.38 -0.57 -1.26 115.31 120.30 2pug h LEU 173 Ca 0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2pug h LEU 173 Cb 0.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2pug h LEU 173 CO -0.30 0.54 -0.06 0.40 0.09 0.00 0.00 178.44 179.11 2pug h ILE 174 N 1.03 0.98 0.00 1.22 2.04 0.92 -2.14 117.51 121.56 2pug h ILE 174 Ca 0.46 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2pug h ILE 174 Cb 0.37 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2pug h ILE 174 CO -0.23 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.40 2pug n GLU 175 N -5.08 0.19 0.04 2.37 1.02 0.61 -1.80 120.64 117.99 2pug n GLU 175 Ca -0.09 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 2pug n GLU 175 Cb 0.16 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.25 2pug n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pug n ARG 176 N -1.30 0.21 0.00 3.49 5.12 -0.52 -4.91 116.66 118.75 2pug n ARG 176 Ca 0.06 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2pug n ARG 176 Cb 0.11 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 2pug n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pug n GLY 177 N 1.39 1.26 3.85 -0.13 0.00 -0.75 0.10 105.19 110.92 2pug n GLY 177 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2pug n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pug s HIS 178 N -2.00 3.60 0.00 1.61 3.76 -0.95 -0.63 115.29 120.68 2pug s HIS 178 Ca 0.00 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 2pug s HIS 178 Cb 0.00 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.34 2pug s HIS 178 CO 0.00 0.44 0.00 0.54 -0.85 0.00 0.00 174.74 174.87 2pug n ARG 179 N 0.81 4.15 -3.50 1.40 1.74 -1.26 -4.37 116.66 115.62 2pug n ARG 179 Ca -0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.60 2pug n ARG 179 Cb 0.52 -0.44 -0.05 0.00 -1.02 0.00 0.00 32.46 31.47 2pug n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pug s GLU 180 N -0.21 3.15 0.05 5.56 2.02 -1.26 -4.78 118.70 123.23 2pug s GLU 180 Ca 0.00 -2.51 0.08 0.00 0.02 0.00 0.00 54.97 52.56 2pug s GLU 180 Cb 0.00 -4.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.08 2pug s GLU 180 CO 0.00 -1.24 -0.23 0.42 0.02 0.00 0.00 175.26 174.23 2pug s ILE 181 N 0.02 2.45 0.44 -1.63 1.01 -1.26 0.19 121.20 122.43 2pug s ILE 181 Ca 0.18 -1.32 0.06 0.00 0.00 0.00 0.00 60.65 59.57 2pug s ILE 181 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2pug s ILE 181 CO -0.06 0.34 0.10 -0.83 0.00 0.00 0.00 174.94 174.48 2pug s GLY 182 N -1.38 2.54 -0.20 6.18 0.00 0.06 -4.83 107.32 109.70 2pug s GLY 182 Ca 0.13 -1.78 -0.15 0.00 0.00 0.00 0.00 44.72 42.93 2pug s GLY 182 CO 0.04 -2.04 0.51 0.54 0.00 0.00 0.00 173.10 172.14 2pug s VAL 183 N -2.71 -0.01 -0.40 1.40 0.11 -0.24 -1.08 120.40 117.48 2pug s VAL 183 Ca 0.31 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.37 2pug s VAL 183 Cb 0.05 -0.72 0.11 0.00 -1.53 0.00 0.00 36.38 34.29 2pug s VAL 183 CO 0.17 0.01 0.19 -0.63 -3.33 0.00 0.00 175.10 171.51 2pug s ILE 184 N 0.82 3.21 0.73 7.04 1.01 -0.70 -0.98 121.20 132.33 2pug s ILE 184 Ca -0.04 -2.06 -0.07 0.00 0.00 0.00 0.00 60.65 58.48 2pug s ILE 184 Cb -0.05 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.29 2pug s ILE 184 CO -0.07 -0.67 1.04 -2.16 0.00 0.00 0.00 174.94 173.08 2pug s PRO 185 N 1.13 2.05 0.61 2.79 0.04 -1.20 -0.11 135.00 140.31 2pug s PRO 185 Ca 0.08 -0.32 0.05 0.00 0.04 0.00 0.00 61.00 60.86 2pug s PRO 185 Cb -0.22 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.25 2pug s PRO 185 CO -0.04 -1.34 0.84 0.20 0.04 0.00 0.00 177.00 176.70 2pug s GLY 186 N -4.56 1.76 0.06 0.56 0.00 -1.26 0.48 107.32 104.37 2pug s GLY 186 Ca 0.62 -1.92 -0.37 0.00 0.00 0.00 0.00 44.72 43.04 2pug s GLY 186 CO 0.45 -1.46 1.38 -1.05 0.00 0.00 0.00 173.10 172.43 2pug n PRO 187 N -2.42 1.21 0.11 2.90 -0.02 -1.22 -4.49 135.00 131.06 2pug n PRO 187 Ca 0.14 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2pug n PRO 187 Cb 0.61 -2.09 0.45 0.00 -0.02 0.00 0.00 33.50 32.45 2pug n PRO 187 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pug n LEU 188 N 2.79 0.49 -0.17 2.45 4.77 -1.26 -2.09 117.00 123.98 2pug n LEU 188 Ca 0.19 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.96 2pug n LEU 188 Cb 0.19 -0.61 0.66 0.00 -2.33 0.00 0.00 43.42 41.33 2pug n LEU 188 CO 0.64 -0.58 0.92 -0.62 -1.33 0.00 0.00 177.39 176.41 2pug n GLU 189 N -2.07 0.98 -3.84 3.23 4.71 -1.26 -4.09 120.64 118.30 2pug n GLU 189 Ca 0.01 -0.35 -0.21 0.00 -0.01 0.00 0.00 57.16 56.60 2pug n GLU 189 Cb 0.17 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.06 2pug n GLU 189 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2pug s GLN 190 N -2.26 2.70 -0.07 3.49 -0.21 -0.89 -4.48 119.66 117.94 2pug s GLN 190 Ca 0.35 -1.31 -0.22 0.00 0.02 0.00 0.00 55.36 54.20 2pug s GLN 190 Cb 0.21 -2.45 -0.17 0.00 1.00 0.00 0.00 33.01 31.59 2pug s GLN 190 CO 0.42 0.10 0.86 -0.97 -2.12 0.00 0.00 175.29 173.58 2pug h ASN 191 N 1.28 -0.11 0.07 5.90 -1.24 -1.82 -1.19 115.58 118.47 2pug h ASN 191 Ca -0.45 -0.48 0.00 0.00 0.71 0.00 0.00 56.30 56.09 2pug h ASN 191 Cb 1.25 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2pug h ASN 191 CO 0.59 0.52 0.00 0.35 -1.29 0.00 0.00 177.43 177.60 2pug n THR 192 N -4.84 1.66 0.00 -3.57 -2.24 -1.26 0.02 114.28 104.05 2pug n THR 192 Ca -0.08 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 2pug n THR 192 Cb 0.29 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 2pug n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pug n GLY 193 N -1.23 0.31 0.42 3.38 0.00 -1.14 -4.26 105.19 102.67 2pug n GLY 193 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2pug n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pug h ALA 194 N -2.00 -0.58 -0.17 4.61 0.00 -1.19 -2.39 119.26 117.54 2pug h ALA 194 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pug h ALA 194 Cb 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2pug h ALA 194 CO 0.00 -0.95 0.12 0.78 0.00 0.00 0.00 179.25 179.20 2pug h GLY 195 N -0.33 0.10 1.08 0.00 0.00 -0.57 -0.86 103.07 102.49 2pug h GLY 195 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 2pug h GLY 195 CO -0.63 0.03 -0.86 3.21 0.00 0.00 0.00 176.54 178.29 2pug h ARG 196 N 0.09 0.64 -0.86 4.80 3.08 -1.44 -2.91 114.38 117.77 2pug h ARG 196 Ca 0.07 -0.64 -0.02 0.00 0.07 0.00 0.00 59.98 59.46 2pug h ARG 196 Cb 0.19 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2pug h ARG 196 CO -0.01 1.25 0.45 1.25 -1.07 0.00 0.00 179.97 181.84 2pug h LEU 197 N 0.28 1.09 0.33 3.04 5.85 -1.03 -2.10 115.31 122.77 2pug h LEU 197 Ca -0.10 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2pug h LEU 197 Cb 1.52 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2pug h LEU 197 CO 0.17 0.89 -0.16 0.00 -0.34 0.00 0.00 178.44 179.00 2pug h ALA 198 N 1.24 -0.45 -0.93 1.25 0.00 -1.22 0.22 119.26 119.37 2pug h ALA 198 Ca 0.30 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.26 2pug h ALA 198 Cb 0.06 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2pug h ALA 198 CO -0.04 -0.66 0.61 0.78 0.00 0.00 0.00 179.25 179.93 2pug h GLY 199 N -0.63 1.02 0.56 0.00 0.00 -1.38 -0.20 103.07 102.44 2pug h GLY 199 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2pug h GLY 199 CO 0.08 -0.02 -0.10 -2.75 0.00 0.00 0.00 176.54 173.75 2pug h PHE 200 N 0.46 -0.25 -0.04 5.60 3.57 -0.99 -2.66 116.94 122.63 2pug h PHE 200 Ca 0.49 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.00 2pug h PHE 200 Cb 1.15 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2pug h PHE 200 CO -0.00 0.12 0.05 1.98 -2.23 0.00 0.00 178.31 178.23 2pug h MET 201 N -0.72 0.00 0.54 1.11 4.05 0.11 -2.48 114.93 117.54 2pug h MET 201 Ca -0.03 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 2pug h MET 201 Cb 0.49 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.30 2pug h MET 201 CO 0.05 0.00 -0.26 -0.22 0.23 0.00 0.00 176.91 176.71 2pug h LYS 202 N 0.00 -0.70 -0.93 0.39 1.63 -1.06 -1.45 116.57 114.45 2pug h LYS 202 Ca 0.02 0.05 0.20 0.00 -0.85 0.00 0.00 60.65 60.07 2pug h LYS 202 Cb 0.12 0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 31.79 2pug h LYS 202 CO -0.00 -0.39 0.50 0.00 -3.45 0.00 0.00 179.45 176.11 2pug h ALA 203 N -0.75 1.54 0.43 5.00 0.00 -1.41 0.34 119.26 124.41 2pug h ALA 203 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2pug h ALA 203 Cb 0.63 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pug h ALA 203 CO 0.12 -0.21 -0.27 0.52 0.00 0.00 0.00 179.25 179.42 2pug h MET 204 N 0.57 -0.64 -0.79 0.00 2.86 -1.26 -2.45 114.93 113.23 2pug h MET 204 Ca 0.56 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.29 2pug h MET 204 Cb 0.98 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.73 2pug h MET 204 CO -0.45 -0.43 0.49 0.93 1.06 0.00 0.00 176.91 178.51 2pug h GLU 205 N -0.67 0.89 0.00 1.72 5.08 -0.14 0.30 114.58 121.77 2pug h GLU 205 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2pug h GLU 205 Cb 0.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2pug h GLU 205 CO 0.05 0.59 0.03 0.93 -1.00 0.00 0.00 179.01 179.61 2pug h GLU 206 N 0.92 0.00 -0.10 2.33 5.08 -0.04 -1.68 114.58 121.10 2pug h GLU 206 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2pug h GLU 206 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2pug h GLU 206 CO -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.87 2pug n ALA 207 N -1.87 2.18 -2.12 3.43 0.00 0.94 -4.97 120.51 118.10 2pug n ALA 207 Ca -0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 53.44 52.33 2pug n ALA 207 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2pug n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pug n MET 208 N -0.02 -1.36 -3.59 0.00 2.81 -0.51 -4.97 117.12 109.49 2pug n MET 208 Ca 0.04 0.92 -0.38 0.00 -1.81 0.00 0.00 57.70 56.47 2pug n MET 208 Cb 0.26 -5.34 -0.06 0.00 -0.71 0.00 0.00 33.22 27.38 2pug n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2pug s ILE 209 N -2.82 5.15 -0.10 2.02 1.01 -0.44 -5.01 121.20 121.00 2pug s ILE 209 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.37 2pug s ILE 209 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 2pug s ILE 209 CO 0.00 0.58 -0.21 -1.59 0.00 0.00 0.00 174.94 173.72 2pug s LYS 210 N -0.99 3.10 -0.39 2.79 0.00 -1.26 -4.05 119.74 118.94 2pug s LYS 210 Ca 0.22 -0.82 -0.15 0.00 0.00 0.00 0.00 55.97 55.21 2pug s LYS 210 Cb -0.15 -2.39 0.01 0.00 0.00 0.00 0.00 37.83 35.29 2pug s LYS 210 CO 0.11 0.21 0.35 0.08 0.00 0.00 0.00 175.35 176.10 2pug s VAL 211 N 0.29 5.19 0.26 1.79 1.01 -1.26 -4.93 120.40 122.74 2pug s VAL 211 Ca -0.15 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 2pug s VAL 211 Cb -0.17 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 2pug s VAL 211 CO 0.08 -0.25 1.64 -2.16 0.00 0.00 0.00 175.10 174.41 2pug s PRO 212 N 1.90 4.12 0.53 2.72 0.04 -1.26 -4.87 135.00 138.18 2pug s PRO 212 Ca 0.09 2.59 0.24 0.00 0.04 0.00 0.00 61.00 63.96 2pug s PRO 212 Cb -0.18 -3.04 1.39 0.00 0.04 0.00 0.00 34.50 32.72 2pug s PRO 212 CO 0.12 -0.68 2.02 1.05 0.04 0.00 0.00 177.00 179.55 2pug h GLU 213 N 5.54 0.00 0.00 4.56 4.11 -1.95 0.49 114.58 127.32 2pug h GLU 213 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2pug h GLU 213 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2pug h GLU 213 CO 0.85 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.80 2pug n SER 214 N -4.36 0.00 -0.76 3.06 3.41 -1.26 -2.20 113.62 111.51 2pug n SER 214 Ca 0.07 0.34 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 2pug n SER 214 Cb 0.51 -0.40 0.17 0.00 -0.26 0.00 0.00 64.21 64.24 2pug n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2pug n TRP 215 N -1.40 0.48 -3.98 7.33 7.02 0.17 -4.81 117.44 122.25 2pug n TRP 215 Ca 0.03 -0.41 -0.30 0.00 -1.02 0.00 0.00 57.50 55.80 2pug n TRP 215 Cb 0.07 -0.02 -0.16 0.00 -2.42 0.00 0.00 31.31 28.79 2pug n TRP 215 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 2pug s ILE 216 N -1.03 1.50 -0.11 -0.99 -1.16 -0.94 -1.08 121.20 117.39 2pug s ILE 216 Ca 0.27 -0.78 0.01 0.00 -0.51 0.00 0.00 60.65 59.64 2pug s ILE 216 Cb 0.15 -1.53 0.02 0.00 0.61 0.00 0.00 42.46 41.70 2pug s ILE 216 CO 0.19 0.27 -0.14 -0.69 -2.81 0.00 0.00 174.94 171.76 2pug s VAL 217 N 1.48 1.44 0.37 4.00 1.01 -0.15 -4.99 120.40 123.56 2pug s VAL 217 Ca 0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2pug s VAL 217 Cb -0.15 -1.33 -0.11 0.00 0.00 0.00 0.00 36.38 34.79 2pug s VAL 217 CO -0.09 0.43 1.48 0.00 0.00 0.00 0.00 175.10 176.92 2pug n GLN 218 N 4.30 2.64 -4.37 2.72 1.13 -1.26 -3.23 117.38 119.31 2pug n GLN 218 Ca -0.19 0.93 -0.29 0.00 -1.94 0.00 0.00 57.00 55.52 2pug n GLN 218 Cb 0.51 -2.65 -0.06 0.00 0.11 0.00 0.00 30.24 28.15 2pug n GLN 218 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pug n GLY 219 N 0.61 3.62 0.47 1.08 0.00 0.18 -4.89 105.19 106.25 2pug n GLY 219 Ca 0.02 -2.34 0.02 0.00 0.00 0.00 0.00 46.02 43.72 2pug n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pug n ASP 220 N -1.29 0.52 0.00 1.61 5.68 -1.26 -3.41 116.55 118.40 2pug n ASP 220 Ca -0.18 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 2pug n ASP 220 Cb 0.57 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2pug n ASP 220 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2pug n PHE 221 N -0.27 0.00 -3.19 2.11 3.72 -1.26 -4.91 117.46 113.67 2pug n PHE 221 Ca 0.04 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.05 2pug n PHE 221 Cb 0.71 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 2pug n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2pug s GLU 222 N 0.00 4.36 0.34 -1.08 0.41 -1.26 -3.84 118.70 117.63 2pug s GLU 222 Ca 0.00 0.71 0.16 0.00 -0.41 0.00 0.00 54.97 55.43 2pug s GLU 222 Cb 0.00 -3.40 1.17 0.00 -1.78 0.00 0.00 34.13 30.13 2pug s GLU 222 CO 0.00 0.23 1.53 -0.35 -0.49 0.00 0.00 175.26 176.18 2pug n PRO 223 N 3.26 -0.06 -0.30 0.39 -0.04 -1.25 0.30 135.00 137.30 2pug n PRO 223 Ca -0.05 1.36 -0.01 0.00 -0.04 0.00 0.00 63.50 64.76 2pug n PRO 223 Cb 0.51 -2.38 0.11 0.00 -0.04 0.00 0.00 33.50 31.70 2pug n PRO 223 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2pug h GLU 224 N 0.00 0.96 -0.42 0.54 4.57 -1.91 0.04 114.58 118.36 2pug h GLU 224 Ca 0.77 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.86 2pug h GLU 224 Cb 1.95 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 30.30 2pug h GLU 224 CO -0.79 0.64 0.16 0.66 -1.18 0.00 0.00 179.01 178.50 2pug h SER 225 N 0.99 0.54 -0.23 1.04 4.64 -0.53 -0.75 113.55 119.25 2pug h SER 225 Ca 0.33 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2pug h SER 225 Cb 0.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2pug h SER 225 CO -0.13 0.50 0.03 1.23 -0.87 0.00 0.00 176.83 177.59 2pug h GLY 226 N 0.76 0.43 0.07 -0.77 0.00 -1.03 -1.16 103.07 101.38 2pug h GLY 226 Ca 0.15 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2pug h GLY 226 CO -0.01 0.27 -0.49 -1.82 0.00 0.00 0.00 176.54 174.49 2pug h TYR 227 N 0.19 -1.43 -0.47 5.60 3.20 0.15 -1.41 116.97 122.79 2pug h TYR 227 Ca 0.07 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.05 2pug h TYR 227 Cb 0.35 0.61 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 2pug h TYR 227 CO 0.03 -0.54 0.14 0.00 -1.64 0.00 0.00 178.16 176.15 2pug h ARG 228 N -0.67 0.30 0.44 1.82 -0.00 -1.12 -2.53 114.38 112.62 2pug h ARG 228 Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2pug h ARG 228 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.57 2pug h ARG 228 CO -0.29 0.20 -0.48 0.00 0.00 0.00 0.00 179.97 179.39 2pug h ALA 229 N 1.33 -1.12 -0.75 0.04 0.00 -0.88 0.22 119.26 118.09 2pug h ALA 229 Ca 0.23 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.12 2pug h ALA 229 Cb 0.25 0.73 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2pug h ALA 229 CO -0.25 -1.16 -0.17 1.98 0.00 0.00 0.00 179.25 179.65 2pug h MET 230 N -0.94 0.01 0.22 0.00 -1.53 -1.16 0.27 114.93 111.81 2pug h MET 230 Ca -0.06 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 2pug h MET 230 Cb 0.82 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.85 2pug h MET 230 CO -0.08 0.01 -0.33 0.37 0.14 0.00 0.00 176.91 177.02 2pug h GLN 231 N 0.01 -0.56 -1.12 0.39 4.15 -1.11 -0.00 115.11 116.87 2pug h GLN 231 Ca 0.37 0.04 0.34 0.00 0.77 0.00 0.00 58.65 60.16 2pug h GLN 231 Cb 0.57 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.27 2pug h GLN 231 CO -0.77 -0.37 0.70 1.96 -1.93 0.00 0.00 178.83 178.43 2pug h GLN 232 N -0.58 0.27 0.23 1.69 4.20 0.67 0.41 115.11 122.00 2pug h GLN 232 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2pug h GLN 232 Cb 0.53 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2pug h GLN 232 CO -0.10 0.18 -0.11 0.82 -0.67 0.00 0.00 178.83 178.95 2pug h ILE 233 N 0.28 0.43 0.00 2.54 1.08 0.07 -3.24 117.51 118.68 2pug h ILE 233 Ca 0.71 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2pug h ILE 233 Cb 1.91 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2pug h ILE 233 CO -0.42 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 177.33 2pug n LEU 234 N -4.98 0.00 -2.27 1.44 4.77 -0.12 -3.16 117.00 112.69 2pug n LEU 234 Ca -0.06 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 2pug n LEU 234 Cb 0.22 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.42 2pug n LEU 234 CO 0.19 0.00 1.36 -0.24 -1.33 0.00 0.00 177.39 177.36 2pug n SER 235 N -0.87 6.32 -3.92 -1.43 2.88 0.14 -4.93 113.62 111.81 2pug n SER 235 Ca 0.14 -3.73 -0.10 0.00 -1.33 0.00 0.00 58.87 53.85 2pug n SER 235 Cb 0.07 -0.91 -0.10 0.00 -0.75 0.00 0.00 64.21 62.51 2pug n SER 235 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pug s GLN 236 N -3.65 0.50 0.04 -1.46 -2.07 -1.19 -4.93 119.66 106.90 2pug s GLN 236 Ca 0.62 -0.62 -0.08 0.00 -1.82 0.00 0.00 55.36 53.47 2pug s GLN 236 Cb 0.50 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.60 2pug s GLN 236 CO 0.03 -0.12 0.89 -0.35 -1.32 0.00 0.00 175.29 174.42 2pug n PRO 237 N 1.13 -0.11 -3.75 9.60 -0.04 -1.26 -4.07 135.00 136.51 2pug n PRO 237 Ca -0.21 0.88 -0.36 0.00 -0.04 0.00 0.00 63.50 63.76 2pug n PRO 237 Cb 0.57 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 2pug n PRO 237 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2pug s HIS 238 N -3.76 3.21 0.12 0.54 5.65 -1.26 -5.10 115.29 114.68 2pug s HIS 238 Ca -0.03 -0.03 0.08 0.00 0.25 0.00 0.00 55.06 55.34 2pug s HIS 238 Cb 0.03 -2.25 -0.04 0.00 -1.18 0.00 0.00 32.58 29.14 2pug s HIS 238 CO 0.15 -0.10 -0.21 -0.98 -0.65 0.00 0.00 174.74 172.95 2pug s ARG 239 N 1.25 1.17 1.08 2.88 1.70 -1.26 -5.01 118.95 120.76 2pug s ARG 239 Ca 0.06 -1.22 -0.13 0.00 -0.47 0.00 0.00 55.73 53.98 2pug s ARG 239 Cb -0.14 -1.41 0.24 0.00 -0.57 0.00 0.00 34.95 33.06 2pug s ARG 239 CO 0.05 0.32 1.06 -1.25 -1.08 0.00 0.00 175.30 174.40 2pug s PRO 240 N -2.07 -0.26 0.00 3.89 0.04 -1.26 -4.96 135.00 130.37 2pug s PRO 240 Ca 0.09 0.68 0.13 0.00 0.04 0.00 0.00 61.00 61.94 2pug s PRO 240 Cb -0.09 -1.64 0.15 0.00 0.04 0.00 0.00 34.50 32.95 2pug s PRO 240 CO 0.05 -3.24 0.98 0.25 0.04 0.00 0.00 177.00 175.08 2pug n THR 241 N -4.56 0.15 -3.58 1.26 -2.24 0.13 -4.97 114.28 100.48 2pug n THR 241 Ca 0.04 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 2pug n THR 241 Cb 0.56 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 2pug n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pug s ALA 242 N -1.09 -1.81 0.00 6.98 0.00 -1.09 -3.08 121.76 121.68 2pug s ALA 242 Ca 0.17 1.69 0.03 0.00 0.00 0.00 0.00 51.96 53.86 2pug s ALA 242 Cb 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2pug s ALA 242 CO 0.17 -0.34 -0.10 0.08 0.00 0.00 0.00 175.76 175.57 2pug s VAL 243 N -0.39 0.78 -0.26 0.00 1.01 -0.01 -0.76 120.40 120.77 2pug s VAL 243 Ca -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2pug s VAL 243 Cb -0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 2pug s VAL 243 CO 0.04 0.16 0.04 0.12 0.00 0.00 0.00 175.10 175.46 2pug s PHE 244 N -0.35 3.08 -0.25 5.22 5.36 -0.24 -1.44 117.98 129.37 2pug s PHE 244 Ca 0.03 -0.90 -0.08 0.00 -0.96 0.00 0.00 56.93 55.02 2pug s PHE 244 Cb -0.04 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 2pug s PHE 244 CO -0.00 -0.54 0.10 0.00 -1.46 0.00 0.00 175.22 173.32 2pug h GLY 246 N 8.01 0.00 -5.17 0.00 0.00 -0.81 -3.13 103.07 101.97 2pug h GLY 246 Ca -0.37 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 2pug h GLY 246 CO 0.59 0.00 -0.30 -0.32 0.00 0.00 0.00 176.54 176.51 2pug s GLY 247 N -3.74 -0.24 0.27 4.60 0.00 -1.25 -4.43 107.32 102.52 2pug s GLY 247 Ca -0.04 0.88 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 2pug s GLY 247 CO 0.44 0.74 1.78 -0.55 0.00 0.00 0.00 173.10 175.50 2pug h ASP 248 N 5.34 0.61 -0.32 1.64 5.19 -1.50 0.46 116.42 127.84 2pug h ASP 248 Ca -0.27 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.14 2pug h ASP 248 Cb 1.18 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 2pug h ASP 248 CO 0.31 0.27 -0.10 0.40 -3.12 0.00 0.00 179.24 177.00 2pug h ILE 249 N 0.69 1.25 -0.47 0.35 1.08 -1.88 0.28 117.51 118.82 2pug h ILE 249 Ca 0.47 -1.13 -0.10 0.00 -0.39 0.00 0.00 64.86 63.71 2pug h ILE 249 Cb 0.63 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.40 2pug h ILE 249 CO -0.34 0.39 -0.12 0.24 -0.69 0.00 0.00 178.15 177.62 2pug h MET 250 N 0.68 0.88 -0.65 2.37 2.86 -1.42 -2.33 114.93 117.31 2pug h MET 250 Ca 0.12 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2pug h MET 250 Cb 0.56 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2pug h MET 250 CO 0.03 0.95 0.38 0.00 1.06 0.00 0.00 176.91 179.33 2pug h ALA 251 N 1.07 0.84 -0.95 6.32 0.00 0.02 0.20 119.26 126.76 2pug h ALA 251 Ca 0.13 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2pug h ALA 251 Cb 0.64 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2pug h ALA 251 CO 0.04 0.33 0.59 1.98 0.00 0.00 0.00 179.25 182.19 2pug h MET 252 N 0.89 0.99 -0.18 0.00 -1.53 0.01 0.36 114.93 115.47 2pug h MET 252 Ca 0.23 -0.06 -0.07 0.00 -3.44 0.00 0.00 59.70 56.36 2pug h MET 252 Cb -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 30.81 2pug h MET 252 CO -0.04 0.66 -0.20 0.78 0.14 0.00 0.00 176.91 178.25 2pug h GLY 253 N 1.02 0.33 1.72 1.39 0.00 -0.33 -2.38 103.07 104.83 2pug h GLY 253 Ca 0.44 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.35 2pug h GLY 253 CO -0.21 0.22 -0.76 0.00 0.00 0.00 0.00 176.54 175.78 2pug h ALA 254 N 1.51 0.63 -0.40 3.60 0.00 0.23 -2.99 119.26 121.85 2pug h ALA 254 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2pug h ALA 254 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pug h ALA 254 CO 0.03 0.82 0.20 -0.07 0.00 0.00 0.00 179.25 180.23 2pug h LEU 255 N 0.17 0.51 -0.09 0.00 4.07 -0.08 -2.65 115.31 117.23 2pug h LEU 255 Ca -0.03 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.86 2pug h LEU 255 Cb 1.34 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.90 2pug h LEU 255 CO 0.12 0.48 -0.24 0.00 -1.08 0.00 0.00 178.44 177.72 2pug h ALA 257 N 0.60 0.19 0.10 0.00 0.00 -1.47 0.78 119.26 119.47 2pug h ALA 257 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2pug h ALA 257 Cb 0.45 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2pug h ALA 257 CO -0.28 -0.42 -0.37 0.00 0.00 0.00 0.00 179.25 178.18 2pug h ALA 258 N 1.18 -0.63 -0.71 0.00 0.00 -1.28 0.17 119.26 117.98 2pug h ALA 258 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2pug h ALA 258 Cb 0.12 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2pug h ALA 258 CO -0.17 -0.92 0.47 0.22 0.00 0.00 0.00 179.25 178.86 2pug h ASP 259 N -0.59 0.44 1.15 0.00 1.82 -1.14 0.31 116.42 118.41 2pug h ASP 259 Ca 0.03 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 2pug h ASP 259 Cb 0.63 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2pug h ASP 259 CO -0.23 0.25 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.07 2pug h GLU 260 N 0.48 0.00 -0.48 0.28 5.08 0.15 -2.13 114.58 117.95 2pug h GLU 260 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2pug h GLU 260 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2pug h GLU 260 CO -0.11 0.25 0.00 -1.33 -1.00 0.00 0.00 179.01 176.81 2pug n MET 261 N -3.31 2.13 -1.14 2.33 2.81 0.36 -4.89 117.12 115.41 2pug n MET 261 Ca 0.01 -1.75 -0.05 0.00 -1.81 0.00 0.00 57.70 54.10 2pug n MET 261 Cb 0.49 -1.38 -0.02 0.00 -0.71 0.00 0.00 33.22 31.60 2pug n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pug n GLY 262 N 1.28 0.74 3.86 3.03 0.00 -0.70 -5.01 105.19 108.39 2pug n GLY 262 Ca 0.16 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2pug n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pug s LEU 263 N -1.10 4.01 -0.20 0.99 1.02 0.85 -4.96 118.68 119.29 2pug s LEU 263 Ca 0.00 1.15 -0.06 0.00 0.02 0.00 0.00 54.13 55.24 2pug s LEU 263 Cb 0.00 -3.97 -0.03 0.00 0.02 0.00 0.00 46.19 42.21 2pug s LEU 263 CO 0.00 -0.24 0.03 -0.13 0.02 0.00 0.00 176.35 176.02 2pug s ARG 264 N -3.25 3.71 -0.21 1.70 1.81 -1.26 -3.71 118.95 117.73 2pug s ARG 264 Ca 0.52 -0.47 -0.04 0.00 -1.72 0.00 0.00 55.73 54.01 2pug s ARG 264 Cb -0.10 -3.15 -0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2pug s ARG 264 CO 0.23 0.04 -0.03 0.08 -0.68 0.00 0.00 175.30 174.94 2pug s VAL 265 N 0.94 3.51 -2.71 3.52 1.01 -1.26 0.22 120.40 125.63 2pug s VAL 265 Ca 0.02 -0.45 0.24 0.00 0.00 0.00 0.00 61.98 61.79 2pug s VAL 265 Cb -0.14 -2.59 0.14 0.00 0.00 0.00 0.00 36.38 33.79 2pug s VAL 265 CO 0.02 0.42 1.22 -0.81 0.00 0.00 0.00 175.10 175.96 2pug n PRO 266 N 4.63 1.99 -0.29 2.72 -0.04 -1.25 -4.67 135.00 138.08 2pug n PRO 266 Ca -0.18 -1.64 0.11 0.00 -0.04 0.00 0.00 63.50 61.75 2pug n PRO 266 Cb 0.51 -1.47 0.25 0.00 -0.04 0.00 0.00 33.50 32.75 2pug n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2pug h GLN 267 N 4.00 0.13 0.06 0.54 7.50 -1.84 -2.77 115.11 122.72 2pug h GLN 267 Ca 0.00 -0.01 -0.36 0.00 0.50 0.00 0.00 58.65 58.78 2pug h GLN 267 Cb 0.92 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.38 2pug h GLN 267 CO 0.00 0.08 -2.07 -0.25 -1.50 0.00 0.00 178.83 175.09 2pug n ASP 268 N -5.32 2.02 -3.84 1.46 8.00 0.59 -4.94 116.55 114.52 2pug n ASP 268 Ca 0.19 0.16 -0.18 0.00 0.71 0.00 0.00 54.79 55.68 2pug n ASP 268 Cb 0.63 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 2pug n ASP 268 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pug s VAL 269 N -2.51 0.28 0.07 2.53 -7.23 0.15 -4.90 120.40 108.79 2pug s VAL 269 Ca -0.29 0.03 -0.21 0.00 -1.81 0.00 0.00 61.98 59.70 2pug s VAL 269 Cb 0.08 -0.35 -0.07 0.00 0.56 0.00 0.00 36.38 36.60 2pug s VAL 269 CO 0.66 0.17 0.62 -0.44 -0.31 0.00 0.00 175.10 175.80 2pug s SER 270 N 0.99 7.11 -0.04 4.85 0.01 -1.18 -3.92 113.70 121.52 2pug s SER 270 Ca -0.10 1.32 0.02 0.00 1.31 0.00 0.00 55.95 58.50 2pug s SER 270 Cb -0.14 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2pug s SER 270 CO -0.01 0.21 -0.09 -0.22 0.41 0.00 0.00 173.24 173.53 2pug s LEU 271 N -0.86 1.63 -0.07 2.44 2.96 0.93 -0.83 118.68 124.89 2pug s LEU 271 Ca 0.31 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2pug s LEU 271 Cb -0.20 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2pug s LEU 271 CO 0.20 0.03 -0.17 -0.51 -1.32 0.00 0.00 176.35 174.59 2pug s ILE 272 N 0.52 1.45 0.00 6.68 2.07 -0.52 -4.28 121.20 127.12 2pug s ILE 272 Ca -0.09 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 2pug s ILE 272 Cb -0.13 -1.28 0.00 0.00 0.13 0.00 0.00 42.46 41.19 2pug s ILE 272 CO 0.02 0.42 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 2pug n GLY 273 N 3.54 2.89 3.63 1.50 0.00 -0.74 -0.02 105.19 115.99 2pug n GLY 273 Ca -0.21 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 2pug n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pug s TYR 274 N 1.26 -1.21 0.00 1.61 6.14 -1.18 -2.86 117.35 121.10 2pug s TYR 274 Ca 0.00 2.22 0.00 0.00 0.64 0.00 0.00 57.07 59.93 2pug s TYR 274 Cb 0.00 0.72 0.00 0.00 0.42 0.00 0.00 41.96 43.10 2pug s TYR 274 CO 0.00 -0.60 0.00 -0.25 0.64 0.00 0.00 175.55 175.34 2pug n ASP 275 N 4.98 0.00 -3.19 4.32 8.00 0.13 -1.41 116.55 129.39 2pug n ASP 275 Ca -0.15 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 2pug n ASP 275 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.67 2pug n ASP 275 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2pug n ASN 276 N 0.00 -7.11 -4.77 -2.24 5.15 -1.12 -2.25 115.26 102.92 2pug n ASN 276 Ca 0.00 -0.44 -0.34 0.00 -0.60 0.00 0.00 54.58 53.21 2pug n ASN 276 Cb 0.00 -5.16 0.03 0.00 -0.53 0.00 0.00 39.78 34.12 2pug n ASN 276 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pug s VAL 277 N -3.21 3.24 0.38 3.44 1.01 -1.26 -4.75 120.40 119.25 2pug s VAL 277 Ca 0.25 0.62 0.22 0.00 0.00 0.00 0.00 61.98 63.08 2pug s VAL 277 Cb -0.04 -3.16 0.37 0.00 0.00 0.00 0.00 36.38 33.55 2pug s VAL 277 CO 0.75 -0.31 1.58 0.03 0.00 0.00 0.00 175.10 177.15 2pug h ARG 278 N 0.33 0.00 -0.02 2.72 3.08 -1.93 -1.38 114.38 117.19 2pug h ARG 278 Ca -0.48 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 2pug h ARG 278 Cb 1.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2pug h ARG 278 CO 0.55 0.00 -0.36 0.27 -1.07 0.00 0.00 179.97 179.36 2pug n ASN 279 N -5.20 1.92 0.28 7.04 2.04 -1.26 -4.58 115.26 115.50 2pug n ASN 279 Ca 0.38 -3.69 0.15 0.00 -0.44 0.00 0.00 54.58 50.98 2pug n ASN 279 Cb 1.32 -0.51 0.80 0.00 -2.53 0.00 0.00 39.78 38.87 2pug n ASN 279 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pug h ALA 280 N 0.76 1.19 0.00 -2.53 0.00 -1.60 -1.05 119.26 116.03 2pug h ALA 280 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pug h ALA 280 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2pug h ALA 280 CO 0.02 0.10 -0.25 -0.09 0.00 0.00 0.00 179.25 179.03 2pug h ARG 281 N 0.00 0.00 -0.75 0.00 1.12 -1.81 -2.13 114.38 110.82 2pug h ARG 281 Ca -0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.70 2pug h ARG 281 Cb 0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.17 2pug h ARG 281 CO 0.01 0.25 0.21 0.66 -3.11 0.00 0.00 179.97 177.99 2pug n TYR 282 N -3.58 2.26 -2.01 2.20 4.01 -0.40 -4.37 117.16 115.27 2pug n TYR 282 Ca -0.01 -1.04 -0.28 0.00 -0.16 0.00 0.00 57.90 56.40 2pug n TYR 282 Cb 0.39 -0.63 0.07 0.00 -0.31 0.00 0.00 39.34 38.85 2pug n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2pug s PHE 283 N -2.78 3.08 -0.28 -0.72 0.40 -0.84 -4.95 117.98 111.89 2pug s PHE 283 Ca 0.51 0.76 0.02 0.00 -0.60 0.00 0.00 56.93 57.62 2pug s PHE 283 Cb 0.41 -3.23 0.08 0.00 0.51 0.00 0.00 43.02 40.78 2pug s PHE 283 CO 0.13 -1.43 -0.02 0.99 0.70 0.00 0.00 175.22 175.59 2pug s THR 284 N -3.39 1.79 0.87 0.64 2.01 -1.26 -1.84 115.64 114.47 2pug s THR 284 Ca 0.60 -1.65 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 2pug s THR 284 Cb -0.11 -2.13 0.18 0.00 0.01 0.00 0.00 72.50 70.44 2pug s THR 284 CO 0.48 -0.30 1.20 -2.16 -0.69 0.00 0.00 174.62 173.15 2pug s PRO 285 N 1.22 1.00 -0.05 4.92 0.04 -1.26 -4.96 135.00 135.92 2pug s PRO 285 Ca 0.00 -0.75 -0.31 0.00 0.04 0.00 0.00 61.00 59.98 2pug s PRO 285 Cb -0.19 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 2pug s PRO 285 CO -0.09 -2.06 1.98 0.00 0.04 0.00 0.00 177.00 176.88 2pug n ALA 286 N -3.40 1.36 -2.21 8.56 0.00 -0.77 -4.84 120.51 119.22 2pug n ALA 286 Ca 0.16 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 2pug n ALA 286 Cb 0.60 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 2pug n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pug s LEU 287 N 4.88 4.26 -0.01 0.00 2.96 -0.96 0.25 118.68 130.07 2pug s LEU 287 Ca 0.92 1.99 -0.30 0.00 -0.22 0.00 0.00 54.13 56.52 2pug s LEU 287 Cb -0.52 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.60 2pug s LEU 287 CO 0.45 -0.84 0.97 -0.89 -1.32 0.00 0.00 176.35 174.72 2pug s THR 288 N 3.67 4.87 0.34 3.68 2.01 -1.26 -4.46 115.64 124.48 2pug s THR 288 Ca 0.64 2.04 -0.17 0.00 0.31 0.00 0.00 61.69 64.51 2pug s THR 288 Cb -0.28 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 67.96 2pug s THR 288 CO 0.23 0.15 0.74 0.28 -0.69 0.00 0.00 174.62 175.33 2pug s THR 289 N 1.06 0.00 -0.23 -0.82 -1.32 -0.54 -1.80 115.64 111.99 2pug s THR 289 Ca 0.51 -1.04 -0.15 0.00 -1.21 0.00 0.00 61.69 59.80 2pug s THR 289 Cb -0.21 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2pug s THR 289 CO 0.27 0.00 0.36 -0.63 -2.21 0.00 0.00 174.62 172.41 2pug s ILE 290 N -3.06 5.21 -0.11 5.08 -1.09 -1.14 0.02 121.20 126.11 2pug s ILE 290 Ca 0.15 0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 58.92 2pug s ILE 290 Cb -0.05 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2pug s ILE 290 CO 0.10 0.22 0.75 -2.28 -1.23 0.00 0.00 174.94 172.51 2pug s HIS 291 N 1.59 3.52 -0.18 3.97 5.65 0.16 0.21 115.29 130.20 2pug s HIS 291 Ca 0.16 1.25 -0.09 0.00 0.25 0.00 0.00 55.06 56.64 2pug s HIS 291 Cb -0.15 -2.89 -0.05 0.00 -1.18 0.00 0.00 32.58 28.31 2pug s HIS 291 CO 0.08 -0.05 0.10 -1.14 -0.65 0.00 0.00 174.74 173.09 2pug s GLN 292 N 1.34 4.00 -0.93 2.88 2.00 -0.95 -1.69 119.66 126.30 2pug s GLN 292 Ca 0.38 -0.26 -0.24 0.00 -2.00 0.00 0.00 55.36 53.24 2pug s GLN 292 Cb -0.17 -3.30 0.04 0.00 0.80 0.00 0.00 33.01 30.37 2pug s GLN 292 CO 0.16 0.36 1.43 -2.14 -0.50 0.00 0.00 175.29 174.60 2pug s PRO 293 N 0.17 3.41 0.01 1.67 0.02 -1.26 -4.81 135.00 134.21 2pug s PRO 293 Ca 0.07 -0.80 -0.20 0.00 0.02 0.00 0.00 61.00 60.09 2pug s PRO 293 Cb -0.12 -5.00 -0.21 0.00 0.02 0.00 0.00 34.50 29.20 2pug s PRO 293 CO -0.01 -2.26 1.14 0.87 -0.33 0.00 0.00 177.00 176.42 2pug h LYS 294 N 10.03 0.39 0.42 5.54 1.57 -1.95 -2.38 116.57 130.19 2pug h LYS 294 Ca 0.05 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2pug h LYS 294 Cb 1.02 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2pug h LYS 294 CO 1.37 1.02 -0.30 -0.44 -0.57 0.00 0.00 179.45 180.53 2pug h ASP 295 N -0.12 -0.77 -0.35 0.86 5.19 -1.89 0.12 116.42 119.46 2pug h ASP 295 Ca -0.05 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 2pug h ASP 295 Cb 1.15 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 2pug h ASP 295 CO 0.09 -0.46 0.24 0.77 -3.12 0.00 0.00 179.24 176.77 2pug h SER 296 N -0.71 0.16 -0.27 6.45 4.64 -1.97 0.41 113.55 122.26 2pug h SER 296 Ca -0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 2pug h SER 296 Cb 0.60 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2pug h SER 296 CO 0.02 0.10 -0.14 0.25 -0.87 0.00 0.00 176.83 176.19 2pug h LEU 297 N 0.18 0.60 0.71 5.97 6.46 -0.73 0.56 115.31 129.06 2pug h LEU 297 Ca 0.16 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 2pug h LEU 297 Cb 0.40 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2pug h LEU 297 CO -0.02 0.88 -0.34 1.23 -0.62 0.00 0.00 178.44 179.57 2pug h GLY 298 N 0.32 -0.99 0.21 3.75 0.00 0.49 -2.35 103.07 104.49 2pug h GLY 298 Ca 0.06 0.37 0.10 0.00 0.00 0.00 0.00 47.33 47.86 2pug h GLY 298 CO 0.04 -0.36 0.09 -2.09 0.00 0.00 0.00 176.54 174.23 2pug h GLU 299 N -1.10 0.22 -0.33 4.80 4.81 -1.05 0.38 114.58 122.29 2pug h GLU 299 Ca -0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2pug h GLU 299 Cb 0.73 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2pug h GLU 299 CO 0.16 0.14 0.22 1.15 -0.73 0.00 0.00 179.01 179.95 2pug h THR 300 N 0.22 1.09 0.00 0.32 2.02 -0.89 -1.58 112.91 114.09 2pug h THR 300 Ca 0.29 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2pug h THR 300 Cb 0.43 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2pug h THR 300 CO -0.39 0.08 -0.00 0.00 0.37 0.00 0.00 175.52 175.58 2pug h ALA 301 N 1.79 -0.01 -0.77 6.16 0.00 -0.42 -2.85 119.26 123.17 2pug h ALA 301 Ca 0.12 -0.32 0.18 0.00 0.00 0.00 0.00 54.91 54.89 2pug h ALA 301 Cb -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2pug h ALA 301 CO -0.03 -0.18 0.52 0.35 0.00 0.00 0.00 179.25 179.91 2pug h PHE 302 N -0.65 0.34 -0.08 0.00 3.57 -0.91 -1.29 116.94 117.93 2pug h PHE 302 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2pug h PHE 302 Cb 0.64 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2pug h PHE 302 CO 0.15 0.11 -0.35 -0.91 -2.23 0.00 0.00 178.31 175.08 2pug h ASN 303 N 0.28 0.44 -0.33 0.41 2.35 -1.26 -0.92 115.58 116.55 2pug h ASN 303 Ca 0.38 -0.64 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2pug h ASN 303 Cb 1.08 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 2pug h ASN 303 CO -0.10 1.01 0.07 0.24 -1.65 0.00 0.00 177.43 177.01 2pug h MET 304 N -0.10 0.19 -0.29 0.81 2.86 -1.13 -0.64 114.93 116.63 2pug h MET 304 Ca -0.02 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2pug h MET 304 Cb 1.00 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 2pug h MET 304 CO 0.07 0.12 -0.12 1.25 1.06 0.00 0.00 176.91 179.30 2pug h LEU 305 N 0.19 -0.40 0.19 1.22 5.85 -1.23 -0.21 115.31 120.93 2pug h LEU 305 Ca 0.15 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2pug h LEU 305 Cb 0.16 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2pug h LEU 305 CO -0.19 -0.15 -0.35 0.25 -0.34 0.00 0.00 178.44 177.66 2pug h LEU 306 N -0.07 -1.00 -0.42 2.25 5.85 -0.41 0.96 115.31 122.47 2pug h LEU 306 Ca 0.15 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.03 2pug h LEU 306 Cb 0.29 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 2pug h LEU 306 CO -0.33 -0.45 -0.54 -0.78 -0.34 0.00 0.00 178.44 176.00 2pug h ASP 307 N -0.63 -1.80 -1.00 1.25 3.58 -0.55 0.85 116.42 118.12 2pug h ASP 307 Ca 0.01 0.24 0.18 0.00 0.42 0.00 0.00 57.03 57.88 2pug h ASP 307 Cb 0.63 0.75 -0.10 0.00 1.72 0.00 0.00 39.33 42.32 2pug h ASP 307 CO -0.16 -0.40 0.61 -0.09 -2.88 0.00 0.00 179.24 176.32 2pug h ARG 308 N -0.38 0.78 0.00 0.28 2.43 -0.75 0.44 114.38 117.18 2pug h ARG 308 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2pug h ARG 308 Cb 0.59 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2pug h ARG 308 CO -0.60 0.51 0.00 -0.89 -1.51 0.00 0.00 179.97 177.48 2pug n ILE 309 N -4.75 0.00 0.01 1.20 5.41 0.14 -2.00 119.36 119.37 2pug n ILE 309 Ca 0.23 0.79 -0.01 0.00 1.00 0.00 0.00 62.75 64.76 2pug n ILE 309 Cb 0.54 -1.54 -0.00 0.00 -0.71 0.00 0.00 39.64 37.92 2pug n ILE 309 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 2pug h VAL 310 N 0.00 0.00 0.00 1.39 3.04 0.60 -2.50 116.25 118.79 2pug h VAL 310 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2pug h VAL 310 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2pug h VAL 310 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 2pug n ASN 311 N -2.31 0.00 -4.21 3.17 4.13 0.15 -4.82 115.26 111.38 2pug n ASN 311 Ca -0.00 -0.17 -0.30 0.00 1.68 0.00 0.00 54.58 55.79 2pug n ASN 311 Cb 0.02 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.19 2pug n ASN 311 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2pug n LYS 312 N -0.64 -1.87 -2.43 3.52 5.02 -0.85 -4.90 118.16 116.02 2pug n LYS 312 Ca 0.01 0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 56.12 2pug n LYS 312 Cb 0.00 -4.08 -0.04 0.00 -0.02 0.00 0.00 35.03 30.90 2pug n LYS 312 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pug s ARG 313 N -7.07 4.52 -0.17 1.97 3.52 -1.02 -4.95 118.95 115.75 2pug s ARG 313 Ca 0.11 1.82 0.12 0.00 -0.13 0.00 0.00 55.73 57.65 2pug s ARG 313 Cb -0.06 -3.07 -0.19 0.00 -1.56 0.00 0.00 34.95 30.07 2pug s ARG 313 CO 0.96 0.09 0.02 0.39 -0.81 0.00 0.00 175.30 175.95 2pug n GLU 314 N 0.93 1.24 -3.27 5.12 -0.58 -1.26 -4.81 120.64 118.01 2pug n GLU 314 Ca 0.00 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.37 2pug n GLU 314 Cb 0.45 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 2pug n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2pug s GLU 315 N -2.39 4.22 0.92 3.49 8.01 -1.26 -5.03 118.70 126.66 2pug s GLU 315 Ca -0.11 0.71 -0.13 0.00 0.01 0.00 0.00 54.97 55.45 2pug s GLU 315 Cb 0.05 -3.27 0.05 0.00 -4.31 0.00 0.00 34.13 26.65 2pug s GLU 315 CO 0.63 0.55 0.57 -0.35 0.01 0.00 0.00 175.26 176.67 2pug n PRO 316 N 2.07 -0.25 -3.60 0.39 -0.04 -1.26 -5.01 135.00 127.30 2pug n PRO 316 Ca -0.09 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 2pug n PRO 316 Cb 0.51 -1.96 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 2pug n PRO 316 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2pug s GLN 317 N -3.75 0.93 -0.01 0.54 0.74 -1.26 -5.03 119.66 111.83 2pug s GLN 317 Ca 0.60 0.14 0.01 0.00 0.05 0.00 0.00 55.36 56.16 2pug s GLN 317 Cb -0.23 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.31 2pug s GLN 317 CO 0.65 -0.28 -0.03 -1.12 -0.55 0.00 0.00 175.29 173.96 2pug s SER 318 N -1.19 0.40 -0.06 6.67 0.01 -1.25 -0.89 113.70 117.39 2pug s SER 318 Ca -0.11 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2pug s SER 318 Cb -0.02 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2pug s SER 318 CO 0.08 0.03 -0.11 -0.63 0.41 0.00 0.00 173.24 173.02 2pug s ILE 319 N 0.02 1.05 0.32 1.44 1.01 0.53 -4.97 121.20 120.60 2pug s ILE 319 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2pug s ILE 319 Cb -0.02 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.38 2pug s ILE 319 CO -0.00 0.34 0.77 -1.61 0.00 0.00 0.00 174.94 174.44 2pug s GLU 320 N 0.72 4.11 0.23 2.79 2.02 -1.26 0.39 118.70 127.71 2pug s GLU 320 Ca -0.14 0.80 0.07 0.00 0.02 0.00 0.00 54.97 55.72 2pug s GLU 320 Cb -0.16 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 2pug s GLU 320 CO 0.03 0.19 -0.09 0.54 0.02 0.00 0.00 175.26 175.94 2pug s VAL 321 N -1.90 1.57 -0.12 2.63 0.11 0.11 -4.87 120.40 117.94 2pug s VAL 321 Ca 0.53 -2.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.44 2pug s VAL 321 Cb -0.12 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2pug s VAL 321 CO 0.18 -0.47 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.35 2pug s HIS 322 N -3.07 1.86 0.54 1.54 3.76 -1.26 -4.27 115.29 114.39 2pug s HIS 322 Ca 0.25 -0.93 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 2pug s HIS 322 Cb 0.02 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.26 2pug s HIS 322 CO 0.08 -0.52 1.10 -1.25 -0.85 0.00 0.00 174.74 173.30 2pug s PRO 323 N 1.28 3.42 -0.01 8.40 0.04 -1.26 -4.65 135.00 142.21 2pug s PRO 323 Ca -0.01 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2pug s PRO 323 Cb -0.14 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2pug s PRO 323 CO -0.05 -0.77 0.24 -0.98 0.04 0.00 0.00 177.00 175.47 2pug s ARG 324 N -3.41 0.56 0.24 4.56 1.70 -0.68 -4.92 118.95 117.01 2pug s ARG 324 Ca 0.70 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.43 2pug s ARG 324 Cb -0.21 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.33 2pug s ARG 324 CO 0.27 -0.14 1.17 -1.17 -1.08 0.00 0.00 175.30 174.35 2pug s LEU 325 N -1.24 4.49 -0.22 -1.89 1.98 -1.26 0.36 118.68 120.90 2pug s LEU 325 Ca -0.13 2.31 0.01 0.00 -2.89 0.00 0.00 54.13 53.43 2pug s LEU 325 Cb -0.06 -3.62 0.05 0.00 0.66 0.00 0.00 46.19 43.22 2pug s LEU 325 CO 0.03 -0.29 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.47 2pug s ILE 326 N -0.66 1.76 -0.30 6.68 -1.09 0.10 -4.86 121.20 122.82 2pug s ILE 326 Ca 0.49 -1.20 -0.24 0.00 -2.23 0.00 0.00 60.65 57.46 2pug s ILE 326 Cb -0.33 -1.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2pug s ILE 326 CO 0.41 0.08 0.83 -1.61 -1.23 0.00 0.00 174.94 173.42 2pug s GLU 327 N 1.32 3.99 0.00 2.79 2.02 -1.26 -1.46 118.70 126.10 2pug s GLU 327 Ca -0.04 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.63 2pug s GLU 327 Cb -0.18 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2pug s GLU 327 CO -0.07 -0.70 0.00 -2.13 0.02 0.00 0.00 175.26 172.37 2pug n ARG 328 N 6.29 0.00 -0.50 1.61 3.00 -1.26 -4.95 116.66 120.85 2pug n ARG 328 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.93 2pug n ARG 328 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.98 2pug n ARG 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2pug n ARG 329 N 0.00 0.34 -0.13 -0.14 1.74 0.14 -4.83 116.66 113.78 2pug n ARG 329 Ca 0.00 -1.53 0.11 0.00 -0.77 0.00 0.00 57.85 55.66 2pug n ARG 329 Cb 0.00 -0.71 0.18 0.00 -1.02 0.00 0.00 32.46 30.90 2pug n ARG 329 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2pug n SER 330 N -0.31 3.27 -4.27 0.55 3.41 -1.15 -4.50 113.62 110.61 2pug n SER 330 Ca 0.05 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.40 2pug n SER 330 Cb 0.73 -0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.35 2pug n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pug s VAL 331 N -1.57 1.87 0.20 -3.33 1.01 -1.26 -0.05 120.40 117.27 2pug s VAL 331 Ca 0.34 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2pug s VAL 331 Cb 0.21 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2pug s VAL 331 CO 0.30 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.77 2pug s ALA 332 N -0.51 2.04 0.46 5.51 0.00 -1.26 -4.98 121.76 123.01 2pug s ALA 332 Ca 0.08 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.18 2pug s ALA 332 Cb -0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 2pug s ALA 332 CO -0.01 0.12 1.20 -0.25 0.00 0.00 0.00 175.76 176.82 2pug n ASP 333 N -0.21 2.11 -5.01 0.00 8.00 -1.26 -4.88 116.55 115.30 2pug n ASP 333 Ca -0.09 1.04 -0.19 0.00 0.71 0.00 0.00 54.79 56.25 2pug n ASP 333 Cb 0.59 -1.47 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 2pug n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2pug s GLY 334 N -0.71 1.78 0.56 0.44 0.00 0.28 -4.93 107.32 104.73 2pug s GLY 334 Ca 0.65 -2.02 0.27 0.00 0.00 0.00 0.00 44.72 43.61 2pug s GLY 334 CO 0.55 -1.61 2.01 -2.55 0.00 0.00 0.00 173.10 171.50 2pug h PRO 335 N 0.23 0.00 -0.51 2.90 0.11 -1.71 -2.21 132.00 130.81 2pug h PRO 335 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2pug h PRO 335 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2pug h PRO 335 CO 0.42 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.40 2pug n PHE 336 N -4.11 0.67 -0.16 0.65 3.01 0.19 -4.64 117.46 113.07 2pug n PHE 336 Ca 0.07 -0.35 -0.06 0.00 1.01 0.00 0.00 57.45 58.11 2pug n PHE 336 Cb 0.53 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.99 2pug n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2pug h ARG 337 N 4.21 -0.20 0.00 -1.08 2.43 -1.56 -1.70 114.38 116.48 2pug h ARG 337 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2pug h ARG 337 Cb 0.96 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2pug h ARG 337 CO 0.00 -0.13 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.84 2pug h ASP 338 N -0.21 0.00 -1.89 -3.80 3.32 -1.84 -3.34 116.42 108.66 2pug h ASP 338 Ca 0.20 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.49 2pug h ASP 338 Cb 0.55 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.92 2pug h ASP 338 CO -0.61 0.05 1.61 -1.22 -1.72 0.00 0.00 179.24 177.35 2pug n TYR 339 N -4.36 3.65 -1.93 4.55 4.02 -0.64 -5.24 117.16 117.21 2pug n TYR 339 Ca -0.03 -3.01 0.00 0.00 -0.01 0.00 0.00 57.90 54.85 2pug n TYR 339 Cb 0.13 -1.95 0.00 0.00 -0.02 0.00 0.00 39.34 37.50 2pug n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39