#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bun s GLU 6 N 0.00 3.14 0.55 1.96 2.56 -1.26 -4.98 118.70 120.67 2bun s GLU 6 Ca 0.00 1.22 -0.21 0.00 0.00 0.00 0.00 54.97 55.98 2bun s GLU 6 Cb 0.00 -2.01 -0.05 0.00 2.00 0.00 0.00 34.13 34.08 2bun s GLU 6 CO 0.00 -0.96 1.34 0.00 -0.56 0.00 0.00 175.26 175.08 2bun n ALA 7 N -2.26 1.52 -1.78 6.30 0.00 -1.26 -4.98 120.51 118.05 2bun n ALA 7 Ca 0.09 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2bun n ALA 7 Cb 0.53 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2bun n ALA 7 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bun s ASP 8 N -0.94 6.19 0.53 0.00 -1.08 -1.26 -4.93 116.67 115.18 2bun s ASP 8 Ca 0.72 2.10 0.20 0.00 -0.52 0.00 0.00 52.55 55.05 2bun s ASP 8 Cb -0.42 -2.58 1.36 0.00 -1.46 0.00 0.00 42.92 39.82 2bun s ASP 8 CO 0.49 -0.89 2.12 -0.37 0.52 0.00 0.00 175.17 177.03 2bun h VAL 9 N 1.62 0.88 -2.96 1.11 -1.51 -2.06 -3.48 116.25 109.85 2bun h VAL 9 Ca -0.49 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.34 2bun h VAL 9 Cb 1.24 0.93 -0.09 0.00 -2.13 0.00 0.00 31.29 31.24 2bun h VAL 9 CO 0.59 0.00 -0.48 0.35 -1.23 0.00 0.00 177.57 176.80 2bun n THR 10 N -4.42 0.00 0.17 7.19 -2.24 -1.26 -4.39 114.28 109.34 2bun n THR 10 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 2bun n THR 10 Cb 0.22 -0.46 0.15 0.00 -2.10 0.00 0.00 70.33 68.15 2bun n THR 10 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2bun h MET 11 N -1.23 0.00 -5.20 -0.78 2.86 -1.93 -3.49 114.93 105.15 2bun h MET 11 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2bun h MET 11 Cb 1.31 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.89 2bun h MET 11 CO 0.01 0.37 -1.26 0.25 1.06 0.00 0.00 176.91 177.34 2bun n THR 12 N -3.26-11.31 -1.35 2.22 -2.24 -1.26 -4.80 114.28 92.28 2bun n THR 12 Ca 0.02 2.18 -0.38 0.00 -2.27 0.00 0.00 64.05 63.59 2bun n THR 12 Cb 0.63 -6.25 -0.02 0.00 -2.10 0.00 0.00 70.33 62.59 2bun n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bun n GLY 13 N 1.41 3.94 0.00 3.38 0.00 -1.26 -4.63 105.19 108.03 2bun n GLY 13 Ca -0.23 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2bun n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bun n SER 14 N 5.00 0.00 -2.98 1.61 2.88 -1.26 -4.91 113.62 113.96 2bun n SER 14 Ca 0.61 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 58.00 2bun n SER 14 Cb 0.29 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2bun n ASP 15 N -0.67 -0.90 -4.47 -3.46 5.68 -1.26 -5.07 116.55 106.39 2bun n ASP 15 Ca 0.00 -3.20 -0.26 0.00 -0.50 0.00 0.00 54.79 50.83 2bun n ASP 15 Cb 0.00 0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 40.43 2bun n ASP 15 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bun s LEU 16 N -1.81 2.61 -0.01 -2.12 2.01 -1.18 -3.94 118.68 114.23 2bun s LEU 16 Ca 0.32 -0.84 -0.15 0.00 0.01 0.00 0.00 54.13 53.48 2bun s LEU 16 Cb 0.27 -1.28 0.02 0.00 0.01 0.00 0.00 46.19 45.22 2bun s LEU 16 CO -0.11 0.09 0.32 -0.69 1.01 0.00 0.00 176.35 176.98 2bun s VAL 17 N -1.89 0.06 -0.18 -1.59 1.01 0.10 -0.07 120.40 117.84 2bun s VAL 17 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2bun s VAL 17 Cb -0.07 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2bun s VAL 17 CO 0.12 -0.27 -0.08 -0.44 0.00 0.00 0.00 175.10 174.44 2bun s SER 18 N -1.41 3.05 -0.31 3.32 0.01 0.14 -0.70 113.70 117.80 2bun s SER 18 Ca -0.13 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.24 2bun s SER 18 Cb -0.05 -1.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 2bun s SER 18 CO 0.04 -0.16 0.42 0.00 0.41 0.00 0.00 173.24 173.95 2bun s TYR 21 N 1.26 2.45 -0.12 0.00 -0.85 0.73 -3.54 117.35 117.28 2bun s TYR 21 Ca 0.01 -0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 56.23 2bun s TYR 21 Cb -0.21 -1.10 -0.03 0.00 0.38 0.00 0.00 41.96 41.00 2bun s TYR 21 CO -0.01 0.64 0.02 0.50 -1.52 0.00 0.00 175.55 175.18 2bun s ARG 22 N -3.40 3.38 0.03 -3.49 3.52 0.65 -2.18 118.95 117.47 2bun s ARG 22 Ca 0.29 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.38 2bun s ARG 22 Cb -0.06 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2bun s ARG 22 CO 0.16 0.52 0.25 -1.54 -0.81 0.00 0.00 175.30 173.87 2bun s SER 23 N -0.36 -0.05 -0.76 -2.12 1.04 0.72 0.27 113.70 112.43 2bun s SER 23 Ca 0.08 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2bun s SER 23 Cb -0.12 0.31 0.28 0.00 0.10 0.00 0.00 66.02 66.59 2bun s SER 23 CO 0.02 -0.55 1.01 0.18 0.98 0.00 0.00 173.24 174.88 2bun n LEU 24 N 0.78 4.69 -0.45 2.42 7.99 0.31 0.42 117.00 133.15 2bun n LEU 24 Ca -0.19 -5.42 -0.06 0.00 -0.01 0.00 0.00 56.01 50.32 2bun n LEU 24 Cb 0.58 -0.83 -0.01 0.00 -0.11 0.00 0.00 43.42 43.06 2bun n LEU 24 CO 0.22 2.01 0.12 0.00 -1.51 0.00 0.00 177.39 178.23 2bun n ALA 25 N 0.78 -0.11 -1.72 -1.18 0.00 -0.56 -4.19 120.51 113.52 2bun n ALA 25 Ca 0.30 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 2bun n ALA 25 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun n ALA 26 N 0.45 2.57 0.26 0.00 0.00 -1.26 -4.77 120.51 117.76 2bun n ALA 26 Ca 0.03 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.90 2bun n ALA 26 Cb -0.01 -2.48 0.14 0.00 0.00 0.00 0.00 19.45 17.10 2bun n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bun n PRO 27 N 3.19 0.06 -0.07 0.00 -0.04 -1.26 -1.49 135.00 135.38 2bun n PRO 27 Ca 0.13 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 2bun n PRO 27 Cb 0.35 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.55 2bun n PRO 27 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bun n ASP 28 N -1.35 2.74 -4.78 3.54 5.75 -1.26 -4.91 116.55 116.28 2bun n ASP 28 Ca 0.02 -1.89 -0.37 0.00 -0.01 0.00 0.00 54.79 52.55 2bun n ASP 28 Cb 0.05 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2bun s LEU 29 N -1.79 4.29 -0.08 -2.12 1.43 -0.56 -5.05 118.68 114.80 2bun s LEU 29 Ca 0.33 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 2bun s LEU 29 Cb 0.21 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2bun s LEU 29 CO 0.31 -0.17 -0.01 0.42 0.23 0.00 0.00 176.35 177.13 2bun s THR 30 N -1.63 4.22 0.28 5.49 -4.23 -1.26 -4.99 115.64 113.53 2bun s THR 30 Ca 0.52 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2bun s THR 30 Cb -0.20 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2bun s THR 30 CO 0.25 0.60 1.78 0.25 -0.54 0.00 0.00 174.62 176.96 2bun h LEU 31 N 5.17 0.70 -1.32 4.79 5.85 -1.99 0.14 115.31 128.66 2bun h LEU 31 Ca -0.50 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 2bun h LEU 31 Cb 1.19 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2bun h LEU 31 CO 0.54 0.28 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.81 2bun h ARG 32 N 0.74 0.42 -0.11 1.25 9.65 -1.98 -0.07 114.38 124.28 2bun h ARG 32 Ca 0.52 -0.09 -0.16 0.00 -1.10 0.00 0.00 59.98 59.16 2bun h ARG 32 Cb 0.74 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2bun h ARG 32 CO -0.36 0.47 -0.61 0.22 2.80 0.00 0.00 179.97 182.49 2bun h ASP 33 N 0.41 0.44 -0.33 -3.80 3.58 -1.19 0.21 116.42 115.75 2bun h ASP 33 Ca 0.09 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 2bun h ASP 33 Cb 0.31 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2bun h ASP 33 CO 0.01 0.95 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.19 2bun h LEU 34 N 0.29 0.71 -0.32 2.28 -0.00 0.22 0.27 115.31 118.76 2bun h LEU 34 Ca -0.01 -0.19 -0.16 0.00 -0.00 0.00 0.00 57.88 57.53 2bun h LEU 34 Cb 1.15 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2bun h LEU 34 CO 0.10 0.82 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.87 2bun h LEU 35 N 0.67 0.92 -0.74 1.67 -0.00 -0.72 0.22 115.31 117.33 2bun h LEU 35 Ca 0.12 -0.50 -0.09 0.00 -0.00 0.00 0.00 57.88 57.42 2bun h LEU 35 Cb 0.51 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2bun h LEU 35 CO 0.03 1.24 -0.03 0.44 -0.00 0.00 0.00 178.44 180.12 2bun h ASP 36 N 0.63 0.91 0.44 -0.43 3.32 -0.25 -0.95 116.42 120.09 2bun h ASP 36 Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2bun h ASP 36 Cb 1.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2bun h ASP 36 CO 0.10 0.99 -0.48 0.40 -1.72 0.00 0.00 179.24 178.52 2bun h ILE 37 N 0.86 0.05 -0.87 0.35 2.04 -0.19 -2.03 117.51 117.72 2bun h ILE 37 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 2bun h ILE 37 Cb 0.54 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2bun h ILE 37 CO 0.03 0.00 0.44 1.62 0.00 0.00 0.00 178.15 180.24 2bun h VAL 38 N -0.94 1.26 -0.61 1.67 3.04 -0.37 0.39 116.25 120.69 2bun h VAL 38 Ca -0.05 -0.69 -0.06 0.00 -1.01 0.00 0.00 66.70 64.89 2bun h VAL 38 Cb 0.83 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 2bun h VAL 38 CO -0.09 0.30 0.15 -0.33 -1.01 0.00 0.00 177.57 176.59 2bun h GLU 39 N 1.23 0.96 -0.03 4.17 5.08 -1.16 -0.27 114.58 124.55 2bun h GLU 39 Ca 0.30 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2bun h GLU 39 Cb 0.08 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2bun h GLU 39 CO -0.04 0.85 -0.62 1.15 -1.00 0.00 0.00 179.01 179.35 2bun h THR 40 N 0.92 1.39 0.15 1.13 2.02 -0.72 -3.30 112.91 114.49 2bun h THR 40 Ca 0.20 -2.02 0.01 0.00 0.77 0.00 0.00 66.41 65.37 2bun h THR 40 Cb 0.33 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2bun h THR 40 CO -0.00 0.60 -0.22 -1.28 0.37 0.00 0.00 175.52 174.98 2bun h SER 41 N 0.02 -0.62 -0.38 4.18 0.87 -0.00 -2.73 113.55 114.88 2bun h SER 41 Ca -0.07 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2bun h SER 41 Cb 1.30 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.47 2bun h SER 41 CO 0.12 -0.32 0.09 0.06 -0.53 0.00 0.00 176.83 176.25 2bun h GLN 42 N -0.44 0.70 -0.41 2.24 -0.00 -1.19 -0.06 115.11 115.95 2bun h GLN 42 Ca 0.02 -0.14 -0.12 0.00 -0.00 0.00 0.00 58.65 58.41 2bun h GLN 42 Cb 0.44 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.80 2bun h GLN 42 CO -0.10 0.66 -0.23 0.00 -0.00 0.00 0.00 178.83 179.15 2bun h ALA 43 N 1.42 0.81 -0.28 0.06 0.00 -1.60 0.21 119.26 119.89 2bun h ALA 43 Ca 0.15 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2bun h ALA 43 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bun h ALA 43 CO 0.00 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.79 2bun h HIS 44 N 0.72 0.90 -0.41 0.00 -0.00 -1.13 -2.36 115.15 112.87 2bun h HIS 44 Ca 0.10 -0.29 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 2bun h HIS 44 Cb 0.77 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 2bun h HIS 44 CO 0.04 1.06 0.26 -0.91 -0.00 0.00 0.00 177.93 178.38 2bun h ASN 45 N 0.48 0.44 -0.81 3.26 4.21 -0.60 0.64 115.58 123.20 2bun h ASN 45 Ca 0.03 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2bun h ASN 45 Cb 0.94 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 38.00 2bun h ASN 45 CO 0.08 0.32 0.47 0.00 -1.29 0.00 0.00 177.43 177.02 2bun h ALA 46 N 1.16 1.03 -0.22 -0.83 0.00 -0.61 0.38 119.26 120.16 2bun h ALA 46 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2bun h ALA 46 Cb -0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2bun h ALA 46 CO -0.04 0.50 -0.16 -0.09 0.00 0.00 0.00 179.25 179.46 2bun h ARG 47 N 1.11 0.50 0.00 0.00 1.12 -0.88 -2.88 114.38 113.35 2bun h ARG 47 Ca 0.29 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2bun h ARG 47 Cb -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2bun h ARG 47 CO -0.05 0.81 0.00 0.00 -3.11 0.00 0.00 179.97 177.61 2bun n ALA 48 N -2.43 2.66 -1.38 2.80 0.00 0.22 -4.86 120.51 117.51 2bun n ALA 48 Ca -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 2bun n ALA 48 Cb 0.38 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2bun n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bun n GLN 49 N -0.99 -0.48 -2.78 0.00 6.02 0.20 -4.72 117.38 114.63 2bun n GLN 49 Ca 0.23 0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 57.46 2bun n GLN 49 Cb 0.10 -4.46 -0.04 0.00 1.02 0.00 0.00 30.24 26.87 2bun n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bun s LEU 50 N -1.61 4.44 0.09 1.08 1.02 0.11 -4.81 118.68 119.00 2bun s LEU 50 Ca 0.00 1.66 0.06 0.00 0.02 0.00 0.00 54.13 55.87 2bun s LEU 50 Cb 0.00 -3.50 -0.04 0.00 0.02 0.00 0.00 46.19 42.67 2bun s LEU 50 CO 0.00 -0.13 -0.06 0.42 0.02 0.00 0.00 176.35 176.61 2bun s THR 51 N 0.40 3.66 0.22 5.49 -4.23 0.16 -4.32 115.64 117.02 2bun s THR 51 Ca 0.47 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.66 2bun s THR 51 Cb -0.22 -2.72 0.07 0.00 1.34 0.00 0.00 72.50 70.97 2bun s THR 51 CO 0.28 0.14 0.96 -0.83 -0.54 0.00 0.00 174.62 174.63 2bun s GLY 52 N -2.17 0.10 -0.00 3.99 0.00 -0.18 0.47 107.32 109.52 2bun s GLY 52 Ca 0.23 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2bun s GLY 52 CO 0.15 1.31 1.19 0.00 0.00 0.00 0.00 173.10 175.75 2bun s ALA 53 N -2.46 -2.08 0.06 3.20 0.00 -1.19 -0.60 121.76 118.69 2bun s ALA 53 Ca 0.18 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 2bun s ALA 53 Cb -0.03 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.53 2bun s ALA 53 CO 0.06 -0.98 0.71 -0.48 0.00 0.00 0.00 175.76 175.07 2bun s LEU 54 N -2.85 -0.52 -0.24 0.00 0.05 -1.04 -2.51 118.68 111.57 2bun s LEU 54 Ca 0.13 0.15 -0.02 0.00 0.05 0.00 0.00 54.13 54.44 2bun s LEU 54 Cb 0.03 2.41 0.07 0.00 -2.05 0.00 0.00 46.19 46.65 2bun s LEU 54 CO -0.03 -0.79 0.04 -0.36 -0.55 0.00 0.00 176.35 174.66 2bun s PHE 55 N -3.00 1.49 -0.18 3.48 0.08 0.10 -3.94 117.98 116.02 2bun s PHE 55 Ca -0.00 -1.30 -0.04 0.00 0.12 0.00 0.00 56.93 55.70 2bun s PHE 55 Cb -0.01 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2bun s PHE 55 CO -0.07 -0.73 -0.02 -0.47 -0.10 0.00 0.00 175.22 173.83 2bun s TYR 56 N 1.70 3.03 0.05 0.36 6.14 -1.26 -1.34 117.35 126.03 2bun s TYR 56 Ca 0.02 -0.38 0.07 0.00 0.64 0.00 0.00 57.07 57.41 2bun s TYR 56 Cb -0.17 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.16 2bun s TYR 56 CO -0.13 -0.14 -0.19 -1.12 0.64 0.00 0.00 175.55 174.61 2bun s SER 57 N 0.67 2.29 -0.54 4.32 0.01 -0.74 -4.98 113.70 114.73 2bun s SER 57 Ca -0.01 -0.53 -0.26 0.00 1.31 0.00 0.00 55.95 56.45 2bun s SER 57 Cb -0.14 -0.17 -0.08 0.00 0.21 0.00 0.00 66.02 65.84 2bun s SER 57 CO 0.02 0.11 2.43 1.67 0.41 0.00 0.00 173.24 177.88 2bun n GLN 58 N 1.74 0.96 0.00 12.44 7.27 -1.26 -2.49 117.38 136.04 2bun n GLN 58 Ca -0.18 -0.10 0.00 0.00 0.07 0.00 0.00 57.00 56.79 2bun n GLN 58 Cb 0.54 -3.43 0.00 0.00 2.41 0.00 0.00 30.24 29.75 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bun n GLY 59 N 6.11 2.05 3.60 1.69 0.00 -1.26 -5.03 105.19 112.35 2bun n GLY 59 Ca 0.39 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2bun n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bun s VAL 60 N 0.00 3.93 -0.41 1.61 0.11 -1.04 -1.50 120.40 123.11 2bun s VAL 60 Ca 0.00 0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 59.86 2bun s VAL 60 Cb 0.00 -4.27 0.04 0.00 -1.53 0.00 0.00 36.38 30.62 2bun s VAL 60 CO 0.00 -0.82 0.28 0.12 -3.33 0.00 0.00 175.10 171.35 2bun s PHE 61 N 5.36 3.25 -0.16 1.54 5.36 0.17 -1.79 117.98 131.71 2bun s PHE 61 Ca 0.59 -0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 55.67 2bun s PHE 61 Cb -0.13 -2.68 -0.00 0.00 -0.34 0.00 0.00 43.02 39.87 2bun s PHE 61 CO 0.32 -0.68 -0.14 0.12 -1.46 0.00 0.00 175.22 173.39 2bun s PHE 62 N 1.60 2.81 0.02 10.12 5.36 -0.45 -0.20 117.98 137.24 2bun s PHE 62 Ca 0.03 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.01 2bun s PHE 62 Cb -0.20 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2bun s PHE 62 CO 0.07 -0.46 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.68 2bun s GLN 63 N 0.85 0.32 0.09 10.12 -0.21 -0.93 0.01 119.66 129.92 2bun s GLN 63 Ca -0.04 -0.48 -0.05 0.00 0.02 0.00 0.00 55.36 54.81 2bun s GLN 63 Cb -0.15 -0.08 -0.02 0.00 1.00 0.00 0.00 33.01 33.76 2bun s GLN 63 CO -0.00 0.00 0.10 1.67 -2.12 0.00 0.00 175.29 174.94 2bun s TRP 64 N -1.00 0.40 -0.04 0.91 -2.14 -1.04 -0.20 118.94 115.83 2bun s TRP 64 Ca -0.09 -0.86 -0.05 0.00 2.66 0.00 0.00 56.10 57.75 2bun s TRP 64 Cb -0.07 -0.23 0.01 0.00 -3.10 0.00 0.00 33.47 30.08 2bun s TRP 64 CO -0.00 -0.50 0.14 -0.48 -2.66 0.00 0.00 176.95 173.44 2bun s LEU 65 N -2.92 1.49 -0.21 -4.66 2.34 -0.99 -3.20 118.68 110.54 2bun s LEU 65 Ca 0.09 0.19 -0.06 0.00 0.06 0.00 0.00 54.13 54.41 2bun s LEU 65 Cb 0.06 0.51 -0.03 0.00 -0.56 0.00 0.00 46.19 46.17 2bun s LEU 65 CO -0.08 -0.11 0.04 -1.61 -1.06 0.00 0.00 176.35 173.54 2bun s GLU 66 N -0.20 3.76 0.18 1.48 2.02 0.18 -2.50 118.70 123.61 2bun s GLU 66 Ca -0.03 -0.45 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 2bun s GLU 66 Cb -0.02 -3.19 0.07 0.00 0.10 0.00 0.00 34.13 31.09 2bun s GLU 66 CO 0.00 0.06 1.02 0.20 0.02 0.00 0.00 175.26 176.56 2bun s GLY 67 N 0.93 0.01 0.12 -1.39 0.00 0.12 -0.67 107.32 106.44 2bun s GLY 67 Ca 0.03 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.24 2bun s GLY 67 CO 0.02 1.64 1.40 -1.58 0.00 0.00 0.00 173.10 174.58 2bun s HIS 68 N -2.47 3.23 0.18 1.90 2.46 -1.25 0.03 115.29 119.37 2bun s HIS 68 Ca 0.19 0.93 0.01 0.00 0.47 0.00 0.00 55.06 56.66 2bun s HIS 68 Cb -0.02 -3.70 0.46 0.00 -0.13 0.00 0.00 32.58 29.19 2bun s HIS 68 CO 0.04 -2.45 0.93 -2.30 -2.47 0.00 0.00 174.74 168.50 2bun n PRO 69 N 3.97 -0.05 0.17 2.88 -0.01 -1.25 0.11 135.00 140.82 2bun n PRO 69 Ca 0.12 0.89 0.03 0.00 -0.01 0.00 0.00 63.50 64.52 2bun n PRO 69 Cb 0.42 -1.42 0.27 0.00 -0.01 0.00 0.00 33.50 32.76 2bun n PRO 69 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2bun h ALA 70 N 1.19 1.00 -0.28 3.55 0.00 -1.94 0.21 119.26 122.99 2bun h ALA 70 Ca 0.36 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2bun h ALA 70 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2bun h ALA 70 CO -0.56 0.59 -0.37 0.00 0.00 0.00 0.00 179.25 178.91 2bun h ALA 71 N 1.53 0.42 -0.56 0.00 0.00 -0.69 0.16 119.26 120.11 2bun h ALA 71 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2bun h ALA 71 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2bun h ALA 71 CO 0.06 0.50 0.19 0.28 0.00 0.00 0.00 179.25 180.28 2bun h VAL 72 N 0.48 1.23 -0.12 0.00 2.07 -1.18 -1.62 116.25 117.12 2bun h VAL 72 Ca 0.03 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 2bun h VAL 72 Cb 0.96 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2bun h VAL 72 CO 0.09 0.29 -0.49 0.00 0.02 0.00 0.00 177.57 177.48 2bun h ALA 73 N 1.05 0.94 -0.22 1.67 0.00 -0.44 0.47 119.26 122.73 2bun h ALA 73 Ca 0.18 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2bun h ALA 73 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2bun h ALA 73 CO -0.01 0.66 0.04 1.49 0.00 0.00 0.00 179.25 181.43 2bun h GLU 74 N 0.25 0.13 -0.17 0.00 4.81 -0.28 0.67 114.58 119.99 2bun h GLU 74 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2bun h GLU 74 Cb 0.96 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2bun h GLU 74 CO 0.08 0.08 -0.04 0.28 -0.73 0.00 0.00 179.01 178.68 2bun h VAL 75 N 0.13 0.83 -0.21 0.32 2.07 -0.83 -0.83 116.25 117.73 2bun h VAL 75 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2bun h VAL 75 Cb 0.09 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2bun h VAL 75 CO -0.13 0.00 -0.06 0.24 0.02 0.00 0.00 177.57 177.65 2bun h MET 76 N -0.00 -0.01 -0.55 1.57 2.86 0.52 0.22 114.93 119.54 2bun h MET 76 Ca 0.08 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2bun h MET 76 Cb 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2bun h MET 76 CO -0.17 -0.00 0.25 0.77 1.06 0.00 0.00 176.91 178.82 2bun h SER 77 N -0.01 0.33 0.09 1.22 0.02 0.71 0.57 113.55 116.48 2bun h SER 77 Ca 0.10 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2bun h SER 77 Cb 0.16 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2bun h SER 77 CO -0.22 0.22 -0.04 0.45 -1.14 0.00 0.00 176.83 176.10 2bun h HIS 78 N 0.48 -0.11 -0.49 3.45 3.86 -0.75 -3.13 115.15 118.45 2bun h HIS 78 Ca 0.26 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2bun h HIS 78 Cb 0.22 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 2bun h HIS 78 CO -0.12 0.01 0.14 0.82 0.86 0.00 0.00 177.93 179.64 2bun h ILE 79 N -0.21 1.23 0.00 2.45 2.04 -0.27 -2.19 117.51 120.57 2bun h ILE 79 Ca -0.01 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2bun h ILE 79 Cb 0.17 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2bun h ILE 79 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.46 2bun n GLN 80 N -4.50 0.10 -0.25 2.37 1.13 0.19 -1.45 117.38 114.98 2bun n GLN 80 Ca 0.01 0.46 -0.04 0.00 -1.94 0.00 0.00 57.00 55.48 2bun n GLN 80 Cb 0.20 -1.75 0.04 0.00 0.11 0.00 0.00 30.24 28.84 2bun n GLN 80 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bun n ARG 81 N -1.95 1.30 -0.55 -1.09 3.00 -0.82 -4.99 116.66 111.57 2bun n ARG 81 Ca 0.01 -0.62 -0.18 0.00 -0.01 0.00 0.00 57.85 57.05 2bun n ARG 81 Cb 0.12 -1.28 -0.00 0.00 0.00 0.00 0.00 32.46 31.31 2bun n ARG 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2bun n ASP 82 N 0.16 -1.15 0.00 0.55 2.03 -0.53 -4.84 116.55 112.77 2bun n ASP 82 Ca 0.12 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.78 2bun n ASP 82 Cb 0.72 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2bun n ARG 83 N 0.55 0.00 -0.75 -0.67 1.85 -1.26 -4.95 116.66 111.43 2bun n ARG 83 Ca 0.05 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.98 2bun n ARG 83 Cb 0.16 0.00 0.38 0.00 -1.05 0.00 0.00 32.46 31.95 2bun n ARG 83 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2bun n ARG 84 N 0.00 4.28 -0.44 2.89 3.00 -1.26 -4.96 116.66 120.16 2bun n ARG 84 Ca 0.00 -2.98 0.00 0.00 -0.01 0.00 0.00 57.85 54.86 2bun n ARG 84 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 32.46 30.39 2bun n ARG 84 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2bun n HIS 85 N 0.89 -0.24 -3.81 -1.55 1.44 -1.26 -4.74 115.22 105.95 2bun n HIS 85 Ca 0.27 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.73 2bun n HIS 85 Cb 1.03 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.97 2bun n HIS 85 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2bun s SER 86 N 0.98 1.86 0.00 4.39 0.01 -1.26 -3.98 113.70 115.69 2bun s SER 86 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2bun s SER 86 Cb 0.00 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2bun s SER 86 CO 0.00 -0.18 0.00 0.59 0.41 0.00 0.00 173.24 174.06 2bun n ASN 87 N 5.08 0.00 -3.67 2.44 3.02 -1.26 -0.53 115.26 120.34 2bun n ASN 87 Ca -0.09 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 2bun n ASN 87 Cb 0.50 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2bun n VAL 88 N 0.00 -3.31 -3.33 2.41 3.14 -1.25 -4.91 118.33 111.08 2bun n VAL 88 Ca 0.00 0.02 -0.45 0.00 -2.96 0.00 0.00 64.34 60.94 2bun n VAL 88 Cb 0.00 -2.97 -0.06 0.00 -1.06 0.00 0.00 33.84 29.75 2bun n VAL 88 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2bun s GLU 89 N -4.09 2.99 0.10 1.45 2.56 0.14 -4.90 118.70 116.95 2bun s GLU 89 Ca 0.12 -1.51 -0.22 0.00 0.00 0.00 0.00 54.97 53.35 2bun s GLU 89 Cb -0.01 -4.22 -0.07 0.00 2.00 0.00 0.00 34.13 31.83 2bun s GLU 89 CO 0.87 -1.20 1.37 0.82 -0.56 0.00 0.00 175.26 176.56 2bun h ILE 90 N 5.83 0.00 0.00 -3.70 1.08 -1.87 0.19 117.51 119.04 2bun h ILE 90 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2bun h ILE 90 Cb 1.10 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2bun h ILE 90 CO 0.97 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 178.61 2bun n LEU 91 N -4.53 0.00 -3.81 1.44 4.77 -1.26 -3.50 117.00 110.11 2bun n LEU 91 Ca -0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 2bun n LEU 91 Cb 0.21 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 2bun n LEU 91 CO -0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 175.63 2bun s ALA 92 N 0.00 0.97 -0.23 -1.18 0.00 -1.23 -5.05 121.76 115.04 2bun s ALA 92 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2bun s ALA 92 Cb 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.28 2bun s ALA 92 CO 0.00 -0.60 -0.07 -1.21 0.00 0.00 0.00 175.76 173.88 2bun s GLU 93 N 1.86 1.76 -0.06 0.00 2.02 -1.26 -0.08 118.70 122.94 2bun s GLU 93 Ca 0.04 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.09 2bun s GLU 93 Cb -0.13 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2bun s GLU 93 CO -0.07 -0.55 -0.18 -1.83 0.02 0.00 0.00 175.26 172.65 2bun s GLU 94 N 1.38 2.64 -0.26 1.61 -1.05 0.59 -4.95 118.70 118.65 2bun s GLU 94 Ca -0.05 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.73 2bun s GLU 94 Cb -0.18 -2.34 0.01 0.00 -0.44 0.00 0.00 34.13 31.18 2bun s GLU 94 CO -0.07 0.48 0.97 -1.12 0.95 0.00 0.00 175.26 176.47 2bun s SER 95 N -0.37 6.96 0.52 0.83 0.01 -1.26 0.24 113.70 120.63 2bun s SER 95 Ca 0.03 1.16 0.03 0.00 1.31 0.00 0.00 55.95 58.49 2bun s SER 95 Cb -0.12 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2bun s SER 95 CO 0.02 -0.66 0.18 0.27 0.41 0.00 0.00 173.24 173.46 2bun s ILE 96 N 3.16 1.40 -1.21 1.44 -4.36 0.89 -4.90 121.20 117.62 2bun s ILE 96 Ca 0.41 -1.78 0.11 0.00 -0.26 0.00 0.00 60.65 59.13 2bun s ILE 96 Cb -0.14 -2.18 0.05 0.00 1.25 0.00 0.00 42.46 41.43 2bun s ILE 96 CO 0.09 0.00 0.76 0.00 0.24 0.00 0.00 174.94 176.03 2bun n ALA 97 N -1.48 2.66 -0.71 2.27 0.00 -1.26 -3.12 120.51 118.88 2bun n ALA 97 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2bun n ALA 97 Cb 0.66 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2bun n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bun n LYS 98 N 0.23 0.00 -1.52 0.00 0.00 -1.26 -4.70 118.16 110.91 2bun n LYS 98 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.33 2bun n LYS 98 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.28 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2bun n ARG 99 N -0.28 -0.27 -0.13 1.64 0.63 -1.26 -4.90 116.66 112.10 2bun n ARG 99 Ca 0.00 0.43 -0.28 0.00 -0.92 0.00 0.00 57.85 57.08 2bun n ARG 99 Cb 0.00 -4.11 -0.09 0.00 0.45 0.00 0.00 32.46 28.71 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2bun n ARG 100 N -2.23 0.55 -2.87 -0.14 1.74 -1.26 -4.64 116.66 107.80 2bun n ARG 100 Ca -0.04 0.24 -0.26 0.00 -0.77 0.00 0.00 57.85 57.02 2bun n ARG 100 Cb 0.30 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 2bun n ARG 100 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bun n PHE 101 N -4.16 3.59 0.14 -1.55 3.01 -1.26 -4.91 117.46 112.32 2bun n PHE 101 Ca -0.51 -3.81 0.05 0.00 1.01 0.00 0.00 57.45 54.19 2bun n PHE 101 Cb 0.86 -0.41 0.26 0.00 -0.01 0.00 0.00 39.48 40.19 2bun n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bun n ALA 102 N -0.25 0.54 -3.79 4.37 0.00 -1.26 -1.01 120.51 119.11 2bun n ALA 102 Ca 0.32 0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.60 2bun n ALA 102 Cb 0.47 -0.66 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 2bun n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bun s GLY 103 N -2.96 0.65 0.31 0.00 0.00 -1.26 -4.76 107.32 99.29 2bun s GLY 103 Ca -0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 2bun s GLY 103 CO 0.09 0.85 1.48 1.87 0.00 0.00 0.00 173.10 177.38 2bun n TRP 104 N 4.84 2.66 -4.28 1.90 -0.00 -1.22 -4.06 117.44 117.29 2bun n TRP 104 Ca -0.13 0.39 -0.28 0.00 -0.00 0.00 0.00 57.50 57.48 2bun n TRP 104 Cb 0.50 -2.52 -0.10 0.00 -0.00 0.00 0.00 31.31 29.19 2bun n TRP 104 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 2bun s HIS 105 N -0.50 2.63 -0.05 5.87 3.76 0.23 -4.84 115.29 122.39 2bun s HIS 105 Ca 0.60 -0.22 -0.04 0.00 -0.15 0.00 0.00 55.06 55.26 2bun s HIS 105 Cb -0.53 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 31.84 2bun s HIS 105 CO 0.55 0.46 0.12 1.41 -0.85 0.00 0.00 174.74 176.43 2bun s MET 106 N -2.48 0.13 0.40 1.40 1.75 -1.26 -2.49 119.30 116.75 2bun s MET 106 Ca 0.22 0.19 0.14 0.00 -1.25 0.00 0.00 55.69 54.99 2bun s MET 106 Cb -0.10 0.03 0.83 0.00 2.84 0.00 0.00 34.83 38.44 2bun s MET 106 CO 0.13 -0.04 1.88 -0.56 -0.65 0.00 0.00 175.02 175.78 2bun h GLN 107 N 6.15 0.00 -3.35 4.11 -0.00 -1.94 -3.23 115.11 116.85 2bun h GLN 107 Ca -0.27 0.00 -0.78 0.00 -0.00 0.00 0.00 58.65 57.59 2bun h GLN 107 Cb 1.19 0.00 -0.30 0.00 -0.00 0.00 0.00 27.48 28.38 2bun h GLN 107 CO 0.43 0.31 0.40 -0.11 -0.00 0.00 0.00 178.83 179.87 2bun n LEU 108 N -4.11 5.44 -0.37 0.06 0.00 -1.26 -4.49 117.00 112.27 2bun n LEU 108 Ca -0.02 -5.10 0.04 0.00 0.00 0.00 0.00 56.01 50.93 2bun n LEU 108 Cb 0.36 -1.35 0.06 0.00 0.00 0.00 0.00 43.42 42.49 2bun n LEU 108 CO 0.38 1.48 0.46 -1.54 0.00 0.00 0.00 177.39 178.17 2bun n SER 109 N 2.28 2.06 -3.76 1.96 3.41 -1.22 -4.93 113.62 113.42 2bun n SER 109 Ca 0.24 -1.60 -0.21 0.00 -0.26 0.00 0.00 58.87 57.05 2bun n SER 109 Cb 0.37 -0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.09 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bun s SER 111 N 1.79 3.49 0.00 0.00 0.01 -1.26 -5.11 113.70 112.62 2bun s SER 111 Ca 0.01 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2bun s SER 111 Cb -0.13 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2bun s SER 111 CO -0.04 -2.51 0.00 -0.62 0.41 0.00 0.00 173.24 170.48 2bun n GLU 112 N -3.64 3.73 -0.82 12.44 1.02 -1.26 -4.76 120.64 127.36 2bun n GLU 112 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2bun n GLU 112 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bun n ALA 113 N -3.00 0.00 -0.11 0.62 0.00 -1.26 -4.72 120.51 112.04 2bun n ALA 113 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2bun n ALA 113 Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 2bun n ALA 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bun n ASP 114 N 0.00 2.23 -0.02 0.00 5.75 -1.26 -4.67 116.55 118.59 2bun n ASP 114 Ca 0.00 -0.11 -0.18 0.00 -0.01 0.00 0.00 54.79 54.49 2bun n ASP 114 Cb 0.00 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 39.68 2bun n ASP 114 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 2bun h MET 115 N 0.00 0.14 0.00 0.11 2.86 -1.92 -3.47 114.93 112.65 2bun h MET 115 Ca -0.48 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 2bun h MET 115 Cb 1.77 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.52 2bun h MET 115 CO -0.07 1.12 0.00 0.54 1.06 0.00 0.00 176.91 179.56 2bun n ARG 116 N -4.35 0.00 0.00 1.72 3.00 -1.26 -4.60 116.66 111.18 2bun n ARG 116 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 2bun n ARG 116 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.13 2bun n ARG 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bun n SER 117 N 1.45 1.33 0.01 0.55 2.88 -1.26 -2.04 113.62 116.54 2bun n SER 117 Ca 0.00 -1.03 0.11 0.00 -1.33 0.00 0.00 58.87 56.62 2bun n SER 117 Cb 0.00 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 2bun n SER 117 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2bun n LEU 118 N 0.64 0.61 0.00 2.46 4.77 -1.26 -4.90 117.00 119.32 2bun n LEU 118 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2bun n LEU 118 Cb 0.23 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2bun n LEU 118 CO 0.00 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 2bun n GLY 119 N 1.39 1.70 0.11 -0.72 0.00 -1.08 -5.00 105.19 101.58 2bun n GLY 119 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2bun n GLY 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bun h LEU 120 N 0.00 0.42 -8.17 0.99 5.85 -1.76 -3.40 115.31 109.24 2bun h LEU 120 Ca 0.00 -0.93 -0.67 0.00 0.84 0.00 0.00 57.88 57.12 2bun h LEU 120 Cb 0.00 -0.14 -0.17 0.00 0.37 0.00 0.00 40.66 40.72 2bun h LEU 120 CO 0.00 1.32 0.41 0.00 -0.34 0.00 0.00 178.44 179.83 2bun s ALA 121 N -2.54 3.28 -0.49 1.25 0.00 -1.21 -4.95 121.76 117.10 2bun s ALA 121 Ca -0.14 -2.15 -0.45 0.00 0.00 0.00 0.00 51.96 49.22 2bun s ALA 121 Cb 0.01 -3.75 -0.19 0.00 0.00 0.00 0.00 23.12 19.18 2bun s ALA 121 CO 0.81 -2.63 1.86 -1.91 0.00 0.00 0.00 175.76 173.89 2bun n GLU 122 N 6.94 0.04 -3.51 0.00 4.07 -1.26 -4.92 120.64 122.00 2bun n GLU 122 Ca -0.02 0.01 -0.39 0.00 -0.06 0.00 0.00 57.16 56.70 2bun n GLU 122 Cb 0.45 -1.53 -0.10 0.00 -0.06 0.00 0.00 31.44 30.20 2bun n GLU 122 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2bun s SER 123 N 4.44 6.09 -0.11 4.31 0.01 -1.26 -5.04 113.70 122.14 2bun s SER 123 Ca 1.12 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 58.19 2bun s SER 123 Cb -1.48 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 62.64 2bun s SER 123 CO 0.74 -0.17 0.28 0.00 0.41 0.00 0.00 173.24 174.50 2bun s ARG 124 N 1.84 0.27 0.00 12.44 3.03 -1.26 -5.22 118.95 130.04 2bun s ARG 124 Ca 0.09 0.51 0.31 0.00 2.03 0.00 0.00 55.73 58.67 2bun s ARG 124 Cb -0.16 -0.01 1.68 0.00 -1.03 0.00 0.00 34.95 35.42 2bun s ARG 124 CO 0.11 -0.12 2.10 0.00 -1.13 0.00 0.00 175.30 176.26