#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 2.80 0.02 1.96 2.56 -1.26 -4.92 118.70 119.86 2bun s GLU 6 Ca 0.00 1.10 -0.35 0.00 0.00 0.00 0.00 54.97 55.73 2bun s GLU 6 Cb 0.00 -1.97 -0.13 0.00 2.00 0.00 0.00 34.13 34.03 2bun s GLU 6 CO 0.00 -1.21 1.71 0.00 -0.56 0.00 0.00 175.26 175.19 2bun n ALA 7 N -2.96 0.89 -1.90 6.30 0.00 -1.26 -4.97 120.51 116.61 2bun n ALA 7 Ca 0.08 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 2bun n ALA 7 Cb 0.53 -2.39 0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 2.45 5.64 0.04 0.00 2.15 -1.26 -4.93 116.67 120.75 2bun s ASP 8 Ca 0.87 1.16 0.04 0.00 0.43 0.00 0.00 52.55 55.04 2bun s ASP 8 Cb -0.73 -2.03 0.18 0.00 -0.30 0.00 0.00 42.92 40.04 2bun s ASP 8 CO 0.46 -1.21 1.11 1.33 -0.17 0.00 0.00 175.17 176.69 2bun n VAL 9 N -2.91 1.83 -1.65 1.11 0.24 -1.26 -4.76 118.33 110.92 2bun n VAL 9 Ca 0.06 0.52 -0.61 0.00 -2.04 0.00 0.00 64.34 62.28 2bun n VAL 9 Cb 0.56 -1.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.34 2bun n VAL 9 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2bun n THR 10 N -1.60 0.17 -2.69 3.34 5.66 -1.26 -4.90 114.28 112.99 2bun n THR 10 Ca -0.00 -0.05 -0.40 0.00 -3.05 0.00 0.00 64.05 60.55 2bun n THR 10 Cb 0.01 -0.95 -0.05 0.00 -1.55 0.00 0.00 70.33 67.79 2bun n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bun s MET 11 N 3.92 4.79 -0.04 1.09 0.23 -1.26 -4.98 119.30 123.06 2bun s MET 11 Ca 1.04 1.56 -0.03 0.00 -1.03 0.00 0.00 55.69 57.23 2bun s MET 11 Cb -1.24 -3.27 -0.01 0.00 -1.53 0.00 0.00 34.83 28.78 2bun s MET 11 CO 0.70 0.42 -0.06 0.25 -2.03 0.00 0.00 175.02 174.29 2bun n THR 12 N 1.57 0.31 -1.97 3.16 -2.24 -1.26 -5.09 114.28 108.76 2bun n THR 12 Ca -0.01 0.43 -0.02 0.00 -2.27 0.00 0.00 64.05 62.18 2bun n THR 12 Cb 0.47 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 1.55 -1.71 0.18 3.38 0.00 -1.25 -4.78 105.19 102.55 2bun n GLY 13 Ca -0.03 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2bun n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bun n SER 14 N -0.21 1.97 -2.55 1.61 7.64 -1.26 -4.20 113.62 116.63 2bun n SER 14 Ca 0.03 0.09 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 2bun n SER 14 Cb 0.11 -0.54 0.01 0.00 -1.01 0.00 0.00 64.21 62.79 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2bun n ASP 15 N -3.63 5.37 -4.44 6.43 5.75 -1.26 -4.91 116.55 119.86 2bun n ASP 15 Ca -0.44 -3.75 -0.28 0.00 -0.01 0.00 0.00 54.79 50.31 2bun n ASP 15 Cb 0.88 -0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 40.27 2bun n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2bun s LEU 16 N -3.66 2.49 -0.00 -2.12 2.01 -1.22 -3.83 118.68 112.35 2bun s LEU 16 Ca 0.49 -0.75 -0.11 0.00 0.01 0.00 0.00 54.13 53.76 2bun s LEU 16 Cb 0.41 -1.29 0.01 0.00 0.01 0.00 0.00 46.19 45.33 2bun s LEU 16 CO -0.22 0.15 0.23 -0.69 1.01 0.00 0.00 176.35 176.82 2bun s VAL 17 N -1.40 0.07 -0.08 -1.59 1.01 0.13 -0.07 120.40 118.47 2bun s VAL 17 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2bun s VAL 17 Cb -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2bun s VAL 17 CO 0.09 -0.33 -0.08 -0.55 0.00 0.00 0.00 175.10 174.23 2bun s SER 18 N -1.45 1.71 -0.18 3.32 0.15 0.14 -0.74 113.70 116.65 2bun s SER 18 Ca -0.13 -0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.19 2bun s SER 18 Cb -0.06 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 2bun s SER 18 CO 0.02 -0.06 0.10 0.00 1.20 0.00 0.00 173.24 174.51 2bun s TYR 21 N 1.10 2.36 0.22 0.00 -0.85 0.26 -3.59 117.35 116.85 2bun s TYR 21 Ca -0.00 -0.67 0.06 0.00 -0.52 0.00 0.00 57.07 55.94 2bun s TYR 21 Cb -0.19 -1.56 -0.05 0.00 0.38 0.00 0.00 41.96 40.54 2bun s TYR 21 CO -0.07 0.41 -0.10 -0.98 -1.52 0.00 0.00 175.55 173.28 2bun s ARG 22 N -3.71 1.35 -0.03 -3.49 1.70 0.22 -0.53 118.95 114.46 2bun s ARG 22 Ca 0.34 -1.63 -0.17 0.00 -0.47 0.00 0.00 55.73 53.80 2bun s ARG 22 Cb 0.07 -1.00 0.03 0.00 -0.57 0.00 0.00 34.95 33.48 2bun s ARG 22 CO 0.17 0.10 0.36 -1.12 -1.08 0.00 0.00 175.30 173.72 2bun s SER 23 N -3.33 -0.26 -0.99 -2.89 0.01 0.18 -0.96 113.70 105.46 2bun s SER 23 Ca 0.24 0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 2bun s SER 23 Cb 0.02 0.37 0.31 0.00 0.21 0.00 0.00 66.02 66.93 2bun s SER 23 CO 0.08 -0.45 1.47 0.18 0.41 0.00 0.00 173.24 174.93 2bun n LEU 24 N 1.34 6.28 -1.02 2.44 7.99 -0.01 0.66 117.00 134.69 2bun n LEU 24 Ca -0.21 -5.32 -0.14 0.00 -0.01 0.00 0.00 56.01 50.33 2bun n LEU 24 Cb 0.56 -1.13 -0.02 0.00 -0.11 0.00 0.00 43.42 42.72 2bun n LEU 24 CO 0.22 1.88 0.29 0.00 -1.51 0.00 0.00 177.39 178.27 2bun n ALA 25 N 0.78 -0.20 -1.72 -1.18 0.00 -0.69 -4.34 120.51 113.17 2bun n ALA 25 Ca 0.33 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 2bun n ALA 25 Cb 0.32 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 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 1.12 1.73 0.42 0.00 0.00 -1.25 -4.85 120.51 117.66 2bun n ALA 26 Ca 0.08 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.94 2bun n ALA 26 Cb -0.01 -2.34 0.22 0.00 0.00 0.00 0.00 19.45 17.32 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 1.26 0.14 -0.17 0.00 -0.04 -1.26 -2.09 135.00 132.83 2bun n PRO 27 Ca 0.07 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2bun n PRO 27 Cb 0.36 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.25 2.96 -4.77 3.54 5.75 -1.26 -5.02 116.55 116.50 2bun n ASP 28 Ca 0.04 -1.89 -0.34 0.00 -0.01 0.00 0.00 54.79 52.59 2bun n ASP 28 Cb 0.06 -0.22 0.03 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.06 3.57 -0.22 -2.12 1.43 -0.89 -5.02 118.68 114.37 2bun s LEU 29 Ca 0.27 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2bun s LEU 29 Cb 0.15 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 2bun s LEU 29 CO 0.20 -1.43 0.19 0.42 0.23 0.00 0.00 176.35 175.96 2bun s THR 30 N -2.05 5.35 0.24 5.49 -4.23 -1.26 -4.98 115.64 114.19 2bun s THR 30 Ca 0.70 0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 61.43 2bun s THR 30 Cb -0.22 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.29 2bun s THR 30 CO 0.34 0.36 1.81 0.25 -0.54 0.00 0.00 174.62 176.84 2bun h LEU 31 N 7.31 0.64 -1.68 4.79 5.85 -2.00 0.38 115.31 130.60 2bun h LEU 31 Ca -0.39 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2bun h LEU 31 Cb 1.16 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2bun h LEU 31 CO 0.69 0.37 -0.08 -0.09 -0.34 0.00 0.00 178.44 179.00 2bun h ARG 32 N 0.76 0.00 -0.20 1.25 9.65 -1.98 0.62 114.38 124.49 2bun h ARG 32 Ca 0.38 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 59.06 2bun h ARG 32 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2bun h ARG 32 CO -0.24 0.08 -0.67 -0.44 2.80 0.00 0.00 179.97 181.50 2bun h ASP 33 N 0.00 0.87 -0.69 -3.80 3.32 -1.36 0.22 116.42 114.98 2bun h ASP 33 Ca -0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 2bun h ASP 33 Cb 0.46 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2bun h ASP 33 CO 0.01 1.30 0.23 -0.07 -1.72 0.00 0.00 179.24 178.99 2bun h LEU 34 N 0.54 0.99 -0.68 1.55 -0.00 -0.20 0.45 115.31 117.97 2bun h LEU 34 Ca -0.02 -0.20 -0.13 0.00 -0.00 0.00 0.00 57.88 57.53 2bun h LEU 34 Cb 1.27 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2bun h LEU 34 CO 0.14 0.92 -0.43 -0.07 -0.00 0.00 0.00 178.44 179.00 2bun h LEU 35 N 1.00 0.56 -0.39 1.67 -0.00 -1.19 -0.47 115.31 116.49 2bun h LEU 35 Ca 0.22 -0.26 -0.18 0.00 -0.00 0.00 0.00 57.88 57.67 2bun h LEU 35 Cb 0.28 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 2bun h LEU 35 CO -0.01 0.92 -0.55 -0.78 -0.00 0.00 0.00 178.44 178.02 2bun h ASP 36 N 0.43 0.83 0.30 -0.43 3.58 -0.02 -3.05 116.42 118.06 2bun h ASP 36 Ca 0.03 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2bun h ASP 36 Cb 0.92 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 2bun h ASP 36 CO 0.08 1.21 -0.36 0.40 -2.88 0.00 0.00 179.24 177.69 2bun h ILE 37 N 0.57 0.27 -0.49 2.25 2.04 0.31 0.77 117.51 123.23 2bun h ILE 37 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2bun h ILE 37 Cb 1.13 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 2bun h ILE 37 CO 0.11 0.00 0.04 1.62 0.00 0.00 0.00 178.15 179.93 2bun h VAL 38 N -0.70 0.66 -0.04 1.67 3.04 -1.15 0.31 116.25 120.04 2bun h VAL 38 Ca -0.01 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.61 2bun h VAL 38 Cb 0.65 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2bun h VAL 38 CO -0.09 0.03 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.16 2bun h GLU 39 N 0.16 0.08 -0.18 4.17 5.08 -1.41 -2.88 114.58 119.60 2bun h GLU 39 Ca 0.25 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2bun h GLU 39 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2bun h GLU 39 CO -0.37 0.39 -0.30 1.15 -1.00 0.00 0.00 179.01 178.88 2bun h THR 40 N -0.25 1.27 0.07 1.13 2.02 -0.55 -2.97 112.91 113.63 2bun h THR 40 Ca 0.01 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2bun h THR 40 Cb 0.36 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2bun h THR 40 CO 0.00 0.40 -0.08 -1.28 0.37 0.00 0.00 175.52 174.94 2bun h SER 41 N 0.31 -0.20 -0.31 4.18 0.87 -0.29 -2.38 113.55 115.73 2bun h SER 41 Ca 0.04 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2bun h SER 41 Cb 0.69 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 2bun h SER 41 CO 0.05 -0.12 0.10 1.56 -0.53 0.00 0.00 176.83 177.89 2bun h GLN 42 N -0.17 0.23 -0.82 2.24 4.20 -1.41 0.22 115.11 119.59 2bun h GLN 42 Ca 0.01 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.76 2bun h GLN 42 Cb 0.17 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 2bun h GLN 42 CO -0.02 0.15 0.51 0.00 -0.67 0.00 0.00 178.83 178.79 2bun h ALA 43 N 1.20 1.12 0.22 3.87 0.00 -1.35 0.43 119.26 124.76 2bun h ALA 43 Ca 0.14 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 2bun h ALA 43 Cb 0.12 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.71 2bun h ALA 43 CO -0.15 0.25 -1.59 1.25 0.00 0.00 0.00 179.25 179.01 2bun h HIS 44 N 0.93 0.86 -0.45 0.00 -0.00 -1.16 -3.07 115.15 112.25 2bun h HIS 44 Ca 0.36 -0.63 -0.03 0.00 -0.00 0.00 0.00 60.37 60.08 2bun h HIS 44 Cb 0.16 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2bun h HIS 44 CO -0.04 1.60 0.18 -0.91 -0.00 0.00 0.00 177.93 178.76 2bun h ASN 45 N 0.13 0.63 -0.72 3.26 2.35 -0.04 0.43 115.58 121.61 2bun h ASN 45 Ca -0.29 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2bun h ASN 45 Cb 2.14 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 40.31 2bun h ASN 45 CO 0.23 0.62 0.46 0.00 -1.65 0.00 0.00 177.43 177.10 2bun h ALA 46 N 1.03 0.91 0.21 -0.83 0.00 -0.29 0.51 119.26 120.80 2bun h ALA 46 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bun h ALA 46 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bun h ALA 46 CO -0.01 0.35 -0.10 -0.09 0.00 0.00 0.00 179.25 179.39 2bun h ARG 47 N 0.98 -0.27 0.00 0.00 2.43 -1.33 -2.90 114.38 113.28 2bun h ARG 47 Ca 0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2bun h ARG 47 Cb -0.09 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2bun h ARG 47 CO -0.05 -0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.38 2bun n ALA 48 N -2.33 2.50 -1.92 2.80 0.00 0.15 -4.85 120.51 116.85 2bun n ALA 48 Ca -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.15 2bun n ALA 48 Cb 0.20 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.07 -0.30 -3.18 0.00 6.02 0.44 -4.61 117.38 114.69 2bun n GLN 49 Ca 0.19 0.26 -0.39 0.00 -0.01 0.00 0.00 57.00 57.05 2bun n GLN 49 Cb 0.12 -3.97 -0.06 0.00 1.02 0.00 0.00 30.24 27.36 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 -1.08 4.19 0.01 1.08 1.02 0.15 -4.66 118.68 119.39 2bun s LEU 50 Ca 0.00 0.83 0.04 0.00 0.02 0.00 0.00 54.13 55.02 2bun s LEU 50 Cb 0.00 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.35 2bun s LEU 50 CO 0.00 -0.18 -0.08 0.42 0.02 0.00 0.00 176.35 176.52 2bun s THR 51 N 1.49 3.52 0.21 5.49 -4.23 0.42 -4.09 115.64 118.45 2bun s THR 51 Ca 0.28 -0.84 -0.21 0.00 -1.18 0.00 0.00 61.69 59.74 2bun s THR 51 Cb -0.16 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.23 2bun s THR 51 CO 0.11 0.38 1.02 -0.83 -0.54 0.00 0.00 174.62 174.76 2bun s GLY 52 N -1.42 0.18 -0.01 3.99 0.00 0.33 0.98 107.32 111.36 2bun s GLY 52 Ca 0.17 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 2bun s GLY 52 CO 0.07 2.38 1.05 0.00 0.00 0.00 0.00 173.10 176.61 2bun s ALA 53 N -2.09 -1.92 -0.09 3.20 0.00 -1.15 -0.39 121.76 119.32 2bun s ALA 53 Ca 0.22 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 2bun s ALA 53 Cb -0.03 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.45 2bun s ALA 53 CO 0.06 -0.81 0.33 -0.48 0.00 0.00 0.00 175.76 174.86 2bun s LEU 54 N -2.61 0.74 -0.31 0.00 0.05 -0.64 -2.56 118.68 113.36 2bun s LEU 54 Ca 0.09 0.47 0.01 0.00 0.05 0.00 0.00 54.13 54.75 2bun s LEU 54 Cb -0.00 1.22 0.07 0.00 -2.05 0.00 0.00 46.19 45.43 2bun s LEU 54 CO -0.04 -0.24 -0.01 -0.36 -0.55 0.00 0.00 176.35 175.15 2bun s PHE 55 N -0.39 3.38 -0.35 3.48 0.08 0.14 -2.43 117.98 121.90 2bun s PHE 55 Ca -0.05 -2.26 -0.08 0.00 0.12 0.00 0.00 56.93 54.66 2bun s PHE 55 Cb -0.03 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2bun s PHE 55 CO 0.02 -0.87 0.13 -0.47 -0.10 0.00 0.00 175.22 173.93 2bun s TYR 56 N 1.14 3.24 -0.18 0.36 6.14 -1.26 -0.47 117.35 126.31 2bun s TYR 56 Ca -0.02 -1.23 -0.16 0.00 0.64 0.00 0.00 57.07 56.29 2bun s TYR 56 Cb -0.20 -2.32 0.05 0.00 0.42 0.00 0.00 41.96 39.90 2bun s TYR 56 CO -0.04 -0.69 0.49 -1.54 0.64 0.00 0.00 175.55 174.41 2bun s SER 57 N 1.46 -0.52 -0.35 4.32 1.04 -0.65 -4.87 113.70 114.13 2bun s SER 57 Ca -0.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2bun s SER 57 Cb -0.19 0.99 0.00 0.00 0.10 0.00 0.00 66.02 66.92 2bun s SER 57 CO 0.04 -0.17 0.00 1.67 0.98 0.00 0.00 173.24 175.76 2bun n GLN 58 N 2.95 -1.29 0.00 4.02 7.27 -1.26 -1.14 117.38 127.93 2bun n GLN 58 Ca -0.14 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.42 2bun n GLN 58 Cb 0.57 -4.55 0.00 0.00 2.41 0.00 0.00 30.24 28.67 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 -0.47 1.92 3.72 1.69 0.00 -1.26 -5.03 105.19 105.75 2bun n GLY 59 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.34 5.04 -0.19 1.61 0.11 -0.29 -1.70 120.40 122.65 2bun s VAL 60 Ca 0.00 1.37 -0.19 0.00 -2.93 0.00 0.00 61.98 60.23 2bun s VAL 60 Cb 0.00 -4.01 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 2bun s VAL 60 CO 0.00 0.28 0.56 -0.36 -3.33 0.00 0.00 175.10 172.25 2bun s PHE 61 N 0.66 3.39 -0.22 1.54 0.08 0.21 -1.63 117.98 122.01 2bun s PHE 61 Ca 0.36 0.85 0.00 0.00 0.12 0.00 0.00 56.93 58.26 2bun s PHE 61 Cb -0.18 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.59 2bun s PHE 61 CO 0.17 -0.10 -0.13 0.12 -0.10 0.00 0.00 175.22 175.18 2bun s PHE 62 N 1.64 2.98 -0.05 0.36 5.36 0.38 -0.65 117.98 128.01 2bun s PHE 62 Ca 0.26 -1.72 -0.00 0.00 -0.96 0.00 0.00 56.93 54.51 2bun s PHE 62 Cb -0.16 -1.98 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 2bun s PHE 62 CO 0.10 -0.78 -0.01 -1.14 -1.46 0.00 0.00 175.22 171.92 2bun s GLN 63 N 1.27 0.60 0.10 10.12 -0.44 0.30 0.26 119.66 131.88 2bun s GLN 63 Ca 0.01 0.03 -0.03 0.00 -2.50 0.00 0.00 55.36 52.86 2bun s GLN 63 Cb -0.16 -0.79 -0.03 0.00 -1.64 0.00 0.00 33.01 30.40 2bun s GLN 63 CO -0.08 -0.18 0.09 1.67 0.50 0.00 0.00 175.29 177.29 2bun s TRP 64 N 1.34 0.57 0.00 1.67 -2.14 -1.06 -0.58 118.94 118.74 2bun s TRP 64 Ca -0.05 -1.01 -0.14 0.00 2.66 0.00 0.00 56.10 57.57 2bun s TRP 64 Cb -0.13 -0.32 0.02 0.00 -3.10 0.00 0.00 33.47 29.94 2bun s TRP 64 CO -0.02 -0.51 0.29 -0.48 -2.66 0.00 0.00 176.95 173.57 2bun s LEU 65 N -2.97 0.92 -0.21 -4.66 0.05 -0.80 -2.94 118.68 108.08 2bun s LEU 65 Ca 0.15 -0.02 -0.06 0.00 0.05 0.00 0.00 54.13 54.24 2bun s LEU 65 Cb 0.07 1.24 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 2bun s LEU 65 CO -0.04 -0.49 0.03 -1.61 -0.55 0.00 0.00 176.35 173.68 2bun s GLU 66 N -1.70 3.69 0.18 1.48 2.02 0.27 -2.48 118.70 122.17 2bun s GLU 66 Ca -0.11 -0.48 -0.23 0.00 0.02 0.00 0.00 54.97 54.17 2bun s GLU 66 Cb -0.04 -3.16 0.07 0.00 0.10 0.00 0.00 34.13 31.10 2bun s GLU 66 CO 0.02 0.01 1.01 0.20 0.02 0.00 0.00 175.26 176.52 2bun s GLY 67 N 1.04 0.00 0.15 -1.39 0.00 0.08 -0.43 107.32 106.77 2bun s GLY 67 Ca 0.03 -0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 2bun s GLY 67 CO 0.02 1.47 1.35 -1.58 0.00 0.00 0.00 173.10 174.36 2bun s HIS 68 N -2.53 3.25 0.21 1.90 2.46 -1.25 0.17 115.29 119.50 2bun s HIS 68 Ca 0.18 1.06 0.04 0.00 0.47 0.00 0.00 55.06 56.81 2bun s HIS 68 Cb -0.02 -3.65 0.57 0.00 -0.13 0.00 0.00 32.58 29.36 2bun s HIS 68 CO 0.04 -2.17 1.02 -2.30 -2.47 0.00 0.00 174.74 168.87 2bun n PRO 69 N 3.44 -0.05 0.14 2.88 -0.01 -1.25 0.08 135.00 140.23 2bun n PRO 69 Ca 0.09 0.96 0.01 0.00 -0.01 0.00 0.00 63.50 64.55 2bun n PRO 69 Cb 0.43 -1.57 0.15 0.00 -0.01 0.00 0.00 33.50 32.50 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 1.30 0.82 -0.26 3.55 0.00 -1.93 0.16 119.26 122.90 2bun h ALA 70 Ca 0.43 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2bun h ALA 70 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2bun h ALA 70 CO -0.59 0.72 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 2bun h ALA 71 N 1.42 0.35 -0.52 0.00 0.00 -0.73 0.31 119.26 120.11 2bun h ALA 71 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2bun h ALA 71 Cb 1.20 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2bun h ALA 71 CO 0.08 0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.99 2bun h VAL 72 N 0.24 0.92 -0.12 0.00 2.07 -1.17 0.93 116.25 119.12 2bun h VAL 72 Ca 0.07 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2bun h VAL 72 Cb 0.49 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2bun h VAL 72 CO 0.02 0.09 -0.60 0.00 0.02 0.00 0.00 177.57 177.10 2bun h ALA 73 N 1.30 0.74 -0.60 1.67 0.00 -0.68 0.56 119.26 122.25 2bun h ALA 73 Ca 0.23 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2bun h ALA 73 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2bun h ALA 73 CO -0.18 0.71 0.31 1.49 0.00 0.00 0.00 179.25 181.58 2bun h GLU 74 N 0.31 0.85 0.01 0.00 4.22 0.31 0.57 114.58 120.84 2bun h GLU 74 Ca -0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 2bun h GLU 74 Cb 1.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2bun h GLU 74 CO 0.10 0.66 -0.00 0.28 -2.18 0.00 0.00 179.01 177.87 2bun h VAL 75 N 0.82 1.00 -0.23 0.32 2.07 -0.59 -1.67 116.25 117.97 2bun h VAL 75 Ca 0.21 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.76 2bun h VAL 75 Cb 0.07 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2bun h VAL 75 CO -0.03 0.01 -0.14 0.24 0.02 0.00 0.00 177.57 177.66 2bun h MET 76 N -0.02 -0.12 -0.85 1.57 2.86 0.78 0.24 114.93 119.38 2bun h MET 76 Ca -0.00 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2bun h MET 76 Cb 0.02 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 2bun h MET 76 CO 0.00 -0.08 0.50 1.03 1.06 0.00 0.00 176.91 179.42 2bun h SER 77 N -0.13 0.74 -0.31 1.22 0.87 0.28 0.62 113.55 116.84 2bun h SER 77 Ca 0.13 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.57 2bun h SER 77 Cb 0.32 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2bun h SER 77 CO -0.31 0.44 -0.42 0.45 -0.53 0.00 0.00 176.83 176.46 2bun h HIS 78 N 0.86 1.01 -0.08 2.24 3.86 -0.77 -3.20 115.15 119.08 2bun h HIS 78 Ca 0.40 -0.33 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 2bun h HIS 78 Cb 0.32 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.60 2bun h HIS 78 CO -0.05 1.14 -0.68 0.82 0.86 0.00 0.00 177.93 180.02 2bun h ILE 79 N 0.60 1.34 0.00 2.45 2.04 0.54 -3.01 117.51 121.47 2bun h ILE 79 Ca 0.04 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2bun h ILE 79 Cb 1.01 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2bun h ILE 79 CO 0.10 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.85 2bun n GLN 80 N -4.09 0.05 0.00 2.37 1.13 0.21 -1.33 117.38 115.72 2bun n GLN 80 Ca -0.09 0.40 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 2bun n GLN 80 Cb 0.70 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 -1.72 0.95 -0.00 -1.09 1.74 -1.14 -4.98 116.66 110.42 2bun n ARG 81 Ca 0.02 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2bun n ARG 81 Cb 0.11 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2bun n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2bun n ASP 82 N 0.11 -0.00 0.00 0.55 2.03 -0.44 -4.87 116.55 113.93 2bun n ASP 82 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2bun n ASP 82 Cb 0.28 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.00 0.00 -0.89 -0.67 1.85 -1.26 -4.95 116.66 110.74 2bun n ARG 83 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 2bun n ARG 83 Cb 0.00 0.00 0.28 0.00 -1.05 0.00 0.00 32.46 31.69 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 -1.43 3.33 -0.13 2.89 3.00 -1.26 -4.93 116.66 118.14 2bun n ARG 84 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 57.85 54.78 2bun n ARG 84 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 32.46 30.36 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 -0.36 -0.12 -3.65 -1.55 1.44 -1.26 -4.81 115.22 104.91 2bun n HIS 85 Ca 0.37 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.87 2bun n HIS 85 Cb 1.26 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 31.20 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 1.61 1.31 0.00 4.39 0.01 -1.26 -3.89 113.70 115.86 2bun s SER 86 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2bun s SER 86 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2bun s SER 86 CO 0.00 -0.27 0.00 0.59 0.41 0.00 0.00 173.24 173.97 2bun n ASN 87 N 5.30 0.00 -3.59 2.44 3.02 -1.26 -0.83 115.26 120.34 2bun n ASN 87 Ca -0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.22 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 -3.24 -2.98 2.41 3.14 -1.25 -4.87 118.33 111.55 2bun n VAL 88 Ca 0.00 0.02 -0.44 0.00 -2.96 0.00 0.00 64.34 60.96 2bun n VAL 88 Cb 0.00 -2.92 -0.03 0.00 -1.06 0.00 0.00 33.84 29.84 2bun n VAL 88 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2bun s GLU 89 N -3.84 3.51 0.02 1.45 2.02 -0.14 -4.87 118.70 116.85 2bun s GLU 89 Ca 0.14 -1.70 -0.04 0.00 0.02 0.00 0.00 54.97 53.39 2bun s GLU 89 Cb -0.01 -4.74 -0.01 0.00 0.10 0.00 0.00 34.13 29.46 2bun s GLU 89 CO 0.84 -1.71 1.06 0.82 0.02 0.00 0.00 175.26 176.29 2bun h ILE 90 N 5.74 0.00 0.00 -1.63 1.08 -1.84 0.66 117.51 121.52 2bun h ILE 90 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2bun h ILE 90 Cb 1.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2bun h ILE 90 CO 1.08 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 178.72 2bun n LEU 91 N -3.10 0.00 -3.63 1.44 4.77 -1.26 -3.73 117.00 111.49 2bun n LEU 91 Ca -0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2bun n LEU 91 Cb 0.04 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 2bun n LEU 91 CO -0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 175.90 2bun s ALA 92 N -0.68 -0.47 -0.18 -1.18 0.00 -1.24 -5.06 121.76 112.96 2bun s ALA 92 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2bun s ALA 92 Cb 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.11 2bun s ALA 92 CO 0.00 -0.74 -0.03 -1.21 0.00 0.00 0.00 175.76 173.78 2bun s GLU 93 N 2.39 1.22 0.02 0.00 2.02 -1.26 -0.16 118.70 122.94 2bun s GLU 93 Ca 0.03 -0.52 0.09 0.00 0.02 0.00 0.00 54.97 54.58 2bun s GLU 93 Cb -0.13 -2.04 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2bun s GLU 93 CO -0.09 -0.50 -0.26 -1.83 0.02 0.00 0.00 175.26 172.61 2bun s GLU 94 N 1.67 1.90 -0.06 1.61 -1.05 0.48 -4.96 118.70 118.29 2bun s GLU 94 Ca -0.00 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.50 2bun s GLU 94 Cb -0.16 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.53 2bun s GLU 94 CO -0.07 0.52 1.22 -1.54 0.95 0.00 0.00 175.26 176.34 2bun s SER 95 N -0.97 7.03 0.40 0.83 1.04 -1.26 0.26 113.70 121.03 2bun s SER 95 Ca 0.11 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.41 2bun s SER 95 Cb -0.10 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 2bun s SER 95 CO 0.01 -0.61 0.03 0.27 0.98 0.00 0.00 173.24 173.91 2bun s ILE 96 N 2.36 1.68 -1.93 -1.02 -4.36 0.90 -4.88 121.20 113.95 2bun s ILE 96 Ca 0.56 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 59.11 2bun s ILE 96 Cb -0.25 -2.86 0.13 0.00 1.25 0.00 0.00 42.46 40.73 2bun s ILE 96 CO 0.21 0.00 1.00 0.00 0.24 0.00 0.00 174.94 176.39 2bun n ALA 97 N -0.92 2.47 -0.81 2.27 0.00 -1.26 -3.37 120.51 118.89 2bun n ALA 97 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2bun n ALA 97 Cb 0.67 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 0.87 0.00 -1.41 0.00 4.81 -1.26 -3.93 118.16 117.25 2bun n LYS 98 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2bun n LYS 98 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 2bun n LYS 98 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bun n ARG 99 N -0.81 0.00 -0.05 1.64 5.12 -1.26 -4.99 116.66 116.31 2bun n ARG 99 Ca 0.00 0.08 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 2bun n ARG 99 Cb 0.00 -2.81 -0.01 0.00 -1.16 0.00 0.00 32.46 28.48 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bun h ARG 100 N 0.00 0.00 0.00 5.56 3.08 -1.97 -3.43 114.38 117.62 2bun h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bun h ARG 100 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2bun h ARG 100 CO 0.00 0.00 -0.92 1.19 -1.07 0.00 0.00 179.97 179.17 2bun n PHE 101 N -3.92 0.00 0.00 3.04 3.01 -1.26 -4.97 117.46 113.35 2bun n PHE 101 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 2bun n PHE 101 Cb 0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.47 0.00 -3.09 4.37 0.00 -1.26 -4.74 120.51 114.31 2bun n ALA 102 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2bun n ALA 102 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.82 0.19 0.18 0.00 0.00 -1.26 -4.82 107.32 100.79 2bun s GLY 103 Ca 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 44.72 43.98 2bun s GLY 103 CO 0.00 -0.51 0.68 0.86 0.00 0.00 0.00 173.10 174.13 2bun s TRP 104 N -3.93 3.70 0.08 1.90 -0.00 -1.24 -0.51 118.94 118.94 2bun s TRP 104 Ca 0.14 1.35 0.02 0.00 -0.00 0.00 0.00 56.10 57.60 2bun s TRP 104 Cb 0.00 -2.58 -0.04 0.00 -0.00 0.00 0.00 33.47 30.86 2bun s TRP 104 CO -0.00 0.41 -0.07 -1.01 -0.00 0.00 0.00 176.95 176.28 2bun s HIS 105 N -1.41 0.79 -0.05 5.86 3.76 0.47 -4.75 115.29 119.97 2bun s HIS 105 Ca 0.39 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2bun s HIS 105 Cb -0.18 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.06 2bun s HIS 105 CO 0.21 -0.15 -0.07 1.41 -0.85 0.00 0.00 174.74 175.29 2bun s MET 106 N -3.22 1.08 -0.01 1.40 1.75 -1.26 -1.62 119.30 117.41 2bun s MET 106 Ca 0.05 -0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.31 2bun s MET 106 Cb 0.01 -0.99 0.14 0.00 2.84 0.00 0.00 34.83 36.83 2bun s MET 106 CO -0.04 -0.02 0.99 0.00 -0.65 0.00 0.00 175.02 175.30 2bun n GLN 107 N 3.85 1.46 0.26 4.11 -0.00 -1.02 -4.24 117.38 121.80 2bun n GLN 107 Ca -0.24 -0.54 -0.10 0.00 -0.00 0.00 0.00 57.00 56.12 2bun n GLN 107 Cb 0.52 -1.28 -0.05 0.00 -0.00 0.00 0.00 30.24 29.43 2bun n GLN 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2bun h LEU 108 N 0.81 -0.56 0.00 2.61 5.85 -1.92 -3.44 115.31 118.66 2bun h LEU 108 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2bun h LEU 108 Cb 0.38 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2bun h LEU 108 CO 0.03 -0.40 0.00 -0.24 -0.34 0.00 0.00 178.44 177.49 2bun n SER 109 N -3.79 0.00 -0.72 1.25 2.88 -1.26 0.04 113.62 112.02 2bun n SER 109 Ca -0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.44 2bun n SER 109 Cb 0.26 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bun n SER 111 N 0.04 0.00 0.10 0.00 3.41 0.11 -3.51 113.62 113.76 2bun n SER 111 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2bun n SER 111 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2bun n SER 111 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2bun n GLU 112 N 0.00 0.00 -1.98 4.33 0.00 -1.26 -5.01 120.64 116.72 2bun n GLU 112 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 2bun n GLU 112 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bun n ALA 113 N -2.90 -0.47 -0.11 -1.84 0.00 -1.23 -4.83 120.51 109.12 2bun n ALA 113 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 2bun n ALA 113 Cb 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.37 2bun n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bun n ASP 114 N -1.59 1.92 -0.04 0.00 2.03 -1.26 -4.83 116.55 112.78 2bun n ASP 114 Ca -0.21 0.38 -0.09 0.00 0.52 0.00 0.00 54.79 55.39 2bun n ASP 114 Cb 0.66 -0.82 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 2bun n ASP 114 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2bun n MET 115 N -4.38 0.18 -1.81 -0.67 2.81 -1.26 -5.01 117.12 106.99 2bun n MET 115 Ca -0.35 0.08 -0.12 0.00 -1.81 0.00 0.00 57.70 55.50 2bun n MET 115 Cb 0.69 -0.83 -0.03 0.00 -0.71 0.00 0.00 33.22 32.34 2bun n MET 115 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bun n ARG 116 N -3.32 -0.89 0.00 0.03 5.12 -1.26 -4.35 116.66 111.99 2bun n ARG 116 Ca -0.16 0.74 0.09 0.00 -1.93 0.00 0.00 57.85 56.58 2bun n ARG 116 Cb 0.62 -4.82 0.52 0.00 -1.16 0.00 0.00 32.46 27.62 2bun n ARG 116 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2bun n SER 117 N -0.10 0.00 0.25 0.55 3.41 -1.23 -0.84 113.62 115.66 2bun n SER 117 Ca -0.13 -0.89 0.10 0.00 -0.26 0.00 0.00 58.87 57.69 2bun n SER 117 Cb 0.50 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.13 2bun n SER 117 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bun h LEU 118 N 0.00 0.00 0.00 1.04 3.38 -1.89 -3.43 115.31 114.41 2bun h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bun h LEU 118 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bun h LEU 118 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2bun n GLY 119 N -1.52 0.00 0.00 0.83 0.00 -1.04 -5.06 105.19 98.41 2bun n GLY 119 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2bun n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bun n LEU 120 N 0.00 1.56 -4.14 0.99 4.32 -0.02 -4.45 117.00 115.26 2bun n LEU 120 Ca 0.00 0.14 -0.43 0.00 -0.02 0.00 0.00 56.01 55.70 2bun n LEU 120 Cb 0.00 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2bun n LEU 120 CO 0.00 -0.18 1.97 0.00 -1.22 0.00 0.00 177.39 177.97 2bun n ALA 121 N -1.19 4.64 0.03 -1.18 0.00 -0.48 -3.54 120.51 118.78 2bun n ALA 121 Ca 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.33 2bun n ALA 121 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.20 2bun n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bun n GLU 122 N 5.75 0.00 -0.61 0.00 0.00 -1.26 -3.48 120.64 121.04 2bun n GLU 122 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.60 2bun n GLU 122 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 31.44 31.81 2bun n GLU 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2bun n SER 123 N -2.73 -4.18 -3.90 4.31 7.64 -1.23 -5.03 113.62 108.50 2bun n SER 123 Ca 0.00 0.46 -0.28 0.00 1.01 0.00 0.00 58.87 60.06 2bun n SER 123 Cb 0.03 -1.09 -0.17 0.00 -1.01 0.00 0.00 64.21 61.97 2bun n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun s ARG 124 N -4.24 1.52 0.00 1.43 3.03 -1.26 -5.16 118.95 114.26 2bun s ARG 124 Ca 0.00 -0.39 0.01 0.00 2.03 0.00 0.00 55.73 57.38 2bun s ARG 124 Cb 0.00 -1.81 0.01 0.00 -1.03 0.00 0.00 34.95 32.12 2bun s ARG 124 CO 0.00 -0.34 0.54 0.94 -1.13 0.00 0.00 175.30 175.30