#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 3.70 0.21 1.96 2.56 -1.26 -4.93 118.70 120.94 2bun s GLU 6 Ca 0.00 1.58 -0.31 0.00 0.00 0.00 0.00 54.97 56.23 2bun s GLU 6 Cb 0.00 -2.21 -0.11 0.00 2.00 0.00 0.00 34.13 33.81 2bun s GLU 6 CO 0.00 -0.56 1.64 0.00 -0.56 0.00 0.00 175.26 175.78 2bun s ALA 7 N -1.75 3.84 0.22 6.30 0.00 -1.26 -5.00 121.76 124.11 2bun s ALA 7 Ca 0.67 1.50 0.08 0.00 0.00 0.00 0.00 51.96 54.21 2bun s ALA 7 Cb -0.23 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2bun s ALA 7 CO 0.27 -0.87 0.01 0.34 0.00 0.00 0.00 175.76 175.50 2bun s ASP 8 N 1.02 4.69 0.36 0.00 2.15 -1.26 -5.02 116.67 118.61 2bun s ASP 8 Ca 0.71 -0.50 0.05 0.00 0.43 0.00 0.00 52.55 53.23 2bun s ASP 8 Cb -0.47 -0.95 0.72 0.00 -0.30 0.00 0.00 42.92 41.92 2bun s ASP 8 CO 0.35 0.04 1.98 -0.37 -0.17 0.00 0.00 175.17 177.00 2bun h VAL 9 N 2.17 1.06 0.00 1.11 -1.51 -2.05 -3.47 116.25 113.57 2bun h VAL 9 Ca -0.46 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2bun h VAL 9 Cb 1.23 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2bun h VAL 9 CO 0.59 0.14 0.00 0.35 -1.23 0.00 0.00 177.57 177.42 2bun n THR 10 N -4.47 0.00 -2.73 7.19 -2.24 -1.26 -3.79 114.28 106.98 2bun n THR 10 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 2bun n THR 10 Cb 0.17 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2bun n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2bun s MET 11 N 0.00 3.39 0.00 -0.78 -1.94 -1.26 -4.93 119.30 113.78 2bun s MET 11 Ca 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 2bun s MET 11 Cb 0.00 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.79 2bun s MET 11 CO 0.00 -1.60 0.36 0.25 -0.01 0.00 0.00 175.02 174.02 2bun n THR 12 N 6.38 0.00 -3.28 2.05 -2.24 -1.25 -4.98 114.28 110.97 2bun n THR 12 Ca 0.04 0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 62.48 2bun n THR 12 Cb 0.48 -1.71 0.08 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.90 -0.66 0.00 3.38 0.00 -1.26 -5.02 105.19 102.53 2bun n GLY 13 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.09 0.00 -2.93 1.61 7.64 -1.25 -4.96 113.62 110.65 2bun n SER 14 Ca -0.18 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.32 2bun n SER 14 Cb 0.64 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.00 7.36 -4.67 6.43 5.68 -1.26 -4.69 116.55 125.40 2bun n ASP 15 Ca 0.00 -3.71 -0.25 0.00 -0.50 0.00 0.00 54.79 50.33 2bun n ASP 15 Cb 0.00 -1.11 -0.07 0.00 -1.14 0.00 0.00 41.12 38.79 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 -3.75 3.33 -0.01 -2.12 2.01 -1.21 -3.84 118.68 113.09 2bun s LEU 16 Ca 0.52 -0.44 -0.16 0.00 0.01 0.00 0.00 54.13 54.06 2bun s LEU 16 Cb 0.40 -1.94 0.03 0.00 0.01 0.00 0.00 46.19 44.69 2bun s LEU 16 CO -0.35 0.06 0.33 -0.69 1.01 0.00 0.00 176.35 176.70 2bun s VAL 17 N -1.90 0.06 -0.16 -1.59 1.01 0.18 0.38 120.40 118.37 2bun s VAL 17 Ca 0.29 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2bun s VAL 17 Cb -0.08 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.69 2bun s VAL 17 CO 0.19 -0.25 -0.06 -0.94 0.00 0.00 0.00 175.10 174.05 2bun s SER 18 N -1.35 2.82 -0.39 3.32 1.04 0.46 -0.31 113.70 119.29 2bun s SER 18 Ca -0.13 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.49 2bun s SER 18 Cb -0.05 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.16 2bun s SER 18 CO 0.04 -0.18 0.38 0.00 0.98 0.00 0.00 173.24 174.46 2bun s TYR 21 N -0.55 0.40 0.24 0.00 -0.85 0.01 -3.28 117.35 113.32 2bun s TYR 21 Ca 0.12 -0.88 0.09 0.00 -0.52 0.00 0.00 57.07 55.88 2bun s TYR 21 Cb -0.12 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 41.93 2bun s TYR 21 CO 0.02 -0.48 0.01 -0.98 -1.52 0.00 0.00 175.55 172.61 2bun s ARG 22 N -3.91 2.37 -0.13 -3.49 1.70 0.51 -1.25 118.95 114.74 2bun s ARG 22 Ca 0.08 -1.31 -0.12 0.00 -0.47 0.00 0.00 55.73 53.92 2bun s ARG 22 Cb 0.06 -2.24 0.04 0.00 -0.57 0.00 0.00 34.95 32.24 2bun s ARG 22 CO -0.09 0.39 0.35 -1.12 -1.08 0.00 0.00 175.30 173.75 2bun s SER 23 N -3.49 -0.37 -0.33 -2.89 0.01 0.06 -0.90 113.70 105.79 2bun s SER 23 Ca 0.30 0.71 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 2bun s SER 23 Cb -0.07 0.70 0.26 0.00 0.21 0.00 0.00 66.02 67.12 2bun s SER 23 CO 0.20 -0.13 1.91 0.18 0.41 0.00 0.00 173.24 175.81 2bun n LEU 24 N 3.01 6.27 0.00 2.44 7.99 -1.26 0.73 117.00 136.18 2bun n LEU 24 Ca -0.14 -3.24 0.00 0.00 -0.01 0.00 0.00 56.01 52.62 2bun n LEU 24 Cb 0.57 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 2bun n LEU 24 CO 0.14 1.16 0.00 0.00 -1.51 0.00 0.00 177.39 177.18 2bun n ALA 25 N 0.10 -0.27 -2.31 -1.18 0.00 -1.13 -4.51 120.51 111.20 2bun n ALA 25 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 2bun n ALA 25 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun s ALA 26 N 0.00 3.65 -1.97 0.00 0.00 -1.26 -4.71 121.76 117.47 2bun s ALA 26 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 51.96 52.67 2bun s ALA 26 Cb 0.00 -3.65 0.70 0.00 0.00 0.00 0.00 23.12 20.17 2bun s ALA 26 CO 0.00 -1.21 1.15 -0.35 0.00 0.00 0.00 175.76 175.34 2bun n PRO 27 N 6.67 0.36 -0.49 0.00 -0.04 -1.26 -2.22 135.00 138.03 2bun n PRO 27 Ca 0.15 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2bun n PRO 27 Cb 0.44 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.02 4.13 -4.94 3.54 5.75 -1.26 -4.98 116.55 117.77 2bun n ASP 28 Ca 0.09 -2.71 -0.25 0.00 -0.01 0.00 0.00 54.79 51.91 2bun n ASP 28 Cb 0.04 -0.51 0.05 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.30 3.03 -0.21 -2.12 1.43 -0.94 -5.07 118.68 112.50 2bun s LEU 29 Ca 0.42 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.88 2bun s LEU 29 Cb 0.31 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2bun s LEU 29 CO 0.14 -1.36 0.03 0.42 0.23 0.00 0.00 176.35 175.81 2bun s THR 30 N -3.07 4.17 0.29 5.49 -4.23 -1.26 -4.99 115.64 112.04 2bun s THR 30 Ca 0.58 -0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2bun s THR 30 Cb -0.11 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2bun s THR 30 CO 0.43 0.41 1.80 0.25 -0.54 0.00 0.00 174.62 176.98 2bun h LEU 31 N 7.51 0.83 -1.59 4.79 5.85 -1.99 -0.57 115.31 130.13 2bun h LEU 31 Ca -0.36 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2bun h LEU 31 Cb 1.18 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2bun h LEU 31 CO 0.62 0.37 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.96 2bun h ARG 32 N 0.86 0.21 -0.00 1.25 9.65 -1.97 0.12 114.38 124.50 2bun h ARG 32 Ca 0.53 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 59.23 2bun h ARG 32 Cb 0.70 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 2bun h ARG 32 CO -0.33 0.27 -0.73 -0.44 2.80 0.00 0.00 179.97 181.54 2bun h ASP 33 N 0.21 0.04 -0.45 -3.80 5.19 -1.54 0.15 116.42 116.22 2bun h ASP 33 Ca 0.05 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2bun h ASP 33 Cb 0.21 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2bun h ASP 33 CO 0.01 0.75 -0.16 -0.07 -3.12 0.00 0.00 179.24 176.65 2bun h LEU 34 N 0.02 0.95 0.00 1.55 -0.00 -0.38 0.24 115.31 117.69 2bun h LEU 34 Ca -0.01 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2bun h LEU 34 Cb 1.28 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2bun h LEU 34 CO 0.10 1.10 -0.20 0.18 -0.00 0.00 0.00 178.44 179.61 2bun n LEU 35 N -4.13 0.26 -0.01 1.67 4.77 -0.23 -0.55 117.00 118.79 2bun n LEU 35 Ca 0.01 0.32 -0.17 0.00 -0.03 0.00 0.00 56.01 56.14 2bun n LEU 35 Cb 0.42 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2bun n LEU 35 CO 0.45 0.03 0.28 -0.78 -1.33 0.00 0.00 177.39 176.04 2bun h ASP 36 N 0.00 0.27 -0.51 -1.43 1.82 -0.37 -3.29 116.42 112.91 2bun h ASP 36 Ca 0.00 -0.88 0.10 0.00 -0.39 0.00 0.00 57.03 55.87 2bun h ASP 36 Cb 0.53 -0.09 -0.10 0.00 0.68 0.00 0.00 39.33 40.35 2bun h ASP 36 CO 0.00 1.12 -0.16 0.40 -1.61 0.00 0.00 179.24 178.99 2bun h ILE 37 N -0.54 0.43 -0.71 2.25 2.04 -0.16 0.19 117.51 121.00 2bun h ILE 37 Ca -0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.92 2bun h ILE 37 Cb 1.22 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 37.64 2bun h ILE 37 CO 0.07 0.00 0.29 -0.37 0.00 0.00 0.00 178.15 178.14 2bun h VAL 38 N -0.04 0.70 -0.06 1.67 -1.51 -0.96 0.45 116.25 116.50 2bun h VAL 38 Ca 0.24 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 65.53 2bun h VAL 38 Cb 0.42 0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 29.79 2bun h VAL 38 CO -0.55 0.08 -0.10 -0.33 -1.23 0.00 0.00 177.57 175.45 2bun h GLU 39 N 0.45 0.17 -0.47 5.19 4.39 -1.28 -2.15 114.58 120.89 2bun h GLU 39 Ca 0.38 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 2bun h GLU 39 Cb 0.54 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2bun h GLU 39 CO -0.37 0.67 0.10 1.15 -1.16 0.00 0.00 179.01 179.40 2bun h THR 40 N -0.30 1.21 0.03 1.13 2.02 -0.24 -2.52 112.91 114.25 2bun h THR 40 Ca 0.01 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2bun h THR 40 Cb 0.65 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2bun h THR 40 CO 0.02 0.28 -0.01 0.28 0.37 0.00 0.00 175.52 176.45 2bun h SER 41 N 0.68 -0.04 -0.19 4.18 0.02 -0.04 -2.48 113.55 115.70 2bun h SER 41 Ca 0.15 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2bun h SER 41 Cb 0.28 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2bun h SER 41 CO -0.00 0.33 -0.19 1.56 -1.14 0.00 0.00 176.83 177.39 2bun h GLN 42 N -0.40 -0.20 0.00 3.45 4.20 -1.26 0.42 115.11 121.31 2bun h GLN 42 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2bun h GLN 42 Cb 0.38 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2bun h GLN 42 CO 0.01 -0.13 -0.12 0.00 -0.67 0.00 0.00 178.83 177.92 2bun h ALA 43 N 0.86 1.26 0.12 3.87 0.00 -1.49 0.20 119.26 124.08 2bun h ALA 43 Ca 0.12 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.56 2bun h ALA 43 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2bun h ALA 43 CO -0.31 0.15 -2.00 1.58 0.00 0.00 0.00 179.25 178.66 2bun n HIS 44 N -3.61 1.21 -0.09 0.00 -0.00 -0.71 -3.38 115.22 108.64 2bun n HIS 44 Ca -0.02 0.26 -0.11 0.00 -0.00 0.00 0.00 57.72 57.85 2bun n HIS 44 Cb 0.24 -1.16 -0.04 0.00 -0.00 0.00 0.00 29.99 29.03 2bun n HIS 44 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 2bun h ASN 45 N 0.07 0.48 -0.91 0.26 4.21 0.31 0.21 115.58 120.21 2bun h ASN 45 Ca -0.42 -0.33 0.02 0.00 1.21 0.00 0.00 56.30 56.78 2bun h ASN 45 Cb 2.03 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 39.05 2bun h ASN 45 CO 0.08 0.69 0.60 0.00 -1.29 0.00 0.00 177.43 177.52 2bun h ALA 46 N 0.80 1.39 0.13 -0.83 0.00 -0.79 0.44 119.26 120.41 2bun h ALA 46 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bun h ALA 46 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bun h ALA 46 CO 0.02 0.55 -0.06 -0.09 0.00 0.00 0.00 179.25 179.66 2bun h ARG 47 N 1.19 -0.17 0.00 0.00 2.43 -1.49 -2.98 114.38 113.36 2bun h ARG 47 Ca 0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2bun h ARG 47 Cb -0.07 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2bun h ARG 47 CO -0.09 0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 2bun n ALA 48 N -2.40 2.51 -1.63 2.80 0.00 0.72 -4.86 120.51 117.65 2bun n ALA 48 Ca -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 2bun n ALA 48 Cb 0.24 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.20 -0.36 -3.11 0.00 6.02 0.11 -4.75 117.38 114.09 2bun n GLN 49 Ca 0.17 0.44 -0.39 0.00 -0.01 0.00 0.00 57.00 57.21 2bun n GLN 49 Cb 0.20 -4.18 -0.05 0.00 1.02 0.00 0.00 30.24 27.23 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 -1.24 4.35 0.23 1.08 1.02 0.11 -4.78 118.68 119.45 2bun s LEU 50 Ca 0.00 1.17 0.08 0.00 0.02 0.00 0.00 54.13 55.40 2bun s LEU 50 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 2bun s LEU 50 CO 0.00 -0.04 0.05 0.42 0.02 0.00 0.00 176.35 176.80 2bun s THR 51 N 0.47 3.82 0.19 5.49 -4.23 0.71 -4.18 115.64 117.91 2bun s THR 51 Ca 0.35 -1.59 -0.22 0.00 -1.18 0.00 0.00 61.69 59.05 2bun s THR 51 Cb -0.18 -3.01 0.08 0.00 1.34 0.00 0.00 72.50 70.73 2bun s THR 51 CO 0.17 -0.27 1.03 -0.83 -0.54 0.00 0.00 174.62 174.18 2bun s GLY 52 N -3.45 0.12 -0.12 3.99 0.00 -0.03 0.78 107.32 108.61 2bun s GLY 52 Ca 0.30 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 2bun s GLY 52 CO 0.21 2.27 0.96 0.00 0.00 0.00 0.00 173.10 176.54 2bun s ALA 53 N -2.20 -1.90 -0.04 3.20 0.00 -1.05 -0.23 121.76 119.54 2bun s ALA 53 Ca 0.21 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 2bun s ALA 53 Cb -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.72 2bun s ALA 53 CO 0.05 -0.41 0.01 -1.17 0.00 0.00 0.00 175.76 174.24 2bun s LEU 54 N -1.46 0.96 -0.12 0.00 0.20 -0.25 -2.30 118.68 115.70 2bun s LEU 54 Ca -0.00 -0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.77 2bun s LEU 54 Cb -0.01 -0.24 -0.03 0.00 -0.43 0.00 0.00 46.19 45.48 2bun s LEU 54 CO -0.01 -0.13 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.53 2bun s PHE 55 N 1.30 3.05 -0.14 5.38 0.08 0.15 -0.63 117.98 127.17 2bun s PHE 55 Ca -0.06 -0.08 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 2bun s PHE 55 Cb -0.13 -1.87 0.07 0.00 -0.57 0.00 0.00 43.02 40.52 2bun s PHE 55 CO -0.02 0.18 0.20 -0.47 -0.10 0.00 0.00 175.22 175.01 2bun s TYR 56 N -0.22 -0.25 -0.08 0.36 6.14 -1.26 0.01 117.35 122.05 2bun s TYR 56 Ca 0.04 0.51 -0.10 0.00 0.64 0.00 0.00 57.07 58.16 2bun s TYR 56 Cb -0.13 -0.27 0.02 0.00 0.42 0.00 0.00 41.96 42.01 2bun s TYR 56 CO 0.02 -0.42 0.27 -1.54 0.64 0.00 0.00 175.55 174.53 2bun s SER 57 N 2.33 -0.25 0.00 4.32 1.04 -0.54 -4.88 113.70 115.71 2bun s SER 57 Ca 0.04 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2bun s SER 57 Cb -0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2bun s SER 57 CO -0.09 -0.17 0.00 1.67 0.98 0.00 0.00 173.24 175.63 2bun n GLN 58 N 2.57 0.00 -0.62 4.02 -0.06 0.70 -0.74 117.38 123.25 2bun n GLN 58 Ca -0.15 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.84 2bun n GLN 58 Cb 0.58 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.75 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bun n GLY 59 N 0.00 0.82 3.18 1.69 0.00 -1.26 -4.61 105.19 105.01 2bun n GLY 59 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2bun n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bun s VAL 60 N 0.00 1.54 -0.09 1.61 -7.23 0.08 -2.85 120.40 113.47 2bun s VAL 60 Ca 0.02 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.33 2bun s VAL 60 Cb 0.02 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2bun s VAL 60 CO -0.01 0.44 0.12 -0.36 -0.31 0.00 0.00 175.10 174.98 2bun s PHE 61 N -0.28 3.50 -0.10 2.82 0.08 0.22 -1.47 117.98 122.76 2bun s PHE 61 Ca 0.03 0.43 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 2bun s PHE 61 Cb -0.09 -1.88 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2bun s PHE 61 CO 0.00 0.67 0.06 0.12 -0.10 0.00 0.00 175.22 175.97 2bun s PHE 62 N -1.07 0.31 -0.01 0.36 5.36 0.10 -0.76 117.98 122.28 2bun s PHE 62 Ca 0.17 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2bun s PHE 62 Cb -0.12 -0.66 0.01 0.00 -0.34 0.00 0.00 43.02 41.91 2bun s PHE 62 CO 0.07 -0.36 0.00 -1.14 -1.46 0.00 0.00 175.22 172.33 2bun s GLN 63 N 2.09 0.09 0.13 10.12 -0.44 -0.38 0.33 119.66 131.60 2bun s GLN 63 Ca 0.03 0.05 -0.04 0.00 -2.50 0.00 0.00 55.36 52.90 2bun s GLN 63 Cb -0.14 -0.21 -0.03 0.00 -1.64 0.00 0.00 33.01 31.00 2bun s GLN 63 CO -0.06 -0.06 0.13 1.67 0.50 0.00 0.00 175.29 177.48 2bun s TRP 64 N 0.48 0.64 -0.03 1.67 -2.14 -0.97 -0.81 118.94 117.77 2bun s TRP 64 Ca -0.04 -1.03 -0.06 0.00 2.66 0.00 0.00 56.10 57.63 2bun s TRP 64 Cb -0.06 -0.31 0.01 0.00 -3.10 0.00 0.00 33.47 30.01 2bun s TRP 64 CO -0.01 -0.58 0.14 -0.48 -2.66 0.00 0.00 176.95 173.36 2bun s LEU 65 N -3.00 1.51 -0.23 -4.66 2.34 -1.10 -2.51 118.68 111.03 2bun s LEU 65 Ca 0.19 0.09 -0.08 0.00 0.06 0.00 0.00 54.13 54.40 2bun s LEU 65 Cb 0.06 0.55 -0.04 0.00 -0.56 0.00 0.00 46.19 46.20 2bun s LEU 65 CO -0.01 -0.17 0.09 -1.61 -1.06 0.00 0.00 176.35 173.59 2bun s GLU 66 N -0.48 3.82 0.16 1.48 2.02 0.23 -2.53 118.70 123.40 2bun s GLU 66 Ca -0.06 -0.40 -0.23 0.00 0.02 0.00 0.00 54.97 54.30 2bun s GLU 66 Cb -0.04 -3.34 0.08 0.00 0.10 0.00 0.00 34.13 30.93 2bun s GLU 66 CO 0.01 -0.02 1.04 0.20 0.02 0.00 0.00 175.26 176.51 2bun s GLY 67 N 1.19 -0.01 0.12 -1.39 0.00 0.58 -0.21 107.32 107.60 2bun s GLY 67 Ca 0.05 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 2bun s GLY 67 CO 0.04 1.75 1.37 -1.58 0.00 0.00 0.00 173.10 174.67 2bun s HIS 68 N -2.46 3.26 0.16 1.90 2.46 -1.25 0.49 115.29 119.84 2bun s HIS 68 Ca 0.19 1.01 -0.08 0.00 0.47 0.00 0.00 55.06 56.65 2bun s HIS 68 Cb -0.02 -3.66 0.22 0.00 -0.13 0.00 0.00 32.58 28.99 2bun s HIS 68 CO 0.04 -2.25 0.99 -2.30 -2.47 0.00 0.00 174.74 168.74 2bun n PRO 69 N 3.76 -0.10 0.20 2.88 -0.01 -1.25 0.12 135.00 140.59 2bun n PRO 69 Ca 0.11 0.98 0.07 0.00 -0.01 0.00 0.00 63.50 64.65 2bun n PRO 69 Cb 0.43 -1.46 0.37 0.00 -0.01 0.00 0.00 33.50 32.83 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 1.06 0.99 -0.18 3.55 0.00 -1.94 0.89 119.26 123.64 2bun h ALA 70 Ca 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2bun h ALA 70 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bun h ALA 70 CO -0.64 0.39 -0.21 0.00 0.00 0.00 0.00 179.25 178.80 2bun h ALA 71 N 1.68 0.27 -0.88 0.00 0.00 -0.69 0.11 119.26 119.75 2bun h ALA 71 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bun h ALA 71 Cb 0.86 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2bun h ALA 71 CO 0.04 0.21 0.57 0.28 0.00 0.00 0.00 179.25 180.35 2bun h VAL 72 N 0.12 1.23 -0.02 0.00 2.07 -1.02 0.46 116.25 119.08 2bun h VAL 72 Ca 0.03 -0.46 -0.19 0.00 0.82 0.00 0.00 66.70 66.90 2bun h VAL 72 Cb 0.76 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2bun h VAL 72 CO 0.05 0.23 -0.80 0.00 0.02 0.00 0.00 177.57 177.07 2bun h ALA 73 N 1.31 0.59 -0.75 1.67 0.00 -0.73 0.53 119.26 121.88 2bun h ALA 73 Ca 0.32 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2bun h ALA 73 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2bun h ALA 73 CO -0.07 0.85 0.30 1.49 0.00 0.00 0.00 179.25 181.82 2bun h GLU 74 N 0.16 1.12 0.41 0.00 4.22 -0.20 0.40 114.58 120.70 2bun h GLU 74 Ca -0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 59.36 59.18 2bun h GLU 74 Cb 1.40 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2bun h GLU 74 CO 0.13 0.92 -0.20 0.28 -2.18 0.00 0.00 179.01 177.96 2bun h VAL 75 N 1.08 0.60 -0.38 0.32 2.07 -0.67 -2.39 116.25 116.87 2bun h VAL 75 Ca 0.25 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2bun h VAL 75 Cb 0.22 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 2bun h VAL 75 CO -0.02 0.02 -0.23 0.24 0.02 0.00 0.00 177.57 177.60 2bun h MET 76 N -0.62 -0.16 -0.96 1.57 2.86 0.54 -0.64 114.93 117.52 2bun h MET 76 Ca -0.06 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2bun h MET 76 Cb 0.46 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 2bun h MET 76 CO 0.09 -0.11 0.61 1.03 1.06 0.00 0.00 176.91 179.60 2bun h SER 77 N -0.17 0.97 0.73 1.22 0.87 -0.17 0.75 113.55 117.74 2bun h SER 77 Ca 0.19 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2bun h SER 77 Cb 0.46 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2bun h SER 77 CO -0.49 0.61 -0.35 0.45 -0.53 0.00 0.00 176.83 176.52 2bun h HIS 78 N 1.10 -0.91 0.00 2.24 3.86 -0.83 -3.30 115.15 117.31 2bun h HIS 78 Ca 0.42 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.50 2bun h HIS 78 Cb 0.19 0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 2bun h HIS 78 CO -0.01 -0.55 -0.51 0.82 0.86 0.00 0.00 177.93 178.54 2bun h ILE 79 N -1.06 1.18 0.00 2.45 2.04 -0.23 -3.02 117.51 118.87 2bun h ILE 79 Ca -0.10 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.89 2bun h ILE 79 Cb 0.77 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2bun h ILE 79 CO 0.16 0.50 0.00 1.56 0.00 0.00 0.00 178.15 180.38 2bun h GLN 80 N 0.00 0.00 -0.51 2.37 1.08 0.39 -2.07 115.11 116.37 2bun h GLN 80 Ca -0.01 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2bun h GLN 80 Cb 1.02 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 2bun h GLN 80 CO 0.07 0.00 0.35 0.00 -0.95 0.00 0.00 178.83 178.30 2bun h ARG 81 N 0.00 0.24 -4.08 1.46 3.08 -1.62 -3.48 114.38 109.98 2bun h ARG 81 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2bun h ARG 81 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2bun h ARG 81 CO 0.00 0.16 -0.61 -3.47 -1.07 0.00 0.00 179.97 174.98 2bun n ASP 82 N -4.45 -5.75 0.00 7.04 -0.08 -0.78 -5.03 116.55 107.49 2bun n ASP 82 Ca 0.08 1.35 0.00 0.00 -1.51 0.00 0.00 54.79 54.71 2bun n ASP 82 Cb 0.41 -3.80 0.00 0.00 2.34 0.00 0.00 41.12 40.07 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2bun n ARG 83 N 1.84 0.00 -1.21 -0.67 1.85 -1.26 -4.91 116.66 112.29 2bun n ARG 83 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 2bun n ARG 83 Cb 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 31.55 2bun n ARG 83 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2bun n ARG 84 N -1.29 2.33 -2.21 2.89 3.00 -1.26 -4.87 116.66 115.25 2bun n ARG 84 Ca 0.00 -2.96 -0.02 0.00 -0.00 0.00 0.00 57.85 54.88 2bun n ARG 84 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 32.46 30.31 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 -0.99 -1.01 -0.49 -0.14 1.44 -1.26 -4.84 115.22 107.93 2bun n HIS 85 Ca 0.58 -0.50 0.04 0.00 -2.01 0.00 0.00 57.72 55.83 2bun n HIS 85 Cb 1.31 0.25 0.05 0.00 0.12 0.00 0.00 29.99 31.72 2bun n HIS 85 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2bun n SER 86 N -0.92 2.02 0.13 4.39 7.64 -1.26 -4.21 113.62 121.40 2bun n SER 86 Ca -0.01 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.49 2bun n SER 86 Cb 0.21 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2bun n SER 86 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2bun n ASN 87 N -0.83 -2.25 -3.59 6.43 4.05 -1.26 -4.47 115.26 113.34 2bun n ASN 87 Ca 0.06 0.66 -0.32 0.00 0.45 0.00 0.00 54.58 55.43 2bun n ASN 87 Cb 0.42 2.29 0.02 0.00 1.23 0.00 0.00 39.78 43.74 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 2bun n VAL 88 N -3.12 -4.04 -3.64 3.44 3.14 -1.21 -4.96 118.33 107.94 2bun n VAL 88 Ca 0.00 0.06 -0.39 0.00 -2.96 0.00 0.00 64.34 61.05 2bun n VAL 88 Cb 0.00 -3.49 -0.10 0.00 -1.06 0.00 0.00 33.84 29.19 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 -3.45 2.37 0.00 1.45 0.41 -0.08 -4.93 118.70 114.47 2bun s GLU 89 Ca 0.22 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 2bun s GLU 89 Cb -0.02 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 28.56 2bun s GLU 89 CO 0.88 -1.08 0.70 -0.89 -0.49 0.00 0.00 175.26 174.38 2bun n ILE 90 N 4.81 0.00 0.00 -1.63 2.08 -1.26 -0.36 119.36 123.00 2bun n ILE 90 Ca -0.07 1.20 0.00 0.00 0.56 0.00 0.00 62.75 64.44 2bun n ILE 90 Cb 0.41 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.33 2bun n ILE 90 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2bun n LEU 91 N -1.42 0.00 -3.79 1.39 4.77 -1.26 -3.99 117.00 112.70 2bun n LEU 91 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2bun n LEU 91 Cb 0.00 -0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 40.78 2bun n LEU 91 CO 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 175.67 2bun s ALA 92 N -0.97 1.15 -0.18 -1.18 0.00 -1.21 -5.05 121.76 114.33 2bun s ALA 92 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2bun s ALA 92 Cb 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 22.06 2bun s ALA 92 CO 0.00 -0.97 0.03 -1.21 0.00 0.00 0.00 175.76 173.61 2bun s GLU 93 N 1.78 0.62 0.03 0.00 2.02 -1.26 -0.13 118.70 121.76 2bun s GLU 93 Ca -0.00 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.66 2bun s GLU 93 Cb -0.16 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 2bun s GLU 93 CO -0.07 -0.60 -0.06 -1.83 0.02 0.00 0.00 175.26 172.72 2bun s GLU 94 N 1.89 0.43 -0.12 1.61 -1.05 -0.86 -4.99 118.70 115.61 2bun s GLU 94 Ca -0.00 -0.65 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 2bun s GLU 94 Cb -0.16 -0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.34 2bun s GLU 94 CO -0.08 0.02 1.33 -1.12 0.95 0.00 0.00 175.26 176.36 2bun s SER 95 N -1.39 6.91 0.46 0.83 0.01 -1.26 -0.40 113.70 118.85 2bun s SER 95 Ca -0.11 1.82 0.01 0.00 1.31 0.00 0.00 55.95 58.98 2bun s SER 95 Cb -0.09 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.60 2bun s SER 95 CO -0.00 -0.76 0.04 2.30 0.41 0.00 0.00 173.24 175.23 2bun n ILE 96 N 5.24 0.00 0.78 1.44 -5.35 0.16 -4.87 119.36 116.75 2bun n ILE 96 Ca 0.14 -2.12 0.09 0.00 -0.27 0.00 0.00 62.75 60.59 2bun n ILE 96 Cb 0.45 0.37 0.01 0.00 -1.74 0.00 0.00 39.64 38.72 2bun n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bun n ALA 97 N -1.61 3.17 -0.74 -1.28 0.00 -1.26 -3.34 120.51 115.45 2bun n ALA 97 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2bun n ALA 97 Cb 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.03 0.00 -1.03 0.00 4.81 -1.26 -4.48 118.16 116.23 2bun n LYS 98 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2bun n LYS 98 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2bun n ARG 99 N -1.39 0.00 -0.07 1.64 3.00 -1.26 -4.96 116.66 113.61 2bun n ARG 99 Ca 0.00 0.27 -0.11 0.00 -0.00 0.00 0.00 57.85 58.01 2bun n ARG 99 Cb 0.00 -3.04 -0.08 0.00 0.00 0.00 0.00 32.46 29.35 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bun h ARG 100 N 0.00 0.00 0.00 -0.14 3.08 -1.98 -3.39 114.38 111.95 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2bun h ARG 100 CO 0.00 0.61 -1.26 1.19 -1.07 0.00 0.00 179.97 179.44 2bun n PHE 101 N -4.61 0.00 0.00 3.04 3.01 -1.26 -4.96 117.46 112.68 2bun n PHE 101 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2bun n PHE 101 Cb 0.39 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.72 0.00 -3.19 4.37 0.00 -1.26 -4.73 120.51 113.97 2bun n ALA 102 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2bun n ALA 102 Cb 0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.54 0.63 0.02 0.00 0.00 -1.26 -4.87 107.32 100.31 2bun s GLY 103 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 2bun s GLY 103 CO 0.00 -0.64 0.54 0.86 0.00 0.00 0.00 173.10 173.86 2bun s TRP 104 N -3.81 3.74 0.33 1.90 -0.00 -1.24 -0.85 118.94 119.00 2bun s TRP 104 Ca 0.23 1.17 0.09 0.00 -0.00 0.00 0.00 56.10 57.59 2bun s TRP 104 Cb -0.01 -2.49 -0.06 0.00 -0.00 0.00 0.00 33.47 30.90 2bun s TRP 104 CO 0.10 0.50 -0.10 -1.01 -0.00 0.00 0.00 176.95 176.45 2bun s HIS 105 N -0.72 2.31 -0.16 5.86 3.76 0.68 -4.78 115.29 122.23 2bun s HIS 105 Ca 0.28 -0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 2bun s HIS 105 Cb -0.18 -1.30 0.05 0.00 1.11 0.00 0.00 32.58 32.25 2bun s HIS 105 CO 0.17 0.53 0.42 1.41 -0.85 0.00 0.00 174.74 176.42 2bun s MET 106 N -3.63 0.46 0.17 1.40 1.75 -1.26 -1.09 119.30 117.10 2bun s MET 106 Ca 0.32 0.65 -0.07 0.00 -1.25 0.00 0.00 55.69 55.33 2bun s MET 106 Cb 0.02 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.88 2bun s MET 106 CO 0.15 -0.09 1.49 0.37 -0.65 0.00 0.00 175.02 176.30 2bun h GLN 107 N 6.01 0.77 -3.71 4.11 5.75 -1.24 -3.36 115.11 123.43 2bun h GLN 107 Ca -0.30 -0.43 -0.79 0.00 -0.15 0.00 0.00 58.65 56.97 2bun h GLN 107 Cb 1.18 0.03 -0.27 0.00 1.07 0.00 0.00 27.48 29.49 2bun h GLN 107 CO 0.26 1.06 0.37 -1.17 -2.65 0.00 0.00 178.83 176.70 2bun s LEU 108 N -8.65 6.42 -0.30 -2.39 0.20 -1.26 -4.48 118.68 108.22 2bun s LEU 108 Ca -0.09 -3.28 -0.00 0.00 0.69 0.00 0.00 54.13 51.45 2bun s LEU 108 Cb 0.11 -2.22 0.19 0.00 -0.43 0.00 0.00 46.19 43.85 2bun s LEU 108 CO 0.86 -0.40 0.76 -0.55 -0.29 0.00 0.00 176.35 176.74 2bun s SER 109 N 1.66 -1.17 0.00 3.68 0.15 -1.26 -4.93 113.70 111.83 2bun s SER 109 Ca 0.27 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2bun s SER 109 Cb -0.10 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2bun s SER 109 CO -0.08 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.15 2bun n SER 111 N 2.33 -4.95 -4.95 0.00 7.64 -1.26 -4.88 113.62 107.55 2bun n SER 111 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2bun n SER 111 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2bun n SER 111 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2bun s GLU 112 N 0.00 2.83 -0.02 1.43 2.02 -1.26 -4.95 118.70 118.75 2bun s GLU 112 Ca 0.00 -0.43 0.25 0.00 0.02 0.00 0.00 54.97 54.81 2bun s GLU 112 Cb 0.00 -2.44 0.42 0.00 0.10 0.00 0.00 34.13 32.20 2bun s GLU 112 CO 0.00 -0.55 1.16 0.00 0.02 0.00 0.00 175.26 175.88 2bun n ALA 113 N -2.33 2.44 -0.06 5.21 0.00 -1.26 -4.79 120.51 119.72 2bun n ALA 113 Ca 0.04 -2.30 -0.07 0.00 0.00 0.00 0.00 53.44 51.11 2bun n ALA 113 Cb 0.58 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 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 0.39 1.54 -0.08 0.00 2.03 -1.26 -4.87 116.55 114.30 2bun n ASP 114 Ca 0.04 0.26 -0.06 0.00 0.52 0.00 0.00 54.79 55.55 2bun n ASP 114 Cb 1.10 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 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 -4.05 0.48 0.00 -0.67 2.81 -1.26 -4.95 117.12 109.48 2bun n MET 115 Ca -0.11 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2bun n MET 115 Cb 0.39 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 -4.56 0.00 0.00 0.03 5.12 -1.26 -4.55 116.66 111.44 2bun n ARG 116 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2bun n ARG 116 Cb 0.35 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.67 2bun n ARG 116 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2bun n SER 117 N 0.96 0.00 0.00 0.55 7.64 -1.26 -0.80 113.62 120.71 2bun n SER 117 Ca 0.00 0.19 0.07 0.00 1.01 0.00 0.00 58.87 60.14 2bun n SER 117 Cb 0.00 -0.20 0.40 0.00 -1.01 0.00 0.00 64.21 63.39 2bun n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun n LEU 118 N -1.20 0.00 0.00 -3.43 -0.00 -1.26 -4.70 117.00 106.40 2bun n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2bun n LEU 118 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2bun n LEU 118 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2bun n GLY 119 N 0.42 0.99 1.37 1.47 0.00 -1.07 -0.21 105.19 108.16 2bun n GLY 119 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2bun n GLY 119 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bun n LEU 120 N 0.00 4.04 -4.57 0.99 7.94 -0.33 -4.75 117.00 120.32 2bun n LEU 120 Ca 0.00 -2.05 -0.34 0.00 -1.11 0.00 0.00 56.01 52.51 2bun n LEU 120 Cb 0.00 -0.50 -0.04 0.00 0.53 0.00 0.00 43.42 43.41 2bun n LEU 120 CO 0.00 0.97 1.50 0.00 -1.11 0.00 0.00 177.39 178.74 2bun s ALA 121 N -1.10 2.23 0.14 1.96 0.00 0.02 -4.64 121.76 120.38 2bun s ALA 121 Ca 0.49 -2.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 2bun s ALA 121 Cb 0.26 -4.58 -0.07 0.00 0.00 0.00 0.00 23.12 18.73 2bun s ALA 121 CO 0.32 -4.31 1.33 1.49 0.00 0.00 0.00 175.76 174.59 2bun h GLU 122 N 10.07 0.39 -6.20 0.00 4.22 -1.88 -3.44 114.58 117.73 2bun h GLU 122 Ca 0.20 -0.40 -0.56 0.00 0.08 0.00 0.00 59.36 58.67 2bun h GLU 122 Cb 0.98 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.35 2bun h GLU 122 CO 1.31 1.07 1.33 -1.13 -2.18 0.00 0.00 179.01 179.41 2bun n SER 123 N -3.75 3.72 -0.37 1.04 3.41 -1.26 -4.84 113.62 111.57 2bun n SER 123 Ca -0.06 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 2bun n SER 123 Cb 0.82 -1.52 0.57 0.00 -0.26 0.00 0.00 64.21 63.82 2bun n SER 123 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2bun n ARG 124 N 7.94 1.42 0.00 4.33 0.00 -1.26 -5.09 116.66 124.01 2bun n ARG 124 Ca 0.25 -0.74 0.00 0.00 -0.00 0.00 0.00 57.85 57.36 2bun n ARG 124 Cb 0.41 -1.48 0.00 0.00 -0.00 0.00 0.00 32.46 31.38 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57