#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 3.60 0.25 3.23 2.56 -1.26 -4.96 118.70 122.12 2bun s GLU 6 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 54.97 56.41 2bun s GLU 6 Cb 0.00 -2.27 -0.09 0.00 2.00 0.00 0.00 34.13 33.77 2bun s GLU 6 CO 0.00 -0.67 1.19 0.00 -0.56 0.00 0.00 175.26 175.21 2bun s ALA 7 N -1.61 3.44 0.26 6.30 0.00 -1.26 -5.02 121.76 123.88 2bun s ALA 7 Ca 0.67 1.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.54 2bun s ALA 7 Cb -0.27 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 2bun s ALA 7 CO 0.33 -0.35 0.58 0.34 0.00 0.00 0.00 175.76 176.65 2bun s ASP 8 N -0.38 6.59 0.32 0.00 -1.08 -1.26 -4.98 116.67 115.88 2bun s ASP 8 Ca 0.49 0.91 0.05 0.00 -0.52 0.00 0.00 52.55 53.48 2bun s ASP 8 Cb -0.34 -2.22 0.69 0.00 -1.46 0.00 0.00 42.92 39.59 2bun s ASP 8 CO 0.42 -0.13 1.86 -0.37 0.52 0.00 0.00 175.17 177.46 2bun h VAL 9 N 1.79 0.89 -1.42 1.11 -1.51 -2.02 -3.48 116.25 111.60 2bun h VAL 9 Ca -0.47 -0.29 0.11 0.00 -1.23 0.00 0.00 66.70 64.82 2bun h VAL 9 Cb 1.18 -0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.28 2bun h VAL 9 CO 0.68 0.15 -0.14 0.35 -1.23 0.00 0.00 177.57 177.38 2bun n THR 10 N -4.58 0.00 -2.68 7.19 -2.24 -1.26 -4.05 114.28 106.66 2bun n THR 10 Ca 0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.53 2bun n THR 10 Cb 0.40 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.82 3.92 0.00 -0.78 -1.94 -1.26 -4.66 119.30 113.76 2bun s MET 11 Ca 0.00 -1.96 0.00 0.00 -1.71 0.00 0.00 55.69 52.02 2bun s MET 11 Cb 0.00 -5.37 0.00 0.00 2.01 0.00 0.00 34.83 31.47 2bun s MET 11 CO 0.00 -2.11 0.00 0.25 -0.01 0.00 0.00 175.02 173.15 2bun n THR 12 N 6.04 0.00 -3.51 2.05 -2.24 -1.26 -5.00 114.28 110.36 2bun n THR 12 Ca 0.42 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.20 2bun n THR 12 Cb 0.46 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 2bun n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2bun s GLY 13 N -0.88 -0.18 0.00 3.38 0.00 -1.26 -4.80 107.32 103.58 2bun s GLY 13 Ca 0.00 3.01 0.00 0.00 0.00 0.00 0.00 44.72 47.73 2bun s GLY 13 CO 0.00 2.98 0.00 1.44 0.00 0.00 0.00 173.10 177.52 2bun n SER 14 N 4.56 0.00 -2.63 1.64 7.64 -1.25 -4.97 113.62 118.61 2bun n SER 14 Ca -0.13 -0.62 -0.35 0.00 1.01 0.00 0.00 58.87 58.77 2bun n SER 14 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.33 6.86 -4.67 6.43 5.75 -1.26 -4.71 116.55 123.62 2bun n ASP 15 Ca 0.00 -3.80 -0.23 0.00 -0.01 0.00 0.00 54.79 50.75 2bun n ASP 15 Cb 0.00 -0.88 -0.07 0.00 -1.03 0.00 0.00 41.12 39.14 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 -3.89 3.15 -0.03 -2.12 2.01 -1.04 -3.84 118.68 112.91 2bun s LEU 16 Ca 0.54 -0.79 -0.14 0.00 0.01 0.00 0.00 54.13 53.75 2bun s LEU 16 Cb 0.45 -1.61 0.02 0.00 0.01 0.00 0.00 46.19 45.06 2bun s LEU 16 CO -0.25 -0.17 0.31 -0.69 1.01 0.00 0.00 176.35 176.56 2bun s VAL 17 N -2.42 0.05 -0.20 -1.59 1.01 0.16 -0.23 120.40 117.17 2bun s VAL 17 Ca 0.34 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2bun s VAL 17 Cb -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.81 2bun s VAL 17 CO 0.21 -0.23 -0.05 -0.55 0.00 0.00 0.00 175.10 174.48 2bun s SER 18 N -1.11 3.39 -0.27 3.32 0.15 0.18 -0.61 113.70 118.75 2bun s SER 18 Ca -0.12 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.46 2bun s SER 18 Cb -0.05 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2bun s SER 18 CO 0.04 -0.21 0.28 0.00 1.20 0.00 0.00 173.24 174.54 2bun s TYR 21 N 1.10 2.95 -0.32 0.00 -0.85 0.39 -3.63 117.35 116.99 2bun s TYR 21 Ca -0.02 -0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 56.44 2bun s TYR 21 Cb -0.20 -1.58 0.02 0.00 0.38 0.00 0.00 41.96 40.58 2bun s TYR 21 CO -0.05 0.43 0.10 0.50 -1.52 0.00 0.00 175.55 175.02 2bun s ARG 22 N -1.80 2.89 0.35 -3.49 3.00 0.60 -1.64 118.95 118.85 2bun s ARG 22 Ca 0.21 -1.00 0.06 0.00 -1.00 0.00 0.00 55.73 53.99 2bun s ARG 22 Cb -0.11 -3.44 -0.07 0.00 0.00 0.00 0.00 34.95 31.33 2bun s ARG 22 CO 0.12 -0.55 0.02 0.45 0.00 0.00 0.00 175.30 175.34 2bun s SER 23 N 1.47 2.99 0.41 -2.12 0.15 0.99 -1.57 113.70 116.02 2bun s SER 23 Ca 0.01 -1.33 0.08 0.00 0.70 0.00 0.00 55.95 55.40 2bun s SER 23 Cb -0.18 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.89 2bun s SER 23 CO 0.03 -0.49 0.33 -0.76 1.20 0.00 0.00 173.24 173.54 2bun s LEU 24 N -3.56 3.34 -0.15 3.45 2.01 0.43 0.48 118.68 124.68 2bun s LEU 24 Ca 0.35 -0.81 -0.06 0.00 0.01 0.00 0.00 54.13 53.62 2bun s LEU 24 Cb 0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 2bun s LEU 24 CO 0.16 -0.61 0.05 0.00 1.01 0.00 0.00 176.35 176.95 2bun s ALA 25 N -2.49 3.40 0.32 4.21 0.00 -0.00 0.40 121.76 127.58 2bun s ALA 25 Ca 0.46 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2bun s ALA 25 Cb -0.02 -1.79 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 2bun s ALA 25 CO 0.27 0.34 1.03 0.00 0.00 0.00 0.00 175.76 177.39 2bun s ALA 26 N -0.11 3.27 -0.38 0.00 0.00 -1.24 -4.58 121.76 118.71 2bun s ALA 26 Ca 0.06 0.73 0.21 0.00 0.00 0.00 0.00 51.96 52.96 2bun s ALA 26 Cb -0.12 -3.27 1.00 0.00 0.00 0.00 0.00 23.12 20.73 2bun s ALA 26 CO 0.01 -0.06 1.63 -0.35 0.00 0.00 0.00 175.76 176.99 2bun n PRO 27 N 0.77 0.14 0.23 0.00 -0.04 -1.26 -1.12 135.00 133.72 2bun n PRO 27 Ca 0.01 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 2bun n PRO 27 Cb 0.47 -1.88 0.50 0.00 -0.04 0.00 0.00 33.50 32.56 2bun n PRO 27 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2bun h ASP 28 N 0.00 0.00 -4.17 3.54 3.58 -1.90 -3.45 116.42 114.02 2bun h ASP 28 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2bun h ASP 28 Cb 0.14 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.33 2bun h ASP 28 CO 0.00 0.21 0.40 -0.76 -2.88 0.00 0.00 179.24 176.21 2bun s LEU 29 N -6.84 3.37 0.07 2.28 1.43 -0.27 -5.05 118.68 113.66 2bun s LEU 29 Ca 0.00 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2bun s LEU 29 Cb 0.11 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2bun s LEU 29 CO 0.63 -2.09 -0.05 -0.89 0.23 0.00 0.00 176.35 174.18 2bun s THR 30 N -1.97 0.41 0.19 5.49 2.01 -1.26 -5.04 115.64 115.47 2bun s THR 30 Ca 0.74 -1.77 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 2bun s THR 30 Cb -0.28 -1.47 0.11 0.00 0.01 0.00 0.00 72.50 70.86 2bun s THR 30 CO 0.43 -0.90 1.75 0.25 -0.69 0.00 0.00 174.62 175.47 2bun h LEU 31 N 3.23 0.23 -2.04 4.42 5.85 -2.00 -0.12 115.31 124.88 2bun h LEU 31 Ca -0.34 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2bun h LEU 31 Cb 1.16 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2bun h LEU 31 CO 0.63 0.15 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.70 2bun h ARG 32 N 0.40 0.00 -0.29 1.25 9.65 -1.98 0.12 114.38 123.54 2bun h ARG 32 Ca 0.26 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2bun h ARG 32 Cb 0.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2bun h ARG 32 CO -0.25 0.09 -0.08 -0.44 2.80 0.00 0.00 179.97 182.09 2bun h ASP 33 N 0.00 0.57 -0.61 -3.80 3.32 -1.45 0.27 116.42 114.73 2bun h ASP 33 Ca -0.00 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 2bun h ASP 33 Cb 0.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2bun h ASP 33 CO 0.01 0.82 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.27 2bun h LEU 34 N 0.32 1.06 -0.62 1.55 -0.00 -0.22 0.80 115.31 118.19 2bun h LEU 34 Ca 0.07 -0.31 -0.13 0.00 -0.00 0.00 0.00 57.88 57.51 2bun h LEU 34 Cb 0.57 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 2bun h LEU 34 CO 0.03 1.11 -0.35 -0.07 -0.00 0.00 0.00 178.44 179.17 2bun h LEU 35 N 0.98 0.73 -0.54 1.67 -0.00 -1.05 0.44 115.31 117.54 2bun h LEU 35 Ca 0.17 -0.31 -0.15 0.00 -0.00 0.00 0.00 57.88 57.59 2bun h LEU 35 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2bun h LEU 35 CO 0.03 1.01 -0.43 -0.78 -0.00 0.00 0.00 178.44 178.28 2bun h ASP 36 N 0.59 0.76 0.42 -0.43 3.58 -0.16 -1.06 116.42 120.11 2bun h ASP 36 Ca 0.06 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2bun h ASP 36 Cb 0.87 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2bun h ASP 36 CO 0.08 1.08 -0.36 0.40 -2.88 0.00 0.00 179.24 177.56 2bun h ILE 37 N 0.57 0.27 -0.61 2.25 2.04 -0.47 -0.32 117.51 121.24 2bun h ILE 37 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2bun h ILE 37 Cb 0.97 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2bun h ILE 37 CO 0.09 0.00 0.39 1.62 0.00 0.00 0.00 178.15 180.25 2bun h VAL 38 N -0.78 1.11 -0.30 1.67 3.04 -0.80 0.32 116.25 120.51 2bun h VAL 38 Ca -0.04 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 2bun h VAL 38 Cb 0.68 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2bun h VAL 38 CO -0.03 0.14 0.16 -0.33 -1.01 0.00 0.00 177.57 176.51 2bun h GLU 39 N 0.78 0.42 -0.11 4.17 5.08 -1.13 -2.11 114.58 121.66 2bun h GLU 39 Ca 0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2bun h GLU 39 Cb -0.02 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2bun h GLU 39 CO -0.08 0.36 0.00 1.15 -1.00 0.00 0.00 179.01 179.44 2bun h THR 40 N 0.36 1.25 0.38 1.13 2.02 -0.78 -3.24 112.91 114.03 2bun h THR 40 Ca 0.10 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2bun h THR 40 Cb 0.06 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2bun h THR 40 CO -0.02 0.23 -0.46 -1.28 0.37 0.00 0.00 175.52 174.37 2bun h SER 41 N -0.07 -1.29 -0.51 4.18 0.87 -0.23 -2.05 113.55 114.45 2bun h SER 41 Ca 0.03 0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 2bun h SER 41 Cb 0.36 0.44 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 2bun h SER 41 CO 0.01 -0.58 0.17 1.56 -0.53 0.00 0.00 176.83 177.46 2bun h GLN 42 N -0.86 0.33 -0.36 2.24 4.20 -1.53 0.22 115.11 119.35 2bun h GLN 42 Ca -0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 2bun h GLN 42 Cb 0.76 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2bun h GLN 42 CO -0.10 0.22 0.02 0.00 -0.67 0.00 0.00 178.83 178.29 2bun h ALA 43 N 1.35 1.36 0.19 3.87 0.00 -1.55 0.34 119.26 124.82 2bun h ALA 43 Ca 0.25 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 2bun h ALA 43 Cb 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2bun h ALA 43 CO -0.26 0.45 -1.65 1.25 0.00 0.00 0.00 179.25 179.03 2bun h HIS 44 N 0.54 0.72 -0.49 0.00 -0.00 -0.69 -3.24 115.15 111.99 2bun h HIS 44 Ca 0.12 -0.53 -0.09 0.00 -0.00 0.00 0.00 60.37 59.87 2bun h HIS 44 Cb 0.32 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2bun h HIS 44 CO 0.01 1.64 -0.04 -0.91 -0.00 0.00 0.00 177.93 178.64 2bun h ASN 45 N 0.05 0.88 -0.82 3.26 2.35 -0.26 0.30 115.58 121.34 2bun h ASN 45 Ca -0.32 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2bun h ASN 45 Cb 2.06 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 40.15 2bun h ASN 45 CO 0.18 1.00 0.52 0.00 -1.65 0.00 0.00 177.43 177.47 2bun h ALA 46 N 0.91 1.04 -0.17 -0.83 0.00 -0.48 0.53 119.26 120.26 2bun h ALA 46 Ca 0.13 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2bun h ALA 46 Cb 0.57 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bun h ALA 46 CO 0.03 0.47 -0.36 -0.09 0.00 0.00 0.00 179.25 179.31 2bun h ARG 47 N 1.11 0.54 0.00 0.00 9.65 -1.50 -3.06 114.38 121.12 2bun h ARG 47 Ca 0.30 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2bun h ARG 47 Cb -0.09 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2bun h ARG 47 CO -0.06 0.97 0.00 0.00 2.80 0.00 0.00 179.97 183.68 2bun n ALA 48 N -2.51 2.38 -2.16 2.80 0.00 0.10 -4.87 120.51 116.25 2bun n ALA 48 Ca -0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 2bun n ALA 48 Cb 0.51 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.24 -0.61 -3.35 0.00 6.02 0.14 -4.74 117.38 113.59 2bun n GLN 49 Ca 0.14 0.30 -0.38 0.00 -0.01 0.00 0.00 57.00 57.06 2bun n GLN 49 Cb 0.20 -4.12 -0.06 0.00 1.02 0.00 0.00 30.24 27.28 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 -1.87 4.27 0.06 1.08 1.02 0.10 -4.64 118.68 118.70 2bun s LEU 50 Ca 0.01 0.77 0.07 0.00 0.02 0.00 0.00 54.13 55.00 2bun s LEU 50 Cb -0.00 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 2bun s LEU 50 CO 0.01 0.02 -0.16 0.42 0.02 0.00 0.00 176.35 176.66 2bun s THR 51 N 0.57 2.93 0.19 5.49 -4.23 0.68 -4.04 115.64 117.23 2bun s THR 51 Ca 0.24 -1.23 -0.22 0.00 -1.18 0.00 0.00 61.69 59.31 2bun s THR 51 Cb -0.15 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.49 2bun s THR 51 CO 0.09 0.27 1.02 -0.83 -0.54 0.00 0.00 174.62 174.64 2bun s GLY 52 N -1.66 0.10 0.20 3.99 0.00 -1.08 0.64 107.32 109.50 2bun s GLY 52 Ca 0.16 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.35 2bun s GLY 52 CO 0.07 2.11 1.03 0.00 0.00 0.00 0.00 173.10 176.30 2bun s ALA 53 N -2.26 -1.55 0.05 3.20 0.00 -1.21 -0.60 121.76 119.39 2bun s ALA 53 Ca 0.21 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 2bun s ALA 53 Cb -0.03 0.76 0.05 0.00 0.00 0.00 0.00 23.12 23.91 2bun s ALA 53 CO 0.05 -1.06 0.54 -0.48 0.00 0.00 0.00 175.76 174.81 2bun s LEU 54 N -3.40 -0.15 -0.22 0.00 0.05 -1.04 -2.99 118.68 110.92 2bun s LEU 54 Ca 0.22 0.20 -0.02 0.00 0.05 0.00 0.00 54.13 54.58 2bun s LEU 54 Cb -0.03 2.19 0.07 0.00 -2.05 0.00 0.00 46.19 46.37 2bun s LEU 54 CO 0.06 -0.73 0.02 -0.36 -0.55 0.00 0.00 176.35 174.79 2bun s PHE 55 N -2.47 1.49 -0.35 3.48 0.08 0.15 -3.49 117.98 116.88 2bun s PHE 55 Ca -0.05 -1.23 -0.13 0.00 0.12 0.00 0.00 56.93 55.64 2bun s PHE 55 Cb -0.01 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.16 2bun s PHE 55 CO -0.02 -0.70 0.23 -0.47 -0.10 0.00 0.00 175.22 174.17 2bun s TYR 56 N 1.70 3.22 -0.05 0.36 6.14 -1.26 -0.73 117.35 126.73 2bun s TYR 56 Ca -0.00 -0.42 -0.01 0.00 0.64 0.00 0.00 57.07 57.28 2bun s TYR 56 Cb -0.18 -2.47 0.03 0.00 0.42 0.00 0.00 41.96 39.76 2bun s TYR 56 CO -0.10 -0.45 0.01 -1.54 0.64 0.00 0.00 175.55 174.10 2bun s SER 57 N 1.68 1.13 0.00 4.32 1.04 -0.63 -4.87 113.70 116.37 2bun s SER 57 Ca 0.05 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2bun s SER 57 Cb -0.18 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2bun s SER 57 CO 0.09 -0.16 0.00 1.67 0.98 0.00 0.00 173.24 175.82 2bun n GLN 58 N 4.77 0.00 0.00 4.02 7.27 -1.26 -1.33 117.38 130.85 2bun n GLN 58 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 2bun n GLN 58 Cb 0.50 -0.35 0.00 0.00 2.41 0.00 0.00 30.24 32.80 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 0.00 0.38 3.74 1.69 0.00 -1.26 -5.10 105.19 104.64 2bun n GLY 59 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.73 -0.27 1.61 -7.23 -0.44 -0.82 120.40 117.97 2bun s VAL 60 Ca 0.00 1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 61.74 2bun s VAL 60 Cb 0.00 -4.14 -0.05 0.00 0.56 0.00 0.00 36.38 32.75 2bun s VAL 60 CO 0.00 0.35 0.23 -0.36 -0.31 0.00 0.00 175.10 175.01 2bun s PHE 61 N 0.03 3.24 -0.27 2.82 0.08 0.18 -1.60 117.98 122.46 2bun s PHE 61 Ca 0.40 0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.61 2bun s PHE 61 Cb -0.21 -2.41 0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2bun s PHE 61 CO 0.24 -0.14 0.02 0.12 -0.10 0.00 0.00 175.22 175.35 2bun s PHE 62 N 1.73 3.09 -0.03 0.36 5.36 0.09 -0.01 117.98 128.57 2bun s PHE 62 Ca 0.09 -1.11 -0.00 0.00 -0.96 0.00 0.00 56.93 54.95 2bun s PHE 62 Cb -0.16 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 2bun s PHE 62 CO 0.10 -0.60 0.02 -1.14 -1.46 0.00 0.00 175.22 172.13 2bun s GLN 63 N 1.45 0.14 0.14 10.12 -0.44 -0.65 0.34 119.66 130.76 2bun s GLN 63 Ca 0.03 0.15 -0.03 0.00 -2.50 0.00 0.00 55.36 53.00 2bun s GLN 63 Cb -0.16 -0.41 -0.03 0.00 -1.64 0.00 0.00 33.01 30.77 2bun s GLN 63 CO -0.00 -0.17 0.11 1.67 0.50 0.00 0.00 175.29 177.40 2bun s TRP 64 N 1.17 0.73 -0.06 1.67 -2.14 -1.16 -0.46 118.94 118.68 2bun s TRP 64 Ca -0.08 -1.10 -0.10 0.00 2.66 0.00 0.00 56.10 57.48 2bun s TRP 64 Cb -0.13 -0.36 0.02 0.00 -3.10 0.00 0.00 33.47 29.89 2bun s TRP 64 CO -0.02 -0.57 0.24 -0.48 -2.66 0.00 0.00 176.95 173.46 2bun s LEU 65 N -3.02 1.10 -0.21 -4.66 2.34 -0.70 -3.34 118.68 110.20 2bun s LEU 65 Ca 0.22 0.28 -0.06 0.00 0.06 0.00 0.00 54.13 54.63 2bun s LEU 65 Cb 0.06 0.91 -0.03 0.00 -0.56 0.00 0.00 46.19 46.57 2bun s LEU 65 CO 0.01 -0.21 0.04 -1.61 -1.06 0.00 0.00 176.35 173.51 2bun s GLU 66 N -0.45 3.72 0.17 1.48 2.02 0.21 -1.91 118.70 123.94 2bun s GLU 66 Ca -0.06 -0.46 -0.23 0.00 0.02 0.00 0.00 54.97 54.24 2bun s GLU 66 Cb -0.04 -3.19 0.07 0.00 0.10 0.00 0.00 34.13 31.08 2bun s GLU 66 CO 0.01 0.02 1.01 0.20 0.02 0.00 0.00 175.26 176.52 2bun s GLY 67 N 1.03 -0.03 0.12 -1.39 0.00 0.22 -0.23 107.32 107.04 2bun s GLY 67 Ca 0.03 -0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2bun s GLY 67 CO 0.02 1.34 1.36 -1.58 0.00 0.00 0.00 173.10 174.24 2bun s HIS 68 N -2.59 3.27 0.15 1.90 2.46 -1.25 0.35 115.29 119.58 2bun s HIS 68 Ca 0.18 1.02 -0.03 0.00 0.47 0.00 0.00 55.06 56.70 2bun s HIS 68 Cb -0.02 -3.64 0.27 0.00 -0.13 0.00 0.00 32.58 29.06 2bun s HIS 68 CO 0.04 -2.19 0.82 -2.30 -2.47 0.00 0.00 174.74 168.64 2bun n PRO 69 N 3.82 -0.05 0.13 2.88 -0.01 -1.25 0.17 135.00 140.69 2bun n PRO 69 Ca 0.11 0.82 -0.01 0.00 -0.01 0.00 0.00 63.50 64.40 2bun n PRO 69 Cb 0.43 -1.23 0.15 0.00 -0.01 0.00 0.00 33.50 32.84 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 1.05 0.94 -0.24 3.55 0.00 -1.93 0.16 119.26 122.79 2bun h ALA 70 Ca 0.26 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2bun h ALA 70 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bun h ALA 70 CO -0.53 0.80 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 2bun h ALA 71 N 1.36 0.33 -0.96 0.00 0.00 -0.65 0.11 119.26 119.45 2bun h ALA 71 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bun h ALA 71 Cb 1.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2bun h ALA 71 CO 0.08 0.14 0.61 0.28 0.00 0.00 0.00 179.25 180.36 2bun h VAL 72 N 0.20 1.25 -0.12 0.00 2.07 -1.13 -0.43 116.25 118.10 2bun h VAL 72 Ca 0.06 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 2bun h VAL 72 Cb 0.53 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2bun h VAL 72 CO 0.03 0.26 -0.63 0.00 0.02 0.00 0.00 177.57 177.25 2bun h ALA 73 N 1.34 0.70 -0.69 1.67 0.00 -0.40 0.74 119.26 122.62 2bun h ALA 73 Ca 0.35 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2bun h ALA 73 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2bun h ALA 73 CO -0.07 0.72 0.29 1.49 0.00 0.00 0.00 179.25 181.68 2bun h GLU 74 N 0.31 1.01 -0.14 0.00 4.81 -0.14 0.39 114.58 120.82 2bun h GLU 74 Ca -0.01 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2bun h GLU 74 Cb 1.17 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2bun h GLU 74 CO 0.11 0.83 0.03 0.28 -0.73 0.00 0.00 179.01 179.53 2bun h VAL 75 N 0.97 0.94 -0.42 0.32 2.07 -0.68 0.77 116.25 120.22 2bun h VAL 75 Ca 0.23 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.80 2bun h VAL 75 Cb 0.18 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2bun h VAL 75 CO -0.02 0.02 -0.12 0.24 0.02 0.00 0.00 177.57 177.71 2bun h MET 76 N 0.10 -0.02 -0.63 1.57 2.86 1.00 0.21 114.93 120.02 2bun h MET 76 Ca 0.06 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 2bun h MET 76 Cb 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 2bun h MET 76 CO -0.08 -0.01 0.24 1.03 1.06 0.00 0.00 176.91 179.15 2bun h SER 77 N -0.02 0.25 -0.47 1.22 0.87 0.44 0.66 113.55 116.50 2bun h SER 77 Ca 0.20 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2bun h SER 77 Cb 0.33 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2bun h SER 77 CO -0.44 0.14 0.24 0.45 -0.53 0.00 0.00 176.83 176.69 2bun h HIS 78 N 0.43 0.66 0.14 2.24 3.86 0.74 -2.72 115.15 120.49 2bun h HIS 78 Ca 0.32 -0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 59.19 2bun h HIS 78 Cb 0.40 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2bun h HIS 78 CO -0.16 0.51 -1.57 0.82 0.86 0.00 0.00 177.93 178.38 2bun h ILE 79 N 0.61 1.12 0.00 2.45 2.04 0.09 -3.25 117.51 120.56 2bun h ILE 79 Ca 0.16 -2.73 -0.02 0.00 1.00 0.00 0.00 64.86 63.27 2bun h ILE 79 Cb 0.08 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2bun h ILE 79 CO -0.02 0.83 -0.10 1.56 0.00 0.00 0.00 178.15 180.41 2bun h GLN 80 N 0.08 0.00 -1.12 2.37 1.08 0.25 -0.93 115.11 116.84 2bun h GLN 80 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2bun h GLN 80 Cb 2.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.47 2bun h GLN 80 CO 0.17 0.10 0.00 0.54 -0.95 0.00 0.00 178.83 178.69 2bun n ARG 81 N -3.45 0.93 -0.68 1.46 3.00 -1.03 -4.94 116.66 111.95 2bun n ARG 81 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.58 2bun n ARG 81 Cb 0.25 -1.03 -0.02 0.00 0.00 0.00 0.00 32.46 31.66 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 0.59 -0.37 -0.45 0.55 2.03 -0.36 -4.91 116.55 113.63 2bun n ASP 82 Ca 0.00 0.54 -0.01 0.00 0.52 0.00 0.00 54.79 55.85 2bun n ASP 82 Cb 0.47 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.57 0.00 0.00 -0.67 1.85 -1.26 -4.99 116.66 112.15 2bun n ARG 83 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2bun n ARG 83 Cb 0.09 0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.55 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 0.00 0.00 2.89 5.12 -1.26 -5.05 116.66 118.36 2bun n ARG 84 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2bun n ARG 84 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2bun n ARG 84 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2bun n HIS 85 N -2.33 0.00 -3.91 -1.55 1.44 -1.26 -3.71 115.22 103.91 2bun n HIS 85 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 2bun n HIS 85 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 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 -1.00 2.99 0.00 4.39 0.01 0.16 -3.89 113.70 116.37 2bun s SER 86 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2bun s SER 86 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 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 4.83 0.00 -3.29 2.44 3.02 -1.26 -0.43 115.26 120.58 2bun n ASN 87 Ca -0.12 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 2bun n ASN 87 Cb 0.47 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.59 -3.03 2.41 3.14 -1.26 -4.86 118.33 112.14 2bun n VAL 88 Ca 0.00 0.01 -0.45 0.00 -2.96 0.00 0.00 64.34 60.95 2bun n VAL 88 Cb 0.00 -2.33 -0.02 0.00 -1.06 0.00 0.00 33.84 30.43 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 -3.42 3.60 0.00 1.45 2.02 -0.61 -4.87 118.70 116.88 2bun s GLU 89 Ca 0.10 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.15 2bun s GLU 89 Cb -0.01 -4.80 0.00 0.00 0.10 0.00 0.00 34.13 29.42 2bun s GLU 89 CO 0.67 -1.65 0.94 -0.89 0.02 0.00 0.00 175.26 174.35 2bun n ILE 90 N 5.11 0.00 0.00 -1.63 2.08 -1.26 -0.30 119.36 123.37 2bun n ILE 90 Ca 0.22 1.44 0.00 0.00 0.56 0.00 0.00 62.75 64.97 2bun n ILE 90 Cb 0.49 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 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 -2.75 0.00 -3.83 1.39 4.77 -1.26 -3.80 117.00 111.52 2bun n LEU 91 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2bun n LEU 91 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2bun n LEU 91 CO 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 175.66 2bun s ALA 92 N -0.25 1.29 -0.20 -1.18 0.00 -1.24 -5.06 121.76 115.12 2bun s ALA 92 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2bun s ALA 92 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2bun s ALA 92 CO 0.00 -0.89 -0.02 -1.21 0.00 0.00 0.00 175.76 173.63 2bun s GLU 93 N 1.72 1.22 -0.01 0.00 2.02 -1.26 -0.29 118.70 122.10 2bun s GLU 93 Ca 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.43 2bun s GLU 93 Cb -0.16 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 2bun s GLU 93 CO -0.07 -0.56 -0.23 -1.83 0.02 0.00 0.00 175.26 172.59 2bun s GLU 94 N 1.63 1.81 -0.14 1.61 -1.05 0.04 -4.96 118.70 117.64 2bun s GLU 94 Ca -0.02 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 2bun s GLU 94 Cb -0.17 -1.78 -0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2bun s GLU 94 CO -0.07 0.48 1.06 0.45 0.95 0.00 0.00 175.26 178.13 2bun s SER 95 N -0.63 7.15 0.47 0.83 0.15 -1.26 0.47 113.70 120.88 2bun s SER 95 Ca 0.09 1.54 0.04 0.00 0.70 0.00 0.00 55.95 58.32 2bun s SER 95 Cb -0.09 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2bun s SER 95 CO -0.00 -0.56 0.04 0.27 1.20 0.00 0.00 173.24 174.19 2bun s ILE 96 N 2.50 1.59 -0.71 6.45 -4.36 0.67 -4.88 121.20 122.46 2bun s ILE 96 Ca 0.49 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 2bun s ILE 96 Cb -0.18 -2.54 0.19 0.00 1.25 0.00 0.00 42.46 41.18 2bun s ILE 96 CO 0.15 0.00 1.11 0.00 0.24 0.00 0.00 174.94 176.44 2bun n ALA 97 N -1.18 2.18 -0.92 2.27 0.00 -1.26 -2.51 120.51 119.10 2bun n ALA 97 Ca -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2bun n ALA 97 Cb 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.26 0.00 -0.46 0.00 4.81 -1.26 -4.73 118.16 116.78 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 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 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 0.00 0.00 -0.02 1.64 3.00 -1.26 -4.61 116.66 115.40 2bun n ARG 99 Ca 0.00 0.19 -0.19 0.00 -0.00 0.00 0.00 57.85 57.85 2bun n ARG 99 Cb 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 32.46 30.56 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 0.45 0.15 -5.29 -0.14 3.08 -1.99 -3.47 114.38 107.17 2bun h ARG 100 Ca 0.00 -0.26 -0.46 0.00 0.07 0.00 0.00 59.98 59.33 2bun h ARG 100 Cb 0.00 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.01 2bun h ARG 100 CO 0.00 1.13 -0.64 -0.06 -1.07 0.00 0.00 179.97 179.32 2bun s PHE 101 N -2.38 1.88 0.00 3.04 0.40 -1.26 -5.05 117.98 114.60 2bun s PHE 101 Ca -0.20 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 2bun s PHE 101 Cb 0.02 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.40 2bun s PHE 101 CO 0.73 0.09 0.23 0.00 0.70 0.00 0.00 175.22 176.98 2bun n ALA 102 N -0.60 2.16 -3.23 5.36 0.00 -1.26 -4.83 120.51 118.11 2bun n ALA 102 Ca -0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 2bun n ALA 102 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.50 -0.26 0.37 0.00 0.00 -1.26 -4.84 107.32 100.83 2bun s GLY 103 Ca 0.00 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.90 2bun s GLY 103 CO 0.00 0.18 1.04 0.86 0.00 0.00 0.00 173.10 175.19 2bun s TRP 104 N -1.87 3.38 0.07 1.90 -0.00 -1.24 -2.65 118.94 118.54 2bun s TRP 104 Ca -0.09 1.67 0.06 0.00 -0.00 0.00 0.00 56.10 57.74 2bun s TRP 104 Cb -0.02 -3.13 -0.03 0.00 -0.00 0.00 0.00 33.47 30.29 2bun s TRP 104 CO 0.02 -0.50 -0.15 -1.01 -0.00 0.00 0.00 176.95 175.31 2bun s HIS 105 N -1.56 1.32 -0.07 5.86 3.76 0.23 -4.77 115.29 120.06 2bun s HIS 105 Ca 0.54 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2bun s HIS 105 Cb -0.23 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 2bun s HIS 105 CO 0.30 0.07 0.08 1.41 -0.85 0.00 0.00 174.74 175.75 2bun s MET 106 N -1.60 3.17 0.00 1.40 1.75 -1.26 -2.51 119.30 120.25 2bun s MET 106 Ca 0.00 -0.34 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 2bun s MET 106 Cb -0.09 -2.95 0.00 0.00 2.84 0.00 0.00 34.83 34.63 2bun s MET 106 CO 0.02 0.71 0.67 0.94 -0.65 0.00 0.00 175.02 176.71 2bun n GLN 107 N 1.72 0.00 0.01 4.11 0.00 -1.23 -4.34 117.38 117.65 2bun n GLN 107 Ca -0.17 0.49 0.07 0.00 -0.00 0.00 0.00 57.00 57.39 2bun n GLN 107 Cb 0.54 -1.33 -0.12 0.00 0.00 0.00 0.00 30.24 29.32 2bun n GLN 107 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2bun n LEU 108 N -1.97 0.26 0.00 1.69 -0.00 -1.26 -4.97 117.00 110.75 2bun n LEU 108 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2bun n LEU 108 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2bun n LEU 108 CO 0.00 0.04 0.00 -1.20 -0.00 0.00 0.00 177.39 176.23 2bun n SER 109 N -2.47 0.00 0.06 1.45 7.64 -1.26 -2.25 113.62 116.78 2bun n SER 109 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2bun n SER 109 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun s SER 111 N -5.02 0.01 -0.12 0.00 1.04 -0.95 -5.07 113.70 103.59 2bun s SER 111 Ca 0.00 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.08 2bun s SER 111 Cb 0.00 0.27 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 2bun s SER 111 CO 0.00 -0.53 -0.09 -1.84 0.98 0.00 0.00 173.24 171.76 2bun n GLU 112 N -0.85 0.58 -1.46 4.02 -0.00 -1.26 -4.94 120.64 116.73 2bun n GLU 112 Ca 0.02 0.06 -0.16 0.00 -0.00 0.00 0.00 57.16 57.08 2bun n GLU 112 Cb 0.59 -1.25 -0.07 0.00 -0.00 0.00 0.00 31.44 30.71 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 -2.80 -0.24 0.00 -1.84 0.00 -1.26 -4.77 120.51 109.60 2bun n ALA 113 Ca -0.21 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2bun n ALA 113 Cb 0.75 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.77 3.77 -0.13 0.00 2.03 -1.26 -4.79 116.55 115.42 2bun n ASP 114 Ca -0.16 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.89 2bun n ASP 114 Cb 0.55 0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 41.29 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 -1.57 0.58 0.00 -0.67 2.81 -1.26 -4.96 117.12 112.05 2bun n MET 115 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2bun n MET 115 Cb 0.33 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 -4.31 0.00 0.00 0.03 3.00 -1.26 -4.81 116.66 109.31 2bun n ARG 116 Ca -0.46 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.44 2bun n ARG 116 Cb 0.80 -2.43 0.28 0.00 0.00 0.00 0.00 32.46 31.11 2bun n ARG 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2bun n SER 117 N 0.00 0.00 -0.01 0.55 7.64 -1.26 -1.42 113.62 119.12 2bun n SER 117 Ca 0.00 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.23 2bun n SER 117 Cb 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 2bun n SER 117 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2bun h LEU 118 N 0.00 -0.08 -4.82 -3.43 3.38 -1.98 -3.46 115.31 104.92 2bun h LEU 118 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2bun h LEU 118 Cb 0.18 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 2bun h LEU 118 CO 0.00 0.41 -0.00 0.61 0.09 0.00 0.00 178.44 179.54 2bun n GLY 119 N 1.55 -0.02 1.08 0.83 0.00 -1.19 -5.01 105.19 102.44 2bun n GLY 119 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.56 0.29 -3.83 0.99 4.32 -0.50 -4.88 117.00 112.82 2bun n LEU 120 Ca -0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.39 2bun n LEU 120 Cb 0.70 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.51 2bun n LEU 120 CO -0.10 -0.06 2.29 0.00 -1.22 0.00 0.00 177.39 178.30 2bun n ALA 121 N -2.80 5.37 -2.82 -1.18 0.00 -0.65 -4.87 120.51 113.56 2bun n ALA 121 Ca 0.00 -4.10 -0.36 0.00 0.00 0.00 0.00 53.44 48.98 2bun n ALA 121 Cb 0.38 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.51 2bun n ALA 121 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bun s GLU 122 N 1.84 3.52 -0.18 0.00 0.41 -1.26 -4.97 118.70 118.05 2bun s GLU 122 Ca 0.44 -0.08 -0.27 0.00 -0.41 0.00 0.00 54.97 54.64 2bun s GLU 122 Cb 0.11 -3.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.29 2bun s GLU 122 CO -0.04 0.74 0.94 0.45 -0.49 0.00 0.00 175.26 176.86 2bun s SER 123 N -1.25 7.05 0.54 -0.19 0.15 -1.26 -4.91 113.70 113.83 2bun s SER 123 Ca 0.20 1.31 0.33 0.00 0.70 0.00 0.00 55.95 58.48 2bun s SER 123 Cb -0.13 -2.50 1.28 0.00 -1.71 0.00 0.00 66.02 62.96 2bun s SER 123 CO 0.09 -0.51 1.95 0.08 1.20 0.00 0.00 173.24 176.05 2bun h ARG 124 N 7.36 0.00 0.00 5.44 -0.00 -1.97 -3.56 114.38 121.65 2bun h ARG 124 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 2bun h ARG 124 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.08 2bun h ARG 124 CO 0.89 0.01 0.00 0.94 -0.00 0.00 0.00 179.97 181.81