#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 3.89 0.00 1.96 2.56 -1.26 -5.05 118.70 120.81 2bun s GLU 6 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 54.97 55.17 2bun s GLU 6 Cb 0.00 -2.75 -0.06 0.00 2.00 0.00 0.00 34.13 33.33 2bun s GLU 6 CO 0.00 0.37 0.54 0.00 -0.56 0.00 0.00 175.26 175.61 2bun s ALA 7 N -1.68 3.55 0.22 6.30 0.00 -1.26 -5.06 121.76 123.82 2bun s ALA 7 Ca 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 2bun s ALA 7 Cb -0.13 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 2bun s ALA 7 CO 0.20 0.26 0.46 0.34 0.00 0.00 0.00 175.76 177.02 2bun s ASP 8 N -0.48 6.45 0.40 0.00 2.15 -1.26 -4.99 116.67 118.94 2bun s ASP 8 Ca 0.29 0.60 0.11 0.00 0.43 0.00 0.00 52.55 53.97 2bun s ASP 8 Cb -0.18 -2.09 0.91 0.00 -0.30 0.00 0.00 42.92 41.26 2bun s ASP 8 CO 0.16 -0.08 1.96 -0.37 -0.17 0.00 0.00 175.17 176.67 2bun h VAL 9 N 1.63 0.93 -6.67 1.11 -1.51 -2.08 -3.46 116.25 106.20 2bun h VAL 9 Ca -0.47 -0.19 -0.53 0.00 -1.23 0.00 0.00 66.70 64.28 2bun h VAL 9 Cb 1.18 0.32 0.02 0.00 -2.13 0.00 0.00 31.29 30.69 2bun h VAL 9 CO 0.69 0.10 -0.98 0.35 -1.23 0.00 0.00 177.57 176.49 2bun n THR 10 N -4.48 -3.94 -3.09 7.19 -2.24 -1.26 -4.88 114.28 101.57 2bun n THR 10 Ca 0.11 -0.69 -0.45 0.00 -2.27 0.00 0.00 64.05 60.75 2bun n THR 10 Cb 0.34 -3.10 -0.03 0.00 -2.10 0.00 0.00 70.33 65.44 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 -6.74 3.42 -0.11 -0.78 -1.94 -1.26 -4.78 119.30 107.12 2bun s MET 11 Ca 0.45 -1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 52.51 2bun s MET 11 Cb -0.22 -4.56 -0.10 0.00 2.01 0.00 0.00 34.83 31.96 2bun s MET 11 CO 0.93 -1.57 0.30 1.79 -0.01 0.00 0.00 175.02 176.46 2bun h THR 12 N 5.56 0.68 -1.40 2.05 1.35 -1.89 -3.49 112.91 115.76 2bun h THR 12 Ca -0.00 -1.50 0.23 0.00 -0.55 0.00 0.00 66.41 64.59 2bun h THR 12 Cb 1.05 1.28 -0.21 0.00 -1.73 0.00 0.00 68.15 68.54 2bun h THR 12 CO 1.00 0.23 0.81 -0.83 -0.25 0.00 0.00 175.52 176.49 2bun s GLY 13 N -3.79 -0.21 0.00 5.82 0.00 -1.01 -4.79 107.32 103.34 2bun s GLY 13 Ca -0.07 1.91 0.00 0.00 0.00 0.00 0.00 44.72 46.56 2bun s GLY 13 CO 0.26 0.71 0.00 -1.14 0.00 0.00 0.00 173.10 172.94 2bun n SER 14 N 0.13 0.27 -2.53 1.64 3.41 -1.26 -4.48 113.62 110.80 2bun n SER 14 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.25 2bun n SER 14 Cb 0.58 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bun n ASP 15 N -1.56 7.06 -4.39 4.04 5.75 -1.26 -4.84 116.55 121.35 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 0.03 -0.89 -0.11 0.00 -1.03 0.00 0.00 41.12 39.12 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 -3.87 2.48 -0.00 -2.12 2.01 -1.22 -3.79 118.68 112.18 2bun s LEU 16 Ca 0.57 -0.92 -0.14 0.00 0.01 0.00 0.00 54.13 53.65 2bun s LEU 16 Cb 0.46 -0.96 0.02 0.00 0.01 0.00 0.00 46.19 45.73 2bun s LEU 16 CO -0.17 0.01 0.29 -0.69 1.01 0.00 0.00 176.35 176.80 2bun s VAL 17 N -2.15 0.07 -0.15 -1.59 1.01 0.19 -0.09 120.40 117.68 2bun s VAL 17 Ca 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2bun s VAL 17 Cb -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2bun s VAL 17 CO 0.09 -0.30 -0.13 -0.44 0.00 0.00 0.00 175.10 174.33 2bun s SER 18 N -1.49 2.69 -0.31 3.32 0.01 0.18 -0.80 113.70 117.30 2bun s SER 18 Ca -0.12 -0.50 -0.14 0.00 1.31 0.00 0.00 55.95 56.50 2bun s SER 18 Cb -0.04 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 2bun s SER 18 CO 0.03 -0.07 0.32 0.00 0.41 0.00 0.00 173.24 173.92 2bun s TYR 21 N 1.39 2.13 0.21 0.00 -0.85 0.31 -3.41 117.35 117.14 2bun s TYR 21 Ca 0.01 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 2bun s TYR 21 Cb -0.21 -1.00 -0.05 0.00 0.38 0.00 0.00 41.96 41.08 2bun s TYR 21 CO 0.02 0.58 -0.10 -0.98 -1.52 0.00 0.00 175.55 173.55 2bun s ARG 22 N -3.57 1.32 0.21 -3.49 3.03 0.23 -1.17 118.95 115.51 2bun s ARG 22 Ca 0.28 -1.61 -0.11 0.00 2.03 0.00 0.00 55.73 56.33 2bun s ARG 22 Cb -0.02 -0.98 -0.01 0.00 -1.03 0.00 0.00 34.95 32.91 2bun s ARG 22 CO 0.13 0.10 0.39 -1.12 -1.13 0.00 0.00 175.30 173.67 2bun s SER 23 N -3.31 -0.04 -0.84 -2.89 0.01 0.75 -0.81 113.70 106.57 2bun s SER 23 Ca 0.23 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 2bun s SER 23 Cb 0.01 0.52 0.21 0.00 0.21 0.00 0.00 66.02 66.97 2bun s SER 23 CO 0.07 -1.03 0.70 -0.76 0.41 0.00 0.00 173.24 172.63 2bun s LEU 24 N -3.01 5.38 -0.33 2.44 2.01 -1.26 0.49 118.68 124.41 2bun s LEU 24 Ca 0.22 -3.69 -0.44 0.00 0.01 0.00 0.00 54.13 50.23 2bun s LEU 24 Cb 0.01 -1.85 -0.20 0.00 0.01 0.00 0.00 46.19 44.17 2bun s LEU 24 CO 0.06 -0.18 1.45 0.00 1.01 0.00 0.00 176.35 178.69 2bun n ALA 25 N 2.34 -1.92 -1.74 4.21 0.00 0.16 -3.79 120.51 119.76 2bun n ALA 25 Ca 0.20 0.52 -0.42 0.00 0.00 0.00 0.00 53.44 53.74 2bun n ALA 25 Cb 0.37 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 2.12 3.40 -1.88 0.00 0.00 -1.26 -4.82 121.76 119.32 2bun s ALA 26 Ca 1.00 1.10 0.08 0.00 0.00 0.00 0.00 51.96 54.14 2bun s ALA 26 Cb -1.39 -3.88 0.45 0.00 0.00 0.00 0.00 23.12 18.30 2bun s ALA 26 CO 0.73 -1.81 0.96 -0.35 0.00 0.00 0.00 175.76 175.29 2bun n PRO 27 N 7.73 0.22 0.12 0.00 -0.04 -1.26 -1.48 135.00 140.29 2bun n PRO 27 Ca 0.21 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2bun n PRO 27 Cb 0.42 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -4.27 3.54 3.58 -2.00 -3.47 116.42 113.80 2bun h ASP 28 Ca 0.00 -0.02 -0.52 0.00 0.42 0.00 0.00 57.03 56.91 2bun h ASP 28 Cb 0.02 0.00 0.14 0.00 1.72 0.00 0.00 39.33 41.21 2bun h ASP 28 CO 0.00 0.01 0.31 -0.76 -2.88 0.00 0.00 179.24 175.92 2bun s LEU 29 N -5.40 3.08 0.33 2.28 1.43 -0.55 -5.02 118.68 114.83 2bun s LEU 29 Ca 0.02 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.04 2bun s LEU 29 Cb 0.09 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 2bun s LEU 29 CO 0.76 -2.22 0.61 0.42 0.23 0.00 0.00 176.35 176.15 2bun s THR 30 N -2.67 4.97 0.36 5.49 -4.23 -1.26 -4.96 115.64 113.34 2bun s THR 30 Ca 0.64 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 2bun s THR 30 Cb -0.20 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.11 2bun s THR 30 CO 0.53 -0.40 1.96 0.25 -0.54 0.00 0.00 174.62 176.42 2bun h LEU 31 N 1.47 0.56 -1.63 4.79 5.85 -1.99 -0.78 115.31 123.58 2bun h LEU 31 Ca -0.48 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 2bun h LEU 31 Cb 1.19 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2bun h LEU 31 CO 0.65 0.50 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.99 2bun h ARG 32 N 0.63 0.00 -0.35 1.25 9.65 -1.97 0.69 114.38 124.28 2bun h ARG 32 Ca 0.15 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 2bun h ARG 32 Cb 0.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2bun h ARG 32 CO -0.02 0.17 -0.09 0.22 2.80 0.00 0.00 179.97 183.05 2bun h ASP 33 N 0.00 0.69 -0.07 -3.80 1.82 -1.53 0.24 116.42 113.78 2bun h ASP 33 Ca -0.00 -0.37 -0.15 0.00 -0.39 0.00 0.00 57.03 56.13 2bun h ASP 33 Cb 0.48 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2bun h ASP 33 CO 0.02 0.90 -0.45 -0.07 -1.61 0.00 0.00 179.24 178.03 2bun h LEU 34 N 0.48 0.66 -0.72 2.28 -0.00 -0.77 0.14 115.31 117.38 2bun h LEU 34 Ca 0.09 -0.31 -0.06 0.00 -0.00 0.00 0.00 57.88 57.60 2bun h LEU 34 Cb 0.60 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2bun h LEU 34 CO 0.04 1.01 -0.27 -0.07 -0.00 0.00 0.00 178.44 179.14 2bun h LEU 35 N 0.49 0.00 0.05 1.67 -0.00 -0.88 -2.20 115.31 114.45 2bun h LEU 35 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.66 2bun h LEU 35 Cb 0.98 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2bun h LEU 35 CO 0.09 0.27 -1.24 -0.78 -0.00 0.00 0.00 178.44 176.78 2bun h ASP 36 N 0.00 0.18 -0.13 -0.43 3.58 0.11 -3.27 116.42 116.46 2bun h ASP 36 Ca -0.00 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.27 2bun h ASP 36 Cb 0.94 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 2bun h ASP 36 CO 0.04 1.17 -0.12 0.40 -2.88 0.00 0.00 179.24 177.85 2bun h ILE 37 N 0.03 0.67 -0.72 2.25 2.04 -0.28 -0.33 117.51 121.18 2bun h ILE 37 Ca -0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2bun h ILE 37 Cb 1.90 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 2bun h ILE 37 CO 0.15 0.00 0.43 1.62 0.00 0.00 0.00 178.15 180.35 2bun h VAL 38 N -0.14 1.05 0.53 1.67 3.04 -1.53 0.13 116.25 121.00 2bun h VAL 38 Ca 0.09 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 2bun h VAL 38 Cb 0.26 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 2bun h VAL 38 CO -0.21 0.15 -0.35 -0.33 -1.01 0.00 0.00 177.57 175.82 2bun h GLU 39 N 0.82 -0.81 -0.45 4.17 4.39 -1.51 -3.00 114.58 118.19 2bun h GLU 39 Ca 0.30 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2bun h GLU 39 Cb 0.10 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2bun h GLU 39 CO -0.14 -0.54 0.15 1.15 -1.16 0.00 0.00 179.01 178.47 2bun h THR 40 N -0.84 1.22 -0.43 1.13 2.02 -0.81 -3.12 112.91 112.08 2bun h THR 40 Ca -0.06 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.41 2bun h THR 40 Cb 0.69 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2bun h THR 40 CO 0.05 0.26 0.27 0.28 0.37 0.00 0.00 175.52 176.75 2bun h SER 41 N 0.59 0.45 -0.33 4.18 0.02 -0.73 -0.74 113.55 116.98 2bun h SER 41 Ca 0.15 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2bun h SER 41 Cb 0.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2bun h SER 41 CO -0.01 0.32 0.15 1.56 -1.14 0.00 0.00 176.83 177.71 2bun h GLN 42 N 0.54 0.49 -0.49 3.45 4.20 -1.54 0.39 115.11 122.15 2bun h GLN 42 Ca 0.16 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2bun h GLN 42 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2bun h GLN 42 CO -0.06 0.47 0.13 0.00 -0.67 0.00 0.00 178.83 178.70 2bun h ALA 43 N 1.00 1.31 0.08 3.87 0.00 -1.43 0.28 119.26 124.36 2bun h ALA 43 Ca 0.11 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 2bun h ALA 43 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2bun h ALA 43 CO -0.01 0.49 -1.40 1.25 0.00 0.00 0.00 179.25 179.58 2bun h HIS 44 N 0.71 0.29 -0.34 0.00 -0.00 -0.90 -2.97 115.15 111.94 2bun h HIS 44 Ca 0.16 -0.21 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 2bun h HIS 44 Cb 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2bun h HIS 44 CO 0.01 1.23 0.05 -0.91 -0.00 0.00 0.00 177.93 178.31 2bun h ASN 45 N 0.04 0.55 -0.50 3.26 2.35 0.32 0.33 115.58 121.93 2bun h ASN 45 Ca -0.18 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.34 2bun h ASN 45 Cb 1.95 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 40.14 2bun h ASN 45 CO 0.15 0.68 0.27 0.00 -1.65 0.00 0.00 177.43 176.88 2bun h ALA 46 N 0.89 0.64 0.28 -0.83 0.00 -0.57 0.24 119.26 119.90 2bun h ALA 46 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2bun h ALA 46 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bun h ALA 46 CO 0.01 -0.07 -0.13 -0.09 0.00 0.00 0.00 179.25 178.97 2bun h ARG 47 N 0.52 -0.36 0.00 0.00 9.65 -1.32 -2.80 114.38 120.08 2bun h ARG 47 Ca 0.21 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2bun h ARG 47 Cb 0.10 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2bun h ARG 47 CO -0.14 -0.18 0.00 0.00 2.80 0.00 0.00 179.97 182.46 2bun n ALA 48 N -2.30 2.55 -2.34 2.80 0.00 0.11 -4.86 120.51 116.47 2bun n ALA 48 Ca -0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2bun n ALA 48 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.13 -1.25 -3.20 0.00 6.02 0.54 -4.64 117.38 113.72 2bun n GLN 49 Ca 0.19 0.40 -0.26 0.00 -0.01 0.00 0.00 57.00 57.31 2bun n GLN 49 Cb 0.16 -4.27 -0.02 0.00 1.02 0.00 0.00 30.24 27.13 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 -2.70 3.94 0.03 1.08 1.02 0.45 -4.71 118.68 117.79 2bun s LEU 50 Ca 0.05 0.65 0.03 0.00 0.02 0.00 0.00 54.13 54.88 2bun s LEU 50 Cb -0.02 -3.51 -0.02 0.00 0.02 0.00 0.00 46.19 42.66 2bun s LEU 50 CO 0.07 -0.32 -0.09 0.42 0.02 0.00 0.00 176.35 176.45 2bun s THR 51 N -2.33 0.66 0.20 5.49 -4.23 0.22 -4.59 115.64 111.05 2bun s THR 51 Ca 0.43 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.95 2bun s THR 51 Cb -0.10 -0.63 0.07 0.00 1.34 0.00 0.00 72.50 73.18 2bun s THR 51 CO 0.36 -0.11 1.01 -0.83 -0.54 0.00 0.00 174.62 174.51 2bun s GLY 52 N -0.96 0.08 -0.26 3.99 0.00 -0.04 0.39 107.32 110.51 2bun s GLY 52 Ca -0.03 -0.29 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 2bun s GLY 52 CO 0.00 1.79 0.95 0.00 0.00 0.00 0.00 173.10 175.84 2bun s ALA 53 N -2.36 -1.92 0.06 3.20 0.00 -1.17 -0.54 121.76 119.03 2bun s ALA 53 Ca 0.20 1.85 0.05 0.00 0.00 0.00 0.00 51.96 54.06 2bun s ALA 53 Cb -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2bun s ALA 53 CO 0.05 -0.27 -0.14 -0.48 0.00 0.00 0.00 175.76 174.92 2bun s LEU 54 N 0.05 2.25 -0.02 0.00 0.05 0.46 -2.68 118.68 118.79 2bun s LEU 54 Ca 0.01 -0.58 0.07 0.00 0.05 0.00 0.00 54.13 53.68 2bun s LEU 54 Cb -0.04 -0.52 -0.01 0.00 -2.05 0.00 0.00 46.19 43.56 2bun s LEU 54 CO -0.03 -0.06 -0.22 -0.36 -0.55 0.00 0.00 176.35 175.13 2bun s PHE 55 N -1.19 2.02 -0.22 3.48 0.08 0.13 -2.05 117.98 120.24 2bun s PHE 55 Ca -0.01 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 2bun s PHE 55 Cb -0.10 -1.31 0.08 0.00 -0.57 0.00 0.00 43.02 41.12 2bun s PHE 55 CO 0.02 -0.07 0.10 -0.47 -0.10 0.00 0.00 175.22 174.70 2bun s TYR 56 N -0.42 0.31 -0.25 0.36 5.04 -1.26 -0.36 117.35 120.76 2bun s TYR 56 Ca 0.06 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 2bun s TYR 56 Cb -0.09 -0.80 0.06 0.00 0.35 0.00 0.00 41.96 41.47 2bun s TYR 56 CO -0.00 -0.64 -0.11 -1.54 -1.34 0.00 0.00 175.55 171.93 2bun s SER 57 N 2.10 4.34 0.00 4.32 1.04 -0.86 -4.93 113.70 119.71 2bun s SER 57 Ca 0.05 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2bun s SER 57 Cb -0.16 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.46 2bun s SER 57 CO -0.19 -0.19 0.00 1.67 0.98 0.00 0.00 173.24 175.51 2bun n GLN 58 N 4.46 0.00 0.00 4.02 7.27 -1.26 -1.73 117.38 130.15 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 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 0.99 3.64 1.69 0.00 -1.26 -5.01 105.19 105.24 2bun n GLY 59 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 5.21 0.02 1.61 -7.23 -0.70 -0.67 120.40 118.54 2bun s VAL 60 Ca 0.00 0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 60.58 2bun s VAL 60 Cb 0.00 -3.69 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 2bun s VAL 60 CO 0.00 0.23 0.49 -0.36 -0.31 0.00 0.00 175.10 175.15 2bun s PHE 61 N 1.58 3.74 -0.07 2.82 0.08 0.18 -2.03 117.98 124.28 2bun s PHE 61 Ca 0.16 1.11 -0.03 0.00 0.12 0.00 0.00 56.93 58.30 2bun s PHE 61 Cb -0.15 -2.42 0.04 0.00 -0.57 0.00 0.00 43.02 39.92 2bun s PHE 61 CO 0.08 0.57 0.08 0.12 -0.10 0.00 0.00 175.22 175.97 2bun s PHE 62 N -0.90 0.05 -0.03 0.36 5.36 0.51 -0.18 117.98 123.16 2bun s PHE 62 Ca 0.26 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2bun s PHE 62 Cb -0.18 -0.49 0.03 0.00 -0.34 0.00 0.00 43.02 42.04 2bun s PHE 62 CO 0.16 -0.26 0.01 -1.14 -1.46 0.00 0.00 175.22 172.52 2bun s GLN 63 N 2.18 0.26 0.06 10.12 2.00 -0.31 0.22 119.66 134.19 2bun s GLN 63 Ca 0.04 0.09 0.03 0.00 -2.00 0.00 0.00 55.36 53.53 2bun s GLN 63 Cb -0.13 -0.46 -0.03 0.00 0.80 0.00 0.00 33.01 33.19 2bun s GLN 63 CO -0.04 -0.14 -0.09 1.67 -0.50 0.00 0.00 175.29 176.18 2bun s TRP 64 N 1.06 0.82 0.00 1.67 -2.14 -1.09 -0.53 118.94 118.73 2bun s TRP 64 Ca -0.09 -0.53 0.03 0.00 2.66 0.00 0.00 56.10 58.17 2bun s TRP 64 Cb -0.13 -0.48 -0.01 0.00 -3.10 0.00 0.00 33.47 29.75 2bun s TRP 64 CO -0.02 -0.05 -0.09 -0.48 -2.66 0.00 0.00 176.95 173.65 2bun s LEU 65 N -1.75 2.04 -0.23 -4.66 2.34 -0.89 -3.05 118.68 112.48 2bun s LEU 65 Ca -0.06 -0.20 -0.08 0.00 0.06 0.00 0.00 54.13 53.85 2bun s LEU 65 Cb -0.09 -0.43 -0.04 0.00 -0.56 0.00 0.00 46.19 45.08 2bun s LEU 65 CO 0.00 0.08 0.09 -1.61 -1.06 0.00 0.00 176.35 173.85 2bun s GLU 66 N -0.35 3.86 0.17 1.48 2.02 0.16 -2.67 118.70 123.37 2bun s GLU 66 Ca 0.02 -0.39 -0.23 0.00 0.02 0.00 0.00 54.97 54.40 2bun s GLU 66 Cb -0.04 -3.34 0.07 0.00 0.10 0.00 0.00 34.13 30.92 2bun s GLU 66 CO -0.00 0.02 1.02 0.20 0.02 0.00 0.00 175.26 176.52 2bun s GLY 67 N 1.09 -0.01 0.14 -1.39 0.00 0.02 -0.61 107.32 106.56 2bun s GLY 67 Ca 0.05 -0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2bun s GLY 67 CO 0.04 1.53 1.34 -1.58 0.00 0.00 0.00 173.10 174.43 2bun s HIS 68 N -2.52 3.27 0.14 1.90 2.46 -1.25 0.52 115.29 119.81 2bun s HIS 68 Ca 0.18 1.08 -0.11 0.00 0.47 0.00 0.00 55.06 56.68 2bun s HIS 68 Cb -0.02 -3.63 0.14 0.00 -0.13 0.00 0.00 32.58 28.94 2bun s HIS 68 CO 0.04 -2.10 0.95 -2.30 -2.47 0.00 0.00 174.74 168.86 2bun n PRO 69 N 3.51 -0.15 0.21 2.88 -0.01 -1.25 0.20 135.00 140.38 2bun n PRO 69 Ca 0.09 0.94 0.08 0.00 -0.01 0.00 0.00 63.50 64.60 2bun n PRO 69 Cb 0.43 -1.40 0.40 0.00 -0.01 0.00 0.00 33.50 32.93 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 0.81 1.03 -0.22 3.55 0.00 -1.93 0.82 119.26 123.32 2bun h ALA 70 Ca 0.21 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2bun h ALA 70 Cb 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bun h ALA 70 CO -0.61 0.37 -0.17 0.00 0.00 0.00 0.00 179.25 178.85 2bun h ALA 71 N 1.70 0.32 -0.88 0.00 0.00 -0.61 0.18 119.26 119.97 2bun h ALA 71 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2bun h ALA 71 Cb 0.80 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2bun h ALA 71 CO 0.04 0.23 0.47 0.28 0.00 0.00 0.00 179.25 180.27 2bun h VAL 72 N 0.20 1.26 -0.10 0.00 2.07 -0.84 0.35 116.25 119.19 2bun h VAL 72 Ca 0.04 -0.66 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 2bun h VAL 72 Cb 0.70 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2bun h VAL 72 CO 0.05 0.30 -0.67 0.00 0.02 0.00 0.00 177.57 177.26 2bun h ALA 73 N 1.26 0.67 -0.61 1.67 0.00 -0.64 0.59 119.26 122.20 2bun h ALA 73 Ca 0.31 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2bun h ALA 73 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2bun h ALA 73 CO -0.05 0.74 0.27 1.49 0.00 0.00 0.00 179.25 181.71 2bun h GLU 74 N 0.29 0.89 -0.02 0.00 4.22 -0.09 0.58 114.58 120.45 2bun h GLU 74 Ca -0.02 -0.14 0.01 0.00 0.08 0.00 0.00 59.36 59.29 2bun h GLU 74 Cb 1.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2bun h GLU 74 CO 0.11 0.73 -0.03 0.28 -2.18 0.00 0.00 179.01 177.93 2bun h VAL 75 N 0.84 0.92 -0.48 0.32 2.07 -0.67 -1.30 116.25 117.95 2bun h VAL 75 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 2bun h VAL 75 Cb 0.15 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 2bun h VAL 75 CO -0.02 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.81 2bun h MET 76 N -0.05 0.11 -0.70 1.57 2.86 0.83 0.49 114.93 120.05 2bun h MET 76 Ca 0.02 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2bun h MET 76 Cb 0.07 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2bun h MET 76 CO -0.04 0.07 0.37 0.77 1.06 0.00 0.00 176.91 179.14 2bun h SER 77 N 0.11 0.51 0.03 1.22 0.02 0.47 0.45 113.55 116.36 2bun h SER 77 Ca 0.24 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2bun h SER 77 Cb 0.36 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2bun h SER 77 CO -0.40 0.31 -0.01 0.45 -1.14 0.00 0.00 176.83 176.04 2bun h HIS 78 N 0.64 -0.03 -0.05 3.45 3.86 -0.48 -3.20 115.15 119.33 2bun h HIS 78 Ca 0.33 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 2bun h HIS 78 Cb 0.29 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2bun h HIS 78 CO -0.09 0.37 -0.00 0.82 0.86 0.00 0.00 177.93 179.88 2bun h ILE 79 N -0.44 0.96 0.00 2.45 2.04 0.65 -1.90 117.51 121.26 2bun h ILE 79 Ca -0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2bun h ILE 79 Cb 0.42 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2bun h ILE 79 CO 0.01 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.72 2bun h GLN 80 N 0.01 0.00 -0.26 2.37 1.08 -0.27 -2.11 115.11 115.93 2bun h GLN 80 Ca 0.03 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 2bun h GLN 80 Cb 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 2bun h GLN 80 CO -0.05 0.00 -0.13 0.54 -0.95 0.00 0.00 178.83 178.24 2bun n ARG 81 N -2.80 1.90 0.00 1.46 1.74 -0.76 -4.93 116.66 113.27 2bun n ARG 81 Ca -0.01 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 2bun n ARG 81 Cb 0.16 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2bun n ARG 81 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2bun n ASP 82 N -1.07 0.00 0.00 0.55 8.00 -0.80 -5.00 116.55 118.24 2bun n ASP 82 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2bun n ASP 82 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2bun n ARG 83 N 0.00 0.00 0.00 -1.24 1.85 -1.26 -5.02 116.66 110.99 2bun n ARG 83 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2bun n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.68 -3.18 2.89 1.74 -1.26 -4.33 116.66 113.20 2bun n ARG 84 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2bun n ARG 84 Cb 0.00 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2bun s HIS 85 N -1.26 -0.30 0.58 -1.55 -3.43 -1.26 -4.79 115.29 103.28 2bun s HIS 85 Ca 0.00 0.37 0.29 0.00 -0.80 0.00 0.00 55.06 54.92 2bun s HIS 85 Cb 0.00 0.12 1.45 0.00 -1.43 0.00 0.00 32.58 32.72 2bun s HIS 85 CO 0.00 -0.16 1.86 0.77 -2.00 0.00 0.00 174.74 175.22 2bun h SER 86 N 7.76 0.00 0.00 7.38 0.02 -1.75 -3.31 113.55 123.65 2bun h SER 86 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2bun h SER 86 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2bun h SER 86 CO -0.10 0.00 -0.34 0.59 -1.14 0.00 0.00 176.83 175.84 2bun n ASN 87 N -3.74 0.99 -3.84 3.07 3.02 -1.26 -4.89 115.26 108.61 2bun n ASN 87 Ca 0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.31 2bun n ASN 87 Cb 0.75 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.94 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 -2.06 -4.09 -2.78 2.41 3.14 -1.25 -4.88 118.33 108.82 2bun n VAL 88 Ca 0.00 -0.49 -0.43 0.00 -2.96 0.00 0.00 64.34 60.46 2bun n VAL 88 Cb 0.17 -3.24 -0.02 0.00 -1.06 0.00 0.00 33.84 29.68 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 -6.10 3.69 0.00 1.45 2.02 0.01 -4.85 118.70 114.91 2bun s GLU 89 Ca 0.32 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.64 2bun s GLU 89 Cb -0.15 -5.13 0.00 0.00 0.10 0.00 0.00 34.13 28.94 2bun s GLU 89 CO 0.91 -1.96 0.86 -0.89 0.02 0.00 0.00 175.26 174.20 2bun n ILE 90 N 5.93 0.00 0.00 -1.63 2.08 -1.26 -0.60 119.36 123.87 2bun n ILE 90 Ca 0.31 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.97 2bun n ILE 90 Cb 0.49 -2.05 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 -2.09 0.00 -3.81 1.39 4.77 -1.26 -3.87 117.00 112.13 2bun n LEU 91 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2bun n LEU 91 Cb 0.00 -0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 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 -0.37 0.98 -0.17 -1.18 0.00 -1.22 -5.05 121.76 114.73 2bun s ALA 92 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 2bun s ALA 92 Cb 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.29 2bun s ALA 92 CO 0.00 -0.59 0.05 -1.21 0.00 0.00 0.00 175.76 174.00 2bun s GLU 93 N 1.86 0.48 0.04 0.00 2.02 -1.26 0.11 118.70 121.95 2bun s GLU 93 Ca 0.04 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 54.81 2bun s GLU 93 Cb -0.13 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 2bun s GLU 93 CO -0.07 -0.62 -0.16 -1.83 0.02 0.00 0.00 175.26 172.60 2bun s GLU 94 N 1.95 1.07 0.01 1.61 -1.05 0.33 -4.98 118.70 117.64 2bun s GLU 94 Ca 0.00 -0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 53.68 2bun s GLU 94 Cb -0.16 -1.12 -0.03 0.00 -0.44 0.00 0.00 34.13 32.37 2bun s GLU 94 CO -0.08 0.28 1.02 -1.12 0.95 0.00 0.00 175.26 176.31 2bun s SER 95 N -1.21 7.32 0.45 0.83 0.01 -1.26 0.49 113.70 120.33 2bun s SER 95 Ca 0.03 1.72 0.03 0.00 1.31 0.00 0.00 55.95 59.04 2bun s SER 95 Cb -0.08 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2bun s SER 95 CO 0.02 -0.29 0.08 0.27 0.41 0.00 0.00 173.24 173.72 2bun s ILE 96 N 1.00 0.82 -1.43 1.44 -4.36 0.88 -4.85 121.20 114.69 2bun s ILE 96 Ca 0.53 -2.00 0.13 0.00 -0.26 0.00 0.00 60.65 59.05 2bun s ILE 96 Cb -0.22 -2.27 0.06 0.00 1.25 0.00 0.00 42.46 41.28 2bun s ILE 96 CO 0.28 0.00 0.84 0.00 0.24 0.00 0.00 174.94 176.30 2bun n ALA 97 N -1.06 2.68 -0.70 2.27 0.00 -1.26 -3.38 120.51 119.05 2bun n ALA 97 Ca -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2bun n ALA 97 Cb 0.66 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.35 0.00 -1.86 0.00 4.81 -1.26 -2.40 118.16 117.80 2bun n LYS 98 Ca 0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.48 2bun n LYS 98 Cb 0.30 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 0.00 -0.20 -0.10 1.64 5.12 -1.26 -4.83 116.66 117.03 2bun n ARG 99 Ca 0.00 0.22 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 2bun n ARG 99 Cb 0.00 -3.85 -0.06 0.00 -1.16 0.00 0.00 32.46 27.39 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2bun n ARG 100 N -1.57 0.46 -3.25 5.56 1.74 -1.26 -4.76 116.66 113.58 2bun n ARG 100 Ca -0.03 0.20 -0.29 0.00 -0.77 0.00 0.00 57.85 56.96 2bun n ARG 100 Cb 0.44 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2bun n ARG 100 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bun n PHE 101 N -4.12 3.60 0.15 -1.55 3.01 -1.26 -4.91 117.46 112.37 2bun n PHE 101 Ca -0.32 -3.92 0.04 0.00 1.01 0.00 0.00 57.45 54.25 2bun n PHE 101 Cb 0.67 -0.63 0.22 0.00 -0.01 0.00 0.00 39.48 39.73 2bun n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bun n ALA 102 N 0.61 0.42 -3.69 4.37 0.00 -1.26 -0.87 120.51 120.08 2bun n ALA 102 Ca 0.30 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.62 2bun n ALA 102 Cb 0.39 -0.52 -0.18 0.00 0.00 0.00 0.00 19.45 19.15 2bun n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bun s GLY 103 N -2.86 0.21 0.23 0.00 0.00 -1.26 -4.83 107.32 98.80 2bun s GLY 103 Ca -0.01 0.19 -0.32 0.00 0.00 0.00 0.00 44.72 44.58 2bun s GLY 103 CO 0.07 1.25 1.70 0.86 0.00 0.00 0.00 173.10 176.98 2bun s TRP 104 N 1.97 2.87 0.13 1.90 -0.00 -1.22 -4.16 118.94 120.42 2bun s TRP 104 Ca 0.03 0.44 0.05 0.00 -0.00 0.00 0.00 56.10 56.62 2bun s TRP 104 Cb -0.12 -4.13 -0.04 0.00 -0.00 0.00 0.00 33.47 29.18 2bun s TRP 104 CO -0.03 -4.17 0.06 -1.01 -0.00 0.00 0.00 176.95 171.80 2bun s HIS 105 N 0.90 3.06 0.00 5.86 3.76 0.30 -4.84 115.29 124.33 2bun s HIS 105 Ca 0.72 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 2bun s HIS 105 Cb -0.49 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 2bun s HIS 105 CO 0.36 0.51 -0.09 1.41 -0.85 0.00 0.00 174.74 176.08 2bun s MET 106 N -2.69 0.66 0.25 1.40 1.75 -1.26 -0.41 119.30 119.00 2bun s MET 106 Ca 0.28 -0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 54.32 2bun s MET 106 Cb -0.11 -0.63 0.46 0.00 2.84 0.00 0.00 34.83 37.39 2bun s MET 106 CO 0.21 0.17 1.74 0.37 -0.65 0.00 0.00 175.02 176.86 2bun h GLN 107 N 5.73 0.48 -2.79 4.11 5.75 -1.78 -2.93 115.11 123.69 2bun h GLN 107 Ca -0.31 -0.03 -0.61 0.00 -0.15 0.00 0.00 58.65 57.55 2bun h GLN 107 Cb 1.18 -0.11 -0.41 0.00 1.07 0.00 0.00 27.48 29.21 2bun h GLN 107 CO 0.48 0.32 -0.64 -0.11 -2.65 0.00 0.00 178.83 176.24 2bun n LEU 108 N -4.96 2.72 0.11 -2.39 -0.00 -1.26 -4.82 117.00 106.41 2bun n LEU 108 Ca 0.14 -5.16 0.00 0.00 -0.00 0.00 0.00 56.01 51.00 2bun n LEU 108 Cb 0.40 -0.56 -0.02 0.00 -0.00 0.00 0.00 43.42 43.25 2bun n LEU 108 CO 0.20 1.84 0.31 -1.28 -0.00 0.00 0.00 177.39 178.46 2bun h SER 109 N 5.12 0.00 -4.31 1.96 0.87 -1.93 -3.47 113.55 111.79 2bun h SER 109 Ca 0.17 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.83 2bun h SER 109 Cb 0.75 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.51 2bun h SER 109 CO 0.70 0.61 0.54 0.00 -0.53 0.00 0.00 176.83 178.14 2bun s SER 111 N -1.58 6.40 0.15 0.00 1.04 -1.26 -4.98 113.70 113.46 2bun s SER 111 Ca 0.01 0.97 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 2bun s SER 111 Cb -0.01 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.88 2bun s SER 111 CO -0.02 -0.44 1.76 -0.33 0.98 0.00 0.00 173.24 175.20 2bun h GLU 112 N 0.88 0.61 0.00 4.02 5.08 -2.02 -3.45 114.58 119.70 2bun h GLU 112 Ca -0.47 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2bun h GLU 112 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2bun h GLU 112 CO 0.63 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 179.12 2bun n ALA 113 N -2.26 0.00 0.12 3.43 0.00 -1.26 -4.47 120.51 116.08 2bun n ALA 113 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2bun n ALA 113 Cb 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.37 2bun n ALA 113 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2bun h ASP 114 N 0.00 0.67 -0.15 0.00 3.58 -2.05 -3.32 116.42 115.16 2bun h ASP 114 Ca 0.00 -0.74 -0.00 0.00 0.42 0.00 0.00 57.03 56.71 2bun h ASP 114 Cb 0.00 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2bun h ASP 114 CO 0.00 1.58 0.09 0.24 -2.88 0.00 0.00 179.24 178.27 2bun h MET 115 N 0.12 0.20 0.00 0.28 2.86 -1.99 -3.45 114.93 112.94 2bun h MET 115 Ca -0.22 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2bun h MET 115 Cb 2.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.71 2bun h MET 115 CO 0.24 0.18 0.00 0.54 1.06 0.00 0.00 176.91 178.93 2bun n ARG 116 N -4.96 0.00 0.00 1.72 1.74 -1.25 -4.60 116.66 109.31 2bun n ARG 116 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2bun n ARG 116 Cb 0.05 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 2bun n ARG 116 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bun n SER 117 N 0.86 0.00 0.24 0.55 7.64 -1.26 -0.54 113.62 121.10 2bun n SER 117 Ca 0.00 0.38 0.11 0.00 1.01 0.00 0.00 58.87 60.37 2bun n SER 117 Cb 0.00 -0.38 0.60 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.00 0.00 -3.43 3.38 -1.88 -3.38 115.31 109.99 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2bun h LEU 118 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2bun n GLY 119 N -0.39 -0.11 0.19 0.83 0.00 -0.47 -4.93 105.19 100.32 2bun n GLY 119 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2bun n GLY 119 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bun h LEU 120 N 0.00 -0.34 -3.36 0.99 6.46 -1.26 -2.91 115.31 114.89 2bun h LEU 120 Ca 0.00 -0.13 -0.35 0.00 -0.12 0.00 0.00 57.88 57.27 2bun h LEU 120 Cb 0.00 0.09 -0.19 0.00 -0.73 0.00 0.00 40.66 39.83 2bun h LEU 120 CO 0.00 -0.06 0.45 0.00 -0.62 0.00 0.00 178.44 178.22 2bun n ALA 121 N -2.40 4.75 -2.67 1.25 0.00 0.30 -4.73 120.51 117.01 2bun n ALA 121 Ca -0.10 -1.92 -0.28 0.00 0.00 0.00 0.00 53.44 51.14 2bun n ALA 121 Cb 0.24 -1.34 -0.16 0.00 0.00 0.00 0.00 19.45 18.19 2bun n ALA 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2bun s GLU 122 N -2.16 1.96 0.09 0.00 2.12 -1.10 -4.47 118.70 115.14 2bun s GLU 122 Ca 0.37 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 2bun s GLU 122 Cb 0.31 -1.75 -0.06 0.00 0.26 0.00 0.00 34.13 32.88 2bun s GLU 122 CO 0.05 0.36 1.10 0.45 -0.54 0.00 0.00 175.26 176.67 2bun s SER 123 N -0.22 7.24 0.00 -1.70 0.15 -1.26 -4.86 113.70 113.05 2bun s SER 123 Ca 0.01 1.93 0.19 0.00 0.70 0.00 0.00 55.95 58.78 2bun s SER 123 Cb -0.11 -2.58 0.89 0.00 -1.71 0.00 0.00 66.02 62.51 2bun s SER 123 CO 0.01 -0.31 1.60 -2.11 1.20 0.00 0.00 173.24 173.64 2bun n ARG 124 N 3.36 0.15 0.00 5.44 0.00 -1.26 -5.13 116.66 119.21 2bun n ARG 124 Ca 0.06 0.14 0.08 0.00 -0.00 0.00 0.00 57.85 58.12 2bun n ARG 124 Cb 0.48 -1.50 0.06 0.00 -0.00 0.00 0.00 32.46 31.50 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57