#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bun s GLU 6 N 0.00 2.71 0.50 1.96 2.56 -1.26 -5.10 118.70 120.07 2bun s GLU 6 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 54.97 53.97 2bun s GLU 6 Cb 0.00 -2.62 -0.07 0.00 2.00 0.00 0.00 34.13 33.44 2bun s GLU 6 CO 0.00 0.54 1.12 0.00 -0.56 0.00 0.00 175.26 176.36 2bun s ALA 7 N -1.40 2.83 0.22 6.30 0.00 -1.26 -4.99 121.76 123.46 2bun s ALA 7 Ca 0.28 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2bun s ALA 7 Cb -0.12 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 2bun s ALA 7 CO 0.20 -0.63 1.01 0.34 0.00 0.00 0.00 175.76 176.68 2bun s ASP 8 N -1.67 7.47 0.00 0.00 2.15 -1.26 -4.93 116.67 118.43 2bun s ASP 8 Ca 0.68 2.03 0.11 0.00 0.43 0.00 0.00 52.55 55.79 2bun s ASP 8 Cb -0.24 -2.61 0.63 0.00 -0.30 0.00 0.00 42.92 40.40 2bun s ASP 8 CO 0.28 -0.01 1.20 1.33 -0.17 0.00 0.00 175.17 177.80 2bun n VAL 9 N 1.78 0.00 -4.13 1.11 0.24 -1.26 -5.00 118.33 111.07 2bun n VAL 9 Ca -0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 2bun n VAL 9 Cb 0.47 -0.35 -0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2bun n VAL 9 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bun n THR 10 N -0.72 0.00 1.19 3.34 -2.24 -1.26 -4.13 114.28 110.46 2bun n THR 10 Ca 0.08 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 2bun n THR 10 Cb 0.04 -0.02 0.07 0.00 -2.10 0.00 0.00 70.33 68.32 2bun n THR 10 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2bun n MET 11 N -1.08 1.50 -1.60 -0.78 2.81 -1.26 -4.95 117.12 111.77 2bun n MET 11 Ca 0.00 -0.56 -0.50 0.00 -1.81 0.00 0.00 57.70 54.83 2bun n MET 11 Cb 0.03 -1.32 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 2bun n MET 11 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2bun n THR 12 N 0.00 0.37 -4.05 2.03 -2.24 -1.26 -4.79 114.28 104.34 2bun n THR 12 Ca 0.05 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 2bun n THR 12 Cb 0.24 -0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 67.39 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 0.34 0.18 -0.10 3.38 0.00 -1.26 -5.01 107.32 104.85 2bun s GLY 13 Ca 0.79 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.27 2bun s GLY 13 CO 0.48 -0.16 -0.12 1.76 0.00 0.00 0.00 173.10 175.05 2bun h SER 14 N 5.97 0.00 -1.87 1.64 0.02 -1.86 -3.40 113.55 114.04 2bun h SER 14 Ca -0.27 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.02 2bun h SER 14 Cb 1.20 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.37 2bun h SER 14 CO 0.50 0.54 -0.07 -0.90 -1.14 0.00 0.00 176.83 175.76 2bun n ASP 15 N -3.97 5.66 -4.42 3.07 5.75 -1.26 -4.87 116.55 116.51 2bun n ASP 15 Ca -0.05 -3.74 -0.28 0.00 -0.01 0.00 0.00 54.79 50.71 2bun n ASP 15 Cb 0.19 -0.71 -0.12 0.00 -1.03 0.00 0.00 41.12 39.44 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 -3.75 2.42 0.01 -2.12 2.01 -1.24 -3.81 118.68 112.20 2bun s LEU 16 Ca 0.48 -0.78 -0.12 0.00 0.01 0.00 0.00 54.13 53.72 2bun s LEU 16 Cb 0.36 -1.24 0.01 0.00 0.01 0.00 0.00 46.19 45.34 2bun s LEU 16 CO -0.23 0.15 0.24 -0.69 1.01 0.00 0.00 176.35 176.83 2bun s VAL 17 N -1.35 0.08 -0.18 -1.59 1.01 0.15 -0.10 120.40 118.42 2bun s VAL 17 Ca 0.18 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2bun s VAL 17 Cb -0.09 -0.67 0.05 0.00 0.00 0.00 0.00 36.38 35.67 2bun s VAL 17 CO 0.08 -0.35 -0.04 -0.44 0.00 0.00 0.00 175.10 174.36 2bun s SER 18 N -1.58 3.03 -0.22 3.32 0.01 0.18 -0.57 113.70 117.86 2bun s SER 18 Ca -0.11 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.20 2bun s SER 18 Cb -0.04 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.24 2bun s SER 18 CO 0.01 -0.21 0.45 0.00 0.41 0.00 0.00 173.24 173.90 2bun s TYR 21 N 1.18 2.36 0.26 0.00 -0.85 0.43 -3.59 117.35 117.13 2bun s TYR 21 Ca -0.01 -0.75 0.09 0.00 -0.52 0.00 0.00 57.07 55.87 2bun s TYR 21 Cb -0.20 -1.65 -0.05 0.00 0.38 0.00 0.00 41.96 40.44 2bun s TYR 21 CO -0.03 0.33 -0.13 -0.98 -1.52 0.00 0.00 175.55 173.22 2bun s ARG 22 N -3.76 1.53 0.07 -3.49 1.70 0.13 -0.51 118.95 114.62 2bun s ARG 22 Ca 0.35 -1.73 -0.17 0.00 -0.47 0.00 0.00 55.73 53.71 2bun s ARG 22 Cb 0.09 -1.37 0.03 0.00 -0.57 0.00 0.00 34.95 33.14 2bun s ARG 22 CO 0.17 0.18 0.40 -1.12 -1.08 0.00 0.00 175.30 173.85 2bun s SER 23 N -3.43 -0.26 -0.75 -2.89 0.01 0.44 -0.71 113.70 106.11 2bun s SER 23 Ca 0.27 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2bun s SER 23 Cb -0.00 0.43 0.36 0.00 0.21 0.00 0.00 66.02 67.02 2bun s SER 23 CO 0.11 -0.71 1.59 0.18 0.41 0.00 0.00 173.24 174.82 2bun n LEU 24 N 0.30 6.33 0.00 2.44 7.99 -1.26 0.35 117.00 133.14 2bun n LEU 24 Ca -0.18 -5.20 0.00 0.00 -0.01 0.00 0.00 56.01 50.63 2bun n LEU 24 Cb 0.61 -0.86 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 2bun n LEU 24 CO 0.19 2.04 0.00 0.00 -1.51 0.00 0.00 177.39 178.12 2bun n ALA 25 N -0.37 0.00 -1.75 -1.18 0.00 -1.06 -4.45 120.51 111.70 2bun n ALA 25 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2bun n ALA 25 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 3.70 -1.88 0.00 0.00 -1.26 -4.73 121.76 117.59 2bun s ALA 26 Ca 0.00 1.36 0.07 0.00 0.00 0.00 0.00 51.96 53.39 2bun s ALA 26 Cb 0.00 -3.77 0.42 0.00 0.00 0.00 0.00 23.12 19.77 2bun s ALA 26 CO 0.00 -1.30 0.94 -0.35 0.00 0.00 0.00 175.76 175.05 2bun n PRO 27 N 6.19 0.20 0.12 0.00 -0.04 -1.26 -2.01 135.00 138.21 2bun n PRO 27 Ca 0.18 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2bun n PRO 27 Cb 0.39 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.10 3.54 3.58 -1.97 -3.46 116.42 114.01 2bun h ASP 28 Ca 0.00 -0.04 -0.47 0.00 0.42 0.00 0.00 57.03 56.93 2bun h ASP 28 Cb 0.01 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.14 2bun h ASP 28 CO 0.00 0.02 0.30 -0.76 -2.88 0.00 0.00 179.24 175.92 2bun s LEU 29 N -4.94 2.88 0.53 2.28 1.43 -0.85 -5.09 118.68 114.92 2bun s LEU 29 Ca 0.08 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 2bun s LEU 29 Cb 0.11 -3.47 0.05 0.00 0.03 0.00 0.00 46.19 42.90 2bun s LEU 29 CO 0.66 -1.46 0.54 0.42 0.23 0.00 0.00 176.35 176.73 2bun s THR 30 N -3.28 2.00 0.15 5.49 -4.23 -1.26 -5.00 115.64 109.51 2bun s THR 30 Ca 0.58 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.71 2bun s THR 30 Cb -0.11 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 2bun s THR 30 CO 0.48 0.00 1.48 0.25 -0.54 0.00 0.00 174.62 176.28 2bun h LEU 31 N 0.59 0.91 -1.26 4.79 5.85 -2.00 -2.91 115.31 121.28 2bun h LEU 31 Ca -0.35 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 2bun h LEU 31 Cb 1.29 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2bun h LEU 31 CO 0.51 1.21 -0.07 -0.09 -0.34 0.00 0.00 178.44 179.66 2bun h ARG 32 N 0.67 0.00 -0.46 1.25 9.65 -1.96 0.21 114.38 123.74 2bun h ARG 32 Ca 0.04 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2bun h ARG 32 Cb 1.03 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 2bun h ARG 32 CO 0.10 0.07 0.25 0.22 2.80 0.00 0.00 179.97 183.42 2bun h ASP 33 N 0.00 0.57 0.02 -3.80 1.82 -1.90 0.33 116.42 113.45 2bun h ASP 33 Ca -0.00 -0.08 -0.23 0.00 -0.39 0.00 0.00 57.03 56.32 2bun h ASP 33 Cb 0.62 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.49 2bun h ASP 33 CO 0.01 0.49 -0.89 -0.07 -1.61 0.00 0.00 179.24 177.17 2bun h LEU 34 N 0.60 0.82 -1.20 2.28 -0.00 -0.93 -0.23 115.31 116.66 2bun h LEU 34 Ca 0.16 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2bun h LEU 34 Cb 0.04 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.46 2bun h LEU 34 CO -0.03 1.39 0.00 -0.07 -0.00 0.00 0.00 178.44 179.73 2bun h LEU 35 N 0.42 0.00 0.13 1.67 -0.00 -0.93 -0.99 115.31 115.61 2bun h LEU 35 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.58 2bun h LEU 35 Cb 1.52 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.19 2bun h LEU 35 CO 0.17 0.00 -1.05 -0.78 -0.00 0.00 0.00 178.44 176.78 2bun h ASP 36 N 0.00 0.44 -0.32 -0.43 3.58 -0.10 -3.30 116.42 116.29 2bun h ASP 36 Ca 0.00 -0.91 0.07 0.00 0.42 0.00 0.00 57.03 56.61 2bun h ASP 36 Cb 0.53 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 2bun h ASP 36 CO 0.00 1.48 -0.16 0.40 -2.88 0.00 0.00 179.24 178.08 2bun h ILE 37 N -0.35 0.51 -0.67 2.25 2.04 -0.39 -0.98 117.51 119.93 2bun h ILE 37 Ca -0.21 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2bun h ILE 37 Cb 1.69 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 2bun h ILE 37 CO 0.11 0.00 0.33 1.62 0.00 0.00 0.00 178.15 180.22 2bun h VAL 38 N -0.12 0.88 0.51 1.67 3.04 -1.36 0.52 116.25 121.40 2bun h VAL 38 Ca 0.17 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.63 2bun h VAL 38 Cb 0.37 0.24 0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2bun h VAL 38 CO -0.40 0.11 -0.25 -0.33 -1.01 0.00 0.00 177.57 175.70 2bun h GLU 39 N 0.59 -0.66 -0.32 4.17 5.08 -1.40 -2.20 114.58 119.83 2bun h GLU 39 Ca 0.32 0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2bun h GLU 39 Cb 0.30 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2bun h GLU 39 CO -0.24 -0.40 -0.23 0.00 -1.00 0.00 0.00 179.01 177.14 2bun h THR 40 N -0.78 1.27 -0.07 1.13 1.03 -1.05 -2.74 112.91 111.70 2bun h THR 40 Ca -0.07 -1.28 -0.01 0.00 -0.01 0.00 0.00 66.41 65.04 2bun h THR 40 Cb 0.57 1.27 -0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2bun h THR 40 CO 0.12 0.42 0.02 -1.28 -0.01 0.00 0.00 175.52 174.78 2bun h SER 41 N 0.54 0.10 -0.34 0.00 0.87 -0.82 -1.54 113.55 112.37 2bun h SER 41 Ca 0.08 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2bun h SER 41 Cb 0.68 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2bun h SER 41 CO 0.05 0.31 0.21 1.56 -0.53 0.00 0.00 176.83 178.44 2bun h GLN 42 N -0.11 0.43 -0.54 2.24 4.20 -1.36 0.13 115.11 120.08 2bun h GLN 42 Ca 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2bun h GLN 42 Cb 0.25 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2bun h GLN 42 CO 0.00 0.28 0.16 0.00 -0.67 0.00 0.00 178.83 178.60 2bun h ALA 43 N 1.13 0.71 -0.08 3.87 0.00 -1.40 0.27 119.26 123.76 2bun h ALA 43 Ca 0.13 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2bun h ALA 43 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2bun h ALA 43 CO -0.04 0.38 -0.84 1.25 0.00 0.00 0.00 179.25 180.01 2bun h HIS 44 N 0.75 0.82 -0.40 0.00 -0.00 -1.13 -2.86 115.15 112.33 2bun h HIS 44 Ca 0.17 -0.39 -0.03 0.00 -0.00 0.00 0.00 60.37 60.12 2bun h HIS 44 Cb 0.30 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 2bun h HIS 44 CO 0.02 1.20 0.13 -0.91 -0.00 0.00 0.00 177.93 178.36 2bun h ASN 45 N 0.38 0.58 -0.97 3.26 4.21 -0.35 0.46 115.58 123.16 2bun h ASN 45 Ca -0.06 -0.20 0.02 0.00 1.21 0.00 0.00 56.30 57.26 2bun h ASN 45 Cb 1.45 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 38.45 2bun h ASN 45 CO 0.16 0.63 0.64 0.00 -1.29 0.00 0.00 177.43 177.57 2bun h ALA 46 N 0.97 1.24 -0.09 -0.83 0.00 -0.53 0.33 119.26 120.36 2bun h ALA 46 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2bun h ALA 46 Cb 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2bun h ALA 46 CO -0.00 0.58 -0.10 -0.09 0.00 0.00 0.00 179.25 179.64 2bun h ARG 47 N 1.28 0.22 0.00 0.00 2.43 -1.23 -3.06 114.38 114.02 2bun h ARG 47 Ca 0.36 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2bun h ARG 47 Cb -0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2bun h ARG 47 CO -0.09 0.66 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 2bun n ALA 48 N -2.40 2.18 -1.46 2.80 0.00 0.16 -4.85 120.51 116.94 2bun n ALA 48 Ca -0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 2bun n ALA 48 Cb 0.33 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.33 -0.60 -3.15 0.00 6.02 0.86 -4.75 117.38 114.44 2bun n GLN 49 Ca 0.10 0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 2bun n GLN 49 Cb 0.21 -4.58 -0.05 0.00 1.02 0.00 0.00 30.24 26.83 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 -2.01 4.41 0.28 1.08 1.02 0.48 -4.80 118.68 119.14 2bun s LEU 50 Ca 0.00 1.21 0.10 0.00 0.02 0.00 0.00 54.13 55.46 2bun s LEU 50 Cb 0.00 -2.99 -0.05 0.00 0.02 0.00 0.00 46.19 43.17 2bun s LEU 50 CO 0.00 0.06 -0.05 0.42 0.02 0.00 0.00 176.35 176.80 2bun s THR 51 N -0.03 3.06 0.18 5.49 -4.23 0.94 -4.22 115.64 116.84 2bun s THR 51 Ca 0.33 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.57 2bun s THR 51 Cb -0.18 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.04 2bun s THR 51 CO 0.18 -0.35 1.04 -0.83 -0.54 0.00 0.00 174.62 174.12 2bun s GLY 52 N -3.64 0.08 -0.10 3.99 0.00 -0.18 0.78 107.32 108.26 2bun s GLY 52 Ca 0.32 -0.29 -0.32 0.00 0.00 0.00 0.00 44.72 44.42 2bun s GLY 52 CO 0.19 2.28 1.18 0.00 0.00 0.00 0.00 173.10 176.74 2bun s ALA 53 N -2.24 -2.07 0.06 3.20 0.00 -1.10 -0.76 121.76 118.85 2bun s ALA 53 Ca 0.21 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 2bun s ALA 53 Cb -0.02 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.26 2bun s ALA 53 CO 0.05 -0.76 0.47 -0.48 0.00 0.00 0.00 175.76 175.04 2bun s LEU 54 N -2.48 0.12 -0.24 0.00 0.05 -0.41 -2.39 118.68 113.33 2bun s LEU 54 Ca 0.10 0.05 0.02 0.00 0.05 0.00 0.00 54.13 54.36 2bun s LEU 54 Cb 0.01 1.98 0.05 0.00 -2.05 0.00 0.00 46.19 46.18 2bun s LEU 54 CO -0.04 -0.73 -0.12 -0.36 -0.55 0.00 0.00 176.35 174.55 2bun s PHE 55 N -2.66 2.99 -0.14 3.48 0.08 0.16 -3.69 117.98 118.20 2bun s PHE 55 Ca -0.04 -2.06 0.00 0.00 0.12 0.00 0.00 56.93 54.95 2bun s PHE 55 Cb -0.00 -1.85 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2bun s PHE 55 CO -0.04 -0.84 -0.13 -0.47 -0.10 0.00 0.00 175.22 173.64 2bun s TYR 56 N 1.20 2.04 -0.16 0.36 6.14 -1.26 -0.33 117.35 125.33 2bun s TYR 56 Ca -0.05 -1.12 -0.25 0.00 0.64 0.00 0.00 57.07 56.29 2bun s TYR 56 Cb -0.18 -1.52 0.06 0.00 0.42 0.00 0.00 41.96 40.74 2bun s TYR 56 CO -0.07 -0.63 0.64 -1.12 0.64 0.00 0.00 175.55 175.01 2bun s SER 57 N 1.49 -0.64 0.00 4.32 0.01 -1.02 -4.80 113.70 113.06 2bun s SER 57 Ca 0.04 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.33 2bun s SER 57 Cb -0.13 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.10 2bun s SER 57 CO -0.10 -0.37 0.00 0.00 0.41 0.00 0.00 173.24 173.18 2bun n GLN 58 N 2.02 0.00 0.00 12.44 1.13 -1.26 -1.20 117.38 130.51 2bun n GLN 58 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2bun n GLN 58 Cb 0.56 -3.55 0.00 0.00 0.11 0.00 0.00 30.24 27.36 2bun n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bun n GLY 59 N -2.00 0.89 3.83 1.08 0.00 -1.26 -5.09 105.19 102.63 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 -2.00 5.10 -0.18 1.61 -7.23 -0.34 -2.55 120.40 114.80 2bun s VAL 60 Ca 0.00 0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 60.86 2bun s VAL 60 Cb 0.00 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2bun s VAL 60 CO 0.00 0.56 0.08 -0.36 -0.31 0.00 0.00 175.10 175.07 2bun s PHE 61 N -0.89 3.29 -0.16 2.82 0.08 0.15 -2.43 117.98 120.85 2bun s PHE 61 Ca 0.23 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2bun s PHE 61 Cb -0.16 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2bun s PHE 61 CO 0.12 0.20 -0.09 0.12 -0.10 0.00 0.00 175.22 175.47 2bun s PHE 62 N 0.31 1.92 -0.03 0.36 2.19 0.55 -0.42 117.98 122.85 2bun s PHE 62 Ca 0.04 -1.15 0.00 0.00 0.33 0.00 0.00 56.93 56.16 2bun s PHE 62 Cb -0.12 -1.43 0.03 0.00 -1.31 0.00 0.00 43.02 40.18 2bun s PHE 62 CO -0.00 -0.63 0.00 -1.14 1.83 0.00 0.00 175.22 175.28 2bun s GLN 63 N 1.56 0.25 0.05 10.12 -0.44 0.34 0.36 119.66 131.91 2bun s GLN 63 Ca 0.02 0.08 -0.01 0.00 -2.50 0.00 0.00 55.36 52.95 2bun s GLN 63 Cb -0.14 -0.44 -0.04 0.00 -1.64 0.00 0.00 33.01 30.75 2bun s GLN 63 CO -0.09 -0.13 -0.03 1.67 0.50 0.00 0.00 175.29 177.22 2bun s TRP 64 N 0.98 0.48 0.02 1.67 -2.14 -1.00 -0.43 118.94 118.51 2bun s TRP 64 Ca -0.10 -0.98 -0.01 0.00 2.66 0.00 0.00 56.10 57.67 2bun s TRP 64 Cb -0.13 -0.36 -0.02 0.00 -3.10 0.00 0.00 33.47 29.86 2bun s TRP 64 CO -0.02 -0.36 0.00 -0.48 -2.66 0.00 0.00 176.95 173.44 2bun s LEU 65 N -2.71 2.16 -0.18 -4.66 2.34 -1.01 -2.72 118.68 111.89 2bun s LEU 65 Ca 0.04 -0.53 -0.02 0.00 0.06 0.00 0.00 54.13 53.67 2bun s LEU 65 Cb 0.05 0.22 -0.01 0.00 -0.56 0.00 0.00 46.19 45.89 2bun s LEU 65 CO -0.09 -0.36 -0.08 -1.61 -1.06 0.00 0.00 176.35 173.15 2bun s GLU 66 N -1.87 3.41 0.17 1.48 2.02 0.23 -2.88 118.70 121.26 2bun s GLU 66 Ca -0.12 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.00 2bun s GLU 66 Cb -0.07 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.38 2bun s GLU 66 CO -0.02 -0.01 1.03 0.20 0.02 0.00 0.00 175.26 176.48 2bun s GLY 67 N 0.96 -0.02 0.12 -1.39 0.00 0.26 -0.04 107.32 107.22 2bun s GLY 67 Ca -0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.26 2bun s GLY 67 CO -0.00 1.54 1.39 -1.58 0.00 0.00 0.00 173.10 174.44 2bun s HIS 68 N -2.53 3.24 0.25 1.90 2.46 -1.25 0.33 115.29 119.70 2bun s HIS 68 Ca 0.18 0.96 0.05 0.00 0.47 0.00 0.00 55.06 56.73 2bun s HIS 68 Cb -0.02 -3.68 0.70 0.00 -0.13 0.00 0.00 32.58 29.45 2bun s HIS 68 CO 0.04 -2.37 1.20 -2.30 -2.47 0.00 0.00 174.74 168.84 2bun n PRO 69 N 3.88 -0.06 0.15 2.88 -0.01 -1.25 0.06 135.00 140.65 2bun n PRO 69 Ca 0.11 1.12 0.02 0.00 -0.01 0.00 0.00 63.50 64.74 2bun n PRO 69 Cb 0.42 -1.84 0.20 0.00 -0.01 0.00 0.00 33.50 32.27 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 1.53 0.86 -0.20 3.55 0.00 -1.93 0.17 119.26 123.24 2bun h ALA 70 Ca 0.51 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2bun h ALA 70 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2bun h ALA 70 CO -0.68 0.65 -0.63 0.00 0.00 0.00 0.00 179.25 178.59 2bun h ALA 71 N 1.48 0.52 -0.55 0.00 0.00 -0.75 0.20 119.26 120.16 2bun h ALA 71 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2bun h ALA 71 Cb 1.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2bun h ALA 71 CO 0.07 0.70 0.04 0.28 0.00 0.00 0.00 179.25 180.34 2bun h VAL 72 N 0.51 1.26 -0.03 0.00 2.07 -1.08 -2.19 116.25 116.80 2bun h VAL 72 Ca -0.01 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.32 2bun h VAL 72 Cb 1.22 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2bun h VAL 72 CO 0.13 0.38 -0.62 0.00 0.02 0.00 0.00 177.57 177.47 2bun h ALA 73 N 0.98 0.90 -0.48 1.67 0.00 -0.43 0.46 119.26 122.35 2bun h ALA 73 Ca 0.16 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2bun h ALA 73 Cb 0.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2bun h ALA 73 CO 0.02 0.76 0.23 1.49 0.00 0.00 0.00 179.25 181.75 2bun h GLU 74 N 0.09 0.44 -0.10 0.00 4.81 -0.29 0.41 114.58 119.94 2bun h GLU 74 Ca -0.01 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 58.96 2bun h GLU 74 Cb 1.12 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2bun h GLU 74 CO 0.09 0.29 -0.86 -0.24 -0.73 0.00 0.00 179.01 177.56 2bun h VAL 75 N 0.45 1.29 -0.27 0.32 3.04 -1.02 -2.73 116.25 117.34 2bun h VAL 75 Ca 0.22 -2.09 0.06 0.00 -1.01 0.00 0.00 66.70 63.88 2bun h VAL 75 Cb 0.15 2.12 -0.06 0.00 -2.01 0.00 0.00 31.29 31.49 2bun h VAL 75 CO -0.17 0.65 -0.15 0.24 -1.01 0.00 0.00 177.57 177.14 2bun h MET 76 N 0.46 -0.11 -0.75 4.17 2.86 0.52 0.64 114.93 122.72 2bun h MET 76 Ca -0.07 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2bun h MET 76 Cb 1.49 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 33.14 2bun h MET 76 CO 0.17 -0.08 0.36 0.77 1.06 0.00 0.00 176.91 179.20 2bun h SER 77 N -0.12 0.96 -0.11 1.22 0.02 -0.24 0.66 113.55 115.95 2bun h SER 77 Ca 0.14 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2bun h SER 77 Cb 0.33 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2bun h SER 77 CO -0.34 0.81 -0.11 -0.74 -1.14 0.00 0.00 176.83 175.31 2bun h HIS 78 N 1.06 0.32 -0.25 3.45 6.17 -1.08 -3.24 115.15 121.57 2bun h HIS 78 Ca 0.26 -0.10 -0.05 0.00 0.71 0.00 0.00 60.37 61.19 2bun h HIS 78 Cb 0.10 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 2bun h HIS 78 CO 0.01 0.69 -0.03 0.82 0.71 0.00 0.00 177.93 180.13 2bun h ILE 79 N -0.14 1.27 0.00 6.26 2.04 0.86 -2.71 117.51 125.09 2bun h ILE 79 Ca 0.02 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2bun h ILE 79 Cb 0.64 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2bun h ILE 79 CO 0.03 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.49 2bun n GLN 80 N -4.59 0.06 -0.64 2.37 1.13 0.22 -0.84 117.38 115.10 2bun n GLN 80 Ca -0.04 0.38 0.01 0.00 -1.94 0.00 0.00 57.00 55.41 2bun n GLN 80 Cb 0.27 -1.63 0.21 0.00 0.11 0.00 0.00 30.24 29.21 2bun n GLN 80 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bun n ARG 81 N -1.74 2.14 -0.01 -1.09 1.74 -1.04 -5.05 116.66 111.61 2bun n ARG 81 Ca 0.02 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 2bun n ARG 81 Cb 0.13 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 2bun n ARG 81 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2bun n ASP 82 N -0.95 0.00 0.00 0.55 -0.08 -0.02 -5.02 116.55 111.03 2bun n ASP 82 Ca 0.28 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2bun n ASP 82 Cb 0.96 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.42 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 -0.04 0.00 0.00 -0.67 1.85 -1.26 -4.95 116.66 111.59 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 -0.69 0.82 -3.64 2.89 5.12 -1.26 -4.47 116.66 115.42 2bun n ARG 84 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2bun n ARG 84 Cb 0.00 -1.24 -0.07 0.00 -1.16 0.00 0.00 32.46 30.00 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2bun s HIS 85 N -1.42 -0.58 0.23 -1.55 -3.43 -1.26 -4.78 115.29 102.51 2bun s HIS 85 Ca 0.00 1.17 -0.06 0.00 -0.80 0.00 0.00 55.06 55.36 2bun s HIS 85 Cb 0.00 0.35 0.41 0.00 -1.43 0.00 0.00 32.58 31.91 2bun s HIS 85 CO 0.00 -0.29 1.69 1.03 -2.00 0.00 0.00 174.74 175.17 2bun h SER 86 N 5.98 0.01 0.00 7.38 0.87 -1.78 -3.37 113.55 122.64 2bun h SER 86 Ca -0.28 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2bun h SER 86 Cb 1.19 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2bun h SER 86 CO 0.19 -0.02 -0.28 0.59 -0.53 0.00 0.00 176.83 176.78 2bun n ASN 87 N -5.15 1.22 -3.35 6.23 3.02 -1.26 -4.91 115.26 111.06 2bun n ASN 87 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 2bun n ASN 87 Cb 0.42 0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.39 -3.82 -3.47 2.41 3.14 -1.25 -4.95 118.33 109.01 2bun n VAL 88 Ca 0.00 0.31 -0.43 0.00 -2.96 0.00 0.00 64.34 61.26 2bun n VAL 88 Cb 0.14 -3.62 -0.06 0.00 -1.06 0.00 0.00 33.84 29.23 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 -1.95 2.91 0.03 1.45 2.02 0.11 -4.84 118.70 118.44 2bun s GLU 89 Ca 0.24 -2.08 -0.08 0.00 0.02 0.00 0.00 54.97 53.07 2bun s GLU 89 Cb -0.03 -4.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 2bun s GLU 89 CO 0.58 -1.25 1.13 0.82 0.02 0.00 0.00 175.26 176.57 2bun h ILE 90 N 5.56 0.00 0.00 -1.63 1.08 -1.86 0.39 117.51 121.05 2bun h ILE 90 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2bun h ILE 90 Cb 1.05 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2bun h ILE 90 CO 0.84 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 178.48 2bun n LEU 91 N -3.36 0.00 -3.84 1.44 4.77 -1.26 -3.69 117.00 111.06 2bun n LEU 91 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 2bun n LEU 91 Cb 0.08 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 2bun n LEU 91 CO 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 175.67 2bun s ALA 92 N -0.16 0.68 -0.17 -1.18 0.00 -1.24 -5.06 121.76 114.63 2bun s ALA 92 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 2bun s ALA 92 Cb 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2bun s ALA 92 CO 0.00 -0.22 0.03 -1.21 0.00 0.00 0.00 175.76 174.36 2bun s GLU 93 N 1.39 0.64 0.03 0.00 2.02 -1.26 -0.69 118.70 120.83 2bun s GLU 93 Ca -0.04 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.67 2bun s GLU 93 Cb -0.13 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 2bun s GLU 93 CO -0.03 -0.59 -0.15 -1.83 0.02 0.00 0.00 175.26 172.68 2bun s GLU 94 N 1.88 1.06 0.02 1.61 -1.05 -0.01 -5.00 118.70 117.23 2bun s GLU 94 Ca 0.00 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 2bun s GLU 94 Cb -0.16 -1.08 -0.04 0.00 -0.44 0.00 0.00 34.13 32.41 2bun s GLU 94 CO -0.08 0.28 0.99 -1.12 0.95 0.00 0.00 175.26 176.28 2bun s SER 95 N -0.98 7.37 0.45 0.83 0.01 -1.26 0.48 113.70 120.60 2bun s SER 95 Ca 0.03 1.71 0.03 0.00 1.31 0.00 0.00 55.95 59.04 2bun s SER 95 Cb -0.08 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2bun s SER 95 CO 0.01 -0.24 0.03 0.27 0.41 0.00 0.00 173.24 173.71 2bun s ILE 96 N 0.84 1.33 -1.06 1.44 -4.36 0.86 -4.84 121.20 115.41 2bun s ILE 96 Ca 0.52 -2.00 0.19 0.00 -0.26 0.00 0.00 60.65 59.09 2bun s ILE 96 Cb -0.22 -2.48 -0.16 0.00 1.25 0.00 0.00 42.46 40.85 2bun s ILE 96 CO 0.28 0.00 0.82 0.00 0.24 0.00 0.00 174.94 176.29 2bun n ALA 97 N -1.08 4.19 -0.76 2.27 0.00 -1.26 -3.62 120.51 120.25 2bun n ALA 97 Ca -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2bun n ALA 97 Cb 0.67 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.15 0.00 -1.19 0.00 0.00 -1.26 -4.16 118.16 110.40 2bun n LYS 98 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.33 2bun n LYS 98 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.33 2bun n LYS 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2bun n ARG 99 N -0.71 -0.16 -0.07 1.64 1.74 -1.26 -4.94 116.66 112.90 2bun n ARG 99 Ca 0.00 0.52 -0.11 0.00 -0.77 0.00 0.00 57.85 57.49 2bun n ARG 99 Cb 0.00 -4.12 -0.07 0.00 -1.02 0.00 0.00 32.46 27.25 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bun h ARG 100 N 0.00 0.00 0.00 5.56 3.08 -1.99 -3.41 114.38 117.62 2bun h ARG 100 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2bun h ARG 100 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2bun h ARG 100 CO 0.07 0.57 -0.79 1.19 -1.07 0.00 0.00 179.97 179.94 2bun n PHE 101 N -4.61 0.00 0.00 3.04 3.01 -1.26 -4.99 117.46 112.65 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 0.37 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.43 0.00 -3.01 4.37 0.00 -1.26 -4.76 120.51 114.42 2bun n ALA 102 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2bun n ALA 102 Cb 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.38 0.20 0.21 0.00 0.00 -1.26 -4.84 107.32 100.24 2bun s GLY 103 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 2bun s GLY 103 CO 0.00 -0.55 0.77 0.86 0.00 0.00 0.00 173.10 174.17 2bun s TRP 104 N -3.92 3.77 -0.02 1.90 -0.00 -1.24 -1.01 118.94 118.42 2bun s TRP 104 Ca 0.13 1.54 0.04 0.00 -0.00 0.00 0.00 56.10 57.81 2bun s TRP 104 Cb 0.01 -2.71 -0.01 0.00 -0.00 0.00 0.00 33.47 30.76 2bun s TRP 104 CO -0.01 0.40 -0.15 -1.01 -0.00 0.00 0.00 176.95 176.19 2bun s HIS 105 N -1.37 1.33 -0.11 5.86 3.76 0.06 -4.75 115.29 120.09 2bun s HIS 105 Ca 0.40 -0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2bun s HIS 105 Cb -0.20 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 2bun s HIS 105 CO 0.23 -0.05 -0.01 1.41 -0.85 0.00 0.00 174.74 175.48 2bun s MET 106 N -0.25 3.18 0.09 1.40 1.75 -1.26 -1.29 119.30 122.92 2bun s MET 106 Ca 0.04 -0.44 -0.09 0.00 -1.25 0.00 0.00 55.69 53.94 2bun s MET 106 Cb -0.07 -2.83 -0.20 0.00 2.84 0.00 0.00 34.83 34.58 2bun s MET 106 CO -0.00 0.56 1.21 0.37 -0.65 0.00 0.00 175.02 176.51 2bun h GLN 107 N 5.63 0.53 0.00 4.11 4.15 -1.92 -3.41 115.11 124.19 2bun h GLN 107 Ca -0.45 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.34 2bun h GLN 107 Cb 1.19 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.07 2bun h GLN 107 CO 0.57 1.24 0.00 1.28 -1.93 0.00 0.00 178.83 180.00 2bun n LEU 108 N -3.76 2.82 0.00 -2.39 7.99 -1.26 -4.78 117.00 115.62 2bun n LEU 108 Ca -0.10 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 2bun n LEU 108 Cb 0.90 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 44.20 2bun n LEU 108 CO 0.54 -0.02 0.00 -1.20 -1.51 0.00 0.00 177.39 175.21 2bun n SER 109 N -0.55 0.00 0.00 -1.43 7.64 -1.26 -1.33 113.62 116.68 2bun n SER 109 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bun n SER 109 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2bun n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bun n SER 111 N -0.32 -6.17 0.00 0.00 3.41 -0.44 -3.78 113.62 106.31 2bun n SER 111 Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2bun n SER 111 Cb 0.00 -4.16 0.00 0.00 -0.26 0.00 0.00 64.21 59.79 2bun n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bun n GLU 112 N -3.32 0.00 -1.15 4.33 1.02 -1.26 -4.58 120.64 115.67 2bun n GLU 112 Ca -0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 2bun n GLU 112 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.99 2bun n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bun n ALA 113 N 0.19 -0.08 -0.02 0.62 0.00 -1.25 -4.88 120.51 115.10 2bun n ALA 113 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2bun n ALA 113 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.21 0.00 -0.03 0.00 2.03 -1.26 -4.81 116.55 112.26 2bun n ASP 114 Ca -0.05 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.14 2bun n ASP 114 Cb 0.32 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 2bun n ASP 114 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2bun h MET 115 N 0.00 -0.04 0.00 -0.67 4.05 -1.91 -3.47 114.93 112.90 2bun h MET 115 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2bun h MET 115 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2bun h MET 115 CO 0.00 0.65 0.00 0.54 0.23 0.00 0.00 176.91 178.33 2bun n ARG 116 N -4.74 0.00 0.00 0.39 1.74 -1.26 -4.80 116.66 107.98 2bun n ARG 116 Ca -0.08 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.05 2bun n ARG 116 Cb 0.35 -3.21 0.31 0.00 -1.02 0.00 0.00 32.46 28.89 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 0.00 0.00 0.00 0.55 7.64 -1.26 -0.03 113.62 120.52 2bun n SER 117 Ca 0.00 -0.72 0.11 0.00 1.01 0.00 0.00 58.87 59.28 2bun n SER 117 Cb 0.00 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.82 0.00 0.00 -3.43 -0.00 -1.26 -4.79 117.00 106.71 2bun n LEU 118 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2bun n LEU 118 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2bun n LEU 118 CO 0.06 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 2bun n GLY 119 N 0.55 1.35 0.06 1.47 0.00 -1.12 -4.98 105.19 102.52 2bun n GLY 119 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.02 -7.63 0.99 5.85 -1.74 -3.34 115.31 109.46 2bun h LEU 120 Ca 0.00 -0.36 -0.73 0.00 0.84 0.00 0.00 57.88 57.63 2bun h LEU 120 Cb 0.00 -0.01 -0.32 0.00 0.37 0.00 0.00 40.66 40.70 2bun h LEU 120 CO 0.00 0.38 -0.17 0.00 -0.34 0.00 0.00 178.44 178.31 2bun s ALA 121 N -4.77 3.83 -0.13 1.25 0.00 0.95 -4.79 121.76 118.10 2bun s ALA 121 Ca -0.15 -3.35 0.11 0.00 0.00 0.00 0.00 51.96 48.57 2bun s ALA 121 Cb 0.03 -2.99 -0.23 0.00 0.00 0.00 0.00 23.12 19.93 2bun s ALA 121 CO 0.68 -2.18 0.33 -1.91 0.00 0.00 0.00 175.76 172.68 2bun n GLU 122 N 3.54 0.67 -1.95 0.00 2.13 -1.26 -4.01 120.64 119.76 2bun n GLU 122 Ca 0.11 0.17 -0.02 0.00 0.66 0.00 0.00 57.16 58.09 2bun n GLU 122 Cb 0.41 -1.66 -0.02 0.00 0.27 0.00 0.00 31.44 30.44 2bun n GLU 122 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2bun n SER 123 N -3.02 -3.43 0.28 4.31 7.64 -1.26 -4.85 113.62 113.29 2bun n SER 123 Ca -0.27 0.90 0.16 0.00 1.01 0.00 0.00 58.87 60.66 2bun n SER 123 Cb 1.08 -3.41 0.77 0.00 -1.01 0.00 0.00 64.21 61.64 2bun n SER 123 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2bun h ARG 124 N 2.36 0.00 0.00 1.43 -0.00 -2.00 -3.56 114.38 112.62 2bun h ARG 124 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.80 2bun h ARG 124 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 2bun h ARG 124 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 179.97 180.91