#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 4.24 0.12 1.96 2.56 -1.26 -5.00 118.70 121.32 2bun s GLU 6 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 54.97 55.63 2bun s GLU 6 Cb 0.00 -2.55 -0.07 0.00 2.00 0.00 0.00 34.13 33.52 2bun s GLU 6 CO 0.00 0.19 1.14 0.00 -0.56 0.00 0.00 175.26 176.03 2bun s ALA 7 N -1.85 3.38 0.26 6.30 0.00 -1.26 -4.98 121.76 123.60 2bun s ALA 7 Ca 0.53 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 2bun s ALA 7 Cb -0.13 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2bun s ALA 7 CO 0.18 -0.32 1.45 0.34 0.00 0.00 0.00 175.76 177.41 2bun s ASP 8 N 0.43 6.63 0.19 0.00 2.15 -1.26 -4.90 116.67 119.91 2bun s ASP 8 Ca 0.54 2.70 0.18 0.00 0.43 0.00 0.00 52.55 56.40 2bun s ASP 8 Cb -0.29 -2.63 0.83 0.00 -0.30 0.00 0.00 42.92 40.53 2bun s ASP 8 CO 0.33 -0.72 1.56 1.33 -0.17 0.00 0.00 175.17 177.50 2bun n VAL 9 N 2.26 1.05 -1.40 1.11 0.24 -1.26 -5.00 118.33 115.34 2bun n VAL 9 Ca 0.07 0.38 0.19 0.00 -2.04 0.00 0.00 64.34 62.94 2bun n VAL 9 Cb 0.40 -1.30 -0.05 0.00 -1.47 0.00 0.00 33.84 31.42 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 -2.00 0.00 -2.41 3.34 -2.24 -1.26 -4.67 114.28 105.04 2bun n THR 10 Ca 0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2bun n THR 10 Cb 0.14 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.19 4.26 0.00 -0.78 -1.94 -1.26 -4.87 119.30 112.52 2bun s MET 11 Ca 0.00 1.70 0.29 0.00 -1.71 0.00 0.00 55.69 55.97 2bun s MET 11 Cb 0.00 -3.72 1.25 0.00 2.01 0.00 0.00 34.83 34.37 2bun s MET 11 CO 0.00 -0.65 1.86 0.25 -0.01 0.00 0.00 175.02 176.47 2bun n THR 12 N 5.19 0.00 -3.32 2.05 -2.24 -1.26 -4.58 114.28 110.12 2bun n THR 12 Ca 0.13 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2bun n THR 12 Cb 0.45 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.26 -0.50 0.00 3.38 0.00 -1.26 -4.96 107.32 101.73 2bun s GLY 13 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2bun s GLY 13 CO 0.42 2.99 0.00 1.44 0.00 0.00 0.00 173.10 177.95 2bun n SER 14 N 5.26 1.56 -2.48 1.64 7.64 -1.26 -4.48 113.62 121.50 2bun n SER 14 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 2bun n SER 14 Cb 0.49 0.31 0.06 0.00 -1.01 0.00 0.00 64.21 64.05 2bun n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2bun n ASP 15 N -0.49 7.17 -4.61 6.43 5.75 -1.26 -4.74 116.55 124.80 2bun n ASP 15 Ca 0.00 -3.80 -0.24 0.00 -0.01 0.00 0.00 54.79 50.74 2bun n ASP 15 Cb 0.01 -0.90 -0.08 0.00 -1.03 0.00 0.00 41.12 39.11 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 -3.86 2.98 -0.05 -2.12 2.01 -1.11 -3.75 118.68 112.78 2bun s LEU 16 Ca 0.59 -0.89 -0.15 0.00 0.01 0.00 0.00 54.13 53.68 2bun s LEU 16 Cb 0.47 -1.42 0.03 0.00 0.01 0.00 0.00 46.19 45.28 2bun s LEU 16 CO -0.14 -0.12 0.35 -0.69 1.01 0.00 0.00 176.35 176.76 2bun s VAL 17 N -2.46 0.04 -0.25 -1.59 1.01 0.16 -0.02 120.40 117.29 2bun s VAL 17 Ca 0.33 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2bun s VAL 17 Cb -0.03 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2bun s VAL 17 CO 0.19 -0.17 -0.12 -0.44 0.00 0.00 0.00 175.10 174.56 2bun s SER 18 N -0.88 4.28 -0.39 3.32 0.01 0.12 -0.47 113.70 119.69 2bun s SER 18 Ca -0.09 -1.28 -0.18 0.00 1.31 0.00 0.00 55.95 55.71 2bun s SER 18 Cb -0.04 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.65 2bun s SER 18 CO 0.04 -0.16 0.49 0.00 0.41 0.00 0.00 173.24 174.01 2bun s TYR 21 N 1.33 2.57 0.26 0.00 -0.85 0.08 -3.62 117.35 117.12 2bun s TYR 21 Ca 0.02 -0.43 0.09 0.00 -0.52 0.00 0.00 57.07 56.23 2bun s TYR 21 Cb -0.21 -1.50 -0.05 0.00 0.38 0.00 0.00 41.96 40.58 2bun s TYR 21 CO 0.01 0.47 -0.14 -0.98 -1.52 0.00 0.00 175.55 173.39 2bun s ARG 22 N -3.73 1.53 -0.03 -3.49 1.70 0.15 -1.38 118.95 113.70 2bun s ARG 22 Ca 0.35 -1.72 -0.16 0.00 -0.47 0.00 0.00 55.73 53.73 2bun s ARG 22 Cb -0.00 -1.37 0.03 0.00 -0.57 0.00 0.00 34.95 33.03 2bun s ARG 22 CO 0.20 0.19 0.35 -1.12 -1.08 0.00 0.00 175.30 173.84 2bun s SER 23 N -3.43 -0.26 -0.34 -2.89 0.01 0.72 -0.36 113.70 107.16 2bun s SER 23 Ca 0.27 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.75 2bun s SER 23 Cb -0.01 0.39 0.26 0.00 0.21 0.00 0.00 66.02 66.87 2bun s SER 23 CO 0.11 -0.42 1.93 0.18 0.41 0.00 0.00 173.24 175.44 2bun n LEU 24 N 1.43 6.33 0.00 2.44 7.99 -1.26 0.53 117.00 134.46 2bun n LEU 24 Ca -0.20 -3.27 0.00 0.00 -0.01 0.00 0.00 56.01 52.52 2bun n LEU 24 Cb 0.56 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 2bun n LEU 24 CO 0.21 1.17 0.00 0.00 -1.51 0.00 0.00 177.39 177.26 2bun n ALA 25 N 0.10 -0.43 -1.70 -1.18 0.00 -1.00 -4.55 120.51 111.75 2bun n ALA 25 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2bun n ALA 25 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 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 3.60 -1.43 0.00 0.00 -1.25 -4.71 121.76 117.97 2bun s ALA 26 Ca 0.00 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.33 2bun s ALA 26 Cb 0.00 -3.83 0.30 0.00 0.00 0.00 0.00 23.12 19.59 2bun s ALA 26 CO 0.00 -1.52 1.03 -0.35 0.00 0.00 0.00 175.76 174.92 2bun n PRO 27 N 7.31 0.08 -0.30 0.00 -0.04 -1.26 -1.81 135.00 138.98 2bun n PRO 27 Ca 0.19 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2bun n PRO 27 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 2bun n PRO 27 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bun n ASP 28 N -1.28 3.69 -4.71 3.54 5.75 -1.26 -4.95 116.55 117.33 2bun n ASP 28 Ca 0.03 -1.99 -0.29 0.00 -0.01 0.00 0.00 54.79 52.53 2bun n ASP 28 Cb 0.05 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 39.87 2bun n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2bun s LEU 29 N -1.11 2.24 0.00 -2.12 1.43 -0.75 -5.07 118.68 113.30 2bun s LEU 29 Ca 0.43 0.79 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 2bun s LEU 29 Cb 0.23 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2bun s LEU 29 CO 0.31 -2.38 -0.23 0.42 0.23 0.00 0.00 176.35 174.70 2bun s THR 30 N -3.47 2.38 0.21 5.49 -4.23 -1.26 -5.03 115.64 109.73 2bun s THR 30 Ca 0.65 -1.12 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2bun s THR 30 Cb -0.12 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 71.97 2bun s THR 30 CO 0.52 0.49 1.78 0.25 -0.54 0.00 0.00 174.62 177.12 2bun h LEU 31 N 5.14 0.42 -1.81 4.79 5.85 -1.99 -0.39 115.31 127.31 2bun h LEU 31 Ca -0.45 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 2bun h LEU 31 Cb 1.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2bun h LEU 31 CO 0.47 0.26 0.07 -0.09 -0.34 0.00 0.00 178.44 178.80 2bun h ARG 32 N 0.56 0.19 0.00 1.25 9.65 -1.97 0.12 114.38 124.18 2bun h ARG 32 Ca 0.31 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 59.04 2bun h ARG 32 Cb 0.29 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2bun h ARG 32 CO -0.24 0.15 -0.62 -0.44 2.80 0.00 0.00 179.97 181.62 2bun h ASP 33 N 0.20 0.00 -0.08 -3.80 5.19 -1.51 0.29 116.42 116.70 2bun h ASP 33 Ca 0.05 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.29 2bun h ASP 33 Cb 0.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 2bun h ASP 33 CO -0.01 0.62 -0.57 -0.07 -3.12 0.00 0.00 179.24 176.10 2bun h LEU 34 N 0.00 0.76 -1.13 1.55 -0.00 -0.11 -0.22 115.31 116.16 2bun h LEU 34 Ca -0.01 -0.41 -0.06 0.00 -0.00 0.00 0.00 57.88 57.40 2bun h LEU 34 Cb 1.14 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2bun h LEU 34 CO 0.08 1.16 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.33 2bun h LEU 35 N 0.52 0.00 0.08 1.67 -0.00 -0.74 0.17 115.31 117.00 2bun h LEU 35 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.67 2bun h LEU 35 Cb 1.14 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2bun h LEU 35 CO 0.11 0.29 -0.89 -0.78 -0.00 0.00 0.00 178.44 177.17 2bun h ASP 36 N 0.00 0.65 -0.30 -0.43 3.58 -0.18 -3.22 116.42 116.52 2bun h ASP 36 Ca -0.00 -0.83 0.07 0.00 0.42 0.00 0.00 57.03 56.68 2bun h ASP 36 Cb 0.76 -0.20 -0.08 0.00 1.72 0.00 0.00 39.33 41.53 2bun h ASP 36 CO 0.04 1.41 -0.33 0.40 -2.88 0.00 0.00 179.24 177.88 2bun h ILE 37 N -0.02 0.24 -0.89 2.25 2.04 -0.34 -0.75 117.51 120.03 2bun h ILE 37 Ca -0.13 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.84 2bun h ILE 37 Cb 1.62 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 2bun h ILE 37 CO 0.17 0.00 0.53 1.62 0.00 0.00 0.00 178.15 180.47 2bun h VAL 38 N -0.31 0.89 0.76 1.67 3.04 -1.12 0.19 116.25 121.36 2bun h VAL 38 Ca 0.14 -0.29 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 2bun h VAL 38 Cb 0.55 -0.03 0.01 0.00 -2.01 0.00 0.00 31.29 29.80 2bun h VAL 38 CO -0.47 0.15 -0.36 -0.33 -1.01 0.00 0.00 177.57 175.55 2bun h GLU 39 N 0.84 -0.98 -0.09 4.17 5.08 -1.32 -2.09 114.58 120.20 2bun h GLU 39 Ca 0.44 0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.80 2bun h GLU 39 Cb 0.45 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2bun h GLU 39 CO -0.27 -0.64 -0.27 0.00 -1.00 0.00 0.00 179.01 176.83 2bun h THR 40 N -1.07 1.23 0.87 1.13 1.03 -0.91 -2.17 112.91 113.02 2bun h THR 40 Ca -0.10 -1.10 -0.04 0.00 -0.01 0.00 0.00 66.41 65.15 2bun h THR 40 Cb 0.79 1.48 0.01 0.00 -1.07 0.00 0.00 68.15 69.35 2bun h THR 40 CO 0.17 0.33 -0.42 -1.28 -0.01 0.00 0.00 175.52 174.31 2bun h SER 41 N 0.14 -0.99 -0.66 0.00 0.87 -0.52 -2.08 113.55 110.31 2bun h SER 41 Ca 0.02 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2bun h SER 41 Cb 0.57 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2bun h SER 41 CO 0.04 -0.70 0.39 1.56 -0.53 0.00 0.00 176.83 177.59 2bun h GLN 42 N -1.19 0.74 -0.58 2.24 4.20 -1.29 0.09 115.11 119.32 2bun h GLN 42 Ca -0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2bun h GLN 42 Cb 0.90 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 2bun h GLN 42 CO 0.20 0.49 0.24 0.00 -0.67 0.00 0.00 178.83 179.09 2bun h ALA 43 N 1.30 0.75 0.15 3.87 0.00 -1.31 0.49 119.26 124.52 2bun h ALA 43 Ca 0.27 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 2bun h ALA 43 Cb 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bun h ALA 43 CO -0.13 0.35 -1.40 1.25 0.00 0.00 0.00 179.25 179.32 2bun h HIS 44 N 0.79 0.57 -0.30 0.00 -0.00 -1.20 -3.15 115.15 111.86 2bun h HIS 44 Ca 0.19 -0.42 -0.17 0.00 -0.00 0.00 0.00 60.37 59.97 2bun h HIS 44 Cb 0.18 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2bun h HIS 44 CO 0.01 1.38 -0.50 -0.91 -0.00 0.00 0.00 177.93 177.91 2bun h ASN 45 N 0.09 0.93 -0.72 3.26 4.21 -0.73 0.21 115.58 122.83 2bun h ASN 45 Ca -0.20 -0.47 -0.00 0.00 1.21 0.00 0.00 56.30 56.83 2bun h ASN 45 Cb 2.03 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.93 2bun h ASN 45 CO 0.20 1.26 0.44 0.00 -1.29 0.00 0.00 177.43 178.04 2bun h ALA 46 N 0.76 0.92 0.12 -0.83 0.00 -0.14 0.44 119.26 120.52 2bun h ALA 46 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2bun h ALA 46 Cb 1.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bun h ALA 46 CO 0.11 0.38 -0.06 -0.09 0.00 0.00 0.00 179.25 179.59 2bun h ARG 47 N 0.98 -0.15 0.00 0.00 2.43 -1.44 -2.51 114.38 113.68 2bun h ARG 47 Ca 0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2bun h ARG 47 Cb -0.04 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2bun h ARG 47 CO -0.05 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.43 2bun n ALA 48 N -2.24 2.53 -1.37 2.80 0.00 0.70 -4.85 120.51 118.09 2bun n ALA 48 Ca -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 2bun n ALA 48 Cb 0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2bun n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bun n GLN 49 N -1.07 -0.37 -2.78 0.00 6.02 0.85 -4.70 117.38 115.33 2bun n GLN 49 Ca 0.20 0.58 -0.42 0.00 -0.01 0.00 0.00 57.00 57.34 2bun n GLN 49 Cb 0.13 -4.31 -0.03 0.00 1.02 0.00 0.00 30.24 27.05 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 -1.23 4.20 0.11 1.08 1.02 0.12 -4.76 118.68 119.22 2bun s LEU 50 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 54.13 55.53 2bun s LEU 50 Cb 0.00 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 2bun s LEU 50 CO 0.00 -0.44 0.13 0.42 0.02 0.00 0.00 176.35 176.48 2bun s THR 51 N 2.18 4.69 0.19 5.49 -4.23 0.83 -4.03 115.64 120.76 2bun s THR 51 Ca 0.43 -0.81 -0.22 0.00 -1.18 0.00 0.00 61.69 59.91 2bun s THR 51 Cb -0.17 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.42 2bun s THR 51 CO 0.14 0.03 1.03 -0.83 -0.54 0.00 0.00 174.62 174.45 2bun s GLY 52 N -2.70 0.11 -0.06 3.99 0.00 -0.05 0.82 107.32 109.42 2bun s GLY 52 Ca 0.31 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.38 2bun s GLY 52 CO 0.24 2.31 1.11 0.00 0.00 0.00 0.00 173.10 176.76 2bun s ALA 53 N -2.20 -1.99 -0.02 3.20 0.00 -1.17 -0.54 121.76 119.04 2bun s ALA 53 Ca 0.21 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 2bun s ALA 53 Cb -0.03 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2bun s ALA 53 CO 0.05 -0.78 0.33 -0.48 0.00 0.00 0.00 175.76 174.88 2bun s LEU 54 N -2.54 0.79 -0.20 0.00 0.05 -0.87 -2.51 118.68 113.40 2bun s LEU 54 Ca 0.10 0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.42 2bun s LEU 54 Cb 0.00 1.31 0.05 0.00 -2.05 0.00 0.00 46.19 45.51 2bun s LEU 54 CO -0.05 -0.44 -0.07 -0.36 -0.55 0.00 0.00 176.35 174.88 2bun s PHE 55 N -1.26 2.22 -0.41 3.48 0.40 0.11 -2.34 117.98 120.18 2bun s PHE 55 Ca -0.13 -1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 54.58 2bun s PHE 55 Cb -0.05 -1.53 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2bun s PHE 55 CO 0.04 -0.72 0.25 -0.47 0.70 0.00 0.00 175.22 175.02 2bun s TYR 56 N 1.46 3.30 -0.33 0.36 6.14 -1.26 -0.74 117.35 126.28 2bun s TYR 56 Ca -0.02 -1.30 0.01 0.00 0.64 0.00 0.00 57.07 56.39 2bun s TYR 56 Cb -0.17 -2.79 0.08 0.00 0.42 0.00 0.00 41.96 39.50 2bun s TYR 56 CO -0.07 -0.78 0.04 -1.12 0.64 0.00 0.00 175.55 174.26 2bun s SER 57 N 1.96 4.85 0.00 4.32 0.01 -0.17 -4.90 113.70 119.77 2bun s SER 57 Ca 0.02 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2bun s SER 57 Cb -0.22 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.33 2bun s SER 57 CO 0.04 -0.35 0.00 1.67 0.41 0.00 0.00 173.24 175.01 2bun n GLN 58 N 4.46 0.00 0.00 12.44 7.27 -1.26 -1.28 117.38 139.02 2bun n GLN 58 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 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 0.71 3.69 1.69 0.00 -1.26 -5.03 105.19 104.99 2bun n GLY 59 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.47 5.34 -0.21 1.61 -7.23 -0.40 -2.38 120.40 116.67 2bun s VAL 60 Ca 0.00 0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 60.15 2bun s VAL 60 Cb 0.00 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2bun s VAL 60 CO 0.00 0.40 0.54 -0.36 -0.31 0.00 0.00 175.10 175.37 2bun s PHE 61 N 0.69 3.36 -0.19 2.82 0.08 0.19 -1.00 117.98 123.94 2bun s PHE 61 Ca 0.07 0.79 0.01 0.00 0.12 0.00 0.00 56.93 57.93 2bun s PHE 61 Cb -0.12 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 2bun s PHE 61 CO 0.01 -0.14 -0.15 0.12 -0.10 0.00 0.00 175.22 174.97 2bun s PHE 62 N 1.77 2.61 -0.03 0.36 5.36 0.08 -0.20 117.98 127.94 2bun s PHE 62 Ca 0.25 -1.63 0.00 0.00 -0.96 0.00 0.00 56.93 54.59 2bun s PHE 62 Cb -0.16 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.78 2bun s PHE 62 CO 0.10 -0.77 0.01 -1.14 -1.46 0.00 0.00 175.22 171.95 2bun s GLN 63 N 1.34 0.24 0.03 10.12 -0.44 -0.48 0.06 119.66 130.54 2bun s GLN 63 Ca 0.01 0.10 -0.01 0.00 -2.50 0.00 0.00 55.36 52.96 2bun s GLN 63 Cb -0.15 -0.44 -0.03 0.00 -1.64 0.00 0.00 33.01 30.75 2bun s GLN 63 CO -0.10 -0.14 -0.01 1.67 0.50 0.00 0.00 175.29 177.21 2bun s TRP 64 N 1.04 0.35 -0.01 1.67 -2.14 -1.04 -0.74 118.94 118.06 2bun s TRP 64 Ca -0.10 -0.73 0.01 0.00 2.66 0.00 0.00 56.10 57.95 2bun s TRP 64 Cb -0.13 -0.26 0.00 0.00 -3.10 0.00 0.00 33.47 29.98 2bun s TRP 64 CO -0.02 -0.29 -0.04 -0.48 -2.66 0.00 0.00 176.95 173.46 2bun s LEU 65 N -2.12 1.91 -0.22 -4.66 2.34 -0.85 -3.02 118.68 112.07 2bun s LEU 65 Ca -0.05 -0.08 -0.07 0.00 0.06 0.00 0.00 54.13 53.99 2bun s LEU 65 Cb -0.02 -0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.34 2bun s LEU 65 CO -0.05 0.04 0.05 -1.61 -1.06 0.00 0.00 176.35 173.72 2bun s GLU 66 N 0.03 3.74 0.17 1.48 2.02 0.24 -1.83 118.70 124.54 2bun s GLU 66 Ca 0.00 -0.45 -0.23 0.00 0.02 0.00 0.00 54.97 54.31 2bun s GLU 66 Cb -0.03 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 31.04 2bun s GLU 66 CO -0.00 -0.00 1.02 0.20 0.02 0.00 0.00 175.26 176.49 2bun s GLY 67 N 1.11 -0.04 0.03 -1.39 0.00 0.37 -0.12 107.32 107.28 2bun s GLY 67 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 2bun s GLY 67 CO 0.03 1.34 1.45 -1.58 0.00 0.00 0.00 173.10 174.33 2bun s HIS 68 N -2.60 2.83 0.15 1.90 2.46 -1.25 0.39 115.29 119.16 2bun s HIS 68 Ca 0.18 0.75 -0.02 0.00 0.47 0.00 0.00 55.06 56.43 2bun s HIS 68 Cb -0.02 -3.72 0.30 0.00 -0.13 0.00 0.00 32.58 29.01 2bun s HIS 68 CO 0.04 -2.70 0.79 -2.30 -2.47 0.00 0.00 174.74 168.10 2bun n PRO 69 N 5.22 -0.04 0.18 2.88 -0.01 -1.25 0.45 135.00 142.43 2bun n PRO 69 Ca 0.13 0.77 0.06 0.00 -0.01 0.00 0.00 63.50 64.45 2bun n PRO 69 Cb 0.43 -1.18 0.25 0.00 -0.01 0.00 0.00 33.50 32.98 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 1.01 0.88 -0.14 3.55 0.00 -1.93 0.11 119.26 122.73 2bun h ALA 70 Ca 0.27 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2bun h ALA 70 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2bun h ALA 70 CO -0.50 0.48 -0.45 0.00 0.00 0.00 0.00 179.25 178.77 2bun h ALA 71 N 1.62 0.25 -0.76 0.00 0.00 -0.37 0.15 119.26 120.14 2bun h ALA 71 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2bun h ALA 71 Cb 1.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2bun h ALA 71 CO 0.05 0.39 0.47 0.28 0.00 0.00 0.00 179.25 180.44 2bun h VAL 72 N 0.19 1.21 -0.11 0.00 2.07 -1.11 -0.25 116.25 118.25 2bun h VAL 72 Ca -0.02 -0.44 -0.19 0.00 0.82 0.00 0.00 66.70 66.87 2bun h VAL 72 Cb 1.08 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2bun h VAL 72 CO 0.10 0.21 -0.71 0.00 0.02 0.00 0.00 177.57 177.19 2bun h ALA 73 N 1.25 0.54 -0.88 1.67 0.00 -0.70 0.68 119.26 121.83 2bun h ALA 73 Ca 0.28 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.63 2bun h ALA 73 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2bun h ALA 73 CO -0.05 0.73 0.58 1.49 0.00 0.00 0.00 179.25 182.00 2bun h GLU 74 N 0.37 1.07 0.19 0.00 4.81 -0.23 0.51 114.58 121.30 2bun h GLU 74 Ca -0.03 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2bun h GLU 74 Cb 1.30 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2bun h GLU 74 CO 0.13 0.71 -0.09 0.28 -0.73 0.00 0.00 179.01 179.30 2bun h VAL 75 N 1.10 0.90 -0.48 0.32 2.07 -0.77 -2.83 116.25 116.56 2bun h VAL 75 Ca 0.35 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.18 2bun h VAL 75 Cb 0.03 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 2bun h VAL 75 CO -0.11 0.17 -0.22 0.24 0.02 0.00 0.00 177.57 177.67 2bun h MET 76 N -0.67 -0.11 -0.53 1.57 2.86 0.14 0.52 114.93 118.71 2bun h MET 76 Ca -0.03 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2bun h MET 76 Cb 0.48 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 2bun h MET 76 CO 0.04 -0.08 0.24 1.03 1.06 0.00 0.00 176.91 179.21 2bun h SER 77 N -0.12 0.32 0.19 1.22 0.87 -0.11 0.94 113.55 116.87 2bun h SER 77 Ca 0.23 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2bun h SER 77 Cb 0.47 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2bun h SER 77 CO -0.56 0.22 -0.17 -0.74 -0.53 0.00 0.00 176.83 175.05 2bun h HIS 78 N 0.47 0.00 0.02 2.24 6.17 -0.93 -2.92 115.15 120.20 2bun h HIS 78 Ca 0.24 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 61.01 2bun h HIS 78 Cb 0.19 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.07 2bun h HIS 78 CO -0.12 0.17 -1.84 -0.89 0.71 0.00 0.00 177.93 175.96 2bun n ILE 79 N -4.24 1.61 1.17 6.26 5.41 0.05 -4.07 119.36 125.55 2bun n ILE 79 Ca -0.02 -0.78 0.11 0.00 1.00 0.00 0.00 62.75 63.06 2bun n ILE 79 Cb 0.24 -1.10 0.59 0.00 -0.71 0.00 0.00 39.64 38.66 2bun n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bun n GLN 80 N -3.09 0.48 -0.26 0.38 1.13 0.31 -1.24 117.38 115.09 2bun n GLN 80 Ca -0.21 0.05 -0.03 0.00 -1.94 0.00 0.00 57.00 54.86 2bun n GLN 80 Cb 1.06 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.97 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 -1.16 1.50 0.00 -1.09 3.00 -1.19 -5.00 116.66 112.73 2bun n ARG 81 Ca 0.13 -0.71 0.00 0.00 -0.01 0.00 0.00 57.85 57.26 2bun n ARG 81 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.17 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 0.13 0.00 0.00 0.55 2.03 -0.37 -4.84 116.55 114.04 2bun n ASP 82 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2bun n ASP 82 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2bun n ASP 82 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2bun n ARG 83 N 0.00 0.00 -0.33 -0.67 1.85 -1.26 -4.95 116.66 111.30 2bun n ARG 83 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 2bun n ARG 83 Cb 0.00 0.00 0.22 0.00 -1.05 0.00 0.00 32.46 31.63 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 2.46 -0.61 2.89 5.12 -1.26 -4.90 116.66 120.36 2bun n ARG 84 Ca 0.00 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 2bun n ARG 84 Cb 0.00 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 0.70 -0.54 0.47 -1.55 1.44 -1.26 -4.82 115.22 109.66 2bun n HIS 85 Ca 0.16 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.92 2bun n HIS 85 Cb 0.52 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.64 2bun n HIS 85 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2bun n SER 86 N -0.54 1.39 0.00 4.39 2.88 -1.26 -3.85 113.62 116.63 2bun n SER 86 Ca 0.00 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2bun n SER 86 Cb 0.00 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2bun n SER 86 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bun n ASN 87 N -0.06 0.00 -3.12 -3.46 2.85 -1.26 -4.73 115.26 105.48 2bun n ASN 87 Ca 0.05 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.45 2bun n ASN 87 Cb 0.23 0.19 0.01 0.00 1.24 0.00 0.00 39.78 41.45 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 2bun n VAL 88 N -2.02 -5.22 -3.60 3.44 3.14 -1.24 -4.96 118.33 107.86 2bun n VAL 88 Ca 0.00 0.76 -0.40 0.00 -2.96 0.00 0.00 64.34 61.75 2bun n VAL 88 Cb 0.00 -4.28 -0.07 0.00 -1.06 0.00 0.00 33.84 28.43 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 -1.50 2.83 0.00 1.45 2.02 0.52 -4.92 118.70 119.10 2bun s GLU 89 Ca 0.08 -2.44 0.00 0.00 0.02 0.00 0.00 54.97 52.63 2bun s GLU 89 Cb -0.01 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2bun s GLU 89 CO 0.38 -1.21 1.00 -0.89 0.02 0.00 0.00 175.26 174.56 2bun n ILE 90 N 3.75 0.00 0.00 -1.63 2.08 -1.26 -0.67 119.36 121.62 2bun n ILE 90 Ca 0.08 1.50 0.00 0.00 0.56 0.00 0.00 62.75 64.89 2bun n ILE 90 Cb 0.41 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.22 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 -2.83 0.00 -3.88 1.39 4.77 -1.26 -3.72 117.00 111.47 2bun n LEU 91 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2bun n LEU 91 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2bun n LEU 91 CO 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 175.64 2bun s ALA 92 N 0.00 1.29 -0.17 -1.18 0.00 -1.24 -5.06 121.76 115.40 2bun s ALA 92 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2bun s ALA 92 Cb 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2bun s ALA 92 CO 0.00 -0.57 0.05 -1.21 0.00 0.00 0.00 175.76 174.03 2bun s GLU 93 N 1.72 0.48 0.06 0.00 2.02 -1.26 0.15 118.70 121.89 2bun s GLU 93 Ca 0.03 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.84 2bun s GLU 93 Cb -0.14 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 2bun s GLU 93 CO -0.08 -0.61 -0.23 -1.83 0.02 0.00 0.00 175.26 172.53 2bun s GLU 94 N 1.95 1.83 -0.32 1.61 -1.05 -0.16 -4.94 118.70 117.62 2bun s GLU 94 Ca 0.00 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.43 2bun s GLU 94 Cb -0.16 -2.04 0.01 0.00 -0.44 0.00 0.00 34.13 31.50 2bun s GLU 94 CO -0.08 0.51 1.15 -1.54 0.95 0.00 0.00 175.26 176.26 2bun s SER 95 N -1.47 6.83 0.50 0.83 1.04 -1.26 0.15 113.70 120.32 2bun s SER 95 Ca 0.13 1.06 0.04 0.00 0.48 0.00 0.00 55.95 57.66 2bun s SER 95 Cb -0.10 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 2bun s SER 95 CO 0.04 -0.97 0.16 0.27 0.98 0.00 0.00 173.24 173.72 2bun s ILE 96 N 3.94 1.59 -1.45 -1.02 -4.36 0.98 -4.89 121.20 115.98 2bun s ILE 96 Ca 0.49 -1.78 0.13 0.00 -0.26 0.00 0.00 60.65 59.23 2bun s ILE 96 Cb -0.13 -2.37 0.06 0.00 1.25 0.00 0.00 42.46 41.27 2bun s ILE 96 CO 0.19 0.00 0.84 0.00 0.24 0.00 0.00 174.94 176.21 2bun n ALA 97 N -1.40 2.69 -0.69 2.27 0.00 -1.26 -2.77 120.51 119.35 2bun n ALA 97 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2bun n ALA 97 Cb 0.66 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.34 0.00 -1.61 0.00 0.00 -1.26 -4.50 118.16 111.13 2bun n LYS 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 2bun n LYS 98 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2bun n ARG 99 N -0.21 0.00 -0.09 1.64 3.00 -1.26 -4.97 116.66 114.78 2bun n ARG 99 Ca 0.00 0.05 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 2bun n ARG 99 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 32.46 29.37 2bun n ARG 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2bun n ARG 100 N -1.20 0.51 -0.00 -0.14 1.74 -1.26 -4.63 116.66 111.67 2bun n ARG 100 Ca 0.00 0.49 0.10 0.00 -0.77 0.00 0.00 57.85 57.67 2bun n ARG 100 Cb 0.38 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 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 -4.51 0.00 0.00 -1.55 3.01 -1.26 -4.97 117.46 108.18 2bun n PHE 101 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2bun n PHE 101 Cb 0.48 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 -1.73 0.00 -3.19 4.37 0.00 -1.26 -4.75 120.51 113.94 2bun n ALA 102 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2bun n ALA 102 Cb 0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.00 0.52 0.15 0.00 0.00 -1.26 -4.83 107.32 100.89 2bun s GLY 103 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 2bun s GLY 103 CO 0.00 -0.61 0.63 0.86 0.00 0.00 0.00 173.10 173.98 2bun s TRP 104 N -4.01 3.72 0.13 1.90 -0.00 -1.25 -0.87 118.94 118.56 2bun s TRP 104 Ca 0.22 1.30 0.06 0.00 -0.00 0.00 0.00 56.10 57.67 2bun s TRP 104 Cb -0.01 -2.53 -0.04 0.00 -0.00 0.00 0.00 33.47 30.89 2bun s TRP 104 CO 0.09 0.47 -0.13 -1.01 -0.00 0.00 0.00 176.95 176.36 2bun s HIS 105 N -1.32 1.37 -0.08 5.86 3.76 0.30 -4.77 115.29 120.42 2bun s HIS 105 Ca 0.36 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 2bun s HIS 105 Cb -0.18 -0.72 0.02 0.00 1.11 0.00 0.00 32.58 32.82 2bun s HIS 105 CO 0.20 0.14 -0.07 1.41 -0.85 0.00 0.00 174.74 175.57 2bun s MET 106 N -2.80 1.26 0.08 1.40 1.75 -1.26 -2.05 119.30 117.67 2bun s MET 106 Ca 0.10 -0.21 -0.27 0.00 -1.25 0.00 0.00 55.69 54.06 2bun s MET 106 Cb -0.04 -1.25 -0.17 0.00 2.84 0.00 0.00 34.83 36.21 2bun s MET 106 CO 0.03 -0.14 1.66 0.37 -0.65 0.00 0.00 175.02 176.28 2bun h GLN 107 N 7.61 -0.36 -1.34 4.11 4.15 -1.87 -3.17 115.11 124.25 2bun h GLN 107 Ca -0.31 0.02 -0.21 0.00 0.77 0.00 0.00 58.65 58.93 2bun h GLN 107 Cb 1.15 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.82 2bun h GLN 107 CO 0.42 -0.22 0.27 1.28 -1.93 0.00 0.00 178.83 178.65 2bun n LEU 108 N -5.24 5.27 0.07 -2.39 4.77 -1.26 -3.73 117.00 114.50 2bun n LEU 108 Ca -0.10 -2.66 -0.06 0.00 -0.03 0.00 0.00 56.01 53.16 2bun n LEU 108 Cb 0.18 -0.86 0.10 0.00 -2.33 0.00 0.00 43.42 40.52 2bun n LEU 108 CO 0.35 0.94 0.46 0.28 -1.33 0.00 0.00 177.39 178.09 2bun h SER 109 N 0.86 0.33 -3.57 -1.43 0.02 -1.98 -3.38 113.55 104.40 2bun h SER 109 Ca 0.22 -0.19 -0.71 0.00 -0.84 0.00 0.00 61.79 60.27 2bun h SER 109 Cb 1.28 -0.09 -0.27 0.00 0.14 0.00 0.00 62.40 63.45 2bun h SER 109 CO 0.48 0.86 -0.53 0.00 -1.14 0.00 0.00 176.83 176.49 2bun s SER 111 N 1.71 4.85 -0.09 0.00 1.04 -1.26 -5.03 113.70 114.92 2bun s SER 111 Ca 0.01 0.82 -0.27 0.00 0.48 0.00 0.00 55.95 56.99 2bun s SER 111 Cb -0.21 -1.44 -0.23 0.00 0.10 0.00 0.00 66.02 64.24 2bun s SER 111 CO 0.03 -1.67 0.97 1.05 0.98 0.00 0.00 173.24 174.60 2bun h GLU 112 N -0.84 -0.01 -2.32 4.02 -0.00 -1.98 -3.47 114.58 109.98 2bun h GLU 112 Ca -0.45 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 58.54 2bun h GLU 112 Cb 1.30 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.98 2bun h GLU 112 CO 0.64 0.76 -0.41 0.00 -0.00 0.00 0.00 179.01 180.01 2bun n ALA 113 N -2.50 -0.50 0.00 1.06 0.00 -1.26 -4.75 120.51 112.56 2bun n ALA 113 Ca -0.09 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2bun n ALA 113 Cb 0.38 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2bun n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bun n ASP 114 N -1.55 0.70 -0.06 0.00 2.03 -1.26 -4.78 116.55 111.63 2bun n ASP 114 Ca -0.20 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.96 2bun n ASP 114 Cb 0.63 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.90 2bun n ASP 114 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2bun h MET 115 N 0.00 0.03 0.00 -0.67 2.86 -2.02 -3.46 114.93 111.67 2bun h MET 115 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2bun h MET 115 Cb 0.84 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2bun h MET 115 CO 0.00 1.02 0.00 0.54 1.06 0.00 0.00 176.91 179.53 2bun n ARG 116 N -4.56 0.00 0.00 1.72 1.74 -1.26 -4.67 116.66 109.63 2bun n ARG 116 Ca -0.10 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.07 2bun n ARG 116 Cb 0.51 -3.44 0.52 0.00 -1.02 0.00 0.00 32.46 29.03 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 0.21 0.55 7.64 -1.26 0.12 113.62 120.88 2bun n SER 117 Ca 0.00 -0.12 0.06 0.00 1.01 0.00 0.00 58.87 59.83 2bun n SER 117 Cb 0.00 -0.23 0.46 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.89 -3.44 115.31 109.93 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 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bun h LEU 118 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2bun n GLY 119 N -0.30 0.05 0.06 0.83 0.00 -1.17 -5.00 105.19 99.65 2bun n GLY 119 Ca -0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -7.57 0.99 5.85 -1.60 -3.37 115.31 109.63 2bun h LEU 120 Ca 0.00 -0.42 -0.69 0.00 0.84 0.00 0.00 57.88 57.61 2bun h LEU 120 Cb 0.00 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2bun h LEU 120 CO 0.00 0.43 2.30 0.00 -0.34 0.00 0.00 178.44 180.83 2bun n ALA 121 N -2.31 3.87 0.97 1.25 0.00 0.12 -4.32 120.51 120.09 2bun n ALA 121 Ca -0.08 -3.88 0.10 0.00 0.00 0.00 0.00 53.44 49.58 2bun n ALA 121 Cb 0.22 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 16.07 2bun n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bun n GLU 122 N 7.88 0.99 -2.84 0.00 4.07 -1.26 -4.69 120.64 124.78 2bun n GLU 122 Ca 0.49 -0.72 -0.43 0.00 -0.06 0.00 0.00 57.16 56.43 2bun n GLU 122 Cb 0.45 -1.46 -0.03 0.00 -0.06 0.00 0.00 31.44 30.34 2bun n GLU 122 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2bun s SER 123 N -2.55 6.45 0.06 4.31 1.04 -1.26 -4.71 113.70 117.03 2bun s SER 123 Ca 0.15 -1.58 0.25 0.00 0.48 0.00 0.00 55.95 55.25 2bun s SER 123 Cb 0.17 -2.43 0.44 0.00 0.10 0.00 0.00 66.02 64.30 2bun s SER 123 CO 0.63 -1.27 1.38 -2.11 0.98 0.00 0.00 173.24 172.85 2bun n ARG 124 N 7.33 0.16 0.00 4.02 0.00 -1.26 -5.21 116.66 121.69 2bun n ARG 124 Ca 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2bun n ARG 124 Cb 0.48 -1.60 0.00 0.00 -0.00 0.00 0.00 32.46 31.35 2bun n ARG 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57