#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 3.23 -0.03 3.23 2.56 -1.26 -4.99 118.70 121.43 2bun s GLU 6 Ca 0.00 1.40 -0.28 0.00 0.00 0.00 0.00 54.97 56.09 2bun s GLU 6 Cb 0.00 -2.01 -0.03 0.00 2.00 0.00 0.00 34.13 34.09 2bun s GLU 6 CO 0.00 -0.91 0.88 0.00 -0.56 0.00 0.00 175.26 174.67 2bun s ALA 7 N -2.16 3.24 0.27 6.30 0.00 -1.26 -5.01 121.76 123.14 2bun s ALA 7 Ca 0.68 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2bun s ALA 7 Cb -0.20 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2bun s ALA 7 CO 0.33 -0.21 1.20 0.34 0.00 0.00 0.00 175.76 177.43 2bun s ASP 8 N 0.94 7.05 0.58 0.00 2.15 -1.26 -4.91 116.67 121.22 2bun s ASP 8 Ca 0.47 2.41 0.32 0.00 0.43 0.00 0.00 52.55 56.17 2bun s ASP 8 Cb -0.20 -2.63 1.78 0.00 -0.30 0.00 0.00 42.92 41.57 2bun s ASP 8 CO 0.24 -0.34 2.20 -0.37 -0.17 0.00 0.00 175.17 176.72 2bun h VAL 9 N 3.26 0.42 -5.76 1.11 -1.51 -2.02 -3.47 116.25 108.28 2bun h VAL 9 Ca -0.47 -0.23 -0.14 0.00 -1.23 0.00 0.00 66.70 64.64 2bun h VAL 9 Cb 1.22 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2bun h VAL 9 CO 0.69 0.04 -0.37 0.35 -1.23 0.00 0.00 177.57 177.05 2bun n THR 10 N -3.59 -8.31 0.03 7.19 -2.24 -1.26 -4.96 114.28 101.14 2bun n THR 10 Ca -0.02 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 2bun n THR 10 Cb 0.15 -5.83 -0.14 0.00 -2.10 0.00 0.00 70.33 62.40 2bun n THR 10 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2bun h MET 11 N 0.48 0.30 0.00 -0.78 2.86 -1.95 -3.48 114.93 112.36 2bun h MET 11 Ca -0.18 -0.52 -0.40 0.00 -2.06 0.00 0.00 59.70 56.54 2bun h MET 11 Cb 1.12 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 2bun h MET 11 CO 0.31 1.25 -0.15 0.25 1.06 0.00 0.00 176.91 179.63 2bun n THR 12 N -3.71 0.00 0.00 2.22 -2.24 -1.26 -4.81 114.28 104.48 2bun n THR 12 Ca -0.27 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 2bun n THR 12 Cb 1.00 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2bun n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bun n GLY 13 N 0.01 3.01 0.00 3.38 0.00 -1.26 -5.06 105.19 105.26 2bun n GLY 13 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2bun n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bun n SER 14 N 0.00 0.00 -2.42 1.61 7.64 -1.26 -4.99 113.62 114.20 2bun n SER 14 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 2bun n SER 14 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.92 7.20 -4.38 6.43 5.75 -1.26 -4.84 116.55 124.54 2bun n ASP 15 Ca 0.00 -3.79 -0.30 0.00 -0.01 0.00 0.00 54.79 50.69 2bun n ASP 15 Cb 0.00 -0.90 -0.14 0.00 -1.03 0.00 0.00 41.12 39.06 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 -3.84 2.29 -0.01 -2.12 2.01 -1.24 -3.73 118.68 112.03 2bun s LEU 16 Ca 0.60 -0.65 -0.11 0.00 0.01 0.00 0.00 54.13 53.99 2bun s LEU 16 Cb 0.48 -1.29 0.01 0.00 0.01 0.00 0.00 46.19 45.40 2bun s LEU 16 CO -0.10 0.22 0.22 -0.69 1.01 0.00 0.00 176.35 177.01 2bun s VAL 17 N -0.94 0.07 -0.07 -1.59 1.01 0.14 -0.05 120.40 118.97 2bun s VAL 17 Ca 0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2bun s VAL 17 Cb -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2bun s VAL 17 CO 0.04 -0.31 -0.03 -0.55 0.00 0.00 0.00 175.10 174.26 2bun s SER 18 N -1.27 1.59 -0.22 3.32 0.15 0.10 -0.59 113.70 116.78 2bun s SER 18 Ca -0.13 -0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 2bun s SER 18 Cb -0.06 -0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 2bun s SER 18 CO 0.03 -0.15 0.21 0.00 1.20 0.00 0.00 173.24 174.53 2bun s TYR 21 N 1.18 2.43 0.10 0.00 -0.85 0.51 -3.42 117.35 117.30 2bun s TYR 21 Ca -0.02 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.19 2bun s TYR 21 Cb -0.20 -1.26 -0.03 0.00 0.38 0.00 0.00 41.96 40.85 2bun s TYR 21 CO -0.03 0.61 -0.16 -0.98 -1.52 0.00 0.00 175.55 173.47 2bun s ARG 22 N -3.61 0.97 0.15 -3.49 3.03 -0.02 -1.12 118.95 114.86 2bun s ARG 22 Ca 0.32 -1.10 -0.01 0.00 2.03 0.00 0.00 55.73 56.97 2bun s ARG 22 Cb -0.02 -1.02 -0.04 0.00 -1.03 0.00 0.00 34.95 32.85 2bun s ARG 22 CO 0.17 0.22 0.08 -1.54 -1.13 0.00 0.00 175.30 173.10 2bun s SER 23 N -2.01 0.27 -0.52 -2.89 1.04 0.10 -0.27 113.70 109.41 2bun s SER 23 Ca 0.04 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.25 2bun s SER 23 Cb -0.08 0.32 0.42 0.00 0.10 0.00 0.00 66.02 66.77 2bun s SER 23 CO 0.03 -0.76 1.48 0.18 0.98 0.00 0.00 173.24 175.16 2bun n LEU 24 N -0.14 5.87 0.00 2.42 7.99 -1.26 -0.11 117.00 131.77 2bun n LEU 24 Ca -0.04 -4.86 0.00 0.00 -0.01 0.00 0.00 56.01 51.10 2bun n LEU 24 Cb 0.64 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2bun n LEU 24 CO 0.31 1.98 0.00 0.00 -1.51 0.00 0.00 177.39 178.17 2bun n ALA 25 N -0.63 -0.48 -1.71 -1.18 0.00 -1.02 -4.43 120.51 111.06 2bun n ALA 25 Ca 0.48 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 2bun n ALA 25 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 2bun n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bun n ALA 26 N 0.64 2.20 0.15 0.00 0.00 -1.26 -4.70 120.51 117.54 2bun n ALA 26 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.94 2bun n ALA 26 Cb 0.00 -2.43 0.53 0.00 0.00 0.00 0.00 19.45 17.55 2bun n ALA 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bun n PRO 27 N 2.84 0.12 -0.51 0.00 -0.04 -1.26 -0.93 135.00 135.22 2bun n PRO 27 Ca 0.12 0.62 0.09 0.00 -0.04 0.00 0.00 63.50 64.30 2bun n PRO 27 Cb 0.34 -1.93 0.32 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.18 4.37 -4.76 3.54 5.75 -1.26 -4.96 116.55 117.04 2bun n ASP 28 Ca -0.01 -2.37 -0.40 0.00 -0.01 0.00 0.00 54.79 52.00 2bun n ASP 28 Cb 0.05 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 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 -1.69 4.50 -0.13 -2.12 1.43 -0.11 -5.02 118.68 115.55 2bun s LEU 29 Ca 0.47 2.44 -0.05 0.00 -1.03 0.00 0.00 54.13 55.96 2bun s LEU 29 Cb 0.29 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2bun s LEU 29 CO 0.24 -0.31 0.07 0.42 0.23 0.00 0.00 176.35 177.00 2bun s THR 30 N -1.11 4.91 0.26 5.49 -4.23 -1.26 -5.00 115.64 114.70 2bun s THR 30 Ca 0.47 -0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 2bun s THR 30 Cb -0.35 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.61 2bun s THR 30 CO 0.46 0.57 1.92 0.25 -0.54 0.00 0.00 174.62 177.27 2bun h LEU 31 N 5.54 1.10 -1.70 4.79 5.85 -2.00 -0.93 115.31 127.97 2bun h LEU 31 Ca -0.48 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2bun h LEU 31 Cb 1.20 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2bun h LEU 31 CO 0.61 0.77 -0.17 -0.09 -0.34 0.00 0.00 178.44 179.22 2bun h ARG 32 N 1.29 0.00 -0.21 1.25 9.65 -1.98 0.26 114.38 124.64 2bun h ARG 32 Ca 0.39 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 59.21 2bun h ARG 32 Cb -0.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 2bun h ARG 32 CO -0.11 0.17 -0.10 -0.44 2.80 0.00 0.00 179.97 182.28 2bun h ASP 33 N 0.00 0.45 -0.30 -3.80 5.19 -1.59 -0.80 116.42 115.57 2bun h ASP 33 Ca -0.00 -0.41 -0.09 0.00 -0.62 0.00 0.00 57.03 55.91 2bun h ASP 33 Cb 0.44 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2bun h ASP 33 CO 0.02 0.76 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.74 2bun h LEU 34 N 0.14 0.70 -0.60 1.55 -0.00 -0.63 0.18 115.31 116.65 2bun h LEU 34 Ca 0.05 -0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.59 2bun h LEU 34 Cb 0.59 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2bun h LEU 34 CO 0.03 0.83 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.77 2bun h LEU 35 N 0.65 0.62 -0.27 1.67 -0.00 -1.04 0.13 115.31 117.07 2bun h LEU 35 Ca 0.11 -0.30 -0.20 0.00 -0.00 0.00 0.00 57.88 57.49 2bun h LEU 35 Cb 0.55 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2bun h LEU 35 CO 0.03 0.99 -0.70 0.44 -0.00 0.00 0.00 178.44 179.20 2bun h ASP 36 N 0.46 0.84 0.20 -0.43 5.19 -0.78 -3.12 116.42 118.79 2bun h ASP 36 Ca 0.03 -0.52 0.01 0.00 -0.62 0.00 0.00 57.03 55.93 2bun h ASP 36 Cb 0.98 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 2bun h ASP 36 CO 0.09 1.30 -0.35 0.40 -3.12 0.00 0.00 179.24 177.56 2bun h ILE 37 N 0.51 0.27 -0.36 0.35 2.04 -0.20 -0.16 117.51 119.96 2bun h ILE 37 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2bun h ILE 37 Cb 1.31 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2bun h ILE 37 CO 0.14 0.00 -0.10 1.62 0.00 0.00 0.00 178.15 179.81 2bun h VAL 38 N -0.63 0.62 -0.60 1.67 3.04 -0.84 0.34 116.25 119.85 2bun h VAL 38 Ca 0.01 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.60 2bun h VAL 38 Cb 0.63 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 2bun h VAL 38 CO -0.16 0.00 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.07 2bun h GLU 39 N -0.01 1.06 -0.01 4.17 5.08 -1.47 -2.83 114.58 120.58 2bun h GLU 39 Ca 0.18 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 2bun h GLU 39 Cb 0.28 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2bun h GLU 39 CO -0.38 1.04 -0.90 1.15 -1.00 0.00 0.00 179.01 178.92 2bun h THR 40 N 0.96 1.41 -0.49 1.13 2.02 -0.48 -3.18 112.91 114.29 2bun h THR 40 Ca 0.17 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 2bun h THR 40 Cb 0.56 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2bun h THR 40 CO 0.03 0.72 0.26 -1.28 0.37 0.00 0.00 175.52 175.62 2bun h SER 41 N 0.22 0.62 -0.71 4.18 0.87 -0.23 -1.76 113.55 116.73 2bun h SER 41 Ca -0.07 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2bun h SER 41 Cb 1.52 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 2bun h SER 41 CO 0.15 0.55 0.46 1.56 -0.53 0.00 0.00 176.83 179.01 2bun h GLN 42 N 0.65 0.88 -0.33 2.24 4.20 -1.54 0.10 115.11 121.30 2bun h GLN 42 Ca 0.17 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2bun h GLN 42 Cb 0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2bun h GLN 42 CO -0.03 0.58 0.09 0.00 -0.67 0.00 0.00 178.83 178.81 2bun h ALA 43 N 1.29 0.44 -0.00 3.87 0.00 -1.44 0.29 119.26 123.71 2bun h ALA 43 Ca 0.28 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 2bun h ALA 43 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bun h ALA 43 CO -0.09 0.10 -0.95 1.25 0.00 0.00 0.00 179.25 179.56 2bun h HIS 44 N 0.39 0.65 -0.21 0.00 -0.00 -1.12 -2.70 115.15 112.15 2bun h HIS 44 Ca 0.11 -0.35 -0.18 0.00 -0.00 0.00 0.00 60.37 59.95 2bun h HIS 44 Cb 0.28 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2bun h HIS 44 CO 0.01 1.17 -0.59 -0.91 -0.00 0.00 0.00 177.93 177.62 2bun h ASN 45 N 0.25 0.77 -0.61 3.26 4.21 -0.61 0.30 115.58 123.14 2bun h ASN 45 Ca -0.08 -0.43 -0.04 0.00 1.21 0.00 0.00 56.30 56.96 2bun h ASN 45 Cb 1.58 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.53 2bun h ASN 45 CO 0.17 1.18 0.24 0.00 -1.29 0.00 0.00 177.43 177.73 2bun h ALA 46 N 0.83 1.22 0.32 -0.83 0.00 -0.48 0.44 119.26 120.75 2bun h ALA 46 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2bun h ALA 46 Cb 1.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bun h ALA 46 CO 0.12 0.57 -0.16 -0.09 0.00 0.00 0.00 179.25 179.69 2bun h ARG 47 N 0.93 -0.42 0.00 0.00 2.43 -1.11 -3.00 114.38 113.21 2bun h ARG 47 Ca 0.22 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2bun h ARG 47 Cb 0.20 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2bun h ARG 47 CO -0.02 -0.12 0.00 0.00 -1.51 0.00 0.00 179.97 178.32 2bun n ALA 48 N -2.44 2.60 -1.93 2.80 0.00 0.10 -4.85 120.51 116.80 2bun n ALA 48 Ca -0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 2bun n ALA 48 Cb 0.26 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.06 -0.75 -2.92 0.00 6.02 0.48 -4.64 117.38 114.50 2bun n GLN 49 Ca 0.21 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.38 2bun n GLN 49 Cb 0.13 -4.59 -0.04 0.00 1.02 0.00 0.00 30.24 26.76 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 -2.65 4.29 0.09 1.08 1.02 0.12 -4.73 118.68 117.89 2bun s LEU 50 Ca 0.00 1.29 0.06 0.00 0.02 0.00 0.00 54.13 55.50 2bun s LEU 50 Cb 0.00 -3.24 -0.04 0.00 0.02 0.00 0.00 46.19 42.93 2bun s LEU 50 CO 0.00 -0.23 -0.05 0.42 0.02 0.00 0.00 176.35 176.50 2bun s THR 51 N 1.25 3.68 0.20 5.49 -4.23 0.27 -4.20 115.64 118.09 2bun s THR 51 Ca 0.41 -1.09 -0.22 0.00 -1.18 0.00 0.00 61.69 59.62 2bun s THR 51 Cb -0.18 -2.72 0.08 0.00 1.34 0.00 0.00 72.50 71.01 2bun s THR 51 CO 0.19 0.15 1.03 -0.83 -0.54 0.00 0.00 174.62 174.62 2bun s GLY 52 N -2.15 0.14 0.05 3.99 0.00 -0.07 0.74 107.32 110.02 2bun s GLY 52 Ca 0.23 -0.38 -0.28 0.00 0.00 0.00 0.00 44.72 44.28 2bun s GLY 52 CO 0.15 2.49 1.05 0.00 0.00 0.00 0.00 173.10 176.79 2bun s ALA 53 N -2.12 -1.87 -0.01 3.20 0.00 -1.16 -0.26 121.76 119.54 2bun s ALA 53 Ca 0.22 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 2bun s ALA 53 Cb -0.03 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.58 2bun s ALA 53 CO 0.06 -0.93 0.41 -0.48 0.00 0.00 0.00 175.76 174.81 2bun s LEU 54 N -2.79 0.45 -0.17 0.00 0.05 -0.54 -2.57 118.68 113.11 2bun s LEU 54 Ca 0.11 0.20 -0.00 0.00 0.05 0.00 0.00 54.13 54.49 2bun s LEU 54 Cb 0.00 1.63 0.04 0.00 -2.05 0.00 0.00 46.19 45.81 2bun s LEU 54 CO -0.02 -0.53 -0.07 -0.36 -0.55 0.00 0.00 176.35 174.83 2bun s PHE 55 N -1.54 1.89 -0.35 3.48 0.08 0.11 -3.98 117.98 117.67 2bun s PHE 55 Ca -0.11 -1.21 -0.10 0.00 0.12 0.00 0.00 56.93 55.63 2bun s PHE 55 Cb -0.03 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2bun s PHE 55 CO 0.04 -0.65 0.17 -0.47 -0.10 0.00 0.00 175.22 174.21 2bun s TYR 56 N 1.57 3.22 -0.59 0.36 6.14 -1.26 -0.50 117.35 126.30 2bun s TYR 56 Ca 0.00 -0.95 -0.00 0.00 0.64 0.00 0.00 57.07 56.76 2bun s TYR 56 Cb -0.15 -2.38 0.15 0.00 0.42 0.00 0.00 41.96 39.99 2bun s TYR 56 CO -0.08 -0.62 0.38 -1.12 0.64 0.00 0.00 175.55 174.75 2bun s SER 57 N 1.54 4.90 0.00 4.32 0.01 0.48 -4.93 113.70 120.01 2bun s SER 57 Ca 0.02 -2.93 0.00 0.00 1.31 0.00 0.00 55.95 54.35 2bun s SER 57 Cb -0.19 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2bun s SER 57 CO 0.06 -0.31 0.00 1.67 0.41 0.00 0.00 173.24 175.06 2bun n GLN 58 N 3.33 0.00 0.00 12.44 7.27 -1.26 -1.36 117.38 137.80 2bun n GLN 58 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2bun n GLN 58 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 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 0.00 3.76 1.69 0.00 -1.26 -5.04 105.19 104.35 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 -1.07 5.07 -0.33 1.61 -7.23 -0.46 -2.45 120.40 115.55 2bun s VAL 60 Ca 0.00 0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 61.11 2bun s VAL 60 Cb 0.00 -3.81 0.05 0.00 0.56 0.00 0.00 36.38 33.17 2bun s VAL 60 CO 0.00 0.42 0.08 0.12 -0.31 0.00 0.00 175.10 175.40 2bun s PHE 61 N -0.04 3.27 -0.25 2.82 2.19 0.84 -0.39 117.98 126.43 2bun s PHE 61 Ca 0.26 -1.61 -0.06 0.00 0.33 0.00 0.00 56.93 55.85 2bun s PHE 61 Cb -0.16 -2.27 -0.02 0.00 -1.31 0.00 0.00 43.02 39.26 2bun s PHE 61 CO 0.13 -0.77 0.03 0.12 1.83 0.00 0.00 175.22 176.56 2bun s PHE 62 N 1.34 3.05 -0.03 10.12 5.36 0.35 0.00 117.98 138.18 2bun s PHE 62 Ca -0.02 -0.68 0.00 0.00 -0.96 0.00 0.00 56.93 55.27 2bun s PHE 62 Cb -0.20 -2.20 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 2bun s PHE 62 CO 0.01 -0.46 0.01 -1.14 -1.46 0.00 0.00 175.22 172.18 2bun s GLN 63 N 1.55 0.22 0.10 10.12 -0.44 -0.28 0.05 119.66 130.99 2bun s GLN 63 Ca 0.06 0.10 -0.04 0.00 -2.50 0.00 0.00 55.36 52.98 2bun s GLN 63 Cb -0.15 -0.43 -0.03 0.00 -1.64 0.00 0.00 33.01 30.77 2bun s GLN 63 CO 0.01 -0.14 0.09 1.67 0.50 0.00 0.00 175.29 177.42 2bun s TRP 64 N 1.03 0.51 -0.09 1.67 -2.14 -1.06 -0.36 118.94 118.50 2bun s TRP 64 Ca -0.10 -0.96 -0.09 0.00 2.66 0.00 0.00 56.10 57.62 2bun s TRP 64 Cb -0.13 -0.29 0.02 0.00 -3.10 0.00 0.00 33.47 29.97 2bun s TRP 64 CO -0.02 -0.51 0.25 -0.48 -2.66 0.00 0.00 176.95 173.53 2bun s LEU 65 N -2.95 1.05 -0.23 -4.66 0.05 -0.90 -2.99 118.68 108.05 2bun s LEU 65 Ca 0.13 0.47 -0.10 0.00 0.05 0.00 0.00 54.13 54.69 2bun s LEU 65 Cb 0.06 0.87 -0.05 0.00 -2.05 0.00 0.00 46.19 45.03 2bun s LEU 65 CO -0.05 -0.11 0.13 -1.61 -0.55 0.00 0.00 176.35 174.16 2bun s GLU 66 N 0.04 4.01 0.18 1.48 2.02 0.23 -2.53 118.70 124.12 2bun s GLU 66 Ca -0.01 -0.31 -0.23 0.00 0.02 0.00 0.00 54.97 54.44 2bun s GLU 66 Cb -0.02 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.82 2bun s GLU 66 CO 0.01 0.06 1.01 0.20 0.02 0.00 0.00 175.26 176.56 2bun s GLY 67 N 1.02 -0.01 0.09 -1.39 0.00 0.24 -0.57 107.32 106.70 2bun s GLY 67 Ca 0.07 -0.17 -0.31 0.00 0.00 0.00 0.00 44.72 44.31 2bun s GLY 67 CO 0.04 1.41 1.35 -1.58 0.00 0.00 0.00 173.10 174.32 2bun s HIS 68 N -2.56 3.23 0.21 1.90 2.46 -1.25 0.24 115.29 119.53 2bun s HIS 68 Ca 0.18 1.00 0.01 0.00 0.47 0.00 0.00 55.06 56.73 2bun s HIS 68 Cb -0.02 -3.63 0.52 0.00 -0.13 0.00 0.00 32.58 29.32 2bun s HIS 68 CO 0.04 -2.18 1.06 -2.30 -2.47 0.00 0.00 174.74 168.90 2bun n PRO 69 N 4.12 -0.05 0.12 2.88 -0.01 -1.24 0.14 135.00 140.96 2bun n PRO 69 Ca 0.11 1.01 -0.01 0.00 -0.01 0.00 0.00 63.50 64.61 2bun n PRO 69 Cb 0.43 -1.61 0.05 0.00 -0.01 0.00 0.00 33.50 32.36 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 1.35 0.65 -0.39 3.55 0.00 -1.93 0.77 119.26 123.27 2bun h ALA 70 Ca 0.41 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2bun h ALA 70 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2bun h ALA 70 CO -0.64 0.83 -0.20 0.00 0.00 0.00 0.00 179.25 179.24 2bun h ALA 71 N 1.33 0.55 -0.64 0.00 0.00 -0.67 0.22 119.26 120.04 2bun h ALA 71 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2bun h ALA 71 Cb 1.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2bun h ALA 71 CO 0.09 0.50 0.34 0.28 0.00 0.00 0.00 179.25 180.46 2bun h VAL 72 N 0.62 1.21 -0.16 0.00 2.07 -1.10 -0.30 116.25 118.59 2bun h VAL 72 Ca 0.08 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2bun h VAL 72 Cb 0.76 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bun h VAL 72 CO 0.06 0.23 -0.57 0.00 0.02 0.00 0.00 177.57 177.32 2bun h ALA 73 N 1.16 0.72 -0.94 1.67 0.00 -0.52 0.72 119.26 122.06 2bun h ALA 73 Ca 0.22 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2bun h ALA 73 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2bun h ALA 73 CO -0.03 0.70 0.62 1.49 0.00 0.00 0.00 179.25 182.02 2bun h GLU 74 N 0.38 1.20 -0.08 0.00 4.81 -0.17 0.58 114.58 121.30 2bun h GLU 74 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2bun h GLU 74 Cb 1.10 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2bun h GLU 74 CO 0.10 0.79 -0.01 0.28 -0.73 0.00 0.00 179.01 179.45 2bun h VAL 75 N 1.24 1.28 -0.40 0.32 2.07 -0.57 -2.24 116.25 117.95 2bun h VAL 75 Ca 0.36 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 67.08 2bun h VAL 75 Cb -0.08 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 2bun h VAL 75 CO -0.09 0.24 -0.10 0.24 0.02 0.00 0.00 177.57 177.88 2bun h MET 76 N -0.16 -0.01 -0.52 1.57 2.86 0.13 0.19 114.93 118.99 2bun h MET 76 Ca 0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2bun h MET 76 Cb 0.39 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 2bun h MET 76 CO 0.01 -0.00 0.25 0.77 1.06 0.00 0.00 176.91 179.00 2bun h SER 77 N -0.01 0.35 -0.66 1.22 0.02 0.12 0.60 113.55 115.20 2bun h SER 77 Ca 0.19 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2bun h SER 77 Cb 0.30 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2bun h SER 77 CO -0.41 0.24 0.36 0.45 -1.14 0.00 0.00 176.83 176.33 2bun h HIS 78 N 0.49 0.92 0.04 3.45 3.86 -0.70 -3.13 115.15 120.09 2bun h HIS 78 Ca 0.24 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2bun h HIS 78 Cb 0.17 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2bun h HIS 78 CO -0.11 0.65 -0.39 0.82 0.86 0.00 0.00 177.93 179.76 2bun h ILE 79 N 0.95 1.60 0.00 2.45 2.04 0.24 -3.33 117.51 121.46 2bun h ILE 79 Ca 0.24 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2bun h ILE 79 Cb 0.04 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2bun h ILE 79 CO -0.04 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.72 2bun n GLN 80 N -4.45 0.11 -0.36 2.37 1.13 0.20 -1.32 117.38 115.05 2bun n GLN 80 Ca -0.14 0.52 -0.02 0.00 -1.94 0.00 0.00 57.00 55.42 2bun n GLN 80 Cb 0.60 -1.79 0.11 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.01 1.94 -0.53 -1.09 3.00 -1.18 -4.98 116.66 111.81 2bun n ARG 81 Ca 0.00 -1.07 -0.18 0.00 -0.01 0.00 0.00 57.85 56.59 2bun n ARG 81 Cb 0.08 -1.60 0.02 0.00 0.00 0.00 0.00 32.46 30.95 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 0.09 -2.64 0.00 0.55 2.03 -0.44 -4.92 116.55 111.22 2bun n ASP 82 Ca 0.15 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2bun n ASP 82 Cb 0.73 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 1.09 0.00 -0.22 -0.67 1.85 -1.26 -4.98 116.66 112.47 2bun n ARG 83 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 2bun n ARG 83 Cb 0.26 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 31.85 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 1.74 -3.01 2.89 3.00 -1.26 -4.91 116.66 115.11 2bun n ARG 84 Ca 0.00 -2.71 0.01 0.00 -0.01 0.00 0.00 57.85 55.14 2bun n ARG 84 Cb 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 32.46 30.85 2bun n ARG 84 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2bun s HIS 85 N -2.90 -1.12 0.00 -1.55 -3.43 -1.26 -4.66 115.29 100.37 2bun s HIS 85 Ca 0.35 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 2bun s HIS 85 Cb 0.31 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2bun s HIS 85 CO 0.04 -0.76 0.00 0.43 -2.00 0.00 0.00 174.74 172.45 2bun n SER 86 N 4.09 0.00 0.00 7.38 7.64 -1.26 -1.32 113.62 130.15 2bun n SER 86 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2bun n SER 86 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2bun n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2bun n ASN 87 N 0.00 0.00 -2.35 6.43 3.02 -1.26 -4.89 115.26 116.20 2bun n ASN 87 Ca 0.00 -0.06 -0.17 0.00 -0.03 0.00 0.00 54.58 54.32 2bun n ASN 87 Cb 0.00 0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2bun n ASN 87 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2bun n VAL 88 N -0.09 -1.67 -3.22 2.41 3.14 -0.44 -4.88 118.33 113.58 2bun n VAL 88 Ca 0.00 0.02 -0.46 0.00 -2.96 0.00 0.00 64.34 60.94 2bun n VAL 88 Cb 0.00 -1.52 -0.03 0.00 -1.06 0.00 0.00 33.84 31.24 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 -1.60 3.52 0.00 1.45 2.02 0.62 -4.89 118.70 119.82 2bun s GLU 89 Ca 0.14 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.97 2bun s GLU 89 Cb -0.01 -4.52 0.00 0.00 0.10 0.00 0.00 34.13 29.69 2bun s GLU 89 CO 0.40 -1.43 0.86 -0.89 0.02 0.00 0.00 175.26 174.23 2bun n ILE 90 N 4.54 0.00 0.00 -1.63 2.08 -1.26 -0.84 119.36 122.25 2bun n ILE 90 Ca 0.13 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.80 2bun n ILE 90 Cb 0.47 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.36 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 -2.23 0.00 -3.90 1.39 4.77 -1.26 -3.83 117.00 111.94 2bun n LEU 91 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2bun n LEU 91 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 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 -0.22 1.62 -0.17 -1.18 0.00 -1.22 -5.05 121.76 115.53 2bun s ALA 92 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 2bun s ALA 92 Cb 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 23.12 21.96 2bun s ALA 92 CO 0.00 -0.90 0.03 -1.21 0.00 0.00 0.00 175.76 173.69 2bun s GLU 93 N 1.57 0.59 0.02 0.00 2.02 -1.26 0.12 118.70 121.76 2bun s GLU 93 Ca -0.01 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.72 2bun s GLU 93 Cb -0.16 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 2bun s GLU 93 CO -0.07 -0.59 -0.15 -1.83 0.02 0.00 0.00 175.26 172.64 2bun s GLU 94 N 1.90 1.07 -0.02 1.61 -1.05 -0.28 -4.98 118.70 116.96 2bun s GLU 94 Ca 0.00 -0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 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 1.15 -1.12 0.95 0.00 0.00 175.26 176.45 2bun s SER 95 N -0.82 7.12 0.44 0.83 0.01 -1.26 0.03 113.70 120.06 2bun s SER 95 Ca 0.04 1.83 0.05 0.00 1.31 0.00 0.00 55.95 59.18 2bun s SER 95 Cb -0.07 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 2bun s SER 95 CO 0.01 -0.49 0.02 0.27 0.41 0.00 0.00 173.24 173.46 2bun s ILE 96 N 1.67 1.76 -1.90 1.44 -4.36 0.93 -4.87 121.20 115.87 2bun s ILE 96 Ca 0.56 -1.97 0.21 0.00 -0.26 0.00 0.00 60.65 59.18 2bun s ILE 96 Cb -0.25 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 2bun s ILE 96 CO 0.25 0.00 1.03 0.00 0.24 0.00 0.00 174.94 176.46 2bun n ALA 97 N -1.08 3.48 -0.67 2.27 0.00 -1.26 -3.66 120.51 119.58 2bun n ALA 97 Ca -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2bun n ALA 97 Cb 0.67 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.05 0.00 -1.36 0.00 4.81 -1.26 -4.39 118.16 115.91 2bun n LYS 98 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2bun n LYS 98 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 2bun n LYS 98 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2bun n ARG 99 N -0.70 0.00 -0.08 1.64 3.00 -1.26 -4.97 116.66 114.29 2bun n ARG 99 Ca 0.00 0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 57.88 2bun n ARG 99 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 32.46 29.28 2bun n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bun h ARG 100 N 0.00 0.00 0.00 -0.14 3.08 -1.98 -3.41 114.38 111.93 2bun h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bun h ARG 100 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2bun h ARG 100 CO 0.00 0.62 -0.94 1.19 -1.07 0.00 0.00 179.97 179.77 2bun n PHE 101 N -4.56 0.00 0.00 3.04 3.01 -1.26 -4.98 117.46 112.70 2bun n PHE 101 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 2bun n PHE 101 Cb 0.45 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.51 0.00 -3.10 4.37 0.00 -1.26 -4.77 120.51 114.24 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 0.27 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.46 0.12 0.03 0.00 0.00 -1.26 -4.86 107.32 99.88 2bun s GLY 103 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.05 2bun s GLY 103 CO 0.00 -0.47 0.60 0.86 0.00 0.00 0.00 173.10 174.09 2bun s TRP 104 N -3.91 3.73 -0.10 1.90 -0.00 -1.24 -0.89 118.94 118.44 2bun s TRP 104 Ca 0.12 1.25 0.02 0.00 -0.00 0.00 0.00 56.10 57.48 2bun s TRP 104 Cb 0.00 -2.58 0.02 0.00 -0.00 0.00 0.00 33.47 30.91 2bun s TRP 104 CO -0.02 0.43 -0.14 -1.01 -0.00 0.00 0.00 176.95 176.22 2bun s HIS 105 N -0.51 1.81 -0.11 5.86 3.76 0.65 -4.77 115.29 121.98 2bun s HIS 105 Ca 0.31 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.36 2bun s HIS 105 Cb -0.19 -1.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2bun s HIS 105 CO 0.18 -0.43 0.06 1.41 -0.85 0.00 0.00 174.74 175.11 2bun s MET 106 N 0.98 3.22 0.33 1.40 1.75 -1.26 -1.47 119.30 124.25 2bun s MET 106 Ca -0.07 -0.30 0.13 0.00 -1.25 0.00 0.00 55.69 54.19 2bun s MET 106 Cb -0.15 -2.97 0.58 0.00 2.84 0.00 0.00 34.83 35.13 2bun s MET 106 CO -0.01 0.70 1.73 -0.56 -0.65 0.00 0.00 175.02 176.23 2bun h GLN 107 N 5.21 0.00 -0.72 4.11 3.07 -1.99 -3.02 115.11 121.76 2bun h GLN 107 Ca -0.51 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.20 2bun h GLN 107 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.75 2bun h GLN 107 CO 0.57 0.47 0.03 -0.11 0.09 0.00 0.00 178.83 179.88 2bun n LEU 108 N -3.89 4.47 -0.11 0.06 7.94 -1.26 -4.08 117.00 120.13 2bun n LEU 108 Ca -0.01 -2.28 -0.12 0.00 -1.11 0.00 0.00 56.01 52.49 2bun n LEU 108 Cb 0.50 -0.64 0.01 0.00 0.53 0.00 0.00 43.42 43.82 2bun n LEU 108 CO 0.40 0.54 0.59 0.77 -1.11 0.00 0.00 177.39 178.58 2bun h SER 109 N 2.72 0.95 -3.97 1.96 4.64 -1.95 -3.45 113.55 114.45 2bun h SER 109 Ca 0.03 -0.41 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2bun h SER 109 Cb 1.61 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2bun h SER 109 CO 0.38 1.19 -0.00 0.00 -0.87 0.00 0.00 176.83 177.53 2bun n SER 111 N -2.98 0.00 -3.26 0.00 2.88 -1.26 -5.10 113.62 103.90 2bun n SER 111 Ca 0.01 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.34 2bun n SER 111 Cb 0.02 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 63.56 2bun n SER 111 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bun n GLU 112 N -2.36 -1.95 0.10 -1.46 1.02 -1.26 -4.68 120.64 110.06 2bun n GLU 112 Ca 0.00 1.58 0.12 0.00 -0.02 0.00 0.00 57.16 58.84 2bun n GLU 112 Cb 0.00 -3.88 0.45 0.00 -0.02 0.00 0.00 31.44 28.00 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 -0.82 1.83 -0.19 0.62 0.00 -1.26 -1.23 120.51 119.46 2bun n ALA 113 Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2bun n ALA 113 Cb 0.58 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2bun n ALA 113 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bun h ASP 114 N 0.00 1.04 0.00 0.00 5.19 -2.05 -3.38 116.42 117.22 2bun h ASP 114 Ca 0.00 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 2bun h ASP 114 Cb 0.43 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 2bun h ASP 114 CO 0.00 1.14 -0.59 0.23 -3.12 0.00 0.00 179.24 176.90 2bun n MET 115 N -4.16 0.46 0.00 3.56 2.81 -0.78 -4.94 117.12 114.08 2bun n MET 115 Ca 0.02 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 2bun n MET 115 Cb 0.39 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2bun n MET 115 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bun n ARG 116 N -4.59 0.00 -0.22 0.03 5.12 -0.36 -4.73 116.66 111.90 2bun n ARG 116 Ca -0.09 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.86 2bun n ARG 116 Cb 0.31 -2.27 0.11 0.00 -1.16 0.00 0.00 32.46 29.45 2bun n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2bun n SER 117 N 0.03 2.11 -0.06 0.55 2.88 -1.26 -1.66 113.62 116.21 2bun n SER 117 Ca 0.00 -2.22 -0.11 0.00 -1.33 0.00 0.00 58.87 55.21 2bun n SER 117 Cb 0.00 -0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 2bun n SER 117 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2bun h LEU 118 N 1.11 -0.01 0.00 2.46 3.38 -1.91 -3.45 115.31 116.88 2bun h LEU 118 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2bun h LEU 118 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2bun h LEU 118 CO 0.11 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.12 2bun n GLY 119 N 1.56 0.00 0.40 0.83 0.00 -1.25 -5.06 105.19 101.67 2bun n GLY 119 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2bun n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bun n LEU 120 N 0.00 0.00 -3.18 0.99 4.32 -0.94 -5.07 117.00 113.12 2bun n LEU 120 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 2bun n LEU 120 Cb 0.00 -0.09 0.02 0.00 -1.62 0.00 0.00 43.42 41.73 2bun n LEU 120 CO 0.00 -0.29 -0.15 0.00 -1.22 0.00 0.00 177.39 175.72 2bun n ALA 121 N -1.94 -2.64 -3.66 -1.18 0.00 -0.66 -5.04 120.51 105.39 2bun n ALA 121 Ca 0.00 0.70 -0.07 0.00 0.00 0.00 0.00 53.44 54.07 2bun n ALA 121 Cb 0.00 -2.80 -0.08 0.00 0.00 0.00 0.00 19.45 16.57 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 -2.42 0.43 -0.25 0.00 2.12 -1.26 -5.13 118.70 112.19 2bun s GLU 122 Ca 0.30 1.11 -0.09 0.00 0.36 0.00 0.00 54.97 56.65 2bun s GLU 122 Cb -0.05 0.38 0.11 0.00 0.26 0.00 0.00 34.13 34.83 2bun s GLU 122 CO 0.79 -0.21 0.55 -1.54 -0.54 0.00 0.00 175.26 174.30 2bun s SER 123 N 2.39 -0.74 -0.18 -1.70 1.04 -1.26 -5.10 113.70 108.15 2bun s SER 123 Ca -0.05 1.30 -0.14 0.00 0.48 0.00 0.00 55.95 57.55 2bun s SER 123 Cb -0.11 1.76 0.05 0.00 0.10 0.00 0.00 66.02 67.83 2bun s SER 123 CO -0.15 -0.22 0.45 0.00 0.98 0.00 0.00 173.24 174.30 2bun s ARG 124 N 2.59 0.50 0.00 4.02 3.03 -1.26 -5.34 118.95 122.49 2bun s ARG 124 Ca -0.05 0.72 0.32 0.00 2.03 0.00 0.00 55.73 58.75 2bun s ARG 124 Cb -0.11 0.16 1.88 0.00 -1.03 0.00 0.00 34.95 35.85 2bun s ARG 124 CO -0.16 -0.10 2.21 0.00 -1.13 0.00 0.00 175.30 176.12