#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdg h LEU 34 N 0.00 0.15 -1.74 -0.89 5.85 -1.98 -2.54 115.31 114.16 2xdg h LEU 34 Ca 0.00 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2xdg h LEU 34 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2xdg h LEU 34 CO 0.00 1.04 -0.17 0.03 -0.34 0.00 0.00 178.44 179.00 2xdg h ARG 35 N 0.04 0.00 0.13 1.25 -0.00 -1.98 0.07 114.38 113.89 2xdg h ARG 35 Ca -0.04 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 59.15 2xdg h ARG 35 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.66 2xdg h ARG 35 CO 0.14 0.17 -1.31 1.05 0.00 0.00 0.00 179.97 180.02 2xdg h GLU 36 N 0.00 0.28 -0.43 0.04 -0.00 -1.97 -1.71 114.58 110.78 2xdg h GLU 36 Ca -0.00 -0.48 -0.05 0.00 -0.00 0.00 0.00 59.36 58.83 2xdg h GLU 36 Cb 0.36 0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.27 2xdg h GLU 36 CO 0.02 1.21 0.08 -0.44 -0.00 0.00 0.00 179.01 179.88 2xdg h ASP 37 N 0.08 0.68 0.55 3.06 5.19 -1.24 -2.18 116.42 122.57 2xdg h ASP 37 Ca -0.16 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2xdg h ASP 37 Cb 1.99 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 41.32 2xdg h ASP 37 CO 0.20 0.76 -0.33 -0.08 -3.12 0.00 0.00 179.24 176.67 2xdg h GLU 38 N 0.57 -0.80 -0.01 3.56 4.81 -1.02 -1.05 114.58 120.65 2xdg h GLU 38 Ca 0.13 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2xdg h GLU 38 Cb 0.36 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2xdg h GLU 38 CO 0.01 -0.53 -0.35 1.03 -0.73 0.00 0.00 179.01 178.44 2xdg h SER 39 N -0.83 -1.05 -0.90 1.04 0.87 -1.34 -0.15 113.55 111.19 2xdg h SER 39 Ca -0.07 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2xdg h SER 39 Cb 0.67 0.42 -0.05 0.00 -0.44 0.00 0.00 62.40 63.00 2xdg h SER 39 CO 0.08 -0.40 0.59 0.00 -0.53 0.00 0.00 176.83 176.57 2xdg h ALA 40 N 0.19 1.38 -0.16 6.23 0.00 -1.34 0.93 119.26 126.49 2xdg h ALA 40 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xdg h ALA 40 Cb 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xdg h ALA 40 CO -0.29 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.62 2xdg h LEU 42 N 0.18 0.43 -1.88 0.00 3.38 -0.21 0.15 115.31 117.37 2xdg h LEU 42 Ca 0.06 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2xdg h LEU 42 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2xdg h LEU 42 CO -0.01 0.63 0.02 1.56 0.09 0.00 0.00 178.44 180.73 2xdg h GLN 43 N 0.23 0.09 -0.20 1.13 4.20 -0.88 -0.65 115.11 119.03 2xdg h GLN 43 Ca 0.07 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.57 2xdg h GLN 43 Cb 0.40 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.17 2xdg h GLN 43 CO 0.01 0.09 -0.69 0.00 -0.67 0.00 0.00 178.83 177.57 2xdg h ALA 44 N 1.93 0.39 -0.22 3.87 0.00 -0.79 -3.30 119.26 121.14 2xdg h ALA 44 Ca 0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 2xdg h ALA 44 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2xdg h ALA 44 CO -0.00 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.60 2xdg h ALA 45 N 0.63 1.01 0.00 0.00 0.00 0.20 -2.68 119.26 118.43 2xdg h ALA 45 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2xdg h ALA 45 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2xdg h ALA 45 CO 0.14 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.38 2xdg n GLU 46 N -4.07 0.07 -0.03 0.00 1.02 -0.34 -2.87 120.64 114.42 2xdg n GLU 46 Ca -0.01 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2xdg n GLU 46 Cb 0.46 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.70 2xdg n GLU 46 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2xdg n GLU 47 N -1.45 2.00 -2.10 3.49 1.02 -1.01 -4.99 120.64 117.61 2xdg n GLU 47 Ca 0.06 -1.47 -0.32 0.00 -0.02 0.00 0.00 57.16 55.41 2xdg n GLU 47 Cb 0.21 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2xdg n GLU 47 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2xdg s MET 48 N -1.93 3.71 0.74 3.49 -1.94 -1.14 -5.03 119.30 117.21 2xdg s MET 48 Ca 0.34 0.87 -0.16 0.00 -1.71 0.00 0.00 55.69 55.02 2xdg s MET 48 Cb 0.20 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 2xdg s MET 48 CO 0.31 -0.47 0.48 -2.30 -0.01 0.00 0.00 175.02 173.03 2xdg n PRO 49 N -2.22 0.24 -0.03 2.03 -0.02 -1.26 -4.96 135.00 128.78 2xdg n PRO 49 Ca 0.06 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2xdg n PRO 49 Cb 0.54 -1.80 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 2xdg n PRO 49 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2xdg h GLN 50 N -0.47 0.14 -6.74 -0.52 -0.00 -1.99 -3.45 115.11 102.07 2xdg h GLN 50 Ca -0.45 -0.08 -0.52 0.00 -0.00 0.00 0.00 58.65 57.59 2xdg h GLN 50 Cb 1.34 0.01 0.05 0.00 0.00 0.00 0.00 27.48 28.88 2xdg h GLN 50 CO 0.41 0.63 0.69 0.99 0.00 0.00 0.00 178.83 181.55 2xdg s THR 51 N -4.10 2.92 -0.51 2.39 2.01 -1.26 -4.98 115.64 112.10 2xdg s THR 51 Ca -0.15 0.79 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 2xdg s THR 51 Cb 0.03 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 69.07 2xdg s THR 51 CO 0.71 0.14 0.83 -0.89 -0.69 0.00 0.00 174.62 174.71 2xdg s THR 52 N -0.18 4.57 -0.22 -0.82 2.01 -1.26 -5.02 115.64 114.71 2xdg s THR 52 Ca 0.56 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.63 2xdg s THR 52 Cb -0.39 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 2xdg s THR 52 CO 0.43 -0.93 0.09 -0.76 -0.69 0.00 0.00 174.62 172.75 2xdg s LEU 53 N 3.47 3.70 0.00 4.42 1.43 -1.26 -5.02 118.68 125.42 2xdg s LEU 53 Ca 0.27 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2xdg s LEU 53 Cb -0.14 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2xdg s LEU 53 CO 0.19 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.43 2xdg n GLY 54 N 4.34 0.48 3.34 -3.19 0.00 -1.26 -4.71 105.19 104.20 2xdg n GLY 54 Ca -0.16 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 2xdg n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdg s PRO 56 N 1.13 3.36 0.33 0.00 0.04 -1.26 -1.87 135.00 136.73 2xdg s PRO 56 Ca 0.02 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2xdg s PRO 56 Cb -0.15 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 2xdg s PRO 56 CO -0.01 -0.87 0.45 0.00 0.04 0.00 0.00 177.00 176.60 2xdg n ALA 57 N -1.12 -2.24 -3.50 8.56 0.00 -1.26 -4.65 120.51 116.29 2xdg n ALA 57 Ca 0.11 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.64 2xdg n ALA 57 Cb 0.49 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 2xdg n ALA 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2xdg s THR 58 N -1.34 0.01 -0.27 0.00 -1.32 -0.49 -4.93 115.64 107.29 2xdg s THR 58 Ca 0.62 -0.05 -0.06 0.00 -1.21 0.00 0.00 61.69 60.99 2xdg s THR 58 Cb -0.72 -0.95 -0.00 0.00 -1.51 0.00 0.00 72.50 69.31 2xdg s THR 58 CO 0.59 -0.03 0.05 0.86 -2.21 0.00 0.00 174.62 173.88 2xdg s TRP 59 N -0.93 3.10 -2.45 9.09 -0.11 -1.26 0.11 118.94 126.49 2xdg s TRP 59 Ca -0.09 -0.89 0.23 0.00 1.22 0.00 0.00 56.10 56.56 2xdg s TRP 59 Cb -0.01 -2.21 0.61 0.00 -1.50 0.00 0.00 33.47 30.35 2xdg s TRP 59 CO 0.08 -0.54 1.49 -0.40 -4.62 0.00 0.00 176.95 172.96 2xdg n ASP 60 N 4.86 2.40 0.00 5.86 5.68 -0.86 -4.93 116.55 129.55 2xdg n ASP 60 Ca -0.16 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 2xdg n ASP 60 Cb 0.49 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2xdg n ASP 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2xdg n GLY 61 N 1.29 2.75 0.41 6.12 0.00 -1.26 -4.83 105.19 109.66 2xdg n GLY 61 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2xdg n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xdg n LEU 62 N 0.00 1.64 -4.34 0.99 4.77 -1.26 -5.02 117.00 113.79 2xdg n LEU 62 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2xdg n LEU 62 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2xdg n LEU 62 CO 0.00 0.25 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.00 2xdg s LEU 63 N -5.11 2.28 -0.45 2.23 1.43 -1.26 -4.80 118.68 113.00 2xdg s LEU 63 Ca 0.00 -0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2xdg s LEU 63 Cb 0.00 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.17 2xdg s LEU 63 CO 0.00 0.14 0.68 0.00 0.23 0.00 0.00 176.35 177.40 2xdg s TRP 65 N 2.92 3.37 0.95 0.00 0.52 0.12 -4.95 118.94 121.87 2xdg s TRP 65 Ca 0.23 1.06 -0.12 0.00 0.02 0.00 0.00 56.10 57.29 2xdg s TRP 65 Cb -0.14 -2.91 0.16 0.00 -1.15 0.00 0.00 33.47 29.42 2xdg s TRP 65 CO 0.19 -0.25 1.09 -1.25 0.02 0.00 0.00 176.95 176.75 2xdg s PRO 66 N 2.19 0.84 0.38 4.98 0.04 -1.26 -1.40 135.00 140.78 2xdg s PRO 66 Ca 0.33 0.77 -0.27 0.00 0.04 0.00 0.00 61.00 61.86 2xdg s PRO 66 Cb -0.16 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2xdg s PRO 66 CO 0.10 -2.51 1.38 0.95 0.04 0.00 0.00 177.00 176.96 2xdg s THR 67 N -2.89 2.36 0.07 1.26 -4.23 -1.26 -4.21 115.64 106.74 2xdg s THR 67 Ca 0.64 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 2xdg s THR 67 Cb -0.19 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2xdg s THR 67 CO 0.58 0.07 -0.08 0.00 -0.54 0.00 0.00 174.62 174.65 2xdg s ALA 68 N -1.17 0.78 0.56 3.99 0.00 -0.78 -4.91 121.76 120.23 2xdg s ALA 68 Ca 0.54 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2xdg s ALA 68 Cb -0.42 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 2xdg s ALA 68 CO 0.56 -0.09 1.01 0.20 0.00 0.00 0.00 175.76 177.43 2xdg s GLY 69 N -2.18 1.94 0.33 0.00 0.00 -1.26 -1.12 107.32 105.02 2xdg s GLY 69 Ca -0.01 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.54 2xdg s GLY 69 CO -0.01 0.39 1.30 1.44 0.00 0.00 0.00 173.10 176.22 2xdg n SER 70 N -2.01 2.76 0.00 1.64 7.64 -1.26 -2.13 113.62 120.27 2xdg n SER 70 Ca 0.07 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2xdg n SER 70 Cb 0.54 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2xdg n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xdg n GLY 71 N 0.91 0.35 3.85 0.23 0.00 0.61 -4.99 105.19 106.16 2xdg n GLY 71 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2xdg n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xdg s GLU 72 N -0.63 2.97 0.20 1.61 2.02 -0.90 -4.99 118.70 118.98 2xdg s GLU 72 Ca 0.00 -1.05 0.07 0.00 0.02 0.00 0.00 54.97 54.01 2xdg s GLU 72 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 2xdg s GLU 72 CO 0.00 0.35 -0.12 1.67 0.02 0.00 0.00 175.26 177.18 2xdg s TRP 73 N -2.14 1.60 -0.06 1.61 -2.14 -1.26 -0.74 118.94 115.80 2xdg s TRP 73 Ca 0.35 -0.65 0.05 0.00 2.66 0.00 0.00 56.10 58.50 2xdg s TRP 73 Cb -0.08 -0.78 -0.00 0.00 -3.10 0.00 0.00 33.47 29.51 2xdg s TRP 73 CO 0.26 0.25 -0.21 0.08 -2.66 0.00 0.00 176.95 174.68 2xdg s VAL 74 N -3.10 1.74 -0.15 -0.66 1.01 -0.45 -4.96 120.40 113.84 2xdg s VAL 74 Ca 0.22 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2xdg s VAL 74 Cb 0.01 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2xdg s VAL 74 CO 0.06 0.49 -0.12 -0.89 0.00 0.00 0.00 175.10 174.64 2xdg s THR 75 N 0.07 3.10 0.15 3.92 2.01 -1.26 -1.59 115.64 122.04 2xdg s THR 75 Ca -0.07 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.40 2xdg s THR 75 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2xdg s THR 75 CO 0.04 0.51 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.47 2xdg s LEU 76 N 0.54 2.41 0.86 4.42 1.43 0.56 -4.90 118.68 124.00 2xdg s LEU 76 Ca -0.08 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 2xdg s LEU 76 Cb -0.15 -1.26 0.11 0.00 0.03 0.00 0.00 46.19 44.91 2xdg s LEU 76 CO 0.04 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 2xdg s PRO 77 N -2.24 1.56 0.70 1.29 0.04 -1.26 -0.44 135.00 134.64 2xdg s PRO 77 Ca 0.16 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 2xdg s PRO 77 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2xdg s PRO 77 CO 0.08 -2.06 1.04 0.00 0.04 0.00 0.00 177.00 176.09 2xdg n PRO 79 N -1.87 -1.15 -0.31 0.00 -0.02 -1.26 -4.84 135.00 125.56 2xdg n PRO 79 Ca 0.14 -0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2xdg n PRO 79 Cb 0.49 -1.95 0.24 0.00 -0.02 0.00 0.00 33.50 32.26 2xdg n PRO 79 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2xdg h ASP 80 N -1.99 0.61 -0.52 2.55 3.04 -1.94 -1.66 116.42 116.51 2xdg h ASP 80 Ca -0.50 0.09 0.15 0.00 -3.24 0.00 0.00 57.03 53.53 2xdg h ASP 80 Cb 1.31 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 39.57 2xdg h ASP 80 CO 0.39 0.26 0.39 2.19 -2.04 0.00 0.00 179.24 180.43 2xdg h PHE 81 N 0.69 0.00 -0.35 4.15 -5.15 -2.02 0.12 116.94 114.38 2xdg h PHE 81 Ca 0.48 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 58.33 2xdg h PHE 81 Cb 0.67 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.82 2xdg h PHE 81 CO -0.07 0.00 0.24 0.35 -2.00 0.00 0.00 178.31 176.83 2xdg h PHE 82 N 0.00 0.10 0.00 6.09 3.57 -1.62 0.78 116.94 125.86 2xdg h PHE 82 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2xdg h PHE 82 Cb 1.02 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2xdg h PHE 82 CO 0.00 0.05 0.29 0.66 -2.23 0.00 0.00 178.31 177.08 2xdg h SER 83 N 0.09 0.00 0.99 0.41 4.64 -0.93 0.42 113.55 119.17 2xdg h SER 83 Ca 0.16 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 2xdg h SER 83 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 2xdg h SER 83 CO -0.02 0.00 -0.93 0.45 -0.87 0.00 0.00 176.83 175.47 2xdg h HIS 84 N 0.00 0.00 0.00 4.77 3.86 -1.03 -3.36 115.15 119.39 2xdg h HIS 84 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2xdg h HIS 84 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2xdg h HIS 84 CO 0.00 0.93 -1.21 1.19 0.86 0.00 0.00 177.93 179.70 2xdg n PHE 85 N -3.39 0.47 -3.59 2.45 3.72 0.14 -4.99 117.46 112.27 2xdg n PHE 85 Ca 0.00 0.14 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 2xdg n PHE 85 Cb 0.89 -0.64 -0.06 0.00 -0.94 0.00 0.00 39.48 38.73 2xdg n PHE 85 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2xdg s SER 86 N -4.56 -0.58 -0.07 4.37 0.15 -0.79 -5.02 113.70 107.20 2xdg s SER 86 Ca -0.00 0.88 0.06 0.00 0.70 0.00 0.00 55.95 57.58 2xdg s SER 86 Cb 0.13 0.81 0.28 0.00 -1.71 0.00 0.00 66.02 65.52 2xdg s SER 86 CO 0.82 -0.37 0.99 -1.54 1.20 0.00 0.00 173.24 174.34 2xdg n SER 87 N 1.61 2.39 -4.90 5.45 3.41 -1.26 -4.31 113.62 116.00 2xdg n SER 87 Ca -0.15 -2.26 -0.30 0.00 -0.26 0.00 0.00 58.87 55.91 2xdg n SER 87 Cb 0.56 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2xdg n SER 87 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2xdg s GLU 88 N -1.63 3.61 0.35 4.33 2.02 -1.26 -5.00 118.70 121.12 2xdg s GLU 88 Ca 0.19 -0.10 0.09 0.00 0.02 0.00 0.00 54.97 55.17 2xdg s GLU 88 Cb 0.13 -2.79 0.65 0.00 0.10 0.00 0.00 34.13 32.23 2xdg s GLU 88 CO 0.07 0.39 1.81 0.77 0.02 0.00 0.00 175.26 178.32 2xdg h SER 89 N 2.36 0.17 -3.53 -0.19 0.02 -1.97 -3.44 113.55 106.96 2xdg h SER 89 Ca -0.47 -0.05 0.30 0.00 -0.84 0.00 0.00 61.79 60.72 2xdg h SER 89 Cb 1.18 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 2xdg h SER 89 CO 0.70 0.47 -0.61 0.61 -1.14 0.00 0.00 176.83 176.86 2xdg n GLY 90 N -0.52 -2.25 3.48 -3.77 0.00 -1.26 -1.07 105.19 99.80 2xdg n GLY 90 Ca -0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 2xdg n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdg s ALA 91 N -2.64 -1.48 -0.05 4.61 0.00 -1.26 -3.93 121.76 117.02 2xdg s ALA 91 Ca 0.00 1.88 0.01 0.00 0.00 0.00 0.00 51.96 53.85 2xdg s ALA 91 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2xdg s ALA 91 CO 0.00 -0.31 -0.06 0.08 0.00 0.00 0.00 175.76 175.47 2xdg s VAL 92 N 1.06 0.67 -0.05 0.00 1.01 0.41 -4.66 120.40 118.85 2xdg s VAL 92 Ca -0.06 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2xdg s VAL 92 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2xdg s VAL 92 CO -0.10 0.25 -0.08 -0.75 0.00 0.00 0.00 175.10 174.42 2xdg s LYS 93 N 0.85 2.65 0.13 2.72 2.20 0.63 -0.33 119.74 128.59 2xdg s LYS 93 Ca -0.12 -0.62 0.10 0.00 -0.36 0.00 0.00 55.97 54.96 2xdg s LYS 93 Cb -0.15 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2xdg s LYS 93 CO 0.01 0.64 -0.24 1.03 -0.36 0.00 0.00 175.35 176.43 2xdg s ARG 94 N -0.96 1.28 -0.14 4.03 0.52 -0.62 -0.67 118.95 122.39 2xdg s ARG 94 Ca 0.13 -1.29 -0.05 0.00 -0.52 0.00 0.00 55.73 54.00 2xdg s ARG 94 Cb -0.11 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 2xdg s ARG 94 CO 0.03 0.38 0.04 -0.51 0.02 0.00 0.00 175.30 175.26 2xdg s ASP 95 N -2.08 5.48 -0.41 0.23 1.01 -1.26 -1.35 116.67 118.30 2xdg s ASP 95 Ca 0.11 0.11 -0.19 0.00 0.71 0.00 0.00 52.55 53.30 2xdg s ASP 95 Cb -0.10 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 42.04 2xdg s ASP 95 CO 0.06 0.26 0.54 0.00 0.21 0.00 0.00 175.17 176.23 2xdg s THR 97 N 2.48 3.12 -0.23 0.00 -4.23 -0.10 -0.28 115.64 116.39 2xdg s THR 97 Ca 0.18 -1.89 0.26 0.00 -1.18 0.00 0.00 61.69 59.06 2xdg s THR 97 Cb -0.15 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.12 2xdg s THR 97 CO 0.16 -0.29 1.79 0.16 -0.54 0.00 0.00 174.62 175.90 2xdg h ILE 98 N 1.80 0.00 -0.68 2.99 3.07 -1.96 0.21 117.51 122.93 2xdg h ILE 98 Ca -0.44 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.78 2xdg h ILE 98 Cb 1.25 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 2xdg h ILE 98 CO 0.63 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.08 2xdg n THR 99 N -2.43 1.67 0.00 0.16 -2.24 -1.26 -5.07 114.28 105.10 2xdg n THR 99 Ca 0.01 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2xdg n THR 99 Cb 0.18 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2xdg n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xdg n GLY 100 N 1.29 -0.32 3.75 3.38 0.00 0.74 -5.01 105.19 109.02 2xdg n GLY 100 Ca 0.26 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2xdg n GLY 100 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2xdg s TRP 101 N -0.04 3.81 0.99 1.61 0.23 -1.26 -0.93 118.94 123.35 2xdg s TRP 101 Ca 0.00 1.82 -0.16 0.00 -2.03 0.00 0.00 56.10 55.73 2xdg s TRP 101 Cb 0.00 -3.11 0.21 0.00 0.03 0.00 0.00 33.47 30.60 2xdg s TRP 101 CO 0.00 0.02 1.32 -1.54 0.96 0.00 0.00 176.95 177.71 2xdg s SER 102 N -0.99 2.89 0.61 2.95 1.04 -0.43 -4.95 113.70 114.82 2xdg s SER 102 Ca 0.43 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 2xdg s SER 102 Cb -0.28 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 2xdg s SER 102 CO 0.36 -2.88 1.03 -1.61 0.98 0.00 0.00 173.24 171.12 2xdg s GLU 103 N -5.88 3.56 0.35 4.02 0.41 -1.26 -4.64 118.70 115.27 2xdg s GLU 103 Ca 0.74 0.81 -0.29 0.00 -0.41 0.00 0.00 54.97 55.83 2xdg s GLU 103 Cb -0.04 -2.08 -0.11 0.00 -1.78 0.00 0.00 34.13 30.13 2xdg s GLU 103 CO 0.53 -0.60 1.46 -2.14 -0.49 0.00 0.00 175.26 174.02 2xdg s PRO 104 N -5.00 4.18 -0.01 0.39 0.02 -1.26 -4.64 135.00 128.67 2xdg s PRO 104 Ca 0.56 2.48 0.01 0.00 0.02 0.00 0.00 61.00 64.07 2xdg s PRO 104 Cb -0.11 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.41 2xdg s PRO 104 CO 0.51 -0.46 -0.03 0.12 -0.33 0.00 0.00 177.00 176.81 2xdg s PHE 105 N -0.92 0.36 1.04 6.54 5.36 0.15 -3.71 117.98 126.81 2xdg s PHE 105 Ca 0.54 -0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 56.31 2xdg s PHE 105 Cb -0.45 -0.30 0.21 0.00 -0.34 0.00 0.00 43.02 42.15 2xdg s PHE 105 CO 0.58 -0.05 1.09 -1.25 -1.46 0.00 0.00 175.22 174.13 2xdg s PRO 106 N 0.25 0.06 0.41 10.12 0.04 -1.26 -0.27 135.00 144.36 2xdg s PRO 106 Ca -0.02 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.21 2xdg s PRO 106 Cb -0.05 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.68 2xdg s PRO 106 CO -0.00 -2.96 1.21 -2.30 0.04 0.00 0.00 177.00 172.98 2xdg n PRO 107 N -4.33 1.80 -0.33 0.56 -0.02 -1.24 -4.44 135.00 127.00 2xdg n PRO 107 Ca 0.06 0.64 0.27 0.00 -2.02 0.00 0.00 63.50 62.44 2xdg n PRO 107 Cb 0.57 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.27 2xdg n PRO 107 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2xdg h TYR 108 N 1.99 0.64 0.00 6.00 0.05 -1.96 0.14 116.97 123.83 2xdg h TYR 108 Ca -0.47 0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.33 2xdg h TYR 108 Cb 1.30 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.93 2xdg h TYR 108 CO 0.47 -0.42 -0.13 -1.35 -1.05 0.00 0.00 178.16 175.68 2xdg h PRO 109 N 0.05 0.00 0.00 4.88 0.11 -1.89 0.47 132.00 135.62 2xdg h PRO 109 Ca 0.77 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.84 2xdg h PRO 109 Cb 1.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.03 2xdg h PRO 109 CO -0.78 0.13 -0.23 0.28 -0.21 0.00 0.00 178.00 177.19 2xdg h VAL 110 N 0.00 1.52 -0.65 3.15 2.07 -1.14 -3.30 116.25 117.90 2xdg h VAL 110 Ca -0.00 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 2xdg h VAL 110 Cb 0.57 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 2xdg h VAL 110 CO 0.02 0.52 0.31 0.00 0.02 0.00 0.00 177.57 178.43 2xdg h ALA 111 N -0.15 0.84 -2.08 1.67 0.00 -0.82 -3.36 119.26 115.35 2xdg h ALA 111 Ca -0.06 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 2xdg h ALA 111 Cb 0.99 -0.26 -0.40 0.00 0.00 0.00 0.00 17.79 18.12 2xdg h ALA 111 CO -0.04 0.41 -0.98 0.00 0.00 0.00 0.00 179.25 178.64 2xdg s PRO 113 N -2.25 3.83 0.05 0.00 0.04 -1.24 -4.72 135.00 130.72 2xdg s PRO 113 Ca 0.40 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.14 2xdg s PRO 113 Cb 0.25 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2xdg s PRO 113 CO -0.09 -0.46 0.06 0.14 0.04 0.00 0.00 177.00 176.69 2xdg s VAL 114 N -1.61 4.49 0.33 -0.36 -7.23 -1.26 -5.00 120.40 109.75 2xdg s VAL 114 Ca 0.63 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.85 2xdg s VAL 114 Cb -0.26 -3.12 -0.13 0.00 0.56 0.00 0.00 36.38 33.43 2xdg s VAL 114 CO 0.32 0.20 0.85 -2.65 -0.31 0.00 0.00 175.10 173.51 2xdg n PRO 115 N 0.74 1.02 0.21 4.82 -0.02 -1.26 -4.86 135.00 135.65 2xdg n PRO 115 Ca -0.10 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 2xdg n PRO 115 Cb 0.52 -1.70 0.45 0.00 -0.02 0.00 0.00 33.50 32.75 2xdg n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2xdg h LEU 116 N 1.53 0.00 -1.09 2.45 3.38 -1.97 -1.97 115.31 117.63 2xdg h LEU 116 Ca -0.39 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.64 2xdg h LEU 116 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2xdg h LEU 116 CO 0.57 0.27 0.61 -0.33 0.09 0.00 0.00 178.44 179.66 2xdg h GLU 117 N 0.00 1.06 -0.08 1.13 3.07 -1.94 -1.94 114.58 115.88 2xdg h GLU 117 Ca -0.00 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2xdg h GLU 117 Cb 0.73 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2xdg h GLU 117 CO 0.04 0.70 0.03 -0.07 -1.40 0.00 0.00 179.01 178.31 2xdg h LEU 118 N 1.09 0.09 -3.40 1.33 3.38 -1.70 -1.35 115.31 114.76 2xdg h LEU 118 Ca 0.40 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2xdg h LEU 118 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2xdg h LEU 118 CO -0.15 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.64 2xdg n LEU 119 N -4.51 5.35 -3.28 1.67 4.77 -0.89 -4.95 117.00 115.17 2xdg n LEU 119 Ca -0.02 -2.75 -0.21 0.00 -0.03 0.00 0.00 56.01 53.01 2xdg n LEU 119 Cb 0.10 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2xdg n LEU 119 CO 0.35 0.71 -0.16 0.00 -1.33 0.00 0.00 177.39 176.96 2xdg n ALA 120 N 0.81 -1.01 1.32 -1.18 0.00 -0.51 -5.10 120.51 114.85 2xdg n ALA 120 Ca 0.27 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2xdg n ALA 120 Cb 1.08 -0.98 0.37 0.00 0.00 0.00 0.00 19.45 19.92 2xdg n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89