#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuz s SER 54 N 0.00 6.41 0.29 1.69 1.04 -1.26 -4.95 113.70 116.92 2uuz s SER 54 Ca 0.00 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.75 2uuz s SER 54 Cb 0.00 -2.41 0.44 0.00 0.10 0.00 0.00 66.02 64.15 2uuz s SER 54 CO 0.00 -0.64 1.79 -0.50 0.98 0.00 0.00 173.24 174.87 2uuz h TRP 55 N 0.46 0.67 -0.22 5.02 4.06 -2.05 -1.50 115.95 122.39 2uuz h TRP 55 Ca -0.46 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.40 2uuz h TRP 55 Cb 1.19 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 2uuz h TRP 55 CO 0.63 0.68 0.14 0.00 -3.56 0.00 0.00 178.44 176.33 2uuz h ALA 56 N 1.35 0.28 -0.42 1.49 0.00 -1.99 -1.35 119.26 118.62 2uuz h ALA 56 Ca 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2uuz h ALA 56 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2uuz h ALA 56 CO 0.02 -0.25 -0.30 -0.09 0.00 0.00 0.00 179.25 178.63 2uuz h ARG 57 N 0.29 0.91 0.31 0.00 2.43 -1.89 -1.55 114.38 114.89 2uuz h ARG 57 Ca 0.08 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2uuz h ARG 57 Cb -0.02 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2uuz h ARG 57 CO -0.03 1.08 -0.19 1.25 -1.51 0.00 0.00 179.97 180.57 2uuz h HIS 58 N 0.77 -0.50 -0.81 2.20 2.76 -1.05 -1.23 115.15 117.29 2uuz h HIS 58 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2uuz h HIS 58 Cb 0.87 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.97 2uuz h HIS 58 CO 0.05 -0.30 0.45 -0.92 -1.30 0.00 0.00 177.93 175.91 2uuz h TYR 59 N -0.49 1.10 -0.22 5.26 5.03 -1.26 -1.04 116.97 125.36 2uuz h TYR 59 Ca -0.03 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.31 2uuz h TYR 59 Cb 0.40 -0.35 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 2uuz h TYR 59 CO -0.09 0.76 -0.12 0.37 -1.32 0.00 0.00 178.16 177.76 2uuz h GLN 60 N 1.12 -0.09 0.25 1.82 4.15 -0.99 0.45 115.11 121.81 2uuz h GLN 60 Ca 0.29 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.71 2uuz h GLN 60 Cb 0.02 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2uuz h GLN 60 CO -0.05 -0.06 -0.25 0.37 -1.93 0.00 0.00 178.83 176.91 2uuz h GLN 61 N -0.10 -0.52 -0.34 1.69 4.15 -0.89 -0.93 115.11 118.17 2uuz h GLN 61 Ca 0.12 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.64 2uuz h GLN 61 Cb 0.28 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 2uuz h GLN 61 CO -0.28 -0.34 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.17 2uuz h LEU 62 N -0.54 -0.21 -0.58 -2.39 4.07 -0.59 -1.89 115.31 113.19 2uuz h LEU 62 Ca -0.01 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.05 2uuz h LEU 62 Cb 0.50 0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 2uuz h LEU 62 CO -0.05 -0.07 0.38 0.00 -1.08 0.00 0.00 178.44 177.62 2uuz h ALA 63 N 1.31 0.74 -0.95 1.53 0.00 0.02 -2.16 119.26 119.75 2uuz h ALA 63 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2uuz h ALA 63 Cb 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2uuz h ALA 63 CO -0.30 0.15 0.62 -0.09 0.00 0.00 0.00 179.25 179.62 2uuz h ARG 64 N 0.77 1.08 -0.39 0.00 1.12 -0.69 -0.11 114.38 116.16 2uuz h ARG 64 Ca 0.22 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.91 2uuz h ARG 64 Cb -0.07 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.64 2uuz h ARG 64 CO -0.06 0.71 -0.21 0.93 -3.11 0.00 0.00 179.97 178.23 2uuz h GLU 65 N 1.11 0.76 -0.23 0.20 5.08 -0.74 -0.40 114.58 120.36 2uuz h GLU 65 Ca 0.40 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2uuz h GLU 65 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2uuz h GLU 65 CO -0.15 0.91 -0.25 1.49 -1.00 0.00 0.00 179.01 180.01 2uuz h GLU 66 N 0.66 0.58 -0.36 2.33 4.81 -0.86 -2.00 114.58 119.75 2uuz h GLU 66 Ca 0.09 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2uuz h GLU 66 Cb 0.72 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2uuz h GLU 66 CO 0.06 0.91 0.21 0.87 -0.73 0.00 0.00 179.01 180.32 2uuz h LYS 67 N 0.28 0.41 -0.81 1.92 1.57 -0.89 0.62 116.57 119.66 2uuz h LYS 67 Ca 0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2uuz h LYS 67 Cb 0.81 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 2uuz h LYS 67 CO 0.06 0.27 0.52 1.49 -0.57 0.00 0.00 179.45 181.22 2uuz h GLU 68 N 0.42 0.98 0.00 3.15 4.81 -1.03 0.18 114.58 123.09 2uuz h GLU 68 Ca 0.14 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2uuz h GLU 68 Cb 0.01 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2uuz h GLU 68 CO -0.07 0.65 -0.50 0.00 -0.73 0.00 0.00 179.01 178.36 2uuz h ALA 69 N 1.34 0.98 0.00 2.92 0.00 -0.68 -0.83 119.26 123.00 2uuz h ALA 69 Ca 0.33 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2uuz h ALA 69 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2uuz h ALA 69 CO -0.11 0.63 -0.82 0.93 0.00 0.00 0.00 179.25 179.87 2uuz h GLU 70 N 0.00 0.00 -0.10 0.00 5.08 -0.36 -2.18 114.58 117.02 2uuz h GLU 70 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2uuz h GLU 70 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2uuz h GLU 70 CO 0.07 0.56 -0.19 1.25 -1.00 0.00 0.00 179.01 179.69 2uuz h LEU 71 N 0.00 0.34 -1.06 1.33 5.85 -0.42 -1.69 115.31 119.66 2uuz h LEU 71 Ca -0.05 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2uuz h LEU 71 Cb 1.52 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2uuz h LEU 71 CO 0.07 0.83 0.56 0.00 -0.34 0.00 0.00 178.44 179.57 2uuz h ALA 72 N 0.52 1.30 -0.73 1.25 0.00 -1.18 -0.68 119.26 119.74 2uuz h ALA 72 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2uuz h ALA 72 Cb 0.77 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2uuz h ALA 72 CO 0.04 0.62 0.32 -0.44 0.00 0.00 0.00 179.25 179.79 2uuz h ASP 73 N 1.22 0.99 -0.64 0.00 3.32 -1.28 -1.14 116.42 118.90 2uuz h ASP 73 Ca 0.32 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2uuz h ASP 73 Cb -0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 2uuz h ASP 73 CO -0.06 0.87 0.11 0.44 -1.72 0.00 0.00 179.24 178.88 2uuz h ASP 74 N 1.04 1.01 0.25 6.45 3.45 -0.52 -3.02 116.42 125.09 2uuz h ASP 74 Ca 0.25 -0.26 -0.10 0.00 0.43 0.00 0.00 57.03 57.35 2uuz h ASP 74 Cb 0.17 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2uuz h ASP 74 CO -0.03 1.00 -0.40 0.24 -1.57 0.00 0.00 179.24 178.49 2uuz h MET 75 N 0.97 0.20 -0.15 3.56 2.86 -0.78 -3.01 114.93 118.57 2uuz h MET 75 Ca 0.20 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2uuz h MET 75 Cb 0.42 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2uuz h MET 75 CO 0.01 0.57 0.03 1.49 1.06 0.00 0.00 176.91 180.07 2uuz h GLU 76 N 0.17 0.21 0.00 1.72 4.81 -1.08 -0.35 114.58 120.05 2uuz h GLU 76 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2uuz h GLU 76 Cb 0.78 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2uuz h GLU 76 CO 0.06 0.21 0.00 1.63 -0.73 0.00 0.00 179.01 180.18 2uuz n LYS 77 N -4.44 0.23 0.00 1.92 5.02 -1.14 -2.85 118.16 116.90 2uuz n LYS 77 Ca -0.01 0.22 0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2uuz n LYS 77 Cb 0.14 -1.79 0.63 0.00 -0.02 0.00 0.00 35.03 33.99 2uuz n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uuz n GLY 78 N 1.19 -0.72 2.22 0.72 0.00 -0.15 -4.43 105.19 104.03 2uuz n GLY 78 Ca 0.05 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2uuz n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uuz n ILE 79 N -0.69 -0.54 -2.11 -0.61 5.41 -1.13 -5.11 119.36 114.57 2uuz n ILE 79 Ca 0.17 -4.04 -0.34 0.00 1.00 0.00 0.00 62.75 59.53 2uuz n ILE 79 Cb 0.27 -1.94 0.01 0.00 -0.71 0.00 0.00 39.64 37.27 2uuz n ILE 79 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2uuz s PRO 80 N -1.16 3.20 0.52 0.38 0.04 -1.26 -4.94 135.00 131.78 2uuz s PRO 80 Ca 0.35 1.54 0.23 0.00 0.04 0.00 0.00 61.00 63.16 2uuz s PRO 80 Cb 0.16 -1.99 1.35 0.00 0.04 0.00 0.00 34.50 34.05 2uuz s PRO 80 CO -0.11 -0.96 2.01 1.96 0.04 0.00 0.00 177.00 179.94 2uuz h GLN 81 N 0.86 0.04 0.00 4.56 4.20 -1.99 -1.93 115.11 120.85 2uuz h GLN 81 Ca -0.49 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2uuz h GLN 81 Cb 1.26 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2uuz h GLN 81 CO 0.56 0.02 0.00 1.12 -0.67 0.00 0.00 178.83 179.86 2uuz h HIS 82 N 0.04 0.00 0.01 2.96 2.07 -1.99 0.52 115.15 118.76 2uuz h HIS 82 Ca 0.22 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.54 2uuz h HIS 82 Cb 0.84 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 2uuz h HIS 82 CO -0.00 0.00 -0.91 -0.07 -3.07 0.00 0.00 177.93 173.88 2uuz h LEU 83 N 0.00 0.26 -0.31 6.12 3.38 -1.72 -2.04 115.31 121.00 2uuz h LEU 83 Ca 0.00 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.55 2uuz h LEU 83 Cb 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2uuz h LEU 83 CO 0.00 1.04 -0.83 -0.26 0.09 0.00 0.00 178.44 178.48 2uuz h PHE 84 N 0.10 0.51 0.19 1.13 0.04 -1.07 -2.31 116.94 115.53 2uuz h PHE 84 Ca -0.05 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 2uuz h PHE 84 Cb 1.55 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.64 2uuz h PHE 84 CO 0.03 1.04 -0.09 1.49 -0.60 0.00 0.00 178.31 180.18 2uuz h GLU 85 N 0.22 -0.25 -0.71 1.51 4.81 -1.20 -1.38 114.58 117.60 2uuz h GLU 85 Ca -0.05 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.34 2uuz h GLU 85 Cb 1.43 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.77 2uuz h GLU 85 CO 0.14 -0.01 0.19 0.77 -0.73 0.00 0.00 179.01 179.38 2uuz h SER 86 N -0.46 0.07 -0.39 1.04 0.02 -1.37 0.24 113.55 112.69 2uuz h SER 86 Ca -0.03 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2uuz h SER 86 Cb 0.35 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 2uuz h SER 86 CO 0.04 0.01 0.06 0.25 -1.14 0.00 0.00 176.83 176.05 2uuz h LEU 87 N 0.31 -0.03 -0.56 5.07 5.85 -1.14 0.16 115.31 124.96 2uuz h LEU 87 Ca 0.39 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2uuz h LEU 87 Cb 0.63 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2uuz h LEU 87 CO -0.46 0.02 0.30 0.00 -0.34 0.00 0.00 178.44 177.95 2uuz h ILE 89 N 0.76 1.16 0.00 0.00 2.04 0.07 0.13 117.51 121.67 2uuz h ILE 89 Ca 0.20 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2uuz h ILE 89 Cb 0.07 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2uuz h ILE 89 CO -0.03 0.22 -0.35 0.47 0.00 0.00 0.00 178.15 178.46 2uuz n ASP 90 N -4.28 0.77 0.00 1.72 10.43 0.50 -4.29 116.55 121.40 2uuz n ASP 90 Ca -0.02 0.33 0.00 0.00 2.57 0.00 0.00 54.79 57.67 2uuz n ASP 90 Cb 0.27 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2uuz n ASP 90 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2uuz n HIS 91 N -2.20 0.00 -0.01 1.24 8.25 -0.75 -4.86 115.22 116.89 2uuz n HIS 91 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.55 2uuz n HIS 91 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 2uuz n HIS 91 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2uuz n LEU 92 N -0.21 0.00 0.16 2.41 4.77 0.43 -4.41 117.00 120.16 2uuz n LEU 92 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2uuz n LEU 92 Cb 0.07 0.05 0.72 0.00 -2.33 0.00 0.00 43.42 41.94 2uuz n LEU 92 CO 0.00 0.05 1.13 1.56 -1.33 0.00 0.00 177.39 178.80 2uuz h GLN 93 N 0.00 0.00 0.00 3.23 4.20 -1.69 0.14 115.11 120.99 2uuz h GLN 93 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2uuz h GLN 93 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2uuz h GLN 93 CO 0.00 0.00 0.00 -0.09 -0.67 0.00 0.00 178.83 178.07 2uuz h ARG 94 N 0.00 0.00 -0.41 1.46 2.43 -1.82 -3.26 114.38 112.78 2uuz h ARG 94 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2uuz h ARG 94 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2uuz h ARG 94 CO -0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 2uuz n HIS 95 N -2.96 1.44 -0.01 2.20 8.25 0.36 -4.92 115.22 119.58 2uuz n HIS 95 Ca 0.04 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 2uuz n HIS 95 Cb 0.48 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2uuz n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uuz n GLY 96 N 0.05 0.86 3.58 -1.41 0.00 -1.13 -5.07 105.19 102.07 2uuz n GLY 96 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2uuz n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuz s ALA 97 N -2.01 3.53 0.50 4.61 0.00 -0.47 -5.01 121.76 122.91 2uuz s ALA 97 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2uuz s ALA 97 Cb 0.00 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2uuz s ALA 97 CO 0.00 -0.74 0.85 -1.54 0.00 0.00 0.00 175.76 174.33 2uuz s SER 98 N 1.71 6.35 0.35 0.00 1.04 -1.26 -3.14 113.70 118.75 2uuz s SER 98 Ca 0.11 1.15 0.06 0.00 0.48 0.00 0.00 55.95 57.74 2uuz s SER 98 Cb -0.16 -2.34 0.72 0.00 0.10 0.00 0.00 66.02 64.34 2uuz s SER 98 CO 0.11 -0.60 1.93 0.11 0.98 0.00 0.00 173.24 175.77 2uuz h LYS 99 N 0.42 0.77 -0.39 4.02 1.57 -1.97 -2.02 116.57 118.97 2uuz h LYS 99 Ca -0.46 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 2uuz h LYS 99 Cb 1.20 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2uuz h LYS 99 CO 0.62 0.51 -0.19 0.87 -0.57 0.00 0.00 179.45 180.69 2uuz h LYS 100 N 0.79 0.74 -0.35 3.15 6.56 -1.99 -0.99 116.57 124.48 2uuz h LYS 100 Ca 0.35 -0.28 -0.13 0.00 -1.06 0.00 0.00 60.65 59.54 2uuz h LYS 100 Cb 0.34 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2uuz h LYS 100 CO -0.13 0.87 -0.29 0.66 -2.06 0.00 0.00 179.45 178.51 2uuz h SER 101 N 0.65 0.77 -0.20 0.86 4.64 -1.76 0.11 113.55 118.62 2uuz h SER 101 Ca 0.10 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 2uuz h SER 101 Cb 0.68 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2uuz h SER 101 CO 0.05 1.01 -0.10 0.40 -0.87 0.00 0.00 176.83 177.32 2uuz h ILE 102 N 0.64 1.31 -0.45 0.95 2.04 -1.32 -2.39 117.51 118.29 2uuz h ILE 102 Ca 0.08 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2uuz h ILE 102 Cb 0.81 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2uuz h ILE 102 CO 0.07 0.36 0.30 0.74 0.00 0.00 0.00 178.15 179.61 2uuz h THR 103 N 0.13 1.12 -0.52 -0.27 2.02 -1.05 0.50 112.91 114.83 2uuz h THR 103 Ca 0.04 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.06 2uuz h THR 103 Cb 0.60 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2uuz h THR 103 CO 0.03 0.11 0.26 -0.09 0.37 0.00 0.00 175.52 176.20 2uuz h ARG 104 N 0.61 0.48 -0.25 6.66 9.65 -0.94 0.45 114.38 131.04 2uuz h ARG 104 Ca 0.16 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2uuz h ARG 104 Cb -0.07 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 2uuz h ARG 104 CO -0.04 0.32 0.05 0.00 2.80 0.00 0.00 179.97 183.10 2uuz h ALA 105 N 1.29 0.33 0.00 2.80 0.00 -0.89 0.33 119.26 123.12 2uuz h ALA 105 Ca 0.24 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2uuz h ALA 105 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2uuz h ALA 105 CO -0.17 0.00 -0.58 0.74 0.00 0.00 0.00 179.25 179.23 2uuz h PHE 106 N 0.22 0.00 0.00 0.00 -1.00 -0.55 -3.18 116.94 112.43 2uuz h PHE 106 Ca 0.08 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.65 2uuz h PHE 106 Cb 0.31 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.83 2uuz h PHE 106 CO 0.02 0.58 -1.77 -0.25 -1.61 0.00 0.00 178.31 175.28 2uuz n ASP 107 N -3.40 2.45 -0.01 2.17 8.00 0.15 -4.79 116.55 121.13 2uuz n ASP 107 Ca 0.01 -0.02 0.07 0.00 0.71 0.00 0.00 54.79 55.56 2uuz n ASP 107 Cb 0.70 0.51 -0.12 0.00 -0.02 0.00 0.00 41.12 42.20 2uuz n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2uuz n ASP 108 N -2.54 1.54 -4.45 -2.24 10.43 0.99 -4.88 116.55 115.40 2uuz n ASP 108 Ca -0.20 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 56.73 2uuz n ASP 108 Cb 0.83 1.68 -0.05 0.00 1.84 0.00 0.00 41.12 45.43 2uuz n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2uuz s ASP 109 N -3.76 6.22 0.13 -2.24 3.68 -0.12 -4.92 116.67 115.66 2uuz s ASP 109 Ca -0.06 -0.94 -0.19 0.00 2.13 0.00 0.00 52.55 53.49 2uuz s ASP 109 Cb 0.10 -2.36 -0.04 0.00 -1.45 0.00 0.00 42.92 39.16 2uuz s ASP 109 CO 0.63 -1.19 1.77 0.58 0.13 0.00 0.00 175.17 177.09 2uuz h VAL 110 N 5.94 1.00 -0.19 1.11 2.07 -1.90 -1.87 116.25 122.42 2uuz h VAL 110 Ca -0.28 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2uuz h VAL 110 Cb 1.08 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2uuz h VAL 110 CO 1.09 0.05 0.10 -0.08 0.02 0.00 0.00 177.57 178.74 2uuz h GLU 111 N 0.25 0.26 -0.47 1.57 4.81 -1.95 -1.72 114.58 117.34 2uuz h GLU 111 Ca 0.09 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2uuz h GLU 111 Cb 0.02 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.25 2uuz h GLU 111 CO -0.06 0.28 -0.23 0.35 -0.73 0.00 0.00 179.01 178.62 2uuz h PHE 112 N 0.18 -0.58 -0.71 0.92 3.57 -1.81 0.18 116.94 118.70 2uuz h PHE 112 Ca 0.06 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2uuz h PHE 112 Cb 0.10 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2uuz h PHE 112 CO -0.03 -0.31 0.44 1.96 -2.23 0.00 0.00 178.31 178.14 2uuz h GLN 113 N -0.13 0.82 -0.36 1.11 4.20 -1.06 -0.11 115.11 119.58 2uuz h GLN 113 Ca 0.22 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2uuz h GLN 113 Cb 0.47 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2uuz h GLN 113 CO -0.55 0.54 -0.13 0.93 -0.67 0.00 0.00 178.83 178.95 2uuz h GLU 114 N 0.84 0.73 0.00 1.46 5.08 -0.29 0.17 114.58 122.56 2uuz h GLU 114 Ca 0.29 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2uuz h GLU 114 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2uuz h GLU 114 CO -0.12 0.90 -0.25 0.00 -1.00 0.00 0.00 179.01 178.54 2uuz h ARG 115 N 0.52 0.00 -0.10 2.33 3.08 -0.48 0.08 114.38 119.81 2uuz h ARG 115 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2uuz h ARG 115 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2uuz h ARG 115 CO 0.04 0.25 -0.09 1.98 -1.07 0.00 0.00 179.97 181.08 2uuz h MET 116 N 0.00 0.24 -0.33 0.04 4.05 -0.67 -0.93 114.93 117.33 2uuz h MET 116 Ca -0.00 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.24 2uuz h MET 116 Cb 0.69 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 2uuz h MET 116 CO 0.03 0.64 -0.04 0.00 0.23 0.00 0.00 176.91 177.77 2uuz h ALA 117 N 0.60 1.31 0.14 0.39 0.00 -0.52 -1.63 119.26 119.55 2uuz h ALA 117 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2uuz h ALA 117 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2uuz h ALA 117 CO 0.02 0.47 -0.07 0.93 0.00 0.00 0.00 179.25 180.60 2uuz h GLU 118 N 0.51 -0.18 -0.79 0.00 5.08 -0.81 -1.76 114.58 116.63 2uuz h GLU 118 Ca 0.10 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2uuz h GLU 118 Cb 0.39 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2uuz h GLU 118 CO 0.02 0.11 0.45 1.25 -1.00 0.00 0.00 179.01 179.84 2uuz h HIS 119 N -0.46 1.07 -0.80 4.33 2.76 -1.02 -1.01 115.15 120.01 2uuz h HIS 119 Ca -0.02 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2uuz h HIS 119 Cb 0.37 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 2uuz h HIS 119 CO 0.02 0.73 0.51 0.82 -1.30 0.00 0.00 177.93 178.71 2uuz h ILE 120 N 1.09 1.12 -0.29 6.26 2.04 -1.27 0.11 117.51 126.57 2uuz h ILE 120 Ca 0.28 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2uuz h ILE 120 Cb 0.00 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2uuz h ILE 120 CO -0.05 0.18 0.14 -0.09 0.00 0.00 0.00 178.15 178.33 2uuz h ARG 121 N 0.99 0.41 -0.85 2.37 9.65 -0.63 -1.87 114.38 124.45 2uuz h ARG 121 Ca 0.32 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 59.17 2uuz h ARG 121 Cb 0.02 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 2uuz h ARG 121 CO -0.12 0.38 0.55 -0.92 2.80 0.00 0.00 179.97 182.67 2uuz h TYR 122 N 0.33 1.03 -0.11 2.20 3.20 -0.51 -1.07 116.97 122.04 2uuz h TYR 122 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2uuz h TYR 122 Cb 0.11 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2uuz h TYR 122 CO -0.02 0.60 -0.02 0.52 -1.64 0.00 0.00 178.16 177.60 2uuz h MET 123 N 1.07 0.01 -0.01 1.82 2.86 -0.30 -0.85 114.93 119.53 2uuz h MET 123 Ca 0.33 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.85 2uuz h MET 123 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2uuz h MET 123 CO -0.11 0.00 -0.59 -0.39 1.06 0.00 0.00 176.91 176.88 2uuz h VAL 124 N 0.01 1.42 -0.28 -2.22 -1.51 -1.07 -1.35 116.25 111.24 2uuz h VAL 124 Ca 0.05 -2.02 -0.16 0.00 -1.23 0.00 0.00 66.70 63.35 2uuz h VAL 124 Cb 0.08 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2uuz h VAL 124 CO -0.11 0.58 -0.45 -0.33 -1.23 0.00 0.00 177.57 176.03 2uuz h GLU 125 N 0.02 0.73 -0.27 5.19 5.08 -0.99 0.19 114.58 124.54 2uuz h GLU 125 Ca -0.01 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 2uuz h GLU 125 Cb 1.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2uuz h GLU 125 CO 0.08 1.03 -0.26 1.15 -1.00 0.00 0.00 179.01 180.01 2uuz h THR 126 N 0.59 1.31 -0.19 1.13 2.02 -1.04 0.20 112.91 116.93 2uuz h THR 126 Ca 0.04 -1.43 -0.11 0.00 0.77 0.00 0.00 66.41 65.68 2uuz h THR 126 Cb 1.01 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2uuz h THR 126 CO 0.10 0.45 -0.37 0.40 0.37 0.00 0.00 175.52 176.47 2uuz h ILE 127 N 0.38 1.29 -0.46 3.11 2.04 -1.19 -1.91 117.51 120.76 2uuz h ILE 127 Ca 0.04 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 2uuz h ILE 127 Cb 0.83 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2uuz h ILE 127 CO 0.07 0.45 -0.03 0.00 0.00 0.00 0.00 178.15 178.64 2uuz h ALA 128 N 1.27 0.63 -0.63 1.87 0.00 -0.47 -1.10 119.26 120.83 2uuz h ALA 128 Ca 0.04 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2uuz h ALA 128 Cb 0.80 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2uuz h ALA 128 CO 0.06 0.45 0.31 1.25 0.00 0.00 0.00 179.25 181.33 2uuz h HIS 129 N 0.68 0.56 0.00 0.00 -0.00 -0.54 -0.57 115.15 115.28 2uuz h HIS 129 Ca 0.13 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.41 2uuz h HIS 129 Cb 0.55 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 2uuz h HIS 129 CO 0.04 0.23 -0.56 0.45 -0.00 0.00 0.00 177.93 178.09 2uuz h HIS 130 N 0.56 0.00 -0.32 5.26 -0.00 -1.17 -2.87 115.15 116.62 2uuz h HIS 130 Ca 0.30 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.49 2uuz h HIS 130 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.67 2uuz h HIS 130 CO -0.11 0.56 -0.48 0.37 -0.00 0.00 0.00 177.93 178.27 2uuz h GLN 131 N 0.00 0.86 -0.61 2.45 5.75 -0.11 -1.62 115.11 121.83 2uuz h GLN 131 Ca -0.01 -0.51 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 2uuz h GLN 131 Cb 1.03 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 2uuz h GLN 131 CO 0.07 1.15 0.29 0.28 -2.65 0.00 0.00 178.83 177.96 2uuz h VAL 132 N 0.68 1.22 0.10 2.39 2.07 -1.10 0.15 116.25 121.75 2uuz h VAL 132 Ca 0.03 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2uuz h VAL 132 Cb 1.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2uuz h VAL 132 CO 0.11 0.25 -0.28 0.44 0.02 0.00 0.00 177.57 178.11 2uuz h ASP 133 N 0.84 -0.82 -0.24 0.57 3.45 -1.34 0.80 116.42 119.67 2uuz h ASP 133 Ca 0.21 0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.84 2uuz h ASP 133 Cb 0.13 0.32 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2uuz h ASP 133 CO -0.02 -0.37 0.24 0.40 -1.57 0.00 0.00 179.24 177.92 2uuz h ILE 134 N -0.49 0.52 0.00 0.35 2.04 -0.81 0.81 117.51 119.94 2uuz h ILE 134 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2uuz h ILE 134 Cb 0.53 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2uuz h ILE 134 CO -0.18 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.41 2uuz h ASP 135 N 0.00 0.00 0.61 1.72 3.32 0.12 -1.24 116.42 120.95 2uuz h ASP 135 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2uuz h ASP 135 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2uuz h ASP 135 CO -0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 2uuz n SER 136 N -2.42 0.00 -0.02 6.45 7.64 0.28 -3.85 113.62 121.70 2uuz n SER 136 Ca 0.02 0.27 -0.02 0.00 1.01 0.00 0.00 58.87 60.15 2uuz n SER 136 Cb 0.27 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.06 2uuz n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2uuz n GLU 137 N -1.41 0.12 0.00 1.43 1.02 -0.48 -5.14 120.64 116.18 2uuz n GLU 137 Ca 0.08 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2uuz n GLU 137 Cb 0.22 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2uuz n GLU 137 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59