#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yum s SER 2 N 0.00 -0.31 -0.03 1.61 0.15 -1.26 -5.17 113.70 108.69 2yum s SER 2 Ca 0.00 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 2yum s SER 2 Cb 0.00 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2yum s SER 2 CO 0.00 -0.50 0.05 -0.44 1.20 0.00 0.00 173.24 173.55 2yum s SER 3 N -2.28 0.02 0.33 5.45 0.01 -1.26 -5.13 113.70 110.84 2yum s SER 3 Ca 0.05 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.14 2yum s SER 3 Cb -0.01 -0.00 -0.13 0.00 0.21 0.00 0.00 66.02 66.09 2yum s SER 3 CO -0.07 -0.12 1.06 0.61 0.41 0.00 0.00 173.24 175.13 2yum n GLY 4 N 4.03 -0.10 0.09 3.44 0.00 -1.26 -4.95 105.19 106.44 2yum n GLY 4 Ca -0.25 0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2yum n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yum n SER 5 N 0.99 1.85 -3.87 1.61 7.64 -1.26 -4.95 113.62 115.64 2yum n SER 5 Ca 0.08 0.52 -0.24 0.00 1.01 0.00 0.00 58.87 60.25 2yum n SER 5 Cb 0.34 -0.86 -0.17 0.00 -1.01 0.00 0.00 64.21 62.52 2yum n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yum s SER 6 N -6.09 1.64 0.00 6.43 0.15 -1.26 -5.04 113.70 109.53 2yum s SER 6 Ca -0.22 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2yum s SER 6 Cb 0.04 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2yum s SER 6 CO 0.35 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2yum n GLY 7 N 4.70 2.52 3.05 9.45 0.00 -1.26 -5.15 105.19 118.50 2yum n GLY 7 Ca -0.14 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 2yum n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yum s ASN 8 N 0.00 -0.42 -0.30 1.61 2.47 -1.26 -5.00 114.94 112.04 2yum s ASN 8 Ca 0.00 0.56 -0.14 0.00 0.42 0.00 0.00 52.86 53.71 2yum s ASN 8 Cb 0.00 1.55 -0.03 0.00 -1.45 0.00 0.00 41.25 41.31 2yum s ASN 8 CO 0.00 -0.28 0.31 -1.10 -3.72 0.00 0.00 177.10 172.32 2yum s GLN 9 N 2.67 3.84 0.79 0.43 1.11 -1.26 -5.07 119.66 122.17 2yum s GLN 9 Ca 0.14 -0.22 -0.11 0.00 0.01 0.00 0.00 55.36 55.18 2yum s GLN 9 Cb -0.15 -3.71 0.07 0.00 -1.01 0.00 0.00 33.01 28.21 2yum s GLN 9 CO -0.17 -0.33 1.09 -0.51 0.01 0.00 0.00 175.29 175.37 2yum s LEU 10 N 1.96 2.81 0.36 2.90 1.43 -1.26 -5.07 118.68 121.81 2yum s LEU 10 Ca 0.11 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 2yum s LEU 10 Cb -0.16 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 2yum s LEU 10 CO 0.11 -2.06 0.18 0.26 0.23 0.00 0.00 176.35 175.06 2yum s TRP 11 N -2.97 2.71 -0.03 0.29 0.52 -1.26 -5.14 118.94 113.07 2yum s TRP 11 Ca 0.61 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 56.34 2yum s TRP 11 Cb -0.16 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 2yum s TRP 11 CO 0.56 0.26 -0.06 -0.08 0.02 0.00 0.00 176.95 177.65 2yum s THR 12 N -2.44 3.73 0.12 2.01 -1.32 -1.26 -4.94 115.64 111.53 2yum s THR 12 Ca 0.39 -0.64 -0.17 0.00 -1.21 0.00 0.00 61.69 60.07 2yum s THR 12 Cb -0.02 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.40 2yum s THR 12 CO 0.23 0.47 0.99 0.52 -2.21 0.00 0.00 174.62 174.63 2yum n VAL 13 N 1.80 -0.40 -0.13 5.08 0.31 -1.26 -0.20 118.33 123.52 2yum n VAL 13 Ca -0.16 1.54 -0.04 0.00 -0.01 0.00 0.00 64.34 65.67 2yum n VAL 13 Cb 0.53 -1.95 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 2yum n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2yum h GLU 14 N 0.00 -0.01 -0.20 5.55 5.08 -1.99 -0.52 114.58 122.49 2yum h GLU 14 Ca 0.14 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2yum h GLU 14 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2yum h GLU 14 CO -0.62 -0.01 0.06 0.93 -1.00 0.00 0.00 179.01 178.38 2yum h GLU 15 N -0.01 0.15 -0.15 2.33 4.39 -1.23 0.82 114.58 120.88 2yum h GLU 15 Ca 0.05 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2yum h GLU 15 Cb 0.14 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2yum h GLU 15 CO -0.31 0.10 -0.09 1.96 -1.16 0.00 0.00 179.01 179.51 2yum h GLN 16 N 0.15 -0.00 -0.73 2.33 4.20 0.75 1.02 115.11 122.83 2yum h GLN 16 Ca 0.09 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2yum h GLN 16 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2yum h GLN 16 CO -0.10 -0.00 0.26 1.57 -0.67 0.00 0.00 178.83 179.89 2yum h LYS 17 N -0.00 1.11 -0.11 1.46 2.10 -1.13 -1.95 116.57 118.05 2yum h LYS 17 Ca 0.02 -0.21 0.03 0.00 -2.00 0.00 0.00 60.65 58.49 2yum h LYS 17 Cb 0.06 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.22 2yum h LYS 17 CO -0.14 0.93 0.10 -0.22 -2.00 0.00 0.00 179.45 178.11 2yum h LYS 18 N 1.08 0.00 0.00 0.07 3.11 0.92 -2.70 116.57 119.05 2yum h LYS 18 Ca 0.24 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.02 2yum h LYS 18 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2yum h LYS 18 CO -0.01 0.00 -0.34 1.25 -2.81 0.00 0.00 179.45 177.54 2yum h LEU 19 N 0.00 0.00 -0.99 5.20 5.85 0.17 -3.24 115.31 122.30 2yum h LEU 19 Ca 0.05 -0.71 0.35 0.00 0.84 0.00 0.00 57.88 58.41 2yum h LEU 19 Cb 0.25 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.11 2yum h LEU 19 CO -0.00 1.05 0.35 -0.33 -0.34 0.00 0.00 178.44 179.17 2yum h GLU 20 N -1.00 0.04 0.27 1.25 5.08 -1.07 0.29 114.58 119.45 2yum h GLU 20 Ca -0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2yum h GLU 20 Cb 0.93 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2yum h GLU 20 CO -0.05 0.03 -0.13 1.96 -1.00 0.00 0.00 179.01 179.82 2yum h GLN 21 N 0.05 -0.35 -0.38 2.33 7.50 -1.65 -3.23 115.11 119.37 2yum h GLN 21 Ca 0.74 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.98 2yum h GLN 21 Cb 1.78 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 29.33 2yum h GLN 21 CO -0.80 -0.03 0.02 -0.07 -1.50 0.00 0.00 178.83 176.45 2yum h LEU 22 N -0.70 -0.12 -1.00 1.46 3.38 -0.64 -1.95 115.31 115.74 2yum h LEU 22 Ca -0.04 0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.26 2yum h LEU 22 Cb 0.48 0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.19 2yum h LEU 22 CO 0.06 -0.02 -0.07 0.18 0.09 0.00 0.00 178.44 178.67 2yum n LEU 23 N -5.17 -0.20 -0.05 1.67 4.77 0.68 0.05 117.00 118.75 2yum n LEU 23 Ca 0.02 1.70 -0.13 0.00 -0.03 0.00 0.00 56.01 57.57 2yum n LEU 23 Cb 0.20 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2yum n LEU 23 CO 0.21 -1.69 0.61 0.40 -1.33 0.00 0.00 177.39 175.58 2yum h ILE 24 N 0.00 1.36 -0.42 -0.08 2.04 -1.40 -3.25 117.51 115.75 2yum h ILE 24 Ca 0.56 -1.28 0.09 0.00 1.00 0.00 0.00 64.86 65.23 2yum h ILE 24 Cb 1.06 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.99 2yum h ILE 24 CO -0.97 0.37 -0.14 0.50 0.00 0.00 0.00 178.15 177.91 2yum h LYS 25 N -0.11 -0.04 -5.22 2.37 3.11 0.16 -3.35 116.57 113.50 2yum h LYS 25 Ca 0.02 0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 57.20 2yum h LYS 25 Cb 0.64 0.01 -0.16 0.00 -1.00 0.00 0.00 32.23 31.72 2yum h LYS 25 CO 0.03 -0.03 0.14 0.71 -2.81 0.00 0.00 179.45 177.49 2yum s TYR 26 N -6.20 3.02 0.78 1.91 2.02 0.35 -5.05 117.35 114.18 2yum s TYR 26 Ca -0.14 -0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 2yum s TYR 26 Cb 0.15 -3.54 0.06 0.00 -0.40 0.00 0.00 41.96 38.23 2yum s TYR 26 CO 0.71 -1.02 1.09 -1.25 -1.57 0.00 0.00 175.55 173.51 2yum s PRO 27 N 2.87 2.17 0.60 -1.71 0.04 -1.26 -4.78 135.00 132.93 2yum s PRO 27 Ca 0.19 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 2yum s PRO 27 Cb -0.17 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2yum s PRO 27 CO 0.15 -1.70 1.12 -1.25 0.04 0.00 0.00 177.00 175.36 2yum s PRO 28 N -4.91 3.10 0.04 0.56 0.04 -1.26 -4.92 135.00 127.66 2yum s PRO 28 Ca 0.61 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 2yum s PRO 28 Cb -0.17 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2yum s PRO 28 CO 0.56 -1.03 0.12 -1.83 0.04 0.00 0.00 177.00 174.86 2yum s GLU 29 N -3.66 0.63 0.20 4.56 -1.05 -1.26 -5.04 118.70 113.09 2yum s GLU 29 Ca 0.70 -0.75 -0.06 0.00 -0.15 0.00 0.00 54.97 54.71 2yum s GLU 29 Cb -0.22 0.25 0.32 0.00 -0.44 0.00 0.00 34.13 34.04 2yum s GLU 29 CO 0.34 -0.17 1.12 -1.91 0.95 0.00 0.00 175.26 175.59 2yum n GLU 30 N 0.67 -0.07 -3.34 -4.83 0.00 -1.26 -2.75 120.64 109.05 2yum n GLU 30 Ca -0.18 1.12 -0.46 0.00 0.00 0.00 0.00 57.16 57.64 2yum n GLU 30 Cb 0.59 -1.68 -0.04 0.00 0.00 0.00 0.00 31.44 30.31 2yum n GLU 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2yum s VAL 31 N -5.89 5.35 0.37 6.31 1.01 -1.26 -4.91 120.40 121.37 2yum s VAL 31 Ca -0.11 -2.07 0.14 0.00 0.00 0.00 0.00 61.98 59.94 2yum s VAL 31 Cb 0.19 -4.36 0.36 0.00 0.00 0.00 0.00 36.38 32.57 2yum s VAL 31 CO 0.56 -0.95 1.79 1.05 0.00 0.00 0.00 175.10 177.55 2yum h GLU 32 N 8.23 0.50 -0.69 2.72 4.11 -1.95 -1.60 114.58 125.89 2yum h GLU 32 Ca -0.07 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.45 2yum h GLU 32 Cb 1.06 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.08 2yum h GLU 32 CO 0.87 0.33 -0.35 1.03 0.07 0.00 0.00 179.01 180.96 2yum h SER 33 N 0.51 -1.23 -0.68 3.06 0.87 -1.91 0.20 113.55 114.38 2yum h SER 33 Ca 0.57 0.25 0.11 0.00 -1.23 0.00 0.00 61.79 61.49 2yum h SER 33 Cb 1.24 0.62 -0.08 0.00 -0.44 0.00 0.00 62.40 63.74 2yum h SER 33 CO -0.30 -0.30 0.26 0.03 -0.53 0.00 0.00 176.83 175.99 2yum h ARG 34 N -0.12 0.42 0.57 2.24 3.08 -1.68 -1.21 114.38 117.67 2yum h ARG 34 Ca 0.26 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 2yum h ARG 34 Cb 0.56 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2yum h ARG 34 CO -0.75 0.28 -0.48 -0.09 -1.07 0.00 0.00 179.97 177.86 2yum h ARG 35 N 0.43 -0.98 -0.99 0.04 2.43 -0.69 -1.57 114.38 113.05 2yum h ARG 35 Ca 0.35 0.07 0.22 0.00 -0.81 0.00 0.00 59.98 59.81 2yum h ARG 35 Cb 0.48 0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 2yum h ARG 35 CO -0.35 -0.65 0.63 -1.49 -1.51 0.00 0.00 179.97 176.59 2yum h TRP 36 N -1.02 0.79 -0.45 2.20 -0.00 -0.92 0.37 115.95 116.92 2yum h TRP 36 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2yum h TRP 36 Cb 0.86 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 29.76 2yum h TRP 36 CO -0.19 0.15 0.25 0.37 -0.00 0.00 0.00 178.44 179.02 2yum h GLN 37 N 0.54 0.63 -0.25 0.49 5.75 -0.63 0.17 115.11 121.81 2yum h GLN 37 Ca 0.56 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 2yum h GLN 37 Cb 1.18 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2yum h GLN 37 CO -0.30 0.49 0.16 0.87 -2.65 0.00 0.00 178.83 177.41 2yum h LYS 38 N 0.60 0.33 0.18 1.69 1.57 0.03 -2.62 116.57 118.34 2yum h LYS 38 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2yum h LYS 38 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2yum h LYS 38 CO -0.03 0.22 -0.09 0.82 -0.57 0.00 0.00 179.45 179.81 2yum h ILE 39 N 0.33 0.92 -0.94 1.86 2.04 -1.22 -3.07 117.51 117.43 2yum h ILE 39 Ca 0.09 -0.53 0.29 0.00 1.00 0.00 0.00 64.86 65.71 2yum h ILE 39 Cb -0.03 1.24 -0.16 0.00 -0.74 0.00 0.00 36.82 37.12 2yum h ILE 39 CO -0.02 0.12 0.27 0.00 0.00 0.00 0.00 178.15 178.52 2yum h ALA 40 N 0.25 1.49 -0.27 1.87 0.00 -0.60 0.28 119.26 122.28 2yum h ALA 40 Ca -0.02 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2yum h ALA 40 Cb 0.39 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2yum h ALA 40 CO 0.04 -0.60 -0.11 0.22 0.00 0.00 0.00 179.25 178.81 2yum h ASP 41 N 0.13 -0.37 -0.11 0.00 1.82 -1.37 0.12 116.42 116.64 2yum h ASP 41 Ca 0.64 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 57.37 2yum h ASP 41 Cb 1.41 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 2yum h ASP 41 CO -0.74 -0.14 0.07 -0.33 -1.61 0.00 0.00 179.24 176.49 2yum h GLU 42 N -0.06 0.16 -0.58 0.28 4.39 -0.52 -2.86 114.58 115.39 2yum h GLU 42 Ca 0.14 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.89 2yum h GLU 42 Cb 0.27 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 2yum h GLU 42 CO -0.31 0.15 0.27 -0.07 -1.16 0.00 0.00 179.01 177.89 2yum h LEU 43 N 0.12 0.36 0.00 1.33 3.38 -0.82 -3.45 115.31 116.22 2yum h LEU 43 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2yum h LEU 43 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2yum h LEU 43 CO -0.01 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.36 2yum n GLY 44 N -1.27 1.31 0.12 0.83 0.00 0.37 -4.47 105.19 102.08 2yum n GLY 44 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2yum n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yum h ASN 45 N 0.00 0.37 -3.42 1.61 4.21 -1.88 -3.45 115.58 113.02 2yum h ASN 45 Ca 0.00 -0.66 -0.53 0.00 1.21 0.00 0.00 56.30 56.32 2yum h ASN 45 Cb 0.00 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 2yum h ASN 45 CO 0.00 0.97 -0.10 -0.13 -1.29 0.00 0.00 177.43 176.88 2yum s ARG 46 N -3.60 3.78 0.31 0.81 1.81 -1.26 -5.10 118.95 115.70 2yum s ARG 46 Ca -0.14 0.25 0.08 0.00 -1.72 0.00 0.00 55.73 54.19 2yum s ARG 46 Cb 0.03 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 2yum s ARG 46 CO 0.77 0.27 0.23 -0.08 -0.68 0.00 0.00 175.30 175.81 2yum s THR 47 N -1.90 3.67 0.25 0.02 -1.32 -1.26 -4.64 115.64 110.46 2yum s THR 47 Ca 0.47 -1.45 -0.06 0.00 -1.21 0.00 0.00 61.69 59.44 2yum s THR 47 Cb -0.11 -3.19 0.40 0.00 -1.51 0.00 0.00 72.50 68.09 2yum s THR 47 CO 0.23 -0.23 1.38 0.00 -2.21 0.00 0.00 174.62 173.80 2yum n ALA 48 N -1.27 0.24 0.01 11.08 0.00 -1.26 -1.33 120.51 127.98 2yum n ALA 48 Ca -0.04 0.97 -0.01 0.00 0.00 0.00 0.00 53.44 54.36 2yum n ALA 48 Cb 0.59 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2yum n ALA 48 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2yum h LYS 49 N 0.00 -0.05 -1.00 0.00 1.79 -1.95 0.89 116.57 116.26 2yum h LYS 49 Ca 0.44 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.32 2yum h LYS 49 Cb 0.69 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.18 2yum h LYS 49 CO -0.90 -0.03 0.54 1.96 -1.08 0.00 0.00 179.45 179.93 2yum h GLN 50 N -0.05 0.03 -0.49 3.15 1.08 -1.60 1.35 115.11 118.58 2yum h GLN 50 Ca -0.00 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2yum h GLN 50 Cb 0.05 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2yum h GLN 50 CO -0.01 0.02 -0.19 0.28 -0.95 0.00 0.00 178.83 177.98 2yum h VAL 51 N 0.03 1.27 0.65 -0.54 2.07 -0.66 -1.27 116.25 117.80 2yum h VAL 51 Ca 0.84 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2yum h VAL 51 Cb 2.19 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2yum h VAL 51 CO -0.76 0.47 -0.39 0.00 0.02 0.00 0.00 177.57 176.92 2yum h ALA 52 N 0.91 -0.99 -0.74 1.67 0.00 0.43 0.10 119.26 120.64 2yum h ALA 52 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2yum h ALA 52 Cb 0.77 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2yum h ALA 52 CO 0.06 -1.07 0.38 0.77 0.00 0.00 0.00 179.25 179.39 2yum h SER 53 N -0.97 0.93 -0.23 0.00 0.02 -1.43 -2.67 113.55 109.20 2yum h SER 53 Ca -0.08 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2yum h SER 53 Cb 0.78 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2yum h SER 53 CO 0.09 0.77 0.12 -0.61 -1.14 0.00 0.00 176.83 176.07 2yum h GLN 54 N 1.04 0.32 -0.71 3.45 5.75 -1.00 -2.54 115.11 121.41 2yum h GLN 54 Ca 0.26 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.79 2yum h GLN 54 Cb 0.07 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 2yum h GLN 54 CO -0.04 0.30 0.47 0.28 -2.65 0.00 0.00 178.83 177.19 2yum h VAL 55 N 0.25 0.98 0.03 2.39 2.07 -0.51 -2.25 116.25 119.22 2yum h VAL 55 Ca 0.08 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2yum h VAL 55 Cb 0.08 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2yum h VAL 55 CO -0.01 0.13 -0.08 1.56 0.02 0.00 0.00 177.57 179.18 2yum h GLN 56 N 0.69 -0.15 -0.02 1.57 4.20 -1.13 -0.65 115.11 119.63 2yum h GLN 56 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2yum h GLN 56 Cb 0.34 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2yum h GLN 56 CO -0.11 -0.10 0.00 1.63 -0.67 0.00 0.00 178.83 179.58 2yum n LYS 57 N -5.20 0.93 -0.08 1.46 5.02 -0.89 -0.65 118.16 118.75 2yum n LYS 57 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 2yum n LYS 57 Cb 0.12 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 2yum n LYS 57 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2yum n TYR 58 N -0.49 0.00 -0.06 2.13 4.02 -0.33 -4.27 117.16 118.16 2yum n TYR 58 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 2yum n TYR 58 Cb 0.00 -0.74 -0.06 0.00 -0.02 0.00 0.00 39.34 38.52 2yum n TYR 58 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2yum n PHE 59 N -2.68 0.00 0.18 -0.72 3.01 -0.73 -4.44 117.46 112.07 2yum n PHE 59 Ca -0.27 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.21 2yum n PHE 59 Cb 0.96 -0.47 0.32 0.00 -0.01 0.00 0.00 39.48 40.27 2yum n PHE 59 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2yum h ILE 60 N 0.00 1.27 -0.22 4.37 2.04 -1.09 -2.86 117.51 121.02 2yum h ILE 60 Ca -0.27 -1.48 -0.12 0.00 1.00 0.00 0.00 64.86 63.99 2yum h ILE 60 Cb 1.45 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2yum h ILE 60 CO -0.04 0.42 -0.36 0.50 0.00 0.00 0.00 178.15 178.68 2yum h LYS 61 N 0.00 0.47 -1.20 2.37 3.64 -1.74 -2.86 116.57 117.25 2yum h LYS 61 Ca -0.00 -0.22 -0.23 0.00 -1.27 0.00 0.00 60.65 58.92 2yum h LYS 61 Cb 0.77 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.46 2yum h LYS 61 CO 0.06 0.77 0.30 1.47 -2.27 0.00 0.00 179.45 179.77 2yum n LEU 62 N -4.06 5.13 -4.93 5.20 -0.00 -1.08 -4.92 117.00 112.35 2yum n LEU 62 Ca -0.01 -2.64 -0.25 0.00 -0.00 0.00 0.00 56.01 53.11 2yum n LEU 62 Cb 0.47 -0.78 0.05 0.00 -0.00 0.00 0.00 43.42 43.16 2yum n LEU 62 CO 0.43 0.88 0.53 0.28 -0.00 0.00 0.00 177.39 179.51 2yum s THR 63 N -1.56 2.90 1.00 1.47 -1.32 -1.08 -5.03 115.64 112.01 2yum s THR 63 Ca 0.24 -0.26 -0.18 0.00 -1.21 0.00 0.00 61.69 60.28 2yum s THR 63 Cb 0.20 -3.18 -0.13 0.00 -1.51 0.00 0.00 72.50 67.89 2yum s THR 63 CO 0.03 -0.17 -0.73 0.29 -2.21 0.00 0.00 174.62 171.82 2yum n LYS 64 N -2.66 -0.08 -1.12 7.08 5.02 -1.26 -4.80 118.16 120.34 2yum n LYS 64 Ca 0.06 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 2yum n LYS 64 Cb 0.59 -1.13 0.04 0.00 -0.02 0.00 0.00 35.03 34.52 2yum n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yum n ALA 65 N -2.82 -3.56 0.00 7.82 0.00 -1.26 -4.61 120.51 116.09 2yum n ALA 65 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2yum n ALA 65 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2yum n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yum n GLY 66 N 2.58 0.92 3.35 0.00 0.00 -1.26 -5.14 105.19 105.65 2yum n GLY 66 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2yum n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yum s ILE 67 N -1.28 2.44 0.76 -0.61 -1.09 -1.26 -5.13 121.20 115.03 2yum s ILE 67 Ca 0.00 -0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 57.36 2yum s ILE 67 Cb 0.00 -1.91 0.05 0.00 -1.58 0.00 0.00 42.46 39.02 2yum s ILE 67 CO 0.00 0.58 1.09 -2.16 -1.23 0.00 0.00 174.94 173.22 2yum s PRO 68 N -0.44 2.32 0.02 2.79 0.04 -1.26 -5.02 135.00 133.45 2yum s PRO 68 Ca 0.05 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 2yum s PRO 68 Cb -0.12 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2yum s PRO 68 CO 0.01 -1.60 -0.09 0.28 0.04 0.00 0.00 177.00 175.65 2yum n VAL 69 N -3.38 1.24 -4.34 -0.36 0.31 -1.26 -5.01 118.33 105.53 2yum n VAL 69 Ca 0.09 0.33 -0.34 0.00 -0.01 0.00 0.00 64.34 64.41 2yum n VAL 69 Cb 0.53 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.61 2yum n VAL 69 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2yum n SER 70 N -3.69 0.16 -3.62 4.52 2.88 -1.26 -4.88 113.62 107.74 2yum n SER 70 Ca -0.04 -1.25 -0.07 0.00 -1.33 0.00 0.00 58.87 56.19 2yum n SER 70 Cb 0.13 -1.56 -0.06 0.00 -0.75 0.00 0.00 64.21 61.97 2yum n SER 70 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yum s GLY 71 N -4.03 -0.03 0.72 0.46 0.00 -1.26 -5.17 107.32 98.00 2yum s GLY 71 Ca 0.23 2.68 -0.13 0.00 0.00 0.00 0.00 44.72 47.51 2yum s GLY 71 CO 0.99 1.47 1.10 2.56 0.00 0.00 0.00 173.10 179.22 2yum s PRO 72 N -0.47 2.50 0.30 2.90 0.04 -1.26 -5.06 135.00 133.95 2yum s PRO 72 Ca 0.04 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.42 2yum s PRO 72 Cb -0.03 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2yum s PRO 72 CO -0.06 -1.47 0.19 0.45 0.04 0.00 0.00 177.00 176.16 2yum s SER 73 N -3.02 5.15 0.19 6.66 0.15 -1.26 -5.06 113.70 116.51 2yum s SER 73 Ca 0.64 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2yum s SER 73 Cb -0.19 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2yum s SER 73 CO 0.49 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.54 2yum n SER 74 N -1.21 0.44 0.00 5.45 7.64 -1.26 -5.33 113.62 119.35 2yum n SER 74 Ca -0.05 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2yum n SER 74 Cb 0.59 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 2yum n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64