#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 4.67 0.19 1.61 1.04 -1.26 -4.50 113.70 115.45 2yum s SER 2 Ca 0.00 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2yum s SER 2 Cb 0.00 -1.76 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 2yum s SER 2 CO 0.00 -0.15 0.13 -0.55 0.98 0.00 0.00 173.24 173.65 2yum s SER 3 N 1.41 0.17 0.54 7.02 0.15 -1.26 -4.99 113.70 116.73 2yum s SER 3 Ca 0.01 -1.33 -0.13 0.00 0.70 0.00 0.00 55.95 55.20 2yum s SER 3 Cb -0.17 0.37 -0.06 0.00 -1.71 0.00 0.00 66.02 64.45 2yum s SER 3 CO -0.01 -0.83 0.96 -0.83 1.20 0.00 0.00 173.24 173.73 2yum s GLY 4 N -3.13 1.87 -0.04 9.45 0.00 -1.26 -4.23 107.32 109.98 2yum s GLY 4 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2yum s GLY 4 CO 0.10 0.25 -0.03 -1.35 0.00 0.00 0.00 173.10 172.06 2yum s SER 5 N -3.55 0.73 -0.08 1.64 1.04 -1.26 -5.06 113.70 107.16 2yum s SER 5 Ca 0.56 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 2yum s SER 5 Cb -0.10 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 65.71 2yum s SER 5 CO 0.40 -0.06 0.07 -0.55 0.98 0.00 0.00 173.24 174.08 2yum s SER 6 N 0.86 1.51 0.30 7.02 0.15 -1.26 -5.15 113.70 117.13 2yum s SER 6 Ca -0.10 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.44 2yum s SER 6 Cb -0.13 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 63.95 2yum s SER 6 CO -0.00 -0.28 0.11 -0.83 1.20 0.00 0.00 173.24 173.44 2yum s GLY 7 N 2.15 1.99 0.08 9.45 0.00 -1.26 -5.16 107.32 114.57 2yum s GLY 7 Ca 0.04 -1.80 0.09 0.00 0.00 0.00 0.00 44.72 43.05 2yum s GLY 7 CO -0.05 -1.66 -0.22 -1.31 0.00 0.00 0.00 173.10 169.86 2yum s ASN 8 N -3.40 3.56 -1.30 1.64 0.02 -1.26 -4.70 114.94 109.50 2yum s ASN 8 Ca 0.35 -0.57 -0.04 0.00 -1.02 0.00 0.00 52.86 51.58 2yum s ASN 8 Cb 0.07 -0.43 0.01 0.00 0.02 0.00 0.00 41.25 40.92 2yum s ASN 8 CO 0.15 0.22 0.97 0.00 0.02 0.00 0.00 177.10 178.46 2yum n GLN 9 N 1.26 -6.42 -1.05 -0.60 3.00 -1.26 -4.95 117.38 107.35 2yum n GLN 9 Ca -0.17 0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 2yum n GLN 9 Cb 0.52 -5.67 0.13 0.00 0.00 0.00 0.00 30.24 25.22 2yum n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yum s LEU 10 N -6.78 3.03 0.50 1.08 2.01 -1.26 -4.95 118.68 112.31 2yum s LEU 10 Ca 0.22 2.14 -0.23 0.00 0.01 0.00 0.00 54.13 56.27 2yum s LEU 10 Cb -0.10 -4.56 -0.06 0.00 0.01 0.00 0.00 46.19 41.47 2yum s LEU 10 CO 0.76 -2.59 1.30 0.26 1.01 0.00 0.00 176.35 177.09 2yum s TRP 11 N -2.53 2.53 0.02 0.29 0.52 -1.26 -5.03 118.94 113.49 2yum s TRP 11 Ca 0.67 1.42 0.04 0.00 0.02 0.00 0.00 56.10 58.26 2yum s TRP 11 Cb -0.23 -3.66 -0.03 0.00 -1.15 0.00 0.00 33.47 28.39 2yum s TRP 11 CO 0.54 -2.39 -0.09 -0.08 0.02 0.00 0.00 176.95 174.95 2yum s THR 12 N -1.37 3.49 0.35 2.01 -1.32 -1.26 -4.93 115.64 112.61 2yum s THR 12 Ca 0.67 -0.90 0.25 0.00 -1.21 0.00 0.00 61.69 60.49 2yum s THR 12 Cb -0.37 -2.53 0.39 0.00 -1.51 0.00 0.00 72.50 68.48 2yum s THR 12 CO 0.44 0.34 1.31 0.55 -2.21 0.00 0.00 174.62 175.06 2yum n VAL 13 N 1.43 -0.25 -0.14 5.08 3.14 -1.26 0.18 118.33 126.51 2yum n VAL 13 Ca -0.15 1.56 -0.06 0.00 -2.96 0.00 0.00 64.34 62.74 2yum n VAL 13 Cb 0.52 -2.55 0.03 0.00 -1.06 0.00 0.00 33.84 30.78 2yum n VAL 13 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2yum h GLU 14 N 0.00 0.40 0.21 1.45 4.39 -2.00 -1.07 114.58 117.97 2yum h GLU 14 Ca 0.73 -0.02 -0.32 0.00 0.34 0.00 0.00 59.36 60.09 2yum h GLU 14 Cb 2.25 -0.09 0.03 0.00 -0.10 0.00 0.00 28.75 30.84 2yum h GLU 14 CO -0.46 0.26 -1.44 0.93 -1.16 0.00 0.00 179.01 177.14 2yum h GLU 15 N 0.41 0.45 -0.68 2.33 4.39 0.15 -2.32 114.58 119.30 2yum h GLU 15 Ca 0.19 -0.76 0.11 0.00 0.34 0.00 0.00 59.36 59.23 2yum h GLU 15 Cb 0.11 0.28 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 2yum h GLU 15 CO -0.15 1.36 0.30 1.96 -1.16 0.00 0.00 179.01 181.32 2yum h GLN 16 N 0.12 0.48 0.04 2.33 4.20 -0.63 0.30 115.11 121.95 2yum h GLN 16 Ca -0.23 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 2yum h GLN 16 Cb 2.11 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 29.79 2yum h GLN 16 CO 0.25 0.32 -0.34 1.57 -0.67 0.00 0.00 178.83 179.95 2yum h LYS 17 N 0.49 0.16 0.29 1.46 2.10 -1.30 -3.18 116.57 116.59 2yum h LYS 17 Ca 0.35 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2yum h LYS 17 Cb 0.43 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.81 2yum h LYS 17 CO -0.31 1.05 -0.46 -0.22 -2.00 0.00 0.00 179.45 177.50 2yum h LYS 18 N -0.62 -0.78 -0.52 0.07 3.64 -1.12 -2.70 116.57 114.54 2yum h LYS 18 Ca -0.05 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2yum h LYS 18 Cb 1.20 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 33.09 2yum h LYS 18 CO 0.06 -0.52 -0.31 1.25 -2.27 0.00 0.00 179.45 177.66 2yum h LEU 19 N -0.81 -1.07 -0.97 5.20 5.85 -0.57 0.73 115.31 123.66 2yum h LEU 19 Ca -0.02 0.21 0.30 0.00 0.84 0.00 0.00 57.88 59.21 2yum h LEU 19 Cb 0.76 0.53 -0.18 0.00 0.37 0.00 0.00 40.66 42.15 2yum h LEU 19 CO -0.17 -0.30 0.20 -0.33 -0.34 0.00 0.00 178.44 177.50 2yum h GLU 20 N -0.18 0.04 -0.36 1.25 5.08 -1.46 0.75 114.58 119.70 2yum h GLU 20 Ca 0.21 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2yum h GLU 20 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2yum h GLU 20 CO -0.62 0.03 -0.05 1.96 -1.00 0.00 0.00 179.01 179.33 2yum h GLN 21 N 0.05 0.67 0.46 2.33 1.08 -0.70 -3.17 115.11 115.84 2yum h GLN 21 Ca 0.66 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.59 2yum h GLN 21 Cb 1.47 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2yum h GLN 21 CO -0.84 0.81 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.56 2yum h LEU 22 N 0.48 -0.53 -0.92 1.46 3.38 0.90 -1.46 115.31 118.63 2yum h LEU 22 Ca 0.10 -0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.25 2yum h LEU 22 Cb 0.54 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.26 2yum h LEU 22 CO 0.03 -0.27 -0.04 0.18 0.09 0.00 0.00 178.44 178.43 2yum n LEU 23 N -5.30 -0.16 -0.02 1.67 4.77 0.90 -0.01 117.00 118.86 2yum n LEU 23 Ca -0.11 1.56 -0.13 0.00 -0.03 0.00 0.00 56.01 57.30 2yum n LEU 23 Cb 0.29 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 2yum n LEU 23 CO 0.34 -1.56 0.60 0.40 -1.33 0.00 0.00 177.39 175.84 2yum h ILE 24 N 0.00 1.44 -0.83 -0.08 2.04 -1.50 -3.24 117.51 115.34 2yum h ILE 24 Ca 0.53 -1.31 0.18 0.00 1.00 0.00 0.00 64.86 65.26 2yum h ILE 24 Cb 1.04 2.32 -0.11 0.00 -0.74 0.00 0.00 36.82 39.33 2yum h ILE 24 CO -0.88 0.34 0.34 0.50 0.00 0.00 0.00 178.15 178.45 2yum h LYS 25 N -0.54 0.41 -4.12 2.37 3.64 0.69 -3.31 116.57 115.71 2yum h LYS 25 Ca 0.00 -0.02 -0.76 0.00 -1.27 0.00 0.00 60.65 58.60 2yum h LYS 25 Cb 0.56 -0.09 -0.24 0.00 -0.41 0.00 0.00 32.23 32.05 2yum h LYS 25 CO 0.00 0.27 -0.23 0.71 -2.27 0.00 0.00 179.45 177.93 2yum s TYR 26 N -5.96 3.25 0.94 1.91 2.02 0.69 -5.07 117.35 115.14 2yum s TYR 26 Ca -0.12 -1.26 -0.12 0.00 -0.37 0.00 0.00 57.07 55.20 2yum s TYR 26 Cb 0.23 -3.73 0.16 0.00 -0.40 0.00 0.00 41.96 38.22 2yum s TYR 26 CO 0.77 -1.00 1.09 -1.25 -1.57 0.00 0.00 175.55 173.60 2yum s PRO 27 N 1.60 0.87 0.01 -1.71 0.04 -1.25 -4.77 135.00 129.79 2yum s PRO 27 Ca 0.03 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 2yum s PRO 27 Cb -0.29 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2yum s PRO 27 CO 0.03 -2.47 1.44 -1.25 0.04 0.00 0.00 177.00 174.79 2yum s PRO 28 N -4.95 4.27 0.27 0.56 0.04 -1.26 -5.02 135.00 128.91 2yum s PRO 28 Ca 0.64 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.82 2yum s PRO 28 Cb -0.18 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2yum s PRO 28 CO 0.57 -0.61 -0.20 -1.83 0.04 0.00 0.00 177.00 174.97 2yum s GLU 29 N 2.49 1.67 0.20 4.56 -1.05 -1.26 -5.02 118.70 120.28 2yum s GLU 29 Ca 0.65 -1.75 -0.06 0.00 -0.15 0.00 0.00 54.97 53.66 2yum s GLU 29 Cb -0.32 -1.78 0.32 0.00 -0.44 0.00 0.00 34.13 31.91 2yum s GLU 29 CO 0.27 0.34 1.12 -0.85 0.95 0.00 0.00 175.26 177.08 2yum n GLU 30 N -0.55 -0.07 -3.41 -4.83 0.28 -1.26 -4.06 120.64 106.74 2yum n GLU 30 Ca -0.06 1.12 -0.38 0.00 -0.16 0.00 0.00 57.16 57.68 2yum n GLU 30 Cb 0.60 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 2yum n GLU 30 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2yum s VAL 31 N -5.89 5.09 -0.10 3.84 1.01 -1.26 -4.98 120.40 118.11 2yum s VAL 31 Ca -0.11 0.89 0.10 0.00 0.00 0.00 0.00 61.98 62.86 2yum s VAL 31 Cb 0.19 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.57 2yum s VAL 31 CO 0.56 0.46 0.44 1.21 0.00 0.00 0.00 175.10 177.77 2yum n GLU 32 N 2.68 0.67 0.28 2.72 2.13 -1.26 -3.99 120.64 123.87 2yum n GLU 32 Ca -0.11 0.22 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 2yum n GLU 32 Cb 0.52 -1.71 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 2yum n GLU 32 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2yum h SER 33 N 0.01 -0.81 -1.00 4.31 0.87 -1.94 -2.52 113.55 112.47 2yum h SER 33 Ca -0.38 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 60.45 2yum h SER 33 Cb 2.06 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 64.14 2yum h SER 33 CO 0.06 -0.49 0.60 0.08 -0.53 0.00 0.00 176.83 176.55 2yum h ARG 34 N -0.79 0.62 -0.83 2.24 0.11 -2.00 0.17 114.38 113.91 2yum h ARG 34 Ca -0.07 -0.04 0.11 0.00 0.10 0.00 0.00 59.98 60.08 2yum h ARG 34 Cb 0.63 -0.14 -0.08 0.00 1.11 0.00 0.00 29.97 31.49 2yum h ARG 34 CO 0.07 0.41 0.46 -0.09 0.10 0.00 0.00 179.97 180.92 2yum h ARG 35 N 0.64 0.73 -0.05 0.08 2.43 -1.62 -1.30 114.38 115.29 2yum h ARG 35 Ca 0.63 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.55 2yum h ARG 35 Cb 1.13 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2yum h ARG 35 CO -0.45 0.48 -0.83 -1.49 -1.51 0.00 0.00 179.97 176.17 2yum h TRP 36 N 0.75 0.62 -0.85 2.20 -0.00 -0.29 -3.06 115.95 115.32 2yum h TRP 36 Ca 0.41 -0.30 0.05 0.00 -0.00 0.00 0.00 58.89 59.05 2yum h TRP 36 Cb 0.43 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.45 2yum h TRP 36 CO -0.07 1.10 0.56 0.37 -0.00 0.00 0.00 178.44 180.39 2yum h GLN 37 N 0.28 0.96 0.47 0.49 5.75 -0.14 -1.27 115.11 121.64 2yum h GLN 37 Ca -0.06 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2yum h GLN 37 Cb 1.44 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.78 2yum h GLN 37 CO 0.15 0.63 -0.22 0.87 -2.65 0.00 0.00 178.83 177.60 2yum h LYS 38 N 0.99 -0.60 -0.77 1.69 1.57 -1.32 -1.36 116.57 116.77 2yum h LYS 38 Ca 0.36 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.35 2yum h LYS 38 Cb 0.15 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 32.46 2yum h LYS 38 CO -0.12 -0.40 -0.02 0.82 -0.57 0.00 0.00 179.45 179.16 2yum h ILE 39 N -1.02 0.30 0.07 1.86 2.04 -1.44 0.23 117.51 119.55 2yum h ILE 39 Ca -0.06 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2yum h ILE 39 Cb 0.48 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2yum h ILE 39 CO 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 178.24 2yum h ALA 40 N 1.73 -0.85 -1.28 1.87 0.00 -1.30 -2.32 119.26 117.12 2yum h ALA 40 Ca 0.42 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.68 2yum h ALA 40 Cb 0.74 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2yum h ALA 40 CO -0.70 -0.85 1.07 -0.44 0.00 0.00 0.00 179.25 178.34 2yum h ASP 41 N -0.11 0.00 -0.24 0.00 3.32 -0.95 0.96 116.42 119.40 2yum h ASP 41 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 2yum h ASP 41 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2yum h ASP 41 CO 0.02 0.00 -0.47 -0.33 -1.72 0.00 0.00 179.24 176.74 2yum h GLU 42 N 0.00 0.75 0.64 3.56 4.39 -0.37 -3.31 114.58 120.24 2yum h GLU 42 Ca 0.61 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2yum h GLU 42 Cb 2.75 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 31.46 2yum h GLU 42 CO -0.01 1.11 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.57 2yum h LEU 43 N 0.49 -0.73 0.00 1.33 3.38 0.15 -3.48 115.31 116.45 2yum h LEU 43 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yum h LEU 43 Cb 1.08 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2yum h LEU 43 CO 0.11 -0.44 0.00 0.61 0.09 0.00 0.00 178.44 178.80 2yum n GLY 44 N -1.10 0.92 0.51 0.83 0.00 -1.01 -4.90 105.19 100.45 2yum n GLY 44 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2yum n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yum n ASN 45 N 0.00 1.43 -4.38 1.61 4.13 -1.26 -5.04 115.26 111.74 2yum n ASN 45 Ca 0.00 0.23 -0.28 0.00 1.68 0.00 0.00 54.58 56.21 2yum n ASN 45 Cb 0.00 -0.53 0.27 0.00 -1.54 0.00 0.00 39.78 37.97 2yum n ASN 45 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2yum s ARG 46 N -2.44 -1.35 0.09 3.52 1.81 -1.26 -5.06 118.95 114.26 2yum s ARG 46 Ca -0.18 0.76 0.03 0.00 -1.72 0.00 0.00 55.73 54.61 2yum s ARG 46 Cb 0.04 -1.51 -0.04 0.00 -0.45 0.00 0.00 34.95 33.00 2yum s ARG 46 CO 0.26 -3.99 -0.08 0.95 -0.68 0.00 0.00 175.30 171.75 2yum s THR 47 N -2.40 0.79 0.28 0.02 -4.23 -1.26 -4.50 115.64 104.35 2yum s THR 47 Ca 0.69 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 59.66 2yum s THR 47 Cb -0.25 -1.34 0.31 0.00 1.34 0.00 0.00 72.50 72.56 2yum s THR 47 CO 0.65 -0.64 1.28 0.00 -0.54 0.00 0.00 174.62 175.37 2yum n ALA 48 N 0.50 0.67 0.00 3.99 0.00 -1.26 -1.10 120.51 123.32 2yum n ALA 48 Ca -0.16 0.84 -0.00 0.00 0.00 0.00 0.00 53.44 54.12 2yum n ALA 48 Cb 0.58 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 2yum n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2yum h LYS 49 N 0.00 -0.01 -0.85 0.00 3.11 -1.95 -2.31 116.57 114.55 2yum h LYS 49 Ca 0.61 0.00 0.28 0.00 -2.81 0.00 0.00 60.65 58.73 2yum h LYS 49 Cb 1.51 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 32.59 2yum h LYS 49 CO -0.68 -0.01 0.17 1.04 -2.81 0.00 0.00 179.45 177.17 2yum n GLN 50 N -2.03 -0.06 0.21 1.90 1.13 -0.26 0.71 117.38 118.98 2yum n GLN 50 Ca -0.00 1.24 -0.15 0.00 -1.94 0.00 0.00 57.00 56.14 2yum n GLN 50 Cb 0.00 -2.05 -0.08 0.00 0.11 0.00 0.00 30.24 28.23 2yum n GLN 50 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2yum h VAL 51 N 0.00 0.62 -0.19 5.09 2.07 -1.23 -2.13 116.25 120.47 2yum h VAL 51 Ca 0.59 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.14 2yum h VAL 51 Cb 1.36 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 2yum h VAL 51 CO -0.75 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 176.41 2yum h ALA 52 N 0.16 -0.75 -0.53 1.67 0.00 0.87 0.19 119.26 120.87 2yum h ALA 52 Ca -0.04 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.94 2yum h ALA 52 Cb 0.39 0.97 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 2yum h ALA 52 CO 0.06 -0.93 -0.26 0.66 0.00 0.00 0.00 179.25 178.77 2yum h SER 53 N -0.40 -0.91 0.19 0.00 4.64 -1.43 -1.82 113.55 113.81 2yum h SER 53 Ca 0.04 0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2yum h SER 53 Cb 0.51 0.48 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 2yum h SER 53 CO -0.39 -0.27 -0.35 -0.61 -0.87 0.00 0.00 176.83 174.33 2yum h GLN 54 N -0.14 -0.61 -0.84 4.77 5.75 -0.67 -2.59 115.11 120.79 2yum h GLN 54 Ca 0.23 0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.91 2yum h GLN 54 Cb 0.51 0.14 -0.14 0.00 1.07 0.00 0.00 27.48 29.06 2yum h GLN 54 CO -0.61 -0.40 -0.30 0.28 -2.65 0.00 0.00 178.83 175.14 2yum n VAL 55 N -5.44 -0.42 -0.36 2.39 0.31 0.61 0.19 118.33 115.60 2yum n VAL 55 Ca -0.08 1.95 0.02 0.00 -0.01 0.00 0.00 64.34 66.23 2yum n VAL 55 Cb 0.35 -2.60 0.16 0.00 -0.91 0.00 0.00 33.84 30.84 2yum n VAL 55 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2yum h GLN 56 N 0.00 1.12 0.00 5.55 4.20 -1.19 0.19 115.11 124.99 2yum h GLN 56 Ca 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2yum h GLN 56 Cb 0.52 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2yum h GLN 56 CO -0.84 0.74 0.00 1.63 -0.67 0.00 0.00 178.83 179.70 2yum n LYS 57 N -4.51 0.86 -0.03 1.46 4.76 0.49 -1.16 118.16 120.03 2yum n LYS 57 Ca 0.15 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.52 2yum n LYS 57 Cb 0.17 -1.06 -0.02 0.00 -1.84 0.00 0.00 35.03 32.27 2yum n LYS 57 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2yum n TYR 58 N -0.56 0.00 -0.11 2.13 4.02 0.53 -4.43 117.16 118.74 2yum n TYR 58 Ca 0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.70 2yum n TYR 58 Cb 0.01 -0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 38.99 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 -3.20 0.84 -0.03 -0.72 3.01 -0.30 -4.32 117.46 112.74 2yum n PHE 59 Ca -0.13 0.36 -0.08 0.00 1.01 0.00 0.00 57.45 58.62 2yum n PHE 59 Cb 0.59 -1.05 0.10 0.00 -0.01 0.00 0.00 39.48 39.11 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 -1.00 1.29 -0.83 4.37 2.04 -1.35 -2.88 117.51 119.15 2yum h ILE 60 Ca -0.37 -1.50 0.24 0.00 1.00 0.00 0.00 64.86 64.22 2yum h ILE 60 Cb 1.29 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 2yum h ILE 60 CO -0.23 0.48 0.71 0.07 0.00 0.00 0.00 178.15 179.18 2yum h LYS 61 N 0.53 0.00 -0.68 2.37 2.10 -1.34 0.28 116.57 119.82 2yum h LYS 61 Ca 0.05 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.87 2yum h LYS 61 Cb 0.86 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.15 2yum h LYS 61 CO 0.07 0.00 0.47 -0.07 -2.00 0.00 0.00 179.45 177.92 2yum h LEU 62 N 0.00 0.20 -0.96 7.07 3.38 -1.70 -1.33 115.31 121.98 2yum h LEU 62 Ca 0.39 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.57 2yum h LEU 62 Cb 1.80 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 2yum h LEU 62 CO -0.00 0.10 1.03 0.00 0.09 0.00 0.00 178.44 179.66 2yum h THR 63 N 0.22 0.04 -6.23 0.22 1.03 -0.66 -3.43 112.91 104.10 2yum h THR 63 Ca 0.33 0.00 -0.45 0.00 -0.01 0.00 0.00 66.41 66.28 2yum h THR 63 Cb 0.99 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2yum h THR 63 CO -0.07 0.00 -0.80 0.29 -0.01 0.00 0.00 175.52 174.93 2yum n LYS 64 N -3.10 -5.03 -3.71 0.00 5.02 -0.50 -4.98 118.16 105.87 2yum n LYS 64 Ca 0.15 0.59 -0.11 0.00 -2.02 0.00 0.00 58.31 56.91 2yum n LYS 64 Cb 1.24 -5.26 -0.12 0.00 -0.02 0.00 0.00 35.03 30.87 2yum n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yum s ALA 65 N -3.53 -0.84 0.00 7.82 0.00 -1.26 -4.90 121.76 119.05 2yum s ALA 65 Ca 0.30 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2yum s ALA 65 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2yum s ALA 65 CO 0.83 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2yum n GLY 66 N 4.26 1.94 3.57 0.00 0.00 -1.26 -4.99 105.19 108.70 2yum n GLY 66 Ca -0.24 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.00 2yum n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yum n ILE 67 N 0.00 1.06 -2.15 -0.61 -0.00 -1.26 -4.86 119.36 111.55 2yum n ILE 67 Ca 0.00 -0.27 -0.42 0.00 -0.00 0.00 0.00 62.75 62.06 2yum n ILE 67 Cb 0.00 -0.78 -0.03 0.00 -0.00 0.00 0.00 39.64 38.83 2yum n ILE 67 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2yum s PRO 68 N -0.55 4.20 0.26 0.38 0.04 -1.26 -4.93 135.00 133.13 2yum s PRO 68 Ca 0.71 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 63.55 2yum s PRO 68 Cb -0.85 -3.90 -0.14 0.00 0.04 0.00 0.00 34.50 29.65 2yum s PRO 68 CO 0.54 -0.79 0.27 0.28 0.04 0.00 0.00 177.00 177.34 2yum n VAL 69 N 5.42 1.18 -4.09 -0.36 0.31 -1.26 -4.98 118.33 114.55 2yum n VAL 69 Ca 0.16 -0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 2yum n VAL 69 Cb 0.43 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.26 2yum n VAL 69 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2yum s SER 70 N -0.87 0.61 0.17 4.52 0.01 -1.26 -4.88 113.70 112.00 2yum s SER 70 Ca 0.54 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 2yum s SER 70 Cb -0.69 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.63 2yum s SER 70 CO 0.51 -0.50 0.52 -0.83 0.41 0.00 0.00 173.24 173.35 2yum s GLY 71 N -2.63 2.36 0.10 3.44 0.00 -1.26 -5.05 107.32 104.29 2yum s GLY 71 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 44.72 44.20 2yum s GLY 71 CO -0.07 -0.03 1.37 2.56 0.00 0.00 0.00 173.10 176.93 2yum s PRO 72 N -2.32 4.33 0.39 2.90 0.04 -1.26 -4.96 135.00 134.13 2yum s PRO 72 Ca 0.41 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 2yum s PRO 72 Cb -0.13 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.00 2yum s PRO 72 CO 0.20 -0.43 0.73 0.45 0.04 0.00 0.00 177.00 177.99 2yum n SER 73 N 4.04 -0.05 -4.67 6.66 2.88 -1.26 -4.96 113.62 116.26 2yum n SER 73 Ca 0.11 0.99 -0.35 0.00 -1.33 0.00 0.00 58.87 58.29 2yum n SER 73 Cb 0.43 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 62.60 2yum n SER 73 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yum s SER 74 N -0.85 5.55 0.00 -3.46 0.01 -1.26 -5.34 113.70 108.34 2yum s SER 74 Ca 0.63 0.13 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2yum s SER 74 Cb -0.62 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2yum s SER 74 CO 0.58 0.26 0.28 0.61 0.41 0.00 0.00 173.24 175.38