#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 2.73 0.53 1.61 0.01 -1.26 -5.14 113.70 112.18 2yum s SER 2 Ca 0.00 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.04 2yum s SER 2 Cb 0.00 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 66.00 2yum s SER 2 CO 0.00 -0.17 1.02 -0.94 0.41 0.00 0.00 173.24 173.56 2yum s SER 3 N -3.36 6.28 0.00 2.44 1.04 -1.26 -5.00 113.70 113.84 2yum s SER 3 Ca 0.24 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2yum s SER 3 Cb -0.01 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2yum s SER 3 CO 0.09 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2yum n GLY 4 N -1.00 -1.89 0.24 7.32 0.00 -1.26 -5.07 105.19 103.52 2yum n GLY 4 Ca 0.08 0.90 -0.08 0.00 0.00 0.00 0.00 46.02 46.92 2yum n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yum h SER 5 N 0.00 -0.47 -2.87 1.61 0.87 -2.09 -3.45 113.55 107.15 2yum h SER 5 Ca 0.00 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.97 2yum h SER 5 Cb 0.00 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2yum h SER 5 CO 0.00 -0.17 -0.50 -0.44 -0.53 0.00 0.00 176.83 175.19 2yum s SER 6 N -4.13 6.27 0.00 6.23 0.01 -1.26 -4.87 113.70 115.95 2yum s SER 6 Ca -0.08 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2yum s SER 6 Cb 0.01 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.34 2yum s SER 6 CO 0.24 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.65 2yum n GLY 7 N 0.16 0.73 3.23 3.44 0.00 -1.26 -5.05 105.19 106.45 2yum n GLY 7 Ca -0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2yum n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yum n ASN 8 N 0.00 5.00 -3.85 1.61 6.94 -1.26 -4.94 115.26 118.76 2yum n ASN 8 Ca 0.00 -3.09 -0.28 0.00 -0.02 0.00 0.00 54.58 51.19 2yum n ASN 8 Cb 0.00 -1.24 -0.12 0.00 -2.36 0.00 0.00 39.78 36.06 2yum n ASN 8 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2yum s GLN 9 N -1.37 2.29 0.29 -3.83 -0.21 -1.26 -5.09 119.66 110.47 2yum s GLN 9 Ca 0.30 -3.19 -0.05 0.00 0.02 0.00 0.00 55.36 52.44 2yum s GLN 9 Cb -0.08 -3.21 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 2yum s GLN 9 CO -0.10 -1.29 0.55 -0.51 -2.12 0.00 0.00 175.29 171.82 2yum s LEU 10 N -1.26 4.06 1.12 2.90 1.02 -1.26 -5.07 118.68 120.19 2yum s LEU 10 Ca 0.25 0.70 -0.18 0.00 0.02 0.00 0.00 54.13 54.92 2yum s LEU 10 Cb -0.05 -3.51 0.12 0.00 0.02 0.00 0.00 46.19 42.77 2yum s LEU 10 CO -0.16 -0.19 0.05 0.79 0.02 0.00 0.00 176.35 176.85 2yum n TRP 11 N -0.93 -1.66 -5.28 0.29 7.02 -1.26 -5.01 117.44 110.61 2yum n TRP 11 Ca -0.02 0.09 -0.31 0.00 -1.02 0.00 0.00 57.50 56.24 2yum n TRP 11 Cb 0.54 -1.51 -0.16 0.00 -2.42 0.00 0.00 31.31 27.76 2yum n TRP 11 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2yum s THR 12 N -2.19 2.13 0.30 -0.99 -1.32 -1.26 -4.94 115.64 107.37 2yum s THR 12 Ca 0.52 -1.08 0.14 0.00 -1.21 0.00 0.00 61.69 60.06 2yum s THR 12 Cb -0.10 -1.74 0.31 0.00 -1.51 0.00 0.00 72.50 69.46 2yum s THR 12 CO 0.60 0.58 1.31 0.55 -2.21 0.00 0.00 174.62 175.45 2yum n VAL 13 N 2.44 -0.35 -0.22 5.08 3.14 -1.26 0.21 118.33 127.36 2yum n VAL 13 Ca -0.16 1.73 -0.04 0.00 -2.96 0.00 0.00 64.34 62.91 2yum n VAL 13 Cb 0.51 -2.74 0.07 0.00 -1.06 0.00 0.00 33.84 30.63 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 0.74 0.00 1.45 4.39 -2.00 -2.52 114.58 116.64 2yum h GLU 14 Ca 0.66 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.31 2yum h GLU 14 Cb 1.68 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2yum h GLU 14 CO -0.68 0.49 -0.06 0.93 -1.16 0.00 0.00 179.01 178.53 2yum h GLU 15 N 0.76 0.00 -0.85 2.33 3.07 0.21 -2.97 114.58 117.12 2yum h GLU 15 Ca 0.26 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.26 2yum h GLU 15 Cb 0.05 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.82 2yum h GLU 15 CO -0.12 0.68 -0.30 1.04 -1.40 0.00 0.00 179.01 178.91 2yum n GLN 16 N -4.65 -0.17 -0.09 2.33 6.02 0.10 0.13 117.38 121.05 2yum n GLN 16 Ca -0.08 1.31 -0.10 0.00 -0.01 0.00 0.00 57.00 58.12 2yum n GLN 16 Cb 0.34 -1.95 0.04 0.00 1.02 0.00 0.00 30.24 29.69 2yum n GLN 16 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2yum h LYS 17 N 0.00 0.83 -0.50 -1.09 2.10 -1.60 -3.12 116.57 113.19 2yum h LYS 17 Ca 0.32 -0.40 0.04 0.00 -2.00 0.00 0.00 60.65 58.62 2yum h LYS 17 Cb 0.54 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.82 2yum h LYS 17 CO -0.85 1.03 0.26 -0.22 -2.00 0.00 0.00 179.45 177.67 2yum h LYS 18 N 0.69 0.49 -0.09 0.07 3.11 0.13 -2.68 116.57 118.29 2yum h LYS 18 Ca 0.07 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 2yum h LYS 18 Cb 0.88 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.96 2yum h LYS 18 CO 0.08 0.32 -0.12 1.25 -2.81 0.00 0.00 179.45 178.17 2yum h LEU 19 N 0.50 -0.38 -0.90 5.20 5.85 -0.45 -2.06 115.31 123.08 2yum h LEU 19 Ca 0.22 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.19 2yum h LEU 19 Cb 0.12 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.16 2yum h LEU 19 CO -0.15 -0.17 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.23 2yum h GLU 20 N -0.16 0.00 -0.42 1.25 5.08 -1.42 0.44 114.58 119.35 2yum h GLU 20 Ca 0.08 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2yum h GLU 20 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2yum h GLU 20 CO -0.19 0.00 0.15 1.96 -1.00 0.00 0.00 179.01 179.93 2yum h GLN 21 N 0.00 0.64 0.99 2.33 4.20 -1.37 -3.16 115.11 118.74 2yum h GLN 21 Ca 0.43 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 2yum h GLN 21 Cb 0.66 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.35 2yum h GLN 21 CO -0.92 0.61 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.31 2yum h LEU 22 N 0.54 -1.12 -0.73 1.46 3.38 0.34 -2.26 115.31 116.90 2yum h LEU 22 Ca 0.14 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.34 2yum h LEU 22 Cb 0.23 0.29 -0.14 0.00 0.09 0.00 0.00 40.66 41.13 2yum h LEU 22 CO -0.01 -0.80 -0.01 0.18 0.09 0.00 0.00 178.44 177.89 2yum n LEU 23 N -5.59 -0.11 -0.14 1.67 4.77 0.11 0.23 117.00 117.94 2yum n LEU 23 Ca -0.16 1.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.95 2yum n LEU 23 Cb 0.52 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2yum n LEU 23 CO 0.40 -1.26 0.73 0.40 -1.33 0.00 0.00 177.39 176.33 2yum h ILE 24 N 0.00 1.27 -0.73 -0.08 2.04 -1.48 -3.04 117.51 115.50 2yum h ILE 24 Ca 0.43 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2yum h ILE 24 Cb 0.86 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2yum h ILE 24 CO -0.70 0.40 0.32 0.50 0.00 0.00 0.00 178.15 178.67 2yum h LYS 25 N 0.62 1.06 -3.86 2.37 3.64 0.36 -3.35 116.57 117.40 2yum h LYS 25 Ca 0.11 -0.17 -0.75 0.00 -1.27 0.00 0.00 60.65 58.57 2yum h LYS 25 Cb 0.62 -0.19 -0.29 0.00 -0.41 0.00 0.00 32.23 31.96 2yum h LYS 25 CO 0.04 0.84 -0.15 0.71 -2.27 0.00 0.00 179.45 178.62 2yum s TYR 26 N -5.53 3.56 0.94 1.91 2.02 0.84 -5.07 117.35 116.01 2yum s TYR 26 Ca -0.11 -2.12 -0.12 0.00 -0.37 0.00 0.00 57.07 54.34 2yum s TYR 26 Cb 0.16 -3.58 0.15 0.00 -0.40 0.00 0.00 41.96 38.29 2yum s TYR 26 CO 0.82 -0.95 1.09 -1.25 -1.57 0.00 0.00 175.55 173.69 2yum s PRO 27 N 0.42 0.92 -0.30 -1.71 0.04 -1.26 -4.74 135.00 128.38 2yum s PRO 27 Ca 0.14 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 2yum s PRO 27 Cb -0.18 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2yum s PRO 27 CO -0.05 -2.44 1.67 -1.25 0.04 0.00 0.00 177.00 174.97 2yum s PRO 28 N -4.95 3.56 0.65 0.56 0.04 -1.26 -4.95 135.00 128.65 2yum s PRO 28 Ca 0.64 1.45 0.06 0.00 0.04 0.00 0.00 61.00 63.20 2yum s PRO 28 Cb -0.18 -4.11 0.11 0.00 0.04 0.00 0.00 34.50 30.37 2yum s PRO 28 CO 0.57 -1.58 0.89 -1.83 0.04 0.00 0.00 177.00 175.09 2yum s GLU 29 N 5.14 1.99 0.23 4.56 -1.05 -1.26 -4.96 118.70 123.36 2yum s GLU 29 Ca 0.74 -1.51 -0.03 0.00 -0.15 0.00 0.00 54.97 54.01 2yum s GLU 29 Cb -0.22 -2.52 0.47 0.00 -0.44 0.00 0.00 34.13 31.42 2yum s GLU 29 CO 0.32 -1.16 1.25 -0.85 0.95 0.00 0.00 175.26 175.77 2yum n GLU 30 N -2.51 -0.07 -4.19 -4.83 0.28 -1.26 -4.31 120.64 103.75 2yum n GLU 30 Ca 0.16 1.23 -0.28 0.00 -0.16 0.00 0.00 57.16 58.11 2yum n GLU 30 Cb 0.61 -1.89 -0.08 0.00 1.43 0.00 0.00 31.44 31.51 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 -5.90 3.68 -0.06 3.84 1.01 -1.26 -5.03 120.40 116.69 2yum s VAL 31 Ca -0.11 -1.28 0.21 0.00 0.00 0.00 0.00 61.98 60.80 2yum s VAL 31 Cb 0.22 -2.79 -0.32 0.00 0.00 0.00 0.00 36.38 33.50 2yum s VAL 31 CO 0.63 0.01 0.45 -1.84 0.00 0.00 0.00 175.10 174.34 2yum n GLU 32 N 0.29 0.66 0.23 2.72 0.00 -1.26 -3.95 120.64 119.33 2yum n GLU 32 Ca -0.11 -0.16 0.14 0.00 0.00 0.00 0.00 57.16 57.03 2yum n GLU 32 Cb 0.54 -1.53 0.39 0.00 0.00 0.00 0.00 31.44 30.84 2yum n GLU 32 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2yum h SER 33 N 0.00 0.00 0.06 -1.84 0.02 -1.95 -3.28 113.55 106.56 2yum h SER 33 Ca -0.07 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 2yum h SER 33 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2yum h SER 33 CO 0.00 0.00 -1.30 0.03 -1.14 0.00 0.00 176.83 174.42 2yum h ARG 34 N 0.00 0.12 -0.97 3.45 -0.00 -1.99 -3.34 114.38 111.65 2yum h ARG 34 Ca 0.00 -0.21 0.27 0.00 -0.50 0.00 0.00 59.98 59.55 2yum h ARG 34 Cb 0.77 0.08 -0.14 0.00 0.00 0.00 0.00 29.97 30.68 2yum h ARG 34 CO 0.00 1.10 0.50 -0.09 0.00 0.00 0.00 179.97 181.48 2yum h ARG 35 N -0.61 0.38 -0.62 0.04 2.43 -1.68 0.55 114.38 114.86 2yum h ARG 35 Ca -0.31 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 2yum h ARG 35 Cb 1.54 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 2yum h ARG 35 CO -0.06 0.25 0.18 -1.49 -1.51 0.00 0.00 179.97 177.35 2yum h TRP 36 N 0.39 0.98 -0.45 2.20 -0.00 -1.71 -2.38 115.95 114.97 2yum h TRP 36 Ca 0.66 -0.09 0.04 0.00 -0.00 0.00 0.00 58.89 59.50 2yum h TRP 36 Cb 1.38 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 30.21 2yum h TRP 36 CO -0.07 0.79 0.21 0.37 -0.00 0.00 0.00 178.44 179.75 2yum h GLN 37 N 0.92 0.42 -0.31 0.49 5.75 -0.02 0.18 115.11 122.54 2yum h GLN 37 Ca 0.20 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2yum h GLN 37 Cb 0.28 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 2yum h GLN 37 CO -0.01 0.28 0.10 0.87 -2.65 0.00 0.00 178.83 177.42 2yum h LYS 38 N 0.43 0.48 0.40 1.69 1.57 -1.24 -2.54 116.57 117.36 2yum h LYS 38 Ca 0.20 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2yum h LYS 38 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2yum h LYS 38 CO -0.15 0.52 -0.19 0.82 -0.57 0.00 0.00 179.45 179.88 2yum h ILE 39 N 0.35 0.61 -0.61 1.86 2.04 -1.04 -3.04 117.51 117.68 2yum h ILE 39 Ca 0.10 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2yum h ILE 39 Cb 0.24 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 36.86 2yum h ILE 39 CO -0.00 0.02 -0.19 0.00 0.00 0.00 0.00 178.15 177.98 2yum h ALA 40 N -0.01 0.33 -0.69 1.87 0.00 -0.63 -0.40 119.26 119.72 2yum h ALA 40 Ca -0.06 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2yum h ALA 40 Cb 0.45 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 2yum h ALA 40 CO 0.09 -0.47 -0.17 0.22 0.00 0.00 0.00 179.25 178.92 2yum h ASP 41 N -0.04 -0.64 -0.25 0.00 3.58 -1.34 0.20 116.42 117.93 2yum h ASP 41 Ca 0.29 0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.99 2yum h ASP 41 Cb 0.48 0.43 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 2yum h ASP 41 CO -0.64 -0.23 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.13 2yum h GLU 42 N -0.00 0.04 0.88 0.28 4.39 -0.99 -3.02 114.58 116.15 2yum h GLU 42 Ca 0.33 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 2yum h GLU 42 Cb 0.50 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2yum h GLU 42 CO -0.71 0.02 -0.42 -0.07 -1.16 0.00 0.00 179.01 176.67 2yum h LEU 43 N 0.04 -1.00 0.00 1.33 3.38 -0.61 -3.47 115.31 114.98 2yum h LEU 43 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2yum h LEU 43 Cb 0.17 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2yum h LEU 43 CO -0.23 -0.70 0.00 0.61 0.09 0.00 0.00 178.44 178.21 2yum n GLY 44 N -1.54 2.77 0.11 0.83 0.00 0.50 -4.78 105.19 103.08 2yum n GLY 44 Ca -0.15 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2yum n GLY 44 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yum h ASN 45 N 0.00 0.16 -4.57 1.61 -1.07 -1.91 -3.48 115.58 106.32 2yum h ASN 45 Ca 0.00 -0.73 -0.40 0.00 0.07 0.00 0.00 56.30 55.23 2yum h ASN 45 Cb 0.00 -0.05 0.11 0.00 -2.07 0.00 0.00 38.32 36.31 2yum h ASN 45 CO 0.00 1.49 0.23 0.54 0.07 0.00 0.00 177.43 179.76 2yum n ARG 46 N -4.22 -0.55 -4.10 4.14 5.12 -1.26 -5.12 116.66 110.67 2yum n ARG 46 Ca -0.26 -2.18 -0.09 0.00 -1.93 0.00 0.00 57.85 53.38 2yum n ARG 46 Cb 0.75 -0.89 -0.10 0.00 -1.16 0.00 0.00 32.46 31.06 2yum n ARG 46 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2yum s THR 47 N -3.15 0.39 0.13 0.55 -4.23 -1.26 -4.78 115.64 103.29 2yum s THR 47 Ca 0.63 -1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 2yum s THR 47 Cb -0.03 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.51 2yum s THR 47 CO 0.43 -0.83 1.10 0.00 -0.54 0.00 0.00 174.62 174.78 2yum n ALA 48 N 0.40 -0.36 0.00 3.99 0.00 -1.26 -0.20 120.51 123.08 2yum n ALA 48 Ca -0.16 0.63 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 2yum n ALA 48 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.00 -1.02 0.00 1.79 -1.93 0.57 116.57 115.98 2yum h LYS 49 Ca 0.15 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.03 2yum h LYS 49 Cb 0.33 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.81 2yum h LYS 49 CO -0.68 -0.00 0.57 1.04 -1.08 0.00 0.00 179.45 179.31 2yum n GLN 50 N -2.27 -0.05 -0.10 3.15 6.02 -0.52 0.17 117.38 123.77 2yum n GLN 50 Ca -0.00 1.29 -0.12 0.00 -0.01 0.00 0.00 57.00 58.16 2yum n GLN 50 Cb 0.00 -2.36 -0.04 0.00 1.02 0.00 0.00 30.24 28.86 2yum n GLN 50 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2yum h VAL 51 N 0.00 1.29 -0.87 5.09 2.07 -0.05 -2.17 116.25 121.62 2yum h VAL 51 Ca 0.81 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2yum h VAL 51 Cb 2.24 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 33.42 2yum h VAL 51 CO -0.68 0.43 0.54 0.00 0.02 0.00 0.00 177.57 177.87 2yum h ALA 52 N 0.75 1.22 -0.30 1.67 0.00 0.40 -0.05 119.26 122.94 2yum h ALA 52 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2yum h ALA 52 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2yum h ALA 52 CO 0.05 0.25 -0.46 1.03 0.00 0.00 0.00 179.25 180.13 2yum h SER 53 N 0.95 0.86 0.31 0.00 0.87 -1.28 -2.98 113.55 112.27 2yum h SER 53 Ca 0.39 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2yum h SER 53 Cb 0.23 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2yum h SER 53 CO -0.19 1.18 -0.32 -0.61 -0.53 0.00 0.00 176.83 176.36 2yum h GLN 54 N 0.63 0.02 -0.19 2.24 5.75 -0.68 -3.00 115.11 119.88 2yum h GLN 54 Ca 0.04 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2yum h GLN 54 Cb 1.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 2yum h GLN 54 CO 0.10 0.34 0.06 0.28 -2.65 0.00 0.00 178.83 176.96 2yum h VAL 55 N 0.02 1.19 -0.99 2.39 2.07 -0.88 -2.83 116.25 117.21 2yum h VAL 55 Ca 0.00 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.11 2yum h VAL 55 Cb 0.58 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 2yum h VAL 55 CO 0.04 0.18 0.62 0.06 0.02 0.00 0.00 177.57 178.49 2yum h GLN 56 N 0.13 0.74 -0.84 1.57 -0.00 -1.47 0.56 115.11 115.81 2yum h GLN 56 Ca 0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 2yum h GLN 56 Cb 0.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 2yum h GLN 56 CO -0.00 0.49 0.02 1.63 -0.00 0.00 0.00 178.83 180.97 2yum n LYS 57 N -4.70 2.58 0.00 0.06 5.02 -1.08 -1.47 118.16 118.56 2yum n LYS 57 Ca 0.22 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 2yum n LYS 57 Cb 0.55 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.23 0.00 0.00 2.13 4.02 0.19 -4.44 117.16 119.29 2yum n TYR 58 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2yum n TYR 58 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 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 -1.53 0.00 0.04 -0.72 3.01 -0.93 -4.48 117.46 112.86 2yum n PHE 59 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 2yum n PHE 59 Cb 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 2yum n PHE 59 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2yum n ILE 60 N -1.91 0.96 -0.03 4.37 5.41 -0.54 -3.86 119.36 123.77 2yum n ILE 60 Ca 0.00 -0.65 -0.16 0.00 1.00 0.00 0.00 62.75 62.94 2yum n ILE 60 Cb 0.45 -0.57 -0.14 0.00 -0.71 0.00 0.00 39.64 38.68 2yum n ILE 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2yum h LYS 61 N 0.00 0.11 0.00 0.38 3.64 -1.76 -3.24 116.57 115.70 2yum h LYS 61 Ca -0.12 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2yum h LYS 61 Cb 1.41 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2yum h LYS 61 CO 0.03 1.09 0.00 1.47 -2.27 0.00 0.00 179.45 179.77 2yum n LEU 62 N -4.42 0.00 -4.19 5.20 -0.00 -1.26 -4.79 117.00 107.53 2yum n LEU 62 Ca -0.12 0.21 -0.29 0.00 -0.00 0.00 0.00 56.01 55.81 2yum n LEU 62 Cb 0.61 -0.21 0.17 0.00 -0.00 0.00 0.00 43.42 43.98 2yum n LEU 62 CO 0.39 -0.15 -0.44 1.07 -0.00 0.00 0.00 177.39 178.27 2yum n THR 63 N -1.21 0.00 -3.63 1.47 5.66 -1.23 -4.97 114.28 110.37 2yum n THR 63 Ca 0.05 -0.21 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 2yum n THR 63 Cb 0.07 -0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 68.18 2yum n THR 63 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2yum n LYS 64 N -1.97 1.66 -3.22 1.09 2.85 -1.26 -5.03 118.16 112.28 2yum n LYS 64 Ca 0.02 -4.22 -0.13 0.00 -1.05 0.00 0.00 58.31 52.94 2yum n LYS 64 Cb 0.56 -2.09 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 2yum n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2yum n ALA 65 N 1.75 0.30 -0.18 0.58 0.00 -1.26 -4.98 120.51 116.72 2yum n ALA 65 Ca 0.24 -1.05 0.25 0.00 0.00 0.00 0.00 53.44 52.89 2yum n ALA 65 Cb 0.40 0.72 0.39 0.00 0.00 0.00 0.00 19.45 20.96 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 0.67 -0.70 2.38 0.00 0.00 -1.26 -4.63 105.19 101.65 2yum n GLY 66 Ca -0.02 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.09 0.39 -2.26 -0.61 5.41 -1.26 -4.84 119.36 113.10 2yum n ILE 67 Ca 0.21 -0.10 -0.37 0.00 1.00 0.00 0.00 62.75 63.49 2yum n ILE 67 Cb 1.43 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 40.35 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 -0.19 3.76 0.22 0.38 0.04 -1.26 -5.00 135.00 132.95 2yum s PRO 68 Ca 0.57 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 2yum s PRO 68 Cb -0.80 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 31.24 2yum s PRO 68 CO 0.39 -0.55 1.06 0.54 0.04 0.00 0.00 177.00 178.48 2yum s VAL 69 N -1.54 3.79 0.45 -0.36 0.11 -1.26 -5.05 120.40 116.54 2yum s VAL 69 Ca 0.63 1.68 0.05 0.00 -2.93 0.00 0.00 61.98 61.41 2yum s VAL 69 Cb -0.29 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2yum s VAL 69 CO 0.35 0.35 0.11 -0.44 -3.33 0.00 0.00 175.10 172.14 2yum s SER 70 N -0.59 4.22 -0.48 3.54 0.01 -1.26 -5.10 113.70 114.05 2yum s SER 70 Ca 0.46 -1.33 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2yum s SER 70 Cb -0.29 -0.08 0.25 0.00 0.21 0.00 0.00 66.02 66.10 2yum s SER 70 CO 0.36 -0.67 0.60 0.61 0.41 0.00 0.00 173.24 174.55 2yum n GLY 71 N -1.24 3.52 3.58 3.44 0.00 -1.26 -5.06 105.19 108.18 2yum n GLY 71 Ca -0.07 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2yum n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yum s PRO 72 N -1.61 3.08 -1.51 1.61 0.04 -1.26 -3.32 135.00 132.03 2yum s PRO 72 Ca 0.37 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2yum s PRO 72 Cb 0.16 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.52 2yum s PRO 72 CO -0.08 -2.17 0.89 0.43 0.04 0.00 0.00 177.00 176.11 2yum n SER 73 N 11.09 -3.86 -0.06 6.66 7.64 -1.26 -4.87 113.62 128.96 2yum n SER 73 Ca 0.21 -0.82 -0.12 0.00 1.01 0.00 0.00 58.87 59.15 2yum n SER 73 Cb 0.49 -3.76 -0.04 0.00 -1.01 0.00 0.00 64.21 59.89 2yum n SER 73 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yum n SER 74 N -2.86 1.03 0.00 6.43 7.64 -1.21 -5.33 113.62 119.32 2yum n SER 74 Ca -0.03 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2yum n SER 74 Cb 0.55 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2yum n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64