#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yum n SER 2 N 0.00 -3.42 -3.67 1.61 7.64 -1.26 -5.00 113.62 109.52 2yum n SER 2 Ca 0.00 0.63 -0.10 0.00 1.01 0.00 0.00 58.87 60.41 2yum n SER 2 Cb 0.00 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 2yum n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yum s SER 3 N -1.04 -0.36 0.31 6.43 1.04 -1.26 -5.13 113.70 113.69 2yum s SER 3 Ca 0.57 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2yum s SER 3 Cb -0.46 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2yum s SER 3 CO 0.66 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2yum n GLY 4 N -0.39 -4.25 3.11 7.32 0.00 -1.26 -4.89 105.19 104.84 2yum n GLY 4 Ca -0.11 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2yum n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yum s SER 5 N -2.40 5.33 -0.06 1.61 0.01 -1.26 -4.93 113.70 111.99 2yum s SER 5 Ca 0.00 -2.70 -0.24 0.00 1.31 0.00 0.00 55.95 54.32 2yum s SER 5 Cb 0.00 -1.87 -0.19 0.00 0.21 0.00 0.00 66.02 64.16 2yum s SER 5 CO 0.00 -0.42 1.00 0.28 0.41 0.00 0.00 173.24 174.52 2yum h SER 6 N 7.26 -0.08 0.00 2.44 0.02 -2.02 -3.50 113.55 117.67 2yum h SER 6 Ca -0.03 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2yum h SER 6 Cb 0.97 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2yum h SER 6 CO 0.72 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 2yum n GLY 7 N 0.65 -1.16 0.18 -3.77 0.00 -1.26 -4.99 105.19 94.84 2yum n GLY 7 Ca -0.08 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 2yum n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yum h ASN 8 N 0.00 0.81 -0.29 1.61 7.08 -2.04 -3.24 115.58 119.51 2yum h ASN 8 Ca 0.00 -0.71 -0.18 0.00 -3.08 0.00 0.00 56.30 52.33 2yum h ASN 8 Cb 0.00 -0.25 -0.09 0.00 -2.08 0.00 0.00 38.32 35.90 2yum h ASN 8 CO 0.00 1.51 0.23 0.00 -2.08 0.00 0.00 177.43 177.10 2yum n GLN 9 N -3.79 1.45 -1.47 4.14 6.02 -1.26 -4.96 117.38 117.51 2yum n GLN 9 Ca -0.11 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 55.54 2yum n GLN 9 Cb 0.93 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.84 2yum n GLN 9 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2yum n LEU 10 N 0.55 0.25 -3.90 1.08 0.00 -1.23 -4.62 117.00 109.13 2yum n LEU 10 Ca 0.18 0.92 -0.56 0.00 0.00 0.00 0.00 56.01 56.56 2yum n LEU 10 Cb 0.64 -1.14 -0.09 0.00 0.00 0.00 0.00 43.42 42.83 2yum n LEU 10 CO 0.21 -2.74 1.17 0.79 0.00 0.00 0.00 177.39 176.82 2yum n TRP 11 N -0.82 1.31 -3.16 1.96 7.02 -1.26 -4.89 117.44 117.60 2yum n TRP 11 Ca 0.11 0.86 -0.30 0.00 -1.02 0.00 0.00 57.50 57.15 2yum n TRP 11 Cb 0.39 -1.93 -0.04 0.00 -2.42 0.00 0.00 31.31 27.32 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 3.53 4.87 0.24 -0.99 -1.32 -1.26 -4.74 115.64 115.96 2yum s THR 12 Ca 0.95 0.47 -0.01 0.00 -1.21 0.00 0.00 61.69 61.89 2yum s THR 12 Cb -1.28 -3.69 0.34 0.00 -1.51 0.00 0.00 72.50 66.36 2yum s THR 12 CO 0.65 -0.31 1.23 0.55 -2.21 0.00 0.00 174.62 174.52 2yum n VAL 13 N -0.80 -0.33 -0.07 5.08 3.14 -1.26 0.10 118.33 124.19 2yum n VAL 13 Ca 0.01 1.75 -0.07 0.00 -2.96 0.00 0.00 64.34 63.06 2yum n VAL 13 Cb 0.53 -2.52 -0.01 0.00 -1.06 0.00 0.00 33.84 30.79 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 -0.18 -0.08 1.45 5.08 -2.00 -1.70 114.58 117.14 2yum h GLU 14 Ca 0.45 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 2yum h GLU 14 Cb 0.87 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2yum h GLU 14 CO -0.76 -0.12 -0.07 0.93 -1.00 0.00 0.00 179.01 177.99 2yum h GLU 15 N -0.19 0.20 -0.88 2.33 5.08 0.30 -1.91 114.58 119.50 2yum h GLU 15 Ca 0.15 -0.10 0.15 0.00 -1.00 0.00 0.00 59.36 58.56 2yum h GLU 15 Cb 0.43 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.52 2yum h GLU 15 CO -0.40 0.61 -0.35 1.96 -1.00 0.00 0.00 179.01 179.83 2yum h GLN 16 N -0.22 -0.04 -0.14 2.33 4.20 -0.24 0.48 115.11 121.48 2yum h GLN 16 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2yum h GLN 16 Cb 0.57 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2yum h GLN 16 CO 0.02 -0.03 -0.59 1.57 -0.67 0.00 0.00 178.83 179.13 2yum h LYS 17 N -0.04 0.46 0.73 1.46 2.10 -1.36 -3.06 116.57 116.86 2yum h LYS 17 Ca 0.34 -0.31 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2yum h LYS 17 Cb 0.60 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2yum h LYS 17 CO -0.91 0.92 -0.39 -0.22 -2.00 0.00 0.00 179.45 176.85 2yum h LYS 18 N 0.34 -0.99 -0.72 0.07 3.11 0.58 -2.54 116.57 116.42 2yum h LYS 18 Ca -0.00 0.07 0.16 0.00 -2.81 0.00 0.00 60.65 58.07 2yum h LYS 18 Cb 1.13 0.23 -0.12 0.00 -1.00 0.00 0.00 32.23 32.47 2yum h LYS 18 CO 0.11 -0.66 0.05 1.25 -2.81 0.00 0.00 179.45 177.38 2yum h LEU 19 N -1.03 -0.25 -0.58 5.20 5.85 -0.48 0.30 115.31 124.32 2yum h LEU 19 Ca -0.10 0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.91 2yum h LEU 19 Cb 0.80 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 2yum h LEU 19 CO 0.14 -0.14 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.74 2yum h GLU 20 N 0.14 0.08 -0.71 1.25 4.39 -1.42 0.23 114.58 118.54 2yum h GLU 20 Ca 0.40 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 2yum h GLU 20 Cb 0.69 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2yum h GLU 20 CO -0.60 0.05 0.32 1.96 -1.16 0.00 0.00 179.01 179.58 2yum h GLN 21 N 0.08 1.04 0.11 2.33 1.08 -0.54 -3.05 115.11 116.16 2yum h GLN 21 Ca 0.29 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2yum h GLN 21 Cb 0.46 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2yum h GLN 21 CO -0.52 0.83 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.07 2yum h LEU 22 N 1.00 -0.12 -0.93 1.46 3.38 -0.10 -2.77 115.31 117.23 2yum h LEU 22 Ca 0.24 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.27 2yum h LEU 22 Cb 0.16 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 2yum h LEU 22 CO -0.03 0.03 -0.31 0.18 0.09 0.00 0.00 178.44 178.40 2yum n LEU 23 N -5.09 -0.50 -0.08 1.67 4.77 0.63 0.45 117.00 118.84 2yum n LEU 23 Ca -0.08 1.62 -0.10 0.00 -0.03 0.00 0.00 56.01 57.42 2yum n LEU 23 Cb 0.13 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2yum n LEU 23 CO 0.33 -1.49 0.94 0.40 -1.33 0.00 0.00 177.39 176.24 2yum h ILE 24 N 0.00 1.12 -0.74 -0.08 2.04 -1.53 -2.81 117.51 115.51 2yum h ILE 24 Ca 0.37 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2yum h ILE 24 Cb 0.60 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2yum h ILE 24 CO -0.94 0.12 0.42 0.50 0.00 0.00 0.00 178.15 178.25 2yum h LYS 25 N 0.34 0.73 -3.88 2.37 3.64 0.28 -3.32 116.57 116.73 2yum h LYS 25 Ca 0.10 -0.04 -0.74 0.00 -1.27 0.00 0.00 60.65 58.69 2yum h LYS 25 Cb 0.06 -0.16 -0.30 0.00 -0.41 0.00 0.00 32.23 31.42 2yum h LYS 25 CO -0.02 0.48 -0.18 0.71 -2.27 0.00 0.00 179.45 178.17 2yum s TYR 26 N -6.07 3.54 1.01 1.91 2.02 0.84 -5.07 117.35 115.53 2yum s TYR 26 Ca -0.13 -2.14 -0.13 0.00 -0.37 0.00 0.00 57.07 54.30 2yum s TYR 26 Cb 0.17 -3.55 0.20 0.00 -0.40 0.00 0.00 41.96 38.38 2yum s TYR 26 CO 0.77 -0.95 1.09 -1.25 -1.57 0.00 0.00 175.55 173.65 2yum s PRO 27 N 0.47 0.30 -0.25 -1.71 0.04 -1.25 -4.72 135.00 127.89 2yum s PRO 27 Ca 0.14 0.47 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 2yum s PRO 27 Cb -0.18 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2yum s PRO 27 CO -0.04 -2.81 1.63 -1.25 0.04 0.00 0.00 177.00 174.57 2yum s PRO 28 N -4.97 3.72 0.31 0.56 0.04 -1.26 -4.88 135.00 128.51 2yum s PRO 28 Ca 0.66 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.35 2yum s PRO 28 Cb -0.19 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2yum s PRO 28 CO 0.58 -1.39 0.30 -1.83 0.04 0.00 0.00 177.00 174.70 2yum s GLU 29 N 4.83 2.89 0.30 4.56 -1.05 -1.26 -4.99 118.70 123.99 2yum s GLU 29 Ca 0.72 -1.15 0.08 0.00 -0.15 0.00 0.00 54.97 54.47 2yum s GLU 29 Cb -0.24 -2.59 0.89 0.00 -0.44 0.00 0.00 34.13 31.75 2yum s GLU 29 CO 0.30 0.19 1.43 -0.85 0.95 0.00 0.00 175.26 177.28 2yum n GLU 30 N -1.37 -0.07 -3.46 -4.83 0.28 -1.26 -2.96 120.64 106.98 2yum n GLU 30 Ca -0.04 1.33 -0.43 0.00 -0.16 0.00 0.00 57.16 57.86 2yum n GLU 30 Cb 0.59 -2.20 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 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 -5.71 4.81 0.25 3.84 1.01 -1.26 -4.94 120.40 118.40 2yum s VAL 31 Ca -0.11 -2.17 -0.04 0.00 0.00 0.00 0.00 61.98 59.66 2yum s VAL 31 Cb 0.28 -4.07 0.23 0.00 0.00 0.00 0.00 36.38 32.83 2yum s VAL 31 CO 0.71 -0.90 1.70 -0.08 0.00 0.00 0.00 175.10 176.53 2yum h GLU 32 N 8.06 0.31 -0.64 2.72 4.81 -1.95 -1.11 114.58 126.79 2yum h GLU 32 Ca -0.09 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2yum h GLU 32 Cb 1.05 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.23 2yum h GLU 32 CO 0.83 0.20 -0.21 1.03 -0.73 0.00 0.00 179.01 180.14 2yum h SER 33 N 0.32 -0.75 -0.28 1.04 0.87 -1.92 -0.22 113.55 112.61 2yum h SER 33 Ca 0.42 0.20 0.05 0.00 -1.23 0.00 0.00 61.79 61.23 2yum h SER 33 Cb 0.70 0.45 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 2yum h SER 33 CO -0.48 -0.24 -0.01 0.03 -0.53 0.00 0.00 176.83 175.60 2yum h ARG 34 N -0.05 0.07 -0.62 2.24 3.08 -1.60 -2.05 114.38 115.45 2yum h ARG 34 Ca 0.30 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.46 2yum h ARG 34 Cb 0.50 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.42 2yum h ARG 34 CO -0.68 0.05 -0.28 -0.09 -1.07 0.00 0.00 179.97 177.90 2yum h ARG 35 N 0.07 -0.10 -0.41 0.04 2.43 -0.86 0.28 114.38 115.83 2yum h ARG 35 Ca 0.14 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2yum h ARG 35 Cb 0.18 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2yum h ARG 35 CO -0.24 -0.07 0.25 -1.49 -1.51 0.00 0.00 179.97 176.91 2yum h TRP 36 N -0.11 0.46 -0.65 2.20 -0.00 -1.02 -2.41 115.95 114.42 2yum h TRP 36 Ca 0.27 0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.30 2yum h TRP 36 Cb 0.54 -0.15 -0.09 0.00 -0.00 0.00 0.00 29.16 29.45 2yum h TRP 36 CO -0.61 0.27 0.16 0.37 -0.00 0.00 0.00 178.44 178.63 2yum h GLN 37 N 0.50 0.28 -0.31 0.49 5.75 -0.30 0.79 115.11 122.31 2yum h GLN 37 Ca 0.16 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2yum h GLN 37 Cb 0.00 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2yum h GLN 37 CO -0.07 0.18 0.19 0.87 -2.65 0.00 0.00 178.83 177.35 2yum h LYS 38 N 0.29 0.41 0.64 1.69 1.57 -0.83 -0.82 116.57 119.52 2yum h LYS 38 Ca 0.35 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2yum h LYS 38 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2yum h LYS 38 CO -0.43 0.30 -0.32 0.82 -0.57 0.00 0.00 179.45 179.26 2yum h ILE 39 N 0.40 0.35 0.11 1.86 2.04 -0.76 -3.03 117.51 118.48 2yum h ILE 39 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2yum h ILE 39 Cb -0.01 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2yum h ILE 39 CO -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 178.15 177.69 2yum h ALA 40 N -0.52 -0.79 -0.77 1.87 0.00 -0.84 -2.44 119.26 115.77 2yum h ALA 40 Ca -0.09 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2yum h ALA 40 Cb 0.68 0.75 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 2yum h ALA 40 CO 0.14 -1.01 -0.32 -3.47 0.00 0.00 0.00 179.25 174.58 2yum n ASP 41 N -5.47 -0.54 -0.04 0.00 2.03 -0.32 0.94 116.55 113.14 2yum n ASP 41 Ca -0.07 1.35 -0.08 0.00 0.52 0.00 0.00 54.79 56.50 2yum n ASP 41 Cb 0.39 -0.29 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 2yum n ASP 41 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2yum h GLU 42 N 0.00 0.05 -0.67 -0.67 4.39 -1.32 -2.39 114.58 113.97 2yum h GLU 42 Ca 0.25 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.01 2yum h GLU 42 Cb 0.44 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 2yum h GLU 42 CO -0.76 0.03 0.37 -0.07 -1.16 0.00 0.00 179.01 177.42 2yum h LEU 43 N 0.05 0.54 0.00 1.33 3.38 0.98 -3.45 115.31 118.13 2yum h LEU 43 Ca 0.10 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2yum h LEU 43 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2yum h LEU 43 CO -0.17 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2yum n GLY 44 N -1.29 1.08 0.10 0.83 0.00 0.72 -4.57 105.19 102.06 2yum n GLY 44 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2yum n GLY 44 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2yum h ASN 45 N 0.00 0.26 -3.76 1.61 -0.73 -1.88 -3.47 115.58 107.62 2yum h ASN 45 Ca 0.00 -0.90 -0.46 0.00 1.87 0.00 0.00 56.30 56.80 2yum h ASN 45 Cb 0.00 -0.08 0.07 0.00 0.27 0.00 0.00 38.32 38.58 2yum h ASN 45 CO 0.00 1.14 0.22 -0.13 -0.37 0.00 0.00 177.43 178.30 2yum s ARG 46 N -2.62 2.33 0.18 6.67 1.81 -1.26 -5.11 118.95 120.96 2yum s ARG 46 Ca -0.16 -0.20 0.08 0.00 -1.72 0.00 0.00 55.73 53.73 2yum s ARG 46 Cb -0.00 -2.18 -0.04 0.00 -0.45 0.00 0.00 34.95 32.27 2yum s ARG 46 CO 0.76 -1.15 -0.16 0.95 -0.68 0.00 0.00 175.30 175.02 2yum s THR 47 N -3.21 1.76 0.18 0.02 -4.23 -1.26 -4.62 115.64 104.29 2yum s THR 47 Ca 0.59 -2.05 -0.18 0.00 -1.18 0.00 0.00 61.69 58.87 2yum s THR 47 Cb -0.11 -1.92 0.15 0.00 1.34 0.00 0.00 72.50 71.95 2yum s THR 47 CO 0.45 -0.46 1.34 0.00 -0.54 0.00 0.00 174.62 175.41 2yum n ALA 48 N -0.03 -0.21 0.11 3.99 0.00 -1.26 -0.69 120.51 122.42 2yum n ALA 48 Ca -0.11 0.83 -0.06 0.00 0.00 0.00 0.00 53.44 54.11 2yum n ALA 48 Cb 0.59 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.33 -0.97 0.00 1.79 -1.95 -0.57 116.57 114.54 2yum h LYS 49 Ca 0.26 0.02 0.41 0.00 -2.18 0.00 0.00 60.65 59.16 2yum h LYS 49 Cb 0.48 0.08 -0.17 0.00 -1.58 0.00 0.00 32.23 31.03 2yum h LYS 49 CO -0.85 -0.22 0.53 1.04 -1.08 0.00 0.00 179.45 178.87 2yum n GLN 50 N -3.23 -0.06 -0.11 3.15 1.13 -0.54 0.17 117.38 117.89 2yum n GLN 50 Ca -0.04 1.32 -0.12 0.00 -1.94 0.00 0.00 57.00 56.22 2yum n GLN 50 Cb 0.15 -2.38 -0.03 0.00 0.11 0.00 0.00 30.24 28.09 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 1.29 -0.06 5.09 2.07 -0.46 -2.65 116.25 121.53 2yum h VAL 51 Ca 0.82 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2yum h VAL 51 Cb 2.18 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2yum h VAL 51 CO -0.73 0.45 -0.08 0.00 0.02 0.00 0.00 177.57 177.23 2yum h ALA 52 N 0.77 -0.03 -0.33 1.67 0.00 0.33 -1.44 119.26 120.24 2yum h ALA 52 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2yum h ALA 52 Cb 0.79 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2yum h ALA 52 CO 0.06 -0.55 0.14 0.77 0.00 0.00 0.00 179.25 179.67 2yum h SER 53 N -0.10 0.18 -1.00 0.00 0.02 -1.34 -2.10 113.55 109.22 2yum h SER 53 Ca 0.05 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2yum h SER 53 Cb 0.18 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 2yum h SER 53 CO -0.13 0.14 0.63 -0.61 -1.14 0.00 0.00 176.83 175.73 2yum h GLN 54 N 0.30 1.04 -0.56 3.45 5.75 -1.17 -1.84 115.11 122.07 2yum h GLN 54 Ca 0.14 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 2yum h GLN 54 Cb 0.09 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.35 2yum h GLN 54 CO -0.13 0.69 0.27 0.28 -2.65 0.00 0.00 178.83 177.29 2yum h VAL 55 N 1.07 0.90 -0.56 2.39 2.07 -0.57 -2.42 116.25 119.14 2yum h VAL 55 Ca 0.46 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.92 2yum h VAL 55 Cb 0.34 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.36 2yum h VAL 55 CO -0.22 0.09 -0.19 1.56 0.02 0.00 0.00 177.57 178.83 2yum h GLN 56 N 0.50 -0.05 -0.95 1.57 7.50 -1.12 0.66 115.11 123.23 2yum h GLN 56 Ca 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.37 2yum h GLN 56 Cb 0.21 0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 2yum h GLN 56 CO -0.20 -0.03 0.06 1.63 -1.50 0.00 0.00 178.83 178.78 2yum n LYS 57 N -5.41 1.58 0.00 1.46 4.01 -0.93 -1.95 118.16 116.92 2yum n LYS 57 Ca 0.06 -0.64 0.00 0.00 -0.51 0.00 0.00 58.31 57.22 2yum n LYS 57 Cb 0.32 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2yum n LYS 57 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2yum n TYR 58 N 0.14 0.00 -0.07 2.13 4.02 0.21 -4.68 117.16 118.91 2yum n TYR 58 Ca 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.82 2yum n TYR 58 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.96 0.00 -0.28 -0.72 3.01 -0.07 -4.52 117.46 112.92 2yum n PHE 59 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2yum n PHE 59 Cb 0.38 -0.51 0.11 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.52 1.25 -0.86 4.37 2.04 -1.57 -2.60 117.51 119.62 2yum h ILE 60 Ca -0.36 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 64.90 2yum h ILE 60 Cb 1.30 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 2yum h ILE 60 CO -0.22 0.31 0.47 0.50 0.00 0.00 0.00 178.15 179.22 2yum h LYS 61 N 1.14 0.69 0.52 2.37 3.64 -1.80 -2.91 116.57 120.22 2yum h LYS 61 Ca 0.27 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2yum h LYS 61 Cb 0.14 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2yum h LYS 61 CO -0.03 0.46 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.29 2yum h LEU 62 N 0.71 -0.59 -9.17 5.20 3.38 -1.70 -3.37 115.31 109.77 2yum h LEU 62 Ca 0.45 0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.80 2yum h LEU 62 Cb 0.57 0.15 0.12 0.00 0.09 0.00 0.00 40.66 41.59 2yum h LEU 62 CO -0.32 -0.33 -0.37 0.35 0.09 0.00 0.00 178.44 177.85 2yum n THR 63 N -4.37 1.86 -3.83 0.22 -2.24 -1.10 -1.06 114.28 103.76 2yum n THR 63 Ca -0.09 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 2yum n THR 63 Cb 0.27 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 2yum n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2yum n LYS 64 N 0.90 -0.95 -0.90 -0.78 5.02 -1.26 -4.71 118.16 115.49 2yum n LYS 64 Ca 0.14 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 2yum n LYS 64 Cb 0.30 -2.65 0.01 0.00 -0.02 0.00 0.00 35.03 32.66 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 -3.61 -2.67 -0.39 7.82 0.00 -0.22 -4.24 120.51 117.20 2yum n ALA 65 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2yum n ALA 65 Cb 0.50 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.82 0.86 3.72 0.00 0.00 -1.26 -5.09 105.19 105.24 2yum n GLY 66 Ca 0.06 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.94 5.25 -0.08 -0.61 1.09 -1.26 -5.04 121.20 118.61 2yum s ILE 67 Ca 0.00 0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 59.97 2yum s ILE 67 Cb 0.00 -3.71 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2yum s ILE 67 CO 0.00 0.35 1.51 -2.16 -0.10 0.00 0.00 174.94 174.54 2yum s PRO 68 N 0.60 4.21 0.11 2.79 0.04 -1.26 -5.01 135.00 136.47 2yum s PRO 68 Ca 0.20 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2yum s PRO 68 Cb -0.14 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.48 2yum s PRO 68 CO 0.07 -0.77 0.43 0.08 0.04 0.00 0.00 177.00 176.85 2yum s VAL 69 N 3.64 5.05 -0.20 -0.36 1.01 -1.26 -5.08 120.40 123.19 2yum s VAL 69 Ca 0.67 0.48 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2yum s VAL 69 Cb -0.30 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2yum s VAL 69 CO 0.25 0.23 -0.17 -0.94 0.00 0.00 0.00 175.10 174.46 2yum s SER 70 N -1.87 3.48 -0.33 3.32 1.04 -1.26 -5.02 113.70 113.06 2yum s SER 70 Ca 0.36 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 2yum s SER 70 Cb -0.14 -1.49 0.20 0.00 0.10 0.00 0.00 66.02 64.69 2yum s SER 70 CO 0.19 -0.05 1.10 -0.83 0.98 0.00 0.00 173.24 174.63 2yum s GLY 71 N 1.24 -1.79 -1.00 7.32 0.00 -1.26 -5.01 107.32 106.82 2yum s GLY 71 Ca 0.01 0.91 -0.24 0.00 0.00 0.00 0.00 44.72 45.40 2yum s GLY 71 CO -0.11 4.34 1.94 2.56 0.00 0.00 0.00 173.10 181.83 2yum s PRO 72 N 1.38 2.54 0.12 2.90 0.04 -1.26 -4.79 135.00 135.92 2yum s PRO 72 Ca 0.20 -0.61 -0.16 0.00 0.04 0.00 0.00 61.00 60.46 2yum s PRO 72 Cb 0.09 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 2yum s PRO 72 CO -0.13 -3.60 1.61 1.03 0.04 0.00 0.00 177.00 175.96 2yum h SER 73 N 10.72 0.55 -4.82 6.66 0.87 -2.03 -3.47 113.55 122.03 2yum h SER 73 Ca 0.14 -0.24 0.18 0.00 -1.23 0.00 0.00 61.79 60.64 2yum h SER 73 Cb 0.98 -0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 62.65 2yum h SER 73 CO 1.22 0.65 0.60 -0.55 -0.53 0.00 0.00 176.83 178.22 2yum s SER 74 N -5.97 -0.24 0.00 6.23 0.15 -1.26 -5.20 113.70 107.41 2yum s SER 74 Ca -0.13 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2yum s SER 74 Cb 0.09 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2yum s SER 74 CO 0.76 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.26