#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuk s SER 2 N 0.00 6.87 -0.05 1.61 0.15 -1.26 -4.95 113.70 116.07 2yuk s SER 2 Ca 0.00 -2.58 -0.02 0.00 0.70 0.00 0.00 55.95 54.04 2yuk s SER 2 Cb 0.00 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2yuk s SER 2 CO 0.00 -0.87 0.11 -0.44 1.20 0.00 0.00 173.24 173.25 2yuk s SER 3 N 3.12 -0.07 -0.43 5.45 0.01 -1.26 -5.08 113.70 115.44 2yuk s SER 3 Ca 0.37 0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.94 2yuk s SER 3 Cb -0.04 0.14 0.29 0.00 0.21 0.00 0.00 66.02 66.61 2yuk s SER 3 CO -0.05 -0.13 0.82 0.61 0.41 0.00 0.00 173.24 174.91 2yuk n GLY 4 N 4.01 1.70 3.48 3.44 0.00 -1.26 -5.12 105.19 111.44 2yuk n GLY 4 Ca -0.24 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2yuk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuk s SER 5 N -1.63 -0.59 0.16 1.61 0.15 -1.26 -5.18 113.70 106.95 2yuk s SER 5 Ca 0.32 0.37 -0.20 0.00 0.70 0.00 0.00 55.95 57.14 2yuk s SER 5 Cb 0.26 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 65.16 2yuk s SER 5 CO -0.13 -0.74 0.53 -0.44 1.20 0.00 0.00 173.24 173.67 2yuk s SER 6 N -1.89 -0.42 0.00 5.45 0.01 -1.26 -5.05 113.70 110.54 2yuk s SER 6 Ca -0.05 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2yuk s SER 6 Cb -0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2yuk s SER 6 CO -0.01 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2yuk n GLY 7 N -0.33 1.06 3.56 3.44 0.00 -1.26 -5.07 105.19 106.59 2yuk n GLY 7 Ca -0.15 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2yuk n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yuk s ASN 8 N 0.00 6.24 -0.03 1.61 -0.87 -1.26 -4.94 114.94 115.70 2yuk s ASN 8 Ca 0.00 -0.94 -0.13 0.00 -1.57 0.00 0.00 52.86 50.21 2yuk s ASN 8 Cb 0.00 -2.56 0.02 0.00 -0.02 0.00 0.00 41.25 38.69 2yuk s ASN 8 CO 0.00 -1.74 0.28 0.00 -2.57 0.00 0.00 177.10 173.07 2yuk s ALA 9 N 5.72 -0.71 -0.75 0.60 0.00 -1.26 -5.11 121.76 120.25 2yuk s ALA 9 Ca 0.44 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 2yuk s ALA 9 Cb -0.04 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.18 2yuk s ALA 9 CO 0.02 -0.24 0.94 -0.65 0.00 0.00 0.00 175.76 175.83 2yuk s GLN 10 N -1.11 3.29 -1.05 0.00 1.11 -1.26 -4.97 119.66 115.67 2yuk s GLN 10 Ca -0.12 -1.38 -0.13 0.00 0.01 0.00 0.00 55.36 53.74 2yuk s GLN 10 Cb -0.05 -4.49 0.21 0.00 -1.01 0.00 0.00 33.01 27.67 2yuk s GLN 10 CO 0.03 -1.70 1.15 0.50 0.01 0.00 0.00 175.29 175.28 2yuk s ARG 11 N 3.01 3.95 -1.25 2.91 6.06 -1.26 -4.95 118.95 127.41 2yuk s ARG 11 Ca 0.23 -2.62 -0.15 0.00 -2.50 0.00 0.00 55.73 50.69 2yuk s ARG 11 Cb -0.14 -4.75 0.13 0.00 0.06 0.00 0.00 34.95 30.25 2yuk s ARG 11 CO 0.01 -1.51 1.58 0.43 -2.50 0.00 0.00 175.30 173.32 2yuk n SER 12 N 4.53 5.09 -3.72 -2.12 7.64 -1.26 -4.86 113.62 118.92 2yuk n SER 12 Ca 0.26 -2.96 -0.29 0.00 1.01 0.00 0.00 58.87 56.89 2yuk n SER 12 Cb 0.44 -1.63 -0.12 0.00 -1.01 0.00 0.00 64.21 61.88 2yuk n SER 12 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2yuk s THR 13 N 2.44 1.69 0.15 0.44 -4.23 -1.26 -4.89 115.64 109.98 2yuk s THR 13 Ca 0.47 -3.10 0.00 0.00 -1.18 0.00 0.00 61.69 57.87 2yuk s THR 13 Cb 0.01 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2yuk s THR 13 CO 0.03 -0.98 0.00 0.18 -0.54 0.00 0.00 174.62 173.30 2yuk n LEU 14 N 2.95 0.39 -0.27 4.79 4.32 -1.26 -4.83 117.00 123.09 2yuk n LEU 14 Ca 0.15 0.24 -0.02 0.00 -0.02 0.00 0.00 56.01 56.36 2yuk n LEU 14 Cb 0.37 0.01 0.15 0.00 -1.62 0.00 0.00 43.42 42.34 2yuk n LEU 14 CO 0.23 -0.65 1.16 0.50 -1.22 0.00 0.00 177.39 177.41 2yuk h LYS 15 N 0.00 1.11 -0.66 3.23 3.64 -2.01 -2.90 116.57 118.98 2yuk h LYS 15 Ca 0.00 -0.12 0.12 0.00 -1.27 0.00 0.00 60.65 59.38 2yuk h LYS 15 Cb 0.13 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 31.60 2yuk h LYS 15 CO 0.00 0.81 -0.27 -1.49 -2.27 0.00 0.00 179.45 176.24 2yuk h TRP 16 N 1.12 -0.69 -0.99 1.91 4.06 -1.92 0.52 115.95 119.96 2yuk h TRP 16 Ca 0.28 0.07 0.24 0.00 2.06 0.00 0.00 58.89 61.54 2yuk h TRP 16 Cb 0.02 0.40 -0.08 0.00 -1.00 0.00 0.00 29.16 28.50 2yuk h TRP 16 CO 0.01 -0.35 0.64 1.49 -3.56 0.00 0.00 178.44 176.67 2yuk h GLU 17 N -0.09 0.41 0.16 0.49 4.81 -1.83 0.34 114.58 118.87 2yuk h GLU 17 Ca 0.28 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2yuk h GLU 17 Cb 0.54 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2yuk h GLU 17 CO -0.71 0.27 -0.08 0.87 -0.73 0.00 0.00 179.01 178.63 2yuk h LYS 18 N 0.42 -0.20 -0.63 1.92 1.57 -0.13 -3.27 116.57 116.24 2yuk h LYS 18 Ca 0.55 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.45 2yuk h LYS 18 Cb 1.35 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2yuk h LYS 18 CO -0.25 0.20 0.42 0.93 -0.57 0.00 0.00 179.45 180.19 2yuk h GLU 19 N -0.91 0.41 -0.71 3.15 4.39 -0.27 -0.31 114.58 120.33 2yuk h GLU 19 Ca -0.02 -0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.86 2yuk h GLU 19 Cb 0.50 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2yuk h GLU 19 CO 0.04 0.27 0.58 0.93 -1.16 0.00 0.00 179.01 179.66 2yuk h GLU 20 N 0.42 0.00 0.04 2.33 4.39 -0.41 0.31 114.58 121.67 2yuk h GLU 20 Ca 0.30 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.76 2yuk h GLU 20 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2yuk h GLU 20 CO -0.09 0.00 -1.03 0.00 -1.16 0.00 0.00 179.01 176.74 2yuk h ALA 21 N 1.52 0.31 0.00 3.43 0.00 -1.17 -3.13 119.26 120.22 2yuk h ALA 21 Ca 0.34 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2yuk h ALA 21 Cb 1.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2yuk h ALA 21 CO -0.00 0.89 0.00 -0.07 0.00 0.00 0.00 179.25 180.07 2yuk h LEU 22 N 0.15 0.00 0.00 0.00 3.38 -0.45 -3.47 115.31 114.92 2yuk h LEU 22 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2yuk h LEU 22 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2yuk h LEU 22 CO 0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2yuk n GLY 23 N -0.04 3.59 0.26 0.83 0.00 -0.96 -0.62 105.19 108.24 2yuk n GLY 23 Ca 0.02 0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.43 2yuk n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yuk h GLU 24 N 0.00 0.00 0.00 1.61 5.08 -1.88 0.30 114.58 119.69 2yuk h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yuk h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yuk h GLU 24 CO 0.00 0.00 -0.33 -1.33 -1.00 0.00 0.00 179.01 176.35 2yuk n MET 25 N -2.67 0.02 -1.34 2.33 2.81 0.21 -4.94 117.12 113.53 2yuk n MET 25 Ca -0.02 0.01 -0.52 0.00 -1.81 0.00 0.00 57.70 55.35 2yuk n MET 25 Cb 0.08 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.00 2yuk n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2yuk n ALA 26 N -1.52 -1.72 1.01 3.04 0.00 0.11 -4.76 120.51 116.66 2yuk n ALA 26 Ca 0.06 0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.94 2yuk n ALA 26 Cb 0.34 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2yuk n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yuk n THR 27 N 2.57 0.29 -4.42 0.00 -2.24 -1.26 -4.51 114.28 104.71 2yuk n THR 27 Ca 0.22 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 2yuk n THR 27 Cb -0.01 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 2yuk n THR 27 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2yuk s VAL 28 N -1.39 2.24 -0.03 2.28 1.01 -1.26 -4.48 120.40 118.76 2yuk s VAL 28 Ca 0.07 -2.25 -0.17 0.00 0.00 0.00 0.00 61.98 59.62 2yuk s VAL 28 Cb 0.05 -2.17 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2yuk s VAL 28 CO 0.03 -0.38 0.73 0.00 0.00 0.00 0.00 175.10 175.47 2yuk h ALA 29 N 2.59 -0.50 0.05 5.51 0.00 -1.88 -2.96 119.26 122.08 2yuk h ALA 29 Ca -0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2yuk h ALA 29 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2yuk h ALA 29 CO 0.57 -0.49 -0.02 -1.00 0.00 0.00 0.00 179.25 178.31 2yuk h PRO 30 N -1.08 -0.07 0.00 0.00 0.13 -1.94 -1.43 132.00 127.61 2yuk h PRO 30 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2yuk h PRO 30 Cb 0.46 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2yuk h PRO 30 CO 0.08 0.40 0.12 0.28 -0.23 0.00 0.00 178.00 178.65 2yuk h VAL 31 N -0.56 0.00 0.00 1.56 2.07 -1.92 -2.20 116.25 115.21 2yuk h VAL 31 Ca -0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 2yuk h VAL 31 Cb 0.49 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2yuk h VAL 31 CO 0.01 0.00 -1.83 -0.11 0.02 0.00 0.00 177.57 175.67 2yuk n LEU 32 N -2.37 1.90 -0.16 2.57 7.94 -1.12 -3.74 117.00 122.03 2yuk n LEU 32 Ca -0.02 0.39 -0.07 0.00 -1.11 0.00 0.00 56.01 55.20 2yuk n LEU 32 Cb 0.16 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.19 2yuk n LEU 32 CO 0.10 0.41 0.63 0.22 -1.11 0.00 0.00 177.39 177.64 2yuk h TYR 33 N -1.00 -0.95 0.40 1.96 5.03 -0.64 -1.95 116.97 119.82 2yuk h TYR 33 Ca -0.51 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 2yuk h TYR 33 Cb 1.44 0.49 -0.01 0.00 1.55 0.00 0.00 36.73 40.21 2yuk h TYR 33 CO 0.02 -0.39 -0.27 1.79 -1.32 0.00 0.00 178.16 177.99 2yuk h THR 34 N -0.21 0.44 -1.44 1.81 1.35 -1.71 0.36 112.91 113.52 2yuk h THR 34 Ca 0.20 0.00 0.48 0.00 -0.55 0.00 0.00 66.41 66.54 2yuk h THR 34 Cb 0.55 0.44 -0.13 0.00 -1.73 0.00 0.00 68.15 67.28 2yuk h THR 34 CO -0.62 0.00 0.94 0.78 -0.25 0.00 0.00 175.52 176.37 2yuk h ASN 35 N -0.65 0.19 0.00 5.36 2.35 -1.46 0.94 115.58 122.31 2yuk h ASN 35 Ca -0.04 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2yuk h ASN 35 Cb 0.54 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2yuk h ASN 35 CO 0.02 -0.22 -0.31 -0.38 -1.65 0.00 0.00 177.43 174.89 2yuk n ILE 36 N -4.64 0.84 -0.07 2.81 5.41 -0.84 -4.11 119.36 118.76 2yuk n ILE 36 Ca 0.40 0.33 -0.09 0.00 1.00 0.00 0.00 62.75 64.40 2yuk n ILE 36 Cb 1.59 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 38.47 2yuk n ILE 36 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2yuk h ASN 37 N -0.60 -1.03 -3.94 4.38 2.35 0.28 -3.27 115.58 113.76 2yuk h ASN 37 Ca 0.00 0.17 -0.74 0.00 -0.55 0.00 0.00 56.30 55.17 2yuk h ASN 37 Cb 0.31 0.46 -0.31 0.00 0.05 0.00 0.00 38.32 38.84 2yuk h ASN 37 CO 0.00 -0.33 -0.10 -0.36 -1.65 0.00 0.00 177.43 174.99 2yuk s PHE 38 N -6.00 3.64 0.20 1.19 0.40 0.32 -4.90 117.98 112.82 2yuk s PHE 38 Ca -0.15 -2.41 -0.04 0.00 -0.60 0.00 0.00 56.93 53.74 2yuk s PHE 38 Cb 0.12 -3.52 0.14 0.00 0.51 0.00 0.00 43.02 40.27 2yuk s PHE 38 CO 0.67 -0.91 1.55 -1.00 0.70 0.00 0.00 175.22 176.24 2yuk h PRO 39 N 7.28 0.65 -0.61 0.24 0.13 -1.70 -2.89 132.00 135.11 2yuk h PRO 39 Ca 0.06 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2yuk h PRO 39 Cb 0.98 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2yuk h PRO 39 CO 0.75 0.95 0.00 0.09 -0.23 0.00 0.00 178.00 179.56 2yuk n ASN 40 N -4.03 3.35 -0.32 1.44 3.02 -1.26 -4.50 115.26 112.96 2yuk n ASN 40 Ca -0.02 -2.30 0.08 0.00 -0.03 0.00 0.00 54.58 52.31 2yuk n ASN 40 Cb 0.53 -0.47 0.18 0.00 -0.61 0.00 0.00 39.78 39.41 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yuk h LEU 41 N 2.74 -0.64 -0.82 3.41 5.85 -1.87 0.57 115.31 124.55 2yuk h LEU 41 Ca 0.00 0.26 0.19 0.00 0.84 0.00 0.00 57.88 59.17 2yuk h LEU 41 Cb 1.06 0.50 -0.12 0.00 0.37 0.00 0.00 40.66 42.47 2yuk h LEU 41 CO 0.16 -0.30 0.28 0.07 -0.34 0.00 0.00 178.44 178.31 2yuk h LYS 42 N 0.02 0.32 0.87 1.25 2.10 -1.79 0.08 116.57 119.42 2yuk h LYS 42 Ca 0.48 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 59.07 2yuk h LYS 42 Cb 0.85 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.12 2yuk h LYS 42 CO -0.89 0.21 -0.42 0.93 -2.00 0.00 0.00 179.45 177.29 2yuk h GLU 43 N 0.33 -1.12 -0.94 0.07 4.39 -0.21 -1.32 114.58 115.78 2yuk h GLU 43 Ca 0.49 0.08 0.19 0.00 0.34 0.00 0.00 59.36 60.46 2yuk h GLU 43 Cb 0.89 0.25 -0.11 0.00 -0.10 0.00 0.00 28.75 29.68 2yuk h GLU 43 CO -0.53 -0.74 0.52 0.93 -1.16 0.00 0.00 179.01 178.02 2yuk h GLU 44 N -1.19 0.60 -2.97 2.33 3.07 -1.03 -3.32 114.58 112.08 2yuk h GLU 44 Ca -0.12 -0.04 -0.58 0.00 -0.50 0.00 0.00 59.36 58.12 2yuk h GLU 44 Cb 0.90 -0.14 -0.40 0.00 -0.84 0.00 0.00 28.75 28.27 2yuk h GLU 44 CO 0.20 0.40 -0.78 -0.06 -1.40 0.00 0.00 179.01 177.36 2yuk s PHE 45 N -5.88 1.27 0.12 4.33 0.40 -0.06 -4.99 117.98 113.17 2yuk s PHE 45 Ca -0.11 -1.78 -0.13 0.00 -0.60 0.00 0.00 56.93 54.30 2yuk s PHE 45 Cb 0.25 -1.39 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 2yuk s PHE 45 CO 0.79 -0.83 1.44 -1.00 0.70 0.00 0.00 175.22 176.33 2yuk h PRO 46 N 7.39 0.80 -6.38 0.24 0.13 -1.35 -3.40 132.00 129.43 2yuk h PRO 46 Ca -0.05 -0.42 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 2yuk h PRO 46 Cb 0.97 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 2yuk h PRO 46 CO 0.40 1.05 0.90 -0.51 -0.23 0.00 0.00 178.00 179.62 2yuk s ASP 47 N -6.66 6.80 0.14 1.44 1.01 -1.26 -4.93 116.67 113.20 2yuk s ASP 47 Ca -0.12 1.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.86 2yuk s ASP 47 Cb 0.10 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 2yuk s ASP 47 CO 0.85 -1.00 1.56 -0.25 0.21 0.00 0.00 175.17 176.54 2yuk h TRP 48 N 8.67 -1.45 -1.90 4.23 -0.00 -1.98 0.40 115.95 123.93 2yuk h TRP 48 Ca -0.23 0.07 0.55 0.00 -0.00 0.00 0.00 58.89 59.29 2yuk h TRP 48 Cb 1.07 0.69 -0.08 0.00 -0.00 0.00 0.00 29.16 30.84 2yuk h TRP 48 CO 0.87 -0.47 1.36 1.15 -0.00 0.00 0.00 178.44 181.35 2yuk h THR 49 N -0.39 0.04 0.03 2.65 2.02 -1.97 1.16 112.91 116.45 2yuk h THR 49 Ca 0.10 -0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.94 2yuk h THR 49 Cb 0.60 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2yuk h THR 49 CO -0.56 0.00 -2.08 0.41 0.37 0.00 0.00 175.52 173.66 2yuk n THR 50 N -3.99 1.59 0.09 3.16 -1.04 0.10 -4.13 114.28 110.07 2yuk n THR 50 Ca 0.43 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.05 61.58 2yuk n THR 50 Cb 1.95 -1.16 -0.08 0.00 -1.82 0.00 0.00 70.33 69.21 2yuk n THR 50 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2yuk h ARG 51 N 0.02 -0.25 -0.90 -2.82 2.43 0.49 -3.17 114.38 110.18 2yuk h ARG 51 Ca -0.43 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 58.99 2yuk h ARG 51 Cb 2.05 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 31.53 2yuk h ARG 51 CO 0.04 0.11 0.35 -0.24 -1.51 0.00 0.00 179.97 178.72 2yuk h VAL 52 N -0.67 0.40 -0.78 0.20 3.04 -0.54 0.52 116.25 118.43 2yuk h VAL 52 Ca -0.03 -0.11 0.11 0.00 -1.01 0.00 0.00 66.70 65.66 2yuk h VAL 52 Cb 0.48 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.76 2yuk h VAL 52 CO 0.04 0.06 0.51 0.11 -1.01 0.00 0.00 177.57 177.28 2yuk h LYS 53 N 0.32 0.62 0.52 4.17 1.57 -1.70 -2.86 116.57 119.20 2yuk h LYS 53 Ca 0.57 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 2yuk h LYS 53 Cb 1.13 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.31 2yuk h LYS 53 CO -0.58 0.41 -0.25 1.96 -0.57 0.00 0.00 179.45 180.42 2yuk h GLN 54 N 0.63 -0.67 -1.37 3.15 1.08 0.04 -3.10 115.11 114.87 2yuk h GLN 54 Ca 0.37 0.05 0.45 0.00 -1.45 0.00 0.00 58.65 58.06 2yuk h GLN 54 Cb 0.56 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 28.03 2yuk h GLN 54 CO -0.14 -0.45 0.92 -0.89 -0.95 0.00 0.00 178.83 177.32 2yuk n ILE 55 N -4.74 -0.16 0.29 2.54 5.41 -1.01 -0.13 119.36 121.55 2yuk n ILE 55 Ca -0.09 1.51 -0.12 0.00 1.00 0.00 0.00 62.75 65.06 2yuk n ILE 55 Cb 0.28 -2.49 -0.06 0.00 -0.71 0.00 0.00 39.64 36.66 2yuk n ILE 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuk h ALA 56 N 1.26 -0.95 -0.29 -1.39 0.00 -1.45 -0.70 119.26 115.74 2yuk h ALA 56 Ca 0.79 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.60 2yuk h ALA 56 Cb 2.75 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 20.77 2yuk h ALA 56 CO -0.30 -0.90 -0.12 1.57 0.00 0.00 0.00 179.25 179.51 2yuk h LYS 57 N -0.94 -0.06 -0.49 0.00 2.10 -0.49 0.14 116.57 116.83 2yuk h LYS 57 Ca -0.08 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.65 2yuk h LYS 57 Cb 0.58 0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.86 2yuk h LYS 57 CO 0.13 -0.04 0.14 -0.07 -2.00 0.00 0.00 179.45 177.61 2yuk h LEU 58 N -0.06 0.11 -0.60 7.07 3.38 -1.25 0.82 115.31 124.78 2yuk h LEU 58 Ca 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2yuk h LEU 58 Cb 0.29 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2yuk h LEU 58 CO -0.34 0.09 0.25 -0.25 0.09 0.00 0.00 178.44 178.29 2yuk h TRP 59 N 0.30 0.91 -0.80 1.13 2.91 -0.34 -2.73 115.95 117.33 2yuk h TRP 59 Ca 0.24 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 2yuk h TRP 59 Cb 0.28 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.62 2yuk h TRP 59 CO -0.18 0.71 0.34 0.00 -1.03 0.00 0.00 178.44 178.29 2yuk h ARG 60 N 0.83 1.18 -0.73 2.65 3.08 0.04 -2.72 114.38 118.71 2yuk h ARG 60 Ca 0.20 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2yuk h ARG 60 Cb 0.18 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 2yuk h ARG 60 CO -0.02 0.93 0.42 -0.22 -1.07 0.00 0.00 179.97 180.01 2yuk h LYS 61 N 1.16 0.74 -7.02 0.04 3.64 -0.56 -3.42 116.57 111.13 2yuk h LYS 61 Ca 0.27 -0.04 -0.54 0.00 -1.27 0.00 0.00 60.65 59.06 2yuk h LYS 61 Cb 0.18 -0.17 0.12 0.00 -0.41 0.00 0.00 32.23 31.95 2yuk h LYS 61 CO -0.03 0.49 0.62 0.00 -2.27 0.00 0.00 179.45 178.26 2yuk s ALA 62 N -6.08 2.98 0.35 5.00 0.00 -1.03 -5.00 121.76 117.99 2yuk s ALA 62 Ca -0.13 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 2yuk s ALA 62 Cb 0.17 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2yuk s ALA 62 CO 0.77 -1.21 0.69 -1.12 0.00 0.00 0.00 175.76 174.89 2yuk s SER 63 N -0.85 6.53 0.20 0.00 0.01 -1.26 -4.89 113.70 113.44 2yuk s SER 63 Ca 0.67 1.02 -0.20 0.00 1.31 0.00 0.00 55.95 58.76 2yuk s SER 63 Cb -0.40 -2.27 0.17 0.00 0.21 0.00 0.00 66.02 63.73 2yuk s SER 63 CO 0.49 -0.30 1.57 0.28 0.41 0.00 0.00 173.24 175.69 2yuk h SER 64 N 1.56 -1.29 -0.99 2.44 0.02 -1.94 1.05 113.55 114.39 2yuk h SER 64 Ca -0.47 0.26 0.29 0.00 -0.84 0.00 0.00 61.79 61.03 2yuk h SER 64 Cb 1.19 0.66 -0.04 0.00 0.14 0.00 0.00 62.40 64.34 2yuk h SER 64 CO 0.65 -0.30 0.71 0.06 -1.14 0.00 0.00 176.83 176.82 2yuk h GLN 65 N -0.10 0.01 0.13 3.45 3.07 -2.00 0.41 115.11 120.08 2yuk h GLN 65 Ca 0.28 -0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.74 2yuk h GLN 65 Cb 0.57 -0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.14 2yuk h GLN 65 CO -0.81 0.01 -1.23 1.49 0.09 0.00 0.00 178.83 178.37 2yuk h GLU 66 N 0.01 0.43 0.00 0.06 4.57 0.72 -3.22 114.58 117.15 2yuk h GLU 66 Ca 0.47 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2yuk h GLU 66 Cb 1.89 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.70 2yuk h GLU 66 CO -0.01 1.28 0.00 0.54 -1.18 0.00 0.00 179.01 179.64 2yuk n ARG 67 N -3.66 0.20 -0.36 1.92 1.74 0.10 -4.10 116.66 112.49 2yuk n ARG 67 Ca -0.11 0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 57.06 2yuk n ARG 67 Cb 1.00 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 2yuk n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yuk n ALA 68 N -1.72 -0.48 0.02 7.54 0.00 0.97 0.18 120.51 127.02 2yuk n ALA 68 Ca 0.06 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2yuk n ALA 68 Cb 0.40 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 2yuk n ALA 68 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2yuk h PRO 69 N 0.00 -0.08 0.00 0.00 0.13 -1.81 -2.71 132.00 127.53 2yuk h PRO 69 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2yuk h PRO 69 Cb 0.39 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2yuk h PRO 69 CO -0.84 0.37 0.04 1.88 -0.23 0.00 0.00 178.00 179.22 2yuk h TYR 70 N -0.58 0.00 0.14 1.56 0.05 -1.48 0.12 116.97 116.77 2yuk h TYR 70 Ca -0.01 0.00 -0.32 0.00 0.05 0.00 0.00 58.73 58.45 2yuk h TYR 70 Cb 0.49 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2yuk h TYR 70 CO 0.08 0.00 -1.64 0.28 -1.05 0.00 0.00 178.16 175.83 2yuk h VAL 71 N 0.00 1.04 0.01 -2.88 2.07 0.20 -3.27 116.25 113.41 2yuk h VAL 71 Ca 0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.84 2yuk h VAL 71 Cb 0.07 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2yuk h VAL 71 CO 0.00 0.82 -0.06 -0.61 0.02 0.00 0.00 177.57 177.74 2yuk h GLN 72 N 0.08 0.02 -0.67 1.57 5.75 -0.85 -3.32 115.11 117.69 2yuk h GLN 72 Ca -0.29 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.32 2yuk h GLN 72 Cb 2.05 0.01 -0.11 0.00 1.07 0.00 0.00 27.48 30.50 2yuk h GLN 72 CO 0.16 1.01 0.01 -0.22 -2.65 0.00 0.00 178.83 177.14 2yuk h LYS 73 N -0.94 0.12 -0.99 1.69 3.64 -1.03 0.22 116.57 119.27 2yuk h LYS 73 Ca -0.01 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 2yuk h LYS 73 Cb 1.04 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.74 2yuk h LYS 73 CO 0.01 0.08 0.61 0.00 -2.27 0.00 0.00 179.45 177.88 2yuk h ALA 74 N 1.61 1.80 -0.11 5.00 0.00 -1.69 0.22 119.26 126.10 2yuk h ALA 74 Ca 0.36 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2yuk h ALA 74 Cb 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2yuk h ALA 74 CO -0.57 -0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.36 2yuk h ARG 75 N 0.69 0.30 -0.46 0.00 3.08 -0.71 -3.15 114.38 114.12 2yuk h ARG 75 Ca 0.56 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 2yuk h ARG 75 Cb 0.98 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2yuk h ARG 75 CO -0.34 0.75 0.20 0.22 -1.07 0.00 0.00 179.97 179.72 2yuk h ASP 76 N -0.12 0.59 -0.64 7.04 1.82 -0.24 -2.12 116.42 122.75 2yuk h ASP 76 Ca 0.01 -0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.64 2yuk h ASP 76 Cb 0.71 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 2yuk h ASP 76 CO 0.04 0.53 0.42 0.78 -1.61 0.00 0.00 179.24 179.40 2yuk h ASN 77 N 0.65 0.60 -0.48 2.28 2.35 -0.58 -1.24 115.58 119.16 2yuk h ASN 77 Ca 0.16 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2yuk h ASN 77 Cb 0.11 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2yuk h ASN 77 CO -0.02 0.40 0.20 0.03 -1.65 0.00 0.00 177.43 176.39 2yuk h ARG 78 N 0.69 0.78 0.09 0.81 3.08 -1.36 -2.97 114.38 115.50 2yuk h ARG 78 Ca 0.27 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2yuk h ARG 78 Cb 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2yuk h ARG 78 CO -0.08 0.65 -0.04 0.00 -1.07 0.00 0.00 179.97 179.43 2yuk h ALA 79 N 1.45 -0.12 -0.99 0.04 0.00 -1.26 -2.91 119.26 115.48 2yuk h ALA 79 Ca 0.18 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.32 2yuk h ALA 79 Cb 0.18 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 2yuk h ALA 79 CO -0.01 -0.46 0.36 0.00 0.00 0.00 0.00 179.25 179.14 2yuk h ALA 80 N 0.55 1.78 0.24 0.00 0.00 -1.34 0.18 119.26 120.67 2yuk h ALA 80 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2yuk h ALA 80 Cb 0.29 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2yuk h ALA 80 CO 0.02 -0.77 -0.12 -0.07 0.00 0.00 0.00 179.25 178.31 2yuk h LEU 81 N 0.05 -0.28 -0.81 0.00 3.38 -1.55 -3.09 115.31 113.02 2yuk h LEU 81 Ca 0.74 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.57 2yuk h LEU 81 Cb 1.81 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 2yuk h LEU 81 CO -0.80 0.10 -0.46 -1.14 0.09 0.00 0.00 178.44 176.23 2yuk n ARG 82 N -5.08 -0.34 -0.18 1.13 0.63 0.60 0.80 116.66 114.23 2yuk n ARG 82 Ca -0.09 1.22 -0.01 0.00 -0.92 0.00 0.00 57.85 58.05 2yuk n ARG 82 Cb 0.25 -1.79 0.08 0.00 0.45 0.00 0.00 32.46 31.45 2yuk n ARG 82 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2yuk h ILE 83 N 0.00 0.69 -2.44 5.15 5.03 -1.56 -3.23 117.51 121.15 2yuk h ILE 83 Ca 0.14 -0.09 -0.74 0.00 -0.12 0.00 0.00 64.86 64.06 2yuk h ILE 83 Cb 0.34 0.42 -0.19 0.00 -3.03 0.00 0.00 36.82 34.36 2yuk h ILE 83 CO -0.76 0.05 1.09 0.21 -0.68 0.00 0.00 178.15 178.06 2yuk s ASN 84 N -5.31 6.99 -0.30 1.72 3.84 0.24 -4.89 114.94 117.24 2yuk s ASN 84 Ca -0.13 -2.84 -0.16 0.00 0.21 0.00 0.00 52.86 49.94 2yuk s ASN 84 Cb 0.16 -2.37 0.17 0.00 -0.55 0.00 0.00 41.25 38.66 2yuk s ASN 84 CO 0.73 -0.76 1.05 -0.75 -2.79 0.00 0.00 177.10 174.58 2yuk s LYS 85 N 1.46 0.26 -0.83 0.43 2.20 -1.22 -4.80 119.74 117.24 2yuk s LYS 85 Ca 0.38 0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 56.25 2yuk s LYS 85 Cb -0.04 0.24 -0.20 0.00 -1.51 0.00 0.00 37.83 36.32 2yuk s LYS 85 CO -0.03 -0.07 2.39 0.28 -0.36 0.00 0.00 175.35 177.55 2yuk n VAL 86 N 4.36 0.00 -1.41 4.02 0.31 -1.26 -4.72 118.33 119.62 2yuk n VAL 86 Ca -0.12 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.72 2yuk n VAL 86 Cb 0.55 -0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 2yuk n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yuk n GLN 87 N 7.65 0.03 -2.16 5.55 6.02 -1.26 -4.93 117.38 128.28 2yuk n GLN 87 Ca 0.59 0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 57.31 2yuk n GLN 87 Cb 0.02 -1.06 0.04 0.00 1.02 0.00 0.00 30.24 30.25 2yuk n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yuk s MET 88 N -0.92 2.89 -0.54 -1.09 0.23 -1.26 -5.05 119.30 113.55 2yuk s MET 88 Ca 0.66 0.21 0.04 0.00 -1.03 0.00 0.00 55.69 55.57 2yuk s MET 88 Cb -0.95 -2.16 0.14 0.00 -1.53 0.00 0.00 34.83 30.33 2yuk s MET 88 CO 0.56 -0.86 0.30 0.45 -2.03 0.00 0.00 175.02 173.45 2yuk s SER 89 N -4.33 4.26 0.00 -1.18 0.15 -1.26 -5.30 113.70 106.05 2yuk s SER 89 Ca 0.56 -3.11 0.18 0.00 0.70 0.00 0.00 55.95 54.27 2yuk s SER 89 Cb -0.11 -1.53 1.07 0.00 -1.71 0.00 0.00 66.02 63.73 2yuk s SER 89 CO 0.48 -0.21 1.47 0.59 1.20 0.00 0.00 173.24 176.77