#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 4.28 0.30 1.61 0.15 -1.26 -5.09 113.70 113.69 2yuk s SER 2 Ca 0.00 1.00 0.01 0.00 0.70 0.00 0.00 55.95 57.66 2yuk s SER 2 Cb 0.00 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 2yuk s SER 2 CO 0.00 -2.07 0.33 -0.55 1.20 0.00 0.00 173.24 172.15 2yuk s SER 3 N -4.22 0.95 0.06 5.45 0.15 -1.26 -5.18 113.70 109.65 2yuk s SER 3 Ca 0.62 -1.52 0.01 0.00 0.70 0.00 0.00 55.95 55.76 2yuk s SER 3 Cb -0.13 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2yuk s SER 3 CO 0.52 -1.10 0.06 0.61 1.20 0.00 0.00 173.24 174.53 2yuk n GLY 4 N -0.51 2.57 3.67 9.45 0.00 -1.26 -5.16 105.19 113.95 2yuk n GLY 4 Ca 0.03 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 2yuk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuk s SER 5 N -1.35 0.18 0.57 1.61 0.01 -1.26 -5.18 113.70 108.28 2yuk s SER 5 Ca 0.05 -1.09 0.05 0.00 1.31 0.00 0.00 55.95 56.26 2yuk s SER 5 Cb -0.00 0.71 0.07 0.00 0.21 0.00 0.00 66.02 67.00 2yuk s SER 5 CO 0.03 -1.37 0.79 -0.94 0.41 0.00 0.00 173.24 172.16 2yuk s SER 6 N -3.08 5.06 0.03 2.44 1.04 -1.26 -5.13 113.70 112.80 2yuk s SER 6 Ca 0.21 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.98 2yuk s SER 6 Cb -0.03 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.92 2yuk s SER 6 CO 0.12 -1.31 0.39 -0.83 0.98 0.00 0.00 173.24 172.60 2yuk s GLY 7 N -4.57 -0.25 0.34 7.32 0.00 -1.26 -5.13 107.32 103.76 2yuk s GLY 7 Ca 0.61 0.33 0.09 0.00 0.00 0.00 0.00 44.72 45.74 2yuk s GLY 7 CO 0.39 0.08 -0.09 -1.31 0.00 0.00 0.00 173.10 172.17 2yuk s ASN 8 N -1.85 3.59 -0.98 1.64 -0.87 -1.26 -5.07 114.94 110.14 2yuk s ASN 8 Ca -0.07 -1.20 -0.22 0.00 -1.57 0.00 0.00 52.86 49.81 2yuk s ASN 8 Cb -0.02 -0.32 0.08 0.00 -0.02 0.00 0.00 41.25 40.97 2yuk s ASN 8 CO -0.01 -0.22 1.32 0.00 -2.57 0.00 0.00 177.10 175.62 2yuk s ALA 9 N -2.67 2.96 0.12 0.60 0.00 -1.26 -4.82 121.76 116.69 2yuk s ALA 9 Ca 0.32 -2.42 -0.16 0.00 0.00 0.00 0.00 51.96 49.70 2yuk s ALA 9 Cb 0.03 -4.34 0.04 0.00 0.00 0.00 0.00 23.12 18.84 2yuk s ALA 9 CO 0.16 -3.37 0.41 -0.65 0.00 0.00 0.00 175.76 172.31 2yuk s GLN 10 N 4.14 1.07 -0.69 0.00 -0.21 -1.26 -5.11 119.66 117.60 2yuk s GLN 10 Ca 0.41 -0.69 -0.24 0.00 0.02 0.00 0.00 55.36 54.86 2yuk s GLN 10 Cb -0.02 0.47 0.06 0.00 1.00 0.00 0.00 33.01 34.52 2yuk s GLN 10 CO -0.09 -0.42 1.06 1.03 -2.12 0.00 0.00 175.29 174.75 2yuk s ARG 11 N -3.78 3.15 0.08 2.91 1.81 -1.26 -4.53 118.95 117.34 2yuk s ARG 11 Ca 0.03 -0.71 -0.26 0.00 -1.72 0.00 0.00 55.73 53.07 2yuk s ARG 11 Cb 0.02 -4.26 0.09 0.00 -0.45 0.00 0.00 34.95 30.35 2yuk s ARG 11 CO -0.12 -1.91 1.16 -1.54 -0.68 0.00 0.00 175.30 172.21 2yuk s SER 12 N 3.72 -0.01 0.38 0.23 1.04 -1.26 -5.02 113.70 112.78 2yuk s SER 12 Ca 0.26 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.37 2yuk s SER 12 Cb -0.14 0.32 0.85 0.00 0.10 0.00 0.00 66.02 67.16 2yuk s SER 12 CO 0.10 -0.64 1.93 0.71 0.98 0.00 0.00 173.24 176.32 2yuk h THR 13 N 2.00 0.91 -0.17 2.02 1.35 -2.01 0.61 112.91 117.61 2yuk h THR 13 Ca -0.26 -0.22 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 2yuk h THR 13 Cb 1.20 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2yuk h THR 13 CO 0.33 0.12 0.30 -0.07 -0.25 0.00 0.00 175.52 175.94 2yuk h LEU 14 N 0.63 0.00 0.16 3.87 3.38 -1.95 -0.57 115.31 120.83 2yuk h LEU 14 Ca 0.36 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.02 2yuk h LEU 14 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2yuk h LEU 14 CO -0.14 0.00 -1.55 0.50 0.09 0.00 0.00 178.44 177.35 2yuk h LYS 15 N 0.00 0.33 -0.96 1.13 1.63 -1.11 -3.34 116.57 114.25 2yuk h LYS 15 Ca 0.08 -0.57 0.19 0.00 -0.85 0.00 0.00 60.65 59.51 2yuk h LYS 15 Cb 0.68 0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 32.44 2yuk h LYS 15 CO -0.00 1.27 0.61 -1.49 -3.45 0.00 0.00 179.45 176.39 2yuk h TRP 16 N -0.09 0.81 -0.36 1.91 4.06 -1.02 0.31 115.95 121.57 2yuk h TRP 16 Ca -0.31 0.03 0.10 0.00 2.06 0.00 0.00 58.89 60.77 2yuk h TRP 16 Cb 1.94 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.83 2yuk h TRP 16 CO 0.12 0.20 0.29 1.49 -3.56 0.00 0.00 178.44 176.98 2yuk h GLU 17 N 0.60 0.00 0.00 0.49 4.81 -1.62 0.14 114.58 119.00 2yuk h GLU 17 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2yuk h GLU 17 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2yuk h GLU 17 CO -0.27 0.00 -0.11 0.87 -0.73 0.00 0.00 179.01 178.76 2yuk h LYS 18 N 0.00 0.00 -0.80 1.92 1.57 -0.58 -3.35 116.57 115.33 2yuk h LYS 18 Ca 0.17 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.15 2yuk h LYS 18 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 2yuk h LYS 18 CO -0.00 0.00 0.55 0.93 -0.57 0.00 0.00 179.45 180.36 2yuk h GLU 19 N -1.00 0.19 -0.88 3.15 4.39 -1.26 0.70 114.58 119.86 2yuk h GLU 19 Ca 0.00 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.80 2yuk h GLU 19 Cb 0.11 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 2yuk h GLU 19 CO 0.00 0.13 0.57 0.93 -1.16 0.00 0.00 179.01 179.47 2yuk h GLU 20 N 0.20 0.80 0.00 2.33 5.08 -0.86 0.45 114.58 122.58 2yuk h GLU 20 Ca 0.39 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2yuk h GLU 20 Cb 1.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2yuk h GLU 20 CO -0.08 0.53 -0.47 0.00 -1.00 0.00 0.00 179.01 177.99 2yuk h ALA 21 N 1.57 1.11 0.00 3.43 0.00 -0.98 -2.56 119.26 121.82 2yuk h ALA 21 Ca 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yuk h ALA 21 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2yuk h ALA 21 CO -0.18 0.58 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2yuk n LEU 22 N -3.80 0.37 0.00 0.00 4.77 0.10 -4.94 117.00 113.50 2yuk n LEU 22 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2yuk n LEU 22 Cb 0.51 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2yuk n LEU 22 CO 0.39 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2yuk n GLY 23 N 0.94 3.32 0.22 -0.72 0.00 -0.93 0.06 105.19 108.08 2yuk n GLY 23 Ca 0.05 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.58 1.61 5.08 -1.89 0.54 114.58 119.35 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 0.00 -1.33 -1.00 0.00 0.00 179.01 176.68 2yuk n MET 25 N -2.41 2.66 -1.67 2.33 2.81 0.11 -4.94 117.12 116.00 2yuk n MET 25 Ca -0.02 -1.98 -0.44 0.00 -1.81 0.00 0.00 57.70 53.45 2yuk n MET 25 Cb 0.20 -1.59 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 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 0.86 1.50 1.78 3.04 0.00 0.19 -4.83 120.51 123.05 2yuk n ALA 26 Ca 0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2yuk n ALA 26 Cb 0.58 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 5.10 0.00 -4.42 0.00 -2.24 -1.26 -4.44 114.28 107.01 2yuk n THR 27 Ca 0.20 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.73 2yuk n THR 27 Cb 0.36 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.91 2.60 -0.03 2.28 1.01 -1.26 -4.40 120.40 118.69 2yuk s VAL 28 Ca 0.00 -2.15 -0.19 0.00 0.00 0.00 0.00 61.98 59.64 2yuk s VAL 28 Cb 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 36.38 33.95 2yuk s VAL 28 CO 0.00 -0.27 0.79 0.00 0.00 0.00 0.00 175.10 175.62 2yuk h ALA 29 N 2.63 -0.51 0.03 5.51 0.00 -1.87 -2.95 119.26 122.10 2yuk h ALA 29 Ca -0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 29 Cb 1.23 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2yuk h ALA 29 CO 0.55 -0.51 -0.02 -1.00 0.00 0.00 0.00 179.25 178.27 2yuk h PRO 30 N -1.06 -0.04 0.00 0.00 0.13 -1.93 -1.45 132.00 127.65 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 0.49 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2yuk h PRO 30 CO 0.09 0.42 0.13 0.28 -0.23 0.00 0.00 178.00 178.69 2yuk h VAL 31 N -0.53 0.00 0.00 1.56 2.07 -1.90 -2.43 116.25 115.02 2yuk h VAL 31 Ca -0.00 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 2yuk h VAL 31 Cb 0.49 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2yuk h VAL 31 CO 0.01 0.00 -1.43 -0.11 0.02 0.00 0.00 177.57 176.05 2yuk n LEU 32 N -2.39 1.89 -0.27 2.57 7.94 -1.11 -3.66 117.00 121.97 2yuk n LEU 32 Ca -0.02 0.43 -0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2yuk n LEU 32 Cb 0.17 -0.87 0.07 0.00 0.53 0.00 0.00 43.42 43.31 2yuk n LEU 32 CO 0.10 0.12 0.67 0.22 -1.11 0.00 0.00 177.39 177.40 2yuk h TYR 33 N -1.00 -0.62 0.05 1.96 3.20 -0.80 -0.38 116.97 119.37 2yuk h TYR 33 Ca -0.33 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 2yuk h TYR 33 Cb 1.18 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2yuk h TYR 33 CO -0.10 -0.36 -0.02 1.79 -1.64 0.00 0.00 178.16 177.83 2yuk h THR 34 N -0.04 1.02 -1.25 1.81 1.35 -1.69 0.39 112.91 114.50 2yuk h THR 34 Ca 0.34 -0.22 0.41 0.00 -0.55 0.00 0.00 66.41 66.38 2yuk h THR 34 Cb 0.57 1.17 -0.13 0.00 -1.73 0.00 0.00 68.15 68.03 2yuk h THR 34 CO -0.79 0.06 0.79 0.78 -0.25 0.00 0.00 175.52 176.11 2yuk h ASN 35 N -0.16 0.29 0.00 5.36 2.35 -1.16 1.20 115.58 123.46 2yuk h ASN 35 Ca -0.01 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2yuk h ASN 35 Cb 0.14 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2yuk h ASN 35 CO 0.01 -0.16 -0.47 -0.38 -1.65 0.00 0.00 177.43 174.77 2yuk n ILE 36 N -4.74 1.07 -0.01 2.81 5.41 -0.87 -4.13 119.36 118.91 2yuk n ILE 36 Ca 0.35 0.27 -0.09 0.00 1.00 0.00 0.00 62.75 64.29 2yuk n ILE 36 Cb 1.33 -2.16 -0.03 0.00 -0.71 0.00 0.00 39.64 38.07 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 -0.75 -0.74 -3.79 4.38 2.35 0.10 -3.28 115.58 113.85 2yuk h ASN 37 Ca 0.00 0.12 -0.74 0.00 -0.55 0.00 0.00 56.30 55.13 2yuk h ASN 37 Cb 0.47 0.33 -0.32 0.00 0.05 0.00 0.00 38.32 38.86 2yuk h ASN 37 CO 0.00 -0.29 -0.06 -0.36 -1.65 0.00 0.00 177.43 175.07 2yuk s PHE 38 N -6.08 3.74 0.07 1.19 0.40 0.41 -4.90 117.98 112.82 2yuk s PHE 38 Ca -0.15 -2.60 -0.17 0.00 -0.60 0.00 0.00 56.93 53.40 2yuk s PHE 38 Cb 0.11 -3.46 -0.11 0.00 0.51 0.00 0.00 43.02 40.06 2yuk s PHE 38 CO 0.67 -0.87 1.39 -1.00 0.70 0.00 0.00 175.22 176.11 2yuk h PRO 39 N 6.91 0.54 -0.22 0.24 0.13 -1.65 -2.94 132.00 135.01 2yuk h PRO 39 Ca 0.09 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2yuk h PRO 39 Cb 0.93 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2yuk h PRO 39 CO 0.80 0.87 0.00 0.09 -0.23 0.00 0.00 178.00 179.53 2yuk n ASN 40 N -4.40 0.78 -0.31 1.44 3.02 -1.26 -4.32 115.26 110.21 2yuk n ASN 40 Ca -0.05 -2.02 -0.02 0.00 -0.03 0.00 0.00 54.58 52.46 2yuk n ASN 40 Cb 0.42 -0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.70 -1.27 -1.06 3.41 5.85 -1.87 0.62 115.31 121.69 2yuk h LEU 41 Ca 0.00 0.27 0.34 0.00 0.84 0.00 0.00 57.88 59.33 2yuk h LEU 41 Cb 0.23 0.67 -0.15 0.00 0.37 0.00 0.00 40.66 41.78 2yuk h LEU 41 CO 0.01 -0.29 0.60 0.07 -0.34 0.00 0.00 178.44 178.48 2yuk h LYS 42 N -0.06 0.27 0.53 1.25 2.10 -1.79 -1.11 116.57 117.75 2yuk h LYS 42 Ca 0.31 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.92 2yuk h LYS 42 Cb 0.58 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2yuk h LYS 42 CO -0.86 0.18 -0.25 0.93 -2.00 0.00 0.00 179.45 177.45 2yuk h GLU 43 N 0.28 -0.68 -0.95 0.07 4.39 -0.09 -2.03 114.58 115.58 2yuk h GLU 43 Ca 0.75 0.05 0.29 0.00 0.34 0.00 0.00 59.36 60.78 2yuk h GLU 43 Cb 1.80 0.15 -0.16 0.00 -0.10 0.00 0.00 28.75 30.44 2yuk h GLU 43 CO -0.59 -0.45 0.25 0.93 -1.16 0.00 0.00 179.01 177.99 2yuk h GLU 44 N -0.91 0.11 -2.99 2.33 3.07 -0.91 -3.25 114.58 112.04 2yuk h GLU 44 Ca -0.07 -0.01 -0.58 0.00 -0.50 0.00 0.00 59.36 58.20 2yuk h GLU 44 Cb 0.54 -0.02 -0.40 0.00 -0.84 0.00 0.00 28.75 28.03 2yuk h GLU 44 CO 0.12 0.07 -0.78 -0.06 -1.40 0.00 0.00 179.01 176.96 2yuk s PHE 45 N -5.86 1.27 0.07 4.33 0.40 -0.56 -5.00 117.98 112.64 2yuk s PHE 45 Ca -0.12 -1.77 -0.17 0.00 -0.60 0.00 0.00 56.93 54.27 2yuk s PHE 45 Cb 0.29 -1.40 -0.11 0.00 0.51 0.00 0.00 43.02 42.31 2yuk s PHE 45 CO 0.78 -0.83 1.39 -1.00 0.70 0.00 0.00 175.22 176.25 2yuk h PRO 46 N 7.43 0.53 -6.34 0.24 0.13 -1.41 -3.39 132.00 129.20 2yuk h PRO 46 Ca -0.05 -0.28 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 2yuk h PRO 46 Cb 0.98 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 46 CO 0.41 0.86 1.14 -0.51 -0.23 0.00 0.00 178.00 179.67 2yuk s ASP 47 N -6.34 6.27 0.11 1.44 1.01 -1.26 -4.88 116.67 113.01 2yuk s ASP 47 Ca -0.13 1.33 -0.24 0.00 0.71 0.00 0.00 52.55 54.22 2yuk s ASP 47 Cb 0.07 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 2yuk s ASP 47 CO 0.79 -1.40 1.41 -0.25 0.21 0.00 0.00 175.17 175.93 2yuk h TRP 48 N 11.17 -1.36 -1.56 4.23 -0.00 -1.98 0.83 115.95 127.28 2yuk h TRP 48 Ca -0.32 0.08 0.45 0.00 -0.00 0.00 0.00 58.89 59.10 2yuk h TRP 48 Cb 1.14 0.66 -0.06 0.00 -0.00 0.00 0.00 29.16 30.90 2yuk h TRP 48 CO 0.93 -0.33 1.29 1.15 -0.00 0.00 0.00 178.44 181.49 2yuk h THR 49 N -0.16 0.04 0.09 2.65 2.02 -1.97 0.79 112.91 116.38 2yuk h THR 49 Ca 0.09 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.92 2yuk h THR 49 Cb 0.38 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2yuk h THR 49 CO -0.58 0.00 -1.94 0.41 0.37 0.00 0.00 175.52 173.79 2yuk n THR 50 N -3.70 1.70 0.16 3.16 -1.04 0.25 -4.04 114.28 110.75 2yuk n THR 50 Ca 0.35 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 2yuk n THR 50 Cb 1.76 -1.76 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.17 -0.38 -0.84 -2.82 2.43 0.43 -3.15 114.38 109.89 2yuk h ARG 51 Ca -0.44 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2yuk h ARG 51 Cb 1.87 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 31.36 2yuk h ARG 51 CO -0.00 -0.09 -0.06 -0.24 -1.51 0.00 0.00 179.97 178.07 2yuk h VAL 52 N -0.67 0.20 -0.90 0.20 3.04 -0.46 0.73 116.25 118.40 2yuk h VAL 52 Ca -0.04 -0.02 0.15 0.00 -1.01 0.00 0.00 66.70 65.78 2yuk h VAL 52 Cb 0.47 0.15 -0.07 0.00 -2.01 0.00 0.00 31.29 29.83 2yuk h VAL 52 CO 0.07 0.01 0.58 0.11 -1.01 0.00 0.00 177.57 177.33 2yuk h LYS 53 N 0.05 0.67 0.55 4.17 1.57 -1.69 -2.75 116.57 119.15 2yuk h LYS 53 Ca 0.46 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 2yuk h LYS 53 Cb 0.81 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2yuk h LYS 53 CO -0.79 0.45 -0.26 1.96 -0.57 0.00 0.00 179.45 180.23 2yuk h GLN 54 N 0.70 -0.71 -1.35 3.15 1.08 0.49 -3.04 115.11 115.43 2yuk h GLN 54 Ca 0.46 0.05 0.43 0.00 -1.45 0.00 0.00 58.65 58.13 2yuk h GLN 54 Cb 0.74 0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 28.24 2yuk h GLN 54 CO -0.21 -0.47 0.92 -0.89 -0.95 0.00 0.00 178.83 177.22 2yuk n ILE 55 N -4.70 -0.11 0.21 2.54 5.41 -0.86 0.02 119.36 121.86 2yuk n ILE 55 Ca -0.09 1.36 -0.09 0.00 1.00 0.00 0.00 62.75 64.93 2yuk n ILE 55 Cb 0.29 -2.25 -0.04 0.00 -0.71 0.00 0.00 39.64 36.93 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 1.08 -0.72 -0.91 -1.39 0.00 -1.41 -0.57 119.26 115.35 2yuk h ALA 56 Ca 0.74 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.64 2yuk h ALA 56 Cb 2.67 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 20.61 2yuk h ALA 56 CO -0.22 -0.68 0.58 1.57 0.00 0.00 0.00 179.25 180.51 2yuk h LYS 57 N -0.88 0.83 0.00 0.00 5.09 -0.33 0.89 116.57 122.17 2yuk h LYS 57 Ca -0.06 -0.05 -0.10 0.00 0.09 0.00 0.00 60.65 60.53 2yuk h LYS 57 Cb 0.43 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 32.56 2yuk h LYS 57 CO 0.09 0.55 -0.47 -0.07 -2.09 0.00 0.00 179.45 177.46 2yuk h LEU 58 N 0.86 0.00 -0.06 7.07 3.38 -0.91 -2.82 115.31 122.82 2yuk h LEU 58 Ca 0.43 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.16 2yuk h LEU 58 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2yuk h LEU 58 CO -0.20 0.47 -1.06 -0.25 0.09 0.00 0.00 178.44 177.50 2yuk h TRP 59 N 0.00 0.61 0.44 1.13 2.91 0.77 -3.30 115.95 118.50 2yuk h TRP 59 Ca -0.00 -0.37 -0.02 0.00 1.13 0.00 0.00 58.89 59.63 2yuk h TRP 59 Cb 0.87 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 2yuk h TRP 59 CO 0.00 1.22 -0.21 0.00 -1.03 0.00 0.00 178.44 178.41 2yuk h ARG 60 N 0.19 -0.57 -0.91 2.65 2.47 -0.89 -3.03 114.38 114.30 2yuk h ARG 60 Ca -0.11 0.04 0.23 0.00 -1.26 0.00 0.00 59.98 58.88 2yuk h ARG 60 Cb 1.72 0.13 -0.16 0.00 -1.65 0.00 0.00 29.97 30.01 2yuk h ARG 60 CO 0.18 -0.31 0.00 -0.22 0.56 0.00 0.00 179.97 180.18 2yuk h LYS 61 N -0.73 0.05 -6.06 0.04 3.64 -1.62 -3.39 116.57 108.51 2yuk h LYS 61 Ca -0.06 -0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.63 2yuk h LYS 61 Cb 0.52 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2yuk h LYS 61 CO 0.10 0.03 1.25 0.00 -2.27 0.00 0.00 179.45 178.56 2yuk n ALA 62 N -3.10 0.70 -1.50 5.00 0.00 -1.15 -4.87 120.51 115.60 2yuk n ALA 62 Ca 0.19 0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.36 2yuk n ALA 62 Cb 0.63 -2.44 0.06 0.00 0.00 0.00 0.00 19.45 17.70 2yuk n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yuk n SER 63 N 8.26 -0.01 -0.26 0.00 7.64 -1.26 -4.63 113.62 123.35 2yuk n SER 63 Ca 0.36 0.73 0.06 0.00 1.01 0.00 0.00 58.87 61.04 2yuk n SER 63 Cb 0.20 -1.31 0.20 0.00 -1.01 0.00 0.00 64.21 62.29 2yuk n SER 63 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yuk h SER 64 N 0.17 0.24 0.48 6.43 0.02 -1.90 0.69 113.55 119.69 2yuk h SER 64 Ca -0.47 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2yuk h SER 64 Cb 1.37 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2yuk h SER 64 CO 0.48 0.06 0.00 0.06 -1.14 0.00 0.00 176.83 176.29 2yuk h GLN 65 N 0.41 0.00 0.12 3.45 -0.00 -2.01 -1.79 115.11 115.29 2yuk h GLN 65 Ca 0.44 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.79 2yuk h GLN 65 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.18 2yuk h GLN 65 CO -0.44 0.00 -1.49 1.49 -0.00 0.00 0.00 178.83 178.38 2yuk h GLU 66 N 0.00 0.25 0.00 0.06 4.57 0.06 -3.30 114.58 116.21 2yuk h GLU 66 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2yuk h GLU 66 Cb 0.24 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2yuk h GLU 66 CO 0.00 1.12 0.00 0.00 -1.18 0.00 0.00 179.01 178.95 2yuk h ARG 67 N 0.07 0.00 -0.70 1.92 3.08 -0.72 -3.36 114.38 114.66 2yuk h ARG 67 Ca -0.23 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.90 2yuk h ARG 67 Cb 2.01 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.97 2yuk h ARG 67 CO 0.17 0.00 -0.38 0.00 -1.07 0.00 0.00 179.97 178.69 2yuk n ALA 68 N -1.95 -0.36 0.02 0.04 0.00 -0.73 0.18 120.51 117.72 2yuk n ALA 68 Ca 0.05 0.62 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 2yuk n ALA 68 Cb 0.47 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.10 0.00 0.00 0.13 -1.83 -2.80 132.00 127.40 2yuk h PRO 69 Ca 0.15 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2yuk h PRO 69 Cb 0.32 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2yuk h PRO 69 CO -0.67 0.35 0.03 1.88 -0.23 0.00 0.00 178.00 179.36 2yuk h TYR 70 N -0.59 0.00 0.15 1.56 0.05 -1.25 0.22 116.97 117.11 2yuk h TYR 70 Ca -0.01 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.49 2yuk h TYR 70 Cb 0.50 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2yuk h TYR 70 CO 0.08 0.00 -1.34 0.28 -1.05 0.00 0.00 178.16 176.13 2yuk h VAL 71 N 0.00 1.15 0.11 -2.88 2.07 0.19 -3.29 116.25 113.61 2yuk h VAL 71 Ca 0.00 -2.48 -0.21 0.00 0.82 0.00 0.00 66.70 64.83 2yuk h VAL 71 Cb 0.06 2.87 0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2yuk h VAL 71 CO 0.00 0.75 -0.87 -0.61 0.02 0.00 0.00 177.57 176.85 2yuk h GLN 72 N -0.20 0.40 -0.55 1.57 5.75 -1.02 -3.32 115.11 117.73 2yuk h GLN 72 Ca -0.27 -0.58 0.11 0.00 -0.15 0.00 0.00 58.65 57.77 2yuk h GLN 72 Cb 1.84 0.20 -0.10 0.00 1.07 0.00 0.00 27.48 30.48 2yuk h GLN 72 CO 0.13 1.24 -0.11 -0.22 -2.65 0.00 0.00 178.83 177.21 2yuk h LYS 73 N -0.16 0.02 -0.74 1.69 3.64 -0.79 0.32 116.57 120.55 2yuk h LYS 73 Ca -0.14 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.38 2yuk h LYS 73 Cb 1.64 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.36 2yuk h LYS 73 CO 0.17 0.01 0.28 0.00 -2.27 0.00 0.00 179.45 177.63 2yuk h ALA 74 N 1.55 1.02 -0.28 5.00 0.00 -1.67 0.40 119.26 125.27 2yuk h ALA 74 Ca 0.27 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 2yuk h ALA 74 Cb 0.42 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2yuk h ALA 74 CO -0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.45 2yuk h ARG 75 N 0.41 0.52 -0.13 0.00 3.08 -1.12 -2.90 114.38 114.24 2yuk h ARG 75 Ca 0.41 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 2yuk h ARG 75 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2yuk h ARG 75 CO -0.41 0.69 -0.14 0.22 -1.07 0.00 0.00 179.97 179.25 2yuk h ASP 76 N 0.29 0.20 -0.41 7.04 1.82 0.05 -2.37 116.42 123.04 2yuk h ASP 76 Ca 0.08 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2yuk h ASP 76 Cb 0.47 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 2yuk h ASP 76 CO 0.02 0.36 0.27 0.78 -1.61 0.00 0.00 179.24 179.06 2yuk h ASN 77 N 0.20 0.47 -0.26 2.28 2.35 -0.04 -1.54 115.58 119.04 2yuk h ASN 77 Ca 0.04 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2yuk h ASN 77 Cb 0.38 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2yuk h ASN 77 CO 0.02 0.35 -0.00 0.03 -1.65 0.00 0.00 177.43 176.18 2yuk h ARG 78 N 0.56 0.57 0.01 0.81 3.08 -1.37 -3.04 114.38 114.99 2yuk h ARG 78 Ca 0.15 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2yuk h ARG 78 Cb -0.06 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2yuk h ARG 78 CO -0.03 0.60 -0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2yuk h ALA 79 N 1.46 -0.01 -0.96 0.04 0.00 -1.35 -3.13 119.26 115.32 2yuk h ALA 79 Ca 0.11 -0.20 0.35 0.00 0.00 0.00 0.00 54.91 55.18 2yuk h ALA 79 Cb 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 2yuk h ALA 79 CO 0.01 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.29 2yuk n ALA 80 N -2.30 0.81 0.15 0.00 0.00 -1.05 0.15 120.51 118.27 2yuk n ALA 80 Ca -0.08 1.00 -0.14 0.00 0.00 0.00 0.00 53.44 54.22 2yuk n ALA 80 Cb 0.21 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 2yuk n ALA 80 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yuk h LEU 81 N 0.00 -0.31 -0.75 0.00 3.38 -1.59 -3.08 115.31 112.96 2yuk h LEU 81 Ca 0.73 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.61 2yuk h LEU 81 Cb 1.81 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.54 2yuk h LEU 81 CO -0.80 -0.01 -0.48 -0.09 0.09 0.00 0.00 178.44 177.15 2yuk h ARG 82 N -0.63 -0.04 -0.26 1.13 2.43 -0.27 -1.84 114.38 114.90 2yuk h ARG 82 Ca -0.04 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2yuk h ARG 82 Cb 0.45 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2yuk h ARG 82 CO 0.06 -0.03 -0.32 0.82 -1.51 0.00 0.00 179.97 179.00 2yuk h ILE 83 N -0.04 0.00 -0.38 1.20 5.03 -1.53 -3.39 117.51 118.39 2yuk h ILE 83 Ca 0.12 0.00 -0.74 0.00 -0.12 0.00 0.00 64.86 64.12 2yuk h ILE 83 Cb 0.35 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.11 2yuk h ILE 83 CO -0.73 0.00 1.33 0.59 -0.68 0.00 0.00 178.15 178.66 2yuk n ASN 84 N -4.21 1.22 -3.16 1.72 3.02 -0.69 -4.77 115.26 108.38 2yuk n ASN 84 Ca -0.02 0.61 -0.29 0.00 -0.03 0.00 0.00 54.58 54.86 2yuk n ASN 84 Cb 0.19 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 38.35 2yuk n ASN 84 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2yuk n LYS 85 N 7.62 0.00 -3.62 3.52 2.85 -1.26 -4.95 118.16 122.31 2yuk n LYS 85 Ca 0.50 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.68 2yuk n LYS 85 Cb 0.05 -0.75 -0.06 0.00 -0.65 0.00 0.00 35.03 33.62 2yuk n LYS 85 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2yuk s VAL 86 N -1.49 0.00 -0.29 0.58 0.11 -1.26 -5.04 120.40 113.01 2yuk s VAL 86 Ca 0.42 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.44 2yuk s VAL 86 Cb -0.36 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.57 2yuk s VAL 86 CO 0.50 0.00 2.51 0.00 -3.33 0.00 0.00 175.10 174.78 2yuk n GLN 87 N 1.48 1.96 -3.41 1.54 1.13 -1.26 -4.92 117.38 113.89 2yuk n GLN 87 Ca -0.10 -1.60 -0.38 0.00 -1.94 0.00 0.00 57.00 52.98 2yuk n GLN 87 Cb 0.57 -1.79 -0.06 0.00 0.11 0.00 0.00 30.24 29.07 2yuk n GLN 87 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 2yuk s MET 88 N -1.20 4.04 0.22 -1.09 1.75 -1.26 -5.09 119.30 116.68 2yuk s MET 88 Ca 0.43 0.52 0.08 0.00 -1.25 0.00 0.00 55.69 55.46 2yuk s MET 88 Cb 0.28 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.65 2yuk s MET 88 CO -0.08 0.63 -0.13 0.45 -0.65 0.00 0.00 175.02 175.24 2yuk s SER 89 N -0.93 2.64 0.00 1.11 0.15 -1.26 -5.27 113.70 110.13 2yuk s SER 89 Ca 0.26 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2yuk s SER 89 Cb -0.17 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 2yuk s SER 89 CO 0.15 -0.20 0.00 -3.20 1.20 0.00 0.00 173.24 171.19