#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 -0.58 0.10 1.61 0.01 -1.26 -5.06 113.70 108.51 2yuk s SER 2 Ca 0.00 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.38 2yuk s SER 2 Cb 0.00 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2yuk s SER 2 CO 0.00 -0.79 1.18 -1.20 0.41 0.00 0.00 173.24 172.84 2yuk n SER 3 N 0.25 -0.65 0.00 2.44 7.64 -1.26 -4.91 113.62 117.13 2yuk n SER 3 Ca -0.18 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2yuk n SER 3 Cb 0.61 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2yuk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuk n GLY 4 N -1.15 1.64 3.80 0.23 0.00 -1.26 -5.04 105.19 103.40 2yuk n GLY 4 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.00 -0.20 0.46 1.61 0.15 -1.26 -5.17 113.70 105.29 2yuk s SER 5 Ca 0.00 -0.51 -0.05 0.00 0.70 0.00 0.00 55.95 56.09 2yuk s SER 5 Cb 0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2yuk s SER 5 CO 0.00 -1.09 0.76 -0.55 1.20 0.00 0.00 173.24 173.55 2yuk s SER 6 N -2.95 6.29 0.00 5.45 0.15 -1.26 -5.05 113.70 116.33 2yuk s SER 6 Ca 0.12 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2yuk s SER 6 Cb -0.03 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2yuk s SER 6 CO 0.04 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2yuk n GLY 7 N -2.11 0.21 0.38 9.45 0.00 -1.26 -5.06 105.19 106.81 2yuk n GLY 7 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 2yuk n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yuk h ASN 8 N 0.00 -0.81 -0.62 1.61 7.08 -1.96 -3.25 115.58 117.62 2yuk h ASN 8 Ca 0.00 0.03 0.06 0.00 -3.08 0.00 0.00 56.30 53.30 2yuk h ASN 8 Cb 0.00 0.21 -0.07 0.00 -2.08 0.00 0.00 38.32 36.38 2yuk h ASN 8 CO 0.00 -0.53 -0.37 0.00 -2.08 0.00 0.00 177.43 174.45 2yuk n ALA 9 N -2.55 -0.40 -1.89 4.14 0.00 -1.26 -4.16 120.51 114.39 2yuk n ALA 9 Ca -0.12 0.53 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2yuk n ALA 9 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2yuk n ALA 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2yuk s GLN 10 N -5.07 4.19 0.83 0.00 -1.52 -1.23 -4.92 119.66 111.94 2yuk s GLN 10 Ca -0.07 2.38 -0.16 0.00 -1.95 0.00 0.00 55.36 55.55 2yuk s GLN 10 Cb 0.07 -3.52 -0.14 0.00 -0.22 0.00 0.00 33.01 29.20 2yuk s GLN 10 CO 0.39 -0.73 -0.60 2.89 -0.25 0.00 0.00 175.29 176.98 2yuk n ARG 11 N 5.32 0.00 -2.92 2.91 0.00 -1.26 -4.89 116.66 115.82 2yuk n ARG 11 Ca 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.94 2yuk n ARG 11 Cb 0.40 -0.94 0.01 0.00 -0.00 0.00 0.00 32.46 31.93 2yuk n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2yuk n SER 12 N 3.06 -1.46 -4.36 2.89 2.88 -1.26 -5.02 113.62 110.36 2yuk n SER 12 Ca 0.00 -2.11 -0.45 0.00 -1.33 0.00 0.00 58.87 54.98 2yuk n SER 12 Cb 0.51 2.46 -0.00 0.00 -0.75 0.00 0.00 64.21 66.43 2yuk n SER 12 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2yuk s THR 13 N -2.44 5.83 -0.02 2.46 -4.23 -1.26 -4.69 115.64 111.29 2yuk s THR 13 Ca 0.12 -3.22 -0.03 0.00 -1.18 0.00 0.00 61.69 57.38 2yuk s THR 13 Cb -0.03 -4.64 -0.02 0.00 1.34 0.00 0.00 72.50 69.15 2yuk s THR 13 CO 0.09 -1.24 -0.08 0.18 -0.54 0.00 0.00 174.62 173.04 2yuk n LEU 14 N 3.25 0.74 -0.35 4.79 4.32 -1.26 -4.56 117.00 123.95 2yuk n LEU 14 Ca 0.25 0.11 0.22 0.00 -0.02 0.00 0.00 56.01 56.57 2yuk n LEU 14 Cb 0.40 -0.27 0.46 0.00 -1.62 0.00 0.00 43.42 42.40 2yuk n LEU 14 CO 0.48 -0.16 1.17 0.11 -1.22 0.00 0.00 177.39 177.76 2yuk h LYS 15 N -0.21 0.41 0.95 3.23 1.79 -2.01 -1.34 116.57 119.39 2yuk h LYS 15 Ca -0.10 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 2yuk h LYS 15 Cb 0.79 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2yuk h LYS 15 CO -0.06 0.27 -0.48 -1.49 -1.08 0.00 0.00 179.45 176.61 2yuk h TRP 16 N 0.42 -1.25 -1.40 -1.35 4.06 -1.93 -0.45 115.95 114.06 2yuk h TRP 16 Ca 0.68 -0.03 0.48 0.00 2.06 0.00 0.00 58.89 62.08 2yuk h TRP 16 Cb 1.53 0.42 -0.14 0.00 -1.00 0.00 0.00 29.16 29.97 2yuk h TRP 16 CO -0.01 -0.76 0.90 -1.91 -3.56 0.00 0.00 178.44 173.10 2yuk n GLU 17 N -5.58 -0.04 0.00 0.49 2.13 -0.52 0.65 120.64 117.78 2yuk n GLU 17 Ca -0.16 1.26 -0.05 0.00 0.66 0.00 0.00 57.16 58.86 2yuk n GLU 17 Cb 0.52 -2.49 -0.04 0.00 0.27 0.00 0.00 31.44 29.71 2yuk n GLU 17 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2yuk h LYS 18 N 0.00 -0.13 -0.01 5.31 1.79 -1.29 -3.28 116.57 118.96 2yuk h LYS 18 Ca 0.89 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.37 2yuk h LYS 18 Cb 2.87 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 33.55 2yuk h LYS 18 CO -0.46 0.12 0.16 0.93 -1.08 0.00 0.00 179.45 179.11 2yuk h GLU 19 N -1.01 0.00 0.00 3.15 4.39 0.90 0.11 114.58 122.12 2yuk h GLU 19 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2yuk h GLU 19 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2yuk h GLU 19 CO 0.02 0.00 -0.04 0.93 -1.16 0.00 0.00 179.01 178.77 2yuk h GLU 20 N 0.00 0.00 0.00 2.33 4.39 0.16 -2.24 114.58 119.22 2yuk h GLU 20 Ca 0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 2yuk h GLU 20 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2yuk h GLU 20 CO -0.00 0.04 -1.55 0.00 -1.16 0.00 0.00 179.01 176.34 2yuk n ALA 21 N -2.13 2.07 0.78 3.43 0.00 0.38 -3.93 120.51 121.11 2yuk n ALA 21 Ca -0.01 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 52.97 2yuk n ALA 21 Cb 0.23 -0.86 0.51 0.00 0.00 0.00 0.00 19.45 19.32 2yuk n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuk n LEU 22 N -2.77 0.30 0.00 0.00 4.77 -0.87 -4.95 117.00 113.49 2yuk n LEU 22 Ca -0.10 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2yuk n LEU 22 Cb 0.81 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2yuk n LEU 22 CO 0.43 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2yuk n GLY 23 N 1.15 2.81 0.12 -0.72 0.00 -1.07 0.04 105.19 107.51 2yuk n GLY 23 Ca 0.06 0.32 0.09 0.00 0.00 0.00 0.00 46.02 46.48 2yuk n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yuk n GLU 24 N 8.41 0.12 -0.36 1.61 1.02 -1.26 -0.69 120.64 129.48 2yuk n GLU 24 Ca 0.00 0.55 0.08 0.00 -0.02 0.00 0.00 57.16 57.77 2yuk n GLU 24 Cb 0.00 -1.83 0.26 0.00 -0.02 0.00 0.00 31.44 29.85 2yuk n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2yuk n MET 25 N -2.07 2.63 -1.69 3.49 2.81 0.11 -4.95 117.12 117.45 2yuk n MET 25 Ca -0.00 -2.11 -0.44 0.00 -1.81 0.00 0.00 57.70 53.34 2yuk n MET 25 Cb 0.07 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 30.99 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 1.03 1.97 0.62 3.04 0.00 0.13 -4.85 120.51 122.46 2yuk n ALA 26 Ca 0.19 0.37 0.01 0.00 0.00 0.00 0.00 53.44 54.00 2yuk n ALA 26 Cb 0.57 -2.50 0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 4.25 0.66 -4.27 0.00 -2.24 -1.26 -4.53 114.28 106.88 2yuk n THR 27 Ca 0.18 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 2yuk n THR 27 Cb 0.34 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.25 1.44 -0.03 2.28 1.01 -1.26 -4.64 120.40 117.95 2yuk s VAL 28 Ca 0.11 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.03 2yuk s VAL 28 Cb 0.08 -1.69 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 2yuk s VAL 28 CO 0.03 -0.47 0.85 0.00 0.00 0.00 0.00 175.10 175.51 2yuk h ALA 29 N 3.26 -0.50 -0.10 5.51 0.00 -1.88 -2.65 119.26 122.91 2yuk h ALA 29 Ca -0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2yuk h ALA 29 Cb 1.20 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yuk h ALA 29 CO 0.54 -0.51 -0.09 -1.00 0.00 0.00 0.00 179.25 178.18 2yuk h PRO 30 N -1.03 0.23 0.00 0.00 0.13 -1.91 -1.35 132.00 128.07 2yuk h PRO 30 Ca -0.05 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2yuk h PRO 30 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2yuk h PRO 30 CO 0.08 0.65 0.00 0.28 -0.23 0.00 0.00 178.00 178.78 2yuk h VAL 31 N -0.18 0.00 0.03 1.56 2.07 -1.90 -2.63 116.25 115.20 2yuk h VAL 31 Ca 0.02 -0.06 -0.31 0.00 0.82 0.00 0.00 66.70 67.16 2yuk h VAL 31 Cb 0.60 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2yuk h VAL 31 CO 0.02 0.00 -1.74 -0.11 0.02 0.00 0.00 177.57 175.76 2yuk n LEU 32 N -2.60 2.12 -0.02 2.57 7.94 -1.00 -3.63 117.00 122.39 2yuk n LEU 32 Ca -0.02 0.32 -0.12 0.00 -1.11 0.00 0.00 56.01 55.09 2yuk n LEU 32 Cb 0.08 -0.97 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 2yuk n LEU 32 CO 0.15 0.50 0.60 0.22 -1.11 0.00 0.00 177.39 177.75 2yuk h TYR 33 N -0.70 -1.14 -0.01 1.96 5.03 -0.89 -2.30 116.97 118.92 2yuk h TYR 33 Ca -0.45 0.05 0.02 0.00 2.58 0.00 0.00 58.73 60.93 2yuk h TYR 33 Cb 1.56 0.53 -0.02 0.00 1.55 0.00 0.00 36.73 40.34 2yuk h TYR 33 CO 0.06 -0.46 -0.11 1.79 -1.32 0.00 0.00 178.16 178.12 2yuk h THR 34 N -0.45 0.73 -1.51 1.81 1.35 -1.72 0.32 112.91 113.44 2yuk h THR 34 Ca 0.09 0.00 0.46 0.00 -0.55 0.00 0.00 66.41 66.41 2yuk h THR 34 Cb 0.61 0.73 -0.09 0.00 -1.73 0.00 0.00 68.15 67.66 2yuk h THR 34 CO -0.41 0.00 1.04 0.78 -0.25 0.00 0.00 175.52 176.68 2yuk h ASN 35 N -0.18 0.13 0.00 5.36 2.35 -1.49 1.09 115.58 122.84 2yuk h ASN 35 Ca 0.04 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2yuk h ASN 35 Cb 0.23 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2yuk h ASN 35 CO -0.11 -0.07 -0.42 -0.38 -1.65 0.00 0.00 177.43 174.79 2yuk n ILE 36 N -4.33 0.86 -0.06 2.81 5.41 -0.65 -4.20 119.36 119.19 2yuk n ILE 36 Ca 0.37 0.31 -0.07 0.00 1.00 0.00 0.00 62.75 64.36 2yuk n ILE 36 Cb 1.57 -2.02 -0.01 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 -0.59 -0.56 -3.78 4.38 2.35 -0.04 -3.27 115.58 114.07 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 0.42 0.29 -0.32 0.00 0.05 0.00 0.00 38.32 38.77 2yuk h ASN 37 CO 0.00 -0.21 -0.05 -0.36 -1.65 0.00 0.00 177.43 175.16 2yuk s PHE 38 N -6.14 3.76 0.20 1.19 0.40 0.37 -4.89 117.98 112.87 2yuk s PHE 38 Ca -0.14 -2.61 -0.03 0.00 -0.60 0.00 0.00 56.93 53.55 2yuk s PHE 38 Cb 0.12 -3.47 0.16 0.00 0.51 0.00 0.00 43.02 40.34 2yuk s PHE 38 CO 0.69 -0.87 1.56 -1.00 0.70 0.00 0.00 175.22 176.30 2yuk h PRO 39 N 6.90 0.63 -0.50 0.24 0.13 -1.67 -2.83 132.00 134.90 2yuk h PRO 39 Ca 0.09 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 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 0.93 0.00 0.09 -0.23 0.00 0.00 178.00 179.59 2yuk n ASN 40 N -4.03 2.37 -0.25 1.44 3.02 -1.26 -4.47 115.26 112.08 2yuk n ASN 40 Ca -0.02 -2.14 -0.10 0.00 -0.03 0.00 0.00 54.58 52.29 2yuk n ASN 40 Cb 0.53 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 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 2.07 -1.77 -0.85 3.41 5.85 -1.85 -0.87 115.31 121.31 2yuk h LEU 41 Ca 0.00 0.27 0.10 0.00 0.84 0.00 0.00 57.88 59.09 2yuk h LEU 41 Cb 0.71 0.78 -0.11 0.00 0.37 0.00 0.00 40.66 42.41 2yuk h LEU 41 CO 0.07 -0.33 -0.44 0.29 -0.34 0.00 0.00 178.44 177.69 2yuk n LYS 42 N -5.37 -0.32 0.35 1.25 4.01 -1.26 -0.45 118.16 116.38 2yuk n LYS 42 Ca 0.01 1.29 -0.16 0.00 -0.51 0.00 0.00 58.31 58.94 2yuk n LYS 42 Cb 0.33 -1.91 -0.08 0.00 -0.51 0.00 0.00 35.03 32.86 2yuk n LYS 42 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2yuk h GLU 43 N 0.00 -0.96 -0.99 1.97 4.39 -1.55 -2.06 114.58 115.39 2yuk h GLU 43 Ca 0.19 0.07 0.36 0.00 0.34 0.00 0.00 59.36 60.32 2yuk h GLU 43 Cb 0.40 0.22 -0.17 0.00 -0.10 0.00 0.00 28.75 29.10 2yuk h GLU 43 CO -0.82 -0.64 0.41 0.93 -1.16 0.00 0.00 179.01 177.74 2yuk h GLU 44 N -1.00 0.05 -2.98 2.33 5.08 -0.16 -3.20 114.58 114.71 2yuk h GLU 44 Ca -0.09 -0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 2yuk h GLU 44 Cb 0.81 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.65 2yuk h GLU 44 CO 0.07 0.04 -0.78 -0.06 -1.00 0.00 0.00 179.01 177.27 2yuk s PHE 45 N -5.67 1.27 -0.02 4.33 0.40 0.41 -5.00 117.98 113.69 2yuk s PHE 45 Ca -0.10 -1.77 -0.25 0.00 -0.60 0.00 0.00 56.93 54.21 2yuk s PHE 45 Cb 0.32 -1.39 -0.20 0.00 0.51 0.00 0.00 43.02 42.26 2yuk s PHE 45 CO 0.78 -0.83 1.23 -1.00 0.70 0.00 0.00 175.22 176.10 2yuk h PRO 46 N 7.42 -0.06 -6.26 0.24 0.13 -1.38 -3.41 132.00 128.68 2yuk h PRO 46 Ca -0.05 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.53 2yuk h PRO 46 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2yuk h PRO 46 CO 0.41 0.41 1.17 -0.51 -0.23 0.00 0.00 178.00 179.24 2yuk s ASP 47 N -5.61 6.44 0.09 1.44 1.11 -1.26 -4.87 116.67 114.00 2yuk s ASP 47 Ca -0.15 2.18 -0.27 0.00 0.18 0.00 0.00 52.55 54.48 2yuk s ASP 47 Cb 0.02 -2.53 -0.11 0.00 1.07 0.00 0.00 42.92 41.36 2yuk s ASP 47 CO 0.64 -1.12 1.44 -0.25 1.18 0.00 0.00 175.17 177.06 2yuk h TRP 48 N 10.55 -1.25 -0.67 4.23 -0.00 -1.98 0.39 115.95 127.21 2yuk h TRP 48 Ca -0.41 0.04 0.19 0.00 -0.00 0.00 0.00 58.89 58.72 2yuk h TRP 48 Cb 1.19 0.54 -0.03 0.00 -0.00 0.00 0.00 29.16 30.87 2yuk h TRP 48 CO 0.91 -0.46 1.03 1.15 -0.00 0.00 0.00 178.44 181.07 2yuk h THR 49 N -0.55 0.04 0.05 2.65 2.02 -1.98 0.67 112.91 115.82 2yuk h THR 49 Ca 0.01 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.83 2yuk h THR 49 Cb 0.58 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2yuk h THR 49 CO -0.28 0.00 -2.07 0.41 0.37 0.00 0.00 175.52 173.95 2yuk n THR 50 N -3.11 1.63 0.15 3.16 -1.04 0.46 -4.19 114.28 111.33 2yuk n THR 50 Ca 0.15 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 2yuk n THR 50 Cb 1.24 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 67.94 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 -0.29 -0.34 -0.98 -2.82 2.43 0.41 -2.95 114.38 109.83 2yuk h ARG 51 Ca -0.49 0.02 0.33 0.00 -0.81 0.00 0.00 59.98 59.03 2yuk h ARG 51 Cb 1.81 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 31.28 2yuk h ARG 51 CO -0.09 -0.08 0.49 -0.24 -1.51 0.00 0.00 179.97 178.55 2yuk h VAL 52 N -0.56 0.23 -0.51 0.20 3.04 -0.88 0.52 116.25 118.29 2yuk h VAL 52 Ca -0.04 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 2yuk h VAL 52 Cb 0.41 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 2yuk h VAL 52 CO 0.06 0.04 0.28 0.11 -1.01 0.00 0.00 177.57 177.05 2yuk h LYS 53 N 0.24 0.72 -0.78 4.17 1.57 -1.69 -2.69 116.57 118.10 2yuk h LYS 53 Ca 0.73 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.47 2yuk h LYS 53 Cb 1.68 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.80 2yuk h LYS 53 CO -0.66 0.56 0.48 1.96 -0.57 0.00 0.00 179.45 181.22 2yuk h GLN 54 N 0.68 0.86 -0.83 3.15 1.08 0.12 -1.39 115.11 118.79 2yuk h GLN 54 Ca 0.18 -0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.43 2yuk h GLN 54 Cb 0.06 -0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.23 2yuk h GLN 54 CO -0.03 0.57 0.54 0.82 -0.95 0.00 0.00 178.83 179.78 2yuk h ILE 55 N 0.89 0.95 0.46 2.54 2.04 -1.08 0.18 117.51 123.48 2yuk h ILE 55 Ca 0.34 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2yuk h ILE 55 Cb 0.13 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2yuk h ILE 55 CO -0.16 0.14 -0.22 0.00 0.00 0.00 0.00 178.15 177.91 2yuk h ALA 56 N 1.58 -0.61 -0.47 1.87 0.00 -1.14 -1.13 119.26 119.36 2yuk h ALA 56 Ca 0.38 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2yuk h ALA 56 Cb 0.44 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2yuk h ALA 56 CO -0.15 -0.57 0.03 1.57 0.00 0.00 0.00 179.25 180.12 2yuk h LYS 57 N -1.16 0.14 0.00 0.00 2.10 -1.20 0.40 116.57 116.85 2yuk h LYS 57 Ca -0.06 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.54 2yuk h LYS 57 Cb 0.48 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 2yuk h LYS 57 CO 0.10 0.09 -0.19 -0.07 -2.00 0.00 0.00 179.45 177.39 2yuk h LEU 58 N 0.15 0.00 0.18 7.07 3.38 -0.74 -2.16 115.31 123.18 2yuk h LEU 58 Ca 0.23 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.89 2yuk h LEU 58 Cb 0.34 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.12 2yuk h LEU 58 CO -0.36 0.19 -1.35 -0.25 0.09 0.00 0.00 178.44 176.75 2yuk h TRP 59 N 0.00 0.97 0.33 1.13 2.91 0.50 -3.25 115.95 118.54 2yuk h TRP 59 Ca -0.00 -0.66 -0.02 0.00 1.13 0.00 0.00 58.89 59.34 2yuk h TRP 59 Cb 0.44 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2yuk h TRP 59 CO 0.00 1.50 -0.16 0.00 -1.03 0.00 0.00 178.44 178.75 2yuk h ARG 60 N 0.21 -0.43 -1.10 2.65 3.08 -0.05 -2.84 114.38 115.90 2yuk h ARG 60 Ca -0.22 0.03 0.30 0.00 0.07 0.00 0.00 59.98 60.16 2yuk h ARG 60 Cb 2.04 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 32.11 2yuk h ARG 60 CO 0.25 -0.16 0.74 1.57 -1.07 0.00 0.00 179.97 181.31 2yuk h LYS 61 N -0.67 0.21 -6.54 0.04 2.10 -1.54 -3.40 116.57 106.77 2yuk h LYS 61 Ca -0.05 -0.01 -0.53 0.00 -2.00 0.00 0.00 60.65 58.07 2yuk h LYS 61 Cb 0.47 -0.05 0.04 0.00 -0.90 0.00 0.00 32.23 31.79 2yuk h LYS 61 CO 0.07 0.14 1.04 0.00 -2.00 0.00 0.00 179.45 178.70 2yuk s ALA 62 N -5.25 3.79 0.59 0.07 0.00 -1.07 -4.95 121.76 114.93 2yuk s ALA 62 Ca -0.07 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 2yuk s ALA 62 Cb 0.24 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2yuk s ALA 62 CO 0.80 -1.08 1.24 -1.54 0.00 0.00 0.00 175.76 175.18 2yuk s SER 63 N 2.14 5.15 0.24 0.00 1.04 -1.26 -4.80 113.70 116.22 2yuk s SER 63 Ca 0.77 2.47 -0.06 0.00 0.48 0.00 0.00 55.95 59.61 2yuk s SER 63 Cb -0.45 -2.61 0.44 0.00 0.10 0.00 0.00 66.02 63.50 2yuk s SER 63 CO 0.34 -1.62 1.66 0.28 0.98 0.00 0.00 173.24 174.87 2yuk h SER 64 N 0.97 -0.20 -0.40 7.02 0.02 -1.92 0.67 113.55 119.71 2yuk h SER 64 Ca -0.51 0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.73 2yuk h SER 64 Cb 1.30 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 2yuk h SER 64 CO 0.55 -0.12 0.33 1.56 -1.14 0.00 0.00 176.83 178.00 2yuk h GLN 65 N 0.16 0.00 0.03 3.45 1.08 -2.00 0.96 115.11 118.78 2yuk h GLN 65 Ca 0.41 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.38 2yuk h GLN 65 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2yuk h GLN 65 CO -0.59 0.00 -0.99 1.49 -0.95 0.00 0.00 178.83 177.78 2yuk h GLU 66 N 0.00 0.35 0.00 1.46 4.57 0.01 -3.21 114.58 117.77 2yuk h GLU 66 Ca 0.19 -0.42 -0.07 0.00 -1.18 0.00 0.00 59.36 57.88 2yuk h GLU 66 Cb 0.84 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2yuk h GLU 66 CO -0.00 1.11 -0.35 0.00 -1.18 0.00 0.00 179.01 178.59 2yuk h ARG 67 N 0.18 0.00 -0.68 1.92 3.08 -0.37 -3.35 114.38 115.16 2yuk h ARG 67 Ca -0.09 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.03 2yuk h ARG 67 Cb 1.64 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.61 2yuk h ARG 67 CO 0.17 0.35 -0.37 0.00 -1.07 0.00 0.00 179.97 179.04 2yuk n ALA 68 N -2.21 -0.36 0.03 0.04 0.00 -0.04 0.19 120.51 118.15 2yuk n ALA 68 Ca 0.02 0.60 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 2yuk n ALA 68 Cb 0.62 -0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.79 -2.81 132.00 127.43 2yuk h PRO 69 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2yuk h PRO 69 Cb 0.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2yuk h PRO 69 CO -0.65 0.34 0.01 1.88 -0.23 0.00 0.00 178.00 179.35 2yuk h TYR 70 N -0.60 0.00 0.13 1.56 0.05 -1.20 0.25 116.97 117.17 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 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2yuk h TYR 70 CO 0.08 0.00 -1.65 0.28 -1.05 0.00 0.00 178.16 175.82 2yuk h VAL 71 N 0.00 1.02 0.07 -2.88 2.07 0.22 -3.28 116.25 113.47 2yuk h VAL 71 Ca 0.00 -2.67 -0.19 0.00 0.82 0.00 0.00 66.70 64.66 2yuk h VAL 71 Cb 0.02 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2yuk h VAL 71 CO 0.00 0.82 -0.97 -0.61 0.02 0.00 0.00 177.57 176.83 2yuk h GLN 72 N 0.08 0.15 -0.78 1.57 5.75 -0.92 -3.34 115.11 117.63 2yuk h GLN 72 Ca -0.29 -0.26 0.17 0.00 -0.15 0.00 0.00 58.65 58.11 2yuk h GLN 72 Cb 2.04 0.10 -0.11 0.00 1.07 0.00 0.00 27.48 30.58 2yuk h GLN 72 CO 0.16 1.13 0.26 -0.22 -2.65 0.00 0.00 178.83 177.50 2yuk h LYS 73 N -0.60 0.34 -0.47 1.69 3.64 -0.76 -0.23 116.57 120.18 2yuk h LYS 73 Ca -0.22 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2yuk h LYS 73 Cb 1.49 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.17 2yuk h LYS 73 CO 0.01 0.23 0.10 0.00 -2.27 0.00 0.00 179.45 177.52 2yuk h ALA 74 N 1.61 0.53 -0.30 5.00 0.00 -1.70 0.34 119.26 124.73 2yuk h ALA 74 Ca 0.44 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2yuk h ALA 74 Cb 0.75 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2yuk h ALA 74 CO -0.48 -0.30 0.16 0.00 0.00 0.00 0.00 179.25 178.63 2yuk h ARG 75 N 0.24 0.43 -0.55 0.00 3.08 -1.20 -2.67 114.38 113.71 2yuk h ARG 75 Ca 0.23 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2yuk h ARG 75 Cb 0.29 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2yuk h ARG 75 CO -0.29 0.38 0.14 0.22 -1.07 0.00 0.00 179.97 179.35 2yuk h ASP 76 N 0.36 0.79 -0.10 7.04 3.58 -0.68 -2.20 116.42 125.21 2yuk h ASP 76 Ca 0.10 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.45 2yuk h ASP 76 Cb 0.09 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2yuk h ASP 76 CO -0.02 0.77 0.08 0.78 -2.88 0.00 0.00 179.24 177.97 2yuk h ASN 77 N 0.82 0.00 0.10 2.28 2.35 -0.01 -0.84 115.58 120.28 2yuk h ASN 77 Ca 0.18 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2yuk h ASN 77 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2yuk h ASN 77 CO -0.00 0.00 -0.37 0.03 -1.65 0.00 0.00 177.43 175.44 2yuk h ARG 78 N 0.00 0.36 0.06 0.81 3.08 -1.16 -3.20 114.38 114.34 2yuk h ARG 78 Ca 0.05 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2yuk h ARG 78 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2yuk h ARG 78 CO -0.00 0.68 -0.03 0.00 -1.07 0.00 0.00 179.97 179.55 2yuk h ALA 79 N 1.31 -0.08 -0.99 0.04 0.00 -1.18 -2.96 119.26 115.40 2yuk h ALA 79 Ca 0.03 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.07 2yuk h ALA 79 Cb 0.79 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.43 2yuk h ALA 79 CO 0.06 -0.33 0.29 0.00 0.00 0.00 0.00 179.25 179.27 2yuk h ALA 80 N 0.38 1.66 -0.31 0.00 0.00 -1.49 0.81 119.26 120.30 2yuk h ALA 80 Ca -0.01 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2yuk h ALA 80 Cb 0.45 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2yuk h ALA 80 CO 0.01 -0.74 -0.23 -0.07 0.00 0.00 0.00 179.25 178.22 2yuk h LEU 81 N 0.03 0.74 -0.92 0.00 3.38 -1.60 -1.22 115.31 115.72 2yuk h LEU 81 Ca 0.72 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 58.30 2yuk h LEU 81 Cb 1.70 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 2yuk h LEU 81 CO -0.83 1.03 0.58 -0.09 0.09 0.00 0.00 178.44 179.22 2yuk h ARG 82 N 0.46 1.03 0.05 1.13 2.43 0.72 0.03 114.38 120.23 2yuk h ARG 82 Ca 0.06 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2yuk h ARG 82 Cb 0.79 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2yuk h ARG 82 CO 0.06 0.68 -0.03 0.82 -1.51 0.00 0.00 179.97 180.00 2yuk h ILE 83 N 1.07 1.29 -0.48 1.20 5.03 -1.01 -3.30 117.51 121.30 2yuk h ILE 83 Ca 0.40 -1.36 0.09 0.00 -0.12 0.00 0.00 64.86 63.86 2yuk h ILE 83 Cb 0.15 2.15 -0.08 0.00 -3.03 0.00 0.00 36.82 36.02 2yuk h ILE 83 CO -0.17 0.33 0.01 0.78 -0.68 0.00 0.00 178.15 178.42 2yuk h ASN 84 N -0.71 -0.19 -1.62 1.72 2.35 -1.01 -3.42 115.58 112.71 2yuk h ASN 84 Ca -0.01 0.11 -0.68 0.00 -0.55 0.00 0.00 56.30 55.17 2yuk h ASN 84 Cb 0.60 0.20 0.08 0.00 0.05 0.00 0.00 38.32 39.24 2yuk h ASN 84 CO 0.01 -0.06 0.13 0.29 -1.65 0.00 0.00 177.43 176.16 2yuk n LYS 85 N -5.22 0.78 0.00 0.81 5.02 -0.02 -4.87 118.16 114.66 2yuk n LYS 85 Ca 0.05 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2yuk n LYS 85 Cb 0.26 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2yuk n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yuk n VAL 86 N 1.36 0.00 -3.89 -0.18 0.31 -1.26 -4.99 118.33 109.68 2yuk n VAL 86 Ca 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 2yuk n VAL 86 Cb 0.21 -0.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.95 2yuk n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yuk s GLN 87 N -1.63 0.15 -0.79 5.55 0.00 -1.26 -5.11 119.66 116.58 2yuk s GLN 87 Ca 0.00 -0.16 -0.07 0.00 -0.00 0.00 0.00 55.36 55.13 2yuk s GLN 87 Cb 0.00 0.06 0.20 0.00 0.00 0.00 0.00 33.01 33.27 2yuk s GLN 87 CO 0.00 -0.03 0.67 -1.64 0.00 0.00 0.00 175.29 174.29 2yuk s MET 88 N -0.50 3.18 -0.61 9.60 -1.94 -1.26 -4.90 119.30 122.87 2yuk s MET 88 Ca -0.06 -2.74 0.00 0.00 -1.71 0.00 0.00 55.69 51.19 2yuk s MET 88 Cb -0.04 -4.06 0.44 0.00 2.01 0.00 0.00 34.83 33.18 2yuk s MET 88 CO -0.00 -1.23 1.84 0.43 -0.01 0.00 0.00 175.02 176.04 2yuk n SER 89 N 3.31 7.04 -0.59 3.03 7.64 -1.26 -5.33 113.62 127.45 2yuk n SER 89 Ca 0.14 -3.79 0.14 0.00 1.01 0.00 0.00 58.87 56.37 2yuk n SER 89 Cb 0.40 -0.84 0.43 0.00 -1.01 0.00 0.00 64.21 63.19 2yuk n SER 89 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57