#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 6.22 -0.27 1.61 0.01 -1.26 -5.05 113.70 114.97 2yuk s SER 2 Ca 0.00 0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 2yuk s SER 2 Cb 0.00 -1.82 -0.14 0.00 0.21 0.00 0.00 66.02 64.26 2yuk s SER 2 CO 0.00 -0.00 -0.28 -1.20 0.41 0.00 0.00 173.24 172.16 2yuk n SER 3 N -0.93 1.97 0.00 2.44 7.64 -1.26 -5.09 113.62 118.39 2yuk n SER 3 Ca -0.08 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2yuk n SER 3 Cb 0.56 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.64 1.80 3.48 0.23 0.00 -1.26 -5.09 105.19 105.99 2yuk n GLY 4 Ca -0.51 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2yuk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuk s SER 5 N 0.00 6.19 0.12 1.61 1.04 -1.26 -5.02 113.70 116.38 2yuk s SER 5 Ca 0.00 -0.67 -0.27 0.00 0.48 0.00 0.00 55.95 55.48 2yuk s SER 5 Cb 0.00 -2.22 -0.15 0.00 0.10 0.00 0.00 66.02 63.74 2yuk s SER 5 CO 0.00 -0.57 0.60 -1.54 0.98 0.00 0.00 173.24 172.71 2yuk n SER 6 N 5.58 -0.74 -3.45 7.02 3.41 -1.26 -4.95 113.62 119.23 2yuk n SER 6 Ca -0.07 0.98 -0.25 0.00 -0.26 0.00 0.00 58.87 59.27 2yuk n SER 6 Cb 0.47 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.50 2yuk n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yuk s GLY 7 N -0.59 0.43 0.15 5.00 0.00 -1.26 -5.12 107.32 105.93 2yuk s GLY 7 Ca 0.63 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.85 2yuk s GLY 7 CO 0.49 2.31 0.47 -2.01 0.00 0.00 0.00 173.10 174.35 2yuk n ASN 8 N 4.57 -0.96 -0.01 1.64 2.85 -1.26 -4.92 115.26 117.17 2yuk n ASN 8 Ca 0.05 0.94 -0.04 0.00 -0.11 0.00 0.00 54.58 55.43 2yuk n ASN 8 Cb 0.41 -0.79 -0.01 0.00 1.24 0.00 0.00 39.78 40.63 2yuk n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yuk n ALA 9 N 0.10 1.91 -0.99 5.20 0.00 -1.26 -5.06 120.51 120.41 2yuk n ALA 9 Ca 0.15 -0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 2yuk n ALA 9 Cb 0.20 0.12 0.24 0.00 0.00 0.00 0.00 19.45 20.01 2yuk n ALA 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2yuk n GLN 10 N -3.70 -3.18 -4.05 0.00 3.00 -1.26 -5.05 117.38 103.15 2yuk n GLN 10 Ca -0.05 -1.63 -0.32 0.00 -0.01 0.00 0.00 57.00 54.99 2yuk n GLN 10 Cb 0.20 -1.57 -0.06 0.00 0.00 0.00 0.00 30.24 28.81 2yuk n GLN 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2yuk s ARG 11 N -5.31 3.06 0.23 -1.09 1.70 -1.26 -5.11 118.95 111.17 2yuk s ARG 11 Ca 0.67 -0.55 -0.22 0.00 -0.47 0.00 0.00 55.73 55.16 2yuk s ARG 11 Cb -0.07 -2.84 0.06 0.00 -0.57 0.00 0.00 34.95 31.53 2yuk s ARG 11 CO 0.52 0.61 0.92 0.45 -1.08 0.00 0.00 175.30 176.72 2yuk s SER 12 N -2.11 -0.09 -1.18 -2.89 0.15 -1.26 -5.07 113.70 101.25 2yuk s SER 12 Ca 0.27 -0.67 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 2yuk s SER 12 Cb -0.12 0.60 0.24 0.00 -1.71 0.00 0.00 66.02 65.02 2yuk s SER 12 CO 0.19 -1.15 1.63 0.35 1.20 0.00 0.00 173.24 175.47 2yuk n THR 13 N -0.56 4.82 0.06 6.45 -2.24 -1.26 -4.51 114.28 117.05 2yuk n THR 13 Ca -0.05 -5.19 0.00 0.00 -2.27 0.00 0.00 64.05 56.54 2yuk n THR 13 Cb 0.60 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 2yuk n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yuk n LEU 14 N 2.71 0.49 -0.36 3.22 4.77 -1.26 -4.82 117.00 121.74 2yuk n LEU 14 Ca 0.32 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 2yuk n LEU 14 Cb 0.35 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2yuk n LEU 14 CO 0.75 -0.61 1.28 0.50 -1.33 0.00 0.00 177.39 177.97 2yuk h LYS 15 N 0.00 1.24 -0.81 3.23 3.64 -2.01 -2.72 116.57 119.13 2yuk h LYS 15 Ca 0.00 -0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.46 2yuk h LYS 15 Cb 0.17 -0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 31.56 2yuk h LYS 15 CO 0.00 0.82 -0.23 -1.49 -2.27 0.00 0.00 179.45 176.28 2yuk h TRP 16 N 1.28 -0.53 -0.97 1.91 4.06 -1.88 0.72 115.95 120.54 2yuk h TRP 16 Ca 0.38 0.08 0.18 0.00 2.06 0.00 0.00 58.89 61.58 2yuk h TRP 16 Cb -0.07 0.36 -0.09 0.00 -1.00 0.00 0.00 29.16 28.36 2yuk h TRP 16 CO -0.00 -0.36 0.61 1.49 -3.56 0.00 0.00 178.44 176.62 2yuk h GLU 17 N -0.02 0.69 0.09 0.49 4.57 -1.80 0.51 114.58 119.12 2yuk h GLU 17 Ca 0.38 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2yuk h GLU 17 Cb 0.60 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2yuk h GLU 17 CO -0.84 0.46 -0.04 0.87 -1.18 0.00 0.00 179.01 178.27 2yuk h LYS 18 N 0.71 -0.12 -0.07 1.92 1.57 0.24 -3.24 116.57 117.59 2yuk h LYS 18 Ca 0.53 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.34 2yuk h LYS 18 Cb 0.89 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2yuk h LYS 18 CO -0.30 0.42 0.05 0.93 -0.57 0.00 0.00 179.45 179.98 2yuk h GLU 19 N -0.81 0.00 -0.12 3.15 4.39 -0.24 -0.80 114.58 120.16 2yuk h GLU 19 Ca -0.01 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 2yuk h GLU 19 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2yuk h GLU 19 CO 0.02 0.00 0.12 0.93 -1.16 0.00 0.00 179.01 178.92 2yuk h GLU 20 N 0.00 0.00 0.07 2.33 4.39 -0.01 -0.52 114.58 120.83 2yuk h GLU 20 Ca 0.03 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.49 2yuk h GLU 20 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2yuk h GLU 20 CO -0.00 0.00 -1.11 0.00 -1.16 0.00 0.00 179.01 176.74 2yuk h ALA 21 N 1.87 0.23 0.00 3.43 0.00 -1.24 -3.18 119.26 120.38 2yuk h ALA 21 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2yuk h ALA 21 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2yuk h ALA 21 CO -0.00 1.08 0.00 -0.07 0.00 0.00 0.00 179.25 180.26 2yuk h LEU 22 N 0.05 0.00 0.00 0.00 3.38 -1.13 -3.48 115.31 114.13 2yuk h LEU 22 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2yuk h LEU 22 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 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 0.06 4.22 0.25 0.83 0.00 -1.06 -1.02 105.19 108.46 2yuk n GLY 23 Ca 0.02 0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.87 0.28 114.58 119.68 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 -0.22 -1.33 -1.00 0.00 0.00 179.01 176.46 2yuk n MET 25 N -2.63 0.20 -1.30 2.33 2.81 -0.19 -4.94 117.12 113.40 2yuk n MET 25 Ca -0.02 -0.07 -0.51 0.00 -1.81 0.00 0.00 57.70 55.29 2yuk n MET 25 Cb 0.07 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.01 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 -1.34 -3.21 1.12 3.04 0.00 0.99 -4.80 120.51 116.31 2yuk n ALA 26 Ca 0.08 0.51 0.07 0.00 0.00 0.00 0.00 53.44 54.11 2yuk n ALA 26 Cb 0.32 -1.53 0.23 0.00 0.00 0.00 0.00 19.45 18.47 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 1.21 0.34 -4.35 0.00 -2.24 -1.26 -4.56 114.28 103.42 2yuk n THR 27 Ca 0.17 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 2yuk n THR 27 Cb 0.08 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.66 3.04 -0.03 2.28 1.01 -1.26 -4.34 120.40 119.43 2yuk s VAL 28 Ca 0.25 -1.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.05 2yuk s VAL 28 Cb 0.13 -2.57 -0.13 0.00 0.00 0.00 0.00 36.38 33.80 2yuk s VAL 28 CO 0.18 -0.28 0.89 0.00 0.00 0.00 0.00 175.10 175.89 2yuk h ALA 29 N 2.39 -0.42 -0.29 5.51 0.00 -1.90 -2.52 119.26 122.04 2yuk h ALA 29 Ca -0.44 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2yuk h ALA 29 Cb 1.24 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yuk h ALA 29 CO 0.57 -0.46 -0.28 -1.00 0.00 0.00 0.00 179.25 178.08 2yuk h PRO 30 N -0.96 0.70 0.00 0.00 0.13 -1.93 -1.58 132.00 128.36 2yuk h PRO 30 Ca -0.04 -0.37 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2yuk h PRO 30 Cb 0.50 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2yuk h PRO 30 CO 0.07 0.98 -0.02 0.28 -0.23 0.00 0.00 178.00 179.09 2yuk h VAL 31 N 0.44 0.08 0.01 1.56 2.07 -1.93 -2.76 116.25 115.72 2yuk h VAL 31 Ca 0.05 -0.28 -0.21 0.00 0.82 0.00 0.00 66.70 67.08 2yuk h VAL 31 Cb 0.85 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2yuk h VAL 31 CO 0.07 0.02 -1.14 0.25 0.02 0.00 0.00 177.57 176.79 2yuk h LEU 32 N 0.00 0.04 -0.07 2.57 5.85 -1.28 -3.26 115.31 119.16 2yuk h LEU 32 Ca -0.00 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.14 2yuk h LEU 32 Cb 0.25 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2yuk h LEU 32 CO 0.00 1.45 -0.49 0.22 -0.34 0.00 0.00 178.44 179.28 2yuk h TYR 33 N -0.92 -1.44 -0.08 1.25 3.20 -1.16 -2.43 116.97 115.40 2yuk h TYR 33 Ca -0.31 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.66 2yuk h TYR 33 Cb 1.32 0.64 -0.05 0.00 1.54 0.00 0.00 36.73 40.18 2yuk h TYR 33 CO 0.12 -0.53 -0.25 1.79 -1.64 0.00 0.00 178.16 177.65 2yuk h THR 34 N -0.59 0.41 -1.19 1.81 1.35 -1.70 0.34 112.91 113.33 2yuk h THR 34 Ca 0.04 0.00 0.44 0.00 -0.55 0.00 0.00 66.41 66.34 2yuk h THR 34 Cb 0.68 0.41 -0.16 0.00 -1.73 0.00 0.00 68.15 67.35 2yuk h THR 34 CO -0.39 0.00 0.72 0.78 -0.25 0.00 0.00 175.52 176.38 2yuk h ASN 35 N -0.35 0.27 0.00 5.36 2.35 -1.49 1.23 115.58 122.96 2yuk h ASN 35 Ca 0.09 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2yuk h ASN 35 Cb 0.47 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2yuk h ASN 35 CO -0.28 -0.33 -0.32 0.40 -1.65 0.00 0.00 177.43 175.25 2yuk h ILE 36 N 0.03 0.00 0.04 2.81 2.04 -0.83 -3.34 117.51 118.25 2yuk h ILE 36 Ca 0.86 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 66.03 2yuk h ILE 36 Cb 2.50 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 2yuk h ILE 36 CO -0.60 0.00 -0.37 0.78 0.00 0.00 0.00 178.15 177.96 2yuk h ASN 37 N -0.72 -1.10 -3.82 1.72 2.35 0.19 -3.29 115.58 110.91 2yuk h ASN 37 Ca 0.00 0.13 -0.74 0.00 -0.55 0.00 0.00 56.30 55.15 2yuk h ASN 37 Cb 0.32 0.43 -0.32 0.00 0.05 0.00 0.00 38.32 38.81 2yuk h ASN 37 CO 0.00 -0.43 -0.06 -0.36 -1.65 0.00 0.00 177.43 174.93 2yuk s PHE 38 N -5.96 3.72 0.10 1.19 0.40 0.42 -4.90 117.98 112.96 2yuk s PHE 38 Ca -0.16 -2.56 -0.14 0.00 -0.60 0.00 0.00 56.93 53.46 2yuk s PHE 38 Cb 0.08 -3.48 -0.08 0.00 0.51 0.00 0.00 43.02 40.06 2yuk s PHE 38 CO 0.64 -0.88 1.42 -1.00 0.70 0.00 0.00 175.22 176.11 2yuk h PRO 39 N 6.98 0.73 -0.68 0.24 0.13 -1.66 -2.97 132.00 134.77 2yuk h PRO 39 Ca 0.09 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2yuk h PRO 39 Cb 0.94 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 39 CO 0.79 1.01 0.00 0.09 -0.23 0.00 0.00 178.00 179.66 2yuk n ASN 40 N -4.24 2.63 -0.25 1.44 3.02 -1.26 -4.49 115.26 112.11 2yuk n ASN 40 Ca -0.04 -2.28 -0.12 0.00 -0.03 0.00 0.00 54.58 52.11 2yuk n ASN 40 Cb 0.48 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.73 -1.92 -0.84 3.41 5.85 -1.88 0.29 115.31 121.94 2yuk h LEU 41 Ca 0.00 0.28 0.35 0.00 0.84 0.00 0.00 57.88 59.35 2yuk h LEU 41 Cb 0.93 0.82 -0.15 0.00 0.37 0.00 0.00 40.66 42.63 2yuk h LEU 41 CO 0.15 -0.34 0.44 2.29 -0.34 0.00 0.00 178.44 180.65 2yuk n LYS 42 N -5.34 -0.05 0.25 1.25 2.85 -1.26 -0.37 118.16 115.49 2yuk n LYS 42 Ca -0.01 1.16 -0.10 0.00 -1.05 0.00 0.00 58.31 58.31 2yuk n LYS 42 Cb 0.32 -2.08 -0.05 0.00 -0.65 0.00 0.00 35.03 32.56 2yuk n LYS 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2yuk h GLU 43 N 0.00 -0.63 -0.93 -1.58 5.08 -0.77 -1.56 114.58 114.19 2yuk h GLU 43 Ca 0.71 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 59.38 2yuk h GLU 43 Cb 1.87 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 31.11 2yuk h GLU 43 CO -0.65 -0.42 0.19 0.93 -1.00 0.00 0.00 179.01 178.06 2yuk h GLU 44 N -0.78 0.11 -2.96 2.33 4.39 -0.52 -3.26 114.58 113.88 2yuk h GLU 44 Ca -0.07 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.04 2yuk h GLU 44 Cb 0.50 -0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.73 2yuk h GLU 44 CO 0.11 0.07 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.19 2yuk s PHE 45 N -5.92 1.30 0.00 4.33 0.40 -0.59 -5.00 117.98 112.50 2yuk s PHE 45 Ca -0.12 -1.81 -0.24 0.00 -0.60 0.00 0.00 56.93 54.16 2yuk s PHE 45 Cb 0.28 -1.41 -0.18 0.00 0.51 0.00 0.00 43.02 42.22 2yuk s PHE 45 CO 0.77 -0.83 1.30 -1.00 0.70 0.00 0.00 175.22 176.17 2yuk h PRO 46 N 7.35 0.14 -6.23 0.24 0.13 -1.33 -3.39 132.00 128.91 2yuk h PRO 46 Ca -0.04 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 2yuk h PRO 46 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 46 CO 0.40 0.59 1.24 -0.51 -0.23 0.00 0.00 178.00 179.49 2yuk s ASP 47 N -5.86 6.12 0.06 1.44 1.01 -1.26 -4.85 116.67 113.32 2yuk s ASP 47 Ca -0.15 1.77 -0.13 0.00 0.71 0.00 0.00 52.55 54.75 2yuk s ASP 47 Cb 0.03 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 2yuk s ASP 47 CO 0.71 -1.45 1.22 -0.25 0.21 0.00 0.00 175.17 175.61 2yuk h TRP 48 N 11.97 -0.74 -0.83 4.23 -0.00 -1.98 0.83 115.95 129.43 2yuk h TRP 48 Ca -0.37 0.04 0.24 0.00 -0.00 0.00 0.00 58.89 58.80 2yuk h TRP 48 Cb 1.19 0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 30.67 2yuk h TRP 48 CO 0.93 -0.18 1.11 1.15 -0.00 0.00 0.00 178.44 181.44 2yuk h THR 49 N -0.10 0.03 0.05 2.65 2.02 -1.97 1.33 112.91 116.92 2yuk h THR 49 Ca 0.04 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.87 2yuk h THR 49 Cb 0.22 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 2yuk h THR 49 CO -0.30 0.00 -2.11 0.41 0.37 0.00 0.00 175.52 173.89 2yuk n THR 50 N -3.19 1.63 0.03 3.16 -1.04 0.24 -4.16 114.28 110.95 2yuk n THR 50 Ca 0.18 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 2yuk n THR 50 Cb 1.36 -1.37 -0.09 0.00 -1.82 0.00 0.00 70.33 68.41 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 0.03 -0.13 -0.87 -2.82 2.43 0.64 -3.25 114.38 110.41 2yuk h ARG 51 Ca -0.45 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2yuk h ARG 51 Cb 2.02 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 31.45 2yuk h ARG 51 CO 0.03 0.35 0.06 -0.24 -1.51 0.00 0.00 179.97 178.66 2yuk h VAL 52 N -0.68 0.22 -0.83 0.20 3.04 -0.75 0.90 116.25 118.35 2yuk h VAL 52 Ca -0.01 -0.03 0.19 0.00 -1.01 0.00 0.00 66.70 65.83 2yuk h VAL 52 Cb 0.53 0.12 -0.06 0.00 -2.01 0.00 0.00 31.29 29.87 2yuk h VAL 52 CO 0.02 0.02 0.56 0.11 -1.01 0.00 0.00 177.57 177.27 2yuk h LYS 53 N 0.09 0.34 0.39 4.17 1.57 -1.72 -2.64 116.57 118.77 2yuk h LYS 53 Ca 0.51 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.25 2yuk h LYS 53 Cb 0.99 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2yuk h LYS 53 CO -0.76 0.22 -0.19 1.96 -0.57 0.00 0.00 179.45 180.12 2yuk h GLN 54 N 0.35 -0.50 -1.42 3.15 1.08 0.75 -2.98 115.11 115.53 2yuk h GLN 54 Ca 0.42 0.03 0.44 0.00 -1.45 0.00 0.00 58.65 58.09 2yuk h GLN 54 Cb 1.11 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 28.56 2yuk h GLN 54 CO -0.13 -0.33 0.98 -0.89 -0.95 0.00 0.00 178.83 177.51 2yuk n ILE 55 N -4.26 -0.10 -0.03 2.54 5.41 -1.01 0.16 119.36 122.07 2yuk n ILE 55 Ca -0.06 1.36 -0.13 0.00 1.00 0.00 0.00 62.75 64.91 2yuk n ILE 55 Cb 0.21 -2.24 -0.11 0.00 -0.71 0.00 0.00 39.64 36.79 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 1.05 0.01 -0.52 -1.39 0.00 -1.48 0.26 119.26 117.20 2yuk h ALA 56 Ca 0.76 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2yuk h ALA 56 Cb 2.79 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.56 2yuk h ALA 56 CO -0.18 -0.17 -0.06 1.57 0.00 0.00 0.00 179.25 180.41 2yuk h LYS 57 N -0.60 0.92 -0.06 0.00 5.09 0.18 -1.28 116.57 120.81 2yuk h LYS 57 Ca -0.00 -0.30 -0.17 0.00 0.09 0.00 0.00 60.65 60.27 2yuk h LYS 57 Cb 0.64 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.88 2yuk h LYS 57 CO 0.00 0.95 -0.69 -0.07 -2.09 0.00 0.00 179.45 177.55 2yuk h LEU 58 N 0.83 0.34 0.10 7.07 3.38 -0.69 -2.53 115.31 123.81 2yuk h LEU 58 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2yuk h LEU 58 Cb 0.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2yuk h LEU 58 CO 0.04 0.93 -0.05 -0.25 0.09 0.00 0.00 178.44 179.19 2yuk h TRP 59 N 0.20 -0.12 -0.09 1.13 2.91 -0.72 -3.22 115.95 116.04 2yuk h TRP 59 Ca -0.02 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.02 2yuk h TRP 59 Cb 1.24 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.91 2yuk h TRP 59 CO 0.03 0.30 -0.04 0.00 -1.03 0.00 0.00 178.44 177.70 2yuk h ARG 60 N -0.58 -0.03 -0.97 2.65 3.08 -1.30 -2.45 114.38 114.77 2yuk h ARG 60 Ca -0.01 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.34 2yuk h ARG 60 Cb 0.47 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.36 2yuk h ARG 60 CO 0.02 -0.02 0.19 0.87 -1.07 0.00 0.00 179.97 179.96 2yuk h LYS 61 N -0.03 0.04 -6.39 0.04 1.57 -1.51 -3.38 116.57 106.90 2yuk h LYS 61 Ca 0.05 -0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.29 2yuk h LYS 61 Cb 0.11 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.42 2yuk h LYS 61 CO -0.11 0.03 1.06 0.00 -0.57 0.00 0.00 179.45 179.86 2yuk s ALA 62 N -5.87 3.66 0.91 3.86 0.00 -0.92 -4.96 121.76 118.43 2yuk s ALA 62 Ca -0.12 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 2yuk s ALA 62 Cb 0.30 -3.73 0.14 0.00 0.00 0.00 0.00 23.12 19.83 2yuk s ALA 62 CO 0.78 -1.25 1.16 -1.12 0.00 0.00 0.00 175.76 175.32 2yuk s SER 63 N 2.96 2.90 0.19 0.00 0.01 -1.26 -4.71 113.70 113.79 2yuk s SER 63 Ca 0.76 2.22 -0.14 0.00 1.31 0.00 0.00 55.95 60.11 2yuk s SER 63 Cb -0.39 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.45 2yuk s SER 63 CO 0.33 -3.12 1.68 0.28 0.41 0.00 0.00 173.24 172.83 2yuk h SER 64 N -1.82 -0.22 0.00 2.44 0.02 -1.93 0.40 113.55 112.44 2yuk h SER 64 Ca -0.43 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2yuk h SER 64 Cb 1.27 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2yuk h SER 64 CO 0.41 -0.07 0.18 1.56 -1.14 0.00 0.00 176.83 177.76 2yuk h GLN 65 N 0.11 0.00 0.18 3.45 1.08 -2.00 0.10 115.11 118.03 2yuk h GLN 65 Ca 0.25 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.10 2yuk h GLN 65 Cb 0.37 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2yuk h GLN 65 CO -0.41 0.00 -1.75 1.49 -0.95 0.00 0.00 178.83 177.21 2yuk h GLU 66 N 0.00 0.38 0.00 1.46 4.57 -0.53 -3.33 114.58 117.13 2yuk h GLU 66 Ca 0.00 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.52 2yuk h GLU 66 Cb 0.35 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2yuk h GLU 66 CO 0.00 1.30 -0.04 0.00 -1.18 0.00 0.00 179.01 179.09 2yuk h ARG 67 N 0.10 0.00 -0.64 1.92 3.08 -0.50 -3.36 114.38 114.99 2yuk h ARG 67 Ca -0.34 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.78 2yuk h ARG 67 Cb 2.09 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.06 2yuk h ARG 67 CO 0.18 0.04 -0.35 0.00 -1.07 0.00 0.00 179.97 178.76 2yuk n ALA 68 N -2.11 -0.34 0.02 0.04 0.00 0.17 0.18 120.51 118.48 2yuk n ALA 68 Ca 0.03 0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2yuk n ALA 68 Cb 0.51 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.09 0.00 0.00 0.13 -1.83 -2.81 132.00 127.40 2yuk h PRO 69 Ca 0.13 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2yuk h PRO 69 Cb 0.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2yuk h PRO 69 CO -0.61 0.37 0.00 0.66 -0.23 0.00 0.00 178.00 178.18 2yuk n TYR 70 N -4.91 0.69 0.05 1.56 4.01 0.04 -0.24 117.16 118.36 2yuk n TYR 70 Ca -0.08 0.36 -0.19 0.00 -0.16 0.00 0.00 57.90 57.82 2yuk n TYR 70 Cb 0.25 -1.08 -0.14 0.00 -0.31 0.00 0.00 39.34 38.06 2yuk n TYR 70 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2yuk h VAL 71 N 0.00 0.93 0.14 -0.72 2.07 0.21 -3.28 116.25 115.60 2yuk h VAL 71 Ca 0.00 -2.59 -0.26 0.00 0.82 0.00 0.00 66.70 64.67 2yuk h VAL 71 Cb 0.01 2.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2yuk h VAL 71 CO 0.00 0.82 -1.28 -0.61 0.02 0.00 0.00 177.57 176.52 2yuk h GLN 72 N 0.08 0.29 -0.45 1.57 5.75 -0.95 -3.35 115.11 118.04 2yuk h GLN 72 Ca -0.32 -0.50 0.09 0.00 -0.15 0.00 0.00 58.65 57.76 2yuk h GLN 72 Cb 2.05 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 30.71 2yuk h GLN 72 CO 0.14 1.24 -0.00 -0.22 -2.65 0.00 0.00 178.83 177.34 2yuk h LYS 73 N -0.26 0.11 -0.56 1.69 3.64 -0.80 -1.96 116.57 118.43 2yuk h LYS 73 Ca -0.26 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2yuk h LYS 73 Cb 1.79 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 33.47 2yuk h LYS 73 CO 0.11 0.07 -0.27 0.00 -2.27 0.00 0.00 179.45 177.09 2yuk h ALA 74 N 1.40 0.09 -0.31 5.00 0.00 -1.71 0.15 119.26 123.89 2yuk h ALA 74 Ca 0.23 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.34 2yuk h ALA 74 Cb 0.33 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2yuk h ALA 74 CO -0.38 -0.59 0.13 0.00 0.00 0.00 0.00 179.25 178.41 2yuk h ARG 75 N -0.13 0.27 -0.98 0.00 3.08 -1.51 -2.20 114.38 112.91 2yuk h ARG 75 Ca 0.24 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2yuk h ARG 75 Cb 0.52 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2yuk h ARG 75 CO -0.63 0.18 0.63 0.22 -1.07 0.00 0.00 179.97 179.29 2yuk h ASP 76 N 0.28 1.01 -0.75 7.04 1.82 -0.47 -1.23 116.42 124.12 2yuk h ASP 76 Ca 0.14 0.01 0.12 0.00 -0.39 0.00 0.00 57.03 56.90 2yuk h ASP 76 Cb 0.08 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 39.84 2yuk h ASP 76 CO -0.12 0.65 0.49 0.78 -1.61 0.00 0.00 179.24 179.43 2yuk h ASN 77 N 1.15 0.50 -0.75 2.28 2.35 -0.12 -0.47 115.58 120.51 2yuk h ASN 77 Ca 0.42 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.16 2yuk h ASN 77 Cb 0.15 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2yuk h ASN 77 CO -0.17 0.28 0.36 0.03 -1.65 0.00 0.00 177.43 176.28 2yuk h ARG 78 N 0.55 1.10 -0.04 0.81 3.08 -1.05 -2.93 114.38 115.90 2yuk h ARG 78 Ca 0.36 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2yuk h ARG 78 Cb 0.64 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2yuk h ARG 78 CO -0.13 0.85 0.02 0.00 -1.07 0.00 0.00 179.97 179.64 2yuk h ALA 79 N 1.31 0.05 -0.92 0.04 0.00 -1.07 -2.85 119.26 115.82 2yuk h ALA 79 Ca 0.26 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.38 2yuk h ALA 79 Cb 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.73 2yuk h ALA 79 CO -0.03 -0.41 0.15 0.00 0.00 0.00 0.00 179.25 178.96 2yuk h ALA 80 N 0.93 1.25 0.30 0.00 0.00 -1.31 0.86 119.26 121.29 2yuk h ALA 80 Ca 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2yuk h ALA 80 Cb 0.08 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2yuk h ALA 80 CO -0.00 -0.55 -0.14 -0.07 0.00 0.00 0.00 179.25 178.49 2yuk h LEU 81 N 0.10 -0.34 -0.49 0.00 3.38 -1.51 -1.37 115.31 115.08 2yuk h LEU 81 Ca 0.58 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.57 2yuk h LEU 81 Cb 1.21 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2yuk h LEU 81 CO -0.78 -0.19 -0.46 -0.09 0.09 0.00 0.00 178.44 177.01 2yuk h ARG 82 N -0.47 -0.21 -0.21 1.13 1.12 -0.70 -1.34 114.38 113.69 2yuk h ARG 82 Ca -0.04 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.89 2yuk h ARG 82 Cb 0.36 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.32 2yuk h ARG 82 CO 0.07 -0.14 -0.09 0.82 -3.11 0.00 0.00 179.97 177.52 2yuk h ILE 83 N -0.22 0.70 -2.64 1.20 5.03 -1.43 -3.24 117.51 116.91 2yuk h ILE 83 Ca 0.08 0.00 -0.76 0.00 -0.12 0.00 0.00 64.86 64.06 2yuk h ILE 83 Cb 0.44 0.70 -0.21 0.00 -3.03 0.00 0.00 36.82 34.72 2yuk h ILE 83 CO -0.57 0.00 1.05 0.20 -0.68 0.00 0.00 178.15 178.14 2yuk s ASN 84 N -5.16 7.15 -0.07 1.72 0.01 -0.52 -4.95 114.94 113.12 2yuk s ASN 84 Ca -0.14 -3.19 -0.07 0.00 -0.71 0.00 0.00 52.86 48.75 2yuk s ASN 84 Cb 0.11 -2.34 0.02 0.00 0.41 0.00 0.00 41.25 39.45 2yuk s ASN 84 CO 0.69 -0.59 0.20 -0.75 -1.51 0.00 0.00 177.10 175.13 2yuk s LYS 85 N 0.63 0.27 -0.47 -0.60 2.20 -1.11 -4.65 119.74 116.00 2yuk s LYS 85 Ca 0.39 0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 56.01 2yuk s LYS 85 Cb -0.05 0.13 0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2yuk s LYS 85 CO -0.03 -0.04 0.62 0.08 -0.36 0.00 0.00 175.35 175.63 2yuk s VAL 86 N -0.05 4.86 0.05 4.02 1.01 -1.26 -5.02 120.40 124.00 2yuk s VAL 86 Ca -0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 2yuk s VAL 86 Cb -0.02 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2yuk s VAL 86 CO 0.00 -0.70 1.83 0.00 0.00 0.00 0.00 175.10 176.23 2yuk n GLN 87 N 6.20 2.50 -4.64 2.72 6.02 -1.26 -4.97 117.38 123.96 2yuk n GLN 87 Ca -0.04 0.91 -0.33 0.00 -0.01 0.00 0.00 57.00 57.53 2yuk n GLN 87 Cb 0.47 -2.78 -0.13 0.00 1.02 0.00 0.00 30.24 28.81 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 3.10 3.49 0.66 -1.09 0.23 -1.26 -5.12 119.30 119.31 2yuk s MET 88 Ca 0.86 -0.62 -0.00 0.00 -1.03 0.00 0.00 55.69 54.90 2yuk s MET 88 Cb -0.57 -2.74 0.09 0.00 -1.53 0.00 0.00 34.83 30.08 2yuk s MET 88 CO 0.43 0.23 0.92 -1.54 -2.03 0.00 0.00 175.02 173.02 2yuk s SER 89 N 0.34 4.68 0.00 -1.18 1.04 -1.26 -5.34 113.70 111.98 2yuk s SER 89 Ca -0.08 -0.24 0.29 0.00 0.48 0.00 0.00 55.95 56.40 2yuk s SER 89 Cb -0.15 -0.32 1.26 0.00 0.10 0.00 0.00 66.02 66.91 2yuk s SER 89 CO 0.05 -1.61 1.86 -0.46 0.98 0.00 0.00 173.24 174.06