#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 4.63 0.43 1.61 0.01 -1.26 -5.11 113.70 114.02 2yuk s SER 2 Ca 0.00 -1.22 0.08 0.00 1.31 0.00 0.00 55.95 56.12 2yuk s SER 2 Cb 0.00 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 2yuk s SER 2 CO 0.00 -0.21 0.44 -0.44 0.41 0.00 0.00 173.24 173.44 2yuk s SER 3 N 1.23 5.16 -0.20 2.44 0.01 -1.26 -4.89 113.70 116.19 2yuk s SER 3 Ca -0.05 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 2yuk s SER 3 Cb -0.19 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.54 2yuk s SER 3 CO -0.03 -0.73 0.20 0.61 0.41 0.00 0.00 173.24 173.71 2yuk n GLY 4 N -1.65 -1.92 3.46 3.44 0.00 -1.26 -5.08 105.19 102.18 2yuk n GLY 4 Ca 0.05 0.43 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.48 3.49 -0.17 1.61 1.04 -1.26 -5.07 113.70 111.86 2yuk s SER 5 Ca 0.08 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.39 2yuk s SER 5 Cb -0.02 -0.29 -0.07 0.00 0.10 0.00 0.00 66.02 65.74 2yuk s SER 5 CO 0.40 0.02 -0.23 -1.20 0.98 0.00 0.00 173.24 173.21 2yuk n SER 6 N -0.60 1.24 0.00 7.02 7.64 -1.26 -5.14 113.62 122.51 2yuk n SER 6 Ca -0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2yuk n SER 6 Cb 0.60 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2yuk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuk n GLY 7 N 1.91 2.25 3.74 0.23 0.00 -1.26 -5.01 105.19 107.05 2yuk n GLY 7 Ca -0.34 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 7.15 -0.02 1.61 0.01 -1.26 -4.93 114.94 117.50 2yuk s ASN 8 Ca 0.00 2.16 -0.00 0.00 -0.71 0.00 0.00 52.86 54.31 2yuk s ASN 8 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 2yuk s ASN 8 CO 0.00 -0.33 -0.03 0.00 -1.51 0.00 0.00 177.10 175.24 2yuk n ALA 9 N 2.57 2.26 -2.51 0.60 0.00 -1.26 -5.06 120.51 117.10 2yuk n ALA 9 Ca 0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 2yuk n ALA 9 Cb 0.45 0.45 -0.11 0.00 0.00 0.00 0.00 19.45 20.25 2yuk n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2yuk s GLN 10 N -2.05 1.88 -0.41 0.00 0.74 -1.26 -5.09 119.66 113.47 2yuk s GLN 10 Ca -0.03 -1.17 -0.27 0.00 0.05 0.00 0.00 55.36 53.93 2yuk s GLN 10 Cb 0.01 -2.15 0.02 0.00 1.10 0.00 0.00 33.01 31.99 2yuk s GLN 10 CO 0.05 0.48 1.03 0.50 -0.55 0.00 0.00 175.29 176.80 2yuk s ARG 11 N -2.25 3.80 0.27 1.67 3.52 -1.26 -5.02 118.95 119.68 2yuk s ARG 11 Ca 0.19 0.61 0.11 0.00 -0.13 0.00 0.00 55.73 56.52 2yuk s ARG 11 Cb -0.10 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 2yuk s ARG 11 CO 0.11 -1.13 -0.10 0.45 -0.81 0.00 0.00 175.30 173.83 2yuk s SER 12 N 2.08 4.06 -0.10 -2.12 0.15 -1.26 -5.01 113.70 111.50 2yuk s SER 12 Ca 0.43 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2yuk s SER 12 Cb -0.10 -0.57 0.11 0.00 -1.71 0.00 0.00 66.02 63.75 2yuk s SER 12 CO 0.23 0.02 1.53 0.35 1.20 0.00 0.00 173.24 176.57 2yuk n THR 13 N -0.76 1.79 -0.08 6.45 -2.24 -1.26 -4.03 114.28 114.15 2yuk n THR 13 Ca -0.06 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 61.02 2yuk n THR 13 Cb 0.60 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.57 1.84 -0.26 3.22 4.77 -1.26 -4.52 117.00 121.35 2yuk n LEU 14 Ca 0.11 0.31 0.10 0.00 -0.03 0.00 0.00 56.01 56.50 2yuk n LEU 14 Cb 0.64 -0.70 0.36 0.00 -2.33 0.00 0.00 43.42 41.38 2yuk n LEU 14 CO 0.13 -0.26 1.22 0.50 -1.33 0.00 0.00 177.39 177.65 2yuk h LYS 15 N -0.89 0.72 -0.48 3.23 3.64 -2.01 -2.66 116.57 118.12 2yuk h LYS 15 Ca -0.05 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2yuk h LYS 15 Cb 0.94 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.51 2yuk h LYS 15 CO -0.03 0.48 -0.55 -1.49 -2.27 0.00 0.00 179.45 175.59 2yuk h TRP 16 N 0.74 -1.70 -1.08 1.91 4.06 -1.81 0.33 115.95 118.41 2yuk h TRP 16 Ca 0.43 0.09 0.32 0.00 2.06 0.00 0.00 58.89 61.78 2yuk h TRP 16 Cb 0.60 0.80 -0.12 0.00 -1.00 0.00 0.00 29.16 29.44 2yuk h TRP 16 CO -0.00 -0.46 0.66 1.49 -3.56 0.00 0.00 178.44 176.57 2yuk h GLU 17 N -0.34 0.33 -0.24 0.49 4.81 -1.70 0.44 114.58 118.36 2yuk h GLU 17 Ca 0.08 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2yuk h GLU 17 Cb 0.56 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2yuk h GLU 17 CO -0.63 0.22 -0.35 0.87 -0.73 0.00 0.00 179.01 178.39 2yuk h LYS 18 N 0.34 0.67 0.00 1.92 6.56 -0.53 -2.97 116.57 122.56 2yuk h LYS 18 Ca 0.69 -0.39 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 2yuk h LYS 18 Cb 1.74 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.43 2yuk h LYS 18 CO -0.45 1.01 0.00 0.93 -2.06 0.00 0.00 179.45 178.88 2yuk h GLU 19 N 0.38 0.00 0.00 3.15 4.39 0.20 -2.65 114.58 120.05 2yuk h GLU 19 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2yuk h GLU 19 Cb 0.94 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2yuk h GLU 19 CO 0.08 0.00 -0.03 0.93 -1.16 0.00 0.00 179.01 178.83 2yuk h GLU 20 N 0.00 0.00 0.03 2.33 4.39 -0.36 -2.41 114.58 118.56 2yuk h GLU 20 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2yuk h GLU 20 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2yuk h GLU 20 CO 0.00 0.03 -1.55 0.00 -1.16 0.00 0.00 179.01 176.32 2yuk h ALA 21 N 1.97 0.58 0.00 3.43 0.00 -1.57 -3.31 119.26 120.36 2yuk h ALA 21 Ca -0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 54.91 53.62 2yuk h ALA 21 Cb 0.32 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yuk h ALA 21 CO 0.00 1.42 -0.03 -0.07 0.00 0.00 0.00 179.25 180.58 2yuk h LEU 22 N 0.02 0.00 0.00 0.00 3.38 -1.51 -3.47 115.31 113.72 2yuk h LEU 22 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2yuk h LEU 22 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2yuk h LEU 22 CO 0.10 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2yuk n GLY 23 N -0.35 4.11 0.04 0.83 0.00 -1.16 -1.38 105.19 107.28 2yuk n GLY 23 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 13.85 0.03 0.06 1.61 1.02 -1.26 -0.35 120.64 135.60 2yuk n GLU 24 Ca 0.00 0.51 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 2yuk n GLU 24 Cb 0.00 -1.61 0.05 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.68 0.41 -1.17 3.49 2.81 -0.48 -4.96 117.12 115.55 2yuk n MET 25 Ca 0.00 0.05 -0.45 0.00 -1.81 0.00 0.00 57.70 55.49 2yuk n MET 25 Cb 0.03 -1.69 -0.07 0.00 -0.71 0.00 0.00 33.22 30.78 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 -1.96 -1.18 1.81 3.04 0.00 0.53 -4.74 120.51 118.00 2yuk n ALA 26 Ca 0.01 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.82 2yuk n ALA 26 Cb 0.48 -1.29 0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 2.47 0.00 -4.21 0.00 -2.24 -1.26 -4.51 114.28 104.53 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 -0.03 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.00 3.80 -0.04 2.28 1.01 -1.26 -4.33 120.40 119.86 2yuk s VAL 28 Ca 0.05 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 2yuk s VAL 28 Cb 0.02 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 2yuk s VAL 28 CO 0.04 -0.24 0.63 0.00 0.00 0.00 0.00 175.10 175.53 2yuk h ALA 29 N 2.21 -0.47 0.05 5.51 0.00 -1.87 -2.98 119.26 121.71 2yuk h ALA 29 Ca -0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 29 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2yuk h ALA 29 CO 0.59 -0.45 -0.02 -1.00 0.00 0.00 0.00 179.25 178.37 2yuk h PRO 30 N -1.10 -0.07 0.00 0.00 0.13 -1.93 -1.86 132.00 127.18 2yuk h PRO 30 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2yuk h PRO 30 Cb 0.41 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2yuk h PRO 30 CO 0.08 0.39 0.05 0.28 -0.23 0.00 0.00 178.00 178.58 2yuk n VAL 31 N -4.90 1.16 -0.12 1.56 0.31 -1.26 -2.04 118.33 113.05 2yuk n VAL 31 Ca -0.08 0.68 -0.25 0.00 -0.01 0.00 0.00 64.34 64.68 2yuk n VAL 31 Cb 0.25 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.39 2yuk n VAL 31 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2yuk n LEU 32 N -2.04 1.95 -0.02 7.52 7.94 -1.13 -3.71 117.00 127.52 2yuk n LEU 32 Ca -0.01 0.37 -0.10 0.00 -1.11 0.00 0.00 56.01 55.16 2yuk n LEU 32 Cb 0.08 -0.91 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 2yuk n LEU 32 CO 0.07 0.43 0.66 0.22 -1.11 0.00 0.00 177.39 177.66 2yuk h TYR 33 N -0.94 -0.81 -0.68 1.96 5.03 -0.73 -1.68 116.97 119.12 2yuk h TYR 33 Ca -0.50 0.04 0.04 0.00 2.58 0.00 0.00 58.73 60.89 2yuk h TYR 33 Cb 1.47 0.38 -0.05 0.00 1.55 0.00 0.00 36.73 40.09 2yuk h TYR 33 CO 0.02 -0.37 0.41 1.79 -1.32 0.00 0.00 178.16 178.68 2yuk h THR 34 N -0.34 1.04 -0.80 1.81 1.35 -1.69 0.15 112.91 114.44 2yuk h THR 34 Ca 0.11 -0.27 0.23 0.00 -0.55 0.00 0.00 66.41 65.93 2yuk h THR 34 Cb 0.52 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.10 2yuk h THR 34 CO -0.37 0.14 0.57 0.78 -0.25 0.00 0.00 175.52 176.39 2yuk h ASN 35 N 0.78 0.03 0.00 5.36 2.35 -1.40 1.08 115.58 123.77 2yuk h ASN 35 Ca 0.29 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.86 2yuk h ASN 35 Cb 0.09 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2yuk h ASN 35 CO -0.14 0.01 -1.16 -0.38 -1.65 0.00 0.00 177.43 174.12 2yuk n ILE 36 N -4.31 1.50 0.25 2.81 5.41 -0.46 -4.19 119.36 120.37 2yuk n ILE 36 Ca 0.16 0.02 -0.15 0.00 1.00 0.00 0.00 62.75 63.78 2yuk n ILE 36 Cb 0.85 -2.15 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 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 -1.00 -0.53 -3.93 4.38 2.35 -0.40 -3.37 115.58 113.08 2yuk h ASN 37 Ca -0.27 -0.06 -0.75 0.00 -0.55 0.00 0.00 56.30 54.68 2yuk h ASN 37 Cb 1.08 0.14 -0.30 0.00 0.05 0.00 0.00 38.32 39.29 2yuk h ASN 37 CO -0.16 -0.26 -0.12 -0.36 -1.65 0.00 0.00 177.43 174.88 2yuk s PHE 38 N -5.40 3.59 0.07 1.19 0.40 0.37 -4.91 117.98 113.29 2yuk s PHE 38 Ca -0.15 -2.28 -0.18 0.00 -0.60 0.00 0.00 56.93 53.71 2yuk s PHE 38 Cb 0.03 -3.55 -0.12 0.00 0.51 0.00 0.00 43.02 39.90 2yuk s PHE 38 CO 0.58 -0.93 1.38 -1.00 0.70 0.00 0.00 175.22 175.95 2yuk h PRO 39 N 7.50 0.51 -0.09 0.24 0.13 -1.73 -2.95 132.00 135.61 2yuk h PRO 39 Ca 0.04 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2yuk h PRO 39 Cb 1.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2yuk h PRO 39 CO 0.75 0.84 0.00 0.09 -0.23 0.00 0.00 178.00 179.45 2yuk n ASN 40 N -4.43 0.57 -0.34 1.44 4.13 -1.26 -4.34 115.26 111.03 2yuk n ASN 40 Ca -0.05 -1.86 0.01 0.00 1.68 0.00 0.00 54.58 54.35 2yuk n ASN 40 Cb 0.41 -0.06 0.06 0.00 -1.54 0.00 0.00 39.78 38.65 2yuk n ASN 40 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2yuk n LEU 41 N -0.25 -0.51 -0.25 3.41 7.94 -1.11 0.10 117.00 126.33 2yuk n LEU 41 Ca 0.07 1.55 -0.06 0.00 -1.11 0.00 0.00 56.01 56.46 2yuk n LEU 41 Cb 0.11 -0.39 -0.01 0.00 0.53 0.00 0.00 43.42 43.66 2yuk n LEU 41 CO 0.05 -1.42 0.59 0.11 -1.11 0.00 0.00 177.39 175.61 2yuk h LYS 42 N 0.00 -0.15 0.67 1.96 1.57 -1.81 -0.66 116.57 118.15 2yuk h LYS 42 Ca 0.34 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 2yuk h LYS 42 Cb 0.57 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2yuk h LYS 42 CO -0.89 -0.10 -0.38 0.93 -0.57 0.00 0.00 179.45 178.43 2yuk h GLU 43 N -0.16 -0.94 -0.92 3.15 3.07 -0.68 -2.37 114.58 115.73 2yuk h GLU 43 Ca 0.23 0.06 0.35 0.00 -0.50 0.00 0.00 59.36 59.50 2yuk h GLU 43 Cb 0.56 0.21 -0.17 0.00 -0.84 0.00 0.00 28.75 28.52 2yuk h GLU 43 CO -0.75 -0.63 0.38 0.39 -1.40 0.00 0.00 179.01 177.00 2yuk n GLU 44 N -4.84 -0.06 -3.61 2.33 1.02 -0.68 -3.14 120.64 111.66 2yuk n GLU 44 Ca -0.12 1.29 -0.29 0.00 -0.02 0.00 0.00 57.16 58.02 2yuk n GLU 44 Cb 0.40 -2.26 -0.13 0.00 -0.02 0.00 0.00 31.44 29.43 2yuk n GLU 44 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2yuk s PHE 45 N -5.52 1.28 0.07 -0.32 0.40 -0.31 -4.99 117.98 108.59 2yuk s PHE 45 Ca -0.09 -1.79 -0.17 0.00 -0.60 0.00 0.00 56.93 54.28 2yuk s PHE 45 Cb 0.30 -1.39 -0.11 0.00 0.51 0.00 0.00 43.02 42.33 2yuk s PHE 45 CO 0.72 -0.83 1.39 -1.00 0.70 0.00 0.00 175.22 176.20 2yuk h PRO 46 N 7.36 0.56 -6.25 0.24 0.13 -1.38 -3.41 132.00 129.25 2yuk h PRO 46 Ca -0.04 -0.29 -0.56 0.00 -0.87 0.00 0.00 66.00 64.23 2yuk h PRO 46 Cb 0.97 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 46 CO 0.40 0.88 1.26 -0.51 -0.23 0.00 0.00 178.00 179.81 2yuk s ASP 47 N -6.37 5.84 0.10 1.44 1.01 -1.26 -4.90 116.67 112.52 2yuk s ASP 47 Ca -0.13 1.07 -0.23 0.00 0.71 0.00 0.00 52.55 53.97 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 0.80 -1.79 1.39 -0.25 0.21 0.00 0.00 175.17 175.53 2yuk h TRP 48 N 12.98 -1.25 -1.29 4.23 -0.00 -1.98 0.62 115.95 129.27 2yuk h TRP 48 Ca -0.31 0.07 0.37 0.00 -0.00 0.00 0.00 58.89 59.01 2yuk h TRP 48 Cb 1.16 0.59 -0.05 0.00 -0.00 0.00 0.00 29.16 30.86 2yuk h TRP 48 CO 0.97 -0.34 1.26 1.15 -0.00 0.00 0.00 178.44 181.49 2yuk h THR 49 N -0.24 0.01 0.04 2.65 2.02 -1.97 1.52 112.91 116.95 2yuk h THR 49 Ca 0.06 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.89 2yuk h THR 49 Cb 0.40 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 2yuk h THR 49 CO -0.47 0.00 -2.08 0.41 0.37 0.00 0.00 175.52 173.75 2yuk n THR 50 N -3.45 1.61 -0.02 3.16 -1.04 0.18 -4.27 114.28 110.45 2yuk n THR 50 Ca 0.29 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.05 61.46 2yuk n THR 50 Cb 1.65 -1.26 -0.10 0.00 -1.82 0.00 0.00 70.33 68.79 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 0.01 -0.63 -2.82 2.43 0.55 -3.03 114.38 110.91 2yuk h ARG 51 Ca -0.44 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 58.91 2yuk h ARG 51 Cb 2.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.56 2yuk h ARG 51 CO 0.04 0.54 0.75 -0.24 -1.51 0.00 0.00 179.97 179.55 2yuk h VAL 52 N -0.51 0.20 0.01 0.20 3.04 -0.61 0.36 116.25 118.93 2yuk h VAL 52 Ca 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.54 2yuk h VAL 52 Cb 0.54 0.39 0.01 0.00 -2.01 0.00 0.00 31.29 30.22 2yuk h VAL 52 CO 0.00 0.00 -0.58 0.11 -1.01 0.00 0.00 177.57 176.09 2yuk h LYS 53 N 0.00 0.38 -0.31 4.17 1.57 -1.71 -3.17 116.57 117.50 2yuk h LYS 53 Ca 0.30 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2yuk h LYS 53 Cb 1.79 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.20 2yuk h LYS 53 CO -0.00 1.10 0.21 1.96 -0.57 0.00 0.00 179.45 182.14 2yuk h GLN 54 N -0.16 0.27 -0.19 3.15 1.08 -0.29 -0.97 115.11 118.00 2yuk h GLN 54 Ca -0.08 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.99 2yuk h GLN 54 Cb 1.31 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2yuk h GLN 54 CO 0.11 0.18 -0.39 0.82 -0.95 0.00 0.00 178.83 178.60 2yuk h ILE 55 N 0.28 1.30 0.00 2.54 2.04 -1.48 -1.40 117.51 120.79 2yuk h ILE 55 Ca 0.13 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 2yuk h ILE 55 Cb 0.18 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2yuk h ILE 55 CO -0.03 0.47 -0.00 0.00 0.00 0.00 0.00 178.15 178.59 2yuk h ALA 56 N 1.22 -0.00 -0.08 1.87 0.00 -1.18 -1.54 119.26 119.55 2yuk h ALA 56 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2yuk h ALA 56 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2yuk h ALA 56 CO 0.07 -0.18 0.05 1.57 0.00 0.00 0.00 179.25 180.76 2yuk h LYS 57 N -0.65 0.10 -0.41 0.00 2.10 -1.35 -1.23 116.57 115.15 2yuk h LYS 57 Ca -0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 2yuk h LYS 57 Cb 0.64 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2yuk h LYS 57 CO 0.00 0.07 0.08 -0.07 -2.00 0.00 0.00 179.45 177.54 2yuk h LEU 58 N 0.10 0.57 0.46 7.07 3.38 -1.35 -1.28 115.31 124.25 2yuk h LEU 58 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2yuk h LEU 58 Cb -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2yuk h LEU 58 CO -0.01 0.58 -0.22 -0.25 0.09 0.00 0.00 178.44 178.63 2yuk h TRP 59 N 0.60 -0.58 -0.99 1.13 2.91 -0.82 -3.02 115.95 115.18 2yuk h TRP 59 Ca 0.14 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.16 2yuk h TRP 59 Cb 0.26 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.04 2yuk h TRP 59 CO 0.01 -0.28 0.65 0.00 -1.03 0.00 0.00 178.44 177.79 2yuk h ARG 60 N -0.80 1.27 -1.01 2.65 3.08 -1.14 -2.13 114.38 116.31 2yuk h ARG 60 Ca -0.06 -0.08 0.23 0.00 0.07 0.00 0.00 59.98 60.14 2yuk h ARG 60 Cb 0.56 -0.29 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 2yuk h ARG 60 CO 0.10 0.84 0.61 -0.22 -1.07 0.00 0.00 179.97 180.23 2yuk h LYS 61 N 1.31 0.60 -6.78 0.04 3.64 -1.15 -3.40 116.57 110.84 2yuk h LYS 61 Ca 0.37 -0.04 -0.52 0.00 -1.27 0.00 0.00 60.65 59.20 2yuk h LYS 61 Cb -0.11 -0.14 0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2yuk h LYS 61 CO -0.09 0.40 0.56 0.00 -2.27 0.00 0.00 179.45 178.05 2yuk s ALA 62 N -5.77 3.46 0.61 5.00 0.00 -0.80 -5.00 121.76 119.26 2yuk s ALA 62 Ca -0.11 1.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 2yuk s ALA 62 Cb 0.26 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2yuk s ALA 62 CO 0.80 -0.39 1.16 -1.12 0.00 0.00 0.00 175.76 176.21 2yuk s SER 63 N -0.37 5.22 0.22 0.00 0.01 -1.26 -4.82 113.70 112.70 2yuk s SER 63 Ca 0.49 2.24 -0.11 0.00 1.31 0.00 0.00 55.95 59.88 2yuk s SER 63 Cb -0.35 -2.58 0.30 0.00 0.21 0.00 0.00 66.02 63.60 2yuk s SER 63 CO 0.43 -1.56 1.63 0.28 0.41 0.00 0.00 173.24 174.43 2yuk h SER 64 N 0.68 -0.48 -0.05 2.44 0.02 -1.94 0.87 113.55 115.09 2yuk h SER 64 Ca -0.49 0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2yuk h SER 64 Cb 1.28 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 64.18 2yuk h SER 64 CO 0.55 -0.19 0.09 -0.61 -1.14 0.00 0.00 176.83 175.53 2yuk h GLN 65 N 0.05 0.00 0.04 3.45 5.75 -2.01 -0.31 115.11 122.08 2yuk h GLN 65 Ca 0.34 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.60 2yuk h GLN 65 Cb 0.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2yuk h GLN 65 CO -0.64 0.00 -1.02 1.49 -2.65 0.00 0.00 178.83 176.01 2yuk h GLU 66 N 0.00 0.34 0.00 1.69 4.81 0.42 -3.18 114.58 118.66 2yuk h GLU 66 Ca 0.02 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2yuk h GLU 66 Cb 0.21 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2yuk h GLU 66 CO -0.00 1.12 -0.01 0.00 -0.73 0.00 0.00 179.01 179.39 2yuk h ARG 67 N 0.17 0.00 -0.86 1.92 3.08 -0.56 -3.36 114.38 114.76 2yuk h ARG 67 Ca -0.09 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.06 2yuk h ARG 67 Cb 1.69 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.62 2yuk h ARG 67 CO 0.17 0.00 -0.43 0.00 -1.07 0.00 0.00 179.97 178.64 2yuk n ALA 68 N -1.88 -0.35 -0.03 0.04 0.00 -0.71 0.18 120.51 117.75 2yuk n ALA 68 Ca 0.05 0.79 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2yuk n ALA 68 Cb 0.46 -0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 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 0.15 0.00 0.00 0.13 -1.80 -2.60 132.00 127.88 2yuk h PRO 69 Ca 0.21 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2yuk h PRO 69 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2yuk h PRO 69 CO -0.83 0.59 0.00 1.88 -0.23 0.00 0.00 178.00 179.41 2yuk h TYR 70 N -0.29 0.00 0.14 1.56 0.05 -1.31 0.22 116.97 117.34 2yuk h TYR 70 Ca 0.01 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.46 2yuk h TYR 70 Cb 0.57 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 2yuk h TYR 70 CO 0.09 0.00 -1.72 0.28 -1.05 0.00 0.00 178.16 175.76 2yuk h VAL 71 N 0.00 0.94 0.15 -2.88 2.07 0.20 -3.27 116.25 113.47 2yuk h VAL 71 Ca 0.00 -2.59 -0.24 0.00 0.82 0.00 0.00 66.70 64.69 2yuk h VAL 71 Cb 0.11 2.69 0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2yuk h VAL 71 CO 0.00 0.82 -1.11 -0.61 0.02 0.00 0.00 177.57 176.69 2yuk h GLN 72 N 0.08 0.33 -0.71 1.57 5.75 -0.96 -3.34 115.11 117.83 2yuk h GLN 72 Ca -0.32 -0.56 0.11 0.00 -0.15 0.00 0.00 58.65 57.73 2yuk h GLN 72 Cb 2.05 0.21 -0.08 0.00 1.07 0.00 0.00 27.48 30.73 2yuk h GLN 72 CO 0.15 1.27 0.32 -0.22 -2.65 0.00 0.00 178.83 177.70 2yuk h LYS 73 N -0.26 0.52 -0.53 1.69 3.64 -0.78 -1.60 116.57 119.24 2yuk h LYS 73 Ca -0.21 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2yuk h LYS 73 Cb 1.77 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 33.39 2yuk h LYS 73 CO 0.15 0.34 0.03 0.00 -2.27 0.00 0.00 179.45 177.70 2yuk h ALA 74 N 1.46 0.54 -0.12 5.00 0.00 -1.68 0.96 119.26 125.41 2yuk h ALA 74 Ca 0.36 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 2yuk h ALA 74 Cb 0.44 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2yuk h ALA 74 CO -0.31 -0.37 0.07 0.00 0.00 0.00 0.00 179.25 178.65 2yuk h ARG 75 N 0.15 0.17 -0.99 0.00 3.08 -1.43 -2.66 114.38 112.70 2yuk h ARG 75 Ca 0.27 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.36 2yuk h ARG 75 Cb 0.41 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2yuk h ARG 75 CO -0.43 0.16 0.64 0.22 -1.07 0.00 0.00 179.97 179.50 2yuk h ASP 76 N 0.13 1.04 -0.88 7.04 1.82 -0.74 -1.45 116.42 123.38 2yuk h ASP 76 Ca 0.04 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.87 2yuk h ASP 76 Cb 0.03 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 39.75 2yuk h ASP 76 CO -0.01 0.68 0.58 0.78 -1.61 0.00 0.00 179.24 179.67 2yuk h ASN 77 N 1.19 0.47 -0.93 2.28 2.35 -0.48 0.61 115.58 121.07 2yuk h ASN 77 Ca 0.41 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 2yuk h ASN 77 Cb 0.11 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2yuk h ASN 77 CO -0.15 0.21 0.58 0.03 -1.65 0.00 0.00 177.43 176.44 2yuk h ARG 78 N 0.48 1.26 0.07 0.81 3.08 -1.19 -2.85 114.38 116.04 2yuk h ARG 78 Ca 0.46 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2yuk h ARG 78 Cb 1.03 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2yuk h ARG 78 CO -0.19 0.87 -0.04 0.00 -1.07 0.00 0.00 179.97 179.55 2yuk h ALA 79 N 1.35 -0.10 -0.99 0.04 0.00 -0.93 -2.80 119.26 115.83 2yuk h ALA 79 Ca 0.34 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.49 2yuk h ALA 79 Cb -0.08 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.57 2yuk h ALA 79 CO -0.07 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 178.73 2yuk h ALA 80 N 0.79 1.27 0.13 0.00 0.00 -1.34 0.32 119.26 120.43 2yuk h ALA 80 Ca -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2yuk h ALA 80 Cb 0.11 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2yuk h ALA 80 CO 0.02 -0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 178.52 2yuk h LEU 81 N 0.01 -0.15 -0.80 0.00 3.38 -1.52 0.25 115.31 116.48 2yuk h LEU 81 Ca 0.63 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.52 2yuk h LEU 81 Cb 1.34 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 2yuk h LEU 81 CO -0.91 0.12 0.39 -0.09 0.09 0.00 0.00 178.44 178.05 2yuk h ARG 82 N -0.42 0.58 0.25 1.13 1.12 -0.27 -2.85 114.38 113.91 2yuk h ARG 82 Ca -0.02 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2yuk h ARG 82 Cb 0.34 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2yuk h ARG 82 CO 0.03 0.38 -0.12 0.82 -3.11 0.00 0.00 179.97 177.97 2yuk h ILE 83 N 0.60 0.54 -2.18 1.20 5.03 -0.72 -3.46 117.51 118.52 2yuk h ILE 83 Ca 0.42 -0.91 -0.21 0.00 -0.12 0.00 0.00 64.86 64.03 2yuk h ILE 83 Cb 0.55 0.90 0.12 0.00 -3.03 0.00 0.00 36.82 35.36 2yuk h ILE 83 CO -0.34 0.14 -0.07 0.59 -0.68 0.00 0.00 178.15 177.78 2yuk n ASN 84 N -5.01 -3.00 -0.17 1.72 4.13 0.86 -4.97 115.26 108.83 2yuk n ASN 84 Ca -0.07 -0.56 0.08 0.00 1.68 0.00 0.00 54.58 55.71 2yuk n ASN 84 Cb 0.24 -0.57 0.14 0.00 -1.54 0.00 0.00 39.78 38.05 2yuk n ASN 84 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2yuk n LYS 85 N -4.07 1.72 -3.63 3.52 -0.00 -1.26 -4.88 118.16 109.56 2yuk n LYS 85 Ca 0.08 -2.46 -0.39 0.00 -0.00 0.00 0.00 58.31 55.53 2yuk n LYS 85 Cb 0.34 -1.47 -0.09 0.00 -0.00 0.00 0.00 35.03 33.81 2yuk n LYS 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2yuk s VAL 86 N -2.60 3.94 0.06 0.58 1.01 -1.26 -5.06 120.40 117.06 2yuk s VAL 86 Ca 0.29 -2.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 2yuk s VAL 86 Cb 0.25 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2yuk s VAL 86 CO 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 175.10 174.41 2yuk s GLN 87 N 1.11 0.65 -0.28 2.72 0.00 -1.26 -4.83 119.66 117.77 2yuk s GLN 87 Ca 0.08 -1.05 -0.20 0.00 -0.00 0.00 0.00 55.36 54.20 2yuk s GLN 87 Cb -0.24 0.24 0.10 0.00 0.00 0.00 0.00 33.01 33.11 2yuk s GLN 87 CO -0.02 -0.15 0.83 0.00 0.00 0.00 0.00 175.29 175.94 2yuk s MET 88 N -3.56 0.63 -0.01 9.60 0.23 -1.26 -5.06 119.30 119.87 2yuk s MET 88 Ca 0.03 0.93 -0.25 0.00 -1.03 0.00 0.00 55.69 55.37 2yuk s MET 88 Cb 0.05 0.21 -0.19 0.00 -1.53 0.00 0.00 34.83 33.37 2yuk s MET 88 CO -0.09 -0.11 1.28 1.03 -2.03 0.00 0.00 175.02 175.10 2yuk h SER 89 N 5.79 -0.08 0.00 -1.18 0.87 -2.06 -3.54 113.55 113.36 2yuk h SER 89 Ca -0.29 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2yuk h SER 89 Cb 1.19 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2yuk h SER 89 CO 0.13 0.35 0.00 -3.20 -0.53 0.00 0.00 176.83 173.58