#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 0.57 0.77 1.61 0.15 -1.26 -5.15 113.70 110.40 2yuk s SER 2 Ca 0.00 0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 2yuk s SER 2 Cb 0.00 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2yuk s SER 2 CO 0.00 -0.25 0.94 -1.20 1.20 0.00 0.00 173.24 173.93 2yuk n SER 3 N 5.34 0.22 -1.66 5.45 7.64 -1.26 -5.03 113.62 124.31 2yuk n SER 3 Ca -0.05 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2yuk n SER 3 Cb 0.50 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 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 1.02 4.43 2.75 0.23 0.00 -1.26 -5.16 105.19 107.20 2yuk n GLY 4 Ca 0.12 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.84 0.80 0.14 1.61 0.15 -1.26 -5.05 113.70 109.25 2yuk s SER 5 Ca 0.00 0.16 -0.23 0.00 0.70 0.00 0.00 55.95 56.58 2yuk s SER 5 Cb 0.00 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2yuk s SER 5 CO 0.00 -0.22 1.63 0.28 1.20 0.00 0.00 173.24 176.13 2yuk h SER 6 N 8.18 -0.76 -2.88 5.45 0.02 -2.05 -3.40 113.55 118.10 2yuk h SER 6 Ca -0.19 0.13 -0.32 0.00 -0.84 0.00 0.00 61.79 60.57 2yuk h SER 6 Cb 1.12 0.35 -0.36 0.00 0.14 0.00 0.00 62.40 63.64 2yuk h SER 6 CO 0.21 -0.29 -0.64 -0.83 -1.14 0.00 0.00 176.83 174.14 2yuk s GLY 7 N -2.72 0.06 -0.25 -3.77 0.00 -1.26 -5.13 107.32 94.25 2yuk s GLY 7 Ca -0.15 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 2yuk s GLY 7 CO 0.67 1.86 0.65 0.54 0.00 0.00 0.00 173.10 176.82 2yuk s ASN 8 N 2.29 -0.74 -0.77 1.64 4.22 -1.26 -5.08 114.94 115.23 2yuk s ASN 8 Ca 0.04 1.35 -0.26 0.00 -2.14 0.00 0.00 52.86 51.85 2yuk s ASN 8 Cb -0.14 1.32 -0.13 0.00 1.28 0.00 0.00 41.25 43.58 2yuk s ASN 8 CO -0.08 -0.23 2.42 0.00 -2.04 0.00 0.00 177.10 177.16 2yuk s ALA 9 N 0.75 0.74 -0.30 3.54 0.00 -1.26 -4.75 121.76 120.47 2yuk s ALA 9 Ca -0.03 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 2yuk s ALA 9 Cb -0.05 -4.56 0.18 0.00 0.00 0.00 0.00 23.12 18.68 2yuk s ALA 9 CO -0.05 -5.84 1.09 -1.14 0.00 0.00 0.00 175.76 169.81 2yuk s GLN 10 N 8.88 0.17 0.22 0.00 2.00 -1.26 -5.14 119.66 124.51 2yuk s GLN 10 Ca 0.93 0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 54.34 2yuk s GLN 10 Cb -0.13 0.19 -0.16 0.00 0.80 0.00 0.00 33.01 33.70 2yuk s GLN 10 CO 0.09 -0.15 0.61 2.89 -0.50 0.00 0.00 175.29 178.24 2yuk n ARG 11 N 5.28 0.24 -3.68 1.67 1.85 -1.26 -4.98 116.66 115.78 2yuk n ARG 11 Ca -0.07 0.09 -0.11 0.00 -1.00 0.00 0.00 57.85 56.75 2yuk n ARG 11 Cb 0.54 -1.15 -0.11 0.00 -1.05 0.00 0.00 32.46 30.68 2yuk n ARG 11 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2yuk s SER 12 N -0.92 -0.23 0.22 2.89 0.01 -1.26 -5.04 113.70 109.38 2yuk s SER 12 Ca 0.63 0.79 -0.08 0.00 1.31 0.00 0.00 55.95 58.60 2yuk s SER 12 Cb -0.89 0.85 0.24 0.00 0.21 0.00 0.00 66.02 66.43 2yuk s SER 12 CO 0.57 -0.21 1.85 0.71 0.41 0.00 0.00 173.24 176.57 2yuk h THR 13 N 5.92 1.09 -1.30 1.44 1.35 -2.00 -2.19 112.91 117.22 2yuk h THR 13 Ca -0.27 -0.32 0.46 0.00 -0.55 0.00 0.00 66.41 65.73 2yuk h THR 13 Cb 1.14 0.08 -0.14 0.00 -1.73 0.00 0.00 68.15 67.50 2yuk h THR 13 CO 0.23 0.17 0.82 0.18 -0.25 0.00 0.00 175.52 176.67 2yuk n LEU 14 N -4.63 0.23 0.08 3.87 4.32 -1.26 0.24 117.00 119.84 2yuk n LEU 14 Ca 0.09 1.41 -0.14 0.00 -0.02 0.00 0.00 56.01 57.36 2yuk n LEU 14 Cb 0.11 -0.69 -0.14 0.00 -1.62 0.00 0.00 43.42 41.08 2yuk n LEU 14 CO 0.33 -1.54 -0.08 0.50 -1.22 0.00 0.00 177.39 175.37 2yuk h LYS 15 N 0.00 0.19 0.49 3.23 3.11 -1.83 -3.33 116.57 118.42 2yuk h LYS 15 Ca 0.87 -0.32 -0.02 0.00 -2.81 0.00 0.00 60.65 58.36 2yuk h LYS 15 Cb 2.71 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 34.06 2yuk h LYS 15 CO -0.51 1.11 -0.31 -1.49 -2.81 0.00 0.00 179.45 175.44 2yuk h TRP 16 N 0.05 -0.84 -1.22 1.91 4.06 0.32 -2.42 115.95 117.80 2yuk h TRP 16 Ca -0.13 -0.01 0.40 0.00 2.06 0.00 0.00 58.89 61.21 2yuk h TRP 16 Cb 1.93 0.30 -0.13 0.00 -1.00 0.00 0.00 29.16 30.26 2yuk h TRP 16 CO 0.05 -0.46 0.76 1.05 -3.56 0.00 0.00 178.44 176.27 2yuk h GLU 17 N -0.76 0.13 -0.28 0.49 4.11 -1.53 0.62 114.58 117.37 2yuk h GLU 17 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2yuk h GLU 17 Cb 0.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2yuk h GLU 17 CO 0.06 0.09 0.17 -0.22 0.07 0.00 0.00 179.01 179.17 2yuk h LYS 18 N 0.13 0.38 -0.40 1.06 3.64 -1.55 -2.69 116.57 117.14 2yuk h LYS 18 Ca 0.79 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 60.05 2yuk h LYS 18 Cb 2.33 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 34.05 2yuk h LYS 18 CO -0.47 0.29 -0.14 0.93 -2.27 0.00 0.00 179.45 177.79 2yuk h GLU 19 N 0.36 0.72 -1.01 1.90 4.39 0.54 -2.94 114.58 118.54 2yuk h GLU 19 Ca 0.10 -0.25 0.29 0.00 0.34 0.00 0.00 59.36 59.85 2yuk h GLU 19 Cb 0.01 -0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 28.47 2yuk h GLU 19 CO -0.02 0.83 0.59 0.93 -1.16 0.00 0.00 179.01 180.18 2yuk h GLU 20 N 0.65 0.42 -0.33 2.33 4.39 -0.88 0.74 114.58 121.90 2yuk h GLU 20 Ca 0.11 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2yuk h GLU 20 Cb 0.61 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2yuk h GLU 20 CO 0.04 0.27 -0.04 0.00 -1.16 0.00 0.00 179.01 178.12 2yuk h ALA 21 N 1.78 1.31 0.00 3.43 0.00 -1.50 -1.77 119.26 122.51 2yuk h ALA 21 Ca 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2yuk h ALA 21 Cb 1.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2yuk h ALA 21 CO -0.53 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 2yuk h LEU 22 N 0.50 0.00 0.00 0.00 3.38 0.39 -3.47 115.31 116.11 2yuk h LEU 22 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2yuk h LEU 22 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2yuk h LEU 22 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2yuk n GLY 23 N -0.09 3.40 0.14 0.83 0.00 -0.67 -0.61 105.19 108.19 2yuk n GLY 23 Ca 0.01 0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 10.79 0.12 0.00 1.61 1.02 -1.26 -0.01 120.64 132.91 2yuk n GLU 24 Ca 0.00 0.61 0.12 0.00 -0.02 0.00 0.00 57.16 57.88 2yuk n GLU 24 Cb 0.00 -1.89 0.31 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.15 0.48 -1.64 3.49 2.81 0.22 -4.95 117.12 115.38 2yuk n MET 25 Ca -0.01 -0.29 -0.64 0.00 -1.81 0.00 0.00 57.70 54.95 2yuk n MET 25 Cb 0.03 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 30.96 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 -1.00 -1.82 0.67 3.04 0.00 0.99 -4.77 120.51 117.61 2yuk n ALA 26 Ca 0.09 0.51 0.02 0.00 0.00 0.00 0.00 53.44 54.05 2yuk n ALA 26 Cb 0.34 -1.83 0.09 0.00 0.00 0.00 0.00 19.45 18.05 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 3.34 0.57 -4.34 0.00 -2.24 -1.26 -4.51 114.28 105.82 2yuk n THR 27 Ca 0.28 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 2yuk n THR 27 Cb -0.03 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.42 1.86 -0.02 2.28 1.01 -1.26 -4.49 120.40 118.35 2yuk s VAL 28 Ca 0.12 -1.98 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 2yuk s VAL 28 Cb 0.09 -1.90 -0.13 0.00 0.00 0.00 0.00 36.38 34.44 2yuk s VAL 28 CO 0.04 -0.35 0.88 0.00 0.00 0.00 0.00 175.10 175.67 2yuk h ALA 29 N 3.11 -0.53 0.03 5.51 0.00 -1.88 -2.81 119.26 122.68 2yuk h ALA 29 Ca -0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 29 Cb 1.21 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2yuk h ALA 29 CO 0.53 -0.55 -0.01 -1.00 0.00 0.00 0.00 179.25 178.22 2yuk h PRO 30 N -1.03 -0.04 0.00 0.00 0.13 -1.91 -1.55 132.00 127.60 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 0.52 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2yuk h PRO 30 CO 0.09 0.44 0.06 0.28 -0.23 0.00 0.00 178.00 178.64 2yuk h VAL 31 N -0.53 0.00 0.00 1.56 2.07 -1.89 -2.65 116.25 114.82 2yuk h VAL 31 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 2yuk h VAL 31 Cb 0.49 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2yuk h VAL 31 CO 0.01 0.00 -1.22 -0.11 0.02 0.00 0.00 177.57 176.27 2yuk n LEU 32 N -2.25 1.88 -0.32 2.57 7.94 -1.06 -3.60 117.00 122.16 2yuk n LEU 32 Ca -0.01 0.46 0.02 0.00 -1.11 0.00 0.00 56.01 55.37 2yuk n LEU 32 Cb 0.10 -0.86 0.09 0.00 0.53 0.00 0.00 43.42 43.27 2yuk n LEU 32 CO 0.09 -0.02 0.66 0.22 -1.11 0.00 0.00 177.39 177.24 2yuk h TYR 33 N -1.00 -0.63 -0.19 1.96 5.03 -0.94 0.14 116.97 121.34 2yuk h TYR 33 Ca -0.24 0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.14 2yuk h TYR 33 Cb 1.05 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 2yuk h TYR 33 CO -0.14 -0.39 0.07 1.79 -1.32 0.00 0.00 178.16 178.17 2yuk h THR 34 N -0.02 1.17 -0.95 1.81 1.35 -1.72 0.25 112.91 114.80 2yuk h THR 34 Ca 0.39 -0.52 0.29 0.00 -0.55 0.00 0.00 66.41 66.02 2yuk h THR 34 Cb 0.63 1.16 -0.15 0.00 -1.73 0.00 0.00 68.15 68.07 2yuk h THR 34 CO -0.90 0.16 0.42 0.78 -0.25 0.00 0.00 175.52 175.73 2yuk h ASN 35 N 0.14 0.29 0.00 5.36 2.35 -0.81 1.05 115.58 123.96 2yuk h ASN 35 Ca 0.06 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2yuk h ASN 35 Cb 0.19 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2yuk h ASN 35 CO -0.00 -0.15 -0.18 0.40 -1.65 0.00 0.00 177.43 175.85 2yuk h ILE 36 N 0.27 0.00 -0.49 2.81 2.04 -1.12 -3.35 117.51 117.67 2yuk h ILE 36 Ca 0.66 -0.48 0.10 0.00 1.00 0.00 0.00 64.86 66.14 2yuk h ILE 36 Cb 1.44 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 2yuk h ILE 36 CO -0.63 0.00 -0.26 0.78 0.00 0.00 0.00 178.15 178.03 2yuk h ASN 37 N -0.48 -0.90 -3.89 1.72 2.35 -0.37 -3.22 115.58 110.79 2yuk h ASN 37 Ca 0.00 0.19 -0.74 0.00 -0.55 0.00 0.00 56.30 55.20 2yuk h ASN 37 Cb 0.18 0.47 -0.31 0.00 0.05 0.00 0.00 38.32 38.70 2yuk h ASN 37 CO 0.00 -0.27 -0.08 -0.36 -1.65 0.00 0.00 177.43 175.07 2yuk s PHE 38 N -6.08 3.68 0.10 1.19 0.40 0.36 -4.90 117.98 112.72 2yuk s PHE 38 Ca -0.14 -2.48 -0.15 0.00 -0.60 0.00 0.00 56.93 53.56 2yuk s PHE 38 Cb 0.15 -3.50 -0.09 0.00 0.51 0.00 0.00 43.02 40.10 2yuk s PHE 38 CO 0.70 -0.89 1.42 -1.00 0.70 0.00 0.00 175.22 176.14 2yuk h PRO 39 N 7.15 0.68 -0.49 0.24 0.13 -1.68 -3.00 132.00 135.04 2yuk h PRO 39 Ca 0.07 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2yuk h PRO 39 Cb 0.96 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2yuk h PRO 39 CO 0.77 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.60 2yuk n ASN 40 N -4.28 2.40 -0.31 1.44 5.03 -1.26 -4.54 115.26 113.74 2yuk n ASN 40 Ca -0.04 -2.12 -0.08 0.00 0.87 0.00 0.00 54.58 53.20 2yuk n ASN 40 Cb 0.46 -0.34 -0.07 0.00 -1.02 0.00 0.00 39.78 38.81 2yuk n ASN 40 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2yuk n LEU 41 N 0.54 -0.79 -0.25 3.41 7.94 -1.13 0.55 117.00 127.27 2yuk n LEU 41 Ca 0.13 1.52 0.17 0.00 -1.11 0.00 0.00 56.01 56.72 2yuk n LEU 41 Cb 0.43 -0.27 0.32 0.00 0.53 0.00 0.00 43.42 44.43 2yuk n LEU 41 CO 0.11 -1.18 0.68 2.29 -1.11 0.00 0.00 177.39 178.18 2yuk n LYS 42 N -4.73 -0.05 0.42 1.96 2.85 -1.26 0.44 118.16 117.79 2yuk n LYS 42 Ca 0.01 1.08 -0.20 0.00 -1.05 0.00 0.00 58.31 58.16 2yuk n LYS 42 Cb 0.19 -1.81 -0.10 0.00 -0.65 0.00 0.00 35.03 32.67 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 -1.14 -0.89 -1.58 5.08 -0.25 -0.64 114.58 115.16 2yuk h GLU 43 Ca 0.53 0.08 0.19 0.00 -1.00 0.00 0.00 59.36 59.16 2yuk h GLU 43 Cb 1.26 0.26 -0.11 0.00 0.50 0.00 0.00 28.75 30.66 2yuk h GLU 43 CO -0.64 -0.76 0.43 0.93 -1.00 0.00 0.00 179.01 177.97 2yuk h GLU 44 N -1.18 0.49 -2.96 2.33 4.39 0.08 -3.32 114.58 114.42 2yuk h GLU 44 Ca -0.10 -0.03 -0.58 0.00 0.34 0.00 0.00 59.36 58.99 2yuk h GLU 44 Cb 0.95 -0.11 -0.40 0.00 -0.10 0.00 0.00 28.75 29.10 2yuk h GLU 44 CO 0.09 0.32 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.42 2yuk s PHE 45 N -5.91 1.27 0.02 4.33 0.40 -0.65 -5.00 117.98 112.45 2yuk s PHE 45 Ca -0.12 -1.79 -0.22 0.00 -0.60 0.00 0.00 56.93 54.20 2yuk s PHE 45 Cb 0.24 -1.39 -0.16 0.00 0.51 0.00 0.00 43.02 42.21 2yuk s PHE 45 CO 0.78 -0.83 1.32 -1.00 0.70 0.00 0.00 175.22 176.19 2yuk h PRO 46 N 7.36 0.23 -6.37 0.24 0.13 -1.23 -3.40 132.00 128.96 2yuk h PRO 46 Ca -0.04 -0.12 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 2yuk h PRO 46 Cb 0.97 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2yuk h PRO 46 CO 0.40 0.65 1.15 -0.51 -0.23 0.00 0.00 178.00 179.47 2yuk s ASP 47 N -5.97 6.20 0.11 1.44 1.01 -1.26 -4.89 116.67 113.30 2yuk s ASP 47 Ca -0.15 1.19 -0.26 0.00 0.71 0.00 0.00 52.55 54.04 2yuk s ASP 47 Cb 0.04 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.36 2yuk s ASP 47 CO 0.73 -1.48 1.43 -0.25 0.21 0.00 0.00 175.17 175.81 2yuk h TRP 48 N 11.44 -1.40 -1.17 4.23 2.91 -1.97 0.72 115.95 130.71 2yuk h TRP 48 Ca -0.31 0.07 0.34 0.00 1.13 0.00 0.00 58.89 60.12 2yuk h TRP 48 Cb 1.14 0.67 -0.05 0.00 -0.51 0.00 0.00 29.16 30.41 2yuk h TRP 48 CO 0.95 -0.37 1.23 1.15 -1.03 0.00 0.00 178.44 180.37 2yuk h THR 49 N -0.24 0.02 0.01 2.65 2.02 -1.97 1.32 112.91 116.72 2yuk h THR 49 Ca 0.07 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.89 2yuk h THR 49 Cb 0.44 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.81 2yuk h THR 49 CO -0.54 0.00 -2.31 0.41 0.37 0.00 0.00 175.52 173.45 2yuk n THR 50 N -3.38 1.49 0.04 3.16 -1.04 0.20 -4.37 114.28 110.39 2yuk n THR 50 Ca 0.26 -0.72 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 2yuk n THR 50 Cb 1.58 -1.02 -0.09 0.00 -1.82 0.00 0.00 70.33 68.98 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 0.01 -0.15 -0.98 -2.82 2.43 0.63 -3.25 114.38 110.25 2yuk h ARG 51 Ca -0.52 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 58.95 2yuk h ARG 51 Cb 2.07 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 31.47 2yuk h ARG 51 CO -0.00 0.31 0.12 -0.24 -1.51 0.00 0.00 179.97 178.65 2yuk h VAL 52 N -0.70 0.04 -0.97 0.20 3.04 -0.51 1.18 116.25 118.53 2yuk h VAL 52 Ca -0.02 -0.01 0.15 0.00 -1.01 0.00 0.00 66.70 65.82 2yuk h VAL 52 Cb 0.53 0.01 -0.09 0.00 -2.01 0.00 0.00 31.29 29.74 2yuk h VAL 52 CO 0.03 0.00 0.61 0.11 -1.01 0.00 0.00 177.57 177.31 2yuk h LYS 53 N 0.02 0.80 0.15 4.17 1.57 -1.76 -2.09 116.57 119.44 2yuk h LYS 53 Ca 0.63 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.36 2yuk h LYS 53 Cb 1.38 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2yuk h LYS 53 CO -0.88 0.53 -0.07 1.96 -0.57 0.00 0.00 179.45 180.42 2yuk h GLN 54 N 0.82 -0.20 -1.31 3.15 1.08 0.13 -2.82 115.11 115.96 2yuk h GLN 54 Ca 0.51 0.01 0.38 0.00 -1.45 0.00 0.00 58.65 58.10 2yuk h GLN 54 Cb 0.71 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.11 2yuk h GLN 54 CO -0.28 0.12 0.92 0.82 -0.95 0.00 0.00 178.83 179.46 2yuk h ILE 55 N -0.53 0.33 0.30 2.54 2.04 -0.95 0.19 117.51 121.43 2yuk h ILE 55 Ca -0.02 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2yuk h ILE 55 Cb 0.41 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2yuk h ILE 55 CO 0.03 0.01 -0.15 0.00 0.00 0.00 0.00 178.15 178.05 2yuk h ALA 56 N 1.40 -0.46 -0.36 1.87 0.00 -1.29 -2.37 119.26 118.05 2yuk h ALA 56 Ca 0.66 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.55 2yuk h ALA 56 Cb 2.43 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 20.32 2yuk h ALA 56 CO -0.10 -0.43 -0.04 1.57 0.00 0.00 0.00 179.25 180.25 2yuk h LYS 57 N -0.96 0.05 -0.45 0.00 2.10 -1.02 0.71 116.57 117.00 2yuk h LYS 57 Ca -0.04 -0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 2yuk h LYS 57 Cb 0.31 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.61 2yuk h LYS 57 CO 0.07 0.03 0.30 -0.07 -2.00 0.00 0.00 179.45 177.79 2yuk h LEU 58 N 0.05 0.37 -0.32 7.07 3.38 -0.81 -1.37 115.31 123.70 2yuk h LEU 58 Ca 0.18 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 2yuk h LEU 58 Cb 0.26 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2yuk h LEU 58 CO -0.33 0.25 -0.77 -0.25 0.09 0.00 0.00 178.44 177.43 2yuk h TRP 59 N 0.43 0.67 0.11 1.13 2.91 -0.50 -3.29 115.95 117.41 2yuk h TRP 59 Ca 0.19 -0.31 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 2yuk h TRP 59 Cb 0.22 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 2yuk h TRP 59 CO -0.00 1.09 -0.05 0.00 -1.03 0.00 0.00 178.44 178.44 2yuk h ARG 60 N 0.32 -0.14 -0.95 2.65 2.47 0.15 -2.96 114.38 115.93 2yuk h ARG 60 Ca -0.04 0.01 0.23 0.00 -1.26 0.00 0.00 59.98 58.92 2yuk h ARG 60 Cb 1.37 0.03 -0.18 0.00 -1.65 0.00 0.00 29.97 29.55 2yuk h ARG 60 CO 0.14 0.00 -0.06 -0.22 0.56 0.00 0.00 179.97 180.39 2yuk h LYS 61 N -0.26 0.02 -6.63 0.04 3.64 -1.48 -3.39 116.57 108.52 2yuk h LYS 61 Ca -0.01 -0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.84 2yuk h LYS 61 Cb 0.21 -0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2yuk h LYS 61 CO 0.02 0.01 0.99 0.00 -2.27 0.00 0.00 179.45 178.21 2yuk s ALA 62 N -6.10 3.89 0.61 5.00 0.00 -1.12 -4.98 121.76 119.06 2yuk s ALA 62 Ca -0.14 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 2yuk s ALA 62 Cb 0.27 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2yuk s ALA 62 CO 0.77 -0.92 1.03 -1.12 0.00 0.00 0.00 175.76 175.53 2yuk s SER 63 N 1.30 6.11 0.22 0.00 0.01 -1.26 -4.76 113.70 115.32 2yuk s SER 63 Ca 0.74 1.51 -0.16 0.00 1.31 0.00 0.00 55.95 59.36 2yuk s SER 63 Cb -0.48 -2.49 0.24 0.00 0.21 0.00 0.00 66.02 63.51 2yuk s SER 63 CO 0.32 -0.95 1.58 0.28 0.41 0.00 0.00 173.24 174.88 2yuk h SER 64 N -0.11 -1.12 -0.63 2.44 0.02 -1.93 1.21 113.55 113.43 2yuk h SER 64 Ca -0.45 0.26 0.18 0.00 -0.84 0.00 0.00 61.79 60.94 2yuk h SER 64 Cb 1.19 0.62 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 2yuk h SER 64 CO 0.61 -0.29 0.45 0.06 -1.14 0.00 0.00 176.83 176.51 2yuk h GLN 65 N -0.06 0.04 0.11 3.45 3.07 -2.00 0.38 115.11 120.10 2yuk h GLN 65 Ca 0.33 -0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.79 2yuk h GLN 65 Cb 0.59 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.15 2yuk h GLN 65 CO -0.85 0.03 -1.19 1.49 0.09 0.00 0.00 178.83 178.40 2yuk h GLU 66 N 0.04 0.39 0.00 0.06 4.57 0.11 -3.23 114.58 116.52 2yuk h GLU 66 Ca 0.30 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2yuk h GLU 66 Cb 1.15 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2yuk h GLU 66 CO -0.02 1.24 0.00 0.00 -1.18 0.00 0.00 179.01 179.05 2yuk h ARG 67 N 0.15 0.00 -0.77 1.92 3.08 0.98 -3.36 114.38 116.38 2yuk h ARG 67 Ca -0.14 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.99 2yuk h ARG 67 Cb 1.88 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.83 2yuk h ARG 67 CO 0.21 0.00 -0.40 0.00 -1.07 0.00 0.00 179.97 178.71 2yuk n ALA 68 N -1.91 -0.35 0.02 0.04 0.00 0.11 0.18 120.51 118.59 2yuk n ALA 68 Ca 0.05 0.69 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 2yuk n ALA 68 Cb 0.47 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.81 -2.58 132.00 127.65 2yuk h PRO 69 Ca 0.17 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2yuk h PRO 69 Cb 0.37 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2yuk h PRO 69 CO -0.74 0.36 0.02 1.88 -0.23 0.00 0.00 178.00 179.29 2yuk h TYR 70 N -0.58 0.00 0.17 1.56 0.05 -1.32 0.12 116.97 116.97 2yuk h TYR 70 Ca -0.01 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.43 2yuk h TYR 70 Cb 0.49 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 -1.72 0.28 -1.05 0.00 0.00 178.16 175.75 2yuk h VAL 71 N 0.00 0.93 0.01 -2.88 2.07 0.19 -3.28 116.25 113.29 2yuk h VAL 71 Ca 0.00 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 64.99 2yuk h VAL 71 Cb 0.04 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2yuk h VAL 71 CO 0.00 0.84 -0.20 -0.61 0.02 0.00 0.00 177.57 177.62 2yuk h GLN 72 N 0.05 0.12 -0.75 1.57 5.75 -0.86 -3.28 115.11 117.70 2yuk h GLN 72 Ca -0.35 -0.14 0.16 0.00 -0.15 0.00 0.00 58.65 58.17 2yuk h GLN 72 Cb 2.05 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 30.53 2yuk h GLN 72 CO 0.16 0.93 0.22 -0.22 -2.65 0.00 0.00 178.83 177.27 2yuk h LYS 73 N -0.63 0.31 -0.53 1.69 3.64 -1.00 -0.14 116.57 119.90 2yuk h LYS 73 Ca -0.03 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2yuk h LYS 73 Cb 1.01 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.68 2yuk h LYS 73 CO 0.04 0.21 0.11 0.00 -2.27 0.00 0.00 179.45 177.53 2yuk h ALA 74 N 1.60 0.60 0.03 5.00 0.00 -1.65 0.25 119.26 125.09 2yuk h ALA 74 Ca 0.42 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2yuk h ALA 74 Cb 0.71 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2yuk h ALA 74 CO -0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 179.25 178.45 2yuk h ARG 75 N 0.24 -0.04 -0.98 0.00 3.08 -1.14 -2.94 114.38 112.60 2yuk h ARG 75 Ca 0.27 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.39 2yuk h ARG 75 Cb 0.37 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 2yuk h ARG 75 CO -0.35 0.17 0.63 0.22 -1.07 0.00 0.00 179.97 179.57 2yuk h ASP 76 N -0.24 1.00 -0.98 7.04 1.82 -0.72 -1.56 116.42 122.78 2yuk h ASP 76 Ca -0.00 0.01 0.16 0.00 -0.39 0.00 0.00 57.03 56.81 2yuk h ASP 76 Cb 0.22 -0.21 -0.09 0.00 0.68 0.00 0.00 39.33 39.94 2yuk h ASP 76 CO 0.01 0.64 0.61 0.78 -1.61 0.00 0.00 179.24 179.67 2yuk h ASN 77 N 1.14 0.77 -0.94 2.28 2.35 -0.34 0.26 115.58 121.09 2yuk h ASN 77 Ca 0.42 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 2yuk h ASN 77 Cb 0.18 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2yuk h ASN 77 CO -0.17 0.34 0.61 0.03 -1.65 0.00 0.00 177.43 176.59 2yuk h ARG 78 N 0.78 1.25 -0.08 0.81 3.08 -1.21 -2.78 114.38 116.24 2yuk h ARG 78 Ca 0.52 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 2yuk h ARG 78 Cb 0.78 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2yuk h ARG 78 CO -0.29 0.84 0.04 0.00 -1.07 0.00 0.00 179.97 179.48 2yuk h ALA 79 N 1.39 0.10 -0.99 0.04 0.00 -0.96 -3.09 119.26 115.74 2yuk h ALA 79 Ca 0.34 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.34 2yuk h ALA 79 Cb -0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.47 2yuk h ALA 79 CO -0.07 -0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.49 2yuk n ALA 80 N -2.18 -0.03 -0.09 0.00 0.00 -1.00 -0.36 120.51 116.84 2yuk n ALA 80 Ca -0.06 1.02 -0.09 0.00 0.00 0.00 0.00 53.44 54.31 2yuk n ALA 80 Cb 0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.16 -0.21 0.00 3.38 -1.55 0.21 115.31 115.98 2yuk h LEU 81 Ca 0.38 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.57 2yuk h LEU 81 Cb 0.63 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2yuk h LEU 81 CO -1.00 -0.34 -0.51 0.03 0.09 0.00 0.00 178.44 176.71 2yuk h ARG 82 N -0.31 -0.46 0.39 1.13 2.47 -0.75 -2.90 114.38 113.96 2yuk h ARG 82 Ca 0.15 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2yuk h ARG 82 Cb 0.56 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 2yuk h ARG 82 CO -0.51 -0.31 -0.39 0.82 0.56 0.00 0.00 179.97 180.14 2yuk h ILE 83 N -0.48 0.00 -2.55 2.04 5.03 -0.94 -3.32 117.51 117.30 2yuk h ILE 83 Ca 0.04 0.00 -0.55 0.00 -0.12 0.00 0.00 64.86 64.23 2yuk h ILE 83 Cb 0.60 0.00 0.06 0.00 -3.03 0.00 0.00 36.82 34.45 2yuk h ILE 83 CO -0.45 0.00 0.90 -3.20 -0.68 0.00 0.00 178.15 174.72 2yuk n ASN 84 N -4.76 3.56 -3.65 1.72 4.05 0.69 -2.15 115.26 114.72 2yuk n ASN 84 Ca -0.09 1.08 -0.22 0.00 0.45 0.00 0.00 54.58 55.80 2yuk n ASN 84 Cb 0.36 -1.51 0.05 0.00 1.23 0.00 0.00 39.78 39.91 2yuk n ASN 84 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2yuk n LYS 85 N 3.52 -5.75 -2.51 1.20 4.76 -1.26 -4.76 118.16 113.35 2yuk n LYS 85 Ca 0.16 0.70 -0.39 0.00 -2.87 0.00 0.00 58.31 55.90 2yuk n LYS 85 Cb 0.32 -5.47 -0.04 0.00 -1.84 0.00 0.00 35.03 28.00 2yuk n LYS 85 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2yuk s VAL 86 N -3.50 3.59 0.08 -0.18 0.11 -0.91 -5.01 120.40 114.58 2yuk s VAL 86 Ca 0.15 1.52 -0.26 0.00 -2.93 0.00 0.00 61.98 60.46 2yuk s VAL 86 Cb -0.07 -3.93 -0.06 0.00 -1.53 0.00 0.00 36.38 30.78 2yuk s VAL 86 CO 0.79 0.30 0.79 0.00 -3.33 0.00 0.00 175.10 173.65 2yuk s GLN 87 N -1.64 4.54 -0.06 1.54 1.03 -1.26 -4.98 119.66 118.83 2yuk s GLN 87 Ca 0.47 1.13 -0.09 0.00 0.04 0.00 0.00 55.36 56.91 2yuk s GLN 87 Cb -0.29 -3.34 -0.03 0.00 0.03 0.00 0.00 33.01 29.38 2yuk s GLN 87 CO 0.37 0.35 -0.18 -0.12 -2.54 0.00 0.00 175.29 173.17 2yuk n MET 88 N 2.50 0.27 -1.47 9.60 1.56 -1.26 -4.97 117.12 123.35 2yuk n MET 88 Ca -0.03 0.11 -0.63 0.00 -0.27 0.00 0.00 57.70 56.88 2yuk n MET 88 Cb 0.50 -0.94 -0.11 0.00 2.15 0.00 0.00 33.22 34.82 2yuk n MET 88 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2yuk n SER 89 N -3.81 0.95 0.00 6.12 3.41 -1.26 -5.36 113.62 113.67 2yuk n SER 89 Ca -0.07 0.90 0.11 0.00 -0.26 0.00 0.00 58.87 59.55 2yuk n SER 89 Cb 0.26 -0.89 0.68 0.00 -0.26 0.00 0.00 64.21 64.00 2yuk n SER 89 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47