#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 -0.23 0.03 1.61 0.15 -1.26 -5.13 113.70 108.88 2yuk s SER 2 Ca 0.00 -0.66 -0.39 0.00 0.70 0.00 0.00 55.95 55.61 2yuk s SER 2 Cb 0.00 0.73 -0.19 0.00 -1.71 0.00 0.00 66.02 64.85 2yuk s SER 2 CO 0.00 -1.36 1.12 -0.24 1.20 0.00 0.00 173.24 173.96 2yuk n SER 3 N -0.56 0.40 0.00 5.45 2.88 -1.26 -4.91 113.62 115.62 2yuk n SER 3 Ca -0.05 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2yuk n SER 3 Cb 0.59 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2yuk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuk n GLY 4 N 1.79 -0.89 3.41 0.46 0.00 -1.26 -4.64 105.19 104.05 2yuk n GLY 4 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.61 4.86 0.65 1.61 1.04 -1.26 -5.05 113.70 112.94 2yuk s SER 5 Ca 0.00 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.20 2yuk s SER 5 Cb 0.00 -1.86 0.10 0.00 0.10 0.00 0.00 66.02 64.36 2yuk s SER 5 CO 0.00 -0.02 0.89 -0.44 0.98 0.00 0.00 173.24 174.66 2yuk s SER 6 N 1.51 4.72 -0.15 7.02 0.01 -1.26 -5.10 113.70 120.44 2yuk s SER 6 Ca 0.06 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2yuk s SER 6 Cb -0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2yuk s SER 6 CO 0.01 -1.58 -0.15 -0.83 0.41 0.00 0.00 173.24 171.10 2yuk s GLY 7 N -4.66 1.48 0.27 3.44 0.00 -1.26 -5.00 107.32 101.60 2yuk s GLY 7 Ca 0.63 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2yuk s GLY 7 CO 0.42 -0.05 0.19 -1.31 0.00 0.00 0.00 173.10 172.35 2yuk s ASN 8 N 0.67 1.00 -0.06 1.64 0.01 -1.26 -5.10 114.94 111.84 2yuk s ASN 8 Ca -0.08 -1.56 -0.05 0.00 -0.71 0.00 0.00 52.86 50.47 2yuk s ASN 8 Cb -0.16 0.45 -0.02 0.00 0.41 0.00 0.00 41.25 41.93 2yuk s ASN 8 CO 0.02 -0.93 0.22 0.00 -1.51 0.00 0.00 177.10 174.90 2yuk h ALA 9 N 2.36 -0.19 -2.50 0.60 0.00 -2.07 -3.46 119.26 114.00 2yuk h ALA 9 Ca -0.31 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 2yuk h ALA 9 Cb 1.24 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2yuk h ALA 9 CO 0.46 -0.18 0.15 -0.65 0.00 0.00 0.00 179.25 179.03 2yuk s GLN 10 N -2.02 4.30 1.11 0.00 -0.21 -1.26 -5.04 119.66 116.53 2yuk s GLN 10 Ca -0.02 0.94 -0.20 0.00 0.02 0.00 0.00 55.36 56.10 2yuk s GLN 10 Cb 0.00 -2.84 0.07 0.00 1.00 0.00 0.00 33.01 31.25 2yuk s GLN 10 CO 0.07 0.36 -0.20 2.89 -2.12 0.00 0.00 175.29 176.29 2yuk n ARG 11 N 0.63 -1.46 -3.59 2.91 -4.01 -1.26 -5.04 116.66 104.83 2yuk n ARG 11 Ca -0.01 -0.41 -0.05 0.00 -1.04 0.00 0.00 57.85 56.34 2yuk n ARG 11 Cb 0.51 -1.61 -0.02 0.00 -3.04 0.00 0.00 32.46 28.31 2yuk n ARG 11 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2yuk s SER 12 N -1.74 -0.20 0.38 2.89 1.04 -1.26 -5.02 113.70 109.79 2yuk s SER 12 Ca 0.53 -0.09 0.17 0.00 0.48 0.00 0.00 55.95 57.04 2yuk s SER 12 Cb -0.09 0.28 1.06 0.00 0.10 0.00 0.00 66.02 67.38 2yuk s SER 12 CO 0.65 -0.48 1.75 0.71 0.98 0.00 0.00 173.24 176.86 2yuk h THR 13 N 2.00 0.50 -1.48 2.02 1.35 -2.00 0.13 112.91 115.44 2yuk h THR 13 Ca -0.19 -0.15 0.45 0.00 -0.55 0.00 0.00 66.41 65.97 2yuk h THR 13 Cb 1.21 0.04 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 2yuk h THR 13 CO 0.27 0.08 1.02 -0.07 -0.25 0.00 0.00 175.52 176.56 2yuk h LEU 14 N 0.42 0.13 0.11 3.87 3.38 -1.96 0.87 115.31 122.13 2yuk h LEU 14 Ca 0.62 0.06 -0.32 0.00 0.09 0.00 0.00 57.88 58.34 2yuk h LEU 14 Cb 1.50 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 2yuk h LEU 14 CO -0.36 -0.07 -1.64 0.50 0.09 0.00 0.00 178.44 176.97 2yuk h LYS 15 N 0.06 0.24 0.13 1.13 3.11 -1.12 -3.36 116.57 116.76 2yuk h LYS 15 Ca 0.79 -0.41 0.02 0.00 -2.81 0.00 0.00 60.65 58.23 2yuk h LYS 15 Cb 2.81 0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 34.14 2yuk h LYS 15 CO -0.19 1.09 -0.42 -1.49 -2.81 0.00 0.00 179.45 175.62 2yuk h TRP 16 N 0.07 -1.18 -0.99 1.91 4.06 0.78 -1.32 115.95 119.27 2yuk h TRP 16 Ca -0.28 0.03 0.29 0.00 2.06 0.00 0.00 58.89 60.99 2yuk h TRP 16 Cb 2.03 0.50 -0.14 0.00 -1.00 0.00 0.00 29.16 30.54 2yuk h TRP 16 CO 0.06 -0.52 0.55 1.05 -3.56 0.00 0.00 178.44 176.03 2yuk h GLU 17 N -0.66 0.38 0.17 0.49 4.11 -1.56 0.15 114.58 117.66 2yuk h GLU 17 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2yuk h GLU 17 Cb 0.68 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2yuk h GLU 17 CO -0.24 0.25 -0.08 -0.22 0.07 0.00 0.00 179.01 178.79 2yuk h LYS 18 N 0.39 -0.22 -0.72 1.06 3.64 -1.41 -2.89 116.57 116.42 2yuk h LYS 18 Ca 0.70 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 60.08 2yuk h LYS 18 Cb 1.51 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.34 2yuk h LYS 18 CO -0.57 -0.07 0.40 0.93 -2.27 0.00 0.00 179.45 177.86 2yuk h GLU 19 N -0.32 1.00 -1.25 1.90 4.39 -0.20 -2.19 114.58 117.91 2yuk h GLU 19 Ca -0.02 -0.11 0.36 0.00 0.34 0.00 0.00 59.36 59.93 2yuk h GLU 19 Cb 0.25 -0.20 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2yuk h GLU 19 CO 0.04 0.73 0.88 0.93 -1.16 0.00 0.00 179.01 180.43 2yuk h GLU 20 N 1.01 0.09 -0.06 2.33 4.39 -0.60 0.93 114.58 122.66 2yuk h GLU 20 Ca 0.26 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 2yuk h GLU 20 Cb 0.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2yuk h GLU 20 CO -0.04 0.06 -0.70 0.00 -1.16 0.00 0.00 179.01 177.17 2yuk h ALA 21 N 1.43 0.70 0.00 3.43 0.00 -1.41 -2.98 119.26 120.43 2yuk h ALA 21 Ca 0.63 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2yuk h ALA 21 Cb 2.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 2yuk h ALA 21 CO -0.11 0.78 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 2yuk h LEU 22 N 0.19 0.00 0.00 0.00 3.38 0.81 -3.47 115.31 116.22 2yuk h LEU 22 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2yuk h LEU 22 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2yuk h LEU 22 CO 0.11 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2yuk n GLY 23 N -0.19 3.12 0.00 0.83 0.00 -0.99 -1.29 105.19 106.66 2yuk n GLY 23 Ca -0.00 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 8.43 0.01 0.00 1.61 1.02 -1.26 -0.98 120.64 129.48 2yuk n GLU 24 Ca 0.00 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.60 2yuk n GLU 24 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.48 0.13 -1.56 3.49 2.81 -0.41 -4.97 117.12 115.13 2yuk n MET 25 Ca 0.02 -0.09 -0.61 0.00 -1.81 0.00 0.00 57.70 55.21 2yuk n MET 25 Cb 0.09 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.02 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 -1.36 -2.51 1.76 3.04 0.00 -0.15 -4.79 120.51 116.51 2yuk n ALA 26 Ca 0.06 0.54 0.06 0.00 0.00 0.00 0.00 53.44 54.09 2yuk n ALA 26 Cb 0.34 -1.78 0.31 0.00 0.00 0.00 0.00 19.45 18.33 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 2.58 0.08 -4.16 0.00 -2.24 -1.26 -4.40 114.28 104.88 2yuk n THR 27 Ca 0.24 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 2yuk n THR 27 Cb 0.01 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.92 4.02 -0.03 2.28 1.01 -1.26 -4.27 120.40 120.24 2yuk s VAL 28 Ca 0.20 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.64 2yuk s VAL 28 Cb 0.10 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 2yuk s VAL 28 CO 0.15 -0.16 0.81 0.00 0.00 0.00 0.00 175.10 175.91 2yuk h ALA 29 N 2.42 -0.49 0.06 5.51 0.00 -1.88 -2.95 119.26 121.92 2yuk h ALA 29 Ca -0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2yuk h ALA 29 Cb 1.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2yuk h ALA 29 CO 0.60 -0.50 -0.03 -1.00 0.00 0.00 0.00 179.25 178.32 2yuk h PRO 30 N -1.04 -0.07 0.00 0.00 0.13 -1.94 -1.71 132.00 127.37 2yuk h PRO 30 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2yuk h PRO 30 Cb 0.49 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2yuk h PRO 30 CO 0.08 0.38 0.11 0.28 -0.23 0.00 0.00 178.00 178.63 2yuk h VAL 31 N -0.57 0.00 0.00 1.56 2.07 -1.92 -2.32 116.25 115.08 2yuk h VAL 31 Ca -0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.26 2yuk h VAL 31 Cb 0.49 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2yuk h VAL 31 CO 0.01 0.00 -1.53 -0.11 0.02 0.00 0.00 177.57 175.96 2yuk n LEU 32 N -2.21 1.89 -0.19 2.57 7.94 -1.11 -3.63 117.00 122.25 2yuk n LEU 32 Ca -0.01 0.42 -0.05 0.00 -1.11 0.00 0.00 56.01 55.26 2yuk n LEU 32 Cb 0.14 -0.88 0.01 0.00 0.53 0.00 0.00 43.42 43.22 2yuk n LEU 32 CO 0.09 0.20 0.65 0.22 -1.11 0.00 0.00 177.39 177.43 2yuk h TYR 33 N -1.00 -0.84 -0.48 1.96 5.03 -0.77 -0.30 116.97 120.56 2yuk h TYR 33 Ca -0.37 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.00 2yuk h TYR 33 Cb 1.25 0.45 -0.02 0.00 1.55 0.00 0.00 36.73 39.96 2yuk h TYR 33 CO -0.06 -0.37 0.29 1.79 -1.32 0.00 0.00 178.16 178.49 2yuk h THR 34 N -0.16 1.15 -1.09 1.81 1.35 -1.70 0.24 112.91 114.51 2yuk h THR 34 Ca 0.23 -0.34 0.30 0.00 -0.55 0.00 0.00 66.41 66.05 2yuk h THR 34 Cb 0.54 0.50 -0.08 0.00 -1.73 0.00 0.00 68.15 67.38 2yuk h THR 34 CO -0.65 0.15 0.73 0.78 -0.25 0.00 0.00 175.52 176.28 2yuk h ASN 35 N 0.65 0.30 0.00 5.36 2.35 -1.14 0.77 115.58 123.87 2yuk h ASN 35 Ca 0.17 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2yuk h ASN 35 Cb -0.01 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2yuk h ASN 35 CO -0.03 0.04 -0.37 -0.38 -1.65 0.00 0.00 177.43 175.04 2yuk n ILE 36 N -4.50 0.79 -0.13 2.81 5.41 -0.85 -4.22 119.36 118.67 2yuk n ILE 36 Ca 0.26 0.33 -0.05 0.00 1.00 0.00 0.00 62.75 64.30 2yuk n ILE 36 Cb 1.02 -1.98 0.02 0.00 -0.71 0.00 0.00 39.64 37.98 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 -0.55 -0.58 -3.88 4.38 2.35 -0.45 -3.25 115.58 113.61 2yuk h ASN 37 Ca 0.00 0.15 -0.74 0.00 -0.55 0.00 0.00 56.30 55.16 2yuk h ASN 37 Cb 0.37 0.34 -0.31 0.00 0.05 0.00 0.00 38.32 38.76 2yuk h ASN 37 CO 0.00 -0.20 -0.08 -0.36 -1.65 0.00 0.00 177.43 175.14 2yuk s PHE 38 N -6.17 3.68 0.07 1.19 0.40 0.27 -4.90 117.98 112.51 2yuk s PHE 38 Ca -0.14 -2.50 -0.18 0.00 -0.60 0.00 0.00 56.93 53.51 2yuk s PHE 38 Cb 0.15 -3.49 -0.11 0.00 0.51 0.00 0.00 43.02 40.08 2yuk s PHE 38 CO 0.71 -0.89 1.38 -1.00 0.70 0.00 0.00 175.22 176.12 2yuk h PRO 39 N 7.11 0.53 -0.55 0.24 0.13 -1.68 -2.99 132.00 134.79 2yuk h PRO 39 Ca 0.08 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 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 0.86 0.00 0.09 -0.23 0.00 0.00 178.00 179.49 2yuk n ASN 40 N -4.42 1.93 -0.25 1.44 3.02 -1.26 -4.42 115.26 111.30 2yuk n ASN 40 Ca -0.05 -2.15 -0.07 0.00 -0.03 0.00 0.00 54.58 52.28 2yuk n ASN 40 Cb 0.41 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.38 -1.53 -0.92 3.41 5.85 -1.86 0.26 115.31 121.90 2yuk h LEU 41 Ca 0.00 0.26 0.27 0.00 0.84 0.00 0.00 57.88 59.25 2yuk h LEU 41 Cb 0.65 0.71 -0.16 0.00 0.37 0.00 0.00 40.66 42.24 2yuk h LEU 41 CO 0.08 -0.32 0.24 0.07 -0.34 0.00 0.00 178.44 178.17 2yuk h LYS 42 N -0.17 0.14 0.77 1.25 2.10 -1.79 -0.04 116.57 118.83 2yuk h LYS 42 Ca 0.21 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.81 2yuk h LYS 42 Cb 0.55 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2yuk h LYS 42 CO -0.76 0.09 -0.37 0.93 -2.00 0.00 0.00 179.45 177.35 2yuk h GLU 43 N 0.15 -0.99 -1.00 0.07 5.08 -0.84 -2.09 114.58 114.95 2yuk h GLU 43 Ca 0.61 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 59.29 2yuk h GLU 43 Cb 1.30 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 30.65 2yuk h GLU 43 CO -0.73 -0.64 0.59 0.93 -1.00 0.00 0.00 179.01 178.16 2yuk h GLU 44 N -1.15 0.54 -3.01 2.33 4.39 -0.41 -3.28 114.58 113.99 2yuk h GLU 44 Ca -0.11 -0.03 -0.59 0.00 0.34 0.00 0.00 59.36 58.97 2yuk h GLU 44 Cb 0.81 -0.12 -0.40 0.00 -0.10 0.00 0.00 28.75 28.94 2yuk h GLU 44 CO 0.17 0.36 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.54 2yuk s PHE 45 N -5.76 1.43 0.08 4.33 0.08 -0.19 -4.99 117.98 112.96 2yuk s PHE 45 Ca -0.11 -1.90 -0.17 0.00 0.12 0.00 0.00 56.93 54.87 2yuk s PHE 45 Cb 0.28 -1.50 -0.11 0.00 -0.57 0.00 0.00 43.02 41.12 2yuk s PHE 45 CO 0.80 -0.82 1.39 -1.00 -0.10 0.00 0.00 175.22 175.49 2yuk h PRO 46 N 7.30 0.58 -6.50 0.24 0.13 -1.45 -3.41 132.00 128.88 2yuk h PRO 46 Ca -0.04 -0.31 -0.57 0.00 -0.87 0.00 0.00 66.00 64.22 2yuk h PRO 46 Cb 0.97 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 2yuk h PRO 46 CO 0.42 0.90 1.06 -0.51 -0.23 0.00 0.00 178.00 179.63 2yuk s ASP 47 N -6.40 6.39 0.14 1.44 1.01 -1.26 -4.92 116.67 113.07 2yuk s ASP 47 Ca -0.13 0.90 -0.31 0.00 0.71 0.00 0.00 52.55 53.72 2yuk s ASP 47 Cb 0.07 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 2yuk s ASP 47 CO 0.80 -1.37 1.53 -0.25 0.21 0.00 0.00 175.17 176.09 2yuk h TRP 48 N 10.47 -1.72 -1.25 4.23 2.91 -1.98 0.73 115.95 129.34 2yuk h TRP 48 Ca -0.27 0.09 0.36 0.00 1.13 0.00 0.00 58.89 60.20 2yuk h TRP 48 Cb 1.10 0.82 -0.05 0.00 -0.51 0.00 0.00 29.16 30.53 2yuk h TRP 48 CO 0.95 -0.44 1.24 1.15 -1.03 0.00 0.00 178.44 180.31 2yuk h THR 49 N -0.27 0.02 0.05 2.65 2.02 -1.97 1.01 112.91 116.43 2yuk h THR 49 Ca 0.10 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.90 2yuk h THR 49 Cb 0.52 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2yuk h THR 49 CO -0.68 0.00 -2.22 0.41 0.37 0.00 0.00 175.52 173.40 2yuk n THR 50 N -3.45 1.62 0.13 3.16 -1.04 0.22 -4.14 114.28 110.78 2yuk n THR 50 Ca 0.28 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 2yuk n THR 50 Cb 1.62 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.33 -0.85 -2.82 2.43 0.39 -3.10 114.38 110.13 2yuk h ARG 51 Ca -0.49 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2yuk h ARG 51 Cb 1.99 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 31.48 2yuk h ARG 51 CO 0.01 -0.03 0.21 -0.24 -1.51 0.00 0.00 179.97 178.41 2yuk h VAL 52 N -0.63 0.36 -0.94 0.20 3.04 -0.80 0.36 116.25 117.84 2yuk h VAL 52 Ca -0.03 -0.07 0.10 0.00 -1.01 0.00 0.00 66.70 65.68 2yuk h VAL 52 Cb 0.45 0.12 -0.08 0.00 -2.01 0.00 0.00 31.29 29.78 2yuk h VAL 52 CO 0.06 0.04 0.58 0.11 -1.01 0.00 0.00 177.57 177.35 2yuk h LYS 53 N 0.22 0.95 0.83 4.17 1.57 -1.70 -2.86 116.57 119.75 2yuk h LYS 53 Ca 0.52 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.20 2yuk h LYS 53 Cb 1.00 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.10 2yuk h LYS 53 CO -0.63 0.63 -0.40 1.96 -0.57 0.00 0.00 179.45 180.44 2yuk h GLN 54 N 0.98 -1.08 -1.71 3.15 1.08 -0.22 -2.77 115.11 114.54 2yuk h GLN 54 Ca 0.45 0.07 0.52 0.00 -1.45 0.00 0.00 58.65 58.24 2yuk h GLN 54 Cb 0.35 0.24 -0.10 0.00 -0.05 0.00 0.00 27.48 27.93 2yuk h GLN 54 CO -0.23 -0.72 1.19 -0.89 -0.95 0.00 0.00 178.83 177.23 2yuk n ILE 55 N -5.37 -0.09 0.26 2.54 5.41 -0.90 0.33 119.36 121.55 2yuk n ILE 55 Ca -0.14 1.54 -0.14 0.00 1.00 0.00 0.00 62.75 65.01 2yuk n ILE 55 Cb 0.44 -2.55 -0.08 0.00 -0.71 0.00 0.00 39.64 36.74 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 1.16 -0.68 -0.15 -1.39 0.00 -1.32 -0.94 119.26 115.95 2yuk h ALA 56 Ca 0.89 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2yuk h ALA 56 Cb 3.33 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 21.37 2yuk h ALA 56 CO -0.17 -0.75 0.09 1.57 0.00 0.00 0.00 179.25 180.00 2yuk h LYS 57 N -0.95 0.20 -0.68 0.00 2.10 -0.08 0.70 116.57 117.86 2yuk h LYS 57 Ca -0.07 -0.02 0.08 0.00 -2.00 0.00 0.00 60.65 58.64 2yuk h LYS 57 Cb 0.61 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.85 2yuk h LYS 57 CO 0.11 0.16 0.45 -0.07 -2.00 0.00 0.00 179.45 178.10 2yuk h LEU 58 N 0.18 0.57 -0.04 7.07 3.38 -1.23 0.12 115.31 125.37 2yuk h LEU 58 Ca 0.05 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2yuk h LEU 58 Cb 0.01 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2yuk h LEU 58 CO -0.01 0.36 -0.34 -0.25 0.09 0.00 0.00 178.44 178.28 2yuk h TRP 59 N 0.64 0.42 -0.99 1.13 2.91 -0.63 -3.22 115.95 116.22 2yuk h TRP 59 Ca 0.30 -0.20 0.01 0.00 1.13 0.00 0.00 58.89 60.13 2yuk h TRP 59 Cb 0.35 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 28.89 2yuk h TRP 59 CO -0.00 0.97 0.65 0.00 -1.03 0.00 0.00 178.44 179.03 2yuk h ARG 60 N -0.24 1.28 -0.80 2.65 3.08 -0.32 -2.32 114.38 117.72 2yuk h ARG 60 Ca -0.03 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.04 2yuk h ARG 60 Cb 1.03 -0.29 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 2yuk h ARG 60 CO 0.07 0.85 0.43 0.87 -1.07 0.00 0.00 179.97 181.12 2yuk h LYS 61 N 1.32 0.70 -6.87 0.04 1.57 -1.04 -3.42 116.57 108.88 2yuk h LYS 61 Ca 0.37 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.57 2yuk h LYS 61 Cb -0.13 -0.16 0.08 0.00 0.08 0.00 0.00 32.23 32.11 2yuk h LYS 61 CO -0.09 0.46 0.76 0.00 -0.57 0.00 0.00 179.45 180.02 2yuk s ALA 62 N -6.03 3.60 0.56 3.86 0.00 -0.88 -4.99 121.76 117.88 2yuk s ALA 62 Ca -0.12 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 2yuk s ALA 62 Cb 0.19 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2yuk s ALA 62 CO 0.78 -0.89 1.00 -1.12 0.00 0.00 0.00 175.76 175.53 2yuk s SER 63 N -0.01 6.44 0.24 0.00 0.01 -1.26 -4.83 113.70 114.29 2yuk s SER 63 Ca 0.55 1.49 -0.07 0.00 1.31 0.00 0.00 55.95 59.23 2yuk s SER 63 Cb -0.44 -2.49 0.42 0.00 0.21 0.00 0.00 66.02 63.72 2yuk s SER 63 CO 0.54 -0.71 1.65 0.28 0.41 0.00 0.00 173.24 175.41 2yuk h SER 64 N 0.37 -0.27 -0.09 2.44 0.02 -1.94 0.87 113.55 114.95 2yuk h SER 64 Ca -0.46 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 2yuk h SER 64 Cb 1.19 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 64.03 2yuk h SER 64 CO 0.62 -0.14 0.11 1.56 -1.14 0.00 0.00 176.83 177.83 2yuk h GLN 65 N 0.13 0.00 0.18 3.45 7.50 -2.00 0.15 115.11 124.52 2yuk h GLN 65 Ca 0.40 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 59.23 2yuk h GLN 65 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.23 2yuk h GLN 65 CO -0.61 0.00 -1.50 1.49 -1.50 0.00 0.00 178.83 176.71 2yuk h GLU 66 N 0.00 0.37 0.00 1.46 4.57 0.37 -3.29 114.58 118.06 2yuk h GLU 66 Ca 0.04 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 2yuk h GLU 66 Cb 0.27 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2yuk h GLU 66 CO -0.00 1.28 0.00 0.00 -1.18 0.00 0.00 179.01 179.11 2yuk h ARG 67 N 0.10 0.00 -0.79 1.92 3.08 0.02 -3.36 114.38 115.35 2yuk h ARG 67 Ca -0.24 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.89 2yuk h ARG 67 Cb 2.07 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 32.02 2yuk h ARG 67 CO 0.21 0.00 -0.43 0.00 -1.07 0.00 0.00 179.97 178.68 2yuk n ALA 68 N -1.86 -0.41 0.02 0.04 0.00 0.41 0.18 120.51 118.88 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 0.44 -0.17 -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 -0.08 0.00 0.00 0.13 -1.82 -2.71 132.00 127.52 2yuk h PRO 69 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2yuk h PRO 69 Cb 0.36 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2yuk h PRO 69 CO -0.75 0.37 0.02 1.88 -0.23 0.00 0.00 178.00 179.29 2yuk h TYR 70 N -0.57 0.00 0.17 1.56 0.05 -1.37 0.14 116.97 116.94 2yuk h TYR 70 Ca -0.01 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 2yuk h TYR 70 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2yuk h TYR 70 CO 0.08 0.00 -1.74 0.28 -1.05 0.00 0.00 178.16 175.73 2yuk h VAL 71 N 0.00 0.94 0.06 -2.88 2.07 0.20 -3.29 116.25 113.35 2yuk h VAL 71 Ca 0.00 -2.54 -0.09 0.00 0.82 0.00 0.00 66.70 64.88 2yuk h VAL 71 Cb 0.04 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2yuk h VAL 71 CO 0.00 0.85 -0.40 -0.61 0.02 0.00 0.00 177.57 177.43 2yuk h GLN 72 N 0.10 0.16 -0.51 1.57 5.75 -0.90 -3.33 115.11 117.95 2yuk h GLN 72 Ca -0.34 -0.26 0.10 0.00 -0.15 0.00 0.00 58.65 58.01 2yuk h GLN 72 Cb 2.08 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 30.62 2yuk h GLN 72 CO 0.17 1.09 -0.20 -0.22 -2.65 0.00 0.00 178.83 177.02 2yuk h LYS 73 N -0.64 -0.08 -1.02 1.69 3.64 -0.97 0.16 116.57 119.36 2yuk h LYS 73 Ca -0.07 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.57 2yuk h LYS 73 Cb 1.28 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 33.01 2yuk h LYS 73 CO 0.07 -0.05 0.63 0.00 -2.27 0.00 0.00 179.45 177.83 2yuk h ALA 74 N 1.31 1.95 -0.18 5.00 0.00 -1.69 0.17 119.26 125.82 2yuk h ALA 74 Ca 0.24 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2yuk h ALA 74 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2yuk h ALA 74 CO -0.56 -0.39 -0.21 0.00 0.00 0.00 0.00 179.25 178.09 2yuk h ARG 75 N 0.53 0.46 -0.62 0.00 3.08 -0.83 -3.15 114.38 113.85 2yuk h ARG 75 Ca 0.62 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.38 2yuk h ARG 75 Cb 1.29 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2yuk h ARG 75 CO -0.39 0.84 0.27 0.22 -1.07 0.00 0.00 179.97 179.84 2yuk h ASP 76 N 0.12 0.81 -0.87 7.04 1.82 0.07 -2.36 116.42 123.04 2yuk h ASP 76 Ca 0.02 -0.10 0.11 0.00 -0.39 0.00 0.00 57.03 56.68 2yuk h ASP 76 Cb 0.77 -0.21 -0.06 0.00 0.68 0.00 0.00 39.33 40.51 2yuk h ASP 76 CO 0.05 0.71 0.56 0.78 -1.61 0.00 0.00 179.24 179.73 2yuk h ASN 77 N 0.88 0.73 -1.00 2.28 2.35 -0.73 -0.90 115.58 119.19 2yuk h ASN 77 Ca 0.21 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 2yuk h ASN 77 Cb 0.14 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 2yuk h ASN 77 CO -0.02 0.42 0.66 0.03 -1.65 0.00 0.00 177.43 176.86 2yuk h ARG 78 N 0.80 1.28 -0.04 0.81 3.08 -1.41 -2.71 114.38 116.19 2yuk h ARG 78 Ca 0.41 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2yuk h ARG 78 Cb 0.49 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2yuk h ARG 78 CO -0.18 0.85 0.01 0.00 -1.07 0.00 0.00 179.97 179.58 2yuk h ALA 79 N 1.39 0.04 -0.93 0.04 0.00 -1.21 -2.71 119.26 115.88 2yuk h ALA 79 Ca 0.38 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.54 2yuk h ALA 79 Cb -0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.53 2yuk h ALA 79 CO -0.10 -0.47 0.07 0.00 0.00 0.00 0.00 179.25 178.75 2yuk h ALA 80 N 1.02 1.15 0.46 0.00 0.00 -1.32 0.38 119.26 120.95 2yuk h ALA 80 Ca 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2yuk h ALA 80 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2yuk h ALA 80 CO -0.01 -0.54 -0.22 -0.07 0.00 0.00 0.00 179.25 178.41 2yuk h LEU 81 N 0.06 -0.52 -0.92 0.00 3.38 -1.50 -0.95 115.31 114.86 2yuk h LEU 81 Ca 0.57 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.66 2yuk h LEU 81 Cb 1.15 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.87 2yuk h LEU 81 CO -0.83 -0.28 -0.30 -0.09 0.09 0.00 0.00 178.44 177.04 2yuk h ARG 82 N -0.76 -0.02 0.50 1.13 2.43 -0.73 -1.21 114.38 115.73 2yuk h ARG 82 Ca -0.06 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2yuk h ARG 82 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2yuk h ARG 82 CO 0.10 -0.01 -0.24 0.82 -1.51 0.00 0.00 179.97 179.13 2yuk h ILE 83 N -0.02 0.40 -0.50 1.20 5.03 -1.32 -3.38 117.51 118.92 2yuk h ILE 83 Ca 0.39 -0.40 -0.17 0.00 -0.12 0.00 0.00 64.86 64.57 2yuk h ILE 83 Cb 0.64 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 34.94 2yuk h ILE 83 CO -0.94 0.05 0.44 0.20 -0.68 0.00 0.00 178.15 177.22 2yuk s ASN 84 N -4.76 4.51 0.05 1.72 0.01 -0.37 -4.87 114.94 111.23 2yuk s ASN 84 Ca -0.15 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.44 2yuk s ASN 84 Cb 0.02 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 2yuk s ASN 84 CO 0.51 -3.38 0.05 -1.59 -1.51 0.00 0.00 177.10 171.18 2yuk s LYS 85 N 7.79 0.64 -0.39 -0.60 -2.85 -1.26 -4.80 119.74 118.29 2yuk s LYS 85 Ca 0.79 -1.01 -0.39 0.00 -1.00 0.00 0.00 55.97 54.37 2yuk s LYS 85 Cb -0.08 0.24 -0.15 0.00 -2.06 0.00 0.00 37.83 35.78 2yuk s LYS 85 CO 0.05 -0.15 2.09 0.28 0.10 0.00 0.00 175.35 177.72 2yuk n VAL 86 N 0.32 0.15 -1.69 1.79 0.31 -1.26 -4.86 118.33 113.09 2yuk n VAL 86 Ca -0.16 -0.14 -0.39 0.00 -0.01 0.00 0.00 64.34 63.64 2yuk n VAL 86 Cb 0.60 -1.21 0.04 0.00 -0.91 0.00 0.00 33.84 32.37 2yuk n VAL 86 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2yuk n GLN 87 N 7.44 1.38 -3.28 5.55 7.27 -1.26 -3.11 117.38 131.37 2yuk n GLN 87 Ca 0.43 0.51 -0.16 0.00 0.07 0.00 0.00 57.00 57.85 2yuk n GLN 87 Cb 0.13 -2.38 0.08 0.00 2.41 0.00 0.00 30.24 30.48 2yuk n GLN 87 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 2yuk n MET 88 N -0.89 -5.98 -3.81 3.69 1.56 -1.26 -5.01 117.12 105.43 2yuk n MET 88 Ca 0.11 0.75 -0.05 0.00 -0.27 0.00 0.00 57.70 58.24 2yuk n MET 88 Cb 0.45 -5.46 -0.01 0.00 2.15 0.00 0.00 33.22 30.34 2yuk n MET 88 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2yuk s SER 89 N -4.08 -0.18 0.00 6.12 0.01 -1.18 -5.29 113.70 109.09 2yuk s SER 89 Ca 0.06 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2yuk s SER 89 Cb -0.03 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2yuk s SER 89 CO 0.64 -1.12 0.00 0.59 0.41 0.00 0.00 173.24 173.76