#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 6.36 0.41 1.61 0.15 -1.26 -5.07 113.70 115.90 2yuk s SER 2 Ca 0.00 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.15 2yuk s SER 2 Cb 0.00 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2yuk s SER 2 CO 0.00 -0.20 0.50 -0.94 1.20 0.00 0.00 173.24 173.80 2yuk s SER 3 N 1.49 5.49 0.00 5.45 1.04 -1.26 -5.08 113.70 120.84 2yuk s SER 3 Ca 0.18 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2yuk s SER 3 Cb -0.16 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2yuk s SER 3 CO 0.09 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2yuk n GLY 4 N -1.74 1.37 3.71 7.32 0.00 -1.26 -5.13 105.19 109.47 2yuk n GLY 4 Ca 0.06 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 7.34 0.01 1.61 1.04 -1.26 -5.01 113.70 117.43 2yuk s SER 5 Ca 0.00 1.73 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 2yuk s SER 5 Cb 0.00 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.65 2yuk s SER 5 CO 0.00 -0.27 1.07 -0.94 0.98 0.00 0.00 173.24 174.08 2yuk s SER 6 N 0.92 -0.18 0.00 7.02 1.04 -1.26 -5.15 113.70 116.09 2yuk s SER 6 Ca 0.53 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2yuk s SER 6 Cb -0.23 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2yuk s SER 6 CO 0.28 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2yuk n GLY 7 N -0.36 1.28 4.34 7.32 0.00 -1.26 -4.98 105.19 111.53 2yuk n GLY 7 Ca -0.06 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2yuk n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yuk n ASN 8 N 0.00 -1.96 -0.21 1.61 4.13 -1.26 -4.82 115.26 112.75 2yuk n ASN 8 Ca 0.00 -1.14 -0.06 0.00 1.68 0.00 0.00 54.58 55.06 2yuk n ASN 8 Cb 0.00 -2.19 0.03 0.00 -1.54 0.00 0.00 39.78 36.08 2yuk n ASN 8 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuk h ALA 9 N 0.88 0.75 -2.59 5.41 0.00 -2.07 -3.42 119.26 118.22 2yuk h ALA 9 Ca -0.61 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2yuk h ALA 9 Cb 1.39 -0.24 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 2yuk h ALA 9 CO 0.81 0.24 -0.38 -0.65 0.00 0.00 0.00 179.25 179.26 2yuk s GLN 10 N -5.97 0.30 -0.85 0.00 -0.21 -1.26 -5.10 119.66 106.57 2yuk s GLN 10 Ca -0.13 0.95 -0.22 0.00 0.02 0.00 0.00 55.36 55.98 2yuk s GLN 10 Cb 0.13 0.22 0.08 0.00 1.00 0.00 0.00 33.01 34.44 2yuk s GLN 10 CO 0.76 -0.24 1.18 1.03 -2.12 0.00 0.00 175.29 175.90 2yuk s ARG 11 N 2.39 3.39 0.39 2.91 0.52 -1.26 -4.98 118.95 122.32 2yuk s ARG 11 Ca -0.03 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2yuk s ARG 11 Cb -0.11 -4.72 -0.06 0.00 0.52 0.00 0.00 34.95 30.58 2yuk s ARG 11 CO -0.12 -1.95 0.04 0.45 0.02 0.00 0.00 175.30 173.74 2yuk s SER 12 N 3.99 3.20 0.04 0.23 0.15 -1.26 -5.05 113.70 115.00 2yuk s SER 12 Ca 0.33 -1.46 0.22 0.00 0.70 0.00 0.00 55.95 55.74 2yuk s SER 12 Cb -0.08 -0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 64.02 2yuk s SER 12 CO -0.00 -0.64 0.69 0.35 1.20 0.00 0.00 173.24 174.84 2yuk n THR 13 N -0.90 0.19 0.02 6.45 -2.24 -1.26 -4.25 114.28 112.29 2yuk n THR 13 Ca -0.06 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 2yuk n THR 13 Cb 0.67 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2yuk n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2yuk h LEU 14 N 0.00 -0.37 -1.04 3.22 3.38 -1.99 -2.06 115.31 116.45 2yuk h LEU 14 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2yuk h LEU 14 Cb 0.97 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2yuk h LEU 14 CO 0.00 -0.16 0.27 0.50 0.09 0.00 0.00 178.44 179.14 2yuk h LYS 15 N -0.17 0.96 0.18 1.13 1.63 -1.98 -3.16 116.57 115.16 2yuk h LYS 15 Ca 0.07 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2yuk h LYS 15 Cb 0.27 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2yuk h LYS 15 CO -0.18 0.77 -0.37 -1.49 -3.45 0.00 0.00 179.45 174.74 2yuk h TRP 16 N 0.94 -1.05 -0.86 1.91 4.06 -1.57 -1.63 115.95 117.76 2yuk h TRP 16 Ca 0.22 0.02 0.32 0.00 2.06 0.00 0.00 58.89 61.51 2yuk h TRP 16 Cb 0.17 0.43 -0.16 0.00 -1.00 0.00 0.00 29.16 28.60 2yuk h TRP 16 CO 0.01 -0.44 0.31 -1.91 -3.56 0.00 0.00 178.44 172.85 2yuk n GLU 17 N -4.56 -0.06 -0.05 0.49 0.00 -0.93 0.15 120.64 115.68 2yuk n GLU 17 Ca -0.07 1.22 -0.12 0.00 0.00 0.00 0.00 57.16 58.20 2yuk n GLU 17 Cb 0.30 -2.10 -0.06 0.00 0.00 0.00 0.00 31.44 29.58 2yuk n GLU 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2yuk h LYS 18 N 0.00 0.26 0.00 5.31 1.57 -1.39 -2.89 116.57 119.43 2yuk h LYS 18 Ca 0.66 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.30 2yuk h LYS 18 Cb 1.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2yuk h LYS 18 CO -0.71 0.49 -0.25 0.93 -0.57 0.00 0.00 179.45 179.33 2yuk h GLU 19 N 0.01 0.00 -0.03 3.15 4.39 0.21 -2.39 114.58 119.91 2yuk h GLU 19 Ca 0.04 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2yuk h GLU 19 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2yuk h GLU 19 CO 0.01 0.25 0.10 0.93 -1.16 0.00 0.00 179.01 179.14 2yuk h GLU 20 N 0.00 0.00 0.07 2.33 4.39 0.03 -0.47 114.58 120.92 2yuk h GLU 20 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2yuk h GLU 20 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2yuk h GLU 20 CO 0.03 0.00 -1.52 0.00 -1.16 0.00 0.00 179.01 176.36 2yuk h ALA 21 N 1.83 0.43 0.00 3.43 0.00 -1.49 -3.29 119.26 120.17 2yuk h ALA 21 Ca 0.02 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2yuk h ALA 21 Cb 0.22 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2yuk h ALA 21 CO -0.00 1.29 0.00 -0.07 0.00 0.00 0.00 179.25 180.47 2yuk h LEU 22 N 0.04 0.00 0.00 0.00 3.38 -1.16 -3.47 115.31 114.09 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 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2yuk h LEU 22 CO 0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2yuk n GLY 23 N -0.12 4.03 0.16 0.83 0.00 -1.02 -0.95 105.19 108.11 2yuk n GLY 23 Ca 0.00 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 13.36 0.13 0.09 1.61 1.02 -1.26 0.20 120.64 135.78 2yuk n GLU 24 Ca 0.00 0.62 0.12 0.00 -0.02 0.00 0.00 57.16 57.88 2yuk n GLU 24 Cb 0.00 -1.99 0.12 0.00 -0.02 0.00 0.00 31.44 29.55 2yuk n GLU 24 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2yuk h MET 25 N 0.00 0.00 -4.22 3.49 2.86 -1.39 -3.48 114.93 112.19 2yuk h MET 25 Ca 0.00 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.04 2yuk h MET 25 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2yuk h MET 25 CO 0.00 0.00 0.57 0.00 1.06 0.00 0.00 176.91 178.54 2yuk n ALA 26 N -1.98 -0.74 1.81 6.32 0.00 0.13 -4.74 120.51 121.31 2yuk n ALA 26 Ca 0.02 0.31 0.06 0.00 0.00 0.00 0.00 53.44 53.83 2yuk n ALA 26 Cb 0.49 -1.37 0.36 0.00 0.00 0.00 0.00 19.45 18.93 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 3.16 0.00 -4.06 0.00 -2.24 -1.26 -4.60 114.28 105.28 2yuk n THR 27 Ca 0.25 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.81 2yuk n THR 27 Cb -0.04 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 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 4.41 -0.05 2.28 1.01 -1.26 -4.19 120.40 120.60 2yuk s VAL 28 Ca 0.18 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 2yuk s VAL 28 Cb 0.08 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 2yuk s VAL 28 CO 0.14 -0.32 0.49 0.00 0.00 0.00 0.00 175.10 175.41 2yuk h ALA 29 N 1.42 -0.39 0.07 5.51 0.00 -1.87 -3.09 119.26 120.91 2yuk h ALA 29 Ca -0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yuk h ALA 29 Cb 1.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2yuk h ALA 29 CO 0.60 -0.36 -0.03 -1.00 0.00 0.00 0.00 179.25 178.46 2yuk h PRO 30 N -1.09 -0.09 0.00 0.00 0.13 -1.93 -1.56 132.00 127.47 2yuk h PRO 30 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2yuk h PRO 30 Cb 0.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2yuk h PRO 30 CO 0.06 0.37 0.25 0.28 -0.23 0.00 0.00 178.00 178.73 2yuk h VAL 31 N -0.58 0.00 0.02 1.56 2.07 -1.91 -1.72 116.25 115.69 2yuk h VAL 31 Ca -0.01 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.23 2yuk h VAL 31 Cb 0.50 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2yuk h VAL 31 CO 0.02 0.00 -1.53 -0.11 0.02 0.00 0.00 177.57 175.97 2yuk n LEU 32 N -2.90 1.99 -0.03 2.57 7.94 -1.15 -3.51 117.00 121.91 2yuk n LEU 32 Ca -0.02 0.37 -0.11 0.00 -1.11 0.00 0.00 56.01 55.15 2yuk n LEU 32 Cb 0.30 -0.97 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 2yuk n LEU 32 CO 0.15 0.40 0.61 0.22 -1.11 0.00 0.00 177.39 177.66 2yuk h TYR 33 N -0.84 -1.06 -0.73 1.96 5.03 -0.40 -1.50 116.97 119.44 2yuk h TYR 33 Ca -0.40 0.05 0.03 0.00 2.58 0.00 0.00 58.73 60.98 2yuk h TYR 33 Cb 1.45 0.49 -0.04 0.00 1.55 0.00 0.00 36.73 40.18 2yuk h TYR 33 CO 0.07 -0.43 0.46 1.79 -1.32 0.00 0.00 178.16 178.73 2yuk h THR 34 N -0.41 1.12 -1.04 1.81 1.35 -1.64 0.40 112.91 114.50 2yuk h THR 34 Ca 0.10 -0.31 0.26 0.00 -0.55 0.00 0.00 66.41 65.92 2yuk h THR 34 Cb 0.58 0.13 -0.10 0.00 -1.73 0.00 0.00 68.15 67.03 2yuk h THR 34 CO -0.42 0.17 0.66 0.78 -0.25 0.00 0.00 175.52 176.46 2yuk h ASN 35 N 0.91 0.46 0.00 5.36 2.35 -1.33 0.97 115.58 124.30 2yuk h ASN 35 Ca 0.29 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2yuk h ASN 35 Cb -0.01 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2yuk h ASN 35 CO -0.10 0.09 -0.21 0.40 -1.65 0.00 0.00 177.43 175.95 2yuk h ILE 36 N 0.41 0.00 -0.44 2.81 2.04 -0.85 -3.36 117.51 118.12 2yuk h ILE 36 Ca 0.60 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 66.07 2yuk h ILE 36 Cb 1.49 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.48 2yuk h ILE 36 CO -0.31 0.00 -0.14 0.78 0.00 0.00 0.00 178.15 178.48 2yuk h ASN 37 N -0.48 -0.50 -3.81 1.72 2.35 -0.86 -3.24 115.58 110.76 2yuk h ASN 37 Ca 0.00 0.14 -0.74 0.00 -0.55 0.00 0.00 56.30 55.15 2yuk h ASN 37 Cb 0.21 0.31 -0.32 0.00 0.05 0.00 0.00 38.32 38.58 2yuk h ASN 37 CO 0.00 -0.17 -0.06 -0.36 -1.65 0.00 0.00 177.43 175.19 2yuk s PHE 38 N -6.20 3.74 0.19 1.19 0.40 0.33 -4.89 117.98 112.74 2yuk s PHE 38 Ca -0.14 -2.57 -0.05 0.00 -0.60 0.00 0.00 56.93 53.57 2yuk s PHE 38 Cb 0.15 -3.48 0.11 0.00 0.51 0.00 0.00 43.02 40.31 2yuk s PHE 38 CO 0.71 -0.88 1.54 -1.00 0.70 0.00 0.00 175.22 176.30 2yuk h PRO 39 N 6.97 0.71 -0.63 0.24 0.13 -1.68 -2.90 132.00 134.83 2yuk h PRO 39 Ca 0.09 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2yuk h PRO 39 Cb 0.94 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 39 CO 0.79 0.98 0.00 0.09 -0.23 0.00 0.00 178.00 179.64 2yuk n ASN 40 N -4.04 3.52 -0.26 1.44 3.02 -1.26 -4.50 115.26 113.19 2yuk n ASN 40 Ca -0.02 -2.36 0.01 0.00 -0.03 0.00 0.00 54.58 52.18 2yuk n ASN 40 Cb 0.53 -0.50 0.08 0.00 -0.61 0.00 0.00 39.78 39.28 2yuk n ASN 40 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2yuk h LEU 41 N 2.77 -0.75 -0.35 3.41 5.85 -1.85 -0.43 115.31 123.97 2yuk h LEU 41 Ca 0.00 0.23 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2yuk h LEU 41 Cb 1.14 0.48 -0.09 0.00 0.37 0.00 0.00 40.66 42.56 2yuk h LEU 41 CO 0.19 -0.25 -0.40 0.11 -0.34 0.00 0.00 178.44 177.75 2yuk h LYS 42 N -0.01 -0.33 0.31 1.25 1.57 -1.79 -0.11 116.57 117.46 2yuk h LYS 42 Ca 0.35 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2yuk h LYS 42 Cb 0.55 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2yuk h LYS 42 CO -0.76 -0.22 -0.44 0.93 -0.57 0.00 0.00 179.45 178.38 2yuk h GLU 43 N -0.34 -0.78 -0.97 3.15 4.39 -1.46 -1.74 114.58 116.82 2yuk h GLU 43 Ca 0.13 0.05 0.28 0.00 0.34 0.00 0.00 59.36 60.17 2yuk h GLU 43 Cb 0.58 0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 29.27 2yuk h GLU 43 CO -0.53 -0.52 0.51 0.93 -1.16 0.00 0.00 179.01 178.24 2yuk h GLU 44 N -0.81 0.37 -3.00 2.33 4.39 -0.77 -3.28 114.58 113.80 2yuk h GLU 44 Ca -0.02 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 59.07 2yuk h GLU 44 Cb 0.76 -0.08 -0.40 0.00 -0.10 0.00 0.00 28.75 28.93 2yuk h GLU 44 CO -0.14 0.24 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.11 2yuk s PHE 45 N -5.75 1.29 0.04 4.33 0.40 -0.10 -5.00 117.98 113.19 2yuk s PHE 45 Ca -0.11 -1.77 -0.20 0.00 -0.60 0.00 0.00 56.93 54.25 2yuk s PHE 45 Cb 0.28 -1.41 -0.14 0.00 0.51 0.00 0.00 43.02 42.26 2yuk s PHE 45 CO 0.79 -0.83 1.35 -1.00 0.70 0.00 0.00 175.22 176.22 2yuk h PRO 46 N 7.45 0.35 -6.36 0.24 0.13 -1.41 -3.40 132.00 128.99 2yuk h PRO 46 Ca -0.05 -0.18 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 2yuk h PRO 46 Cb 0.98 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 2yuk h PRO 46 CO 0.41 0.73 1.17 -0.51 -0.23 0.00 0.00 178.00 179.58 2yuk s ASP 47 N -6.11 6.15 0.10 1.44 1.11 -1.26 -4.89 116.67 113.21 2yuk s ASP 47 Ca -0.14 1.21 -0.21 0.00 0.18 0.00 0.00 52.55 53.60 2yuk s ASP 47 Cb 0.05 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 2yuk s ASP 47 CO 0.75 -1.51 1.35 -0.25 1.18 0.00 0.00 175.17 176.69 2yuk h TRP 48 N 11.65 -1.18 -1.78 4.23 -0.00 -1.98 0.83 115.95 127.73 2yuk h TRP 48 Ca -0.32 0.07 0.52 0.00 -0.00 0.00 0.00 58.89 59.16 2yuk h TRP 48 Cb 1.14 0.58 -0.07 0.00 -0.00 0.00 0.00 29.16 30.81 2yuk h TRP 48 CO 0.95 -0.27 1.36 1.15 -0.00 0.00 0.00 178.44 181.63 2yuk h THR 49 N -0.11 0.02 0.11 2.65 2.02 -1.97 1.06 112.91 116.70 2yuk h THR 49 Ca 0.08 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.90 2yuk h THR 49 Cb 0.32 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2yuk h THR 49 CO -0.51 0.00 -2.02 0.41 0.37 0.00 0.00 175.52 173.77 2yuk n THR 50 N -3.82 1.76 0.13 3.16 -1.04 0.25 -4.06 114.28 110.65 2yuk n THR 50 Ca 0.40 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.05 61.63 2yuk n THR 50 Cb 1.90 -1.68 -0.08 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.07 -0.35 -0.93 -2.82 2.43 0.51 -3.20 114.38 110.08 2yuk h ARG 51 Ca -0.43 0.02 0.26 0.00 -0.81 0.00 0.00 59.98 59.02 2yuk h ARG 51 Cb 2.03 0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 31.49 2yuk h ARG 51 CO 0.08 -0.01 0.09 -0.24 -1.51 0.00 0.00 179.97 178.38 2yuk h VAL 52 N -0.80 0.13 -0.74 0.20 3.04 -0.33 0.65 116.25 118.40 2yuk h VAL 52 Ca -0.04 -0.02 0.09 0.00 -1.01 0.00 0.00 66.70 65.72 2yuk h VAL 52 Cb 0.51 0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 29.78 2yuk h VAL 52 CO 0.06 0.01 0.39 0.11 -1.01 0.00 0.00 177.57 177.13 2yuk h LYS 53 N 0.06 0.65 -0.27 4.17 1.57 -1.70 -0.30 116.57 120.76 2yuk h LYS 53 Ca 0.57 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2yuk h LYS 53 Cb 1.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2yuk h LYS 53 CO -0.82 0.43 0.16 1.96 -0.57 0.00 0.00 179.45 180.61 2yuk h GLN 54 N 0.67 0.36 -0.49 3.15 1.08 0.30 -1.70 115.11 118.48 2yuk h GLN 54 Ca 0.35 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 2yuk h GLN 54 Cb 0.34 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2yuk h GLN 54 CO -0.25 0.25 -0.01 0.82 -0.95 0.00 0.00 178.83 178.70 2yuk h ILE 55 N 0.37 1.25 0.18 2.54 2.04 -0.59 -0.52 117.51 122.77 2yuk h ILE 55 Ca 0.10 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 2yuk h ILE 55 Cb -0.01 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2yuk h ILE 55 CO -0.02 0.36 -0.09 0.00 0.00 0.00 0.00 178.15 178.41 2yuk h ALA 56 N 1.23 -0.24 -0.23 1.87 0.00 -1.05 -1.67 119.26 119.16 2yuk h ALA 56 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2yuk h ALA 56 Cb 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2yuk h ALA 56 CO 0.02 -0.36 0.02 1.57 0.00 0.00 0.00 179.25 180.51 2yuk h LYS 57 N -0.80 0.10 0.00 0.00 2.10 -1.40 0.26 116.57 116.84 2yuk h LYS 57 Ca -0.02 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2yuk h LYS 57 Cb 0.52 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2yuk h LYS 57 CO 0.04 0.07 -0.08 -0.07 -2.00 0.00 0.00 179.45 177.41 2yuk h LEU 58 N 0.11 0.00 0.08 7.07 3.38 -1.18 -1.40 115.31 123.37 2yuk h LEU 58 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2yuk h LEU 58 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2yuk h LEU 58 CO -0.16 0.08 -0.66 -0.25 0.09 0.00 0.00 178.44 177.54 2yuk h TRP 59 N 0.00 0.32 -0.24 1.13 2.91 -0.15 -3.26 115.95 116.65 2yuk h TRP 59 Ca -0.00 -0.23 -0.02 0.00 1.13 0.00 0.00 58.89 59.77 2yuk h TRP 59 Cb 0.32 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 2yuk h TRP 59 CO 0.00 1.25 0.09 0.00 -1.03 0.00 0.00 178.44 178.75 2yuk h ARG 60 N -0.61 0.37 -0.32 2.65 3.08 -0.34 -2.33 114.38 116.88 2yuk h ARG 60 Ca -0.13 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 59.94 2yuk h ARG 60 Cb 1.43 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2yuk h ARG 60 CO 0.07 0.42 0.33 1.57 -1.07 0.00 0.00 179.97 181.30 2yuk h LYS 61 N 0.24 0.00 -6.59 0.04 5.09 -1.41 -3.41 116.57 110.52 2yuk h LYS 61 Ca 0.08 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 60.29 2yuk h LYS 61 Cb 0.20 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.55 2yuk h LYS 61 CO -0.01 0.00 0.65 0.00 -2.09 0.00 0.00 179.45 178.00 2yuk s ALA 62 N -4.65 3.51 0.58 0.07 0.00 -0.88 -4.98 121.76 115.41 2yuk s ALA 62 Ca -0.04 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 2yuk s ALA 62 Cb 0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2yuk s ALA 62 CO 0.56 -0.52 1.26 0.45 0.00 0.00 0.00 175.76 177.51 2yuk s SER 63 N 0.71 5.16 0.25 0.00 0.15 -1.26 -4.82 113.70 113.88 2yuk s SER 63 Ca 0.59 2.53 -0.04 0.00 0.70 0.00 0.00 55.95 59.74 2yuk s SER 63 Cb -0.35 -2.61 0.48 0.00 -1.71 0.00 0.00 66.02 61.83 2yuk s SER 63 CO 0.33 -1.63 1.71 0.28 1.20 0.00 0.00 173.24 175.14 2yuk h SER 64 N 1.06 0.19 0.15 5.45 0.02 -1.94 0.66 113.55 119.14 2yuk h SER 64 Ca -0.51 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2yuk h SER 64 Cb 1.30 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2yuk h SER 64 CO 0.56 0.05 0.00 1.56 -1.14 0.00 0.00 176.83 177.85 2yuk h GLN 65 N 0.38 0.00 0.18 3.45 7.50 -2.01 -1.40 115.11 123.21 2yuk h GLN 65 Ca 0.42 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.27 2yuk h GLN 65 Cb 0.69 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.23 2yuk h GLN 65 CO -0.45 0.00 -1.39 1.49 -1.50 0.00 0.00 178.83 176.98 2yuk h GLU 66 N 0.00 0.38 0.00 1.46 4.57 -0.02 -3.28 114.58 117.69 2yuk h GLU 66 Ca 0.00 -0.65 -0.04 0.00 -1.18 0.00 0.00 59.36 57.49 2yuk h GLU 66 Cb 0.08 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2yuk h GLU 66 CO 0.00 1.30 -0.18 0.00 -1.18 0.00 0.00 179.01 178.95 2yuk h ARG 67 N 0.10 0.00 -0.64 1.92 3.08 -0.88 -3.36 114.38 114.61 2yuk h ARG 67 Ca -0.20 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.92 2yuk h ARG 67 Cb 2.06 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.03 2yuk h ARG 67 CO 0.23 0.18 -0.35 0.00 -1.07 0.00 0.00 179.97 178.96 2yuk n ALA 68 N -2.15 -0.33 0.01 0.04 0.00 -0.63 0.19 120.51 117.64 2yuk n ALA 68 Ca 0.03 0.56 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2yuk n ALA 68 Cb 0.56 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.07 0.00 0.00 0.13 -1.81 -2.84 132.00 127.41 2yuk h PRO 69 Ca 0.13 0.00 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 31.43 2yuk h PRO 69 CO -0.61 0.39 0.00 1.88 -0.23 0.00 0.00 178.00 179.43 2yuk h TYR 70 N -0.56 0.00 0.14 1.56 0.05 -1.10 0.24 116.97 117.30 2yuk h TYR 70 Ca -0.01 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 2yuk h TYR 70 Cb 0.49 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2yuk h TYR 70 CO 0.09 0.00 -1.66 0.28 -1.05 0.00 0.00 178.16 175.82 2yuk h VAL 71 N 0.00 1.02 0.10 -2.88 2.07 0.23 -3.26 116.25 113.53 2yuk h VAL 71 Ca 0.00 -2.65 -0.24 0.00 0.82 0.00 0.00 66.70 64.63 2yuk h VAL 71 Cb 0.02 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2yuk h VAL 71 CO 0.00 0.82 -1.21 -0.61 0.02 0.00 0.00 177.57 176.60 2yuk h GLN 72 N 0.08 0.21 -0.75 1.57 5.75 -1.00 -3.35 115.11 117.63 2yuk h GLN 72 Ca -0.30 -0.36 0.13 0.00 -0.15 0.00 0.00 58.65 57.97 2yuk h GLN 72 Cb 2.05 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 30.65 2yuk h GLN 72 CO 0.16 1.17 0.33 -0.22 -2.65 0.00 0.00 178.83 177.63 2yuk h LYS 73 N -0.43 0.50 -0.53 1.69 3.64 -0.76 -1.16 116.57 119.52 2yuk h LYS 73 Ca -0.26 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.18 2yuk h LYS 73 Cb 1.65 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.28 2yuk h LYS 73 CO 0.04 0.33 0.10 0.00 -2.27 0.00 0.00 179.45 177.65 2yuk h ALA 74 N 1.51 0.59 -0.13 5.00 0.00 -1.70 0.17 119.26 124.69 2yuk h ALA 74 Ca 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2yuk h ALA 74 Cb 0.54 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2yuk h ALA 74 CO -0.35 -0.32 0.05 0.00 0.00 0.00 0.00 179.25 178.63 2yuk h ARG 75 N 0.23 0.20 -0.99 0.00 3.08 -1.38 -2.89 114.38 112.64 2yuk h ARG 75 Ca 0.27 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.33 2yuk h ARG 75 Cb 0.38 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2yuk h ARG 75 CO -0.36 0.31 0.65 0.22 -1.07 0.00 0.00 179.97 179.72 2yuk h ASP 76 N 0.05 1.06 -0.95 7.04 1.82 -0.67 -1.66 116.42 123.11 2yuk h ASP 76 Ca 0.04 -0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.86 2yuk h ASP 76 Cb 0.19 -0.23 -0.08 0.00 0.68 0.00 0.00 39.33 39.88 2yuk h ASP 76 CO -0.00 0.70 0.60 0.78 -1.61 0.00 0.00 179.24 179.72 2yuk h ASN 77 N 1.21 0.63 -0.50 2.28 2.35 -0.47 -0.45 115.58 120.64 2yuk h ASN 77 Ca 0.41 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2yuk h ASN 77 Cb 0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2yuk h ASN 77 CO -0.14 0.26 0.33 0.03 -1.65 0.00 0.00 177.43 176.26 2yuk h ARG 78 N 0.63 0.66 -0.06 0.81 3.08 -1.25 -2.93 114.38 115.32 2yuk h ARG 78 Ca 0.51 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.55 2yuk h ARG 78 Cb 0.95 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2yuk h ARG 78 CO -0.26 0.44 -0.15 0.00 -1.07 0.00 0.00 179.97 178.92 2yuk h ALA 79 N 1.18 -0.13 -0.74 0.04 0.00 -1.11 -2.63 119.26 115.86 2yuk h ALA 79 Ca 0.18 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.25 2yuk h ALA 79 Cb -0.08 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 17.87 2yuk h ALA 79 CO -0.04 -0.63 -0.23 0.00 0.00 0.00 0.00 179.25 178.35 2yuk n ALA 80 N -2.52 0.06 0.27 0.00 0.00 -1.09 0.31 120.51 117.55 2yuk n ALA 80 Ca -0.04 0.79 -0.16 0.00 0.00 0.00 0.00 53.44 54.02 2yuk n ALA 80 Cb 0.21 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.81 -0.64 0.00 3.38 -1.54 0.50 115.31 116.20 2yuk h LEU 81 Ca 0.31 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.46 2yuk h LEU 81 Cb 0.50 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 2yuk h LEU 81 CO -0.76 -0.49 -0.24 -0.09 0.09 0.00 0.00 178.44 176.95 2yuk h ARG 82 N -0.76 -0.07 0.24 1.13 2.43 -0.07 -2.95 114.38 114.32 2yuk h ARG 82 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2yuk h ARG 82 Cb 0.64 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2yuk h ARG 82 CO 0.03 -0.05 -0.11 0.82 -1.51 0.00 0.00 179.97 179.15 2yuk h ILE 83 N -0.07 0.00 -1.03 1.20 5.03 -0.98 -3.38 117.51 118.28 2yuk h ILE 83 Ca 0.29 -0.19 -0.62 0.00 -0.12 0.00 0.00 64.86 64.22 2yuk h ILE 83 Cb 0.53 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.22 2yuk h ILE 83 CO -0.70 0.00 1.68 0.20 -0.68 0.00 0.00 178.15 178.66 2yuk s ASN 84 N -3.39 6.57 0.63 1.72 0.02 0.17 -4.98 114.94 115.69 2yuk s ASN 84 Ca -0.05 -1.72 -0.06 0.00 -1.02 0.00 0.00 52.86 50.01 2yuk s ASN 84 Cb 0.00 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.73 2yuk s ASN 84 CO 0.14 -1.44 0.95 -1.59 0.02 0.00 0.00 177.10 175.18 2yuk s LYS 85 N 4.81 2.69 -0.09 -0.60 0.00 -1.20 -4.50 119.74 120.84 2yuk s LYS 85 Ca 0.49 -0.05 -0.11 0.00 0.00 0.00 0.00 55.97 56.29 2yuk s LYS 85 Cb 0.01 -2.22 -0.05 0.00 0.00 0.00 0.00 37.83 35.57 2yuk s LYS 85 CO -0.05 -0.89 0.27 0.14 0.00 0.00 0.00 175.35 174.82 2yuk s VAL 86 N -3.10 5.29 0.22 1.79 -7.23 -1.26 -5.04 120.40 111.07 2yuk s VAL 86 Ca 0.56 0.51 -0.31 0.00 -1.81 0.00 0.00 61.98 60.93 2yuk s VAL 86 Cb -0.11 -3.57 -0.15 0.00 0.56 0.00 0.00 36.38 33.11 2yuk s VAL 86 CO 0.45 0.54 1.02 0.00 -0.31 0.00 0.00 175.10 176.81 2yuk n GLN 87 N 2.41 1.07 0.17 4.82 3.00 -1.26 -4.92 117.38 122.68 2yuk n GLN 87 Ca -0.16 0.38 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 2yuk n GLN 87 Cb 0.53 -1.77 -0.05 0.00 0.00 0.00 0.00 30.24 28.95 2yuk n GLN 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 2yuk h MET 88 N 2.54 -0.49 -5.96 -1.09 2.86 -2.07 -3.47 114.93 107.25 2yuk h MET 88 Ca -0.40 0.03 -0.41 0.00 -2.06 0.00 0.00 59.70 56.86 2yuk h MET 88 Cb 1.36 0.11 0.09 0.00 0.06 0.00 0.00 31.60 33.22 2yuk h MET 88 CO 0.65 -0.24 -0.72 0.45 1.06 0.00 0.00 176.91 178.11 2yuk n SER 89 N -5.12 -4.97 -0.81 1.22 2.88 -1.26 -5.35 113.62 100.22 2yuk n SER 89 Ca -0.08 -0.63 0.10 0.00 -1.33 0.00 0.00 58.87 56.93 2yuk n SER 89 Cb 0.25 -4.68 0.08 0.00 -0.75 0.00 0.00 64.21 59.11 2yuk n SER 89 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35