#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 5.26 -0.10 1.61 0.01 -1.26 -5.08 113.70 114.14 2yuk s SER 2 Ca 0.00 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.76 2yuk s SER 2 Cb 0.00 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 2yuk s SER 2 CO 0.00 -0.16 -0.21 -0.94 0.41 0.00 0.00 173.24 172.34 2yuk s SER 3 N 1.56 3.32 0.83 2.44 1.04 -1.26 -5.13 113.70 116.50 2yuk s SER 3 Ca 0.04 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 55.92 2yuk s SER 3 Cb -0.17 -1.34 0.16 0.00 0.10 0.00 0.00 66.02 64.78 2yuk s SER 3 CO 0.04 0.18 1.14 -0.83 0.98 0.00 0.00 173.24 174.75 2yuk s GLY 4 N 0.22 1.77 -0.44 7.32 0.00 -1.26 -4.98 107.32 109.95 2yuk s GLY 4 Ca -0.14 -1.57 -0.28 0.00 0.00 0.00 0.00 44.72 42.74 2yuk s GLY 4 CO 0.07 -0.90 1.72 -0.45 0.00 0.00 0.00 173.10 173.54 2yuk s SER 5 N -4.82 5.81 0.31 1.64 0.15 -1.26 -4.97 113.70 110.56 2yuk s SER 5 Ca 0.70 0.87 0.05 0.00 0.70 0.00 0.00 55.95 58.26 2yuk s SER 5 Cb -0.04 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 2yuk s SER 5 CO 0.48 -1.85 0.02 -0.44 1.20 0.00 0.00 173.24 172.64 2yuk s SER 6 N 6.16 2.50 0.41 5.45 0.01 -1.26 -5.17 113.70 121.80 2yuk s SER 6 Ca 0.71 -1.31 0.07 0.00 1.31 0.00 0.00 55.95 56.73 2yuk s SER 6 Cb -0.17 -0.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 2yuk s SER 6 CO 0.29 -0.51 0.14 -0.83 0.41 0.00 0.00 173.24 172.74 2yuk s GLY 7 N -3.47 2.38 -0.90 3.44 0.00 -1.26 -5.02 107.32 102.50 2yuk s GLY 7 Ca 0.34 -2.15 -0.26 0.00 0.00 0.00 0.00 44.72 42.65 2yuk s GLY 7 CO 0.14 -1.96 2.25 -1.31 0.00 0.00 0.00 173.10 172.22 2yuk s ASN 8 N -3.86 3.99 0.23 1.64 0.01 -1.26 -4.78 114.94 110.91 2yuk s ASN 8 Ca 0.39 -0.38 -0.10 0.00 -0.71 0.00 0.00 52.86 52.06 2yuk s ASN 8 Cb 0.05 -2.56 0.33 0.00 0.41 0.00 0.00 41.25 39.48 2yuk s ASN 8 CO 0.21 -3.91 1.36 0.00 -1.51 0.00 0.00 177.10 173.26 2yuk n ALA 9 N 18.11 0.09 -2.63 0.60 0.00 -1.26 -3.52 120.51 131.91 2yuk n ALA 9 Ca 0.45 0.93 -0.42 0.00 0.00 0.00 0.00 53.44 54.40 2yuk n ALA 9 Cb 0.45 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 -6.00 3.25 0.61 0.00 2.00 -1.26 -5.01 119.66 113.25 2yuk s GLN 10 Ca -0.13 -0.26 0.03 0.00 -2.00 0.00 0.00 55.36 53.00 2yuk s GLN 10 Cb 0.22 -4.14 0.08 0.00 0.80 0.00 0.00 33.01 29.96 2yuk s GLN 10 CO 0.66 -1.92 0.84 0.50 -0.50 0.00 0.00 175.29 174.88 2yuk s ARG 11 N 5.06 2.19 0.67 1.67 3.52 -1.23 -5.12 118.95 125.71 2yuk s ARG 11 Ca 0.34 -1.10 -0.07 0.00 -0.13 0.00 0.00 55.73 54.76 2yuk s ARG 11 Cb -0.10 -2.48 0.14 0.00 -1.56 0.00 0.00 34.95 30.95 2yuk s ARG 11 CO 0.17 -0.99 0.91 0.43 -0.81 0.00 0.00 175.30 175.01 2yuk n SER 12 N -2.47 0.54 -0.35 -2.12 7.64 -1.26 -4.89 113.62 110.72 2yuk n SER 12 Ca 0.12 -1.62 0.24 0.00 1.01 0.00 0.00 58.87 58.63 2yuk n SER 12 Cb 0.60 -0.65 0.48 0.00 -1.01 0.00 0.00 64.21 63.63 2yuk n SER 12 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2yuk h THR 13 N -1.10 0.34 -1.15 0.44 1.35 -2.02 0.34 112.91 111.11 2yuk h THR 13 Ca -0.30 -0.12 0.39 0.00 -0.55 0.00 0.00 66.41 65.83 2yuk h THR 13 Cb 0.93 -0.04 -0.10 0.00 -1.73 0.00 0.00 68.15 67.21 2yuk h THR 13 CO 0.25 0.06 0.76 0.18 -0.25 0.00 0.00 175.52 176.52 2yuk n LEU 14 N -4.95 0.14 0.30 3.87 4.77 -1.26 0.99 117.00 120.87 2yuk n LEU 14 Ca 0.31 1.06 -0.16 0.00 -0.03 0.00 0.00 56.01 57.19 2yuk n LEU 14 Cb 0.98 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2yuk n LEU 14 CO 0.13 -1.14 0.56 0.50 -1.33 0.00 0.00 177.39 176.12 2yuk h LYS 15 N 0.00 -0.74 -0.98 3.23 3.11 -1.26 -3.19 116.57 116.73 2yuk h LYS 15 Ca 0.70 0.05 0.13 0.00 -2.81 0.00 0.00 60.65 58.73 2yuk h LYS 15 Cb 2.35 0.17 -0.15 0.00 -1.00 0.00 0.00 32.23 33.60 2yuk h LYS 15 CO -0.32 -0.44 -0.44 0.91 -2.81 0.00 0.00 179.45 176.35 2yuk n TRP 16 N -5.36 -0.10 -0.30 1.91 7.02 0.28 0.83 117.44 121.72 2yuk n TRP 16 Ca -0.12 1.22 0.29 0.00 -1.02 0.00 0.00 57.50 57.86 2yuk n TRP 16 Cb 0.34 -0.79 0.52 0.00 -2.42 0.00 0.00 31.31 28.96 2yuk n TRP 16 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2yuk n GLU 17 N -5.39 -0.05 0.10 -0.99 4.07 -1.18 0.12 120.64 117.32 2yuk n GLU 17 Ca 0.08 1.16 -0.13 0.00 -0.06 0.00 0.00 57.16 58.20 2yuk n GLU 17 Cb 0.36 -2.11 -0.08 0.00 -0.06 0.00 0.00 31.44 29.54 2yuk n GLU 17 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2yuk h LYS 18 N 0.00 -0.20 -0.16 5.31 1.79 0.32 -2.92 116.57 120.71 2yuk h LYS 18 Ca 0.73 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 59.18 2yuk h LYS 18 Cb 2.02 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 32.70 2yuk h LYS 18 CO -0.61 0.03 -0.06 0.93 -1.08 0.00 0.00 179.45 178.66 2yuk h GLU 19 N -0.41 0.24 -0.51 3.15 4.39 0.91 -2.12 114.58 120.22 2yuk h GLU 19 Ca -0.02 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.79 2yuk h GLU 19 Cb 0.32 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2yuk h GLU 19 CO 0.04 0.32 0.46 0.93 -1.16 0.00 0.00 179.01 179.60 2yuk h GLU 20 N 0.23 0.00 0.07 2.33 4.39 -0.63 0.26 114.58 121.24 2yuk h GLU 20 Ca 0.05 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.51 2yuk h GLU 20 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2yuk h GLU 20 CO 0.01 0.00 -1.13 0.00 -1.16 0.00 0.00 179.01 176.73 2yuk h ALA 21 N 1.56 0.21 0.00 3.43 0.00 -1.41 -3.19 119.26 119.86 2yuk h ALA 21 Ca 0.24 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2yuk h ALA 21 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2yuk h ALA 21 CO -0.00 1.08 0.00 -0.07 0.00 0.00 0.00 179.25 180.26 2yuk h LEU 22 N 0.05 0.00 0.00 0.00 3.38 -0.58 -3.48 115.31 114.68 2yuk h LEU 22 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2yuk h LEU 22 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2yuk h LEU 22 CO 0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2yuk n GLY 23 N 0.50 2.87 0.25 0.83 0.00 -0.82 -0.21 105.19 108.61 2yuk n GLY 23 Ca 0.03 0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.53 2yuk n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yuk h GLU 24 N 0.00 0.00 -0.00 1.61 5.08 -1.89 0.31 114.58 119.69 2yuk h GLU 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2yuk h GLU 24 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yuk h GLU 24 CO 0.00 0.00 -0.38 -1.33 -1.00 0.00 0.00 179.01 176.30 2yuk n MET 25 N -2.66 0.03 -1.68 2.33 2.81 0.71 -4.93 117.12 113.72 2yuk n MET 25 Ca -0.02 -0.01 -0.64 0.00 -1.81 0.00 0.00 57.70 55.21 2yuk n MET 25 Cb 0.08 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.00 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 -1.48 -1.80 0.65 3.04 0.00 0.11 -4.77 120.51 116.25 2yuk n ALA 26 Ca 0.06 0.51 -0.01 0.00 0.00 0.00 0.00 53.44 54.00 2yuk n ALA 26 Cb 0.34 -1.91 0.05 0.00 0.00 0.00 0.00 19.45 17.93 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 3.40 0.87 -4.36 0.00 -2.24 -1.26 -4.52 114.28 106.17 2yuk n THR 27 Ca 0.28 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 2yuk n THR 27 Cb -0.00 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.99 1.92 -0.04 2.28 1.01 -1.26 -4.52 120.40 118.80 2yuk s VAL 28 Ca 0.10 -2.08 -0.17 0.00 0.00 0.00 0.00 61.98 59.83 2yuk s VAL 28 Cb 0.08 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2yuk s VAL 28 CO 0.02 -0.39 0.71 0.00 0.00 0.00 0.00 175.10 175.44 2yuk h ALA 29 N 2.92 -0.47 0.08 5.51 0.00 -1.88 -2.94 119.26 122.47 2yuk h ALA 29 Ca -0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2yuk h ALA 29 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2yuk h ALA 29 CO 0.55 -0.47 -0.04 -1.00 0.00 0.00 0.00 179.25 178.30 2yuk h PRO 30 N -1.07 -0.10 0.00 0.00 0.13 -1.93 -1.64 132.00 127.39 2yuk h PRO 30 Ca -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2yuk h PRO 30 Cb 0.45 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2yuk h PRO 30 CO 0.08 0.35 0.19 0.28 -0.23 0.00 0.00 178.00 178.66 2yuk h VAL 31 N -0.59 0.00 0.00 1.56 2.07 -1.92 -2.44 116.25 114.94 2yuk h VAL 31 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 2yuk h VAL 31 Cb 0.49 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2yuk h VAL 31 CO 0.02 0.00 -0.87 0.25 0.02 0.00 0.00 177.57 176.98 2yuk h LEU 32 N 0.00 0.00 -0.72 2.57 5.85 -1.39 -3.22 115.31 118.40 2yuk h LEU 32 Ca 0.00 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.58 2yuk h LEU 32 Cb 0.37 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.28 2yuk h LEU 32 CO 0.00 1.12 -0.39 0.22 -0.34 0.00 0.00 178.44 179.04 2yuk h TYR 33 N -1.00 -1.12 -0.58 1.25 5.03 -0.84 0.10 116.97 119.81 2yuk h TYR 33 Ca -0.17 0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 2yuk h TYR 33 Cb 0.90 0.60 -0.03 0.00 1.55 0.00 0.00 36.73 39.74 2yuk h TYR 33 CO -0.06 -0.40 0.34 1.79 -1.32 0.00 0.00 178.16 178.51 2yuk h THR 34 N -0.13 1.18 -1.02 1.81 1.35 -1.68 0.11 112.91 114.53 2yuk h THR 34 Ca 0.24 -0.42 0.27 0.00 -0.55 0.00 0.00 66.41 65.96 2yuk h THR 34 Cb 0.56 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 67.31 2yuk h THR 34 CO -0.78 0.19 0.69 0.78 -0.25 0.00 0.00 175.52 176.15 2yuk h ASN 35 N 0.79 0.29 0.00 5.36 2.35 -0.84 0.90 115.58 124.44 2yuk h ASN 35 Ca 0.21 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2yuk h ASN 35 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2yuk h ASN 35 CO -0.04 0.07 -0.28 -0.38 -1.65 0.00 0.00 177.43 175.16 2yuk n ILE 36 N -4.47 0.68 -0.19 2.81 5.41 -0.71 -4.20 119.36 118.70 2yuk n ILE 36 Ca 0.23 0.36 -0.00 0.00 1.00 0.00 0.00 62.75 64.34 2yuk n ILE 36 Cb 0.93 -1.92 0.09 0.00 -0.71 0.00 0.00 39.64 38.02 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 -0.48 -0.16 -3.91 4.38 2.35 -0.72 -3.25 115.58 113.80 2yuk h ASN 37 Ca 0.00 0.13 -0.74 0.00 -0.55 0.00 0.00 56.30 55.14 2yuk h ASN 37 Cb 0.28 0.21 -0.31 0.00 0.05 0.00 0.00 38.32 38.55 2yuk h ASN 37 CO 0.00 -0.06 -0.11 -0.36 -1.65 0.00 0.00 177.43 175.25 2yuk s PHE 38 N -6.14 3.65 0.04 1.19 0.40 0.31 -4.91 117.98 112.52 2yuk s PHE 38 Ca -0.13 -2.50 -0.20 0.00 -0.60 0.00 0.00 56.93 53.50 2yuk s PHE 38 Cb 0.18 -3.47 -0.15 0.00 0.51 0.00 0.00 43.02 40.09 2yuk s PHE 38 CO 0.73 -0.89 1.34 -1.00 0.70 0.00 0.00 175.22 176.11 2yuk h PRO 39 N 7.13 0.35 -0.25 0.24 0.13 -1.70 -3.02 132.00 134.88 2yuk h PRO 39 Ca 0.07 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.76 0.73 0.00 0.27 -0.23 0.00 0.00 178.00 179.54 2yuk n ASN 40 N -4.56 1.22 -0.32 1.44 0.23 -1.26 -4.39 115.26 107.61 2yuk n ASN 40 Ca -0.06 -2.01 0.09 0.00 -0.53 0.00 0.00 54.58 52.06 2yuk n ASN 40 Cb 0.36 -0.17 0.19 0.00 -2.08 0.00 0.00 39.78 38.08 2yuk n ASN 40 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2yuk n LEU 41 N 0.13 -0.23 -0.16 -4.53 7.94 -1.14 0.25 117.00 119.26 2yuk n LEU 41 Ca 0.07 1.56 -0.07 0.00 -1.11 0.00 0.00 56.01 56.46 2yuk n LEU 41 Cb 0.20 -0.51 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 2yuk n LEU 41 CO 0.05 -1.53 0.62 0.11 -1.11 0.00 0.00 177.39 175.53 2yuk h LYS 42 N 0.00 -0.22 0.54 1.96 1.57 -1.79 0.01 116.57 118.64 2yuk h LYS 42 Ca 0.49 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2yuk h LYS 42 Cb 0.88 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2yuk h LYS 42 CO -0.90 -0.14 -0.49 0.93 -0.57 0.00 0.00 179.45 178.27 2yuk h GLU 43 N -0.22 -0.98 -0.95 3.15 4.39 -0.55 -1.67 114.58 117.74 2yuk h GLU 43 Ca 0.19 0.07 0.28 0.00 0.34 0.00 0.00 59.36 60.24 2yuk h GLU 43 Cb 0.55 0.22 -0.15 0.00 -0.10 0.00 0.00 28.75 29.28 2yuk h GLU 43 CO -0.61 -0.65 0.43 0.93 -1.16 0.00 0.00 179.01 177.94 2yuk h GLU 44 N -1.02 0.27 -2.99 2.33 4.39 -0.95 -3.26 114.58 113.35 2yuk h GLU 44 Ca -0.07 -0.02 -0.59 0.00 0.34 0.00 0.00 59.36 59.03 2yuk h GLU 44 Cb 0.87 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 29.07 2yuk h GLU 44 CO -0.04 0.18 -0.78 -0.06 -1.16 0.00 0.00 179.01 177.15 2yuk s PHE 45 N -5.78 1.36 -0.02 4.33 0.40 -0.06 -5.00 117.98 113.20 2yuk s PHE 45 Ca -0.11 -1.84 -0.25 0.00 -0.60 0.00 0.00 56.93 54.12 2yuk s PHE 45 Cb 0.28 -1.45 -0.20 0.00 0.51 0.00 0.00 43.02 42.17 2yuk s PHE 45 CO 0.78 -0.83 1.23 -1.00 0.70 0.00 0.00 175.22 176.11 2yuk h PRO 46 N 7.35 -0.05 -6.28 0.24 0.13 -1.37 -3.41 132.00 128.60 2yuk h PRO 46 Ca -0.04 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 2yuk h PRO 46 Cb 0.97 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 2yuk h PRO 46 CO 0.41 0.42 1.16 -0.51 -0.23 0.00 0.00 178.00 179.25 2yuk s ASP 47 N -5.62 6.29 0.09 1.44 1.11 -1.26 -4.88 116.67 113.83 2yuk s ASP 47 Ca -0.16 1.58 -0.21 0.00 0.18 0.00 0.00 52.55 53.95 2yuk s ASP 47 Cb 0.02 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.41 2yuk s ASP 47 CO 0.65 -1.34 1.34 -0.25 1.18 0.00 0.00 175.17 176.75 2yuk h TRP 48 N 11.12 -1.10 -1.47 4.23 -0.00 -1.98 0.60 115.95 127.35 2yuk h TRP 48 Ca -0.34 0.06 0.43 0.00 -0.00 0.00 0.00 58.89 59.03 2yuk h TRP 48 Cb 1.16 0.52 -0.06 0.00 -0.00 0.00 0.00 29.16 30.78 2yuk h TRP 48 CO 0.92 -0.30 1.29 1.15 -0.00 0.00 0.00 178.44 181.50 2yuk h THR 49 N -0.21 0.03 0.10 2.65 2.02 -1.97 1.03 112.91 116.56 2yuk h THR 49 Ca 0.06 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.88 2yuk h THR 49 Cb 0.35 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2yuk h THR 49 CO -0.42 0.00 -1.99 0.41 0.37 0.00 0.00 175.52 173.89 2yuk n THR 50 N -3.61 1.74 0.10 3.16 -1.04 0.17 -4.02 114.28 110.79 2yuk n THR 50 Ca 0.33 -0.60 -0.13 0.00 -2.04 0.00 0.00 64.05 61.61 2yuk n THR 50 Cb 1.73 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.28 -0.85 -2.82 2.43 0.49 -3.21 114.38 110.11 2yuk h ARG 51 Ca -0.44 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2yuk h ARG 51 Cb 1.96 0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 31.43 2yuk h ARG 51 CO 0.04 0.08 0.01 -0.24 -1.51 0.00 0.00 179.97 178.35 2yuk h VAL 52 N -0.71 0.22 -0.96 0.20 3.04 -0.40 0.53 116.25 118.17 2yuk h VAL 52 Ca -0.03 -0.03 0.17 0.00 -1.01 0.00 0.00 66.70 65.81 2yuk h VAL 52 Cb 0.49 0.14 -0.10 0.00 -2.01 0.00 0.00 31.29 29.80 2yuk h VAL 52 CO 0.05 0.01 0.56 0.11 -1.01 0.00 0.00 177.57 177.29 2yuk h LYS 53 N 0.08 0.71 0.72 4.17 1.57 -1.69 -2.57 116.57 119.56 2yuk h LYS 53 Ca 0.48 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.18 2yuk h LYS 53 Cb 0.90 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.06 2yuk h LYS 53 CO -0.77 0.47 -0.35 1.96 -0.57 0.00 0.00 179.45 180.20 2yuk h GLN 54 N 0.73 -0.93 -0.96 3.15 1.08 0.02 -2.88 115.11 115.33 2yuk h GLN 54 Ca 0.54 0.06 0.37 0.00 -1.45 0.00 0.00 58.65 58.17 2yuk h GLN 54 Cb 0.81 0.21 -0.13 0.00 -0.05 0.00 0.00 27.48 28.31 2yuk h GLN 54 CO -0.37 -0.62 0.57 -0.89 -0.95 0.00 0.00 178.83 176.56 2yuk n ILE 55 N -4.82 -0.29 0.19 2.54 5.41 -0.99 1.00 119.36 122.40 2yuk n ILE 55 Ca -0.12 1.59 -0.14 0.00 1.00 0.00 0.00 62.75 65.08 2yuk n ILE 55 Cb 0.38 -2.59 -0.08 0.00 -0.71 0.00 0.00 39.64 36.64 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 1.50 -0.45 0.06 -1.39 0.00 -1.31 -0.67 119.26 116.99 2yuk h ALA 56 Ca 0.71 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 2yuk h ALA 56 Cb 2.06 0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.02 2yuk h ALA 56 CO -0.53 -0.67 -0.03 1.57 0.00 0.00 0.00 179.25 179.59 2yuk h LYS 57 N -0.62 -0.07 -0.09 0.00 2.10 0.76 0.13 116.57 118.77 2yuk h LYS 57 Ca -0.05 0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.64 2yuk h LYS 57 Cb 0.45 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2yuk h LYS 57 CO 0.08 0.05 0.11 -0.07 -2.00 0.00 0.00 179.45 177.61 2yuk h LEU 58 N -0.18 0.00 0.15 7.07 3.38 -1.00 -1.44 115.31 123.29 2yuk h LEU 58 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 2yuk h LEU 58 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2yuk h LEU 58 CO 0.01 0.00 -1.38 -0.25 0.09 0.00 0.00 178.44 176.92 2yuk h TRP 59 N 0.00 0.56 -0.12 1.13 2.91 -0.49 -3.33 115.95 116.60 2yuk h TRP 59 Ca 0.04 -0.41 0.01 0.00 1.13 0.00 0.00 58.89 59.66 2yuk h TRP 59 Cb 0.26 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2yuk h TRP 59 CO 0.00 1.54 0.04 0.00 -1.03 0.00 0.00 178.44 178.99 2yuk h ARG 60 N -0.20 0.10 -1.01 2.65 3.08 0.02 -2.04 114.38 116.98 2yuk h ARG 60 Ca -0.28 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.02 2yuk h ARG 60 Cb 1.84 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.79 2yuk h ARG 60 CO 0.12 0.07 0.67 1.57 -1.07 0.00 0.00 179.97 181.32 2yuk h LYS 61 N 0.10 0.31 -6.76 0.04 2.10 -1.45 -3.40 116.57 107.51 2yuk h LYS 61 Ca 0.05 -0.02 -0.52 0.00 -2.00 0.00 0.00 60.65 58.16 2yuk h LYS 61 Cb 0.03 -0.07 0.05 0.00 -0.90 0.00 0.00 32.23 31.34 2yuk h LYS 61 CO -0.05 0.21 0.70 0.00 -2.00 0.00 0.00 179.45 178.30 2yuk s ALA 62 N -5.37 3.56 0.46 0.07 0.00 -0.77 -5.00 121.76 114.71 2yuk s ALA 62 Ca -0.08 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2yuk s ALA 62 Cb 0.24 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2yuk s ALA 62 CO 0.79 -0.65 0.90 -1.12 0.00 0.00 0.00 175.76 175.68 2yuk s SER 63 N 0.13 6.64 0.23 0.00 0.01 -1.26 -4.84 113.70 114.60 2yuk s SER 63 Ca 0.56 1.44 -0.11 0.00 1.31 0.00 0.00 55.95 59.14 2yuk s SER 63 Cb -0.40 -2.45 0.32 0.00 0.21 0.00 0.00 66.02 63.70 2yuk s SER 63 CO 0.44 -0.48 1.61 0.28 0.41 0.00 0.00 173.24 175.49 2yuk h SER 64 N 1.21 -0.68 -0.43 2.44 0.02 -1.94 1.04 113.55 115.20 2yuk h SER 64 Ca -0.47 0.23 0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2yuk h SER 64 Cb 1.18 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 2yuk h SER 64 CO 0.62 -0.25 0.34 1.56 -1.14 0.00 0.00 176.83 177.97 2yuk h GLN 65 N 0.00 0.00 0.20 3.45 1.08 -2.00 0.39 115.11 118.23 2yuk h GLN 65 Ca 0.37 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.26 2yuk h GLN 65 Cb 0.57 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2yuk h GLN 65 CO -0.77 0.00 -1.38 1.49 -0.95 0.00 0.00 178.83 177.22 2yuk h GLU 66 N 0.00 0.42 0.00 1.46 4.81 0.70 -3.26 114.58 118.71 2yuk h GLU 66 Ca 0.21 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2yuk h GLU 66 Cb 0.89 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2yuk h GLU 66 CO -0.00 1.34 0.00 0.00 -0.73 0.00 0.00 179.01 179.62 2yuk h ARG 67 N 0.11 0.00 -0.75 1.92 3.08 0.41 -3.36 114.38 115.79 2yuk h ARG 67 Ca -0.20 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.93 2yuk h ARG 67 Cb 2.08 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 32.03 2yuk h ARG 67 CO 0.24 0.00 -0.40 0.00 -1.07 0.00 0.00 179.97 178.74 2yuk n ALA 68 N -1.93 -0.38 0.02 0.04 0.00 0.12 0.18 120.51 118.56 2yuk n ALA 68 Ca 0.05 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2yuk n ALA 68 Cb 0.46 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.81 -2.71 132.00 127.53 2yuk h PRO 69 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2yuk h PRO 69 Cb 0.34 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2yuk h PRO 69 CO -0.71 0.37 0.01 1.88 -0.23 0.00 0.00 178.00 179.32 2yuk h TYR 70 N -0.57 0.00 0.12 1.56 0.05 -1.31 0.15 116.97 116.97 2yuk h TYR 70 Ca -0.01 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.45 2yuk h TYR 70 Cb 0.49 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2yuk h TYR 70 CO 0.08 0.00 -1.69 0.28 -1.05 0.00 0.00 178.16 175.78 2yuk h VAL 71 N 0.00 0.97 0.10 -2.88 2.07 0.20 -3.29 116.25 113.42 2yuk h VAL 71 Ca 0.00 -2.63 -0.16 0.00 0.82 0.00 0.00 66.70 64.73 2yuk h VAL 71 Cb 0.03 2.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2yuk h VAL 71 CO 0.00 0.81 -0.74 -0.61 0.02 0.00 0.00 177.57 177.05 2yuk h GLN 72 N 0.07 0.22 -0.52 1.57 5.75 -0.86 -3.33 115.11 118.00 2yuk h GLN 72 Ca -0.31 -0.37 0.10 0.00 -0.15 0.00 0.00 58.65 57.93 2yuk h GLN 72 Cb 2.04 0.14 -0.09 0.00 1.07 0.00 0.00 27.48 30.63 2yuk h GLN 72 CO 0.14 1.18 -0.06 -0.22 -2.65 0.00 0.00 178.83 177.22 2yuk h LYS 73 N -0.52 0.06 -0.98 1.69 3.64 -0.96 0.33 116.57 119.83 2yuk h LYS 73 Ca -0.14 -0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.44 2yuk h LYS 73 Cb 1.51 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 33.20 2yuk h LYS 73 CO 0.09 0.04 0.57 0.00 -2.27 0.00 0.00 179.45 177.89 2yuk h ALA 74 N 1.49 1.66 0.15 5.00 0.00 -1.69 0.70 119.26 126.56 2yuk h ALA 74 Ca 0.26 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2yuk h ALA 74 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2yuk h ALA 74 CO -0.49 -0.15 -0.07 0.00 0.00 0.00 0.00 179.25 178.55 2yuk h ARG 75 N 0.66 -0.19 -0.90 0.00 3.08 -1.07 -3.10 114.38 112.86 2yuk h ARG 75 Ca 0.59 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.76 2yuk h ARG 75 Cb 1.00 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 2yuk h ARG 75 CO -0.42 0.15 0.58 0.22 -1.07 0.00 0.00 179.97 179.43 2yuk h ASP 76 N -0.55 0.80 -0.84 7.04 1.82 -0.48 -0.63 116.42 123.58 2yuk h ASP 76 Ca -0.02 0.03 0.15 0.00 -0.39 0.00 0.00 57.03 56.79 2yuk h ASP 76 Cb 0.43 -0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 2yuk h ASP 76 CO 0.03 0.46 0.55 0.78 -1.61 0.00 0.00 179.24 179.45 2yuk h ASN 77 N 0.88 0.54 -0.57 2.28 2.35 -0.82 -0.67 115.58 119.57 2yuk h ASN 77 Ca 0.42 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.17 2yuk h ASN 77 Cb 0.44 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 2yuk h ASN 77 CO -0.19 0.28 0.22 0.03 -1.65 0.00 0.00 177.43 176.11 2yuk h ARG 78 N 0.57 0.87 0.23 0.81 3.08 -1.09 -3.11 114.38 115.74 2yuk h ARG 78 Ca 0.42 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2yuk h ARG 78 Cb 0.78 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2yuk h ARG 78 CO -0.17 0.76 -0.13 0.00 -1.07 0.00 0.00 179.97 179.36 2yuk h ALA 79 N 1.07 -0.32 -0.86 0.04 0.00 -1.13 -2.67 119.26 115.39 2yuk h ALA 79 Ca 0.19 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.32 2yuk h ALA 79 Cb 0.23 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 2yuk h ALA 79 CO -0.01 -0.69 0.19 0.00 0.00 0.00 0.00 179.25 178.74 2yuk n ALA 80 N -2.26 0.61 -0.05 0.00 0.00 -0.98 0.12 120.51 117.94 2yuk n ALA 80 Ca -0.09 0.90 -0.14 0.00 0.00 0.00 0.00 53.44 54.12 2yuk n ALA 80 Cb 0.16 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 0.40 -0.62 0.00 3.38 -1.54 -2.93 115.31 114.00 2yuk h LEU 81 Ca 0.60 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2yuk h LEU 81 Cb 1.40 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.92 2yuk h LEU 81 CO -0.75 0.84 -0.15 -0.09 0.09 0.00 0.00 178.44 178.38 2yuk h ARG 82 N -0.03 0.00 0.10 1.13 2.43 0.12 0.26 114.38 118.39 2yuk h ARG 82 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2yuk h ARG 82 Cb 0.75 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2yuk h ARG 82 CO 0.04 0.00 -0.05 0.82 -1.51 0.00 0.00 179.97 179.28 2yuk h ILE 83 N 0.00 0.90 -0.85 1.20 5.03 -1.34 -2.77 117.51 119.68 2yuk h ILE 83 Ca 0.30 -0.01 0.08 0.00 -0.12 0.00 0.00 64.86 65.10 2yuk h ILE 83 Cb 0.46 0.91 -0.07 0.00 -3.03 0.00 0.00 36.82 35.09 2yuk h ILE 83 CO -0.64 0.00 0.51 0.78 -0.68 0.00 0.00 178.15 178.13 2yuk h ASN 84 N -0.15 0.77 -3.84 1.72 2.35 -1.05 -3.42 115.58 111.97 2yuk h ASN 84 Ca -0.01 0.03 -0.51 0.00 -0.55 0.00 0.00 56.30 55.26 2yuk h ASN 84 Cb 0.11 -0.12 0.04 0.00 0.05 0.00 0.00 38.32 38.40 2yuk h ASN 84 CO 0.02 0.46 0.55 -0.54 -1.65 0.00 0.00 177.43 176.28 2yuk s LYS 85 N -6.04 4.51 -0.01 0.81 -0.14 0.81 -4.98 119.74 114.69 2yuk s LYS 85 Ca -0.12 1.99 -0.30 0.00 -1.36 0.00 0.00 55.97 56.18 2yuk s LYS 85 Cb 0.19 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 2yuk s LYS 85 CO 0.79 0.03 1.21 0.14 -0.76 0.00 0.00 175.35 176.76 2yuk s VAL 86 N -1.15 4.15 0.48 3.17 -7.23 -1.26 -4.89 120.40 113.67 2yuk s VAL 86 Ca 0.46 1.51 0.03 0.00 -1.81 0.00 0.00 61.98 62.17 2yuk s VAL 86 Cb -0.36 -3.97 0.02 0.00 0.56 0.00 0.00 36.38 32.63 2yuk s VAL 86 CO 0.47 0.04 0.68 0.00 -0.31 0.00 0.00 175.10 175.98 2yuk s GLN 87 N 1.82 2.79 0.06 4.82 0.00 -1.26 -5.13 119.66 122.75 2yuk s GLN 87 Ca 0.57 -0.81 -0.03 0.00 -0.00 0.00 0.00 55.36 55.09 2yuk s GLN 87 Cb -0.27 -2.59 -0.03 0.00 0.00 0.00 0.00 33.01 30.13 2yuk s GLN 87 CO 0.25 -0.44 0.04 -1.64 0.00 0.00 0.00 175.29 173.50 2yuk s MET 88 N -4.57 0.65 -0.02 9.60 -1.94 -1.26 -5.17 119.30 116.59 2yuk s MET 88 Ca 0.53 -1.06 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 2yuk s MET 88 Cb -0.10 0.24 -0.00 0.00 2.01 0.00 0.00 34.83 36.97 2yuk s MET 88 CO 0.36 -0.15 -0.12 0.45 -0.01 0.00 0.00 175.02 175.55 2yuk s SER 89 N -2.71 1.53 0.00 3.03 0.15 -1.26 -5.35 113.70 109.08 2yuk s SER 89 Ca 0.04 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2yuk s SER 89 Cb 0.05 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2yuk s SER 89 CO -0.09 0.13 0.42 -3.20 1.20 0.00 0.00 173.24 171.70