#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k04 s PRO 2 N 0.00 4.27 0.28 1.97 0.04 -1.26 -5.02 135.00 135.29 2k04 s PRO 2 Ca 0.00 1.90 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2k04 s PRO 2 Cb 0.00 -3.65 -0.00 0.00 0.04 0.00 0.00 34.50 30.89 2k04 s PRO 2 CO 0.00 -0.61 0.02 1.33 0.04 0.00 0.00 177.00 177.78 2k04 n VAL 3 N 4.85 0.00 0.00 -0.36 0.24 -1.26 -5.08 118.33 116.72 2k04 n VAL 3 Ca 0.13 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 2k04 n VAL 3 Cb 0.44 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2k04 n VAL 3 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k04 n SER 4 N -1.30 4.34 -1.89 -1.34 2.88 -1.26 -5.00 113.62 110.05 2k04 n SER 4 Ca -0.10 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.36 2k04 n SER 4 Cb 0.36 0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 64.11 2k04 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k04 n LEU 5 N -2.08 -0.65 -3.62 2.46 -0.00 -1.26 -4.80 117.00 107.04 2k04 n LEU 5 Ca 0.00 0.25 -0.05 0.00 -0.00 0.00 0.00 56.01 56.22 2k04 n LEU 5 Cb 0.47 -1.57 -0.02 0.00 -0.00 0.00 0.00 43.42 42.31 2k04 n LEU 5 CO 0.00 -0.23 0.79 -0.94 -0.00 0.00 0.00 177.39 177.01 2k04 s SER 6 N -1.85 -0.23 -0.84 1.45 1.04 -1.26 -5.10 113.70 106.91 2k04 s SER 6 Ca 0.00 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.04 2k04 s SER 6 Cb 0.00 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.55 2k04 s SER 6 CO 0.00 -0.62 1.19 -0.31 0.98 0.00 0.00 173.24 174.48 2k04 s TYR 7 N -2.99 2.67 0.09 5.02 1.51 -1.26 -4.95 117.35 117.45 2k04 s TYR 7 Ca 0.09 -0.74 0.09 0.00 -1.01 0.00 0.00 57.07 55.50 2k04 s TYR 7 Cb -0.00 -4.46 -0.03 0.00 -0.11 0.00 0.00 41.96 37.35 2k04 s TYR 7 CO -0.04 -1.77 -0.23 1.03 -1.11 0.00 0.00 175.55 173.43 2k04 s ARG 8 N 4.27 1.31 0.17 -0.62 0.52 -1.26 -5.09 118.95 118.25 2k04 s ARG 8 Ca 0.34 -1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2k04 s ARG 8 Cb -0.08 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2k04 s ARG 8 CO 0.01 0.39 0.36 0.00 0.02 0.00 0.00 175.30 176.08 2k04 h PRO 10 N 2.30 -0.02 -6.13 0.00 0.13 -1.99 -3.43 132.00 122.86 2k04 h PRO 10 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 2k04 h PRO 10 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2k04 h PRO 10 CO 0.70 -0.01 -0.40 0.00 -0.23 0.00 0.00 178.00 178.06 2k04 h ARG 12 N 2.13 0.00 -4.62 0.00 9.65 -2.04 -3.48 114.38 116.03 2k04 h ARG 12 Ca -0.48 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.17 2k04 h ARG 12 Cb 1.19 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.62 2k04 h ARG 12 CO 0.69 0.57 -0.67 -0.06 2.80 0.00 0.00 179.97 183.30 2k04 s PHE 13 N -2.01 0.98 0.11 2.20 0.08 -1.26 -5.12 117.98 112.95 2k04 s PHE 13 Ca -0.13 -1.04 0.09 0.00 0.12 0.00 0.00 56.93 55.96 2k04 s PHE 13 Cb -0.00 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 2k04 s PHE 13 CO 0.40 -0.28 -0.22 -0.59 -0.10 0.00 0.00 175.22 174.43 2k04 s PHE 14 N -3.76 1.92 0.48 0.36 -0.12 -1.26 -4.68 117.98 110.91 2k04 s PHE 14 Ca 0.19 -0.41 -0.19 0.00 -0.05 0.00 0.00 56.93 56.47 2k04 s PHE 14 Cb 0.06 -1.05 -0.09 0.00 -0.63 0.00 0.00 43.02 41.31 2k04 s PHE 14 CO -0.00 0.23 0.98 -1.21 -0.05 0.00 0.00 175.22 175.17 2k04 s GLU 15 N -1.91 4.04 -0.06 1.99 8.01 0.25 -4.89 118.70 126.13 2k04 s GLU 15 Ca 0.08 1.08 0.00 0.00 0.01 0.00 0.00 54.97 56.15 2k04 s GLU 15 Cb -0.10 -2.15 -0.03 0.00 -4.31 0.00 0.00 34.13 27.54 2k04 s GLU 15 CO 0.05 -0.19 -0.04 -1.54 0.01 0.00 0.00 175.26 173.54 2k04 s SER 16 N -2.54 4.84 0.00 -0.19 1.04 -1.26 -2.76 113.70 112.82 2k04 s SER 16 Ca 0.61 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2k04 s SER 16 Cb -0.10 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2k04 s SER 16 CO 0.22 0.35 0.00 1.41 0.98 0.00 0.00 173.24 176.20 2k04 n HIS 17 N 2.05 0.00 -1.10 5.02 8.25 -1.26 -4.95 115.22 123.23 2k04 n HIS 17 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2k04 n HIS 17 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2k04 n HIS 17 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k04 n VAL 18 N 0.00 -2.14 -2.83 1.59 0.31 -1.26 -4.83 118.33 109.17 2k04 n VAL 18 Ca 0.00 1.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.96 2k04 n VAL 18 Cb 0.00 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.16 2k04 n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k04 s ALA 19 N -4.90 3.64 -0.05 3.52 0.00 -1.26 -4.89 121.76 117.81 2k04 s ALA 19 Ca 0.00 -0.02 0.30 0.00 0.00 0.00 0.00 51.96 52.24 2k04 s ALA 19 Cb 0.00 -3.35 1.39 0.00 0.00 0.00 0.00 23.12 21.16 2k04 s ALA 19 CO 0.00 -0.91 1.90 -0.09 0.00 0.00 0.00 175.76 176.66 2k04 h ARG 20 N 7.56 0.00 0.00 0.00 1.12 -1.97 -1.45 114.38 119.63 2k04 h ARG 20 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 2k04 h ARG 20 Cb 1.09 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 2k04 h ARG 20 CO 0.90 0.00 -0.18 0.00 -3.11 0.00 0.00 179.97 177.57 2k04 n ALA 21 N -1.93 2.55 0.16 2.80 0.00 -1.26 -3.89 120.51 118.95 2k04 n ALA 21 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2k04 n ALA 21 Cb 0.19 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.43 2k04 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k04 n ASN 22 N -1.98 2.92 -4.88 0.00 5.15 -0.55 -4.95 115.26 110.98 2k04 n ASN 22 Ca 0.05 -1.86 -0.37 0.00 -0.60 0.00 0.00 54.58 51.80 2k04 n ASN 22 Cb 0.40 -0.19 -0.06 0.00 -0.53 0.00 0.00 39.78 39.40 2k04 n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k04 s VAL 23 N -1.17 5.47 -0.14 3.44 0.11 -1.24 0.16 120.40 127.04 2k04 s VAL 23 Ca 0.28 0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.67 2k04 s VAL 23 Cb 0.16 -3.42 -0.23 0.00 -1.53 0.00 0.00 36.38 31.35 2k04 s VAL 23 CO 0.22 0.62 0.30 0.29 -3.33 0.00 0.00 175.10 173.20 2k04 n LYS 24 N 1.97 0.68 -3.59 1.54 5.02 -0.45 -4.82 118.16 118.51 2k04 n LYS 24 Ca -0.20 0.18 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 2k04 n LYS 24 Cb 0.55 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2k04 n LYS 24 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2k04 s HIS 25 N -2.55 -0.17 -0.04 2.13 -3.43 -1.26 -5.04 115.29 104.93 2k04 s HIS 25 Ca -0.14 0.06 0.05 0.00 -0.80 0.00 0.00 55.06 54.23 2k04 s HIS 25 Cb 0.07 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.74 2k04 s HIS 25 CO 0.78 -0.38 -0.19 -0.51 -2.00 0.00 0.00 174.74 172.44 2k04 s LEU 26 N -2.49 2.47 -0.22 5.38 1.43 -1.26 -2.57 118.68 121.42 2k04 s LEU 26 Ca 0.09 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2k04 s LEU 26 Cb -0.00 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2k04 s LEU 26 CO -0.05 0.32 -0.07 -0.75 0.23 0.00 0.00 176.35 176.04 2k04 s LYS 27 N -0.60 3.21 -0.15 1.70 2.20 0.13 -4.91 119.74 121.32 2k04 s LYS 27 Ca 0.09 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 2k04 s LYS 27 Cb -0.11 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2k04 s LYS 27 CO 0.01 -0.24 0.09 0.42 -0.36 0.00 0.00 175.35 175.26 2k04 s ILE 28 N 1.42 5.08 -0.25 5.43 1.01 -1.26 0.25 121.20 132.88 2k04 s ILE 28 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2k04 s ILE 28 Cb -0.15 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.15 2k04 s ILE 28 CO -0.05 0.53 -0.01 -0.76 0.00 0.00 0.00 174.94 174.66 2k04 s LEU 29 N -0.30 2.45 -0.46 2.97 1.43 0.18 -5.00 118.68 119.96 2k04 s LEU 29 Ca 0.10 -1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 51.82 2k04 s LEU 29 Cb -0.12 -1.07 0.08 0.00 0.03 0.00 0.00 46.19 45.12 2k04 s LEU 29 CO 0.01 -0.28 0.35 0.21 0.23 0.00 0.00 176.35 176.86 2k04 s ASN 30 N 1.47 5.91 0.28 2.29 3.84 -1.26 0.13 114.94 127.60 2k04 s ASN 30 Ca -0.02 -1.48 0.07 0.00 0.21 0.00 0.00 52.86 51.64 2k04 s ASN 30 Cb -0.18 -2.09 -0.03 0.00 -0.55 0.00 0.00 41.25 38.39 2k04 s ASN 30 CO -0.09 -0.62 0.24 0.42 -2.79 0.00 0.00 177.10 174.25 2k04 s THR 31 N 1.53 4.14 -0.06 -5.21 -4.23 -1.22 -5.03 115.64 105.56 2k04 s THR 31 Ca 0.04 -1.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 2k04 s THR 31 Cb -0.24 -3.34 -0.30 0.00 1.34 0.00 0.00 72.50 69.96 2k04 s THR 31 CO 0.04 -0.29 0.65 1.55 -0.54 0.00 0.00 174.62 176.03 2k04 h PRO 32 N 1.40 0.35 0.00 3.99 0.13 -1.97 -3.38 132.00 132.51 2k04 h PRO 32 Ca -0.47 -0.59 -0.04 0.00 -0.87 0.00 0.00 66.00 64.02 2k04 h PRO 32 Cb 1.24 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 2k04 h PRO 32 CO 0.60 1.28 -0.21 -0.97 -0.23 0.00 0.00 178.00 178.47 2k04 h ASN 33 N -0.05 0.00 -3.03 1.44 -0.73 -1.97 -3.45 115.58 107.79 2k04 h ASN 33 Ca -0.32 0.00 -0.48 0.00 1.87 0.00 0.00 56.30 57.37 2k04 h ASN 33 Cb 1.97 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 40.41 2k04 h ASN 33 CO 0.14 0.19 -0.72 0.00 -0.37 0.00 0.00 177.43 176.67 2k04 n ALA 35 N -0.47 0.00 -2.06 0.00 0.00 -1.26 -4.09 120.51 112.63 2k04 n ALA 35 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 2k04 n ALA 35 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2k04 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k04 s GLN 37 N -2.76 0.76 -0.05 0.00 1.11 0.12 -4.53 119.66 114.31 2k04 s GLN 37 Ca 0.53 -0.52 0.04 0.00 0.01 0.00 0.00 55.36 55.42 2k04 s GLN 37 Cb -0.12 -0.72 -0.00 0.00 -1.01 0.00 0.00 33.01 31.16 2k04 s GLN 37 CO 0.18 0.18 -0.18 0.42 0.01 0.00 0.00 175.29 175.90 2k04 s ILE 38 N -0.58 1.51 -0.18 1.08 1.01 -1.10 0.50 121.20 123.44 2k04 s ILE 38 Ca 0.01 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 2k04 s ILE 38 Cb -0.06 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2k04 s ILE 38 CO 0.00 0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 174.64 2k04 s VAL 39 N 0.12 3.64 -0.13 2.92 1.01 0.14 0.97 120.40 129.06 2k04 s VAL 39 Ca -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2k04 s VAL 39 Cb -0.13 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2k04 s VAL 39 CO 0.03 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 2k04 s ALA 40 N 0.79 2.73 -0.34 5.51 0.00 0.11 0.17 121.76 130.72 2k04 s ALA 40 Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2k04 s ALA 40 Cb -0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 2k04 s ALA 40 CO 0.02 0.25 0.34 0.50 0.00 0.00 0.00 175.76 176.87 2k04 s ARG 41 N 0.32 3.56 0.36 0.00 3.52 -1.06 -0.37 118.95 125.27 2k04 s ARG 41 Ca -0.09 -0.45 -0.28 0.00 -0.13 0.00 0.00 55.73 54.78 2k04 s ARG 41 Cb -0.15 -3.80 -0.11 0.00 -1.56 0.00 0.00 34.95 29.32 2k04 s ARG 41 CO 0.05 -0.51 1.49 -0.51 -0.81 0.00 0.00 175.30 175.01 2k04 s LEU 42 N 1.97 4.33 0.00 -0.88 1.43 -1.06 -1.34 118.68 123.13 2k04 s LEU 42 Ca 0.11 3.00 0.00 0.00 -1.03 0.00 0.00 54.13 56.21 2k04 s LEU 42 Cb -0.17 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2k04 s LEU 42 CO 0.11 -0.85 0.93 0.29 0.23 0.00 0.00 176.35 177.06 2k04 n LYS 43 N 0.78 0.00 -0.11 1.70 5.02 0.12 -4.32 118.16 121.36 2k04 n LYS 43 Ca 0.02 0.49 0.07 0.00 -2.02 0.00 0.00 58.31 56.88 2k04 n LYS 43 Cb 0.39 -1.43 0.10 0.00 -0.02 0.00 0.00 35.03 34.08 2k04 n LYS 43 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k04 n ASN 44 N -1.91 2.00 -2.37 4.39 6.94 -1.26 -4.76 115.26 118.29 2k04 n ASN 44 Ca 0.00 -2.79 -0.32 0.00 -0.02 0.00 0.00 54.58 51.45 2k04 n ASN 44 Cb 0.00 -0.34 0.05 0.00 -2.36 0.00 0.00 39.78 37.13 2k04 n ASN 44 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k04 n ASN 45 N -1.13 6.73 0.00 0.53 4.05 -1.26 -4.97 115.26 119.21 2k04 n ASN 45 Ca 0.12 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 51.37 2k04 n ASN 45 Cb 0.59 -0.79 0.00 0.00 1.23 0.00 0.00 39.78 40.81 2k04 n ASN 45 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2k04 n ASN 46 N -0.76 0.00 -3.47 1.20 3.02 -1.26 -4.83 115.26 109.15 2k04 n ASN 46 Ca 0.55 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.96 2k04 n ASN 46 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2k04 n ASN 46 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2k04 n ARG 47 N 0.00 1.05 -4.29 3.52 1.85 -1.26 -4.96 116.66 112.58 2k04 n ARG 47 Ca 0.00 -1.77 -0.34 0.00 -1.00 0.00 0.00 57.85 54.74 2k04 n ARG 47 Cb 0.00 0.17 -0.09 0.00 -1.05 0.00 0.00 32.46 31.49 2k04 n ARG 47 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2k04 s GLN 48 N -3.18 2.96 0.21 2.89 -2.07 -1.26 -2.56 119.66 116.64 2k04 s GLN 48 Ca 0.17 -0.47 0.10 0.00 -1.82 0.00 0.00 55.36 53.34 2k04 s GLN 48 Cb -0.01 -2.78 -0.04 0.00 -1.09 0.00 0.00 33.01 29.08 2k04 s GLN 48 CO 0.11 0.68 -0.11 0.14 -1.32 0.00 0.00 175.29 174.78 2k04 s VAL 49 N -1.00 3.03 -0.19 3.63 -7.23 0.50 -4.95 120.40 114.19 2k04 s VAL 49 Ca 0.17 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2k04 s VAL 49 Cb -0.11 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2k04 s VAL 49 CO 0.06 -0.20 0.09 0.00 -0.31 0.00 0.00 175.10 174.75 2k04 s ILE 51 N 0.31 4.36 -0.04 0.00 -1.09 0.27 0.86 121.20 125.88 2k04 s ILE 51 Ca 0.06 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 2k04 s ILE 51 Cb -0.12 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 2k04 s ILE 51 CO -0.01 0.43 1.37 -0.62 -1.23 0.00 0.00 174.94 174.88 2k04 s ASP 52 N -1.43 6.88 0.00 3.58 2.15 -1.11 -2.73 116.67 124.01 2k04 s ASP 52 Ca 0.19 2.01 0.15 0.00 0.43 0.00 0.00 52.55 55.33 2k04 s ASP 52 Cb -0.12 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.86 2k04 s ASP 52 CO 0.09 -0.72 1.51 -0.81 -0.17 0.00 0.00 175.17 175.07 2k04 n PRO 53 N 5.70 0.90 -0.19 4.34 -0.04 -1.26 -2.30 135.00 142.15 2k04 n PRO 53 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2k04 n PRO 53 Cb 0.44 -1.26 0.17 0.00 -0.04 0.00 0.00 33.50 32.81 2k04 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k04 n LYS 54 N -0.76 2.54 -2.25 0.54 5.02 -1.26 -4.70 118.16 117.29 2k04 n LYS 54 Ca 0.11 -2.07 -0.41 0.00 -2.02 0.00 0.00 58.31 53.93 2k04 n LYS 54 Cb 0.05 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2k04 n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k04 s LEU 55 N -1.03 4.47 0.17 -0.35 1.43 -0.97 -4.86 118.68 117.53 2k04 s LEU 55 Ca 0.28 2.53 -0.22 0.00 -1.03 0.00 0.00 54.13 55.69 2k04 s LEU 55 Cb 0.15 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.80 2k04 s LEU 55 CO 0.20 -0.39 1.61 0.50 0.23 0.00 0.00 176.35 178.50 2k04 h LYS 56 N 3.55 -0.21 0.00 1.70 1.63 -1.94 0.23 116.57 121.52 2k04 h LYS 56 Ca -0.48 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.28 2k04 h LYS 56 Cb 1.22 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2k04 h LYS 56 CO 0.66 -0.14 -0.27 0.11 -3.45 0.00 0.00 179.45 176.36 2k04 h TRP 57 N -0.22 0.00 -0.12 1.91 5.08 -1.95 -1.78 115.95 118.87 2k04 h TRP 57 Ca 0.18 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.12 2k04 h TRP 57 Cb 0.51 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2k04 h TRP 57 CO -0.50 0.27 -0.04 0.82 -1.28 0.00 0.00 178.44 177.71 2k04 h ILE 58 N 0.00 1.30 -0.25 0.12 1.08 -1.43 -1.27 117.51 117.06 2k04 h ILE 58 Ca -0.00 -1.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.52 2k04 h ILE 58 Cb 0.59 1.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 2k04 h ILE 58 CO 0.03 0.29 -0.15 1.56 -0.69 0.00 0.00 178.15 179.20 2k04 h GLN 59 N -0.08 -0.12 -0.13 2.37 1.08 -0.06 0.28 115.11 118.44 2k04 h GLN 59 Ca 0.03 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2k04 h GLN 59 Cb 0.47 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2k04 h GLN 59 CO 0.01 -0.08 -0.18 0.93 -0.95 0.00 0.00 178.83 178.56 2k04 h GLU 60 N -0.12 0.22 -0.13 1.46 4.39 -1.35 0.16 114.58 119.20 2k04 h GLU 60 Ca 0.14 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2k04 h GLU 60 Cb 0.33 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k04 h GLU 60 CO -0.33 0.40 -0.23 -0.92 -1.16 0.00 0.00 179.01 176.78 2k04 h TYR 61 N 0.21 0.49 0.05 4.33 3.20 0.02 0.44 116.97 125.70 2k04 h TYR 61 Ca 0.04 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2k04 h TYR 61 Cb 0.45 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2k04 h TYR 61 CO 0.01 0.85 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.28 2k04 h LEU 62 N -0.01 -0.05 -1.29 2.82 3.38 -0.06 -2.16 115.31 117.93 2k04 h LEU 62 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k04 h LEU 62 Cb 0.81 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2k04 h LEU 62 CO 0.05 -0.02 0.39 -0.33 0.09 0.00 0.00 178.44 178.62 2k04 h GLU 63 N -0.08 0.87 -0.24 1.13 5.08 -0.68 0.24 114.58 120.89 2k04 h GLU 63 Ca -0.01 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2k04 h GLU 63 Cb 0.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2k04 h GLU 63 CO 0.01 0.61 -0.44 1.57 -1.00 0.00 0.00 179.01 179.75 2k04 h LYS 64 N 0.89 0.61 0.00 2.33 5.09 -0.67 -2.44 116.57 122.38 2k04 h LYS 64 Ca 0.23 -0.33 -0.19 0.00 0.09 0.00 0.00 60.65 60.45 2k04 h LYS 64 Cb -0.04 0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.29 2k04 h LYS 64 CO -0.04 0.93 -0.87 0.00 -2.09 0.00 0.00 179.45 177.38 2k04 h LEU 66 N 0.10 0.00 0.00 0.00 6.46 -0.86 -3.36 115.31 117.65 2k04 h LEU 66 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2k04 h LEU 66 Cb 1.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2k04 h LEU 66 CO 0.13 0.14 0.00 -3.20 -0.62 0.00 0.00 178.44 174.90 2k04 n ASN 67 N -3.55 0.00 0.00 1.25 4.05 -0.93 -5.07 115.26 111.01 2k04 n ASN 67 Ca -0.01 0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2k04 n ASN 67 Cb 0.29 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.24 2k04 n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50