#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 1.91 -0.00 1.97 0.02 -1.26 -4.95 135.00 132.69 2k04 s PRO 2 Ca 0.00 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 2k04 s PRO 2 Cb 0.00 -1.80 -0.20 0.00 0.02 0.00 0.00 34.50 32.52 2k04 s PRO 2 CO 0.00 -2.03 1.17 0.28 -0.33 0.00 0.00 177.00 176.09 2k04 h VAL 3 N -0.46 1.44 -3.33 3.83 2.07 -2.11 -3.39 116.25 114.29 2k04 h VAL 3 Ca -0.48 -1.72 -0.68 0.00 0.82 0.00 0.00 66.70 64.65 2k04 h VAL 3 Cb 1.31 2.38 -0.18 0.00 -1.52 0.00 0.00 31.29 33.28 2k04 h VAL 3 CO 0.48 0.49 0.03 -0.55 0.02 0.00 0.00 177.57 178.04 2k04 s SER 4 N -6.33 6.23 -0.19 0.57 0.15 -1.26 -4.90 113.70 107.98 2k04 s SER 4 Ca -0.15 -0.81 -0.18 0.00 0.70 0.00 0.00 55.95 55.52 2k04 s SER 4 Cb 0.03 -2.29 -0.20 0.00 -1.71 0.00 0.00 66.02 61.85 2k04 s SER 4 CO 0.76 -0.84 0.21 0.18 1.20 0.00 0.00 173.24 174.75 2k04 n LEU 5 N 6.11 2.05 0.00 3.45 4.77 -1.26 -5.07 117.00 127.05 2k04 n LEU 5 Ca -0.06 0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 2k04 n LEU 5 Cb 0.46 -0.99 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2k04 n LEU 5 CO 0.53 0.43 0.34 -1.54 -1.33 0.00 0.00 177.39 175.82 2k04 n SER 6 N -4.19 -1.50 -4.70 -1.43 3.41 -1.26 -5.13 113.62 98.81 2k04 n SER 6 Ca -0.34 -2.08 -0.42 0.00 -0.26 0.00 0.00 58.87 55.77 2k04 n SER 6 Cb 0.78 2.51 -0.03 0.00 -0.26 0.00 0.00 64.21 67.21 2k04 n SER 6 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2k04 s TYR 7 N -4.38 2.58 0.06 7.33 2.02 -1.26 -4.99 117.35 118.71 2k04 s TYR 7 Ca 0.11 0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 57.07 2k04 s TYR 7 Cb -0.03 -4.09 -0.04 0.00 -0.40 0.00 0.00 41.96 37.40 2k04 s TYR 7 CO 0.08 -4.28 -0.04 -0.98 -1.57 0.00 0.00 175.55 168.76 2k04 s ARG 8 N 1.97 0.62 0.62 -0.62 1.70 -1.26 -5.17 118.95 116.81 2k04 s ARG 8 Ca 0.76 -1.16 0.04 0.00 -0.47 0.00 0.00 55.73 54.90 2k04 s ARG 8 Cb -0.46 0.09 0.09 0.00 -0.57 0.00 0.00 34.95 34.10 2k04 s ARG 8 CO 0.33 -0.08 0.85 0.00 -1.08 0.00 0.00 175.30 175.33 2k04 n PRO 10 N -2.47 0.14 -3.40 0.00 -0.04 -1.26 -4.32 135.00 123.65 2k04 n PRO 10 Ca 0.13 0.63 -0.37 0.00 -0.04 0.00 0.00 63.50 63.85 2k04 n PRO 10 Cb 0.61 -1.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2k04 n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k04 h ARG 12 N 6.42 0.42 -4.61 0.00 3.08 -1.96 -3.46 114.38 114.27 2k04 h ARG 12 Ca -0.43 -0.49 -0.21 0.00 0.07 0.00 0.00 59.98 58.92 2k04 h ARG 12 Cb 1.18 0.15 -0.15 0.00 0.08 0.00 0.00 29.97 31.23 2k04 h ARG 12 CO 0.74 1.16 -0.70 -0.06 -1.07 0.00 0.00 179.97 180.04 2k04 s PHE 13 N -3.06 0.85 -0.06 3.04 0.40 -1.26 -4.93 117.98 112.97 2k04 s PHE 13 Ca -0.13 -0.92 0.06 0.00 -0.60 0.00 0.00 56.93 55.33 2k04 s PHE 13 Cb 0.03 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2k04 s PHE 13 CO 0.84 -0.17 -0.23 -0.59 0.70 0.00 0.00 175.22 175.76 2k04 s PHE 14 N -3.61 2.47 -0.24 0.36 -0.71 -1.26 -4.22 117.98 110.77 2k04 s PHE 14 Ca 0.11 -0.64 -0.14 0.00 -1.04 0.00 0.00 56.93 55.22 2k04 s PHE 14 Cb 0.05 -1.61 -0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2k04 s PHE 14 CO -0.05 -0.17 0.32 -1.21 -1.34 0.00 0.00 175.22 172.77 2k04 s GLU 15 N -0.22 4.08 0.00 1.99 8.01 0.32 -4.90 118.70 127.98 2k04 s GLU 15 Ca -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 54.97 54.97 2k04 s GLU 15 Cb -0.13 -3.58 0.00 0.00 -4.31 0.00 0.00 34.13 26.11 2k04 s GLU 15 CO 0.03 -0.10 0.00 0.45 0.01 0.00 0.00 175.26 175.65 2k04 n SER 16 N 4.73 0.00 -4.50 -0.19 2.88 -1.26 -0.37 113.62 114.91 2k04 n SER 16 Ca -0.10 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.01 2k04 n SER 16 Cb 0.51 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2k04 n SER 16 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k04 n HIS 17 N -1.44 4.59 -4.28 0.66 8.25 -1.26 -4.82 115.22 116.92 2k04 n HIS 17 Ca 0.00 -2.88 -0.31 0.00 -0.26 0.00 0.00 57.72 54.27 2k04 n HIS 17 Cb 0.00 -2.60 -0.10 0.00 1.12 0.00 0.00 29.99 28.41 2k04 n HIS 17 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k04 s VAL 18 N 3.95 3.63 -0.10 1.59 1.01 -1.26 -5.09 120.40 124.13 2k04 s VAL 18 Ca 0.53 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2k04 s VAL 18 Cb 0.04 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2k04 s VAL 18 CO 0.06 0.21 1.20 0.00 0.00 0.00 0.00 175.10 176.57 2k04 s ALA 19 N -1.16 3.55 0.23 5.51 0.00 -1.26 -4.89 121.76 123.74 2k04 s ALA 19 Ca 0.21 0.53 0.32 0.00 0.00 0.00 0.00 51.96 53.02 2k04 s ALA 19 Cb -0.11 -3.55 1.41 0.00 0.00 0.00 0.00 23.12 20.88 2k04 s ALA 19 CO 0.13 -0.90 2.01 -0.09 0.00 0.00 0.00 175.76 176.91 2k04 h ARG 20 N 7.68 0.00 0.00 0.00 1.12 -1.98 -1.46 114.38 119.74 2k04 h ARG 20 Ca -0.31 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 2k04 h ARG 20 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2k04 h ARG 20 CO 0.91 0.07 -0.17 0.00 -3.11 0.00 0.00 179.97 177.68 2k04 n ALA 21 N -2.15 2.68 0.23 2.80 0.00 -1.26 -3.83 120.51 118.98 2k04 n ALA 21 Ca -0.00 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.36 2k04 n ALA 21 Cb 0.29 -1.36 0.17 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.60 3.11 -4.67 0.00 5.15 -0.55 -4.95 115.26 111.75 2k04 n ASN 22 Ca 0.06 -1.90 -0.35 0.00 -0.60 0.00 0.00 54.58 51.79 2k04 n ASN 22 Cb 0.35 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.29 4.20 -0.07 3.44 0.11 -1.22 -0.10 120.40 125.47 2k04 s VAL 23 Ca 0.31 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2k04 s VAL 23 Cb 0.18 -2.77 -0.25 0.00 -1.53 0.00 0.00 36.38 32.02 2k04 s VAL 23 CO 0.26 0.59 0.55 0.11 -3.33 0.00 0.00 175.10 173.28 2k04 h LYS 24 N 5.10 0.13 -1.41 1.54 1.57 -1.32 -3.44 116.57 118.73 2k04 h LYS 24 Ca -0.50 -0.22 0.33 0.00 -1.87 0.00 0.00 60.65 58.39 2k04 h LYS 24 Cb 1.19 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 2k04 h LYS 24 CO 0.54 0.84 0.84 -3.38 -0.57 0.00 0.00 179.45 177.72 2k04 s HIS 25 N -2.58 -0.05 0.15 -1.35 -3.43 -1.26 -5.03 115.29 101.75 2k04 s HIS 25 Ca -0.12 -0.05 0.09 0.00 -0.80 0.00 0.00 55.06 54.19 2k04 s HIS 25 Cb 0.07 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 2k04 s HIS 25 CO 0.80 -0.25 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.62 2k04 s LEU 26 N -2.92 2.72 -0.10 5.38 1.02 -1.26 -1.89 118.68 121.64 2k04 s LEU 26 Ca 0.14 -0.62 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 2k04 s LEU 26 Cb 0.05 -1.50 0.02 0.00 0.02 0.00 0.00 46.19 44.78 2k04 s LEU 26 CO -0.04 0.15 -0.07 -0.75 0.02 0.00 0.00 176.35 175.65 2k04 s LYS 27 N -2.43 1.43 -0.15 1.70 2.20 0.13 -4.92 119.74 117.69 2k04 s LYS 27 Ca 0.20 -0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.51 2k04 s LYS 27 Cb -0.10 -1.48 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 2k04 s LYS 27 CO 0.11 -0.23 0.10 0.42 -0.36 0.00 0.00 175.35 175.39 2k04 s ILE 28 N 1.60 5.16 -0.03 5.43 1.01 -1.26 0.43 121.20 133.54 2k04 s ILE 28 Ca 0.02 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 2k04 s ILE 28 Cb -0.13 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.09 2k04 s ILE 28 CO -0.06 0.54 0.05 -0.22 0.00 0.00 0.00 174.94 175.24 2k04 s LEU 29 N -0.35 0.86 -0.13 2.97 1.98 0.16 -4.99 118.68 119.17 2k04 s LEU 29 Ca 0.10 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.44 2k04 s LEU 29 Cb -0.12 -0.03 0.01 0.00 0.66 0.00 0.00 46.19 46.72 2k04 s LEU 29 CO 0.01 -0.15 -0.18 0.21 -1.89 0.00 0.00 176.35 174.35 2k04 s ASN 30 N 1.29 2.77 0.17 3.68 2.47 -1.26 -0.40 114.94 123.66 2k04 s ASN 30 Ca -0.07 -0.52 0.09 0.00 0.42 0.00 0.00 52.86 52.79 2k04 s ASN 30 Cb -0.13 -1.26 -0.04 0.00 -1.45 0.00 0.00 41.25 38.37 2k04 s ASN 30 CO -0.03 0.02 -0.13 0.42 -3.72 0.00 0.00 177.10 173.66 2k04 s THR 31 N 1.04 3.03 -0.53 -5.21 -4.23 -1.26 -5.01 115.64 103.48 2k04 s THR 31 Ca -0.04 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2k04 s THR 31 Cb -0.15 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2k04 s THR 31 CO -0.04 -0.08 0.47 -2.65 -0.54 0.00 0.00 174.62 171.78 2k04 n PRO 32 N 0.18 0.64 0.00 3.99 -0.02 -1.26 -2.55 135.00 135.98 2k04 n PRO 32 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2k04 n PRO 32 Cb 0.55 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 2k04 n PRO 32 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k04 n ASN 33 N 0.42 2.03 -3.90 2.55 4.13 -1.26 -5.06 115.26 114.16 2k04 n ASN 33 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 2k04 n ASN 33 Cb 0.24 0.39 -0.15 0.00 -1.54 0.00 0.00 39.78 38.71 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k04 n ALA 35 N 3.34 0.00 -3.65 0.00 0.00 -1.26 -3.98 120.51 114.96 2k04 n ALA 35 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 2k04 n ALA 35 Cb 0.56 0.27 -0.07 0.00 0.00 0.00 0.00 19.45 20.22 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 0.59 1.21 -0.07 0.00 1.11 0.47 -4.49 119.66 118.47 2k04 s GLN 37 Ca -0.01 -0.84 0.03 0.00 0.01 0.00 0.00 55.36 54.56 2k04 s GLN 37 Cb -0.04 -1.27 0.01 0.00 -1.01 0.00 0.00 33.01 30.70 2k04 s GLN 37 CO -0.12 0.32 -0.17 0.42 0.01 0.00 0.00 175.29 175.75 2k04 s ILE 38 N -0.78 1.49 -0.17 1.08 1.01 -1.20 0.35 121.20 122.99 2k04 s ILE 38 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2k04 s ILE 38 Cb -0.08 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2k04 s ILE 38 CO 0.01 0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 2k04 s VAL 39 N 0.42 3.64 -0.11 2.92 1.01 0.17 0.12 120.40 128.57 2k04 s VAL 39 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2k04 s VAL 39 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2k04 s VAL 39 CO 0.05 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 2k04 s ALA 40 N 0.68 2.79 -0.34 5.51 0.00 0.16 0.19 121.76 130.75 2k04 s ALA 40 Ca -0.03 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2k04 s ALA 40 Cb -0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k04 s ALA 40 CO 0.02 0.38 0.35 0.50 0.00 0.00 0.00 175.76 177.01 2k04 s ARG 41 N -0.12 3.59 0.28 0.00 3.52 -0.79 -0.40 118.95 125.02 2k04 s ARG 41 Ca 0.00 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 2k04 s ARG 41 Cb -0.13 -3.79 -0.11 0.00 -1.56 0.00 0.00 34.95 29.35 2k04 s ARG 41 CO 0.03 -0.50 1.54 -0.51 -0.81 0.00 0.00 175.30 175.05 2k04 s LEU 42 N 1.99 4.36 0.00 -0.88 1.43 -1.23 -0.89 118.68 123.46 2k04 s LEU 42 Ca 0.11 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 2k04 s LEU 42 Cb -0.17 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2k04 s LEU 42 CO 0.11 -0.84 0.65 0.29 0.23 0.00 0.00 176.35 176.80 2k04 n LYS 43 N 2.14 0.00 -3.50 1.70 5.02 0.86 -4.56 118.16 119.83 2k04 n LYS 43 Ca 0.07 0.27 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 2k04 n LYS 43 Cb 0.38 -1.15 -0.12 0.00 -0.02 0.00 0.00 35.03 34.13 2k04 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2k04 s ASN 44 N -2.24 2.83 0.00 4.39 -0.87 -1.26 -4.96 114.94 112.83 2k04 s ASN 44 Ca 0.00 -2.44 0.00 0.00 -1.57 0.00 0.00 52.86 48.85 2k04 s ASN 44 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 2k04 s ASN 44 CO 0.00 -0.27 0.00 -3.20 -2.57 0.00 0.00 177.10 171.06 2k04 n ASN 45 N 3.71 0.00 0.21 -1.22 5.15 -1.26 -5.12 115.26 116.74 2k04 n ASN 45 Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 2k04 n ASN 45 Cb 0.39 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 2k04 n ASN 45 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k04 n ASN 46 N -1.17 -3.55 -2.40 1.20 4.13 -1.26 -5.17 115.26 107.04 2k04 n ASN 46 Ca 0.00 0.81 -0.10 0.00 1.68 0.00 0.00 54.58 56.98 2k04 n ASN 46 Cb 0.00 3.35 -0.03 0.00 -1.54 0.00 0.00 39.78 41.56 2k04 n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k04 n ARG 47 N -3.40 0.83 -3.88 3.52 3.00 -1.26 -5.08 116.66 110.39 2k04 n ARG 47 Ca 0.00 -1.31 -0.36 0.00 -0.01 0.00 0.00 57.85 56.17 2k04 n ARG 47 Cb 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 32.46 33.10 2k04 n ARG 47 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2k04 s GLN 48 N -2.59 3.45 0.18 5.56 0.00 -1.26 -3.47 119.66 121.52 2k04 s GLN 48 Ca 0.08 -0.17 0.09 0.00 -0.00 0.00 0.00 55.36 55.35 2k04 s GLN 48 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 33.01 29.81 2k04 s GLN 48 CO 0.05 0.75 -0.18 0.14 0.00 0.00 0.00 175.29 176.05 2k04 s VAL 49 N -1.11 1.88 -0.18 3.63 -7.23 0.46 -4.94 120.40 112.91 2k04 s VAL 49 Ca 0.18 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2k04 s VAL 49 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2k04 s VAL 49 CO 0.08 -0.33 0.05 0.00 -0.31 0.00 0.00 175.10 174.59 2k04 s ILE 51 N 0.42 4.58 -0.05 0.00 -1.09 0.32 0.12 121.20 125.49 2k04 s ILE 51 Ca 0.02 -0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 2k04 s ILE 51 Cb -0.13 -3.06 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 2k04 s ILE 51 CO 0.01 0.40 1.44 -0.62 -1.23 0.00 0.00 174.94 174.94 2k04 s ASP 52 N -1.56 6.82 0.00 3.58 2.15 0.50 -3.23 116.67 124.93 2k04 s ASP 52 Ca 0.21 2.05 0.19 0.00 0.43 0.00 0.00 52.55 55.43 2k04 s ASP 52 Cb -0.12 -2.55 1.02 0.00 -0.30 0.00 0.00 42.92 40.98 2k04 s ASP 52 CO 0.11 -0.79 1.59 -0.81 -0.17 0.00 0.00 175.17 175.11 2k04 n PRO 53 N 6.17 0.35 -0.51 4.34 -0.04 -1.26 -1.91 135.00 142.14 2k04 n PRO 53 Ca 0.14 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2k04 n PRO 53 Cb 0.44 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.22 3.34 -2.16 0.54 5.02 -1.26 -4.61 118.16 117.80 2k04 n LYS 54 Ca 0.10 -2.77 -0.36 0.00 -2.02 0.00 0.00 58.31 53.27 2k04 n LYS 54 Cb 0.13 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.54 3.76 0.11 -0.35 1.43 -0.80 -4.87 118.68 116.41 2k04 s LEU 55 Ca 0.49 2.28 -0.30 0.00 -1.03 0.00 0.00 54.13 55.57 2k04 s LEU 55 Cb 0.29 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 2k04 s LEU 55 CO 0.27 -1.31 1.50 0.50 0.23 0.00 0.00 176.35 177.53 2k04 h LYS 56 N 1.22 -0.44 0.00 1.70 1.63 -1.93 0.11 116.57 118.85 2k04 h LYS 56 Ca -0.50 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.25 2k04 h LYS 56 Cb 1.27 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 2k04 h LYS 56 CO 0.57 -0.30 -0.36 0.11 -3.45 0.00 0.00 179.45 176.03 2k04 h TRP 57 N -0.46 0.00 -0.31 1.91 5.08 -1.97 -2.53 115.95 117.66 2k04 h TRP 57 Ca 0.04 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.89 2k04 h TRP 57 Cb 0.59 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 2k04 h TRP 57 CO -0.63 0.36 -0.29 0.82 -1.28 0.00 0.00 178.44 177.41 2k04 h ILE 58 N 0.00 1.28 0.17 0.12 1.08 -1.69 0.14 117.51 118.61 2k04 h ILE 58 Ca -0.00 -1.41 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 2k04 h ILE 58 Cb 0.80 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 2k04 h ILE 58 CO 0.05 0.46 -0.11 1.56 -0.69 0.00 0.00 178.15 179.41 2k04 h GLN 59 N 0.56 -0.27 -0.30 2.37 1.08 -0.38 0.11 115.11 118.29 2k04 h GLN 59 Ca 0.07 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 2k04 h GLN 59 Cb 0.79 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 2k04 h GLN 59 CO 0.06 -0.18 0.11 0.93 -0.95 0.00 0.00 178.83 178.80 2k04 h GLU 60 N -0.28 0.24 -0.29 1.46 4.39 -1.49 0.14 114.58 118.75 2k04 h GLU 60 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2k04 h GLU 60 Cb 0.24 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2k04 h GLU 60 CO 0.01 0.16 0.13 -0.92 -1.16 0.00 0.00 179.01 177.22 2k04 h TYR 61 N 0.24 0.44 0.04 4.33 3.20 -0.48 0.19 116.97 124.93 2k04 h TYR 61 Ca 0.14 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2k04 h TYR 61 Cb 0.10 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2k04 h TYR 61 CO -0.13 0.42 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.71 2k04 h LEU 62 N 0.33 -0.05 -0.50 2.82 3.38 -0.59 -1.20 115.31 119.49 2k04 h LEU 62 Ca 0.10 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k04 h LEU 62 Cb 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2k04 h LEU 62 CO -0.01 0.19 0.33 -0.33 0.09 0.00 0.00 178.44 178.71 2k04 h GLU 63 N -0.29 0.66 0.08 1.13 5.08 -0.57 -2.67 114.58 118.00 2k04 h GLU 63 Ca -0.01 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 2k04 h GLU 63 Cb 0.26 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k04 h GLU 63 CO 0.01 0.43 -1.12 0.87 -1.00 0.00 0.00 179.01 178.21 2k04 h LYS 64 N 0.68 0.36 -0.55 2.33 1.79 -0.64 -3.27 116.57 117.26 2k04 h LYS 64 Ca 0.19 -0.49 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 2k04 h LYS 64 Cb -0.07 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2k04 h LYS 64 CO -0.05 1.18 0.13 0.00 -1.08 0.00 0.00 179.45 179.64 2k04 h LEU 66 N 0.82 0.00 0.12 0.00 8.10 -1.53 -1.07 115.31 121.75 2k04 h LEU 66 Ca 0.18 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.86 2k04 h LEU 66 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2k04 h LEU 66 CO -0.00 0.06 -1.57 -1.13 -4.11 0.00 0.00 178.44 171.68 2k04 h ASN 67 N 0.00 0.40 0.00 0.17 -0.00 -1.44 -3.52 115.58 111.19 2k04 h ASN 67 Ca -0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 55.72 2k04 h ASN 67 Cb 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2k04 h ASN 67 CO 0.01 1.48 0.00 0.29 -0.00 0.00 0.00 177.43 179.21