#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k04 n PRO 2 N 0.00 2.60 -4.94 1.97 -0.04 -1.26 -5.00 135.00 128.33 2k04 n PRO 2 Ca 0.00 0.94 -0.28 0.00 -0.04 0.00 0.00 63.50 64.12 2k04 n PRO 2 Cb 0.00 -2.77 -0.16 0.00 -0.04 0.00 0.00 33.50 30.53 2k04 n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k04 s VAL 3 N 1.15 1.62 -0.35 0.52 0.11 -1.26 -5.08 120.40 117.11 2k04 s VAL 3 Ca 0.76 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 2k04 s VAL 3 Cb -0.55 -1.41 0.18 0.00 -1.53 0.00 0.00 36.38 33.07 2k04 s VAL 3 CO 0.34 0.46 0.53 -0.94 -3.33 0.00 0.00 175.10 172.16 2k04 s SER 4 N 0.23 -0.65 -0.17 3.54 1.04 -1.26 -5.14 113.70 111.28 2k04 s SER 4 Ca -0.10 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 2k04 s SER 4 Cb -0.14 1.54 -0.04 0.00 0.10 0.00 0.00 66.02 67.47 2k04 s SER 4 CO 0.05 -0.25 0.07 -1.48 0.98 0.00 0.00 173.24 172.61 2k04 s LEU 5 N 2.13 3.91 0.00 2.42 0.05 -1.26 -5.03 118.68 120.90 2k04 s LEU 5 Ca 0.13 0.14 -0.02 0.00 0.05 0.00 0.00 54.13 54.43 2k04 s LEU 5 Cb -0.09 -1.98 0.01 0.00 -2.05 0.00 0.00 46.19 42.07 2k04 s LEU 5 CO -0.15 0.21 0.11 -0.24 -0.55 0.00 0.00 176.35 175.72 2k04 n SER 6 N 3.31 -0.09 -4.42 1.48 2.88 -1.26 -5.08 113.62 110.43 2k04 n SER 6 Ca -0.17 -1.01 -0.44 0.00 -1.33 0.00 0.00 58.87 55.91 2k04 n SER 6 Cb 0.52 0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 2k04 n SER 6 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2k04 s TYR 7 N -2.69 3.18 0.29 0.66 1.51 -1.26 -4.96 117.35 114.08 2k04 s TYR 7 Ca 0.03 -1.37 0.11 0.00 -1.01 0.00 0.00 57.07 54.82 2k04 s TYR 7 Cb -0.00 -4.16 -0.05 0.00 -0.11 0.00 0.00 41.96 37.64 2k04 s TYR 7 CO -0.00 -1.39 -0.11 1.03 -1.11 0.00 0.00 175.55 173.97 2k04 s ARG 8 N 2.34 1.91 -0.08 -0.62 0.52 -1.26 -4.87 118.95 116.89 2k04 s ARG 8 Ca 0.26 -1.68 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 2k04 s ARG 8 Cb -0.09 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 2k04 s ARG 8 CO -0.05 0.30 -0.03 0.00 0.02 0.00 0.00 175.30 175.54 2k04 n PRO 10 N 2.22 0.00 -3.65 0.00 -0.04 -1.26 -4.82 135.00 127.45 2k04 n PRO 10 Ca -0.18 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.95 2k04 n PRO 10 Cb 0.53 -0.56 -0.10 0.00 -0.04 0.00 0.00 33.50 33.33 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 7.84 -0.04 -5.35 0.00 2.43 -2.04 -3.44 114.38 113.78 2k04 h ARG 12 Ca -0.37 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.21 2k04 h ARG 12 Cb 1.18 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.62 2k04 h ARG 12 CO 0.61 0.65 -0.40 -0.06 -1.51 0.00 0.00 179.97 179.26 2k04 s PHE 13 N -2.61 3.42 -0.12 2.20 0.40 -1.26 -5.06 117.98 114.94 2k04 s PHE 13 Ca -0.15 0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 2k04 s PHE 13 Cb -0.01 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2k04 s PHE 13 CO 0.55 0.22 0.04 -0.59 0.70 0.00 0.00 175.22 176.14 2k04 s PHE 14 N 0.55 3.25 -0.49 0.36 -0.71 -1.26 -4.74 117.98 114.93 2k04 s PHE 14 Ca 0.12 0.18 -0.27 0.00 -1.04 0.00 0.00 56.93 55.92 2k04 s PHE 14 Cb -0.12 -1.90 0.03 0.00 -1.21 0.00 0.00 43.02 39.82 2k04 s PHE 14 CO 0.02 0.40 1.05 -2.00 -1.34 0.00 0.00 175.22 173.35 2k04 s GLU 15 N -0.50 3.59 -0.13 1.99 2.56 0.23 -4.89 118.70 121.56 2k04 s GLU 15 Ca 0.10 0.30 -0.19 0.00 0.00 0.00 0.00 54.97 55.18 2k04 s GLU 15 Cb -0.12 -3.94 -0.04 0.00 2.00 0.00 0.00 34.13 32.03 2k04 s GLU 15 CO 0.02 -1.38 0.50 -1.54 -0.56 0.00 0.00 175.26 172.30 2k04 s SER 16 N 2.50 6.69 -0.39 -1.70 1.04 -1.26 -3.40 113.70 117.18 2k04 s SER 16 Ca 0.42 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 2k04 s SER 16 Cb -0.09 -2.29 -0.00 0.00 0.10 0.00 0.00 66.02 63.74 2k04 s SER 16 CO 0.28 -0.03 0.36 1.41 0.98 0.00 0.00 173.24 176.24 2k04 n HIS 17 N 3.82 -1.48 -3.54 5.02 8.25 -1.26 -5.01 115.22 121.02 2k04 n HIS 17 Ca -0.06 0.56 -0.30 0.00 -0.26 0.00 0.00 57.72 57.66 2k04 n HIS 17 Cb 0.51 -2.86 -0.04 0.00 1.12 0.00 0.00 29.99 28.73 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 -3.02 5.10 -0.03 1.59 1.01 -1.26 -5.05 120.40 118.74 2k04 s VAL 18 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2k04 s VAL 18 Cb -0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2k04 s VAL 18 CO 0.38 -0.14 1.27 0.00 0.00 0.00 0.00 175.10 176.61 2k04 s ALA 19 N -1.86 3.52 0.30 5.51 0.00 -1.26 -4.91 121.76 123.06 2k04 s ALA 19 Ca 0.42 0.72 0.26 0.00 0.00 0.00 0.00 51.96 53.36 2k04 s ALA 19 Cb -0.11 -3.54 1.24 0.00 0.00 0.00 0.00 23.12 20.71 2k04 s ALA 19 CO 0.27 -0.81 1.97 -0.09 0.00 0.00 0.00 175.76 177.10 2k04 h ARG 20 N 7.58 0.00 0.00 0.00 1.12 -1.96 -1.46 114.38 119.65 2k04 h ARG 20 Ca -0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 2k04 h ARG 20 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2k04 h ARG 20 CO 0.89 0.16 -0.20 0.00 -3.11 0.00 0.00 179.97 177.71 2k04 n ALA 21 N -2.25 2.48 1.04 2.80 0.00 -1.26 -3.86 120.51 119.45 2k04 n ALA 21 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2k04 n ALA 21 Cb 0.32 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.24 2.19 -4.89 0.00 5.15 -0.56 -4.94 115.26 109.97 2k04 n ASN 22 Ca 0.05 -1.60 -0.32 0.00 -0.60 0.00 0.00 54.58 52.11 2k04 n ASN 22 Cb 0.44 0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 39.95 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 -2.34 5.19 -0.11 3.44 0.11 -1.18 -1.82 120.40 123.69 2k04 s VAL 23 Ca 0.22 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.29 2k04 s VAL 23 Cb 0.19 -3.62 -0.26 0.00 -1.53 0.00 0.00 36.38 31.15 2k04 s VAL 23 CO 0.49 0.11 0.41 0.11 -3.33 0.00 0.00 175.10 172.89 2k04 h LYS 24 N 3.09 0.26 -1.64 1.54 1.57 -1.33 -3.43 116.57 116.63 2k04 h LYS 24 Ca -0.47 -0.44 0.33 0.00 -1.87 0.00 0.00 60.65 58.20 2k04 h LYS 24 Cb 1.17 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.54 2k04 h LYS 24 CO 0.71 1.18 0.84 -3.38 -0.57 0.00 0.00 179.45 178.23 2k04 s HIS 25 N -2.56 -0.02 0.06 -1.35 -3.43 -1.23 -5.05 115.29 101.70 2k04 s HIS 25 Ca -0.21 -0.09 0.07 0.00 -0.80 0.00 0.00 55.06 54.03 2k04 s HIS 25 Cb 0.07 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2k04 s HIS 25 CO 0.78 -0.30 -0.17 -0.51 -2.00 0.00 0.00 174.74 172.55 2k04 s LEU 26 N -3.19 2.71 -0.17 5.38 1.02 -1.26 -2.78 118.68 120.39 2k04 s LEU 26 Ca 0.18 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.90 2k04 s LEU 26 Cb 0.03 -1.58 0.03 0.00 0.02 0.00 0.00 46.19 44.70 2k04 s LEU 26 CO -0.03 0.23 -0.12 -0.75 0.02 0.00 0.00 176.35 175.70 2k04 s LYS 27 N -1.69 2.13 -0.11 1.70 2.20 0.10 -4.97 119.74 119.10 2k04 s LYS 27 Ca 0.16 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2k04 s LYS 27 Cb -0.11 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 2k04 s LYS 27 CO 0.07 -0.32 0.02 0.42 -0.36 0.00 0.00 175.35 175.19 2k04 s ILE 28 N 1.47 4.48 0.00 5.43 1.01 -1.26 0.04 121.20 132.36 2k04 s ILE 28 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2k04 s ILE 28 Cb -0.14 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2k04 s ILE 28 CO -0.10 0.58 -0.03 -1.48 0.00 0.00 0.00 174.94 173.92 2k04 s LEU 29 N -0.61 2.06 -0.21 2.97 0.05 -0.02 -5.01 118.68 117.91 2k04 s LEU 29 Ca 0.10 -0.14 0.01 0.00 0.05 0.00 0.00 54.13 54.16 2k04 s LEU 29 Cb -0.12 -0.08 0.04 0.00 -2.05 0.00 0.00 46.19 43.99 2k04 s LEU 29 CO 0.02 -0.04 -0.12 0.21 -0.55 0.00 0.00 176.35 175.87 2k04 s ASN 30 N -0.36 3.53 0.18 1.48 3.04 -1.26 -0.94 114.94 120.61 2k04 s ASN 30 Ca -0.02 -0.94 0.04 0.00 0.04 0.00 0.00 52.86 51.98 2k04 s ASN 30 Cb -0.03 -1.33 -0.04 0.00 -1.54 0.00 0.00 41.25 38.32 2k04 s ASN 30 CO -0.00 -0.13 0.23 0.42 -3.04 0.00 0.00 177.10 174.58 2k04 s THR 31 N 1.33 4.90 -1.15 -5.21 -4.23 -1.23 -5.00 115.64 105.05 2k04 s THR 31 Ca -0.02 -0.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2k04 s THR 31 Cb -0.16 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.43 2k04 s THR 31 CO -0.08 -0.16 1.07 -0.81 -0.54 0.00 0.00 174.62 174.10 2k04 n PRO 32 N -0.66 2.26 0.00 3.99 -0.04 -1.26 -3.85 135.00 135.43 2k04 n PRO 32 Ca -0.08 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2k04 n PRO 32 Cb 0.55 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2k04 n PRO 32 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k04 n ASN 33 N 0.29 2.98 -4.31 3.54 5.15 -1.26 -4.92 115.26 116.73 2k04 n ASN 33 Ca 0.11 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.87 2k04 n ASN 33 Cb 0.50 0.23 -0.11 0.00 -0.53 0.00 0.00 39.78 39.86 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k04 n ALA 35 N 0.47 -4.85 -1.67 0.00 0.00 -1.26 -3.55 120.51 109.65 2k04 n ALA 35 Ca -0.15 -1.83 -0.52 0.00 0.00 0.00 0.00 53.44 50.95 2k04 n ALA 35 Cb 0.56 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 2.66 2.48 -0.12 0.00 2.00 -0.11 -4.62 119.66 121.95 2k04 s GLN 37 Ca 0.91 -0.67 -0.01 0.00 -2.00 0.00 0.00 55.36 53.59 2k04 s GLN 37 Cb -0.87 -2.00 -0.02 0.00 0.80 0.00 0.00 33.01 30.91 2k04 s GLN 37 CO 0.53 0.03 -0.10 0.42 -0.50 0.00 0.00 175.29 175.68 2k04 s ILE 38 N 0.72 3.39 -0.14 -2.34 1.01 -1.24 -0.84 121.20 121.76 2k04 s ILE 38 Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2k04 s ILE 38 Cb -0.16 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2k04 s ILE 38 CO 0.02 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.62 2k04 s VAL 39 N 0.04 2.39 -0.13 2.92 1.01 0.11 0.90 120.40 127.63 2k04 s VAL 39 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2k04 s VAL 39 Cb -0.14 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2k04 s VAL 39 CO 0.04 0.54 -0.16 0.00 0.00 0.00 0.00 175.10 175.51 2k04 s ALA 40 N 0.67 2.47 -0.22 5.51 0.00 0.84 0.01 121.76 131.03 2k04 s ALA 40 Ca -0.09 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 2k04 s ALA 40 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2k04 s ALA 40 CO 0.02 0.17 0.31 1.03 0.00 0.00 0.00 175.76 177.29 2k04 s ARG 41 N 0.49 4.12 0.88 0.00 0.52 -1.12 -1.13 118.95 122.71 2k04 s ARG 41 Ca -0.11 0.01 -0.13 0.00 -0.52 0.00 0.00 55.73 54.97 2k04 s ARG 41 Cb -0.16 -3.55 0.13 0.00 0.52 0.00 0.00 34.95 31.88 2k04 s ARG 41 CO 0.05 -0.03 1.20 -0.51 0.02 0.00 0.00 175.30 176.03 2k04 s LEU 42 N 1.30 2.40 0.00 2.53 1.43 -0.51 -1.10 118.68 124.74 2k04 s LEU 42 Ca 0.14 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.75 2k04 s LEU 42 Cb -0.14 -3.01 0.28 0.00 0.03 0.00 0.00 46.19 43.35 2k04 s LEU 42 CO 0.07 -2.30 0.68 0.29 0.23 0.00 0.00 176.35 175.32 2k04 n LYS 43 N -3.56 -3.92 -1.64 1.70 5.02 -0.75 -4.45 118.16 110.57 2k04 n LYS 43 Ca 0.10 -1.14 -0.54 0.00 -2.02 0.00 0.00 58.31 54.71 2k04 n LYS 43 Cb 0.60 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.15 2k04 n LYS 43 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k04 n ASN 44 N -5.01 2.51 0.00 4.39 3.02 -1.26 -0.50 115.26 118.40 2k04 n ASN 44 Ca 0.11 0.90 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 2k04 n ASN 44 Cb 0.45 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2k04 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k04 n ASN 45 N 6.71 -1.47 -4.96 6.41 3.02 -1.26 -5.02 115.26 118.68 2k04 n ASN 45 Ca 0.30 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.65 2k04 n ASN 45 Cb 0.18 -0.73 0.04 0.00 -0.61 0.00 0.00 39.78 38.66 2k04 n ASN 45 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2k04 s ASN 46 N -2.48 5.30 0.31 6.41 3.84 0.34 -5.11 114.94 123.55 2k04 s ASN 46 Ca 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 52.75 2k04 s ASN 46 Cb 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 2k04 s ASN 46 CO 0.00 -1.10 0.00 0.54 -2.79 0.00 0.00 177.10 173.75 2k04 n ARG 47 N -2.19 1.05 -4.85 0.43 3.00 -1.26 -4.71 116.66 108.13 2k04 n ARG 47 Ca 0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.66 2k04 n ARG 47 Cb 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.91 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 -0.68 1.62 0.07 5.56 1.03 -1.26 -1.43 119.66 124.58 2k04 s GLN 48 Ca 0.00 -0.94 0.01 0.00 0.04 0.00 0.00 55.36 54.47 2k04 s GLN 48 Cb 0.00 -1.70 -0.04 0.00 0.03 0.00 0.00 33.01 31.30 2k04 s GLN 48 CO 0.00 0.45 -0.06 0.14 -2.54 0.00 0.00 175.29 173.28 2k04 s VAL 49 N -0.71 0.54 -0.14 3.63 -7.23 -0.28 -4.95 120.40 111.25 2k04 s VAL 49 Ca 0.09 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 58.49 2k04 s VAL 49 Cb -0.09 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2k04 s VAL 49 CO 0.01 -0.78 0.12 0.00 -0.31 0.00 0.00 175.10 174.14 2k04 s ILE 51 N -0.57 4.35 -0.17 0.00 -1.09 0.26 0.78 121.20 124.75 2k04 s ILE 51 Ca 0.12 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.52 2k04 s ILE 51 Cb -0.12 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2k04 s ILE 51 CO 0.02 0.21 1.00 1.51 -1.23 0.00 0.00 174.94 176.45 2k04 s ASP 52 N -2.10 7.14 0.00 3.58 -4.77 -1.22 -3.62 116.67 115.68 2k04 s ASP 52 Ca 0.25 1.41 0.00 0.00 -3.30 0.00 0.00 52.55 50.92 2k04 s ASP 52 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2k04 s ASP 52 CO 0.17 -0.55 0.71 -0.81 0.70 0.00 0.00 175.17 175.39 2k04 n PRO 53 N 5.69 0.98 -0.20 2.11 -0.04 -1.26 -2.91 135.00 139.36 2k04 n PRO 53 Ca 0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 2k04 n PRO 53 Cb 0.47 -1.27 0.16 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.22 2.32 0.00 0.54 5.02 -1.26 -4.74 118.16 119.83 2k04 n LYS 54 Ca 0.00 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 2k04 n LYS 54 Cb 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2k04 n LYS 54 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k04 n LEU 55 N -0.71 0.00 -0.03 -0.35 4.77 -1.14 -5.03 117.00 114.50 2k04 n LEU 55 Ca 0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2k04 n LEU 55 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2k04 n LEU 55 CO 0.07 -0.29 -0.73 1.17 -1.33 0.00 0.00 177.39 176.28 2k04 n LYS 56 N 0.00 0.16 0.16 3.23 0.00 -1.26 -4.48 118.16 115.97 2k04 n LYS 56 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 58.31 58.37 2k04 n LYS 56 Cb 0.00 -0.97 0.30 0.00 0.00 0.00 0.00 35.03 34.36 2k04 n LYS 56 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 2k04 h TRP 57 N -0.11 0.04 -0.21 5.64 5.08 -1.98 -1.44 115.95 122.98 2k04 h TRP 57 Ca -0.16 -0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.77 2k04 h TRP 57 Cb 1.20 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 2k04 h TRP 57 CO -0.01 0.45 0.01 0.82 -1.28 0.00 0.00 178.44 178.44 2k04 h ILE 58 N 0.03 1.25 -0.07 0.12 1.08 -1.91 -0.32 117.51 117.69 2k04 h ILE 58 Ca -0.00 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 63.66 2k04 h ILE 58 Cb 0.76 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 2k04 h ILE 58 CO 0.06 0.26 -0.15 1.56 -0.69 0.00 0.00 178.15 179.19 2k04 h GLN 59 N 0.14 -0.20 -0.43 2.37 7.50 -1.70 0.20 115.11 122.98 2k04 h GLN 59 Ca 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 2k04 h GLN 59 Cb 0.38 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 2k04 h GLN 59 CO 0.01 -0.13 0.24 0.93 -1.50 0.00 0.00 178.83 178.37 2k04 h GLU 60 N -0.21 0.61 -0.14 1.46 4.39 -1.26 0.21 114.58 119.63 2k04 h GLU 60 Ca 0.07 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2k04 h GLU 60 Cb 0.31 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2k04 h GLU 60 CO -0.19 0.48 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.12 2k04 h TYR 61 N 0.57 -0.24 0.16 4.33 3.20 -0.40 -0.09 116.97 124.50 2k04 h TYR 61 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2k04 h TYR 61 Cb 0.05 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2k04 h TYR 61 CO -0.02 -0.15 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.20 2k04 h LEU 62 N -0.10 -0.19 -0.75 2.82 3.38 -0.39 -2.25 115.31 117.83 2k04 h LEU 62 Ca 0.09 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k04 h LEU 62 Cb 0.23 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2k04 h LEU 62 CO -0.21 -0.06 0.48 -0.33 0.09 0.00 0.00 178.44 178.41 2k04 h GLU 63 N -0.30 0.90 -0.00 1.13 4.39 -0.68 -3.00 114.58 117.01 2k04 h GLU 63 Ca -0.02 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 2k04 h GLU 63 Cb 0.24 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2k04 h GLU 63 CO 0.04 0.60 -0.68 0.87 -1.16 0.00 0.00 179.01 178.67 2k04 h LYS 64 N 0.93 0.47 -1.43 2.33 1.79 -1.02 -3.33 116.57 116.31 2k04 h LYS 64 Ca 0.30 -0.50 0.47 0.00 -2.18 0.00 0.00 60.65 58.74 2k04 h LYS 64 Cb 0.02 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 30.68 2k04 h LYS 64 CO -0.11 1.15 0.94 0.00 -1.08 0.00 0.00 179.45 180.34 2k04 h LEU 66 N 0.03 -0.63 0.01 0.00 4.07 -1.67 -3.12 115.31 114.01 2k04 h LEU 66 Ca 0.87 0.17 -0.38 0.00 0.08 0.00 0.00 57.88 58.61 2k04 h LEU 66 Cb 2.85 0.38 -0.06 0.00 1.08 0.00 0.00 40.66 44.91 2k04 h LEU 66 CO -0.40 -0.21 -2.40 0.59 -1.08 0.00 0.00 178.44 174.94 2k04 n ASN 67 N -5.40 1.71 -0.54 -0.43 3.02 -0.38 -5.21 115.26 108.03 2k04 n ASN 67 Ca 0.05 -0.07 0.14 0.00 -0.03 0.00 0.00 54.58 54.66 2k04 n ASN 67 Cb 0.30 -0.26 0.47 0.00 -0.61 0.00 0.00 39.78 39.69 2k04 n ASN 67 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81