#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 4.30 -0.99 1.97 0.04 -1.26 -5.01 135.00 134.05 2k04 s PRO 2 Ca 0.00 0.62 -0.23 0.00 0.04 0.00 0.00 61.00 61.43 2k04 s PRO 2 Cb 0.00 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 31.23 2k04 s PRO 2 CO 0.00 0.29 1.39 0.54 0.04 0.00 0.00 177.00 179.26 2k04 s VAL 3 N 0.12 4.03 -0.09 -0.36 0.11 -1.26 -4.96 120.40 117.99 2k04 s VAL 3 Ca 0.29 -0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 58.45 2k04 s VAL 3 Cb -0.17 -5.01 -0.04 0.00 -1.53 0.00 0.00 36.38 29.63 2k04 s VAL 3 CO 0.14 -1.87 0.16 -0.94 -3.33 0.00 0.00 175.10 169.27 2k04 s SER 4 N 4.72 6.41 0.44 3.54 1.04 -1.26 -5.01 113.70 123.58 2k04 s SER 4 Ca 0.43 0.47 0.07 0.00 0.48 0.00 0.00 55.95 57.40 2k04 s SER 4 Cb -0.01 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2k04 s SER 4 CO -0.09 0.37 0.21 -0.76 0.98 0.00 0.00 173.24 173.96 2k04 s LEU 5 N -1.23 3.02 -0.02 2.42 2.01 -1.26 -5.07 118.68 118.55 2k04 s LEU 5 Ca 0.18 -1.12 -0.13 0.00 0.01 0.00 0.00 54.13 53.07 2k04 s LEU 5 Cb -0.12 -1.40 -0.07 0.00 0.01 0.00 0.00 46.19 44.61 2k04 s LEU 5 CO 0.08 -0.65 0.66 0.77 1.01 0.00 0.00 176.35 178.21 2k04 h SER 6 N 1.30 -0.39 -2.27 2.29 4.64 -2.01 -3.39 113.55 113.72 2k04 h SER 6 Ca -0.42 0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.30 2k04 h SER 6 Cb 1.26 0.10 -0.41 0.00 -0.31 0.00 0.00 62.40 63.05 2k04 h SER 6 CO 0.68 -0.09 -0.46 -1.22 -0.87 0.00 0.00 176.83 174.87 2k04 n TYR 7 N -4.30 3.69 -4.11 4.77 4.02 -1.26 -4.99 117.16 114.98 2k04 n TYR 7 Ca -0.06 -3.94 -0.08 0.00 -0.01 0.00 0.00 57.90 53.81 2k04 n TYR 7 Cb 0.18 -0.60 -0.10 0.00 -0.02 0.00 0.00 39.34 38.80 2k04 n TYR 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2k04 s ARG 8 N -2.94 0.77 0.48 -0.72 0.52 -1.26 -5.17 118.95 110.62 2k04 s ARG 8 Ca 0.43 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2k04 s ARG 8 Cb 0.19 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.90 2k04 s ARG 8 CO -0.05 -0.19 0.70 0.00 0.02 0.00 0.00 175.30 175.78 2k04 h PRO 10 N 0.30 0.00 -6.16 0.00 0.11 -1.99 -3.17 132.00 121.09 2k04 h PRO 10 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 2k04 h PRO 10 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 2k04 h PRO 10 CO 0.56 0.00 1.18 0.00 -0.21 0.00 0.00 178.00 179.53 2k04 h ARG 12 N 11.77 0.15 -3.74 0.00 3.08 -1.94 -3.42 114.38 120.27 2k04 h ARG 12 Ca -0.20 -0.15 -0.37 0.00 0.07 0.00 0.00 59.98 59.32 2k04 h ARG 12 Cb 1.08 0.04 -0.35 0.00 0.08 0.00 0.00 29.97 30.82 2k04 h ARG 12 CO 1.27 0.89 -0.75 -0.06 -1.07 0.00 0.00 179.97 180.25 2k04 s PHE 13 N -3.15 0.43 -0.10 3.04 0.08 -1.26 -4.98 117.98 112.03 2k04 s PHE 13 Ca -0.16 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2k04 s PHE 13 Cb 0.01 -0.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 2k04 s PHE 13 CO 0.73 -0.18 -0.18 -0.59 -0.10 0.00 0.00 175.22 174.90 2k04 s PHE 14 N 1.23 2.67 -0.22 0.36 -0.12 -1.26 -3.03 117.98 117.62 2k04 s PHE 14 Ca -0.07 -0.73 -0.08 0.00 -0.05 0.00 0.00 56.93 56.00 2k04 s PHE 14 Cb -0.13 -1.75 -0.04 0.00 -0.63 0.00 0.00 43.02 40.47 2k04 s PHE 14 CO -0.02 -0.24 0.10 -2.00 -0.05 0.00 0.00 175.22 173.01 2k04 s GLU 15 N 0.17 3.94 0.14 1.99 2.56 -0.51 -4.79 118.70 122.20 2k04 s GLU 15 Ca -0.10 -0.35 0.24 0.00 0.00 0.00 0.00 54.97 54.76 2k04 s GLU 15 Cb -0.16 -3.34 0.38 0.00 2.00 0.00 0.00 34.13 33.01 2k04 s GLU 15 CO 0.06 0.10 1.37 0.66 -0.56 0.00 0.00 175.26 176.89 2k04 h SER 16 N 7.29 0.00 -0.34 -1.70 4.64 -1.93 -3.26 113.55 118.25 2k04 h SER 16 Ca -0.37 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2k04 h SER 16 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k04 h SER 16 CO 0.66 0.08 0.00 1.41 -0.87 0.00 0.00 176.83 178.11 2k04 n HIS 17 N -2.19 0.44 -1.85 4.77 8.25 -1.26 -4.97 115.22 118.40 2k04 n HIS 17 Ca 0.03 -0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 56.84 2k04 n HIS 17 Cb 0.45 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.41 2.17 -0.04 1.59 1.01 -1.24 -4.96 120.40 117.52 2k04 s VAL 18 Ca 0.35 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 2k04 s VAL 18 Cb 0.21 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2k04 s VAL 18 CO 0.29 0.04 0.60 0.00 0.00 0.00 0.00 175.10 176.03 2k04 s ALA 19 N -1.06 3.44 0.29 5.51 0.00 -1.26 -4.95 121.76 123.74 2k04 s ALA 19 Ca 0.53 0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.67 2k04 s ALA 19 Cb -0.45 -2.78 0.76 0.00 0.00 0.00 0.00 23.12 20.64 2k04 s ALA 19 CO 0.61 0.06 1.80 -0.09 0.00 0.00 0.00 175.76 178.13 2k04 h ARG 20 N 6.16 0.00 0.00 0.00 2.43 -1.94 -2.31 114.38 118.72 2k04 h ARG 20 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2k04 h ARG 20 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2k04 h ARG 20 CO 0.72 0.37 0.00 0.00 -1.51 0.00 0.00 179.97 179.55 2k04 n ALA 21 N -2.37 1.42 0.53 2.80 0.00 -1.26 -1.77 120.51 119.86 2k04 n ALA 21 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2k04 n ALA 21 Cb 0.45 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.62 1.35 -4.81 0.00 5.15 -0.88 -4.95 115.26 109.50 2k04 n ASN 22 Ca 0.02 -1.18 -0.33 0.00 -0.60 0.00 0.00 54.58 52.49 2k04 n ASN 22 Cb 0.12 0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 39.76 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 -1.52 4.91 -0.17 3.44 0.11 -0.73 -0.33 120.40 126.11 2k04 s VAL 23 Ca 0.10 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2k04 s VAL 23 Cb 0.10 -3.24 -0.22 0.00 -1.53 0.00 0.00 36.38 31.49 2k04 s VAL 23 CO 0.30 0.38 0.14 0.29 -3.33 0.00 0.00 175.10 172.87 2k04 n LYS 24 N 1.25 0.70 -3.59 1.54 5.02 -0.63 -4.73 118.16 117.72 2k04 n LYS 24 Ca -0.13 0.19 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 2k04 n LYS 24 Cb 0.53 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.54 -0.28 0.02 2.13 -3.43 -1.25 -5.07 115.29 104.86 2k04 s HIS 25 Ca -0.24 0.08 0.07 0.00 -0.80 0.00 0.00 55.06 54.16 2k04 s HIS 25 Cb 0.08 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.77 2k04 s HIS 25 CO 0.72 -0.68 -0.18 -0.51 -2.00 0.00 0.00 174.74 172.09 2k04 s LEU 26 N -2.67 2.59 -0.23 5.38 1.43 -1.26 -2.88 118.68 121.03 2k04 s LEU 26 Ca 0.07 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2k04 s LEU 26 Cb -0.01 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2k04 s LEU 26 CO -0.05 0.28 -0.06 -0.75 0.23 0.00 0.00 176.35 176.00 2k04 s LYS 27 N -1.25 3.10 -0.26 1.70 2.20 0.66 -4.94 119.74 120.95 2k04 s LYS 27 Ca 0.14 -0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 54.86 2k04 s LYS 27 Cb -0.10 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2k04 s LYS 27 CO 0.04 -0.30 0.12 0.42 -0.36 0.00 0.00 175.35 175.27 2k04 s ILE 28 N 1.40 4.70 -0.07 5.43 1.01 -1.26 -0.40 121.20 132.00 2k04 s ILE 28 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.68 2k04 s ILE 28 Cb -0.15 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2k04 s ILE 28 CO -0.04 0.31 -0.18 -0.22 0.00 0.00 0.00 174.94 174.81 2k04 s LEU 29 N 1.67 2.51 -0.36 2.97 2.96 0.77 -4.99 118.68 124.20 2k04 s LEU 29 Ca 0.07 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2k04 s LEU 29 Cb -0.15 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 45.11 2k04 s LEU 29 CO 0.06 0.27 0.12 0.21 -1.32 0.00 0.00 176.35 175.69 2k04 s ASN 30 N -0.27 5.11 0.30 3.68 3.04 -1.26 -0.40 114.94 125.14 2k04 s ASN 30 Ca 0.01 -1.71 0.03 0.00 0.04 0.00 0.00 52.86 51.23 2k04 s ASN 30 Cb -0.13 -1.78 -0.03 0.00 -1.54 0.00 0.00 41.25 37.77 2k04 s ASN 30 CO 0.03 -0.42 0.46 0.42 -3.04 0.00 0.00 177.10 174.54 2k04 s THR 31 N 1.19 5.00 0.02 -5.21 -4.23 -1.23 -5.05 115.64 106.13 2k04 s THR 31 Ca 0.03 -0.78 -0.27 0.00 -1.18 0.00 0.00 61.69 59.50 2k04 s THR 31 Cb -0.21 -3.79 -0.16 0.00 1.34 0.00 0.00 72.50 69.68 2k04 s THR 31 CO -0.03 -0.39 1.25 -0.65 -0.54 0.00 0.00 174.62 174.26 2k04 h PRO 32 N 0.95 -0.68 -0.08 3.99 0.11 -1.99 -3.33 132.00 130.97 2k04 h PRO 32 Ca -0.50 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2k04 h PRO 32 Cb 1.23 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2k04 h PRO 32 CO 0.60 -0.38 0.00 -1.71 -0.21 0.00 0.00 178.00 176.30 2k04 n ASN 33 N -5.30 2.69 -4.18 -2.05 4.05 -1.26 -4.81 115.26 104.41 2k04 n ASN 33 Ca -0.11 -1.88 -0.27 0.00 0.45 0.00 0.00 54.58 52.76 2k04 n ASN 33 Cb 0.32 -0.03 -0.16 0.00 1.23 0.00 0.00 39.78 41.14 2k04 n ASN 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k04 n ALA 35 N 3.03 0.00 -3.99 0.00 0.00 -1.26 -3.53 120.51 114.76 2k04 n ALA 35 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2k04 n ALA 35 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 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 1.50 2.38 -0.24 0.00 -1.52 0.46 -4.48 119.66 117.76 2k04 s GLN 37 Ca 0.03 -1.79 -0.08 0.00 -1.95 0.00 0.00 55.36 51.57 2k04 s GLN 37 Cb -0.14 -3.86 -0.03 0.00 -0.22 0.00 0.00 33.01 28.76 2k04 s GLN 37 CO -0.10 -1.17 0.09 0.42 -0.25 0.00 0.00 175.29 174.28 2k04 s ILE 38 N 1.30 4.59 -0.18 1.08 1.01 -1.26 -0.16 121.20 127.57 2k04 s ILE 38 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 2k04 s ILE 38 Cb -0.25 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2k04 s ILE 38 CO -0.02 0.34 -0.02 -0.69 0.00 0.00 0.00 174.94 174.56 2k04 s VAL 39 N 1.42 3.90 -0.18 2.92 1.01 0.46 0.36 120.40 130.29 2k04 s VAL 39 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2k04 s VAL 39 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2k04 s VAL 39 CO 0.05 0.45 -0.04 0.00 0.00 0.00 0.00 175.10 175.56 2k04 s ALA 40 N 0.78 2.92 -0.24 5.51 0.00 0.12 -0.24 121.76 130.60 2k04 s ALA 40 Ca -0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2k04 s ALA 40 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2k04 s ALA 40 CO 0.02 0.01 0.29 0.50 0.00 0.00 0.00 175.76 176.57 2k04 s ARG 41 N 0.73 4.07 0.79 0.00 3.52 -1.14 -1.17 118.95 125.75 2k04 s ARG 41 Ca -0.02 -0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.41 2k04 s ARG 41 Cb -0.15 -3.58 0.07 0.00 -1.56 0.00 0.00 34.95 29.73 2k04 s ARG 41 CO 0.02 -0.08 1.09 -0.51 -0.81 0.00 0.00 175.30 175.01 2k04 s LEU 42 N 1.46 2.89 0.85 -0.88 1.43 -0.93 -1.60 118.68 121.91 2k04 s LEU 42 Ca 0.13 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 2k04 s LEU 42 Cb -0.15 -4.40 0.09 0.00 0.03 0.00 0.00 46.19 41.76 2k04 s LEU 42 CO 0.08 -2.11 1.03 0.29 0.23 0.00 0.00 176.35 175.87 2k04 n LYS 43 N -3.57 -0.07 -0.70 1.70 5.02 0.55 -4.60 118.16 116.49 2k04 n LYS 43 Ca 0.09 0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 2k04 n LYS 43 Cb 0.53 -2.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 2k04 n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k04 n ASN 44 N -3.10 0.46 -2.27 4.39 5.15 -1.26 -3.62 115.26 115.01 2k04 n ASN 44 Ca 0.12 0.44 -0.02 0.00 -0.60 0.00 0.00 54.58 54.52 2k04 n ASN 44 Cb 0.51 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 2k04 n ASN 44 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2k04 n ASN 45 N 2.40 -5.62 -1.70 1.20 5.15 -1.26 -5.09 115.26 110.34 2k04 n ASN 45 Ca 0.18 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 2k04 n ASN 45 Cb -0.02 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 2k04 n ASN 45 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2k04 n ASN 46 N 0.06 -0.36 -3.13 1.20 2.85 -1.24 -5.12 115.26 109.52 2k04 n ASN 46 Ca 0.03 -1.12 -0.13 0.00 -0.11 0.00 0.00 54.58 53.25 2k04 n ASN 46 Cb 0.13 0.56 0.08 0.00 1.24 0.00 0.00 39.78 41.79 2k04 n ASN 46 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2k04 n ARG 47 N -0.23 -0.21 -4.86 1.20 1.74 -1.26 -4.85 116.66 108.19 2k04 n ARG 47 Ca 0.01 -1.22 -0.27 0.00 -0.77 0.00 0.00 57.85 55.60 2k04 n ARG 47 Cb 0.15 -0.52 -0.17 0.00 -1.02 0.00 0.00 32.46 30.91 2k04 n ARG 47 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k04 s GLN 48 N -4.13 2.18 0.13 5.56 -0.21 -1.26 -2.18 119.66 119.75 2k04 s GLN 48 Ca 0.36 -0.62 0.05 0.00 0.02 0.00 0.00 55.36 55.17 2k04 s GLN 48 Cb -0.01 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 2k04 s GLN 48 CO 0.25 0.13 -0.11 0.14 -2.12 0.00 0.00 175.29 173.58 2k04 s VAL 49 N 0.40 1.17 0.04 1.09 -7.23 -0.32 -4.98 120.40 110.57 2k04 s VAL 49 Ca -0.13 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2k04 s VAL 49 Cb -0.16 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2k04 s VAL 49 CO 0.05 -0.61 0.15 0.00 -0.31 0.00 0.00 175.10 174.38 2k04 s ILE 51 N -1.38 2.98 -0.16 0.00 -1.09 0.16 -1.42 121.20 120.29 2k04 s ILE 51 Ca 0.29 -1.20 -0.29 0.00 -2.23 0.00 0.00 60.65 57.22 2k04 s ILE 51 Cb -0.13 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 2k04 s ILE 51 CO 0.22 0.28 1.60 -0.62 -1.23 0.00 0.00 174.94 175.18 2k04 s ASP 52 N -1.65 6.52 0.00 3.58 -1.08 -1.23 -4.07 116.67 118.74 2k04 s ASP 52 Ca 0.16 1.83 0.28 0.00 -0.52 0.00 0.00 52.55 54.31 2k04 s ASP 52 Cb -0.11 -2.53 1.58 0.00 -1.46 0.00 0.00 42.92 40.40 2k04 s ASP 52 CO 0.07 -1.11 2.01 -0.81 0.52 0.00 0.00 175.17 175.86 2k04 n PRO 53 N 7.40 0.67 -0.12 4.34 -0.04 -1.26 -2.64 135.00 143.34 2k04 n PRO 53 Ca 0.18 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2k04 n PRO 53 Cb 0.44 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.13 2.27 -1.82 0.54 5.02 -1.26 -4.48 118.16 117.29 2k04 n LYS 54 Ca 0.18 -2.07 -0.41 0.00 -2.02 0.00 0.00 58.31 53.99 2k04 n LYS 54 Cb 0.16 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.50 4.34 0.41 -0.35 1.43 -1.08 -4.80 118.68 117.13 2k04 s LEU 55 Ca 0.32 2.98 0.10 0.00 -1.03 0.00 0.00 54.13 56.50 2k04 s LEU 55 Cb 0.20 -3.65 0.87 0.00 0.03 0.00 0.00 46.19 43.64 2k04 s LEU 55 CO 0.28 -0.86 1.99 0.50 0.23 0.00 0.00 176.35 178.49 2k04 h LYS 56 N 3.81 0.30 0.00 1.70 1.63 -1.91 0.37 116.57 122.47 2k04 h LYS 56 Ca -0.49 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.19 2k04 h LYS 56 Cb 1.23 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2k04 h LYS 56 CO 0.71 0.32 -0.36 0.11 -3.45 0.00 0.00 179.45 176.78 2k04 h TRP 57 N 0.30 0.00 -0.02 1.91 5.08 -1.97 0.92 115.95 122.18 2k04 h TRP 57 Ca 0.07 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.94 2k04 h TRP 57 Cb 0.19 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.35 2k04 h TRP 57 CO 0.00 0.36 -0.40 0.82 -1.28 0.00 0.00 178.44 177.94 2k04 h ILE 58 N 0.00 1.47 -0.21 0.12 1.08 -1.33 -2.95 117.51 115.69 2k04 h ILE 58 Ca -0.00 -1.95 0.05 0.00 -0.39 0.00 0.00 64.86 62.56 2k04 h ILE 58 Cb 0.72 2.61 -0.05 0.00 -3.07 0.00 0.00 36.82 37.02 2k04 h ILE 58 CO 0.05 0.55 -0.13 1.56 -0.69 0.00 0.00 178.15 179.49 2k04 h GLN 59 N -0.27 -0.12 -0.47 2.37 1.08 0.10 0.47 115.11 118.27 2k04 h GLN 59 Ca -0.05 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2k04 h GLN 59 Cb 1.12 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.54 2k04 h GLN 59 CO 0.08 -0.08 0.22 0.93 -0.95 0.00 0.00 178.83 179.04 2k04 h GLU 60 N -0.12 0.43 -0.31 1.46 4.39 -0.95 0.66 114.58 120.14 2k04 h GLU 60 Ca 0.12 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2k04 h GLU 60 Cb 0.30 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2k04 h GLU 60 CO -0.29 0.29 0.20 -0.92 -1.16 0.00 0.00 179.01 177.13 2k04 h TYR 61 N 0.44 0.39 -0.01 4.33 3.20 -1.18 0.12 116.97 124.28 2k04 h TYR 61 Ca 0.21 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2k04 h TYR 61 Cb 0.13 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2k04 h TYR 61 CO -0.11 0.27 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.54 2k04 h LEU 62 N 0.41 -0.20 -1.97 2.82 3.38 -0.58 -2.55 115.31 116.62 2k04 h LEU 62 Ca 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k04 h LEU 62 Cb -0.02 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k04 h LEU 62 CO -0.02 -0.10 -0.07 -0.33 0.09 0.00 0.00 178.44 178.01 2k04 h GLU 63 N -0.12 0.00 0.00 1.13 5.08 -0.21 -2.51 114.58 117.95 2k04 h GLU 63 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2k04 h GLU 63 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2k04 h GLU 63 CO -0.08 0.07 -0.97 0.87 -1.00 0.00 0.00 179.01 177.90 2k04 h LYS 64 N 0.00 0.00 0.00 2.33 1.79 -0.52 -3.32 116.57 116.84 2k04 h LYS 64 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2k04 h LYS 64 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2k04 h LYS 64 CO 0.01 0.43 -0.09 0.00 -1.08 0.00 0.00 179.45 178.72 2k04 h LEU 66 N 0.00 0.31 0.22 0.00 -0.00 -1.67 -2.83 115.31 111.34 2k04 h LEU 66 Ca -0.00 0.07 -0.33 0.00 -0.00 0.00 0.00 57.88 57.62 2k04 h LEU 66 Cb 0.52 0.03 0.03 0.00 -0.00 0.00 0.00 40.66 41.24 2k04 h LEU 66 CO 0.01 0.18 -1.55 0.78 -0.00 0.00 0.00 178.44 177.86 2k04 h ASN 67 N 0.48 0.72 -0.02 -0.43 4.21 -1.77 -3.54 115.58 115.23 2k04 h ASN 67 Ca 0.33 -0.93 0.00 0.00 1.21 0.00 0.00 56.30 56.91 2k04 h ASN 67 Cb 0.39 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2k04 h ASN 67 CO -0.30 1.73 0.00 2.29 -1.29 0.00 0.00 177.43 179.86