#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 3.18 0.26 1.97 0.04 -1.26 -4.99 135.00 134.19 2k04 s PRO 2 Ca 0.00 -0.23 -0.15 0.00 0.04 0.00 0.00 61.00 60.66 2k04 s PRO 2 Cb 0.00 -4.24 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 2k04 s PRO 2 CO 0.00 -2.19 0.67 0.14 0.04 0.00 0.00 177.00 175.66 2k04 s VAL 3 N 5.89 4.73 -0.30 -0.36 -7.23 -1.26 -5.05 120.40 116.82 2k04 s VAL 3 Ca 0.37 0.91 0.02 0.00 -1.81 0.00 0.00 61.98 61.47 2k04 s VAL 3 Cb -0.08 -3.68 0.09 0.00 0.56 0.00 0.00 36.38 33.27 2k04 s VAL 3 CO 0.14 -0.02 0.04 -0.44 -0.31 0.00 0.00 175.10 174.51 2k04 s SER 4 N -2.08 4.29 0.00 4.85 0.01 -1.26 -4.91 113.70 114.60 2k04 s SER 4 Ca 0.48 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2k04 s SER 4 Cb -0.12 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2k04 s SER 4 CO 0.19 -0.36 0.00 -0.11 0.41 0.00 0.00 173.24 173.38 2k04 n LEU 5 N 4.56 0.43 -3.70 2.44 7.94 -1.26 -5.00 117.00 122.40 2k04 n LEU 5 Ca -0.02 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.59 2k04 n LEU 5 Cb 0.42 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.25 2k04 n LEU 5 CO 0.17 0.07 -0.22 -0.94 -1.11 0.00 0.00 177.39 175.36 2k04 s SER 6 N -2.43 3.56 -1.30 1.96 1.04 -1.26 -4.92 113.70 110.35 2k04 s SER 6 Ca 0.00 -2.88 -0.03 0.00 0.48 0.00 0.00 55.95 53.52 2k04 s SER 6 Cb 0.00 -1.06 0.02 0.00 0.10 0.00 0.00 66.02 65.07 2k04 s SER 6 CO 0.00 -0.23 0.21 -1.22 0.98 0.00 0.00 173.24 172.99 2k04 n TYR 7 N 3.21 -1.53 -4.35 5.02 4.01 -1.26 -4.95 117.16 117.30 2k04 n TYR 7 Ca 0.13 0.20 -0.29 0.00 -0.16 0.00 0.00 57.90 57.77 2k04 n TYR 7 Cb 0.36 -3.29 -0.12 0.00 -0.31 0.00 0.00 39.34 35.98 2k04 n TYR 7 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k04 s ARG 8 N -5.37 1.58 0.47 -0.72 0.52 -1.26 -5.14 118.95 109.04 2k04 s ARG 8 Ca 0.14 -1.28 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2k04 s ARG 8 Cb -0.07 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2k04 s ARG 8 CO 0.17 0.46 0.66 0.00 0.02 0.00 0.00 175.30 176.62 2k04 h PRO 10 N 0.39 0.67 -5.62 0.00 0.13 -1.96 -2.82 132.00 122.79 2k04 h PRO 10 Ca -0.42 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 2k04 h PRO 10 Cb 1.28 -0.15 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 2k04 h PRO 10 CO 0.50 0.45 1.61 0.00 -0.23 0.00 0.00 178.00 180.33 2k04 h ARG 12 N 8.42 0.00 -4.11 0.00 2.43 -1.89 -3.41 114.38 115.82 2k04 h ARG 12 Ca 0.30 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.14 2k04 h ARG 12 Cb 0.94 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.19 2k04 h ARG 12 CO 1.36 0.85 -0.75 -0.06 -1.51 0.00 0.00 179.97 179.86 2k04 s PHE 13 N -3.04 0.42 0.03 2.20 0.08 -1.26 -4.95 117.98 111.45 2k04 s PHE 13 Ca 0.00 -0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.05 2k04 s PHE 13 Cb 0.11 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 2k04 s PHE 13 CO 0.80 -0.05 -0.21 -0.59 -0.10 0.00 0.00 175.22 175.07 2k04 s PHE 14 N 0.20 2.48 -0.47 0.36 -0.12 -1.26 -4.37 117.98 114.80 2k04 s PHE 14 Ca -0.02 -0.31 -0.23 0.00 -0.05 0.00 0.00 56.93 56.32 2k04 s PHE 14 Cb -0.05 -1.46 0.03 0.00 -0.63 0.00 0.00 43.02 40.90 2k04 s PHE 14 CO -0.00 0.18 0.78 -1.21 -0.05 0.00 0.00 175.22 174.92 2k04 s GLU 15 N -1.22 3.36 0.20 1.99 0.41 0.24 -4.79 118.70 118.90 2k04 s GLU 15 Ca 0.13 -0.21 0.23 0.00 -0.41 0.00 0.00 54.97 54.70 2k04 s GLU 15 Cb -0.10 -3.97 0.03 0.00 -1.78 0.00 0.00 34.13 28.31 2k04 s GLU 15 CO 0.03 -1.17 1.08 0.77 -0.49 0.00 0.00 175.26 175.48 2k04 h SER 16 N 9.02 0.00 -3.12 -0.19 0.02 -1.95 -2.90 113.55 114.44 2k04 h SER 16 Ca -0.25 -0.02 -0.61 0.00 -0.84 0.00 0.00 61.79 60.06 2k04 h SER 16 Cb 1.09 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.22 2k04 h SER 16 CO 0.97 0.01 -0.69 -1.00 -1.14 0.00 0.00 176.83 174.98 2k04 s HIS 17 N -3.34 2.73 0.04 3.45 3.76 -1.26 -5.00 115.29 115.67 2k04 s HIS 17 Ca 0.00 -2.96 0.05 0.00 -0.15 0.00 0.00 55.06 52.00 2k04 s HIS 17 Cb 0.10 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 2k04 s HIS 17 CO 0.78 -0.66 -0.14 0.08 -0.85 0.00 0.00 174.74 173.95 2k04 s VAL 18 N -0.73 1.07 -0.14 -0.90 1.01 -1.26 -5.12 120.40 114.33 2k04 s VAL 18 Ca 0.25 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2k04 s VAL 18 Cb -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2k04 s VAL 18 CO -0.13 -0.03 0.79 0.00 0.00 0.00 0.00 175.10 175.72 2k04 s ALA 19 N -0.89 3.46 0.21 5.51 0.00 -1.26 -4.92 121.76 123.86 2k04 s ALA 19 Ca 0.01 0.05 0.30 0.00 0.00 0.00 0.00 51.96 52.32 2k04 s ALA 19 Cb -0.08 -3.14 1.29 0.00 0.00 0.00 0.00 23.12 21.19 2k04 s ALA 19 CO 0.01 -0.48 1.97 -0.09 0.00 0.00 0.00 175.76 177.17 2k04 h ARG 20 N 7.18 0.00 0.00 0.00 1.12 -2.00 -0.52 114.38 120.17 2k04 h ARG 20 Ca -0.33 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2k04 h ARG 20 Cb 1.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 2k04 h ARG 20 CO 0.80 0.11 -0.16 0.00 -3.11 0.00 0.00 179.97 177.61 2k04 n ALA 21 N -2.18 2.62 0.84 2.80 0.00 -1.26 -3.74 120.51 119.61 2k04 n ALA 21 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.38 2k04 n ALA 21 Cb 0.32 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.70 1.37 -4.90 0.00 5.15 -0.22 -4.91 115.26 110.06 2k04 n ASN 22 Ca 0.06 -1.19 -0.32 0.00 -0.60 0.00 0.00 54.58 52.54 2k04 n ASN 22 Cb 0.37 0.71 -0.05 0.00 -0.53 0.00 0.00 39.78 40.28 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 -2.40 5.18 -0.14 3.44 0.11 -1.09 0.85 120.40 126.35 2k04 s VAL 23 Ca 0.12 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 2k04 s VAL 23 Cb 0.14 -3.62 -0.23 0.00 -1.53 0.00 0.00 36.38 31.14 2k04 s VAL 23 CO 0.60 0.07 0.28 0.29 -3.33 0.00 0.00 175.10 173.00 2k04 n LYS 24 N 0.18 0.69 -3.64 1.54 5.02 0.70 -4.71 118.16 117.94 2k04 n LYS 24 Ca -0.03 0.21 0.03 0.00 -2.02 0.00 0.00 58.31 56.49 2k04 n LYS 24 Cb 0.52 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.02 0.04 2.13 -3.43 -1.26 -5.06 115.29 105.14 2k04 s HIS 25 Ca -0.18 -0.05 0.07 0.00 -0.80 0.00 0.00 55.06 54.10 2k04 s HIS 25 Cb 0.07 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.72 2k04 s HIS 25 CO 0.76 -0.17 -0.18 -0.51 -2.00 0.00 0.00 174.74 172.64 2k04 s LEU 26 N -3.09 2.62 -0.23 5.38 1.02 -1.26 -3.77 118.68 119.36 2k04 s LEU 26 Ca 0.16 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 2k04 s LEU 26 Cb 0.05 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.75 2k04 s LEU 26 CO -0.05 0.26 -0.06 -0.75 0.02 0.00 0.00 176.35 175.77 2k04 s LYS 27 N -1.43 3.11 -0.16 1.70 2.47 0.58 -4.97 119.74 121.04 2k04 s LYS 27 Ca 0.15 -0.80 -0.04 0.00 -1.56 0.00 0.00 55.97 53.72 2k04 s LYS 27 Cb -0.11 -2.97 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 2k04 s LYS 27 CO 0.05 -0.29 -0.03 0.42 0.16 0.00 0.00 175.35 175.66 2k04 s ILE 28 N 1.40 3.92 -0.39 5.43 1.01 -1.26 -0.13 121.20 131.17 2k04 s ILE 28 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2k04 s ILE 28 Cb -0.15 -2.72 0.16 0.00 0.01 0.00 0.00 42.46 39.76 2k04 s ILE 28 CO -0.05 0.49 0.40 -1.48 0.00 0.00 0.00 174.94 174.30 2k04 s LEU 29 N 0.42 0.06 -0.63 2.97 0.05 0.01 -5.03 118.68 116.53 2k04 s LEU 29 Ca -0.03 -1.85 -0.27 0.00 0.05 0.00 0.00 54.13 52.03 2k04 s LEU 29 Cb -0.14 0.51 0.03 0.00 -2.05 0.00 0.00 46.19 44.54 2k04 s LEU 29 CO 0.03 -0.23 1.19 0.21 -0.55 0.00 0.00 176.35 177.00 2k04 s ASN 30 N 1.15 6.33 0.60 1.48 2.47 -1.26 -3.50 114.94 122.21 2k04 s ASN 30 Ca 0.21 -0.16 -0.15 0.00 0.42 0.00 0.00 52.86 53.18 2k04 s ASN 30 Cb -0.12 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.11 2k04 s ASN 30 CO -0.05 -1.58 1.04 0.42 -3.72 0.00 0.00 177.10 173.22 2k04 s THR 31 N 5.10 4.03 0.00 -5.21 -4.23 -1.26 -4.92 115.64 109.15 2k04 s THR 31 Ca 0.38 0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 61.59 2k04 s THR 31 Cb -0.08 -3.47 -0.34 0.00 1.34 0.00 0.00 72.50 69.95 2k04 s THR 31 CO 0.21 -0.64 0.97 -0.65 -0.54 0.00 0.00 174.62 173.97 2k04 h PRO 32 N 0.24 0.47 -0.18 3.99 0.11 -1.95 -3.35 132.00 131.33 2k04 h PRO 32 Ca -0.46 -0.77 0.00 0.00 0.11 0.00 0.00 66.00 64.88 2k04 h PRO 32 Cb 1.21 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.60 2k04 h PRO 32 CO 0.58 1.37 0.00 0.09 -0.21 0.00 0.00 178.00 179.83 2k04 n ASN 33 N -3.88 1.54 -3.91 -2.05 4.13 -1.26 -4.83 115.26 105.00 2k04 n ASN 33 Ca -0.16 -1.74 -0.09 0.00 1.68 0.00 0.00 54.58 54.28 2k04 n ASN 33 Cb 0.99 -0.12 -0.07 0.00 -1.54 0.00 0.00 39.78 39.04 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 -0.09 -4.17 -1.83 0.00 0.00 -1.26 -4.40 120.51 108.76 2k04 n ALA 35 Ca -0.12 -1.73 -0.41 0.00 0.00 0.00 0.00 53.44 51.18 2k04 n ALA 35 Cb 0.63 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.95 3.00 -0.16 0.00 -1.52 -1.23 -4.48 119.66 114.33 2k04 s GLN 37 Ca 0.56 -0.85 0.02 0.00 -1.95 0.00 0.00 55.36 53.14 2k04 s GLN 37 Cb -0.42 -2.87 0.01 0.00 -0.22 0.00 0.00 33.01 29.51 2k04 s GLN 37 CO 0.49 -0.30 -0.21 0.42 -0.25 0.00 0.00 175.29 175.44 2k04 s ILE 38 N 1.35 2.06 -0.16 1.08 1.01 -1.24 -0.81 121.20 124.48 2k04 s ILE 38 Ca 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2k04 s ILE 38 Cb -0.15 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2k04 s ILE 38 CO -0.07 0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 174.68 2k04 s VAL 39 N 1.01 3.71 0.01 2.92 1.01 0.81 0.81 120.40 130.68 2k04 s VAL 39 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2k04 s VAL 39 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2k04 s VAL 39 CO -0.06 0.48 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 2k04 s ALA 40 N 0.53 1.43 -0.13 5.51 0.00 0.94 -0.31 121.76 129.73 2k04 s ALA 40 Ca -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2k04 s ALA 40 Cb -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2k04 s ALA 40 CO 0.03 0.33 -0.08 1.03 0.00 0.00 0.00 175.76 177.07 2k04 s ARG 41 N -0.70 3.42 0.75 0.00 0.52 -1.25 -0.50 118.95 121.18 2k04 s ARG 41 Ca 0.06 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.56 2k04 s ARG 41 Cb -0.07 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.69 2k04 s ARG 41 CO 0.00 0.30 1.10 -0.51 0.02 0.00 0.00 175.30 176.20 2k04 s LEU 42 N 0.18 2.77 -0.08 2.53 1.43 -0.23 -0.22 118.68 125.07 2k04 s LEU 42 Ca -0.04 1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.20 2k04 s LEU 42 Cb -0.14 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2k04 s LEU 42 CO 0.04 -1.61 -0.13 0.29 0.23 0.00 0.00 176.35 175.16 2k04 n LYS 43 N -3.19 0.25 0.04 1.70 5.02 0.25 -4.48 118.16 117.75 2k04 n LYS 43 Ca 0.07 0.25 -0.02 0.00 -2.02 0.00 0.00 58.31 56.59 2k04 n LYS 43 Cb 0.57 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 2k04 n LYS 43 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2k04 h ASN 44 N -0.51 -0.11 -2.93 4.39 -0.73 -1.93 -3.38 115.58 110.38 2k04 h ASN 44 Ca 0.00 0.00 -0.71 0.00 1.87 0.00 0.00 56.30 57.46 2k04 h ASN 44 Cb 0.38 0.03 -0.20 0.00 0.27 0.00 0.00 38.32 38.80 2k04 h ASN 44 CO 0.00 0.05 0.32 0.20 -0.37 0.00 0.00 177.43 177.63 2k04 s ASN 45 N -3.55 6.40 -0.47 1.15 0.01 -1.26 -4.98 114.94 112.24 2k04 s ASN 45 Ca -0.02 -1.80 -0.27 0.00 -0.71 0.00 0.00 52.86 50.06 2k04 s ASN 45 Cb 0.00 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 2k04 s ASN 45 CO 0.06 -1.02 1.86 0.21 -1.51 0.00 0.00 177.10 176.69 2k04 s ASN 46 N 3.36 5.53 0.16 -1.22 3.84 -1.26 -4.61 114.94 120.74 2k04 s ASN 46 Ca 0.19 0.85 0.04 0.00 0.21 0.00 0.00 52.86 54.15 2k04 s ASN 46 Cb -0.16 -2.53 -0.05 0.00 -0.55 0.00 0.00 41.25 37.97 2k04 s ASN 46 CO -0.00 -2.08 -0.08 -0.13 -2.79 0.00 0.00 177.10 172.02 2k04 s ARG 47 N 6.42 1.10 -0.18 0.43 1.81 -1.26 -4.93 118.95 122.34 2k04 s ARG 47 Ca 0.75 -1.48 -0.05 0.00 -1.72 0.00 0.00 55.73 53.23 2k04 s ARG 47 Cb -0.18 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.70 2k04 s ARG 47 CO 0.27 0.04 0.00 -1.14 -0.68 0.00 0.00 175.30 173.80 2k04 s GLN 48 N -3.77 3.73 0.03 3.54 0.74 -1.26 -1.06 119.66 121.60 2k04 s GLN 48 Ca 0.18 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.13 2k04 s GLN 48 Cb 0.03 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.07 2k04 s GLN 48 CO 0.02 0.17 -0.05 0.14 -0.55 0.00 0.00 175.29 175.01 2k04 s VAL 49 N 0.60 0.30 -0.16 1.34 -7.23 0.34 -4.99 120.40 110.59 2k04 s VAL 49 Ca -0.01 -1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 59.01 2k04 s VAL 49 Cb -0.14 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 2k04 s VAL 49 CO 0.02 -0.51 0.06 0.00 -0.31 0.00 0.00 175.10 174.36 2k04 s ILE 51 N 0.05 4.55 -0.07 0.00 -1.09 0.24 0.81 121.20 125.69 2k04 s ILE 51 Ca 0.06 -0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 2k04 s ILE 51 Cb -0.12 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 2k04 s ILE 51 CO 0.01 0.32 1.28 -0.62 -1.23 0.00 0.00 174.94 174.69 2k04 s ASP 52 N -1.80 6.97 0.00 3.58 2.15 -1.10 -3.72 116.67 122.76 2k04 s ASP 52 Ca 0.23 1.86 0.16 0.00 0.43 0.00 0.00 52.55 55.23 2k04 s ASP 52 Cb -0.12 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 40.89 2k04 s ASP 52 CO 0.14 -0.67 1.41 -0.81 -0.17 0.00 0.00 175.17 175.07 2k04 n PRO 53 N 5.66 0.69 0.00 4.34 -0.04 -1.26 -2.28 135.00 142.11 2k04 n PRO 53 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 2k04 n PRO 53 Cb 0.45 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.85 1.60 -1.90 0.54 5.02 -1.26 -4.69 118.16 116.61 2k04 n LYS 54 Ca 0.12 -1.36 -0.41 0.00 -2.02 0.00 0.00 58.31 54.64 2k04 n LYS 54 Cb 0.05 -1.35 -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 -1.77 4.35 0.24 -0.35 1.43 -0.97 -4.82 118.68 116.79 2k04 s LEU 55 Ca 0.19 2.94 -0.07 0.00 -1.03 0.00 0.00 54.13 56.17 2k04 s LEU 55 Cb 0.15 -3.66 0.26 0.00 0.03 0.00 0.00 46.19 42.97 2k04 s LEU 55 CO 0.31 -0.77 1.89 0.50 0.23 0.00 0.00 176.35 178.51 2k04 h LYS 56 N 3.11 1.11 0.00 1.70 1.63 -1.93 0.30 116.57 122.49 2k04 h LYS 56 Ca -0.50 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.16 2k04 h LYS 56 Cb 1.24 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 2k04 h LYS 56 CO 0.64 0.73 -0.32 0.11 -3.45 0.00 0.00 179.45 177.17 2k04 h TRP 57 N 1.14 0.00 -0.17 1.91 5.08 -1.97 -1.99 115.95 119.95 2k04 h TRP 57 Ca 0.35 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.13 2k04 h TRP 57 Cb -0.04 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.13 2k04 h TRP 57 CO -0.01 0.32 -0.62 0.82 -1.28 0.00 0.00 178.44 177.67 2k04 h ILE 58 N 0.00 1.31 0.11 0.12 1.08 -1.49 -2.86 117.51 115.77 2k04 h ILE 58 Ca -0.00 -1.85 0.01 0.00 -0.39 0.00 0.00 64.86 62.63 2k04 h ILE 58 Cb 0.67 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 2k04 h ILE 58 CO 0.04 0.58 -0.15 1.56 -0.69 0.00 0.00 178.15 179.49 2k04 h GLN 59 N 0.42 -0.30 -0.60 2.37 1.08 0.14 -0.17 115.11 118.05 2k04 h GLN 59 Ca -0.03 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2k04 h GLN 59 Cb 1.24 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 2k04 h GLN 59 CO 0.13 -0.20 0.37 0.93 -0.95 0.00 0.00 178.83 179.12 2k04 h GLU 60 N -0.31 0.81 0.04 1.46 4.39 -1.49 0.18 114.58 119.67 2k04 h GLU 60 Ca 0.02 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k04 h GLU 60 Cb 0.31 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2k04 h GLU 60 CO -0.07 0.57 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.41 2k04 h TYR 61 N 0.81 -0.05 0.05 4.33 3.20 -1.21 0.26 116.97 124.36 2k04 h TYR 61 Ca 0.22 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2k04 h TYR 61 Cb -0.04 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2k04 h TYR 61 CO -0.02 0.07 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.48 2k04 h LEU 62 N -0.16 -0.05 -0.38 2.82 3.38 -0.80 -2.67 115.31 117.44 2k04 h LEU 62 Ca -0.01 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k04 h LEU 62 Cb 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k04 h LEU 62 CO 0.01 0.02 0.23 -0.33 0.09 0.00 0.00 178.44 178.46 2k04 h GLU 63 N -0.12 0.45 0.00 1.13 5.08 -0.82 -2.72 114.58 117.57 2k04 h GLU 63 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2k04 h GLU 63 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2k04 h GLU 63 CO 0.01 0.29 -0.22 0.87 -1.00 0.00 0.00 179.01 178.96 2k04 h LYS 64 N 0.46 0.00 0.12 2.33 1.79 -0.40 -0.62 116.57 120.25 2k04 h LYS 64 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2k04 h LYS 64 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k04 h LYS 64 CO -0.06 0.22 -0.06 0.00 -1.08 0.00 0.00 179.45 178.47 2k04 h LEU 66 N -0.76 0.00 -1.58 0.00 8.10 -1.38 -2.91 115.31 116.79 2k04 h LEU 66 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 2k04 h LEU 66 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2k04 h LEU 66 CO 0.03 0.53 0.00 -1.13 -4.11 0.00 0.00 178.44 173.76 2k04 h ASN 67 N 0.00 0.00 0.00 0.17 -0.73 -1.20 -3.52 115.58 110.30 2k04 h ASN 67 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2k04 h ASN 67 Cb 1.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.66 2k04 h ASN 67 CO 0.07 0.00 0.00 0.29 -0.37 0.00 0.00 177.43 177.42