#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k05 s PRO 2 N 0.00 3.47 -0.91 1.97 0.04 -1.26 -4.92 135.00 133.39 2k05 s PRO 2 Ca 0.00 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 2k05 s PRO 2 Cb 0.00 -4.13 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2k05 s PRO 2 CO 0.00 -1.70 1.50 0.14 0.04 0.00 0.00 177.00 176.99 2k05 s VAL 3 N 6.26 3.77 -0.21 -0.36 -7.23 -1.26 -4.90 120.40 116.47 2k05 s VAL 3 Ca 0.74 -0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 2k05 s VAL 3 Cb -0.20 -4.81 0.07 0.00 0.56 0.00 0.00 36.38 32.00 2k05 s VAL 3 CO 0.33 -1.72 0.05 -0.94 -0.31 0.00 0.00 175.10 172.52 2k05 s SER 4 N 5.29 3.02 0.09 4.85 1.04 -1.26 -5.12 113.70 121.61 2k05 s SER 4 Ca 0.48 -0.92 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 2k05 s SER 4 Cb -0.04 -0.57 0.03 0.00 0.10 0.00 0.00 66.02 65.54 2k05 s SER 4 CO -0.00 -0.33 0.37 -1.48 0.98 0.00 0.00 173.24 172.77 2k05 s LEU 5 N 1.88 0.56 -0.19 2.42 0.05 -1.26 -5.05 118.68 117.09 2k05 s LEU 5 Ca 0.01 -0.25 -0.19 0.00 0.05 0.00 0.00 54.13 53.75 2k05 s LEU 5 Cb -0.17 1.68 -0.16 0.00 -2.05 0.00 0.00 46.19 45.49 2k05 s LEU 5 CO -0.12 -0.76 0.16 0.28 -0.55 0.00 0.00 176.35 175.36 2k05 h SER 6 N 2.67 0.00 -0.68 1.48 0.02 -2.05 -3.48 113.55 111.51 2k05 h SER 6 Ca -0.33 -0.42 0.20 0.00 -0.84 0.00 0.00 61.79 60.40 2k05 h SER 6 Cb 1.23 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.54 2k05 h SER 6 CO 0.47 1.28 0.22 -0.72 -1.14 0.00 0.00 176.83 176.94 2k05 s TYR 7 N -2.31 -0.59 0.11 3.45 1.13 -1.26 -5.18 117.35 112.70 2k05 s TYR 7 Ca -0.24 0.87 0.01 0.00 -1.41 0.00 0.00 57.07 56.30 2k05 s TYR 7 Cb 0.04 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 2k05 s TYR 7 CO 0.51 -0.31 -0.03 1.03 -2.51 0.00 0.00 175.55 174.24 2k05 s ARG 8 N 2.57 0.86 -0.06 -3.49 0.52 -1.26 -5.05 118.95 113.03 2k05 s ARG 8 Ca -0.01 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 53.89 2k05 s ARG 8 Cb -0.07 -0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.31 2k05 s ARG 8 CO -0.15 -0.08 -0.22 0.00 0.02 0.00 0.00 175.30 174.86 2k05 h PRO 10 N 6.32 -0.55 -5.58 0.00 0.11 -2.00 -3.42 132.00 126.87 2k05 h PRO 10 Ca -0.29 0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.20 2k05 h PRO 10 Cb 1.19 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 2k05 h PRO 10 CO 0.47 -0.37 -0.48 0.00 -0.21 0.00 0.00 178.00 177.42 2k05 h ARG 12 N 5.28 0.21 -4.46 0.00 9.65 -2.02 -3.46 114.38 119.59 2k05 h ARG 12 Ca -0.52 -0.37 -0.29 0.00 -1.10 0.00 0.00 59.98 57.70 2k05 h ARG 12 Cb 1.22 0.14 -0.24 0.00 -1.39 0.00 0.00 29.97 29.69 2k05 h ARG 12 CO 0.61 1.07 -0.74 -0.06 2.80 0.00 0.00 179.97 183.66 2k05 s PHE 13 N -2.63 0.59 -0.03 2.20 0.08 -1.26 -5.16 117.98 111.77 2k05 s PHE 13 Ca -0.07 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2k05 s PHE 13 Cb 0.07 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2k05 s PHE 13 CO 0.85 -0.06 -0.01 -0.59 -0.10 0.00 0.00 175.22 175.31 2k05 s PHE 14 N -0.94 0.41 0.24 0.36 -0.12 -1.26 -4.55 117.98 112.12 2k05 s PHE 14 Ca -0.06 -0.05 -0.30 0.00 -0.05 0.00 0.00 56.93 56.47 2k05 s PHE 14 Cb -0.07 -0.44 -0.11 0.00 -0.63 0.00 0.00 43.02 41.77 2k05 s PHE 14 CO 0.00 -0.13 1.53 -1.21 -0.05 0.00 0.00 175.22 175.36 2k05 s GLU 15 N 0.90 4.21 0.00 1.99 2.02 0.38 -4.27 118.70 123.93 2k05 s GLU 15 Ca -0.10 2.41 0.05 0.00 0.02 0.00 0.00 54.97 57.35 2k05 s GLU 15 Cb -0.13 -3.10 0.09 0.00 0.10 0.00 0.00 34.13 31.09 2k05 s GLU 15 CO -0.01 -0.54 0.86 -1.13 0.02 0.00 0.00 175.26 174.46 2k05 n SER 16 N 2.80 1.88 -0.11 -0.19 3.41 -1.26 -0.09 113.62 120.05 2k05 n SER 16 Ca 0.09 -1.55 0.03 0.00 -0.26 0.00 0.00 58.87 57.18 2k05 n SER 16 Cb 0.39 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2k05 n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k05 n HIS 17 N 0.17 0.00 -2.04 7.33 8.25 -1.26 -5.00 115.22 122.67 2k05 n HIS 17 Ca 0.04 -0.45 -0.35 0.00 -0.26 0.00 0.00 57.72 56.69 2k05 n HIS 17 Cb 0.22 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.29 2k05 n HIS 17 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k05 s VAL 18 N -1.17 2.79 -0.14 1.59 0.11 -1.26 -5.01 120.40 117.31 2k05 s VAL 18 Ca 0.09 0.48 -0.06 0.00 -2.93 0.00 0.00 61.98 59.56 2k05 s VAL 18 Cb 0.08 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2k05 s VAL 18 CO 0.01 -0.12 0.08 0.00 -3.33 0.00 0.00 175.10 171.74 2k05 s ALA 19 N -1.70 3.56 0.47 1.54 0.00 -1.26 -4.98 121.76 119.39 2k05 s ALA 19 Ca 0.75 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 52.16 2k05 s ALA 19 Cb -0.28 -1.87 1.14 0.00 0.00 0.00 0.00 23.12 22.11 2k05 s ALA 19 CO 0.32 0.41 2.03 -0.09 0.00 0.00 0.00 175.76 178.43 2k05 h ARG 20 N 5.81 0.24 0.00 0.00 9.65 -1.97 -2.04 114.38 126.07 2k05 h ARG 20 Ca -0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2k05 h ARG 20 Cb 1.19 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2k05 h ARG 20 CO 0.64 0.16 -0.10 0.00 2.80 0.00 0.00 179.97 183.47 2k05 n ALA 21 N -2.54 2.52 -0.02 2.80 0.00 -1.26 -4.04 120.51 117.96 2k05 n ALA 21 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k05 n ALA 21 Cb 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2k05 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k05 n ASN 22 N -1.66 1.65 -4.92 0.00 5.15 -0.77 -4.99 115.26 109.72 2k05 n ASN 22 Ca 0.06 -1.67 -0.27 0.00 -0.60 0.00 0.00 54.58 52.10 2k05 n ASN 22 Cb 0.36 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.58 2k05 n ASN 22 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2k05 s VAL 23 N -0.67 5.17 -0.00 3.44 -7.23 -1.20 0.24 120.40 120.16 2k05 s VAL 23 Ca 0.00 -0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2k05 s VAL 23 Cb 0.00 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.20 2k05 s VAL 23 CO 0.00 -0.21 -0.01 0.29 -0.31 0.00 0.00 175.10 174.86 2k05 n LYS 24 N -0.75 0.01 -4.42 4.82 5.02 0.28 -4.49 118.16 118.64 2k05 n LYS 24 Ca -0.04 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 2k05 n LYS 24 Cb 0.54 -0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 34.73 2k05 n LYS 24 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2k05 s HIS 25 N -1.04 1.88 -0.12 2.13 -3.43 -1.25 -4.98 115.29 108.48 2k05 s HIS 25 Ca -0.01 -0.88 0.02 0.00 -0.80 0.00 0.00 55.06 53.39 2k05 s HIS 25 Cb 0.00 -1.16 -0.01 0.00 -1.43 0.00 0.00 32.58 29.98 2k05 s HIS 25 CO 0.01 0.07 -0.19 -0.51 -2.00 0.00 0.00 174.74 172.12 2k05 s LEU 26 N -3.44 2.39 -0.23 5.38 1.02 -1.26 -2.72 118.68 119.82 2k05 s LEU 26 Ca 0.33 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 2k05 s LEU 26 Cb 0.07 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.78 2k05 s LEU 26 CO 0.13 0.16 -0.07 -0.75 0.02 0.00 0.00 176.35 175.84 2k05 s LYS 27 N 0.37 3.11 -0.25 1.70 2.20 0.19 -4.92 119.74 122.14 2k05 s LYS 27 Ca -0.15 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.59 2k05 s LYS 27 Cb -0.17 -2.94 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2k05 s LYS 27 CO 0.07 -0.28 0.08 0.42 -0.36 0.00 0.00 175.35 175.28 2k05 s ILE 28 N 1.39 4.41 -0.27 5.43 1.01 -1.26 0.50 121.20 132.42 2k05 s ILE 28 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2k05 s ILE 28 Cb -0.15 -3.06 0.07 0.00 0.01 0.00 0.00 42.46 39.33 2k05 s ILE 28 CO -0.05 0.34 -0.07 -0.76 0.00 0.00 0.00 174.94 174.40 2k05 s LEU 29 N 1.53 3.61 -0.60 2.97 1.02 0.32 -5.01 118.68 122.53 2k05 s LEU 29 Ca 0.06 -1.53 -0.26 0.00 0.02 0.00 0.00 54.13 52.42 2k05 s LEU 29 Cb -0.15 -1.52 0.04 0.00 0.02 0.00 0.00 46.19 44.58 2k05 s LEU 29 CO 0.04 -0.24 1.08 0.21 0.02 0.00 0.00 176.35 177.46 2k05 s ASN 30 N 1.10 6.33 0.27 2.29 3.84 -1.26 -2.70 114.94 124.80 2k05 s ASN 30 Ca -0.04 -0.27 -0.09 0.00 0.21 0.00 0.00 52.86 52.67 2k05 s ASN 30 Cb -0.20 -2.49 -0.07 0.00 -0.55 0.00 0.00 41.25 37.94 2k05 s ASN 30 CO -0.06 -1.42 0.58 0.42 -2.79 0.00 0.00 177.10 173.83 2k05 s THR 31 N 4.56 4.93 0.09 -5.21 -4.23 -1.26 -4.99 115.64 109.53 2k05 s THR 31 Ca 0.34 0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 2k05 s THR 31 Cb -0.11 -3.66 -0.23 0.00 1.34 0.00 0.00 72.50 69.84 2k05 s THR 31 CO 0.20 -0.19 1.20 1.55 -0.54 0.00 0.00 174.62 176.84 2k05 h PRO 32 N 2.15 0.59 -0.49 3.99 0.13 -1.91 -3.33 132.00 133.13 2k05 h PRO 32 Ca -0.47 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 63.98 2k05 h PRO 32 Cb 1.18 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2k05 h PRO 32 CO 0.68 1.27 0.00 -1.71 -0.23 0.00 0.00 178.00 178.01 2k05 n ASN 33 N -3.80 3.96 -4.03 1.44 4.05 -1.26 -4.93 115.26 110.69 2k05 n ASN 33 Ca -0.10 -2.38 -0.08 0.00 0.45 0.00 0.00 54.58 52.46 2k05 n ASN 33 Cb 0.90 -0.46 -0.09 0.00 1.23 0.00 0.00 39.78 41.36 2k05 n ASN 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k05 s ALA 35 N -3.94 -0.38 -0.59 0.00 0.00 -1.26 -4.32 121.76 111.27 2k05 s ALA 35 Ca 0.12 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.47 2k05 s ALA 35 Cb 0.07 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2k05 s ALA 35 CO -0.06 -3.89 1.89 0.00 0.00 0.00 0.00 175.76 173.70 2k05 s GLN 37 N 7.05 4.02 -0.11 0.00 0.74 -1.10 -4.68 119.66 125.58 2k05 s GLN 37 Ca 0.70 0.21 0.03 0.00 0.05 0.00 0.00 55.36 56.35 2k05 s GLN 37 Cb -0.13 -3.32 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2k05 s GLN 37 CO 0.22 0.48 -0.22 0.42 -0.55 0.00 0.00 175.29 175.63 2k05 s ILE 38 N -0.31 2.19 -0.12 -2.34 1.01 -1.26 -0.52 121.20 119.85 2k05 s ILE 38 Ca 0.20 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2k05 s ILE 38 Cb -0.14 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2k05 s ILE 38 CO 0.08 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.70 2k05 s VAL 39 N 0.39 2.52 0.08 2.92 1.01 0.18 0.04 120.40 127.54 2k05 s VAL 39 Ca -0.17 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.06 2k05 s VAL 39 Cb -0.18 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2k05 s VAL 39 CO 0.08 0.54 -0.26 0.00 0.00 0.00 0.00 175.10 175.45 2k05 s ALA 40 N 0.41 2.28 -0.16 5.51 0.00 0.15 0.57 121.76 130.52 2k05 s ALA 40 Ca -0.14 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.34 2k05 s ALA 40 Cb -0.17 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2k05 s ALA 40 CO 0.06 0.53 0.30 1.03 0.00 0.00 0.00 175.76 177.69 2k05 s ARG 41 N -1.54 4.26 0.38 0.00 0.52 -1.10 -0.01 118.95 121.46 2k05 s ARG 41 Ca 0.12 0.12 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 2k05 s ARG 41 Cb -0.10 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 2k05 s ARG 41 CO 0.03 0.23 1.18 -0.51 0.02 0.00 0.00 175.30 176.26 2k05 s LEU 42 N 0.48 4.27 0.64 2.53 2.01 -0.14 0.98 118.68 129.46 2k05 s LEU 42 Ca 0.17 2.39 -0.18 0.00 0.01 0.00 0.00 54.13 56.52 2k05 s LEU 42 Cb -0.13 -3.93 -0.01 0.00 0.01 0.00 0.00 46.19 42.13 2k05 s LEU 42 CO 0.04 -0.60 1.24 -0.75 1.01 0.00 0.00 176.35 177.30 2k05 s LYS 43 N -2.13 2.67 0.13 1.70 2.20 0.14 -4.16 119.74 120.29 2k05 s LYS 43 Ca 0.54 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2k05 s LYS 43 Cb -0.32 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 2k05 s LYS 43 CO 0.41 -1.46 0.00 -1.71 -0.36 0.00 0.00 175.35 172.23 2k05 n ASN 44 N -1.90 -3.13 -4.00 1.43 5.15 -1.26 -4.29 115.26 107.25 2k05 n ASN 44 Ca 0.14 0.24 -0.42 0.00 -0.60 0.00 0.00 54.58 53.94 2k05 n ASN 44 Cb 0.49 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 2k05 n ASN 44 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k05 n ASN 45 N -2.36 4.42 -3.25 1.20 4.13 -1.26 -4.86 115.26 113.29 2k05 n ASN 45 Ca 0.00 -2.91 -0.14 0.00 1.68 0.00 0.00 54.58 53.21 2k05 n ASN 45 Cb 0.24 -1.64 -0.02 0.00 -1.54 0.00 0.00 39.78 36.82 2k05 n ASN 45 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2k05 n ASN 46 N 6.22 2.38 -3.53 6.41 5.15 -1.26 -5.14 115.26 125.49 2k05 n ASN 46 Ca 0.48 -1.97 -0.25 0.00 -0.60 0.00 0.00 54.58 52.24 2k05 n ASN 46 Cb 0.40 0.11 0.19 0.00 -0.53 0.00 0.00 39.78 39.95 2k05 n ASN 46 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2k05 n ARG 47 N -0.74 -1.79 -4.37 1.20 1.85 -1.26 -4.66 116.66 106.88 2k05 n ARG 47 Ca -0.07 -1.64 -0.29 0.00 -1.00 0.00 0.00 57.85 54.85 2k05 n ARG 47 Cb 0.29 -1.25 -0.12 0.00 -1.05 0.00 0.00 32.46 30.32 2k05 n ARG 47 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2k05 s GLN 48 N -5.33 1.51 0.15 2.89 -2.07 -1.26 -0.96 119.66 114.59 2k05 s GLN 48 Ca 0.63 -1.34 0.06 0.00 -1.82 0.00 0.00 55.36 52.88 2k05 s GLN 48 Cb -0.03 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.90 2k05 s GLN 48 CO 0.45 0.45 -0.13 0.14 -1.32 0.00 0.00 175.29 174.88 2k05 s VAL 49 N -1.18 1.37 -0.12 3.63 -7.23 0.99 -4.93 120.40 112.92 2k05 s VAL 49 Ca 0.16 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2k05 s VAL 49 Cb -0.10 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2k05 s VAL 49 CO 0.08 -0.57 0.12 0.00 -0.31 0.00 0.00 175.10 174.41 2k05 s ILE 51 N -0.83 3.37 -0.31 0.00 1.01 0.11 0.14 121.20 124.68 2k05 s ILE 51 Ca 0.14 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2k05 s ILE 51 Cb -0.12 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2k05 s ILE 51 CO 0.03 0.11 1.74 -0.62 0.00 0.00 0.00 174.94 176.19 2k05 s ASP 52 N -2.22 6.02 0.00 3.58 -1.08 0.87 -4.09 116.67 119.75 2k05 s ASP 52 Ca 0.21 1.34 0.08 0.00 -0.52 0.00 0.00 52.55 53.66 2k05 s ASP 52 Cb -0.11 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.30 2k05 s ASP 52 CO 0.14 -1.60 1.00 -0.81 0.52 0.00 0.00 175.17 174.42 2k05 n PRO 53 N 8.26 0.61 0.00 4.34 -0.04 -1.26 -2.11 135.00 144.79 2k05 n PRO 53 Ca 0.22 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 2k05 n PRO 53 Cb 0.46 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2k05 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k05 n LYS 54 N -0.71 1.51 -1.72 0.54 5.02 -1.26 -4.58 118.16 116.95 2k05 n LYS 54 Ca 0.06 -0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 55.29 2k05 n LYS 54 Cb 0.03 -1.32 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2k05 n LYS 54 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k05 n LEU 55 N -0.44 3.92 -0.31 -0.35 4.77 -0.90 -4.74 117.00 118.95 2k05 n LEU 55 Ca 0.06 1.21 0.02 0.00 -0.03 0.00 0.00 56.01 57.28 2k05 n LEU 55 Cb 0.35 -1.52 0.16 0.00 -2.33 0.00 0.00 43.42 40.08 2k05 n LEU 55 CO 0.26 -0.30 1.18 0.50 -1.33 0.00 0.00 177.39 177.69 2k05 h LYS 56 N 2.65 0.87 0.00 3.23 1.63 -1.93 0.34 116.57 123.36 2k05 h LYS 56 Ca -0.47 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.21 2k05 h LYS 56 Cb 1.27 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2k05 h LYS 56 CO 0.63 0.58 -0.30 0.11 -3.45 0.00 0.00 179.45 177.01 2k05 h TRP 57 N 0.90 0.00 -0.06 1.91 5.08 -1.98 0.36 115.95 122.15 2k05 h TRP 57 Ca 0.40 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.24 2k05 h TRP 57 Cb 0.29 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.46 2k05 h TRP 57 CO -0.04 0.30 -0.47 0.82 -1.28 0.00 0.00 178.44 177.77 2k05 h ILE 58 N 0.00 1.41 -0.36 0.12 1.08 -1.32 -1.57 117.51 116.87 2k05 h ILE 58 Ca -0.00 -1.88 0.07 0.00 -0.39 0.00 0.00 64.86 62.66 2k05 h ILE 58 Cb 0.66 2.37 -0.07 0.00 -3.07 0.00 0.00 36.82 36.71 2k05 h ILE 58 CO 0.04 0.55 -0.12 1.56 -0.69 0.00 0.00 178.15 179.49 2k05 h GLN 59 N -0.05 -0.04 0.04 2.37 1.08 0.11 0.71 115.11 119.33 2k05 h GLN 59 Ca -0.04 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2k05 h GLN 59 Cb 1.14 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2k05 h GLN 59 CO 0.10 -0.03 -0.06 0.93 -0.95 0.00 0.00 178.83 178.81 2k05 h GLU 60 N -0.05 -0.13 -0.25 1.46 4.39 -0.99 -1.69 114.58 117.33 2k05 h GLU 60 Ca 0.18 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.94 2k05 h GLU 60 Cb 0.31 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 2k05 h GLU 60 CO -0.39 -0.09 -0.06 -0.92 -1.16 0.00 0.00 179.01 176.39 2k05 h TYR 61 N -0.13 -0.13 0.07 4.33 5.03 -0.40 0.12 116.97 125.87 2k05 h TYR 61 Ca 0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2k05 h TYR 61 Cb 0.14 0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.52 2k05 h TYR 61 CO -0.11 -0.10 -0.04 -0.07 -1.32 0.00 0.00 178.16 176.51 2k05 h LEU 62 N 0.00 -0.09 -1.28 2.82 3.38 -0.85 -0.40 115.31 118.90 2k05 h LEU 62 Ca 0.12 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.98 2k05 h LEU 62 Cb 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2k05 h LEU 62 CO -0.26 0.19 0.56 -0.33 0.09 0.00 0.00 178.44 178.69 2k05 h GLU 63 N -0.36 0.73 0.01 1.13 5.08 -0.96 -1.96 114.58 118.25 2k05 h GLU 63 Ca -0.01 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2k05 h GLU 63 Cb 0.31 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2k05 h GLU 63 CO 0.02 0.48 -1.33 1.57 -1.00 0.00 0.00 179.01 178.75 2k05 h LYS 64 N 0.75 0.02 0.00 2.33 5.09 -0.59 -3.27 116.57 120.91 2k05 h LYS 64 Ca 0.41 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 61.11 2k05 h LYS 64 Cb 0.56 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.90 2k05 h LYS 64 CO -0.18 0.81 0.00 0.00 -2.09 0.00 0.00 179.45 177.99 2k05 h LEU 66 N 0.00 0.09 -7.19 0.00 7.12 -1.41 -3.31 115.31 110.61 2k05 h LEU 66 Ca 0.00 0.12 -0.61 0.00 0.13 0.00 0.00 57.88 57.51 2k05 h LEU 66 Cb 0.67 0.14 -0.40 0.00 -0.53 0.00 0.00 40.66 40.54 2k05 h LEU 66 CO 0.00 0.03 -0.73 0.20 -0.13 0.00 0.00 178.44 177.81 2k05 s ASN 67 N -5.30 4.02 0.00 1.25 0.02 -1.22 -5.14 114.94 108.56 2k05 s ASN 67 Ca -0.13 -2.27 0.00 0.00 -1.02 0.00 0.00 52.86 49.44 2k05 s ASN 67 Cb 0.19 -1.14 0.00 0.00 0.02 0.00 0.00 41.25 40.33 2k05 s ASN 67 CO 0.75 -0.33 0.00 0.29 0.02 0.00 0.00 177.10 177.83