#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k03 s PRO 2 N 0.00 2.27 0.00 -1.58 0.02 -1.26 -2.69 135.00 131.76 2k03 s PRO 2 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.92 2k03 s PRO 2 Cb 0.00 -4.57 0.00 0.00 0.02 0.00 0.00 34.50 29.95 2k03 s PRO 2 CO 0.00 -3.21 0.00 1.55 -0.33 0.00 0.00 177.00 175.01 2k03 n VAL 3 N 7.78 0.00 -3.59 3.83 3.14 -1.26 -5.05 118.33 123.17 2k03 n VAL 3 Ca 0.32 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.30 2k03 n VAL 3 Cb 0.52 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.22 2k03 n VAL 3 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2k03 s SER 4 N 0.00 5.68 -0.37 6.55 0.01 -1.10 -4.88 113.70 119.60 2k03 s SER 4 Ca 0.00 -2.36 -0.00 0.00 1.31 0.00 0.00 55.95 54.90 2k03 s SER 4 Cb 0.00 -1.97 0.18 0.00 0.21 0.00 0.00 66.02 64.44 2k03 s SER 4 CO 0.00 -0.55 0.83 -0.22 0.41 0.00 0.00 173.24 173.71 2k03 s LEU 5 N 0.68 -0.96 0.02 2.44 2.96 -1.26 -4.79 118.68 117.77 2k03 s LEU 5 Ca 0.12 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2k03 s LEU 5 Cb -0.21 1.23 -0.01 0.00 0.50 0.00 0.00 46.19 47.70 2k03 s LEU 5 CO -0.03 -0.10 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.88 2k03 s SER 6 N 1.87 0.83 -1.23 3.68 1.04 -1.26 -5.05 113.70 113.58 2k03 s SER 6 Ca 0.16 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 2k03 s SER 6 Cb -0.00 -0.04 0.19 0.00 0.10 0.00 0.00 66.02 66.27 2k03 s SER 6 CO -0.11 -0.03 1.65 -1.22 0.98 0.00 0.00 173.24 174.51 2k03 n TYR 7 N 2.32 3.62 -4.17 5.02 4.02 -1.26 -4.55 117.16 122.16 2k03 n TYR 7 Ca -0.17 -3.01 -0.10 0.00 -0.01 0.00 0.00 57.90 54.61 2k03 n TYR 7 Cb 0.57 -1.92 -0.10 0.00 -0.02 0.00 0.00 39.34 37.86 2k03 n TYR 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2k03 s ARG 8 N 0.24 0.90 0.28 -0.72 1.81 -1.26 -5.03 118.95 115.16 2k03 s ARG 8 Ca 0.39 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2k03 s ARG 8 Cb 0.04 0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 2k03 s ARG 8 CO 0.01 -0.15 0.46 0.00 -0.68 0.00 0.00 175.30 174.95 2k03 h PRO 10 N 1.32 0.00 -1.98 0.00 0.13 -1.96 -3.40 132.00 126.11 2k03 h PRO 10 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2k03 h PRO 10 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2k03 h PRO 10 CO 0.64 0.13 0.11 0.00 -0.23 0.00 0.00 178.00 178.65 2k03 n ARG 12 N 3.25 0.52 -4.94 0.00 0.63 -1.26 -4.80 116.66 110.06 2k03 n ARG 12 Ca -0.16 -0.02 -0.33 0.00 -0.92 0.00 0.00 57.85 56.43 2k03 n ARG 12 Cb 0.56 -1.66 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 2k03 n ARG 12 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2k03 s PHE 13 N -3.36 2.71 0.08 -0.14 0.08 -1.26 -5.12 117.98 110.96 2k03 s PHE 13 Ca -0.02 -0.75 0.05 0.00 0.12 0.00 0.00 56.93 56.33 2k03 s PHE 13 Cb 0.12 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2k03 s PHE 13 CO 0.83 -0.26 -0.13 -0.59 -0.10 0.00 0.00 175.22 174.98 2k03 s PHE 14 N 0.28 1.13 0.21 0.36 -0.12 -1.26 -4.85 117.98 113.71 2k03 s PHE 14 Ca -0.12 -0.51 -0.00 0.00 -0.05 0.00 0.00 56.93 56.25 2k03 s PHE 14 Cb -0.16 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2k03 s PHE 14 CO 0.06 0.03 0.39 -1.83 -0.05 0.00 0.00 175.22 173.83 2k03 s GLU 15 N -1.98 3.51 0.00 1.99 -1.05 0.50 -4.55 118.70 117.12 2k03 s GLU 15 Ca -0.01 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2k03 s GLU 15 Cb -0.08 -2.84 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 2k03 s GLU 15 CO 0.02 0.40 0.00 -1.13 0.95 0.00 0.00 175.26 175.50 2k03 n SER 16 N -0.73 3.93 -1.80 0.83 3.41 -1.26 -0.40 113.62 117.60 2k03 n SER 16 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.41 2k03 n SER 16 Cb 0.54 0.30 0.06 0.00 -0.26 0.00 0.00 64.21 64.85 2k03 n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k03 n HIS 17 N -1.91 1.54 -3.80 7.33 8.25 -1.26 -4.84 115.22 120.53 2k03 n HIS 17 Ca 0.00 -1.70 -0.35 0.00 -0.26 0.00 0.00 57.72 55.41 2k03 n HIS 17 Cb 0.42 -0.84 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 2k03 n HIS 17 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2k03 s VAL 18 N -2.08 5.36 -0.02 1.59 0.11 -1.26 -5.08 120.40 119.02 2k03 s VAL 18 Ca 0.30 0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 2k03 s VAL 18 Cb 0.24 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.51 2k03 s VAL 18 CO 0.01 0.44 0.46 0.00 -3.33 0.00 0.00 175.10 172.68 2k03 s ALA 19 N -1.22 3.61 0.35 1.54 0.00 -1.26 -4.98 121.76 119.80 2k03 s ALA 19 Ca 0.24 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.13 2k03 s ALA 19 Cb -0.13 -2.52 0.82 0.00 0.00 0.00 0.00 23.12 21.29 2k03 s ALA 19 CO 0.13 0.32 1.85 -0.09 0.00 0.00 0.00 175.76 177.97 2k03 h ARG 20 N 5.29 0.67 0.00 0.00 9.65 -1.98 -1.85 114.38 126.17 2k03 h ARG 20 Ca -0.48 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2k03 h ARG 20 Cb 1.21 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2k03 h ARG 20 CO 0.66 0.45 0.00 0.00 2.80 0.00 0.00 179.97 183.88 2k03 n ALA 21 N -2.42 1.93 0.91 2.80 0.00 -1.26 -2.80 120.51 119.67 2k03 n ALA 21 Ca 0.19 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2k03 n ALA 21 Cb 0.51 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 2k03 n ALA 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k03 n ASN 22 N -1.65 1.92 -4.92 0.00 5.15 -0.70 -4.95 115.26 110.12 2k03 n ASN 22 Ca 0.05 -1.46 -0.29 0.00 -0.60 0.00 0.00 54.58 52.28 2k03 n ASN 22 Cb 0.25 0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.93 2k03 n ASN 22 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2k03 s VAL 23 N -2.28 5.29 -0.18 3.44 -7.23 -1.12 -1.14 120.40 117.17 2k03 s VAL 23 Ca 0.17 -0.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2k03 s VAL 23 Cb 0.16 -3.64 -0.22 0.00 0.56 0.00 0.00 36.38 33.24 2k03 s VAL 23 CO 0.51 0.03 0.10 0.29 -0.31 0.00 0.00 175.10 175.73 2k03 n LYS 24 N -0.08 0.71 -3.38 4.82 5.02 -0.13 -4.79 118.16 120.33 2k03 n LYS 24 Ca -0.06 0.23 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 2k03 n LYS 24 Cb 0.52 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2k03 n LYS 24 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2k03 n HIS 25 N -3.44 -1.54 -4.86 2.13 1.44 -1.26 -5.05 115.22 102.64 2k03 n HIS 25 Ca -0.38 -1.22 -0.32 0.00 -2.01 0.00 0.00 57.72 53.79 2k03 n HIS 25 Cb 1.01 0.60 -0.13 0.00 0.12 0.00 0.00 29.99 31.59 2k03 n HIS 25 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k03 s LEU 26 N 0.00 2.61 -0.11 2.39 1.43 -1.26 -3.57 118.68 120.16 2k03 s LEU 26 Ca 0.17 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2k03 s LEU 26 Cb -0.03 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2k03 s LEU 26 CO 0.06 0.31 -0.03 -0.75 0.23 0.00 0.00 176.35 176.17 2k03 s LYS 27 N -0.97 1.07 -0.19 1.70 2.20 -0.03 -5.00 119.74 118.52 2k03 s LYS 27 Ca 0.12 -0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 2k03 s LYS 27 Cb -0.10 -1.48 -0.04 0.00 -1.51 0.00 0.00 37.83 34.70 2k03 s LYS 27 CO 0.02 -0.35 0.07 0.42 -0.36 0.00 0.00 175.35 175.15 2k03 s ILE 28 N 1.81 4.81 -0.23 5.43 1.01 -1.26 0.77 121.20 133.54 2k03 s ILE 28 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2k03 s ILE 28 Cb -0.13 -3.17 0.05 0.00 0.01 0.00 0.00 42.46 39.22 2k03 s ILE 28 CO -0.07 0.45 -0.10 -0.76 0.00 0.00 0.00 174.94 174.46 2k03 s LEU 29 N 0.44 2.79 -0.39 2.97 2.01 0.01 -4.96 118.68 121.55 2k03 s LEU 29 Ca 0.03 -1.14 -0.05 0.00 0.01 0.00 0.00 54.13 52.98 2k03 s LEU 29 Cb -0.12 -1.35 0.09 0.00 0.01 0.00 0.00 46.19 44.81 2k03 s LEU 29 CO 0.00 -0.18 0.18 0.21 1.01 0.00 0.00 176.35 177.58 2k03 s ASN 30 N 1.28 5.31 0.61 2.29 2.47 -1.26 -3.29 114.94 122.34 2k03 s ASN 30 Ca -0.05 -1.71 -0.08 0.00 0.42 0.00 0.00 52.86 51.44 2k03 s ASN 30 Cb -0.18 -1.86 -0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2k03 s ASN 30 CO -0.07 -0.48 0.96 0.42 -3.72 0.00 0.00 177.10 174.21 2k03 s THR 31 N 1.26 4.05 -0.49 -5.21 -4.23 -1.26 -4.92 115.64 104.83 2k03 s THR 31 Ca 0.04 0.36 -0.38 0.00 -1.18 0.00 0.00 61.69 60.52 2k03 s THR 31 Cb -0.22 -3.62 -0.16 0.00 1.34 0.00 0.00 72.50 69.84 2k03 s THR 31 CO -0.02 -0.72 2.23 -2.65 -0.54 0.00 0.00 174.62 172.92 2k03 n PRO 32 N -2.68 0.50 -3.03 3.99 -0.02 -1.26 -2.85 135.00 129.65 2k03 n PRO 32 Ca 0.05 0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2k03 n PRO 32 Cb 0.56 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 2k03 n PRO 32 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2k03 n ASN 33 N 9.15 -7.47 -3.90 2.55 2.85 -1.26 -4.46 115.26 112.71 2k03 n ASN 33 Ca 0.50 0.25 -0.09 0.00 -0.11 0.00 0.00 54.58 55.13 2k03 n ASN 33 Cb 0.10 -4.72 -0.08 0.00 1.24 0.00 0.00 39.78 36.32 2k03 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k03 n ALA 35 N -0.06 -0.41 0.00 0.00 0.00 -1.26 -4.88 120.51 113.90 2k03 n ALA 35 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k03 n ALA 35 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2k03 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k03 s GLN 37 N -1.12 0.01 -0.19 0.00 1.11 -1.21 -4.61 119.66 113.66 2k03 s GLN 37 Ca 0.00 0.46 -0.08 0.00 0.01 0.00 0.00 55.36 55.75 2k03 s GLN 37 Cb 0.00 -0.31 -0.04 0.00 -1.01 0.00 0.00 33.01 31.65 2k03 s GLN 37 CO 0.00 -0.28 0.08 0.42 0.01 0.00 0.00 175.29 175.52 2k03 s ILE 38 N 1.99 4.92 -0.17 1.08 1.01 -1.16 -0.81 121.20 128.07 2k03 s ILE 38 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 2k03 s ILE 38 Cb -0.12 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2k03 s ILE 38 CO -0.05 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.61 2k03 s VAL 39 N 0.39 3.63 -0.06 2.92 1.01 0.23 0.83 120.40 129.35 2k03 s VAL 39 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2k03 s VAL 39 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2k03 s VAL 39 CO -0.00 0.47 0.01 0.00 0.00 0.00 0.00 175.10 175.58 2k03 s ALA 40 N 0.74 3.33 -0.41 5.51 0.00 0.32 -0.85 121.76 130.39 2k03 s ALA 40 Ca -0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2k03 s ALA 40 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.52 2k03 s ALA 40 CO 0.02 0.61 0.40 0.50 0.00 0.00 0.00 175.76 177.29 2k03 s ARG 41 N -1.12 3.09 0.57 0.00 6.06 -1.23 -1.18 118.95 125.14 2k03 s ARG 41 Ca 0.16 -0.80 -0.19 0.00 -2.50 0.00 0.00 55.73 52.40 2k03 s ARG 41 Cb -0.11 -3.96 -0.04 0.00 0.06 0.00 0.00 34.95 30.89 2k03 s ARG 41 CO 0.05 -0.81 1.14 -0.51 -2.50 0.00 0.00 175.30 172.67 2k03 s LEU 42 N 2.03 3.67 0.00 -0.88 1.43 -0.77 -0.95 118.68 123.20 2k03 s LEU 42 Ca 0.10 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2k03 s LEU 42 Cb -0.17 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.47 2k03 s LEU 42 CO 0.13 -1.37 0.34 0.29 0.23 0.00 0.00 176.35 175.97 2k03 n LYS 43 N -1.55 0.00 -3.18 1.70 5.02 -0.29 -4.59 118.16 115.26 2k03 n LYS 43 Ca 0.12 0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.59 2k03 n LYS 43 Cb 0.51 -0.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.67 2k03 n LYS 43 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k03 s ASN 44 N -2.49 -1.38 0.00 4.39 2.47 -1.26 -4.87 114.94 111.81 2k03 s ASN 44 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.22 2k03 s ASN 44 Cb 0.00 1.91 0.00 0.00 -1.45 0.00 0.00 41.25 41.71 2k03 s ASN 44 CO 0.00 -0.28 0.00 -3.20 -3.72 0.00 0.00 177.10 169.90 2k03 n ASN 45 N 5.23 0.00 -2.09 -4.21 5.15 -1.26 -5.10 115.26 112.98 2k03 n ASN 45 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2k03 n ASN 45 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 2k03 n ASN 45 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k03 n ASN 46 N 0.00 0.00 0.00 1.20 4.13 -1.26 -5.13 115.26 114.20 2k03 n ASN 46 Ca 0.00 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.83 2k03 n ASN 46 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2k03 n ASN 46 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2k03 n ARG 47 N -0.43 0.00 -3.69 3.52 -4.01 -1.26 -4.87 116.66 105.91 2k03 n ARG 47 Ca 0.00 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.45 2k03 n ARG 47 Cb 0.00 0.00 -0.07 0.00 -3.04 0.00 0.00 32.46 29.35 2k03 n ARG 47 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 2k03 s GLN 48 N 1.28 4.10 0.16 2.89 -2.07 -1.26 -1.85 119.66 122.91 2k03 s GLN 48 Ca 0.00 -0.10 0.10 0.00 -1.82 0.00 0.00 55.36 53.54 2k03 s GLN 48 Cb 0.00 -3.39 -0.04 0.00 -1.09 0.00 0.00 33.01 28.49 2k03 s GLN 48 CO 0.00 0.36 -0.18 0.14 -1.32 0.00 0.00 175.29 174.28 2k03 s VAL 49 N 0.17 2.73 -0.15 3.63 -7.23 -0.33 -4.93 120.40 114.29 2k03 s VAL 49 Ca 0.12 -1.76 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 2k03 s VAL 49 Cb -0.12 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2k03 s VAL 49 CO 0.01 -0.04 0.53 0.00 -0.31 0.00 0.00 175.10 175.28 2k03 s ILE 51 N 1.16 4.20 -0.10 0.00 -1.09 0.24 -0.37 121.20 125.24 2k03 s ILE 51 Ca 0.26 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 57.57 2k03 s ILE 51 Cb -0.15 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.72 2k03 s ILE 51 CO 0.11 0.19 1.37 -0.62 -1.23 0.00 0.00 174.94 174.75 2k03 s ASP 52 N -2.13 6.88 0.32 3.58 2.15 0.46 -2.96 116.67 124.98 2k03 s ASP 52 Ca 0.25 1.89 0.23 0.00 0.43 0.00 0.00 52.55 55.35 2k03 s ASP 52 Cb -0.12 -2.54 1.17 0.00 -0.30 0.00 0.00 42.92 41.13 2k03 s ASP 52 CO 0.17 -0.77 1.70 -0.81 -0.17 0.00 0.00 175.17 175.29 2k03 n PRO 53 N 6.38 0.16 -0.10 4.34 -0.04 -1.26 -0.94 135.00 143.54 2k03 n PRO 53 Ca 0.14 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 2k03 n PRO 53 Cb 0.44 -1.96 0.20 0.00 -0.04 0.00 0.00 33.50 32.15 2k03 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k03 n LYS 54 N -2.29 2.33 -1.74 0.54 5.02 -1.26 -4.36 118.16 116.39 2k03 n LYS 54 Ca -0.01 -1.98 -0.40 0.00 -2.02 0.00 0.00 58.31 53.90 2k03 n LYS 54 Cb 0.08 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2k03 n LYS 54 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k03 n LEU 55 N 1.27 4.77 -0.27 -0.35 0.00 -0.12 -4.71 117.00 117.59 2k03 n LEU 55 Ca 0.17 1.12 -0.11 0.00 0.00 0.00 0.00 56.01 57.20 2k03 n LEU 55 Cb 0.57 -1.57 -0.09 0.00 0.00 0.00 0.00 43.42 42.33 2k03 n LEU 55 CO 0.15 -0.28 0.49 0.50 0.00 0.00 0.00 177.39 178.25 2k03 h LYS 56 N 2.28 -0.13 0.00 1.96 3.64 -1.92 0.47 116.57 122.86 2k03 h LYS 56 Ca -0.50 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2k03 h LYS 56 Cb 1.27 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2k03 h LYS 56 CO 0.61 -0.09 -0.17 0.11 -2.27 0.00 0.00 179.45 177.64 2k03 h TRP 57 N -0.14 0.00 -0.12 1.91 5.08 -1.96 -1.46 115.95 119.26 2k03 h TRP 57 Ca 0.11 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.98 2k03 h TRP 57 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 2k03 h TRP 57 CO -0.89 0.17 -0.30 0.82 -1.28 0.00 0.00 178.44 176.96 2k03 h ILE 58 N 0.00 1.38 -0.46 0.12 1.08 -1.44 -1.59 117.51 116.60 2k03 h ILE 58 Ca -0.00 -1.59 0.09 0.00 -0.39 0.00 0.00 64.86 62.97 2k03 h ILE 58 Cb 0.40 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 36.14 2k03 h ILE 58 CO 0.02 0.47 -0.16 1.56 -0.69 0.00 0.00 178.15 179.35 2k03 h GLN 59 N 0.01 -0.06 0.12 2.37 1.08 0.47 0.67 115.11 119.76 2k03 h GLN 59 Ca -0.00 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2k03 h GLN 59 Cb 0.90 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 2k03 h GLN 59 CO 0.06 -0.04 -0.18 0.93 -0.95 0.00 0.00 178.83 178.65 2k03 h GLU 60 N -0.06 -0.35 0.22 1.46 4.39 -1.31 -2.10 114.58 116.84 2k03 h GLU 60 Ca 0.22 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.95 2k03 h GLU 60 Cb 0.40 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2k03 h GLU 60 CO -0.50 -0.23 -0.28 -0.92 -1.16 0.00 0.00 179.01 175.92 2k03 h TYR 61 N -0.36 -0.74 0.24 4.33 5.03 -0.19 -0.93 116.97 124.35 2k03 h TYR 61 Ca 0.02 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2k03 h TYR 61 Cb 0.37 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.95 2k03 h TYR 61 CO -0.18 -0.39 -0.11 -0.07 -1.32 0.00 0.00 178.16 176.09 2k03 h LEU 62 N -0.55 -0.27 -0.84 2.82 3.38 -0.95 -0.63 115.31 118.27 2k03 h LEU 62 Ca 0.00 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2k03 h LEU 62 Cb 0.53 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 2k03 h LEU 62 CO -0.09 -0.10 0.53 -0.33 0.09 0.00 0.00 178.44 178.53 2k03 h GLU 63 N -0.42 0.96 0.05 1.13 4.39 -1.23 0.11 114.58 119.56 2k03 h GLU 63 Ca -0.03 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.38 2k03 h GLU 63 Cb 0.32 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k03 h GLU 63 CO 0.05 0.63 -1.04 1.57 -1.16 0.00 0.00 179.01 179.06 2k03 h LYS 64 N 0.99 0.22 -0.64 2.33 2.10 -1.14 -2.39 116.57 118.04 2k03 h LYS 64 Ca 0.36 -0.30 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2k03 h LYS 64 Cb 0.11 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 2k03 h LYS 64 CO -0.15 1.08 0.40 0.00 -2.00 0.00 0.00 179.45 178.78 2k03 h LEU 66 N 0.87 -0.60 -0.78 0.00 7.12 -0.75 -3.20 115.31 117.96 2k03 h LEU 66 Ca 0.23 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 2k03 h LEU 66 Cb -0.05 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2k03 h LEU 66 CO -0.05 -0.37 0.37 -1.13 -0.13 0.00 0.00 178.44 177.13 2k03 h ASN 67 N -0.58 1.02 -0.00 1.25 -0.73 -1.26 -3.51 115.58 111.76 2k03 h ASN 67 Ca -0.04 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2k03 h ASN 67 Cb 0.49 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.81 2k03 h ASN 67 CO 0.03 0.87 0.00 2.29 -0.37 0.00 0.00 177.43 180.25