#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3a s TYR 3 N 0.00 0.37 0.83 0.54 2.02 -1.26 -5.15 117.35 114.70 1b3a s TYR 3 Ca 0.00 -0.78 -0.12 0.00 -0.37 0.00 0.00 57.07 55.80 1b3a s TYR 3 Cb 0.00 -0.15 0.09 0.00 -0.40 0.00 0.00 41.96 41.50 1b3a s TYR 3 CO 0.00 -0.59 1.10 -1.54 -1.57 0.00 0.00 175.55 172.95 1b3a s SER 4 N -2.93 4.17 0.00 2.29 1.04 -1.26 -4.93 113.70 112.08 1b3a s SER 4 Ca 0.12 1.29 0.11 0.00 0.48 0.00 0.00 55.95 57.96 1b3a s SER 4 Cb 0.05 -2.00 0.42 0.00 0.10 0.00 0.00 66.02 64.59 1b3a s SER 4 CO -0.05 -2.17 1.31 -1.54 0.98 0.00 0.00 173.24 171.76 1b3a n SER 5 N -3.56 1.25 -4.80 7.02 3.41 -1.26 -4.91 113.62 110.77 1b3a n SER 5 Ca 0.07 -1.88 -0.32 0.00 -0.26 0.00 0.00 58.87 56.48 1b3a n SER 5 Cb 0.56 -0.13 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1b3a n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b3a s ASP 6 N -1.18 5.26 0.68 4.04 1.01 -1.26 -5.04 116.67 120.18 1b3a s ASP 6 Ca 0.21 1.76 -0.11 0.00 0.71 0.00 0.00 52.55 55.12 1b3a s ASP 6 Cb 0.11 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.52 1b3a s ASP 6 CO 0.15 -1.53 1.07 0.42 0.21 0.00 0.00 175.17 175.49 1b3a s THR 7 N -2.77 4.00 -0.04 -1.27 -4.23 -1.26 -5.08 115.64 104.98 1b3a s THR 7 Ca 0.61 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1b3a s THR 7 Cb -0.16 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1b3a s THR 7 CO 0.49 -0.85 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.77 1b3a s THR 8 N -3.24 0.64 0.12 3.99 2.01 -1.26 -5.13 115.64 112.77 1b3a s THR 8 Ca 0.57 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1b3a s THR 8 Cb -0.12 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 1b3a s THR 8 CO 0.53 0.24 1.25 -2.16 -0.69 0.00 0.00 174.62 173.79 1b3a s PRO 9 N 0.76 4.42 0.19 4.92 0.04 -1.26 -5.03 135.00 139.04 1b3a s PRO 9 Ca -0.11 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.86 1b3a s PRO 9 Cb -0.14 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1b3a s PRO 9 CO 0.01 -0.25 -0.09 0.00 0.04 0.00 0.00 177.00 176.72 1b3a n PHE 12 N 2.02 0.00 -3.69 0.00 3.72 -1.26 -4.53 117.46 113.72 1b3a n PHE 12 Ca -0.16 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.13 1b3a n PHE 12 Cb 0.52 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 1b3a n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b3a s ALA 13 N -0.14 -0.81 -0.08 4.37 0.00 -1.26 -5.16 121.76 118.68 1b3a s ALA 13 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1b3a s ALA 13 Cb 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1b3a s ALA 13 CO 0.00 -0.66 -0.08 0.71 0.00 0.00 0.00 175.76 175.74 1b3a s TYR 14 N -3.83 2.91 0.31 0.00 2.02 -1.26 -4.64 117.35 112.86 1b3a s TYR 14 Ca 0.05 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.37 1b3a s TYR 14 Cb 0.02 -1.74 -0.11 0.00 -0.40 0.00 0.00 41.96 39.73 1b3a s TYR 14 CO -0.10 0.23 1.54 -1.50 -1.57 0.00 0.00 175.55 174.16 1b3a s ILE 15 N -0.59 2.12 0.15 2.71 2.07 0.11 -4.89 121.20 122.88 1b3a s ILE 15 Ca 0.09 0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.34 1b3a s ILE 15 Cb -0.12 -3.07 -0.06 0.00 0.13 0.00 0.00 42.46 39.35 1b3a s ILE 15 CO 0.02 0.02 1.46 0.00 -1.91 0.00 0.00 174.94 174.53 1b3a h ALA 16 N 4.29 0.56 -3.09 1.50 0.00 -1.98 -3.45 119.26 117.09 1b3a h ALA 16 Ca -0.48 -0.48 -0.65 0.00 0.00 0.00 0.00 54.91 53.30 1b3a h ALA 16 Cb 1.23 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 1b3a h ALA 16 CO 0.74 0.68 -0.79 1.03 0.00 0.00 0.00 179.25 180.91 1b3a s ARG 17 N -4.26 1.67 0.29 0.00 1.81 -1.26 -5.08 118.95 112.12 1b3a s ARG 17 Ca -0.10 -1.47 -0.30 0.00 -1.72 0.00 0.00 55.73 52.14 1b3a s ARG 17 Cb 0.11 -1.92 -0.13 0.00 -0.45 0.00 0.00 34.95 32.56 1b3a s ARG 17 CO 0.88 0.40 1.36 -2.30 -0.68 0.00 0.00 175.30 174.96 1b3a n PRO 18 N 0.15 2.11 -1.83 3.54 -0.02 -1.26 -4.98 135.00 132.71 1b3a n PRO 18 Ca -0.12 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 1b3a n PRO 18 Cb 0.56 -2.37 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 1b3a n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b3a s LEU 19 N -0.43 3.49 0.18 2.45 1.43 -1.26 -4.96 118.68 119.59 1b3a s LEU 19 Ca 0.62 2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 55.58 1b3a s LEU 19 Cb -0.60 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 40.93 1b3a s LEU 19 CO 0.55 -1.68 1.75 -2.84 0.23 0.00 0.00 176.35 174.37 1b3a s PRO 20 N -3.76 4.13 0.42 1.29 0.02 -1.26 -4.87 135.00 130.97 1b3a s PRO 20 Ca 0.71 2.60 0.11 0.00 0.02 0.00 0.00 61.00 64.45 1b3a s PRO 20 Cb -0.25 -3.22 0.96 0.00 0.02 0.00 0.00 34.50 32.01 1b3a s PRO 20 CO 0.38 -0.78 1.99 -0.09 -0.33 0.00 0.00 177.00 178.17 1b3a h ARG 21 N 7.30 0.47 0.00 5.54 9.65 -1.98 -0.73 114.38 134.63 1b3a h ARG 21 Ca -0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1b3a h ARG 21 Cb 1.21 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1b3a h ARG 21 CO 0.95 0.31 0.00 0.00 2.80 0.00 0.00 179.97 184.04 1b3a n ALA 22 N -2.50 1.55 1.37 2.80 0.00 -1.26 -2.13 120.51 120.34 1b3a n ALA 22 Ca 0.09 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1b3a n ALA 22 Cb 0.29 -1.24 0.43 0.00 0.00 0.00 0.00 19.45 18.94 1b3a n ALA 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b3a n HIS 23 N -1.68 0.03 -4.07 0.00 8.25 -0.28 -4.90 115.22 112.56 1b3a n HIS 23 Ca 0.03 -0.02 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1b3a n HIS 23 Cb 0.15 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.16 1b3a n HIS 23 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1b3a s ILE 24 N -1.97 4.47 -0.12 1.59 1.01 -0.91 -0.90 121.20 124.37 1b3a s ILE 24 Ca 0.36 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1b3a s ILE 24 Cb 0.21 -3.01 -0.26 0.00 0.01 0.00 0.00 42.46 39.41 1b3a s ILE 24 CO 0.32 0.45 0.46 0.11 0.00 0.00 0.00 174.94 176.28 1b3a h LYS 25 N 6.96 0.21 -2.66 2.79 1.57 -0.90 -3.48 116.57 121.06 1b3a h LYS 25 Ca -0.35 -0.35 0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1b3a h LYS 25 Cb 1.18 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1b3a h LYS 25 CO 0.66 1.17 0.45 -1.83 -0.57 0.00 0.00 179.45 179.33 1b3a s GLU 26 N -2.48 1.59 0.14 3.15 1.03 -1.18 -5.02 118.70 115.94 1b3a s GLU 26 Ca -0.22 -0.99 0.02 0.00 0.03 0.00 0.00 54.97 53.81 1b3a s GLU 26 Cb 0.05 0.47 -0.04 0.00 -0.80 0.00 0.00 34.13 33.80 1b3a s GLU 26 CO 0.74 -0.74 -0.04 1.52 -1.33 0.00 0.00 175.26 175.41 1b3a s TYR 27 N -2.54 1.11 0.20 4.83 1.13 -1.26 -0.76 117.35 120.06 1b3a s TYR 27 Ca 0.17 -0.94 -0.14 0.00 -1.41 0.00 0.00 57.07 54.76 1b3a s TYR 27 Cb -0.03 -0.63 0.01 0.00 -1.10 0.00 0.00 41.96 40.21 1b3a s TYR 27 CO 0.07 -0.14 0.44 -0.59 -2.51 0.00 0.00 175.55 172.81 1b3a s PHE 28 N -3.59 0.17 -0.04 -3.49 -0.71 -0.43 -4.98 117.98 104.90 1b3a s PHE 28 Ca 0.19 -0.52 -0.07 0.00 -1.04 0.00 0.00 56.93 55.48 1b3a s PHE 28 Cb 0.05 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1b3a s PHE 28 CO 0.00 -0.87 0.23 0.71 -1.34 0.00 0.00 175.22 173.95 1b3a s TYR 29 N -3.94 3.60 0.70 3.49 2.02 -1.26 0.10 117.35 122.05 1b3a s TYR 29 Ca 0.15 0.59 -0.14 0.00 -0.37 0.00 0.00 57.07 57.30 1b3a s TYR 29 Cb 0.00 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1b3a s TYR 29 CO 0.01 0.66 1.12 0.95 -1.57 0.00 0.00 175.55 176.73 1b3a s THR 30 N -1.18 3.09 0.53 -0.71 -4.23 -0.47 -4.92 115.64 107.74 1b3a s THR 30 Ca 0.23 0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 61.00 1b3a s THR 30 Cb -0.13 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.66 1b3a s THR 30 CO 0.12 -0.34 1.13 -0.24 -0.54 0.00 0.00 174.62 174.75 1b3a n SER 31 N -2.70 1.68 0.19 3.99 2.88 -1.26 -4.74 113.62 113.66 1b3a n SER 31 Ca 0.11 0.94 0.14 0.00 -1.33 0.00 0.00 58.87 58.72 1b3a n SER 31 Cb 0.52 -1.46 0.67 0.00 -0.75 0.00 0.00 64.21 63.19 1b3a n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1b3a h GLY 32 N 1.17 0.00 2.00 0.46 0.00 -1.95 -1.33 103.07 103.41 1b3a h GLY 32 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1b3a h GLY 32 CO 0.55 0.00 -0.14 0.50 0.00 0.00 0.00 176.54 177.45 1b3a h LYS 33 N 0.00 0.00 -6.94 4.80 1.57 -1.98 -3.43 116.57 110.59 1b3a h LYS 33 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1b3a h LYS 33 Cb 0.15 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.53 1b3a h LYS 33 CO 0.00 0.14 0.56 0.00 -0.57 0.00 0.00 179.45 179.58 1b3a h SER 35 N 2.69 0.61 -2.95 0.00 0.02 -1.88 -3.42 113.55 108.62 1b3a h SER 35 Ca -0.49 -0.16 -0.65 0.00 -0.84 0.00 0.00 61.79 59.65 1b3a h SER 35 Cb 1.24 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 63.51 1b3a h SER 35 CO 0.63 0.74 -0.51 0.20 -1.14 0.00 0.00 176.83 176.74 1b3a s ASN 36 N -6.72 6.08 0.48 3.07 0.01 -1.26 -5.10 114.94 111.51 1b3a s ASN 36 Ca -0.08 0.32 -0.21 0.00 -0.71 0.00 0.00 52.86 52.18 1b3a s ASN 36 Cb 0.15 -1.97 -0.08 0.00 0.41 0.00 0.00 41.25 39.76 1b3a s ASN 36 CO 0.79 0.33 1.07 -2.16 -1.51 0.00 0.00 177.10 175.62 1b3a s PRO 37 N -0.55 3.76 -0.10 -0.60 0.04 -1.26 -4.73 135.00 131.56 1b3a s PRO 37 Ca 0.12 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 1b3a s PRO 37 Cb -0.12 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1b3a s PRO 37 CO 0.02 -0.48 0.81 0.00 0.04 0.00 0.00 177.00 177.39 1b3a s ALA 38 N -1.86 -1.84 -0.06 8.56 0.00 -1.26 -4.78 121.76 120.52 1b3a s ALA 38 Ca 0.67 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.92 1b3a s ALA 38 Cb -0.19 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1b3a s ALA 38 CO 0.23 -0.34 0.37 0.08 0.00 0.00 0.00 175.76 176.10 1b3a s VAL 39 N -1.15 5.16 -0.19 0.00 1.01 -0.76 -1.37 120.40 123.11 1b3a s VAL 39 Ca -0.07 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1b3a s VAL 39 Cb -0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1b3a s VAL 39 CO 0.06 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.90 1b3a s VAL 40 N -0.48 3.18 -0.18 2.92 1.01 0.11 -0.42 120.40 126.54 1b3a s VAL 40 Ca 0.22 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 1b3a s VAL 40 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1b3a s VAL 40 CO 0.10 0.47 0.33 -0.36 0.00 0.00 0.00 175.10 175.64 1b3a s PHE 41 N 1.10 3.43 -0.27 5.22 0.08 0.26 -1.32 117.98 126.49 1b3a s PHE 41 Ca 0.01 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 57.54 1b3a s PHE 41 Cb -0.15 -2.41 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 1b3a s PHE 41 CO -0.02 0.14 0.22 0.08 -0.10 0.00 0.00 175.22 175.54 1b3a s VAL 42 N 0.80 5.30 0.74 -0.44 1.01 0.06 -1.26 120.40 126.60 1b3a s VAL 42 Ca 0.17 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 1b3a s VAL 42 Cb -0.14 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.83 1b3a s VAL 42 CO 0.06 0.26 1.02 0.42 0.00 0.00 0.00 175.10 176.85 1b3a s THR 43 N 1.63 2.05 0.27 3.92 -4.23 -0.62 -0.28 115.64 118.37 1b3a s THR 43 Ca 0.09 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1b3a s THR 43 Cb -0.15 -2.44 0.25 0.00 1.34 0.00 0.00 72.50 71.50 1b3a s THR 43 CO 0.09 0.00 1.78 0.03 -0.54 0.00 0.00 174.62 175.98 1b3a h ARG 44 N -0.59 0.67 -0.64 3.99 3.08 -1.37 -0.08 114.38 119.43 1b3a h ARG 44 Ca -0.35 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1b3a h ARG 44 Cb 1.26 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1b3a h ARG 44 CO 0.38 0.44 0.00 1.63 -1.07 0.00 0.00 179.97 181.35 1b3a n LYS 45 N -4.82 2.58 -2.17 0.04 5.02 -1.26 -4.90 118.16 112.65 1b3a n LYS 45 Ca 0.17 -1.50 -0.17 0.00 -2.02 0.00 0.00 58.31 54.79 1b3a n LYS 45 Cb 0.42 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1b3a n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1b3a n ASN 46 N 0.41 -4.99 -4.77 4.39 3.02 -0.04 -5.00 115.26 108.29 1b3a n ASN 46 Ca 0.13 0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 1b3a n ASN 46 Cb 0.58 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.65 1b3a n ASN 46 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1b3a s ARG 47 N -4.58 4.27 -0.56 3.52 0.52 -1.26 -4.77 118.95 116.09 1b3a s ARG 47 Ca 0.00 1.74 -0.06 0.00 -0.52 0.00 0.00 55.73 56.89 1b3a s ARG 47 Cb 0.00 -2.80 0.14 0.00 0.52 0.00 0.00 34.95 32.81 1b3a s ARG 47 CO 0.00 -0.10 0.40 -0.65 0.02 0.00 0.00 175.30 174.97 1b3a s GLN 48 N -2.09 2.56 -0.24 3.54 -0.21 -1.26 -1.59 119.66 120.37 1b3a s GLN 48 Ca 0.53 -2.12 -0.12 0.00 0.02 0.00 0.00 55.36 53.67 1b3a s GLN 48 Cb -0.29 -3.86 -0.05 0.00 1.00 0.00 0.00 33.01 29.82 1b3a s GLN 48 CO 0.37 -1.18 0.21 0.08 -2.12 0.00 0.00 175.29 172.65 1b3a s VAL 49 N 0.69 5.32 0.25 1.09 1.01 -0.39 -4.91 120.40 123.45 1b3a s VAL 49 Ca 0.11 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1b3a s VAL 49 Cb -0.22 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1b3a s VAL 49 CO -0.03 0.30 0.90 0.00 0.00 0.00 0.00 175.10 176.27 1b3a s ALA 51 N -1.29 -0.33 -0.23 0.00 0.00 0.44 -0.71 121.76 119.64 1b3a s ALA 51 Ca 0.42 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1b3a s ALA 51 Cb -0.23 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1b3a s ALA 51 CO 0.29 -0.28 1.20 1.21 0.00 0.00 0.00 175.76 178.18 1b3a s ASN 52 N -1.74 6.91 0.66 0.00 3.84 -1.26 -1.82 114.94 121.53 1b3a s ASN 52 Ca -0.10 1.43 0.38 0.00 0.21 0.00 0.00 52.86 54.78 1b3a s ASN 52 Cb -0.04 -2.54 2.10 0.00 -0.55 0.00 0.00 41.25 40.22 1b3a s ASN 52 CO -0.01 -0.83 2.21 -0.65 -2.79 0.00 0.00 177.10 175.02 1b3a h PRO 53 N 8.29 0.00 -0.01 0.43 0.11 -1.92 -2.30 132.00 136.61 1b3a h PRO 53 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1b3a h PRO 53 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1b3a h PRO 53 CO 1.00 0.00 -0.57 0.39 -0.21 0.00 0.00 178.00 178.60 1b3a n GLU 54 N -3.12 0.50 -2.47 1.05 1.02 -1.26 -4.55 120.64 111.81 1b3a n GLU 54 Ca -0.02 -0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 56.35 1b3a n GLU 54 Cb 0.19 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1b3a n GLU 54 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1b3a s LYS 55 N -2.75 4.63 0.18 3.49 1.02 -0.87 -4.95 119.74 120.49 1b3a s LYS 55 Ca 0.15 1.81 -0.13 0.00 0.02 0.00 0.00 55.97 57.82 1b3a s LYS 55 Cb 0.18 -3.19 0.09 0.00 -0.52 0.00 0.00 37.83 34.38 1b3a s LYS 55 CO 0.67 0.19 1.85 -0.22 -0.92 0.00 0.00 175.35 176.92 1b3a h LYS 56 N 3.94 0.78 -0.21 1.68 3.64 -1.90 -1.93 116.57 122.56 1b3a h LYS 56 Ca -0.47 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1b3a h LYS 56 Cb 1.21 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1b3a h LYS 56 CO 0.67 0.51 -0.03 0.11 -2.27 0.00 0.00 179.45 178.45 1b3a h TRP 57 N 0.80 0.32 -0.21 1.91 5.08 -1.95 -0.10 115.95 121.80 1b3a h TRP 57 Ca 0.22 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 60.13 1b3a h TRP 57 Cb -0.09 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 25.96 1b3a h TRP 57 CO -0.03 0.35 0.02 0.28 -1.28 0.00 0.00 178.44 177.78 1b3a h VAL 58 N 0.31 1.24 -0.85 0.12 2.07 -1.66 -0.09 116.25 117.38 1b3a h VAL 58 Ca 0.07 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1b3a h VAL 58 Cb 0.26 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1b3a h VAL 58 CO 0.01 0.25 0.55 0.03 0.02 0.00 0.00 177.57 178.43 1b3a h ARG 59 N 0.13 1.03 -0.51 1.57 3.08 -1.05 -0.97 114.38 117.66 1b3a h ARG 59 Ca 0.06 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1b3a h ARG 59 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1b3a h ARG 59 CO 0.01 0.68 0.25 0.93 -1.07 0.00 0.00 179.97 180.77 1b3a h GLU 60 N 1.06 0.74 -0.51 0.04 5.08 -0.81 0.17 114.58 120.36 1b3a h GLU 60 Ca 0.34 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1b3a h GLU 60 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1b3a h GLU 60 CO -0.12 0.62 -0.17 1.88 -1.00 0.00 0.00 179.01 180.21 1b3a h TYR 61 N 0.69 1.14 -0.52 4.33 -1.99 -0.69 -0.60 116.97 119.34 1b3a h TYR 61 Ca 0.18 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1b3a h TYR 61 Cb 0.12 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1b3a h TYR 61 CO -0.01 1.08 0.30 0.82 -0.00 0.00 0.00 178.16 180.36 1b3a h ILE 62 N 0.88 1.16 -0.46 -2.88 2.04 -0.94 -0.76 117.51 116.55 1b3a h ILE 62 Ca 0.12 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.66 1b3a h ILE 62 Cb 0.75 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1b3a h ILE 62 CO 0.06 0.17 0.13 0.78 0.00 0.00 0.00 178.15 179.29 1b3a h ASN 63 N 0.69 0.08 -0.88 1.72 2.35 -0.33 0.10 115.58 119.31 1b3a h ASN 63 Ca 0.18 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1b3a h ASN 63 Cb 0.01 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1b3a h ASN 63 CO -0.03 0.08 0.56 0.77 -1.65 0.00 0.00 177.43 177.15 1b3a h SER 64 N 0.28 1.03 0.66 5.81 4.64 -0.74 -1.28 113.55 123.96 1b3a h SER 64 Ca 0.22 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1b3a h SER 64 Cb 0.26 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1b3a h SER 64 CO -0.26 0.77 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.83 1b3a h LEU 65 N 1.20 0.00 -0.75 5.97 3.38 -0.33 -2.52 115.31 122.26 1b3a h LEU 65 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1b3a h LEU 65 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1b3a h LEU 65 CO -0.06 0.58 -0.52 -0.33 0.09 0.00 0.00 178.44 178.19 1b3a h GLU 66 N 0.00 0.00 0.00 1.13 4.39 -0.55 -3.26 114.58 116.28 1b3a h GLU 66 Ca -0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1b3a h GLU 66 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1b3a h GLU 66 CO 0.07 0.52 -0.66 0.52 -1.16 0.00 0.00 179.01 178.31 1b3a h MET 67 N 0.00 0.00 0.00 2.33 2.86 -0.84 -3.51 114.93 115.77 1b3a h MET 67 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1b3a h MET 67 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1b3a h MET 67 CO 0.07 0.23 0.00 0.43 1.06 0.00 0.00 176.91 178.70