#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3c s ASP 2 N 0.00 6.34 0.15 4.39 1.11 -1.26 -3.14 116.67 124.26 1b3c s ASP 2 Ca 0.00 1.97 -0.15 0.00 0.18 0.00 0.00 52.55 54.55 1b3c s ASP 2 Cb 0.00 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.48 1b3c s ASP 2 CO 0.00 -0.78 0.75 0.61 1.18 0.00 0.00 175.17 176.93 1b3c n GLY 3 N -0.13 0.82 2.99 0.21 0.00 -1.01 -4.99 105.19 103.09 1b3c n GLY 3 Ca 0.09 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1b3c n GLY 3 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b3c n TYR 4 N -0.52 3.88 -1.21 1.61 4.01 -1.26 -1.68 117.16 121.98 1b3c n TYR 4 Ca -0.02 -4.08 -0.38 0.00 -0.16 0.00 0.00 57.90 53.26 1b3c n TYR 4 Cb 0.43 -0.99 0.02 0.00 -0.31 0.00 0.00 39.34 38.50 1b3c n TYR 4 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1b3c n LEU 5 N 2.01 -3.50 0.00 7.72 0.00 -1.26 0.21 117.00 122.19 1b3c n LEU 5 Ca 0.23 0.55 0.00 0.00 0.00 0.00 0.00 56.01 56.79 1b3c n LEU 5 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 43.42 42.90 1b3c n LEU 5 CO 0.37 -4.80 0.00 1.33 0.00 0.00 0.00 177.39 174.29 1b3c n VAL 6 N -1.82 0.00 -2.60 1.96 0.24 -1.26 -4.40 118.33 110.45 1b3c n VAL 6 Ca 0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 1b3c n VAL 6 Cb 0.49 -0.69 0.04 0.00 -1.47 0.00 0.00 33.84 32.21 1b3c n VAL 6 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1b3c s GLU 7 N -0.52 2.50 0.15 7.34 2.12 0.68 -4.89 118.70 126.09 1b3c s GLU 7 Ca 0.00 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1b3c s GLU 7 Cb 0.00 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.88 1b3c s GLU 7 CO 0.00 -0.77 1.55 0.87 -0.54 0.00 0.00 175.26 176.37 1b3c h LYS 8 N 0.01 -0.18 -0.29 4.30 1.57 -1.96 0.31 116.57 120.33 1b3c h LYS 8 Ca -0.42 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.33 1b3c h LYS 8 Cb 1.30 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1b3c h LYS 8 CO 0.53 -0.12 -0.00 1.79 -0.57 0.00 0.00 179.45 181.07 1b3c h THR 9 N -0.19 1.18 0.00 -0.16 1.35 -2.01 -3.46 112.91 109.62 1b3c h THR 9 Ca 0.14 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1b3c h THR 9 Cb 0.52 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1b3c h THR 9 CO -0.77 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 175.34 1b3c n GLY 10 N -0.97 1.03 1.99 5.82 0.00 0.11 -4.95 105.19 108.23 1b3c n GLY 10 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c n LYS 12 N -4.07 0.97 -3.01 0.00 2.85 -1.26 0.25 118.16 113.88 1b3c n LYS 12 Ca 0.09 -0.39 -0.04 0.00 -1.05 0.00 0.00 58.31 56.91 1b3c n LYS 12 Cb 0.36 -0.03 -0.01 0.00 -0.65 0.00 0.00 35.03 34.71 1b3c n LYS 12 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1b3c s LYS 13 N -2.33 0.94 0.67 -1.58 -2.85 -1.26 -4.53 119.74 108.79 1b3c s LYS 13 Ca 0.07 -0.80 -0.13 0.00 -1.00 0.00 0.00 55.97 54.11 1b3c s LYS 13 Cb -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 1b3c s LYS 13 CO 0.05 -1.27 1.08 0.99 0.10 0.00 0.00 175.35 176.29 1b3c s THR 14 N 1.24 3.65 -0.02 3.79 2.01 -1.26 -3.49 115.64 121.56 1b3c s THR 14 Ca 0.24 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.91 1b3c s THR 14 Cb -0.02 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1b3c s THR 14 CO -0.06 -0.58 -0.00 0.00 -0.69 0.00 0.00 174.62 173.29 1b3c n TYR 16 N 3.79 0.25 -3.78 0.00 4.02 -1.26 -4.36 117.16 115.83 1b3c n TYR 16 Ca -0.23 -0.12 -0.30 0.00 -0.01 0.00 0.00 57.90 57.25 1b3c n TYR 16 Cb 0.53 -0.02 -0.14 0.00 -0.02 0.00 0.00 39.34 39.69 1b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1b3c s LYS 17 N -1.73 1.07 0.74 -0.72 -0.14 -1.26 -5.08 119.74 112.62 1b3c s LYS 17 Ca 0.11 -1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 53.03 1b3c s LYS 17 Cb 0.06 -2.35 0.19 0.00 -1.68 0.00 0.00 37.83 34.05 1b3c s LYS 17 CO 0.07 -1.04 0.42 1.28 -0.76 0.00 0.00 175.35 175.32 1b3c n LEU 18 N 4.24 0.00 0.00 3.17 4.77 -1.26 -4.67 117.00 123.25 1b3c n LEU 18 Ca 0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1b3c n LEU 18 Cb 0.39 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1b3c n LEU 18 CO 0.18 -2.16 0.00 0.61 -1.33 0.00 0.00 177.39 174.69 1b3c n GLY 19 N -2.70 -3.05 3.57 -0.72 0.00 -1.23 -4.62 105.19 96.44 1b3c n GLY 19 Ca 0.07 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1b3c n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b3c s GLU 20 N -0.94 2.33 -0.83 1.61 -1.05 -1.26 -2.37 118.70 116.20 1b3c s GLU 20 Ca 0.00 -0.58 -0.25 0.00 -0.15 0.00 0.00 54.97 53.99 1b3c s GLU 20 Cb 0.00 -5.10 -0.05 0.00 -0.44 0.00 0.00 34.13 28.54 1b3c s GLU 20 CO 0.00 -3.89 1.98 1.21 0.95 0.00 0.00 175.26 175.52 1b3c s ASN 21 N 7.71 5.04 0.19 0.83 3.84 -1.26 -4.79 114.94 126.50 1b3c s ASN 21 Ca 0.72 -0.41 0.11 0.00 0.21 0.00 0.00 52.86 53.50 1b3c s ASN 21 Cb -0.05 -2.55 0.68 0.00 -0.55 0.00 0.00 41.25 38.78 1b3c s ASN 21 CO 0.07 -2.79 0.78 0.47 -2.79 0.00 0.00 177.10 172.84 1b3c n ASP 22 N 14.23 0.16 -0.05 -4.21 8.00 -1.26 0.23 116.55 133.65 1b3c n ASP 22 Ca 0.37 0.80 -0.14 0.00 0.71 0.00 0.00 54.79 56.52 1b3c n ASP 22 Cb 0.48 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 1b3c n ASP 22 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1b3c h PHE 23 N 0.00 -1.62 -0.32 1.24 3.57 -1.99 0.09 116.94 117.91 1b3c h PHE 23 Ca 0.42 0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.85 1b3c h PHE 23 Cb 1.15 0.74 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 1b3c h PHE 23 CO -0.00 -0.52 -0.34 0.00 -2.23 0.00 0.00 178.31 175.22 1b3c h ASN 25 N 0.57 -1.14 -0.59 0.00 4.21 -0.83 1.14 115.58 118.94 1b3c h ASN 25 Ca 0.05 0.26 -0.09 0.00 1.21 0.00 0.00 56.30 57.73 1b3c h ASN 25 Cb 0.92 0.62 -0.02 0.00 -1.12 0.00 0.00 38.32 38.72 1b3c h ASN 25 CO 0.08 -0.29 0.01 -0.09 -1.29 0.00 0.00 177.43 175.85 1b3c h ARG 26 N -0.06 1.04 -0.64 0.81 9.65 -0.98 0.51 114.38 124.71 1b3c h ARG 26 Ca 0.32 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1b3c h ARG 26 Cb 0.59 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 1b3c h ARG 26 CO -0.84 1.02 0.42 1.49 2.80 0.00 0.00 179.97 184.85 1b3c h GLU 27 N 0.94 0.85 -0.03 0.20 4.22 0.31 -2.54 114.58 118.53 1b3c h GLU 27 Ca 0.17 -0.06 -0.22 0.00 0.08 0.00 0.00 59.36 59.33 1b3c h GLU 27 Cb 0.54 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1b3c h GLU 27 CO 0.03 0.58 -0.88 0.00 -2.18 0.00 0.00 179.01 176.55 1b3c n LYS 29 N -3.79 1.75 -0.16 0.00 4.81 0.17 -4.30 118.16 116.66 1b3c n LYS 29 Ca -0.06 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.21 1b3c n LYS 29 Cb 0.80 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1b3c n TRP 30 N 1.28 -0.65 -3.10 5.64 5.03 -1.15 -4.90 117.44 119.59 1b3c n TRP 30 Ca 0.29 0.00 -0.18 0.00 3.03 0.00 0.00 57.50 60.64 1b3c n TRP 30 Cb 0.63 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.92 1b3c n TRP 30 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1b3c s LYS 31 N 1.43 2.88 -2.01 -0.99 -0.14 -1.26 -4.36 119.74 115.30 1b3c s LYS 31 Ca 0.00 -1.18 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 1b3c s LYS 31 Cb 0.00 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1b3c s LYS 31 CO 0.00 -0.21 0.00 1.58 -0.76 0.00 0.00 175.35 175.96 1b3c n HIS 32 N -1.82 -0.19 0.03 3.18 -0.00 -1.26 -4.74 115.22 110.42 1b3c n HIS 32 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1b3c n HIS 32 Cb 0.59 -3.35 0.00 0.00 -0.12 0.00 0.00 29.99 27.11 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1b3c n ILE 33 N -2.46 0.29 -1.77 3.57 5.41 -1.26 -4.92 119.36 118.21 1b3c n ILE 33 Ca -0.20 0.09 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 1b3c n ILE 33 Cb 0.64 -1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 38.32 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b3c n GLY 34 N 2.67 0.46 3.64 7.39 0.00 -1.26 -4.30 105.19 113.79 1b3c n GLY 34 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1b3c n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b3c s GLY 35 N -2.74 1.65 0.00 -0.02 0.00 -1.26 -4.63 107.32 100.31 1b3c s GLY 35 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1b3c s GLY 35 CO 0.00 0.83 0.00 -1.14 0.00 0.00 0.00 173.10 172.79 1b3c n SER 36 N -4.32 0.95 -3.53 1.64 3.41 0.07 -4.92 113.62 106.92 1b3c n SER 36 Ca 0.09 -0.39 -0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1b3c n SER 36 Cb 0.53 0.96 -0.05 0.00 -0.26 0.00 0.00 64.21 65.39 1b3c n SER 36 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1b3c s TYR 37 N -1.15 -0.59 -0.05 7.33 6.14 -1.15 -4.99 117.35 122.88 1b3c s TYR 37 Ca 0.00 1.11 -0.01 0.00 0.64 0.00 0.00 57.07 58.81 1b3c s TYR 37 Cb 0.00 0.36 0.03 0.00 0.42 0.00 0.00 41.96 42.76 1b3c s TYR 37 CO 0.00 -0.29 0.02 0.20 0.64 0.00 0.00 175.55 176.12 1b3c s GLY 38 N 1.83 0.32 0.14 8.97 0.00 -1.26 0.14 107.32 117.46 1b3c s GLY 38 Ca -0.06 0.06 -0.15 0.00 0.00 0.00 0.00 44.72 44.57 1b3c s GLY 38 CO -0.16 1.07 0.40 -2.52 0.00 0.00 0.00 173.10 171.89 1b3c s TYR 39 N 1.77 -0.11 0.12 1.90 1.13 0.92 -3.94 117.35 119.13 1b3c s TYR 39 Ca 0.01 -0.22 -0.30 0.00 -1.41 0.00 0.00 57.07 55.14 1b3c s TYR 39 Cb -0.13 0.23 -0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1b3c s TYR 39 CO -0.03 -0.73 1.07 0.00 -2.51 0.00 0.00 175.55 173.34 1b3c s TYR 41 N 0.22 0.53 -1.40 0.00 5.04 0.51 -3.52 117.35 118.73 1b3c s TYR 41 Ca 0.51 -0.10 -0.09 0.00 -2.44 0.00 0.00 57.07 54.94 1b3c s TYR 41 Cb -0.27 -0.35 0.02 0.00 0.35 0.00 0.00 41.96 41.71 1b3c s TYR 41 CO 0.32 -0.02 1.11 0.41 -1.34 0.00 0.00 175.55 176.03 1b3c n GLY 42 N 3.00 -0.54 2.53 8.97 0.00 -1.26 -0.80 105.19 117.09 1b3c n GLY 42 Ca -0.14 0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1b3c n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b3c n PHE 43 N -4.93 0.00 -4.24 1.61 3.72 -1.26 -4.96 117.46 107.40 1b3c n PHE 43 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1b3c n PHE 43 Cb 0.56 -2.87 -0.10 0.00 -0.94 0.00 0.00 39.48 36.12 1b3c n PHE 43 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b3c s GLY 44 N -2.75 1.33 0.25 1.37 0.00 0.02 -0.51 107.32 107.03 1b3c s GLY 44 Ca 0.00 -1.65 -0.28 0.00 0.00 0.00 0.00 44.72 42.79 1b3c s GLY 44 CO 0.00 -1.50 0.91 0.00 0.00 0.00 0.00 173.10 172.51 1b3c s TYR 46 N -1.28 -0.04 0.43 0.00 5.04 0.01 -4.32 117.35 117.20 1b3c s TYR 46 Ca 0.42 0.12 0.06 0.00 -2.44 0.00 0.00 57.07 55.23 1b3c s TYR 46 Cb -0.24 -0.00 -0.07 0.00 0.35 0.00 0.00 41.96 42.00 1b3c s TYR 46 CO 0.29 -0.03 0.01 0.00 -1.34 0.00 0.00 175.55 174.48 1b3c s GLU 48 N -3.75 0.27 0.00 0.00 2.02 0.37 -2.39 118.70 115.22 1b3c s GLU 48 Ca 0.29 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1b3c s GLU 48 Cb 0.08 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1b3c s GLU 48 CO 0.15 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1b3c n GLY 49 N 2.82 2.30 2.81 -1.39 0.00 -1.19 -0.75 105.19 109.79 1b3c n GLY 49 Ca -0.13 -0.21 -0.51 0.00 0.00 0.00 0.00 46.02 45.17 1b3c n GLY 49 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1b3c n LEU 50 N 0.00 0.81 0.00 0.99 -0.00 -1.25 -3.89 117.00 113.65 1b3c n LEU 50 Ca 0.00 0.77 -0.24 0.00 -0.00 0.00 0.00 56.01 56.55 1b3c n LEU 50 Cb 0.00 -0.71 0.21 0.00 -0.00 0.00 0.00 43.42 42.92 1b3c n LEU 50 CO 0.00 -0.64 0.43 -0.81 -0.00 0.00 0.00 177.39 176.37 1b3c n PRO 51 N 4.36 -3.08 0.13 1.47 -0.04 -1.26 -4.34 135.00 132.24 1b3c n PRO 51 Ca 0.33 -1.32 0.11 0.00 -0.04 0.00 0.00 63.50 62.58 1b3c n PRO 51 Cb -0.04 -1.34 0.50 0.00 -0.04 0.00 0.00 33.50 32.59 1b3c n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1b3c n ASP 52 N -4.65 0.59 0.18 3.54 9.92 -1.26 -2.41 116.55 122.45 1b3c n ASP 52 Ca 0.12 0.69 0.15 0.00 -0.53 0.00 0.00 54.79 55.22 1b3c n ASP 52 Cb 0.46 -0.80 0.75 0.00 -0.64 0.00 0.00 41.12 40.89 1b3c n ASP 52 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1b3c h SER 53 N 0.00 0.00 -2.92 -2.24 0.87 -1.95 -3.41 113.55 103.89 1b3c h SER 53 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 1b3c h SER 53 Cb 0.23 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1b3c h SER 53 CO 0.00 0.00 -0.51 -0.89 -0.53 0.00 0.00 176.83 174.90 1b3c s THR 54 N -4.86 5.34 0.34 2.23 2.01 -1.01 -5.11 115.64 114.58 1b3c s THR 54 Ca -0.05 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1b3c s THR 54 Cb 0.17 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1b3c s THR 54 CO 0.63 0.14 0.51 -1.10 -0.69 0.00 0.00 174.62 174.10 1b3c s GLN 55 N -2.51 3.28 0.23 4.92 -1.52 -1.26 -4.93 119.66 117.87 1b3c s GLN 55 Ca 0.35 -0.66 0.03 0.00 -1.95 0.00 0.00 55.36 53.13 1b3c s GLN 55 Cb -0.13 -2.74 -0.05 0.00 -0.22 0.00 0.00 33.01 29.87 1b3c s GLN 55 CO 0.28 0.11 0.01 -0.08 -0.25 0.00 0.00 175.29 175.35 1b3c s THR 56 N -2.24 0.97 0.26 -0.19 -1.32 -1.26 -4.01 115.64 107.84 1b3c s THR 56 Ca 0.42 -2.02 -0.06 0.00 -1.21 0.00 0.00 61.69 58.81 1b3c s THR 56 Cb -0.09 -2.36 -0.06 0.00 -1.51 0.00 0.00 72.50 68.48 1b3c s THR 56 CO 0.33 -0.30 0.53 0.86 -2.21 0.00 0.00 174.62 173.83 1b3c s TRP 57 N -3.46 3.46 1.10 9.09 -0.00 0.57 -4.13 118.94 125.57 1b3c s TRP 57 Ca 0.29 0.68 -0.18 0.00 -0.00 0.00 0.00 56.10 56.89 1b3c s TRP 57 Cb 0.06 -2.12 0.25 0.00 -0.00 0.00 0.00 33.47 31.66 1b3c s TRP 57 CO 0.09 0.22 1.20 -1.25 -0.00 0.00 0.00 176.95 177.22 1b3c s PRO 58 N -3.30 -0.47 0.64 5.86 0.04 -1.26 -4.43 135.00 132.09 1b3c s PRO 58 Ca 0.44 -0.23 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 1b3c s PRO 58 Cb -0.11 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1b3c s PRO 58 CO 0.27 -3.18 1.04 -0.51 0.04 0.00 0.00 177.00 174.66 1b3c s LEU 59 N -6.50 3.13 0.00 -3.56 1.02 -1.26 -5.06 118.68 106.44 1b3c s LEU 59 Ca 0.72 1.26 0.00 0.00 0.02 0.00 0.00 54.13 56.14 1b3c s LEU 59 Cb -0.07 -4.20 0.00 0.00 0.02 0.00 0.00 46.19 41.94 1b3c s LEU 59 CO 0.55 -1.04 0.00 -2.65 0.02 0.00 0.00 176.35 173.23 1b3c n PRO 60 N -2.81 1.01 -0.24 1.29 -0.02 -1.26 -4.68 135.00 128.28 1b3c n PRO 60 Ca 0.06 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1b3c n PRO 60 Cb 0.55 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.73 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1b3c h ASN 61 N 0.00 0.00 -3.59 2.55 -0.73 -2.05 -3.33 115.58 108.43 1b3c h ASN 61 Ca 0.00 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.53 1b3c h ASN 61 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.45 1b3c h ASN 61 CO 0.00 0.00 0.19 -0.75 -0.37 0.00 0.00 177.43 176.50 1b3c s LYS 62 N -4.76 3.48 0.82 6.67 2.47 -1.26 -5.05 119.74 122.10 1b3c s LYS 62 Ca -0.04 -0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 54.12 1b3c s LYS 62 Cb 0.20 -3.89 0.08 0.00 -1.46 0.00 0.00 37.83 32.76 1b3c s LYS 62 CO 0.69 -0.92 1.13 0.99 0.16 0.00 0.00 175.35 177.40 1b3c s THR 63 N 2.89 2.57 -2.00 3.43 2.01 -1.25 -4.71 115.64 118.58 1b3c s THR 63 Ca 0.25 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1b3c s THR 63 Cb -0.14 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.41 1b3c s THR 63 CO 0.18 -0.24 0.63 0.00 -0.69 0.00 0.00 174.62 174.50