#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 4.13 0.23 3.14 1.01 -1.26 0.23 116.67 124.15 1b3c s ASP 2 Ca 0.00 -0.36 -0.14 0.00 0.71 0.00 0.00 52.55 52.76 1b3c s ASP 2 Cb 0.00 -0.77 0.01 0.00 1.01 0.00 0.00 42.92 43.17 1b3c s ASP 2 CO 0.00 0.24 0.49 -0.83 0.21 0.00 0.00 175.17 175.28 1b3c s GLY 3 N -1.65 0.32 -0.44 0.21 0.00 -0.50 -4.99 107.32 100.27 1b3c s GLY 3 Ca 0.17 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1b3c s GLY 3 CO 0.08 -0.51 0.20 -0.19 0.00 0.00 0.00 173.10 172.67 1b3c s TYR 4 N -3.97 3.56 1.05 1.90 2.02 -1.26 -1.71 117.35 118.93 1b3c s TYR 4 Ca 0.17 -2.79 -0.20 0.00 -0.37 0.00 0.00 57.07 53.89 1b3c s TYR 4 Cb -0.01 -3.05 -0.02 0.00 -0.40 0.00 0.00 41.96 38.48 1b3c s TYR 4 CO 0.05 -0.91 -0.42 1.28 -1.57 0.00 0.00 175.55 173.98 1b3c n LEU 5 N 4.07 -2.56 0.00 -1.29 4.77 -1.19 0.19 117.00 120.98 1b3c n LEU 5 Ca 0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1b3c n LEU 5 Cb 0.40 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1b3c n LEU 5 CO 0.29 -3.39 0.00 1.33 -1.33 0.00 0.00 177.39 174.29 1b3c n VAL 6 N -3.81 0.00 -4.06 4.08 0.24 -1.26 -4.28 118.33 109.23 1b3c n VAL 6 Ca 0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.06 1b3c n VAL 6 Cb 0.63 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -0.41 2.27 0.09 7.34 2.12 -0.09 -4.67 118.70 125.36 1b3c s GLU 7 Ca 0.00 -1.88 -0.22 0.00 0.36 0.00 0.00 54.97 53.23 1b3c s GLU 7 Cb 0.00 -2.02 -0.07 0.00 0.26 0.00 0.00 34.13 32.30 1b3c s GLU 7 CO 0.00 -0.23 1.38 0.87 -0.54 0.00 0.00 175.26 176.74 1b3c h LYS 8 N 1.26 -0.22 -0.00 4.30 1.57 -1.96 0.35 116.57 121.87 1b3c h LYS 8 Ca -0.42 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1b3c h LYS 8 Cb 1.27 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1b3c h LYS 8 CO 0.67 -0.15 0.00 1.79 -0.57 0.00 0.00 179.45 181.19 1b3c h THR 9 N -0.23 0.56 0.00 -0.16 1.35 -2.00 -3.45 112.91 108.98 1b3c h THR 9 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1b3c h THR 9 Cb 0.39 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1b3c h THR 9 CO -0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.43 1b3c n GLY 10 N -1.34 3.06 3.61 5.82 0.00 0.12 -4.45 105.19 112.01 1b3c n GLY 10 Ca -0.03 -0.85 -0.47 0.00 0.00 0.00 0.00 46.02 44.67 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 1.83 -1.47 -4.05 0.00 2.85 -1.26 -0.91 118.16 115.15 1b3c n LYS 12 Ca 0.14 -0.70 -0.19 0.00 -1.05 0.00 0.00 58.31 56.51 1b3c n LYS 12 Cb 0.27 -1.35 -0.16 0.00 -0.65 0.00 0.00 35.03 33.15 1b3c n LYS 12 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1b3c s LYS 13 N -3.42 0.63 0.04 -1.58 2.20 -1.26 -4.38 119.74 111.97 1b3c s LYS 13 Ca 0.32 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1b3c s LYS 13 Cb -0.06 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 1b3c s LYS 13 CO 0.27 -0.12 -0.02 0.99 -0.36 0.00 0.00 175.35 176.11 1b3c s THR 14 N 1.03 3.94 0.13 3.43 2.01 -1.26 -3.52 115.64 121.40 1b3c s THR 14 Ca -0.09 -0.83 0.11 0.00 0.31 0.00 0.00 61.69 61.18 1b3c s THR 14 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1b3c s THR 14 CO -0.01 0.26 -0.26 0.00 -0.69 0.00 0.00 174.62 173.93 1b3c n TYR 16 N 0.87 0.00 -2.03 0.00 4.01 -1.26 -4.53 117.16 114.22 1b3c n TYR 16 Ca -0.18 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.18 1b3c n TYR 16 Cb 0.53 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1b3c s LYS 17 N -0.61 2.63 0.69 -0.72 1.02 -1.26 -4.97 119.74 116.53 1b3c s LYS 17 Ca 0.00 0.65 -0.12 0.00 0.02 0.00 0.00 55.97 56.53 1b3c s LYS 17 Cb 0.00 -4.39 0.18 0.00 -0.52 0.00 0.00 37.83 33.10 1b3c s LYS 17 CO 0.00 -2.73 0.52 1.28 -0.92 0.00 0.00 175.35 173.50 1b3c n LEU 18 N 12.78 0.00 0.00 3.17 4.77 -1.26 -4.68 117.00 131.78 1b3c n LEU 18 Ca 0.21 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1b3c n LEU 18 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1b3c n LEU 18 CO 0.71 -1.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.51 1b3c n GLY 19 N -2.04 -1.83 3.44 -0.72 0.00 -0.83 -4.63 105.19 98.57 1b3c n GLY 19 Ca 0.08 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1b3c n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1b3c n GLU 20 N 0.00 0.35 -2.27 1.61 0.28 -1.26 -2.28 120.64 117.07 1b3c n GLU 20 Ca 0.00 -1.29 -0.35 0.00 -0.16 0.00 0.00 57.16 55.36 1b3c n GLU 20 Cb 0.00 -2.79 -0.04 0.00 1.43 0.00 0.00 31.44 30.04 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1b3c s ASN 21 N 6.79 5.71 0.32 -1.84 3.84 -1.26 -4.83 114.94 123.66 1b3c s ASN 21 Ca 0.68 -0.67 0.11 0.00 0.21 0.00 0.00 52.86 53.20 1b3c s ASN 21 Cb 0.12 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 39.28 1b3c s ASN 21 CO 0.28 -2.19 1.48 0.47 -2.79 0.00 0.00 177.10 174.36 1b3c n ASP 22 N 11.60 0.13 0.03 -4.21 9.92 -1.26 0.46 116.55 133.22 1b3c n ASP 22 Ca 0.29 1.58 -0.10 0.00 -0.53 0.00 0.00 54.79 56.02 1b3c n ASP 22 Cb 0.49 -0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 40.26 1b3c n ASP 22 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1b3c h PHE 23 N 0.00 -0.66 -0.11 1.24 3.04 -1.98 1.44 116.94 119.92 1b3c h PHE 23 Ca 0.69 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.65 1b3c h PHE 23 Cb 1.68 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 40.49 1b3c h PHE 23 CO -0.23 -0.33 -0.03 0.00 -2.02 0.00 0.00 178.31 175.70 1b3c h ASN 25 N -0.12 0.12 -0.31 0.00 -0.73 -0.32 0.35 115.58 114.57 1b3c h ASN 25 Ca 0.03 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1b3c h ASN 25 Cb 0.45 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1b3c h ASN 25 CO 0.01 0.10 0.15 -0.09 -0.37 0.00 0.00 177.43 177.23 1b3c h ARG 26 N 0.30 0.44 -0.25 6.67 2.43 0.21 -0.09 114.38 124.09 1b3c h ARG 26 Ca 0.23 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1b3c h ARG 26 Cb 0.26 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1b3c h ARG 26 CO -0.26 0.41 -0.07 1.49 -1.51 0.00 0.00 179.97 180.04 1b3c h GLU 27 N 0.37 0.40 0.00 0.20 4.81 -0.37 0.62 114.58 120.61 1b3c h GLU 27 Ca 0.11 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1b3c h GLU 27 Cb 0.12 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1b3c h GLU 27 CO -0.01 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.75 1b3c n LYS 29 N -1.49 2.90 0.00 0.00 3.00 -0.09 -4.09 118.16 118.39 1b3c n LYS 29 Ca 0.07 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.00 1b3c n LYS 29 Cb 0.33 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.43 1b3c n LYS 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1b3c n TRP 30 N -0.51 -0.26 -5.07 5.64 -0.00 0.20 -4.95 117.44 112.49 1b3c n TRP 30 Ca 0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.21 1b3c n TRP 30 Cb 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.27 1b3c n TRP 30 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1b3c s LYS 31 N 0.00 2.90 0.00 -2.67 1.02 -1.26 -4.86 119.74 114.87 1b3c s LYS 31 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1b3c s LYS 31 Cb 0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1b3c s LYS 31 CO 0.00 0.14 0.00 1.58 -0.92 0.00 0.00 175.35 176.15 1b3c n HIS 32 N 3.63 0.00 0.00 3.18 -0.00 -1.26 -5.04 115.22 115.73 1b3c n HIS 32 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1b3c n HIS 32 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 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 0.00 0.00 0.00 3.57 2.08 -1.26 -5.12 119.36 118.63 1b3c n ILE 33 Ca 0.00 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1b3c n ILE 33 Cb 0.00 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1b3c n GLY 34 N 3.18 0.74 3.63 7.39 0.00 -1.26 -5.07 105.19 113.79 1b3c n GLY 34 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.68 -0.19 -0.02 0.00 -1.26 -4.38 107.32 103.16 1b3c s GLY 35 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 44.72 42.97 1b3c s GLY 35 CO 0.00 -1.65 -0.19 -1.14 0.00 0.00 0.00 173.10 170.12 1b3c n SER 36 N -0.63 1.88 -3.75 1.64 3.41 -1.24 -4.85 113.62 110.09 1b3c n SER 36 Ca -0.08 0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 58.85 1b3c n SER 36 Cb 0.58 -0.84 -0.15 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.51 -0.14 0.29 7.33 5.04 -1.25 -4.97 117.35 121.14 1b3c s TYR 37 Ca -0.26 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.83 1b3c s TYR 37 Cb 0.06 -0.10 -0.06 0.00 0.35 0.00 0.00 41.96 42.21 1b3c s TYR 37 CO 0.40 -0.16 0.05 0.20 -1.34 0.00 0.00 175.55 174.71 1b3c s GLY 38 N 1.15 1.91 -0.02 8.97 0.00 -1.26 -1.48 107.32 116.58 1b3c s GLY 38 Ca -0.09 -1.97 -0.14 0.00 0.00 0.00 0.00 44.72 42.52 1b3c s GLY 38 CO -0.05 -1.74 0.63 1.58 0.00 0.00 0.00 173.10 173.51 1b3c n TYR 39 N -0.59 -0.19 -4.14 1.90 4.11 -0.17 -4.15 117.16 113.93 1b3c n TYR 39 Ca -0.02 -0.32 -0.35 0.00 -0.00 0.00 0.00 57.90 57.22 1b3c n TYR 39 Cb 0.66 0.14 -0.12 0.00 -0.00 0.00 0.00 39.34 40.02 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b3c s TYR 41 N 0.73 1.66 0.00 0.00 5.04 -0.92 -1.97 117.35 121.89 1b3c s TYR 41 Ca 0.00 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 1b3c s TYR 41 Cb -0.14 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.05 1b3c s TYR 41 CO 0.02 -0.16 0.00 0.41 -1.34 0.00 0.00 175.55 174.48 1b3c n GLY 42 N 3.16 1.11 2.67 8.97 0.00 -1.26 -3.59 105.19 116.25 1b3c n GLY 42 Ca -0.18 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.66 0.00 1.61 3.72 -1.26 -4.93 117.46 115.94 1b3c n PHE 43 Ca 0.00 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 1b3c n PHE 43 Cb 0.00 1.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.70 1b3c n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b3c n GLY 44 N 1.07 2.75 3.66 1.37 0.00 -1.24 -3.79 105.19 109.02 1b3c n GLY 44 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1b3c n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c s TYR 46 N 3.91 2.68 0.01 0.00 5.04 0.60 -3.19 117.35 126.41 1b3c s TYR 46 Ca 0.68 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.78 1b3c s TYR 46 Cb -0.30 -1.72 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 1b3c s TYR 46 CO 0.25 -0.12 -0.05 0.00 -1.34 0.00 0.00 175.55 174.29 1b3c s GLU 48 N -1.51 1.05 0.00 0.00 0.41 -0.55 -1.41 118.70 116.69 1b3c s GLU 48 Ca 0.18 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.37 1b3c s GLU 48 Cb -0.11 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1b3c s GLU 48 CO 0.09 -0.95 0.00 0.41 -0.49 0.00 0.00 175.26 174.32 1b3c n GLY 49 N 4.61 0.66 3.87 -1.39 0.00 0.62 -3.92 105.19 109.64 1b3c n GLY 49 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1b3c n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b3c s LEU 50 N 0.00 4.39 1.19 0.99 1.43 -1.11 -3.61 118.68 121.97 1b3c s LEU 50 Ca 0.00 0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1b3c s LEU 50 Cb 0.00 -2.12 0.29 0.00 0.03 0.00 0.00 46.19 44.38 1b3c s LEU 50 CO 0.00 0.40 1.03 -2.16 0.23 0.00 0.00 176.35 175.84 1b3c s PRO 51 N -1.00 -1.10 0.46 1.29 0.04 -1.26 -4.57 135.00 128.86 1b3c s PRO 51 Ca 0.16 0.59 0.25 0.00 0.04 0.00 0.00 61.00 62.04 1b3c s PRO 51 Cb -0.12 -1.55 1.02 0.00 0.04 0.00 0.00 34.50 33.88 1b3c s PRO 51 CO 0.05 -3.78 1.87 -0.44 0.04 0.00 0.00 177.00 174.74 1b3c h ASP 52 N -2.65 0.00 -0.17 6.66 5.19 -1.99 -2.39 116.42 121.06 1b3c h ASP 52 Ca -0.58 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 1b3c h ASP 52 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1b3c h ASP 52 CO 0.48 0.20 0.00 -1.20 -3.12 0.00 0.00 179.24 175.60 1b3c n SER 53 N -3.40 1.03 -4.79 6.45 7.64 -1.26 -4.88 113.62 114.41 1b3c n SER 53 Ca -0.00 -1.90 -0.36 0.00 1.01 0.00 0.00 58.87 57.62 1b3c n SER 53 Cb 0.40 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.43 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b3c s THR 54 N -1.77 4.04 -0.00 0.44 2.01 -0.90 -5.04 115.64 114.41 1b3c s THR 54 Ca 0.17 1.52 -0.10 0.00 0.31 0.00 0.00 61.69 63.60 1b3c s THR 54 Cb 0.09 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1b3c s THR 54 CO 0.13 -0.03 0.32 -1.58 -0.69 0.00 0.00 174.62 172.77 1b3c s GLN 55 N -2.52 3.71 0.08 4.92 2.00 -1.26 -5.01 119.66 121.59 1b3c s GLN 55 Ca 0.56 0.14 -0.16 0.00 -2.00 0.00 0.00 55.36 53.90 1b3c s GLN 55 Cb -0.18 -3.13 0.03 0.00 0.80 0.00 0.00 33.01 30.53 1b3c s GLN 55 CO 0.23 0.67 0.38 -0.08 -0.50 0.00 0.00 175.29 175.98 1b3c s THR 56 N -1.20 0.07 0.35 -0.34 -1.32 -1.26 -4.73 115.64 107.22 1b3c s THR 56 Ca 0.25 -0.59 -0.27 0.00 -1.21 0.00 0.00 61.69 59.87 1b3c s THR 56 Cb -0.14 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.68 1b3c s THR 56 CO 0.13 -0.33 1.19 0.86 -2.21 0.00 0.00 174.62 174.27 1b3c s TRP 57 N -3.19 3.19 0.83 9.09 -0.00 0.52 -3.58 118.94 125.80 1b3c s TRP 57 Ca -0.01 1.55 -0.12 0.00 -0.00 0.00 0.00 56.10 57.53 1b3c s TRP 57 Cb 0.01 -3.44 0.09 0.00 -0.00 0.00 0.00 33.47 30.13 1b3c s TRP 57 CO -0.07 -1.27 1.14 -1.25 -0.00 0.00 0.00 176.95 175.49 1b3c s PRO 58 N -1.96 1.80 0.72 5.86 0.04 -1.26 -4.43 135.00 135.76 1b3c s PRO 58 Ca 0.52 0.31 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1b3c s PRO 58 Cb -0.33 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.41 1b3c s PRO 58 CO 0.43 -1.75 0.99 -0.51 0.04 0.00 0.00 177.00 176.20 1b3c s LEU 59 N -5.75 2.98 0.00 -3.56 1.02 -1.23 -5.08 118.68 107.06 1b3c s LEU 59 Ca 0.62 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.58 1b3c s LEU 59 Cb -0.13 -2.23 0.00 0.00 0.02 0.00 0.00 46.19 43.85 1b3c s LEU 59 CO 0.52 -1.81 0.00 -2.65 0.02 0.00 0.00 176.35 172.42 1b3c n PRO 60 N -2.85 0.12 0.28 1.29 -0.02 -1.26 -4.46 135.00 128.10 1b3c n PRO 60 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1b3c n PRO 60 Cb 0.60 0.00 0.77 0.00 -0.02 0.00 0.00 33.50 34.86 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 -1.02 0.00 -1.71 2.55 -0.73 -2.05 -2.30 115.58 110.33 1b3c h ASN 61 Ca 0.00 0.00 -0.70 0.00 1.87 0.00 0.00 56.30 57.47 1b3c h ASN 61 Cb 0.00 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 38.36 1b3c h ASN 61 CO 0.00 0.00 0.99 0.29 -0.37 0.00 0.00 177.43 178.34 1b3c n LYS 62 N -2.68 3.24 0.00 6.67 4.76 -1.26 -4.97 118.16 123.91 1b3c n LYS 62 Ca -0.02 -3.37 0.00 0.00 -2.87 0.00 0.00 58.31 52.05 1b3c n LYS 62 Cb 0.27 -2.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 1b3c n LYS 62 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1b3c n THR 63 N 0.12 0.00 0.00 -0.18 5.66 -0.87 -4.93 114.28 114.08 1b3c n THR 63 Ca 0.52 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 1b3c n THR 63 Cb 0.32 -1.64 0.00 0.00 -1.55 0.00 0.00 70.33 67.46 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02