#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 0.99 0.01 4.39 1.01 -1.26 0.22 116.67 122.03 1b3c s ASP 2 Ca 0.00 -0.17 -0.00 0.00 0.71 0.00 0.00 52.55 53.09 1b3c s ASP 2 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1b3c s ASP 2 CO 0.00 0.09 0.01 0.61 0.21 0.00 0.00 175.17 176.09 1b3c n GLY 3 N 2.82 2.71 3.55 0.21 0.00 -0.90 -4.93 105.19 108.65 1b3c n GLY 3 Ca -0.14 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 1b3c n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b3c s TYR 4 N -6.43 2.09 0.11 1.61 2.02 -1.25 -2.62 117.35 112.89 1b3c s TYR 4 Ca 0.00 -0.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.82 1b3c s TYR 4 Cb -0.00 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1b3c s TYR 4 CO 0.00 0.13 0.16 -0.51 -1.57 0.00 0.00 175.55 173.76 1b3c s LEU 5 N -3.63 4.01 0.00 -1.29 1.43 -1.16 -1.53 118.68 116.51 1b3c s LEU 5 Ca 0.30 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1b3c s LEU 5 Cb 0.07 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1b3c s LEU 5 CO 0.14 0.12 0.01 1.33 0.23 0.00 0.00 176.35 178.18 1b3c n VAL 6 N -0.01 0.00 -4.37 -1.59 0.24 -1.26 -3.21 118.33 108.14 1b3c n VAL 6 Ca -0.07 -0.12 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 1b3c n VAL 6 Cb 0.53 -0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.10 2.02 0.43 7.34 -6.30 0.64 -4.60 118.70 116.12 1b3c s GLU 7 Ca 0.01 -1.67 0.27 0.00 -2.50 0.00 0.00 54.97 51.07 1b3c s GLU 7 Cb -0.00 -1.94 1.36 0.00 0.00 0.00 0.00 34.13 33.55 1b3c s GLU 7 CO 0.00 0.25 1.64 1.57 0.02 0.00 0.00 175.26 178.75 1b3c h LYS 8 N 1.96 0.13 0.08 4.30 2.10 -1.94 0.71 116.57 123.92 1b3c h LYS 8 Ca -0.42 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 57.94 1b3c h LYS 8 Cb 1.25 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1b3c h LYS 8 CO 0.63 0.09 -1.41 1.79 -2.00 0.00 0.00 179.45 178.55 1b3c h THR 9 N 0.14 1.27 0.00 0.07 1.35 -2.00 -3.48 112.91 110.26 1b3c h THR 9 Ca 0.78 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1b3c h THR 9 Cb 2.37 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 71.55 1b3c h THR 9 CO -0.42 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1b3c n GLY 10 N 1.58 1.04 3.26 5.82 0.00 0.25 -4.76 105.19 112.37 1b3c n GLY 10 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.47 0.76 -3.40 0.00 2.85 -1.26 0.24 118.16 112.88 1b3c n LYS 12 Ca 0.07 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.08 1b3c n LYS 12 Cb 0.54 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.82 1b3c n LYS 12 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1b3c s LYS 13 N -0.93 0.67 0.32 -1.58 -0.14 -1.20 -3.95 119.74 112.93 1b3c s LYS 13 Ca 0.00 -1.42 -0.22 0.00 -1.36 0.00 0.00 55.97 52.97 1b3c s LYS 13 Cb 0.00 -1.17 -0.10 0.00 -1.68 0.00 0.00 37.83 34.88 1b3c s LYS 13 CO 0.00 -1.26 0.86 0.99 -0.76 0.00 0.00 175.35 175.18 1b3c s THR 14 N 0.89 4.41 0.38 2.17 2.01 -1.26 -1.47 115.64 122.77 1b3c s THR 14 Ca 0.22 1.48 0.08 0.00 0.31 0.00 0.00 61.69 63.78 1b3c s THR 14 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1b3c s THR 14 CO -0.05 0.00 0.19 0.00 -0.69 0.00 0.00 174.62 174.08 1b3c n TYR 16 N -1.24 1.95 -3.52 0.00 4.01 -1.26 -4.68 117.16 112.41 1b3c n TYR 16 Ca -0.01 -1.63 0.00 0.00 -0.16 0.00 0.00 57.90 56.10 1b3c n TYR 16 Cb 0.63 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.94 1b3c n TYR 16 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1b3c s LYS 17 N -3.23 0.45 0.77 -0.72 2.47 -1.26 -5.16 119.74 113.06 1b3c s LYS 17 Ca 0.50 1.12 -0.11 0.00 -1.56 0.00 0.00 55.97 55.91 1b3c s LYS 17 Cb 0.43 0.67 0.06 0.00 -1.46 0.00 0.00 37.83 37.53 1b3c s LYS 17 CO 0.06 -0.17 1.10 -0.51 0.16 0.00 0.00 175.35 175.98 1b3c s LEU 18 N 2.71 2.68 0.00 5.43 1.43 -1.26 -4.61 118.68 125.06 1b3c s LEU 18 Ca -0.04 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1b3c s LEU 18 Cb -0.09 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1b3c s LEU 18 CO -0.18 -1.81 0.00 0.61 0.23 0.00 0.00 176.35 175.19 1b3c n GLY 19 N -2.30 -1.85 3.54 -3.19 0.00 -1.19 -4.66 105.19 95.55 1b3c n GLY 19 Ca 0.07 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1b3c n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b3c n GLU 20 N -0.01 0.44 -2.63 1.61 1.02 -1.26 -2.57 120.64 117.25 1b3c n GLU 20 Ca 0.00 -1.75 -0.42 0.00 -0.02 0.00 0.00 57.16 54.98 1b3c n GLU 20 Cb 0.00 -3.62 -0.03 0.00 -0.02 0.00 0.00 31.44 27.77 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1b3c s ASN 21 N 7.72 6.42 0.50 1.62 3.84 -1.26 -4.83 114.94 128.95 1b3c s ASN 21 Ca 0.76 -1.28 0.44 0.00 0.21 0.00 0.00 52.86 52.99 1b3c s ASN 21 Cb 0.00 -2.54 1.60 0.00 -0.55 0.00 0.00 41.25 39.77 1b3c s ASN 21 CO 0.20 -1.52 1.50 -0.67 -2.79 0.00 0.00 177.10 173.82 1b3c n ASP 22 N 8.61 0.06 -0.14 -4.21 2.03 -1.26 0.27 116.55 121.90 1b3c n ASP 22 Ca 0.23 1.06 -0.05 0.00 0.52 0.00 0.00 54.79 56.55 1b3c n ASP 22 Cb 0.50 -0.53 0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1b3c n ASP 22 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1b3c h PHE 23 N 0.00 -0.59 -0.04 -0.67 3.57 -1.99 0.94 116.94 118.17 1b3c h PHE 23 Ca 0.89 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 62.37 1b3c h PHE 23 Cb 3.39 0.33 0.00 0.00 2.79 0.00 0.00 35.95 42.46 1b3c h PHE 23 CO -0.00 -0.31 -0.27 0.00 -2.23 0.00 0.00 178.31 175.50 1b3c h ASN 25 N -0.32 -1.08 -0.59 0.00 4.21 -1.11 1.56 115.58 118.26 1b3c h ASN 25 Ca -0.02 0.13 0.08 0.00 1.21 0.00 0.00 56.30 57.70 1b3c h ASN 25 Cb 0.96 0.43 -0.06 0.00 -1.12 0.00 0.00 38.32 38.52 1b3c h ASN 25 CO 0.06 -0.42 0.25 -0.09 -1.29 0.00 0.00 177.43 175.93 1b3c h ARG 26 N -0.53 0.44 -0.13 0.81 2.43 0.82 0.11 114.38 118.33 1b3c h ARG 26 Ca 0.05 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1b3c h ARG 26 Cb 0.60 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1b3c h ARG 26 CO -0.28 0.29 -0.37 1.49 -1.51 0.00 0.00 179.97 179.59 1b3c h GLU 27 N 0.45 0.27 0.11 0.20 4.22 -0.79 -3.10 114.58 115.93 1b3c h GLU 27 Ca 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 1b3c h GLU 27 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1b3c h GLU 27 CO -0.26 0.61 -0.05 0.00 -2.18 0.00 0.00 179.01 177.12 1b3c n LYS 29 N -4.97 0.00 -1.43 0.00 5.02 0.21 -4.51 118.16 112.48 1b3c n LYS 29 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 1b3c n LYS 29 Cb 0.23 -0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.84 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1b3c n TRP 30 N 0.00 -0.75 -2.46 2.13 5.03 -1.18 -0.55 117.44 119.67 1b3c n TRP 30 Ca 0.00 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.44 1b3c n TRP 30 Cb 0.00 -2.05 -0.00 0.00 -1.03 0.00 0.00 31.31 28.23 1b3c n TRP 30 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1b3c n LYS 31 N -1.74 -2.45 0.09 -0.99 4.01 -1.26 -4.84 118.16 110.98 1b3c n LYS 31 Ca -0.09 0.43 -0.03 0.00 -0.51 0.00 0.00 58.31 58.11 1b3c n LYS 31 Cb 0.33 -5.00 -0.02 0.00 -0.51 0.00 0.00 35.03 29.83 1b3c n LYS 31 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1b3c h HIS 32 N -0.00 -0.20 0.00 2.13 -0.00 -1.05 -3.45 115.15 112.57 1b3c h HIS 32 Ca -0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1b3c h HIS 32 Cb 1.16 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1b3c h HIS 32 CO 0.76 -0.13 -0.11 1.51 -0.00 0.00 0.00 177.93 179.96 1b3c n ILE 33 N -2.63 0.00 0.00 6.26 0.13 -1.26 -5.12 119.36 116.74 1b3c n ILE 33 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 1b3c n ILE 33 Cb 0.09 -0.32 0.00 0.00 -0.84 0.00 0.00 39.64 38.57 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1b3c n GLY 34 N 1.70 2.29 3.22 4.50 0.00 -1.26 -5.09 105.19 110.54 1b3c n GLY 34 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 1.27 -0.07 -0.02 0.00 -1.26 -4.57 107.32 102.68 1b3c s GLY 35 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 44.72 43.57 1b3c s GLY 35 CO 0.00 -0.38 0.80 1.48 0.00 0.00 0.00 173.10 175.00 1b3c h SER 36 N 6.55 0.43 -3.81 1.64 4.64 -1.72 -3.47 113.55 117.82 1b3c h SER 36 Ca -0.23 -0.92 -0.17 0.00 -0.47 0.00 0.00 61.79 59.99 1b3c h SER 36 Cb 1.22 -0.14 -0.26 0.00 -0.31 0.00 0.00 62.40 62.91 1b3c h SER 36 CO 0.47 1.44 -0.45 -0.31 -0.87 0.00 0.00 176.83 177.11 1b3c s TYR 37 N -2.43 -0.26 -0.05 4.77 2.02 -1.24 -5.02 117.35 115.14 1b3c s TYR 37 Ca -0.15 0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 57.14 1b3c s TYR 37 Cb 0.02 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.69 1b3c s TYR 37 CO 0.81 -0.12 0.12 0.20 -1.57 0.00 0.00 175.55 174.98 1b3c s GLY 38 N 0.15 -0.05 -0.10 0.71 0.00 -1.26 -0.41 107.32 106.35 1b3c s GLY 38 Ca -0.00 0.45 -0.31 0.00 0.00 0.00 0.00 44.72 44.86 1b3c s GLY 38 CO 0.00 0.57 1.02 -2.52 0.00 0.00 0.00 173.10 172.17 1b3c s TYR 39 N 0.55 -0.27 0.11 1.90 1.13 -0.64 -4.52 117.35 115.60 1b3c s TYR 39 Ca -0.04 0.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.57 1b3c s TYR 39 Cb -0.06 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.25 1b3c s TYR 39 CO -0.02 -0.39 1.10 0.00 -2.51 0.00 0.00 175.55 173.73 1b3c s TYR 41 N 0.35 0.58 0.00 0.00 6.14 -0.69 -3.14 117.35 120.59 1b3c s TYR 41 Ca 0.52 -1.19 0.00 0.00 0.64 0.00 0.00 57.07 57.05 1b3c s TYR 41 Cb -0.28 -0.99 0.00 0.00 0.42 0.00 0.00 41.96 41.11 1b3c s TYR 41 CO 0.32 -0.83 0.00 0.41 0.64 0.00 0.00 175.55 176.08 1b3c n GLY 42 N 4.85 1.07 3.56 8.97 0.00 -1.26 -4.34 105.19 118.05 1b3c n GLY 42 Ca -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.75 -2.09 -3.64 1.61 3.72 -1.26 -4.98 117.46 110.08 1b3c n PHE 43 Ca 0.00 0.90 -0.10 0.00 -0.05 0.00 0.00 57.45 58.20 1b3c n PHE 43 Cb 0.12 -4.76 -0.07 0.00 -0.94 0.00 0.00 39.48 33.83 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 -4.31 -0.35 -0.66 1.37 0.00 -1.26 -3.43 107.32 98.69 1b3c s GLY 44 Ca 0.03 2.45 -0.26 0.00 0.00 0.00 0.00 44.72 46.94 1b3c s GLY 44 CO 0.77 1.96 1.87 0.00 0.00 0.00 0.00 173.10 177.70 1b3c s TYR 46 N 9.20 3.58 -0.01 0.00 5.04 -0.82 -3.00 117.35 131.34 1b3c s TYR 46 Ca 0.67 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 1b3c s TYR 46 Cb -0.12 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.14 1b3c s TYR 46 CO 0.17 0.56 0.01 0.00 -1.34 0.00 0.00 175.55 174.95 1b3c s GLU 48 N 0.58 3.32 -0.12 0.00 2.02 0.45 -2.12 118.70 122.83 1b3c s GLU 48 Ca -0.05 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 1b3c s GLU 48 Cb -0.07 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1b3c s GLU 48 CO -0.02 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1b3c n GLY 49 N -1.61 0.33 3.51 -1.39 0.00 0.61 -2.51 105.19 104.13 1b3c n GLY 49 Ca -0.05 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.44 4.58 0.59 0.99 1.43 -1.16 -4.51 118.68 120.17 1b3c s LEU 50 Ca 0.00 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1b3c s LEU 50 Cb -0.00 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 1b3c s LEU 50 CO 0.00 -0.66 0.76 -2.65 0.23 0.00 0.00 176.35 174.03 1b3c n PRO 51 N 5.95 0.69 0.05 1.29 -0.02 -1.26 -4.62 135.00 137.08 1b3c n PRO 51 Ca -0.04 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 1b3c n PRO 51 Cb 0.48 -1.95 0.27 0.00 -0.02 0.00 0.00 33.50 32.27 1b3c n PRO 51 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b3c n ASP 52 N -0.22 0.21 0.01 2.55 9.92 -1.26 -1.83 116.55 125.92 1b3c n ASP 52 Ca 0.13 0.58 0.04 0.00 -0.53 0.00 0.00 54.79 55.01 1b3c n ASP 52 Cb 0.48 -0.61 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 1b3c n ASP 52 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1b3c n SER 53 N -1.76 0.39 -4.72 -2.24 7.64 -1.26 -4.95 113.62 106.72 1b3c n SER 53 Ca 0.01 0.16 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 1b3c n SER 53 Cb 0.08 1.04 0.13 0.00 -1.01 0.00 0.00 64.21 64.45 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 -3.14 2.65 0.16 0.44 2.01 -0.76 -4.96 115.64 112.04 1b3c s THR 54 Ca -0.06 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1b3c s THR 54 Cb 0.10 -2.47 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1b3c s THR 54 CO 0.85 -0.27 0.99 -1.10 -0.69 0.00 0.00 174.62 174.39 1b3c s GLN 55 N -4.74 4.71 0.02 4.92 -0.21 -1.26 -4.94 119.66 118.17 1b3c s GLN 55 Ca 0.64 1.53 -0.28 0.00 0.02 0.00 0.00 55.36 57.27 1b3c s GLN 55 Cb -0.20 -3.33 0.07 0.00 1.00 0.00 0.00 33.01 30.55 1b3c s GLN 55 CO 0.56 0.26 0.68 0.95 -2.12 0.00 0.00 175.29 175.62 1b3c s THR 56 N -0.38 0.00 0.40 -0.19 -4.23 -1.26 -4.85 115.64 105.13 1b3c s THR 56 Ca 0.46 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1b3c s THR 56 Cb -0.26 -1.00 -0.11 0.00 1.34 0.00 0.00 72.50 72.48 1b3c s THR 56 CO 0.32 0.00 0.94 0.86 -0.54 0.00 0.00 174.62 176.20 1b3c s TRP 57 N -2.21 3.41 1.07 3.99 -0.00 -0.58 -4.00 118.94 120.62 1b3c s TRP 57 Ca -0.05 1.65 -0.18 0.00 -0.00 0.00 0.00 56.10 57.52 1b3c s TRP 57 Cb -0.00 -2.86 0.24 0.00 -0.00 0.00 0.00 33.47 30.85 1b3c s TRP 57 CO 0.00 -0.02 1.24 -1.25 -0.00 0.00 0.00 176.95 176.92 1b3c s PRO 58 N -2.88 -0.22 0.49 5.86 0.04 -1.26 -3.78 135.00 133.25 1b3c s PRO 58 Ca 0.59 -0.31 0.02 0.00 0.04 0.00 0.00 61.00 61.34 1b3c s PRO 58 Cb -0.12 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1b3c s PRO 58 CO 0.16 -3.00 0.71 -0.51 0.04 0.00 0.00 177.00 174.39 1b3c s LEU 59 N -6.35 3.47 0.00 -3.56 1.43 -1.26 -5.07 118.68 107.34 1b3c s LEU 59 Ca 0.73 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1b3c s LEU 59 Cb -0.06 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1b3c s LEU 59 CO 0.54 -0.93 0.00 -2.65 0.23 0.00 0.00 176.35 173.55 1b3c n PRO 60 N -2.17 0.84 -0.36 1.29 -0.02 -1.26 -4.54 135.00 128.78 1b3c n PRO 60 Ca 0.05 0.00 0.37 0.00 -2.02 0.00 0.00 63.50 61.90 1b3c n PRO 60 Cb 0.59 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.77 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 -0.66 0.00 -2.41 2.55 -0.73 -2.05 -3.27 115.58 109.01 1b3c h ASN 61 Ca 0.00 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.55 1b3c h ASN 61 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.46 1b3c h ASN 61 CO 0.00 0.00 0.78 -1.59 -0.37 0.00 0.00 177.43 176.25 1b3c s LYS 62 N -4.76 3.25 0.44 6.67 0.00 -1.26 -5.01 119.74 119.07 1b3c s LYS 62 Ca -0.04 -0.88 0.08 0.00 0.00 0.00 0.00 55.97 55.13 1b3c s LYS 62 Cb 0.21 -4.43 0.01 0.00 0.00 0.00 0.00 37.83 33.62 1b3c s LYS 62 CO 0.72 -1.92 0.54 0.99 0.00 0.00 0.00 175.35 175.68 1b3c s THR 63 N 4.28 2.74 -2.00 3.79 2.01 -1.24 -4.59 115.64 120.64 1b3c s THR 63 Ca 0.29 -1.12 0.28 0.00 0.31 0.00 0.00 61.69 61.45 1b3c s THR 63 Cb -0.12 -2.86 0.78 0.00 0.01 0.00 0.00 72.50 70.32 1b3c s THR 63 CO 0.06 0.00 1.99 0.00 -0.69 0.00 0.00 174.62 175.98