#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3c n ASP 2 N 0.00 2.23 -3.71 3.14 8.00 -1.26 -3.86 116.55 121.09 1b3c n ASP 2 Ca 0.00 -2.44 -0.07 0.00 0.71 0.00 0.00 54.79 52.99 1b3c n ASP 2 Cb 0.00 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1b3c n ASP 2 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b3c s GLY 3 N -3.78 -0.27 -0.29 0.44 0.00 -0.80 -4.99 107.32 97.62 1b3c s GLY 3 Ca 0.30 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.15 1b3c s GLY 3 CO 0.19 0.04 -0.00 -0.19 0.00 0.00 0.00 173.10 173.14 1b3c s TYR 4 N -3.56 3.23 0.43 1.90 2.02 -1.23 -0.74 117.35 119.39 1b3c s TYR 4 Ca 0.09 -1.77 -0.21 0.00 -0.37 0.00 0.00 57.07 54.81 1b3c s TYR 4 Cb -0.03 -2.11 -0.14 0.00 -0.40 0.00 0.00 41.96 39.28 1b3c s TYR 4 CO 0.00 -0.78 0.28 1.28 -1.57 0.00 0.00 175.55 174.76 1b3c n LEU 5 N 4.65 -1.58 0.00 -1.29 4.77 -1.13 0.13 117.00 122.55 1b3c n LEU 5 Ca -0.14 0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 56.66 1b3c n LEU 5 Cb 0.44 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1b3c n LEU 5 CO 0.27 -3.65 0.02 1.33 -1.33 0.00 0.00 177.39 174.02 1b3c n VAL 6 N -1.03 0.00 -4.41 4.08 0.24 -1.26 -3.68 118.33 112.27 1b3c n VAL 6 Ca 0.11 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 1b3c n VAL 6 Cb 0.41 -0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.21 1.65 0.18 7.34 2.12 0.29 -4.61 118.70 123.47 1b3c s GLU 7 Ca 0.04 -1.94 -0.25 0.00 0.36 0.00 0.00 54.97 53.18 1b3c s GLU 7 Cb -0.00 -0.49 0.06 0.00 0.26 0.00 0.00 34.13 33.96 1b3c s GLU 7 CO 0.03 -0.34 1.56 0.87 -0.54 0.00 0.00 175.26 176.83 1b3c h LYS 8 N 2.12 -0.14 0.00 4.30 1.79 -1.95 1.33 116.57 124.02 1b3c h LYS 8 Ca -0.37 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1b3c h LYS 8 Cb 1.25 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1b3c h LYS 8 CO 0.60 -0.09 0.00 1.79 -1.08 0.00 0.00 179.45 180.67 1b3c h THR 9 N -0.15 0.00 0.00 -0.16 1.35 -1.99 -3.45 112.91 108.52 1b3c h THR 9 Ca 0.21 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1b3c h THR 9 Cb 0.55 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1b3c h THR 9 CO -0.79 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.09 1b3c n GLY 10 N -0.51 1.29 3.18 5.82 0.00 0.46 -4.72 105.19 110.71 1b3c n GLY 10 Ca -0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.91 -0.34 -4.36 0.00 5.02 -1.26 0.11 118.16 115.42 1b3c n LYS 12 Ca 0.02 -0.33 -0.26 0.00 -2.02 0.00 0.00 58.31 55.72 1b3c n LYS 12 Cb 0.55 -0.23 -0.13 0.00 -0.02 0.00 0.00 35.03 35.20 1b3c n LYS 12 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1b3c s LYS 13 N -3.46 1.31 0.10 1.97 2.20 -1.24 -4.39 119.74 116.22 1b3c s LYS 13 Ca 0.12 -1.31 0.06 0.00 -0.36 0.00 0.00 55.97 54.48 1b3c s LYS 13 Cb -0.00 -1.68 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1b3c s LYS 13 CO 0.09 0.39 -0.06 0.99 -0.36 0.00 0.00 175.35 176.39 1b3c s THR 14 N -1.25 3.63 -0.12 3.43 2.01 -1.26 -3.46 115.64 118.63 1b3c s THR 14 Ca 0.12 -1.15 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1b3c s THR 14 Cb -0.09 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.76 1b3c s THR 14 CO 0.06 0.12 0.25 0.00 -0.69 0.00 0.00 174.62 174.35 1b3c h TYR 16 N 7.90 0.76 -2.14 0.00 0.05 -2.00 -3.38 116.97 118.16 1b3c h TYR 16 Ca -0.24 -0.32 -0.51 0.00 0.05 0.00 0.00 58.73 57.71 1b3c h TYR 16 Cb 1.13 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.70 1b3c h TYR 16 CO 0.37 1.09 1.29 0.15 -1.05 0.00 0.00 178.16 180.02 1b3c s LYS 17 N -3.79 2.80 0.25 4.88 -0.14 -1.26 -4.97 119.74 117.51 1b3c s LYS 17 Ca -0.12 0.53 -0.28 0.00 -1.36 0.00 0.00 55.97 54.74 1b3c s LYS 17 Cb 0.06 -4.33 -0.09 0.00 -1.68 0.00 0.00 37.83 31.80 1b3c s LYS 17 CO 0.83 -2.54 0.91 -0.51 -0.76 0.00 0.00 175.35 173.29 1b3c s LEU 18 N 8.25 4.55 0.00 3.17 1.43 -1.26 -4.52 118.68 130.29 1b3c s LEU 18 Ca 0.62 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1b3c s LEU 18 Cb -0.12 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1b3c s LEU 18 CO 0.21 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1b3c n GLY 19 N 1.22 -1.19 3.49 -3.19 0.00 -0.83 -4.83 105.19 99.85 1b3c n GLY 19 Ca -0.01 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 0.26 -3.17 1.61 -0.58 -1.26 -3.14 120.64 114.35 1b3c n GLU 20 Ca 0.00 -0.61 -0.46 0.00 -0.42 0.00 0.00 57.16 55.68 1b3c n GLU 20 Cb 0.00 -2.58 -0.03 0.00 -0.57 0.00 0.00 31.44 28.25 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1b3c s ASN 21 N 5.93 6.51 0.12 1.62 3.84 -1.26 -4.94 114.94 126.76 1b3c s ASN 21 Ca 0.95 -2.09 -0.16 0.00 0.21 0.00 0.00 52.86 51.76 1b3c s ASN 21 Cb -0.34 -2.28 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1b3c s ASN 21 CO 0.25 -0.87 1.00 -0.67 -2.79 0.00 0.00 177.10 174.01 1b3c n ASP 22 N 5.36 -0.56 0.18 -4.21 2.03 -1.26 0.27 116.55 118.35 1b3c n ASP 22 Ca 0.06 1.14 -0.14 0.00 0.52 0.00 0.00 54.79 56.37 1b3c n ASP 22 Cb 0.45 -0.20 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.87 -0.22 -0.67 3.57 -1.99 0.30 116.94 117.06 1b3c h PHE 23 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1b3c h PHE 23 Cb 0.32 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1b3c h PHE 23 CO -0.62 -0.45 -0.02 0.00 -2.23 0.00 0.00 178.31 175.00 1b3c h ASN 25 N 0.32 -0.87 -0.88 0.00 -1.24 0.48 -2.76 115.58 110.62 1b3c h ASN 25 Ca 0.07 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.18 1b3c h ASN 25 Cb 0.24 0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.46 1b3c h ASN 25 CO 0.01 -0.52 0.57 -0.09 -1.29 0.00 0.00 177.43 176.11 1b3c h ARG 26 N -1.21 0.89 -0.31 6.67 2.43 -0.32 -0.71 114.38 121.81 1b3c h ARG 26 Ca -0.11 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1b3c h ARG 26 Cb 0.80 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 1b3c h ARG 26 CO 0.17 0.59 -0.48 0.93 -1.51 0.00 0.00 179.97 179.68 1b3c h GLU 27 N 0.92 -0.40 0.00 0.20 4.39 -0.91 0.25 114.58 119.03 1b3c h GLU 27 Ca 0.40 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1b3c h GLU 27 Cb 0.33 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1b3c h GLU 27 CO -0.16 -0.27 0.00 0.00 -1.16 0.00 0.00 179.01 177.42 1b3c n LYS 29 N -1.57 1.79 -1.59 0.00 0.00 0.84 -3.56 118.16 114.06 1b3c n LYS 29 Ca 0.06 -1.13 -0.54 0.00 0.00 0.00 0.00 58.31 56.71 1b3c n LYS 29 Cb 0.30 -1.28 -0.06 0.00 0.00 0.00 0.00 35.03 33.98 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1b3c n TRP 30 N 0.39 1.45 0.03 5.64 5.03 -0.90 -4.61 117.44 124.48 1b3c n TRP 30 Ca 0.10 0.69 0.20 0.00 3.03 0.00 0.00 57.50 61.53 1b3c n TRP 30 Cb 0.29 -2.31 0.71 0.00 -1.03 0.00 0.00 31.31 28.97 1b3c n TRP 30 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 1b3c h LYS 31 N 4.59 0.00 0.00 -0.99 1.79 -1.91 0.80 116.57 120.84 1b3c h LYS 31 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1b3c h LYS 31 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1b3c h LYS 31 CO 0.78 0.00 0.00 0.45 -1.08 0.00 0.00 179.45 179.60 1b3c h HIS 32 N 0.00 0.00 0.00 -1.35 3.86 -1.98 -2.97 115.15 112.71 1b3c h HIS 32 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1b3c h HIS 32 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1b3c h HIS 32 CO 0.00 0.00 -1.12 -0.89 0.86 0.00 0.00 177.93 176.78 1b3c n ILE 33 N -2.45 0.00 -4.32 2.45 -0.00 0.24 -4.84 119.36 110.44 1b3c n ILE 33 Ca 0.03 -0.25 -0.38 0.00 -0.00 0.00 0.00 62.75 62.14 1b3c n ILE 33 Cb 0.32 0.57 -0.06 0.00 -0.00 0.00 0.00 39.64 40.48 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 1.55 -0.42 3.75 7.39 0.00 0.72 -4.39 105.19 113.79 1b3c n GLY 34 Ca -0.00 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.19 2.44 -0.03 -0.02 0.00 -1.23 -4.65 107.32 100.64 1b3c s GLY 35 Ca 0.76 1.30 -0.23 0.00 0.00 0.00 0.00 44.72 46.55 1b3c s GLY 35 CO 0.94 2.21 1.04 1.48 0.00 0.00 0.00 173.10 178.76 1b3c h SER 36 N 4.82 -0.22 -3.62 1.64 4.64 -1.51 -3.44 113.55 115.85 1b3c h SER 36 Ca -0.46 -0.31 -0.26 0.00 -0.47 0.00 0.00 61.79 60.29 1b3c h SER 36 Cb 1.22 0.06 -0.31 0.00 -0.31 0.00 0.00 62.40 63.06 1b3c h SER 36 CO 0.76 0.26 -0.72 -0.31 -0.87 0.00 0.00 176.83 175.95 1b3c s TYR 37 N -3.93 0.01 0.13 4.77 2.02 -1.09 -5.03 117.35 114.23 1b3c s TYR 37 Ca -0.13 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 1b3c s TYR 37 Cb 0.01 -0.12 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1b3c s TYR 37 CO 0.52 -0.05 0.45 0.20 -1.57 0.00 0.00 175.55 175.10 1b3c s GLY 38 N 0.56 -0.35 0.00 0.71 0.00 -1.26 -0.67 107.32 106.30 1b3c s GLY 38 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1b3c s GLY 38 CO -0.02 -0.18 0.00 1.58 0.00 0.00 0.00 173.10 174.48 1b3c n TYR 39 N -0.22 0.00 -2.48 1.90 0.18 -1.01 -3.91 117.16 111.61 1b3c n TYR 39 Ca -0.16 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.20 1b3c n TYR 39 Cb 0.64 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.57 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1b3c s TYR 41 N 1.26 -0.68 -0.77 0.00 5.04 0.22 -1.96 117.35 120.46 1b3c s TYR 41 Ca 0.57 1.25 -0.04 0.00 -2.44 0.00 0.00 57.07 56.41 1b3c s TYR 41 Cb -0.27 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1b3c s TYR 41 CO 0.28 -0.48 0.67 0.41 -1.34 0.00 0.00 175.55 175.08 1b3c n GLY 42 N 5.37 0.05 3.67 8.97 0.00 -1.26 -2.86 105.19 119.14 1b3c n GLY 42 Ca -0.07 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.67 -2.74 -3.61 1.61 3.72 -1.26 -4.96 117.46 106.54 1b3c n PHE 43 Ca -0.04 0.99 -0.07 0.00 -0.05 0.00 0.00 57.45 58.28 1b3c n PHE 43 Cb 0.55 -4.80 -0.05 0.00 -0.94 0.00 0.00 39.48 34.24 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 -3.35 -0.07 0.14 1.37 0.00 -1.13 -3.02 107.32 101.25 1b3c s GLY 44 Ca 0.59 2.53 -0.31 0.00 0.00 0.00 0.00 44.72 47.53 1b3c s GLY 44 CO 0.75 1.27 1.36 0.00 0.00 0.00 0.00 173.10 176.49 1b3c s TYR 46 N 0.82 2.24 0.03 0.00 5.04 0.31 -2.84 117.35 122.95 1b3c s TYR 46 Ca 0.62 -0.37 0.08 0.00 -2.44 0.00 0.00 57.07 54.96 1b3c s TYR 46 Cb -0.37 -1.13 -0.02 0.00 0.35 0.00 0.00 41.96 40.78 1b3c s TYR 46 CO 0.32 0.45 -0.24 0.00 -1.34 0.00 0.00 175.55 174.74 1b3c s GLU 48 N -1.05 0.78 -1.38 0.00 2.02 0.16 -1.90 118.70 117.34 1b3c s GLU 48 Ca 0.10 -0.60 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 1b3c s GLU 48 Cb -0.09 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.41 1b3c s GLU 48 CO 0.01 0.19 1.15 0.41 0.02 0.00 0.00 175.26 177.04 1b3c n GLY 49 N 2.18 -0.55 3.80 -1.39 0.00 -1.25 -2.66 105.19 105.32 1b3c n GLY 49 Ca -0.17 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1b3c n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b3c s LEU 50 N -7.28 4.35 1.11 0.99 2.34 -1.26 -3.10 118.68 115.84 1b3c s LEU 50 Ca 0.57 0.64 -0.12 0.00 0.06 0.00 0.00 54.13 55.28 1b3c s LEU 50 Cb -0.25 -2.36 0.26 0.00 -0.56 0.00 0.00 46.19 43.27 1b3c s LEU 50 CO 0.71 0.25 1.05 -2.84 -1.06 0.00 0.00 176.35 174.46 1b3c s PRO 51 N -0.40 -0.52 0.26 1.48 0.02 -1.26 -4.87 135.00 129.70 1b3c s PRO 51 Ca 0.18 0.92 0.23 0.00 0.02 0.00 0.00 61.00 62.35 1b3c s PRO 51 Cb -0.14 -1.59 0.99 0.00 0.02 0.00 0.00 34.50 33.78 1b3c s PRO 51 CO 0.07 -3.48 1.68 -3.47 -0.33 0.00 0.00 177.00 171.47 1b3c n ASP 52 N -4.76 0.62 0.15 2.53 2.03 -1.26 -2.03 116.55 113.84 1b3c n ASP 52 Ca 0.04 0.67 0.13 0.00 0.52 0.00 0.00 54.79 56.16 1b3c n ASP 52 Cb 0.54 -0.80 0.34 0.00 -0.72 0.00 0.00 41.12 40.49 1b3c n ASP 52 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1b3c h SER 53 N 0.00 0.00 -3.16 1.67 0.87 -1.94 -3.45 113.55 107.54 1b3c h SER 53 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1b3c h SER 53 Cb 0.29 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1b3c h SER 53 CO 0.00 0.00 0.77 -0.89 -0.53 0.00 0.00 176.83 176.18 1b3c s THR 54 N -3.18 2.84 -0.37 2.23 2.01 -0.86 -4.97 115.64 113.34 1b3c s THR 54 Ca 0.08 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1b3c s THR 54 Cb 0.09 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1b3c s THR 54 CO 0.61 0.08 0.49 -1.58 -0.69 0.00 0.00 174.62 173.52 1b3c s GLN 55 N 0.36 3.46 0.31 4.92 -0.44 -1.26 -5.01 119.66 122.00 1b3c s GLN 55 Ca 0.63 -0.35 0.07 0.00 -2.50 0.00 0.00 55.36 53.20 1b3c s GLN 55 Cb -0.41 -3.86 -0.02 0.00 -1.64 0.00 0.00 33.01 27.08 1b3c s GLN 55 CO 0.37 -0.71 0.24 0.25 0.50 0.00 0.00 175.29 175.93 1b3c n THR 56 N 5.45 0.00 -2.74 -0.34 -2.24 -1.26 -4.21 114.28 108.94 1b3c n THR 56 Ca -0.06 -2.19 -0.27 0.00 -2.27 0.00 0.00 64.05 59.26 1b3c n THR 56 Cb 0.48 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 1b3c n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1b3c s TRP 57 N -3.18 3.55 0.85 4.78 -0.00 0.35 -4.40 118.94 120.88 1b3c s TRP 57 Ca 0.33 0.79 -0.13 0.00 -0.00 0.00 0.00 56.10 57.10 1b3c s TRP 57 Cb 0.02 -2.28 0.11 0.00 -0.00 0.00 0.00 33.47 31.32 1b3c s TRP 57 CO 0.24 -0.21 1.22 -1.25 -0.00 0.00 0.00 176.95 176.94 1b3c s PRO 58 N -4.58 1.60 0.61 5.86 0.04 -1.26 -3.57 135.00 133.70 1b3c s PRO 58 Ca 0.47 -0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.48 1b3c s PRO 58 Cb -0.10 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1b3c s PRO 58 CO 0.42 -1.82 0.85 -0.51 0.04 0.00 0.00 177.00 175.98 1b3c s LEU 59 N -5.66 3.17 0.00 -3.56 2.01 -1.26 -5.09 118.68 108.29 1b3c s LEU 59 Ca 0.65 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.60 1b3c s LEU 59 Cb -0.09 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.62 1b3c s LEU 59 CO 0.50 -1.39 0.00 -2.65 1.01 0.00 0.00 176.35 173.82 1b3c n PRO 60 N -2.49 0.29 0.02 1.29 -0.02 -1.26 -4.45 135.00 128.38 1b3c n PRO 60 Ca 0.11 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.81 1b3c n PRO 60 Cb 0.60 0.00 0.68 0.00 -0.02 0.00 0.00 33.50 34.76 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 -0.85 0.00 -0.69 2.55 -1.24 -2.07 -2.25 115.58 111.02 1b3c h ASN 61 Ca 0.00 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.35 1b3c h ASN 61 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1b3c h ASN 61 CO 0.00 0.00 2.56 2.29 -1.29 0.00 0.00 177.43 180.99 1b3c n LYS 62 N -3.59 3.96 -1.13 6.67 2.85 -1.26 -4.96 118.16 120.69 1b3c n LYS 62 Ca 0.11 -2.79 -0.29 0.00 -1.05 0.00 0.00 58.31 54.29 1b3c n LYS 62 Cb 0.83 -2.61 0.20 0.00 -0.65 0.00 0.00 35.03 32.81 1b3c n LYS 62 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b3c s THR 63 N -0.01 1.87 -2.00 0.58 2.01 -0.85 -4.85 115.64 112.39 1b3c s THR 63 Ca 0.61 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.68 1b3c s THR 63 Cb 0.21 -2.48 0.21 0.00 0.01 0.00 0.00 72.50 70.44 1b3c s THR 63 CO -0.09 0.00 0.89 0.00 -0.69 0.00 0.00 174.62 174.73