#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 7.01 0.19 3.14 1.11 -1.26 -2.16 116.67 124.70 1b3c s ASP 2 Ca 0.00 1.21 -0.03 0.00 0.18 0.00 0.00 52.55 53.92 1b3c s ASP 2 Cb 0.00 -2.40 0.01 0.00 1.07 0.00 0.00 42.92 41.60 1b3c s ASP 2 CO 0.00 -0.03 0.29 0.61 1.18 0.00 0.00 175.17 177.22 1b3c n GLY 3 N 2.81 2.33 3.81 0.21 0.00 -1.01 -5.00 105.19 108.34 1b3c n GLY 3 Ca -0.03 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.33 3.11 0.48 1.61 2.02 -1.26 -1.83 117.35 117.16 1b3c s TYR 4 Ca 0.13 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.63 1b3c s TYR 4 Cb -0.01 -1.44 -0.07 0.00 -0.40 0.00 0.00 41.96 40.04 1b3c s TYR 4 CO 0.10 0.52 0.89 -0.51 -1.57 0.00 0.00 175.55 174.98 1b3c s LEU 5 N -3.53 3.66 0.00 -1.29 1.43 -0.41 -1.89 118.68 116.65 1b3c s LEU 5 Ca 0.32 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1b3c s LEU 5 Cb -0.09 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1b3c s LEU 5 CO 0.24 -0.54 0.00 1.33 0.23 0.00 0.00 176.35 177.61 1b3c n VAL 6 N -1.63 0.00 -4.45 -1.59 0.24 -1.26 -4.26 118.33 105.39 1b3c n VAL 6 Ca 0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 1b3c n VAL 6 Cb 0.54 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.30 1.60 0.40 7.34 2.12 0.18 -4.67 118.70 124.37 1b3c s GLU 7 Ca 0.00 -1.83 0.24 0.00 0.36 0.00 0.00 54.97 53.74 1b3c s GLU 7 Cb 0.00 -1.17 1.31 0.00 0.26 0.00 0.00 34.13 34.53 1b3c s GLU 7 CO 0.00 0.01 1.63 -0.22 -0.54 0.00 0.00 175.26 176.14 1b3c h LYS 8 N 2.22 0.13 0.01 4.30 3.64 -1.95 0.83 116.57 125.74 1b3c h LYS 8 Ca -0.40 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.70 1b3c h LYS 8 Cb 1.24 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1b3c h LYS 8 CO 0.68 0.09 -1.48 1.79 -2.27 0.00 0.00 179.45 178.26 1b3c h THR 9 N 0.14 1.13 0.00 1.00 1.35 -1.99 -3.48 112.91 111.05 1b3c h THR 9 Ca 0.80 -2.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1b3c h THR 9 Cb 2.24 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 71.23 1b3c h THR 9 CO -0.55 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1b3c n GLY 10 N 1.51 1.20 3.57 5.82 0.00 0.29 -4.53 105.19 113.04 1b3c n GLY 10 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.63 -0.96 -3.20 0.00 5.02 -1.26 0.51 118.16 113.64 1b3c n LYS 12 Ca 0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 1b3c n LYS 12 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.47 1b3c n LYS 12 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1b3c n LYS 13 N -1.43 0.69 -1.27 1.97 4.81 -1.26 -4.42 118.16 117.25 1b3c n LYS 13 Ca 0.00 -3.22 -0.38 0.00 -0.87 0.00 0.00 58.31 53.85 1b3c n LYS 13 Cb 0.00 -1.23 0.03 0.00 0.02 0.00 0.00 35.03 33.85 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1b3c n THR 14 N 1.47 0.93 -3.93 3.15 -1.04 -1.26 -3.61 114.28 109.99 1b3c n THR 14 Ca 0.21 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 1b3c n THR 14 Cb 0.53 -0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 68.60 1b3c n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3c n TYR 16 N 1.67 2.33 -3.15 0.00 4.02 -1.26 -4.59 117.16 116.18 1b3c n TYR 16 Ca -0.22 -2.15 0.05 0.00 -0.01 0.00 0.00 57.90 55.56 1b3c n TYR 16 Cb 0.56 -1.29 -0.01 0.00 -0.02 0.00 0.00 39.34 38.59 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 -2.96 0.27 0.36 -0.72 1.02 -1.26 -5.15 119.74 111.30 1b3c s LYS 17 Ca 0.55 0.33 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 1b3c s LYS 17 Cb 0.41 0.17 -0.10 0.00 -0.52 0.00 0.00 37.83 37.79 1b3c s LYS 17 CO -0.32 -0.43 0.88 -0.51 -0.92 0.00 0.00 175.35 174.05 1b3c s LEU 18 N 2.92 4.11 0.00 3.17 1.43 -1.26 -4.57 118.68 124.48 1b3c s LEU 18 Ca 0.16 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1b3c s LEU 18 Cb -0.07 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1b3c s LEU 18 CO -0.20 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1b3c n GLY 19 N -0.13 -0.35 3.19 -3.19 0.00 -1.13 -4.76 105.19 98.81 1b3c n GLY 19 Ca 0.04 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 0.68 -2.14 1.61 0.28 -1.26 -1.98 120.64 117.83 1b3c n GLU 20 Ca 0.00 -1.21 -0.31 0.00 -0.16 0.00 0.00 57.16 55.48 1b3c n GLU 20 Cb 0.00 -2.52 -0.04 0.00 1.43 0.00 0.00 31.44 30.30 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 5.63 5.40 0.54 -1.84 3.84 -1.26 -4.79 114.94 122.45 1b3c s ASN 21 Ca 0.50 -0.66 0.47 0.00 0.21 0.00 0.00 52.86 53.38 1b3c s ASN 21 Cb 0.12 -2.56 1.70 0.00 -0.55 0.00 0.00 41.25 39.96 1b3c s ASN 21 CO 0.17 -2.48 1.56 0.47 -2.79 0.00 0.00 177.10 174.04 1b3c n ASP 22 N 12.90 0.04 -0.13 -4.21 8.00 -1.26 0.23 116.55 132.11 1b3c n ASP 22 Ca 0.36 1.07 -0.04 0.00 0.71 0.00 0.00 54.79 56.89 1b3c n ASP 22 Cb 0.48 -0.53 0.04 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 -0.00 -0.16 1.24 3.04 -1.95 0.17 116.94 119.28 1b3c h PHE 23 Ca 0.93 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 62.70 1b3c h PHE 23 Cb 3.63 0.07 0.01 0.00 2.56 0.00 0.00 35.95 42.21 1b3c h PHE 23 CO -0.00 -0.08 -0.74 0.00 -2.02 0.00 0.00 178.31 175.47 1b3c h ASN 25 N 0.51 -0.85 -0.85 0.00 -0.73 -1.13 0.24 115.58 112.77 1b3c h ASN 25 Ca -0.04 0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 1b3c h ASN 25 Cb 1.36 0.29 -0.04 0.00 0.27 0.00 0.00 38.32 40.19 1b3c h ASN 25 CO 0.15 -0.45 0.52 0.03 -0.37 0.00 0.00 177.43 177.31 1b3c h ARG 26 N -0.67 1.15 0.65 6.67 3.08 -0.76 1.09 114.38 125.59 1b3c h ARG 26 Ca -0.02 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1b3c h ARG 26 Cb 0.61 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1b3c h ARG 26 CO -0.05 0.80 -0.31 1.49 -1.07 0.00 0.00 179.97 180.83 1b3c h GLU 27 N 1.17 -0.84 0.00 0.04 4.57 -0.90 -2.22 114.58 116.39 1b3c h GLU 27 Ca 0.31 0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.47 1b3c h GLU 27 Cb -0.06 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1b3c h GLU 27 CO -0.06 -0.54 -0.37 0.00 -1.18 0.00 0.00 179.01 176.86 1b3c n LYS 29 N -3.45 2.86 -2.63 0.00 4.81 0.38 -4.88 118.16 115.24 1b3c n LYS 29 Ca 0.00 -3.51 -0.42 0.00 -0.87 0.00 0.00 58.31 53.51 1b3c n LYS 29 Cb 0.53 -2.28 -0.03 0.00 0.02 0.00 0.00 35.03 33.27 1b3c n LYS 29 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1b3c s TRP 30 N -3.84 3.60 0.00 5.64 0.23 -0.85 -4.79 118.94 118.93 1b3c s TRP 30 Ca 0.60 1.59 0.00 0.00 -2.03 0.00 0.00 56.10 56.25 1b3c s TRP 30 Cb 0.48 -3.20 0.00 0.00 0.03 0.00 0.00 33.47 30.77 1b3c s TRP 30 CO -0.10 -0.36 0.00 1.63 0.96 0.00 0.00 176.95 179.08 1b3c n LYS 31 N 3.93 0.00 -3.71 4.98 5.02 -1.26 -4.13 118.16 122.99 1b3c n LYS 31 Ca 0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.99 1b3c n LYS 31 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.41 1b3c n LYS 31 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1b3c s HIS 32 N 0.00 3.43 -0.08 2.13 3.76 -1.26 -4.91 115.29 118.36 1b3c s HIS 32 Ca 0.00 -2.66 -0.07 0.00 -0.15 0.00 0.00 55.06 52.18 1b3c s HIS 32 Cb 0.00 -3.22 -0.02 0.00 1.11 0.00 0.00 32.58 30.44 1b3c s HIS 32 CO 0.00 -0.86 -0.13 -0.89 -0.85 0.00 0.00 174.74 172.01 1b3c n ILE 33 N 3.61 0.71 0.00 0.60 2.08 -1.26 -5.05 119.36 120.05 1b3c n ILE 33 Ca 0.07 0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.72 1b3c n ILE 33 Cb 0.38 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 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 1.57 0.00 3.46 7.39 0.00 -1.26 -4.97 105.19 111.37 1b3c n GLY 34 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 1.64 -0.25 -0.02 0.00 -1.26 -4.15 107.32 103.27 1b3c s GLY 35 Ca 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 44.72 43.23 1b3c s GLY 35 CO 0.00 -1.32 -0.18 -1.14 0.00 0.00 0.00 173.10 170.46 1b3c n SER 36 N 0.96 1.94 -3.77 1.64 3.41 -0.82 -4.98 113.62 112.00 1b3c n SER 36 Ca -0.16 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1b3c n SER 36 Cb 0.53 -0.82 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.48 -0.10 -0.15 7.33 5.04 -1.25 -5.01 117.35 120.74 1b3c s TYR 37 Ca -0.35 0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 1b3c s TYR 37 Cb 0.12 -0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.34 1b3c s TYR 37 CO 0.54 -0.12 -0.21 0.20 -1.34 0.00 0.00 175.55 174.62 1b3c s GLY 38 N 0.93 1.33 0.07 8.97 0.00 -1.26 -1.79 107.32 115.57 1b3c s GLY 38 Ca -0.07 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 1b3c s GLY 38 CO -0.04 0.11 0.12 -2.52 0.00 0.00 0.00 173.10 170.77 1b3c s TYR 39 N 0.99 0.24 -0.05 1.90 -0.85 -0.71 -3.86 117.35 115.01 1b3c s TYR 39 Ca -0.03 -0.68 -0.24 0.00 -0.52 0.00 0.00 57.07 55.60 1b3c s TYR 39 Cb -0.15 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 1b3c s TYR 39 CO -0.05 -0.48 0.72 0.00 -1.52 0.00 0.00 175.55 174.22 1b3c s TYR 41 N 0.72 0.88 -1.43 0.00 5.04 0.23 -2.85 117.35 119.94 1b3c s TYR 41 Ca 0.38 -0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.75 1b3c s TYR 41 Cb -0.18 -0.57 0.03 0.00 0.35 0.00 0.00 41.96 41.59 1b3c s TYR 41 CO 0.19 -0.02 1.04 0.41 -1.34 0.00 0.00 175.55 175.83 1b3c n GLY 42 N 2.85 -0.53 3.45 8.97 0.00 -1.26 -2.16 105.19 116.51 1b3c n GLY 42 Ca -0.14 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.84 -2.18 -3.56 1.61 3.01 -1.26 -4.98 117.46 105.25 1b3c n PHE 43 Ca -0.00 0.90 -0.09 0.00 1.01 0.00 0.00 57.45 59.27 1b3c n PHE 43 Cb 0.56 -4.80 -0.04 0.00 -0.01 0.00 0.00 39.48 35.20 1b3c n PHE 43 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b3c s GLY 44 N -4.19 -0.33 0.28 1.37 0.00 -0.92 -3.32 107.32 100.22 1b3c s GLY 44 Ca 0.08 1.68 -0.29 0.00 0.00 0.00 0.00 44.72 46.19 1b3c s GLY 44 CO 0.75 0.76 1.03 0.00 0.00 0.00 0.00 173.10 175.64 1b3c s TYR 46 N -1.26 0.42 0.05 0.00 6.14 -0.13 -1.29 117.35 121.28 1b3c s TYR 46 Ca 0.45 -0.91 -0.01 0.00 0.64 0.00 0.00 57.07 57.24 1b3c s TYR 46 Cb -0.28 -0.31 -0.04 0.00 0.42 0.00 0.00 41.96 41.76 1b3c s TYR 46 CO 0.35 -0.38 -0.01 0.00 0.64 0.00 0.00 175.55 176.15 1b3c s GLU 48 N -3.69 1.40 0.00 0.00 2.02 -0.74 -2.39 118.70 115.30 1b3c s GLU 48 Ca 0.05 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1b3c s GLU 48 Cb 0.06 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1b3c s GLU 48 CO -0.09 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1b3c n GLY 49 N 4.14 0.48 3.46 -1.39 0.00 -1.06 -1.95 105.19 108.87 1b3c n GLY 49 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1b3c n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b3c n LEU 50 N 0.00 0.40 -4.63 0.99 7.99 -0.92 -4.18 117.00 116.66 1b3c n LEU 50 Ca 0.00 0.25 -0.36 0.00 -0.01 0.00 0.00 56.01 55.89 1b3c n LEU 50 Cb 0.00 -0.93 0.08 0.00 -0.11 0.00 0.00 43.42 42.46 1b3c n LEU 50 CO 0.00 -0.74 0.57 -2.65 -1.51 0.00 0.00 177.39 173.06 1b3c n PRO 51 N 8.35 0.60 -0.28 3.23 -0.02 -1.26 -3.87 135.00 141.75 1b3c n PRO 51 Ca 0.64 0.26 -0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1b3c n PRO 51 Cb 0.03 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.32 1b3c n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b3c h ASP 52 N -0.12 -1.00 -0.58 2.55 5.19 -1.96 0.20 116.42 120.70 1b3c h ASP 52 Ca -0.48 0.25 0.10 0.00 -0.62 0.00 0.00 57.03 56.28 1b3c h ASP 52 Cb 1.34 0.57 -0.08 0.00 0.18 0.00 0.00 39.33 41.35 1b3c h ASP 52 CO 0.48 -0.28 0.18 -1.28 -3.12 0.00 0.00 179.24 175.21 1b3c h SER 53 N -0.05 0.12 -2.71 6.45 0.87 -2.00 -3.42 113.55 112.82 1b3c h SER 53 Ca 0.34 0.09 -0.60 0.00 -1.23 0.00 0.00 61.79 60.39 1b3c h SER 53 Cb 0.59 0.10 0.13 0.00 -0.44 0.00 0.00 62.40 62.77 1b3c h SER 53 CO -0.83 0.08 0.04 0.41 -0.53 0.00 0.00 176.83 176.00 1b3c n THR 54 N -5.05 2.18 -3.49 2.23 -1.04 0.71 -4.95 114.28 104.88 1b3c n THR 54 Ca 0.08 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.24 1b3c n THR 54 Cb 0.28 -0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 67.76 1b3c n THR 54 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b3c s GLN 55 N -1.78 3.85 0.24 -2.82 2.00 -1.26 -4.81 119.66 115.08 1b3c s GLN 55 Ca 0.62 0.31 0.06 0.00 -2.00 0.00 0.00 55.36 54.34 1b3c s GLN 55 Cb -0.61 -2.97 -0.02 0.00 0.80 0.00 0.00 33.01 30.21 1b3c s GLN 55 CO 0.58 0.53 0.20 0.25 -0.50 0.00 0.00 175.29 176.34 1b3c n THR 56 N 0.86 0.00 -3.69 -0.34 -2.24 -1.26 -4.85 114.28 102.76 1b3c n THR 56 Ca -0.07 -1.77 -0.37 0.00 -2.27 0.00 0.00 64.05 59.57 1b3c n THR 56 Cb 0.52 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.97 3.62 1.03 4.78 -0.00 -0.79 -3.12 118.94 121.49 1b3c s TRP 57 Ca 0.28 0.70 -0.17 0.00 -0.00 0.00 0.00 56.10 56.91 1b3c s TRP 57 Cb 0.01 -2.14 0.25 0.00 -0.00 0.00 0.00 33.47 31.60 1b3c s TRP 57 CO 0.20 0.61 1.07 -0.35 -0.00 0.00 0.00 176.95 178.48 1b3c n PRO 58 N 2.23 -2.31 -3.20 5.86 -0.04 -1.26 -4.31 135.00 131.97 1b3c n PRO 58 Ca -0.16 -1.69 -0.19 0.00 -0.04 0.00 0.00 63.50 61.41 1b3c n PRO 58 Cb 0.53 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1b3c n PRO 58 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b3c s LEU 59 N 0.00 3.37 0.00 1.53 1.02 -1.18 -5.10 118.68 118.32 1b3c s LEU 59 Ca 0.66 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1b3c s LEU 59 Cb -0.05 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1b3c s LEU 59 CO 0.49 -0.93 0.00 -2.65 0.02 0.00 0.00 176.35 173.28 1b3c n PRO 60 N -1.90 1.49 -0.18 1.29 -0.02 -1.26 -4.47 135.00 129.95 1b3c n PRO 60 Ca 0.09 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.86 1b3c n PRO 60 Cb 0.61 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.81 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1b3c h ASN 61 N -0.03 0.00 -1.38 2.55 -0.26 -2.04 -2.84 115.58 111.58 1b3c h ASN 61 Ca 0.00 0.00 -0.76 0.00 -0.56 0.00 0.00 56.30 54.98 1b3c h ASN 61 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.11 1b3c h ASN 61 CO 0.00 0.00 2.03 0.29 -1.06 0.00 0.00 177.43 178.69 1b3c n LYS 62 N -4.12 3.66 -2.11 0.81 5.02 -1.26 -4.97 118.16 115.19 1b3c n LYS 62 Ca 0.19 -3.53 -0.16 0.00 -2.02 0.00 0.00 58.31 52.79 1b3c n LYS 62 Cb 1.01 -2.91 0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1b3c n LYS 62 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1b3c n THR 63 N 3.25 0.00 1.91 -0.18 -1.04 -1.07 -4.81 114.28 112.34 1b3c n THR 63 Ca 0.40 -1.19 0.15 0.00 -2.04 0.00 0.00 64.05 61.38 1b3c n THR 63 Cb 0.36 -0.93 0.91 0.00 -1.82 0.00 0.00 70.33 68.84 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43