#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 6.28 0.06 -5.58 1.01 -1.26 -0.45 116.67 116.73 1b3c s ASP 2 Ca 0.00 0.06 -0.01 0.00 0.71 0.00 0.00 52.55 53.31 1b3c s ASP 2 Cb 0.00 -1.84 0.00 0.00 1.01 0.00 0.00 42.92 42.10 1b3c s ASP 2 CO 0.00 -0.06 0.09 0.61 0.21 0.00 0.00 175.17 176.02 1b3c n GLY 3 N -1.36 2.61 3.19 0.21 0.00 0.12 -4.93 105.19 105.03 1b3c n GLY 3 Ca -0.09 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 -5.72 1.01 0.13 1.61 2.02 -1.26 -2.44 117.35 112.71 1b3c s TYR 4 Ca 0.04 -0.86 -0.07 0.00 -0.37 0.00 0.00 57.07 55.81 1b3c s TYR 4 Cb -0.00 -0.56 -0.06 0.00 -0.40 0.00 0.00 41.96 40.94 1b3c s TYR 4 CO 0.03 -0.08 0.41 -0.51 -1.57 0.00 0.00 175.55 173.83 1b3c s LEU 5 N -3.07 4.28 0.00 -1.29 1.43 -1.19 -1.81 118.68 117.03 1b3c s LEU 5 Ca 0.13 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1b3c s LEU 5 Cb 0.04 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1b3c s LEU 5 CO -0.03 0.07 0.00 1.33 0.23 0.00 0.00 176.35 177.95 1b3c n VAL 6 N 0.33 0.00 -4.51 -1.59 0.24 -1.26 -4.01 118.33 107.53 1b3c n VAL 6 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.02 1b3c n VAL 6 Cb 0.52 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.39 1.74 0.50 7.34 2.12 -0.22 -4.79 118.70 124.00 1b3c s GLU 7 Ca 0.00 -1.96 0.33 0.00 0.36 0.00 0.00 54.97 53.70 1b3c s GLU 7 Cb 0.00 -1.23 1.45 0.00 0.26 0.00 0.00 34.13 34.61 1b3c s GLU 7 CO 0.00 -0.08 1.76 0.87 -0.54 0.00 0.00 175.26 177.27 1b3c h LYS 8 N 2.03 0.10 0.00 4.30 1.57 -1.98 1.39 116.57 123.98 1b3c h LYS 8 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1b3c h LYS 8 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1b3c h LYS 8 CO 0.73 0.07 -0.69 0.25 -0.57 0.00 0.00 179.45 179.24 1b3c n THR 9 N -4.32 0.18 0.00 -0.16 -2.24 -1.26 -4.92 114.28 101.55 1b3c n THR 9 Ca 0.29 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1b3c n THR 9 Cb 1.25 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1b3c n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b3c n GLY 10 N 1.41 0.89 0.00 3.38 0.00 0.48 -4.82 105.19 106.53 1b3c n GLY 10 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.98 0.77 -3.83 0.00 2.85 -1.26 -1.06 118.16 114.65 1b3c n LYS 12 Ca 0.00 -2.55 -0.21 0.00 -1.05 0.00 0.00 58.31 54.50 1b3c n LYS 12 Cb 0.00 0.04 -0.17 0.00 -0.65 0.00 0.00 35.03 34.25 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 -3.91 0.43 0.01 -1.58 2.20 -1.26 -4.65 119.74 110.99 1b3c s LYS 13 Ca 0.36 0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1b3c s LYS 13 Cb -0.03 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 1b3c s LYS 13 CO 0.23 -0.24 0.10 0.99 -0.36 0.00 0.00 175.35 176.06 1b3c s THR 14 N 1.67 4.80 -0.06 3.43 2.01 -1.26 -2.20 115.64 124.03 1b3c s THR 14 Ca -0.00 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1b3c s THR 14 Cb -0.13 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 1b3c s THR 14 CO -0.03 0.31 -0.18 0.00 -0.69 0.00 0.00 174.62 174.03 1b3c h TYR 16 N 6.45 0.27 -3.53 0.00 0.05 -1.99 -3.39 116.97 114.83 1b3c h TYR 16 Ca -0.30 -0.11 -0.56 0.00 0.05 0.00 0.00 58.73 57.81 1b3c h TYR 16 Cb 1.19 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.81 1b3c h TYR 16 CO 0.45 0.80 0.95 0.21 -1.05 0.00 0.00 178.16 179.52 1b3c s LYS 17 N -3.70 3.65 0.35 4.88 2.20 -1.26 -4.99 119.74 120.87 1b3c s LYS 17 Ca -0.15 0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1b3c s LYS 17 Cb 0.02 -3.95 0.08 0.00 -1.51 0.00 0.00 37.83 32.48 1b3c s LYS 17 CO 0.73 -1.49 0.48 1.28 -0.36 0.00 0.00 175.35 175.99 1b3c n LEU 18 N 8.07 0.00 0.00 5.43 4.77 -1.26 -4.59 117.00 129.42 1b3c n LEU 18 Ca 0.11 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1b3c n LEU 18 Cb 0.49 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1b3c n LEU 18 CO 0.72 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1b3c n GLY 19 N 1.86 0.18 3.40 -0.72 0.00 -0.89 -4.42 105.19 104.61 1b3c n GLY 19 Ca 0.06 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1b3c n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b3c n GLU 20 N 0.00 0.12 -3.36 1.61 0.00 -1.26 -2.75 120.64 115.00 1b3c n GLU 20 Ca 0.00 -0.36 -0.45 0.00 0.00 0.00 0.00 57.16 56.35 1b3c n GLU 20 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 31.44 29.56 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1b3c s ASN 21 N 3.12 6.90 0.37 4.31 3.84 -1.26 -4.88 114.94 127.32 1b3c s ASN 21 Ca 0.86 -3.12 0.13 0.00 0.21 0.00 0.00 52.86 50.93 1b3c s ASN 21 Cb -0.41 -2.18 0.93 0.00 -0.55 0.00 0.00 41.25 39.05 1b3c s ASN 21 CO 0.29 -0.43 1.82 -0.78 -2.79 0.00 0.00 177.10 175.21 1b3c h ASP 22 N 7.21 0.58 -0.23 -4.21 1.82 -1.92 -1.51 116.42 118.16 1b3c h ASP 22 Ca 0.13 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.87 1b3c h ASP 22 Cb 0.96 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.89 1b3c h ASP 22 CO 0.86 0.21 -0.28 0.15 -1.61 0.00 0.00 179.24 178.58 1b3c h PHE 23 N 0.57 -0.85 -0.29 0.28 3.57 -1.97 1.66 116.94 119.90 1b3c h PHE 23 Ca 0.53 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 62.04 1b3c h PHE 23 Cb 1.08 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 1b3c h PHE 23 CO -0.00 -0.23 0.05 0.00 -2.23 0.00 0.00 178.31 175.89 1b3c h ASN 25 N 0.30 0.46 -0.56 0.00 -1.24 -0.66 -0.93 115.58 112.95 1b3c h ASN 25 Ca 0.09 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.15 1b3c h ASN 25 Cb 0.34 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 1b3c h ASN 25 CO 0.01 0.28 0.37 -0.09 -1.29 0.00 0.00 177.43 176.71 1b3c h ARG 26 N 0.60 0.74 -0.44 6.67 9.65 0.26 -1.47 114.38 130.39 1b3c h ARG 26 Ca 0.31 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1b3c h ARG 26 Cb 0.28 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1b3c h ARG 26 CO -0.23 0.49 0.08 0.93 2.80 0.00 0.00 179.97 184.03 1b3c h GLU 27 N 0.76 0.72 0.00 0.20 3.07 -1.10 -2.33 114.58 115.91 1b3c h GLU 27 Ca 0.21 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1b3c h GLU 27 Cb -0.09 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1b3c h GLU 27 CO -0.04 0.74 -0.02 0.00 -1.40 0.00 0.00 179.01 178.29 1b3c n LYS 29 N -3.18 3.09 -3.16 0.00 4.81 -0.58 -3.60 118.16 115.54 1b3c n LYS 29 Ca -0.02 -4.66 0.05 0.00 -0.87 0.00 0.00 58.31 52.82 1b3c n LYS 29 Cb 0.17 -2.33 -0.02 0.00 0.02 0.00 0.00 35.03 32.87 1b3c n LYS 29 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1b3c s TRP 30 N -2.63 -0.61 0.00 5.64 -0.11 -1.22 -4.89 118.94 115.13 1b3c s TRP 30 Ca 0.38 0.67 0.00 0.00 1.22 0.00 0.00 56.10 58.37 1b3c s TRP 30 Cb 0.13 0.22 0.00 0.00 -1.50 0.00 0.00 33.47 32.32 1b3c s TRP 30 CO 0.01 -0.33 0.00 1.63 -4.62 0.00 0.00 176.95 173.65 1b3c n LYS 31 N 5.43 -0.47 0.00 5.86 4.76 -1.26 -4.82 118.16 127.66 1b3c n LYS 31 Ca -0.07 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1b3c n LYS 31 Cb 0.53 -3.93 0.00 0.00 -1.84 0.00 0.00 35.03 29.80 1b3c n LYS 31 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1b3c n HIS 32 N -2.15 0.00 0.00 2.13 -0.00 -1.26 -5.13 115.22 108.81 1b3c n HIS 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1b3c n HIS 32 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 1b3c n HIS 32 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1b3c n ILE 33 N 0.00 0.00 0.00 3.57 0.13 -1.24 -4.17 119.36 117.66 1b3c n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1b3c n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 0.37 2.50 3.85 4.50 0.00 -1.26 -4.67 105.19 110.48 1b3c n GLY 34 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.15 2.74 -0.03 -0.02 0.00 -0.11 -4.43 107.32 104.31 1b3c s GLY 35 Ca 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.16 1b3c s GLY 35 CO 0.00 -2.09 0.95 -1.14 0.00 0.00 0.00 173.10 170.82 1b3c n SER 36 N -1.58 0.81 -3.55 1.64 3.41 -1.20 -4.97 113.62 108.19 1b3c n SER 36 Ca -0.12 -2.10 -0.13 0.00 -0.26 0.00 0.00 58.87 56.27 1b3c n SER 36 Cb 0.66 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.85 -0.55 0.01 7.33 6.14 -1.26 -5.07 117.35 123.11 1b3c s TYR 37 Ca 0.08 0.87 -0.09 0.00 0.64 0.00 0.00 57.07 58.57 1b3c s TYR 37 Cb 0.07 -0.04 0.01 0.00 0.42 0.00 0.00 41.96 42.42 1b3c s TYR 37 CO 0.01 -0.52 0.18 0.20 0.64 0.00 0.00 175.55 176.06 1b3c s GLY 38 N 2.46 0.01 0.18 8.97 0.00 -1.26 -1.59 107.32 116.09 1b3c s GLY 38 Ca 0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.44 1b3c s GLY 38 CO -0.12 -0.26 1.00 -2.52 0.00 0.00 0.00 173.10 171.20 1b3c s TYR 39 N -1.73 -0.02 -0.26 1.90 1.13 -0.73 -4.57 117.35 113.08 1b3c s TYR 39 Ca -0.12 -0.35 -0.23 0.00 -1.41 0.00 0.00 57.07 54.96 1b3c s TYR 39 Cb -0.05 0.68 -0.01 0.00 -1.10 0.00 0.00 41.96 41.48 1b3c s TYR 39 CO 0.01 -0.91 0.76 0.00 -2.51 0.00 0.00 175.55 172.90 1b3c s TYR 41 N 2.77 1.00 -0.86 0.00 6.14 -0.86 -2.08 117.35 123.45 1b3c s TYR 41 Ca 0.32 -0.37 -0.05 0.00 0.64 0.00 0.00 57.07 57.61 1b3c s TYR 41 Cb -0.15 -0.90 0.01 0.00 0.42 0.00 0.00 41.96 41.34 1b3c s TYR 41 CO 0.09 -0.32 0.65 0.41 0.64 0.00 0.00 175.55 177.01 1b3c n GLY 42 N 4.57 0.02 3.25 8.97 0.00 -1.26 -3.65 105.19 117.08 1b3c n GLY 42 Ca -0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.04 -2.66 0.00 1.61 3.72 -1.26 -4.98 117.46 109.85 1b3c n PHE 43 Ca -0.01 0.98 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 1b3c n PHE 43 Cb 0.55 -3.87 0.00 0.00 -0.94 0.00 0.00 39.48 35.21 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 -1.65 1.21 3.65 1.37 0.00 -1.24 -4.07 105.19 104.46 1b3c n GLY 44 Ca -0.06 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 3.51 2.29 0.09 0.00 5.04 -0.80 -3.15 117.35 124.33 1b3c s TYR 46 Ca 0.46 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 1b3c s TYR 46 Cb -0.14 -1.31 -0.04 0.00 0.35 0.00 0.00 41.96 40.82 1b3c s TYR 46 CO 0.12 0.22 -0.08 0.00 -1.34 0.00 0.00 175.55 174.47 1b3c s GLU 48 N -3.13 1.19 0.00 0.00 2.02 -0.62 -0.71 118.70 117.46 1b3c s GLU 48 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1b3c s GLU 48 Cb 0.00 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1b3c s GLU 48 CO -0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1b3c n GLY 49 N 3.14 1.81 3.64 -1.39 0.00 0.41 -3.24 105.19 109.55 1b3c n GLY 49 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 4.09 0.61 0.99 1.43 -1.21 -0.94 118.68 123.65 1b3c s LEU 50 Ca 0.00 0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1b3c s LEU 50 Cb 0.00 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1b3c s LEU 50 CO 0.00 -0.37 1.33 -2.84 0.23 0.00 0.00 176.35 174.70 1b3c s PRO 51 N 2.40 2.78 0.47 1.29 0.02 -1.26 -4.73 135.00 135.97 1b3c s PRO 51 Ca 0.28 2.16 0.20 0.00 0.02 0.00 0.00 61.00 63.67 1b3c s PRO 51 Cb -0.16 -2.02 1.21 0.00 0.02 0.00 0.00 34.50 33.56 1b3c s PRO 51 CO 0.09 -1.45 1.95 -0.44 -0.33 0.00 0.00 177.00 176.82 1b3c h ASP 52 N 0.91 0.21 0.00 2.53 3.32 -2.01 0.55 116.42 121.94 1b3c h ASP 52 Ca -0.51 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1b3c h ASP 52 Cb 1.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1b3c h ASP 52 CO 0.55 0.11 0.00 -1.54 -1.72 0.00 0.00 179.24 176.64 1b3c n SER 53 N -4.43 0.00 -4.79 6.45 3.41 -1.26 -4.75 113.62 108.24 1b3c n SER 53 Ca 0.12 -0.92 -0.39 0.00 -0.26 0.00 0.00 58.87 57.43 1b3c n SER 53 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1b3c s THR 54 N -2.00 4.84 0.56 6.66 2.01 0.19 -5.06 115.64 122.84 1b3c s THR 54 Ca 0.34 1.18 -0.14 0.00 0.31 0.00 0.00 61.69 63.38 1b3c s THR 54 Cb 0.15 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1b3c s THR 54 CO 0.26 0.50 1.00 -1.58 -0.69 0.00 0.00 174.62 174.11 1b3c s GLN 55 N -0.70 3.80 0.10 4.92 -0.44 -1.26 -4.91 119.66 121.18 1b3c s GLN 55 Ca 0.29 0.88 -0.26 0.00 -2.50 0.00 0.00 55.36 53.76 1b3c s GLN 55 Cb -0.19 -2.11 0.08 0.00 -1.64 0.00 0.00 33.01 29.15 1b3c s GLN 55 CO 0.17 -0.40 1.07 -0.08 0.50 0.00 0.00 175.29 176.56 1b3c s THR 56 N -2.84 0.00 0.36 -0.34 -1.32 -1.26 -4.93 115.64 105.30 1b3c s THR 56 Ca 0.57 -0.52 -0.13 0.00 -1.21 0.00 0.00 61.69 60.40 1b3c s THR 56 Cb -0.10 -2.06 -0.08 0.00 -1.51 0.00 0.00 72.50 68.74 1b3c s THR 56 CO 0.40 0.00 0.75 0.86 -2.21 0.00 0.00 174.62 174.43 1b3c s TRP 57 N -2.94 3.41 0.79 9.09 -0.00 -0.75 -3.97 118.94 124.57 1b3c s TRP 57 Ca 0.14 1.15 -0.12 0.00 -0.00 0.00 0.00 56.10 57.27 1b3c s TRP 57 Cb 0.00 -2.50 0.06 0.00 -0.00 0.00 0.00 33.47 31.04 1b3c s TRP 57 CO 0.01 0.01 1.10 -1.25 -0.00 0.00 0.00 176.95 176.81 1b3c s PRO 58 N -3.35 2.18 1.12 5.86 0.04 -1.26 -4.07 135.00 135.52 1b3c s PRO 58 Ca 0.53 0.57 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1b3c s PRO 58 Cb -0.10 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 32.76 1b3c s PRO 58 CO 0.23 -1.54 1.18 -0.51 0.04 0.00 0.00 177.00 176.41 1b3c s LEU 59 N -5.70 1.40 0.00 -3.56 1.02 -1.25 -5.03 118.68 105.56 1b3c s LEU 59 Ca 0.60 0.50 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1b3c s LEU 59 Cb -0.14 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 43.73 1b3c s LEU 59 CO 0.53 -3.64 0.00 -2.65 0.02 0.00 0.00 176.35 170.62 1b3c n PRO 60 N -4.41 0.36 -0.21 1.29 -0.02 -1.26 -4.66 135.00 126.09 1b3c n PRO 60 Ca 0.14 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.91 1b3c n PRO 60 Cb 0.59 0.00 0.71 0.00 -0.02 0.00 0.00 33.50 34.79 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 -1.00 0.03 -3.08 2.55 -1.24 -2.05 -3.35 115.58 107.45 1b3c h ASN 61 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 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 0.01 1.03 -0.54 -1.29 0.00 0.00 177.43 176.64 1b3c s LYS 62 N -5.00 3.45 0.63 6.67 1.02 -1.26 -5.00 119.74 120.24 1b3c s LYS 62 Ca -0.05 0.37 -0.07 0.00 0.02 0.00 0.00 55.97 56.24 1b3c s LYS 62 Cb 0.22 -4.05 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 1b3c s LYS 62 CO 0.78 -1.76 0.95 0.99 -0.92 0.00 0.00 175.35 175.39 1b3c s THR 63 N 5.37 3.23 -2.00 2.17 2.01 -1.26 -4.68 115.64 120.48 1b3c s THR 63 Ca 0.47 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1b3c s THR 63 Cb -0.09 -3.32 0.30 0.00 0.01 0.00 0.00 72.50 69.40 1b3c s THR 63 CO 0.26 -0.34 1.06 0.00 -0.69 0.00 0.00 174.62 174.91