#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 6.71 0.26 3.14 1.01 -1.26 -1.83 116.67 124.70 1b3c s ASP 2 Ca 0.00 0.85 0.06 0.00 0.71 0.00 0.00 52.55 54.17 1b3c s ASP 2 Cb 0.00 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 1b3c s ASP 2 CO 0.00 0.31 0.20 0.61 0.21 0.00 0.00 175.17 176.51 1b3c n GLY 3 N 1.69 3.20 3.33 0.21 0.00 -0.29 -4.99 105.19 108.34 1b3c n GLY 3 Ca -0.14 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.00 2.74 1.04 1.61 2.02 -1.25 -1.73 117.35 118.77 1b3c s TYR 4 Ca 0.29 -0.75 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 1b3c s TYR 4 Cb 0.01 -1.81 0.13 0.00 -0.40 0.00 0.00 41.96 39.90 1b3c s TYR 4 CO 0.20 -0.26 0.59 1.28 -1.57 0.00 0.00 175.55 175.79 1b3c n LEU 5 N 3.51 -0.24 0.00 -1.29 4.77 -0.49 0.84 117.00 124.10 1b3c n LEU 5 Ca -0.18 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1b3c n LEU 5 Cb 0.53 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1b3c n LEU 5 CO 0.30 -3.11 0.00 1.33 -1.33 0.00 0.00 177.39 174.58 1b3c n VAL 6 N -4.25 0.00 -4.15 4.08 0.24 -1.26 -4.12 118.33 108.88 1b3c n VAL 6 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1b3c n VAL 6 Cb 0.55 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.84 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 -1.04 1.38 0.58 7.34 2.12 0.15 -4.76 118.70 124.46 1b3c s GLU 7 Ca 0.00 -1.57 0.29 0.00 0.36 0.00 0.00 54.97 54.05 1b3c s GLU 7 Cb 0.00 0.34 1.47 0.00 0.26 0.00 0.00 34.13 36.20 1b3c s GLU 7 CO 0.00 -0.50 1.91 0.87 -0.54 0.00 0.00 175.26 176.99 1b3c h LYS 8 N 2.45 0.00 -0.00 4.30 1.57 -1.99 0.77 116.57 123.66 1b3c h LYS 8 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1b3c h LYS 8 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1b3c h LYS 8 CO 0.46 0.00 -0.62 0.25 -0.57 0.00 0.00 179.45 178.97 1b3c n THR 9 N -3.87 0.00 -0.33 -0.16 -2.24 -1.26 -4.93 114.28 101.49 1b3c n THR 9 Ca 0.10 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1b3c n THR 9 Cb 0.71 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 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 1.46 0.81 3.98 3.38 0.00 0.27 -4.68 105.19 110.40 1b3c n GLY 10 Ca 0.07 -0.26 -0.20 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 -1.66 -0.58 -2.79 0.00 5.02 -1.26 -0.68 118.16 116.22 1b3c n LYS 12 Ca -0.03 -0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 55.40 1b3c n LYS 12 Cb 0.58 -0.43 -0.02 0.00 -0.02 0.00 0.00 35.03 35.14 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 -1.95 2.95 -1.12 1.97 3.00 -1.26 -4.75 118.16 116.99 1b3c n LYS 13 Ca 0.05 -4.49 -0.38 0.00 -0.00 0.00 0.00 58.31 53.49 1b3c n LYS 13 Cb 0.18 -2.12 -0.02 0.00 0.00 0.00 0.00 35.03 33.06 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b3c n THR 14 N -0.26 1.31 -4.30 3.15 -1.04 -1.26 -3.84 114.28 108.03 1b3c n THR 14 Ca 0.32 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.72 1b3c n THR 14 Cb 0.54 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.29 0.00 -3.96 0.00 4.01 -1.26 -4.65 117.16 111.59 1b3c n TYR 16 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1b3c n TYR 16 Cb 0.58 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.91 1.90 0.92 -0.72 3.01 -1.26 -5.10 119.74 116.57 1b3c s LYS 17 Ca 0.26 -2.49 -0.11 0.00 -1.01 0.00 0.00 55.97 52.62 1b3c s LYS 17 Cb 0.19 -3.31 0.14 0.00 -1.01 0.00 0.00 37.83 33.84 1b3c s LYS 17 CO 0.29 -1.08 1.10 -0.51 0.51 0.00 0.00 175.35 175.67 1b3c s LEU 18 N -0.07 2.43 0.00 3.17 1.43 -1.26 -4.50 118.68 119.88 1b3c s LEU 18 Ca 0.16 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1b3c s LEU 18 Cb -0.25 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1b3c s LEU 18 CO -0.02 -2.92 0.00 0.61 0.23 0.00 0.00 176.35 174.25 1b3c n GLY 19 N -0.35 -1.79 3.46 -3.19 0.00 -1.22 -4.69 105.19 97.41 1b3c n GLY 19 Ca 0.09 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 0.07 -2.15 1.61 0.00 -1.26 -3.14 120.64 115.77 1b3c n GLU 20 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 57.16 55.50 1b3c n GLU 20 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 31.44 28.04 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 6.88 5.37 0.19 4.31 3.84 -1.26 -4.81 114.94 129.47 1b3c s ASN 21 Ca 0.66 -1.34 -0.23 0.00 0.21 0.00 0.00 52.86 52.16 1b3c s ASN 21 Cb -0.04 -2.58 0.11 0.00 -0.55 0.00 0.00 41.25 38.20 1b3c s ASN 21 CO 0.16 -2.63 1.56 0.44 -2.79 0.00 0.00 177.10 173.84 1b3c h ASP 22 N 10.12 -1.50 -0.56 -4.21 3.32 -1.92 0.26 116.42 121.92 1b3c h ASP 22 Ca 0.19 0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.57 1b3c h ASP 22 Cb 0.96 0.73 -0.07 0.00 0.22 0.00 0.00 39.33 41.17 1b3c h ASP 22 CO 1.26 -0.30 -0.39 0.15 -1.72 0.00 0.00 179.24 178.24 1b3c h PHE 23 N -0.11 -1.24 -0.09 4.55 3.04 -1.99 0.29 116.94 121.39 1b3c h PHE 23 Ca 0.25 0.08 -0.07 0.00 3.98 0.00 0.00 57.97 62.21 1b3c h PHE 23 Cb 0.55 0.62 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1b3c h PHE 23 CO -0.80 -0.27 -0.25 0.00 -2.02 0.00 0.00 178.31 174.97 1b3c h ASN 25 N 0.14 -0.57 -0.61 0.00 -0.73 0.31 0.32 115.58 114.43 1b3c h ASN 25 Ca 0.02 0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 1b3c h ASN 25 Cb 0.52 0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.32 1b3c h ASN 25 CO 0.04 -0.11 0.15 -0.09 -0.37 0.00 0.00 177.43 177.05 1b3c h ARG 26 N -0.09 0.98 -0.97 6.67 9.65 -1.46 -2.59 114.38 126.57 1b3c h ARG 26 Ca 0.03 -0.23 0.24 0.00 -1.10 0.00 0.00 59.98 58.91 1b3c h ARG 26 Cb 0.16 -0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 28.49 1b3c h ARG 26 CO -0.20 0.89 0.54 1.49 2.80 0.00 0.00 179.97 185.50 1b3c h GLU 27 N 0.90 0.53 -0.19 0.20 4.81 -0.72 0.12 114.58 120.23 1b3c h GLU 27 Ca 0.19 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.18 1b3c h GLU 27 Cb 0.35 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1b3c h GLU 27 CO 0.00 0.35 -0.71 0.00 -0.73 0.00 0.00 179.01 177.92 1b3c n LYS 29 N -3.95 0.00 -2.31 0.00 5.02 0.40 -4.77 118.16 112.55 1b3c n LYS 29 Ca -0.06 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1b3c n LYS 29 Cb 0.71 -0.68 -0.00 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.28 -3.55 -0.81 2.13 5.03 -1.16 -4.46 117.44 114.34 1b3c n TRP 30 Ca 0.00 2.11 -0.34 0.00 3.03 0.00 0.00 57.50 62.30 1b3c n TRP 30 Cb 0.00 -3.10 0.12 0.00 -1.03 0.00 0.00 31.31 27.30 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 1.90 -0.55 -2.39 -0.99 4.76 -1.26 -3.21 118.16 116.43 1b3c n LYS 31 Ca -0.03 -0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.14 1b3c n LYS 31 Cb 0.05 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1b3c n LYS 31 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1b3c n HIS 32 N -3.62 -0.82 0.00 2.13 8.25 -1.26 -4.83 115.22 115.06 1b3c n HIS 32 Ca 0.03 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1b3c n HIS 32 Cb 0.57 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.61 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1b3c n ILE 33 N -4.03 0.00 -0.28 1.59 5.41 -1.20 -5.09 119.36 115.76 1b3c n ILE 33 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1b3c n ILE 33 Cb 0.61 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 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 1.71 0.88 3.63 7.39 0.00 -1.26 -4.74 105.19 112.80 1b3c n GLY 34 Ca 0.00 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.12 1.94 -0.19 -0.02 0.00 -1.26 -4.45 107.32 101.22 1b3c s GLY 35 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 43.71 1b3c s GLY 35 CO 0.00 0.30 -0.20 -1.14 0.00 0.00 0.00 173.10 172.06 1b3c n SER 36 N 4.10 1.88 -3.67 1.64 3.41 -1.25 -4.90 113.62 114.84 1b3c n SER 36 Ca -0.16 0.45 -0.10 0.00 -0.26 0.00 0.00 58.87 58.81 1b3c n SER 36 Cb 0.52 -0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.52 -0.70 0.04 7.33 6.14 -1.21 -5.06 117.35 121.36 1b3c s TYR 37 Ca -0.26 1.40 0.02 0.00 0.64 0.00 0.00 57.07 58.88 1b3c s TYR 37 Cb 0.06 0.26 -0.02 0.00 0.42 0.00 0.00 41.96 42.67 1b3c s TYR 37 CO 0.40 -0.43 -0.08 0.20 0.64 0.00 0.00 175.55 176.28 1b3c s GLY 38 N 2.23 0.50 0.00 8.97 0.00 -1.26 -1.74 107.32 116.02 1b3c s GLY 38 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1b3c s GLY 38 CO -0.12 -0.72 0.00 1.58 0.00 0.00 0.00 173.10 173.83 1b3c n TYR 39 N 1.72 -0.12 -4.44 1.90 0.18 -0.08 -4.18 117.16 112.15 1b3c n TYR 39 Ca -0.21 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.23 1b3c n TYR 39 Cb 0.55 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.40 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 -0.41 0.12 0.00 0.00 6.14 -0.95 -3.43 117.35 118.83 1b3c s TYR 41 Ca 0.07 -0.77 0.00 0.00 0.64 0.00 0.00 57.07 57.01 1b3c s TYR 41 Cb -0.12 -0.76 0.00 0.00 0.42 0.00 0.00 41.96 41.50 1b3c s TYR 41 CO 0.02 -0.86 0.00 0.41 0.64 0.00 0.00 175.55 175.76 1b3c n GLY 42 N 5.08 1.57 2.94 8.97 0.00 -1.26 -4.41 105.19 118.08 1b3c n GLY 42 Ca -0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.74 -1.98 -3.61 1.61 3.72 -1.26 -4.99 117.46 109.20 1b3c n PHE 43 Ca 0.00 0.71 -0.08 0.00 -0.05 0.00 0.00 57.45 58.03 1b3c n PHE 43 Cb 0.11 -3.93 -0.06 0.00 -0.94 0.00 0.00 39.48 34.67 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 -3.44 -0.13 -0.55 1.37 0.00 -1.26 -3.84 107.32 99.47 1b3c s GLY 44 Ca 0.32 2.44 -0.28 0.00 0.00 0.00 0.00 44.72 47.19 1b3c s GLY 44 CO 0.60 1.30 1.23 0.00 0.00 0.00 0.00 173.10 176.23 1b3c s TYR 46 N 5.04 3.03 -0.01 0.00 5.04 0.13 -1.40 117.35 129.20 1b3c s TYR 46 Ca 0.46 0.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.17 1b3c s TYR 46 Cb -0.08 -1.65 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 1b3c s TYR 46 CO 0.27 0.44 -0.08 0.00 -1.34 0.00 0.00 175.55 174.84 1b3c s GLU 48 N -0.21 3.36 0.00 0.00 2.02 -0.71 -1.14 118.70 122.03 1b3c s GLU 48 Ca 0.03 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1b3c s GLU 48 Cb -0.03 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1b3c s GLU 48 CO -0.00 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1b3c n GLY 49 N 3.78 1.63 3.63 -1.39 0.00 -0.87 -3.36 105.19 108.62 1b3c n GLY 49 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 3.92 0.77 0.99 1.43 -0.76 -4.68 118.68 120.35 1b3c s LEU 50 Ca 0.00 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.19 1b3c s LEU 50 Cb 0.00 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.74 1b3c s LEU 50 CO 0.00 -1.01 1.15 -2.16 0.23 0.00 0.00 176.35 174.57 1b3c s PRO 51 N 3.99 2.00 0.47 1.29 0.04 -1.26 -4.24 135.00 137.28 1b3c s PRO 51 Ca 0.54 1.53 0.18 0.00 0.04 0.00 0.00 61.00 63.29 1b3c s PRO 51 Cb -0.16 -1.84 1.17 0.00 0.04 0.00 0.00 34.50 33.70 1b3c s PRO 51 CO 0.21 -1.89 1.98 -0.44 0.04 0.00 0.00 177.00 176.89 1b3c h ASP 52 N -0.79 0.24 0.30 6.66 3.32 -1.97 0.21 116.42 124.39 1b3c h ASP 52 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b3c h ASP 52 Cb 1.27 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1b3c h ASP 52 CO 0.49 0.13 0.00 -1.28 -1.72 0.00 0.00 179.24 176.86 1b3c h SER 53 N 0.26 0.00 -3.26 6.45 0.87 -2.00 -3.41 113.55 112.47 1b3c h SER 53 Ca 0.28 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 60.25 1b3c h SER 53 Cb 0.74 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.61 1b3c h SER 53 CO -0.06 0.00 -0.32 -0.89 -0.53 0.00 0.00 176.83 175.03 1b3c s THR 54 N -3.85 5.29 -0.15 2.23 2.01 0.75 -5.07 115.64 116.85 1b3c s THR 54 Ca -0.02 0.57 -0.08 0.00 0.31 0.00 0.00 61.69 62.47 1b3c s THR 54 Cb 0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1b3c s THR 54 CO 0.40 0.40 0.13 -1.58 -0.69 0.00 0.00 174.62 173.28 1b3c s GLN 55 N 0.34 3.71 0.16 4.92 -0.44 -1.26 -4.79 119.66 122.29 1b3c s GLN 55 Ca 0.17 -0.18 0.01 0.00 -2.50 0.00 0.00 55.36 52.86 1b3c s GLN 55 Cb -0.13 -3.26 -0.01 0.00 -1.64 0.00 0.00 33.01 27.98 1b3c s GLN 55 CO 0.05 0.59 0.05 0.25 0.50 0.00 0.00 175.29 176.72 1b3c n THR 56 N 2.59 0.00 -1.92 -0.34 -2.24 -1.26 -4.95 114.28 106.16 1b3c n THR 56 Ca -0.18 -0.89 -0.33 0.00 -2.27 0.00 0.00 64.05 60.37 1b3c n THR 56 Cb 0.54 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.07 2.67 0.81 4.78 -0.00 0.25 -4.34 118.94 121.04 1b3c s TRP 57 Ca 0.07 1.55 -0.11 0.00 -0.00 0.00 0.00 56.10 57.61 1b3c s TRP 57 Cb 0.00 -3.18 0.11 0.00 -0.00 0.00 0.00 33.47 30.40 1b3c s TRP 57 CO 0.05 -1.59 1.16 -1.25 -0.00 0.00 0.00 176.95 175.31 1b3c s PRO 58 N -3.89 1.70 1.08 5.86 0.04 -1.26 -3.90 135.00 134.63 1b3c s PRO 58 Ca 0.68 -0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 1b3c s PRO 58 Cb -0.21 -2.01 0.24 0.00 0.04 0.00 0.00 34.50 32.56 1b3c s PRO 58 CO 0.37 -1.68 1.20 -0.51 0.04 0.00 0.00 177.00 176.42 1b3c s LEU 59 N -5.53 1.64 0.00 -3.56 1.02 -1.26 -5.04 118.68 105.95 1b3c s LEU 59 Ca 0.64 0.52 0.00 0.00 0.02 0.00 0.00 54.13 55.31 1b3c s LEU 59 Cb -0.09 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.69 1b3c s LEU 59 CO 0.48 -3.41 0.00 -2.65 0.02 0.00 0.00 176.35 170.80 1b3c n PRO 60 N -4.26 1.61 -0.22 1.29 -0.02 -1.26 -4.47 135.00 127.66 1b3c n PRO 60 Ca 0.13 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.93 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 -2.95 1.98 0.00 0.00 175.50 174.53 1b3c h ASN 61 N -0.01 0.00 -1.32 2.55 7.08 -2.06 -2.96 115.58 118.86 1b3c h ASN 61 Ca 0.00 0.00 -0.74 0.00 -3.08 0.00 0.00 56.30 52.48 1b3c h ASN 61 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.11 1b3c h ASN 61 CO 0.00 0.00 2.05 1.17 -2.08 0.00 0.00 177.43 178.57 1b3c n LYS 62 N -3.87 3.40 -0.73 4.14 4.81 -1.26 -4.99 118.16 119.66 1b3c n LYS 62 Ca 0.22 -3.44 -0.29 0.00 -0.87 0.00 0.00 58.31 53.93 1b3c n LYS 62 Cb 1.20 -3.06 0.24 0.00 0.02 0.00 0.00 35.03 33.42 1b3c n LYS 62 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1b3c s THR 63 N 1.46 1.91 -2.00 3.15 2.01 -1.12 -4.68 115.64 116.36 1b3c s THR 63 Ca 0.43 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.50 1b3c s THR 63 Cb 0.07 -2.21 0.21 0.00 0.01 0.00 0.00 72.50 70.57 1b3c s THR 63 CO -0.00 0.00 0.89 0.00 -0.69 0.00 0.00 174.62 174.82