#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 0.28 0.28 4.39 1.01 -1.26 -0.28 116.67 121.09 1b3c s ASP 2 Ca 0.00 -0.92 -0.20 0.00 0.71 0.00 0.00 52.55 52.14 1b3c s ASP 2 Cb 0.00 0.29 0.05 0.00 1.01 0.00 0.00 42.92 44.28 1b3c s ASP 2 CO 0.00 -0.71 0.86 -0.83 0.21 0.00 0.00 175.17 174.70 1b3c s GLY 3 N -2.94 0.13 -0.17 0.21 0.00 -0.23 -4.78 107.32 99.55 1b3c s GLY 3 Ca 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 1b3c s GLY 3 CO -0.07 0.42 -0.08 -0.19 0.00 0.00 0.00 173.10 173.19 1b3c s TYR 4 N -2.74 1.92 0.63 1.90 2.02 -1.26 -2.40 117.35 117.41 1b3c s TYR 4 Ca 0.16 -1.20 -0.17 0.00 -0.37 0.00 0.00 57.07 55.49 1b3c s TYR 4 Cb -0.04 -1.42 -0.10 0.00 -0.40 0.00 0.00 41.96 40.00 1b3c s TYR 4 CO 0.08 -0.64 0.23 1.28 -1.57 0.00 0.00 175.55 174.92 1b3c n LEU 5 N 4.82 -1.03 0.00 -1.29 4.77 -1.18 -0.14 117.00 122.96 1b3c n LEU 5 Ca -0.13 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 1b3c n LEU 5 Cb 0.48 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1b3c n LEU 5 CO 0.18 -3.81 -0.09 1.33 -1.33 0.00 0.00 177.39 173.67 1b3c n VAL 6 N -1.91 0.00 -4.21 4.08 0.24 -1.26 -3.91 118.33 111.35 1b3c n VAL 6 Ca 0.09 -0.91 -0.10 0.00 -2.04 0.00 0.00 64.34 61.38 1b3c n VAL 6 Cb 0.49 0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 33.04 1b3c n VAL 6 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b3c n GLU 7 N -0.46 1.29 -0.04 7.34 -0.58 0.07 -4.84 120.64 123.42 1b3c n GLU 7 Ca -0.07 -1.17 -0.01 0.00 -0.42 0.00 0.00 57.16 55.48 1b3c n GLU 7 Cb 0.24 0.44 0.26 0.00 -0.57 0.00 0.00 31.44 31.81 1b3c n GLU 7 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1b3c h LYS 8 N 0.00 0.61 -0.40 3.49 2.10 -1.97 -1.94 116.57 118.46 1b3c h LYS 8 Ca -0.12 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1b3c h LYS 8 Cb 0.41 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1b3c h LYS 8 CO 0.20 0.62 0.00 0.25 -2.00 0.00 0.00 179.45 178.52 1b3c n THR 9 N -4.27 0.53 0.00 0.07 -2.24 -1.26 -4.89 114.28 102.22 1b3c n THR 9 Ca 0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1b3c n THR 9 Cb 0.25 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.28 2.73 3.53 3.38 0.00 -0.73 -4.72 105.19 110.66 1b3c n GLY 10 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 0.17 0.03 -3.79 0.00 2.85 -1.26 -0.75 118.16 115.41 1b3c n LYS 12 Ca 0.11 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.18 1b3c n LYS 12 Cb 0.41 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.62 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 -1.35 0.16 0.10 -1.58 1.02 -1.25 -4.49 119.74 112.35 1b3c s LYS 13 Ca 0.00 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 1b3c s LYS 13 Cb 0.00 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1b3c s LYS 13 CO 0.00 -0.23 0.32 0.99 -0.92 0.00 0.00 175.35 175.50 1b3c s THR 14 N 1.56 5.24 -0.04 2.17 2.01 -1.26 -1.15 115.64 124.17 1b3c s THR 14 Ca -0.02 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 1b3c s THR 14 Cb -0.13 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1b3c s THR 14 CO -0.03 0.12 0.02 0.00 -0.69 0.00 0.00 174.62 174.04 1b3c h TYR 16 N 7.71 0.00 0.00 0.00 0.05 -1.99 -3.37 116.97 119.37 1b3c h TYR 16 Ca -0.32 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.79 1b3c h TYR 16 Cb 1.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 1b3c h TYR 16 CO 0.50 0.13 3.03 1.63 -1.05 0.00 0.00 178.16 182.40 1b3c n LYS 17 N -3.14 2.63 -1.62 4.88 5.02 -1.26 -4.94 118.16 119.74 1b3c n LYS 17 Ca 0.03 -2.27 -0.48 0.00 -2.02 0.00 0.00 58.31 53.57 1b3c n LYS 17 Cb 0.58 -3.06 -0.04 0.00 -0.02 0.00 0.00 35.03 32.49 1b3c n LYS 17 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1b3c n LEU 18 N 5.84 2.17 -1.47 -0.35 4.77 -1.26 -4.20 117.00 122.50 1b3c n LEU 18 Ca 0.55 1.13 0.18 0.00 -0.03 0.00 0.00 56.01 57.85 1b3c n LEU 18 Cb 0.35 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.05 1b3c n LEU 18 CO 0.91 -0.91 -0.58 0.61 -1.33 0.00 0.00 177.39 176.09 1b3c n GLY 19 N 2.30 -3.07 4.20 -0.72 0.00 0.03 -4.72 105.19 103.21 1b3c n GLY 19 Ca 0.15 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.36 -0.90 -3.04 1.61 2.13 -1.26 -4.54 120.64 110.28 1b3c n GLU 20 Ca -0.07 0.09 -0.44 0.00 0.66 0.00 0.00 57.16 57.39 1b3c n GLU 20 Cb 0.69 -3.51 -0.01 0.00 0.27 0.00 0.00 31.44 28.88 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1b3c s ASN 21 N -4.01 6.92 0.32 4.31 3.84 -1.26 -4.83 114.94 120.23 1b3c s ASN 21 Ca 0.17 -2.72 0.01 0.00 0.21 0.00 0.00 52.86 50.53 1b3c s ASN 21 Cb -0.10 -2.35 0.54 0.00 -0.55 0.00 0.00 41.25 38.79 1b3c s ASN 21 CO 0.92 -0.77 1.90 0.44 -2.79 0.00 0.00 177.10 176.81 1b3c h ASP 22 N 7.73 0.68 -0.49 -4.21 5.19 -1.87 -3.11 116.42 120.33 1b3c h ASP 22 Ca 0.22 -0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.59 1b3c h ASP 22 Cb 0.94 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.21 1b3c h ASP 22 CO 1.11 0.62 -0.36 0.15 -3.12 0.00 0.00 179.24 177.64 1b3c h PHE 23 N 0.74 -1.14 -0.98 4.55 3.57 -1.93 0.63 116.94 122.38 1b3c h PHE 23 Ca 0.18 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1b3c h PHE 23 Cb 0.17 0.56 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1b3c h PHE 23 CO 0.01 -0.26 0.64 0.00 -2.23 0.00 0.00 178.31 176.48 1b3c h ASN 25 N 1.34 0.23 0.35 0.00 -0.73 -0.84 0.91 115.58 116.84 1b3c h ASN 25 Ca 0.36 0.16 -0.21 0.00 1.87 0.00 0.00 56.30 58.48 1b3c h ASN 25 Cb -0.14 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 1b3c h ASN 25 CO -0.08 -0.03 -0.86 -0.09 -0.37 0.00 0.00 177.43 176.00 1b3c h ARG 26 N 0.35 0.37 -0.10 6.67 1.12 -0.83 -1.44 114.38 120.52 1b3c h ARG 26 Ca 0.54 -0.36 -0.18 0.00 -1.11 0.00 0.00 59.98 58.87 1b3c h ARG 26 Cb 1.02 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 31.07 1b3c h ARG 26 CO -0.55 1.03 -0.69 0.93 -3.11 0.00 0.00 179.97 177.59 1b3c h GLU 27 N 0.23 0.44 0.06 0.20 3.07 -0.31 -2.97 114.58 115.30 1b3c h GLU 27 Ca -0.06 -0.34 -0.23 0.00 -0.50 0.00 0.00 59.36 58.23 1b3c h GLU 27 Cb 1.47 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.43 1b3c h GLU 27 CO 0.14 0.97 -1.07 0.00 -1.40 0.00 0.00 179.01 177.65 1b3c n LYS 29 N -3.51 1.66 -0.57 0.00 4.81 -0.54 -3.60 118.16 116.40 1b3c n LYS 29 Ca -0.05 -0.70 -0.30 0.00 -0.87 0.00 0.00 58.31 56.39 1b3c n LYS 29 Cb 0.94 -1.38 0.22 0.00 0.02 0.00 0.00 35.03 34.82 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1b3c n TRP 30 N 0.08 -0.47 -2.54 5.64 5.03 -1.12 -4.78 117.44 119.28 1b3c n TRP 30 Ca 0.06 0.08 -0.41 0.00 3.03 0.00 0.00 57.50 60.26 1b3c n TRP 30 Cb 0.30 -1.81 -0.01 0.00 -1.03 0.00 0.00 31.31 28.76 1b3c n TRP 30 CO 0.00 0.00 0.00 0.21 -0.03 0.00 0.00 177.69 177.87 1b3c s LYS 31 N -4.42 3.78 0.30 -0.99 2.47 -1.26 -4.36 119.74 115.26 1b3c s LYS 31 Ca 0.67 -1.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.36 1b3c s LYS 31 Cb -0.24 -5.47 0.00 0.00 -1.46 0.00 0.00 37.83 30.66 1b3c s LYS 31 CO 0.63 -2.37 0.00 1.58 0.16 0.00 0.00 175.35 175.35 1b3c n HIS 32 N 8.97 -2.71 0.01 4.03 -0.00 -1.26 -5.07 115.22 119.19 1b3c n HIS 32 Ca 0.45 0.57 0.00 0.00 0.46 0.00 0.00 57.72 59.20 1b3c n HIS 32 Cb 0.47 0.99 0.00 0.00 -0.12 0.00 0.00 29.99 31.33 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1b3c n ILE 33 N -3.42 0.22 0.00 3.57 2.08 -1.26 -5.12 119.36 115.44 1b3c n ILE 33 Ca 0.00 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1b3c n ILE 33 Cb 0.00 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 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 3.23 -0.53 3.72 7.39 0.00 -1.26 -5.12 105.19 112.62 1b3c n GLY 34 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 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 2.11 -0.23 -0.02 0.00 -1.24 -4.73 107.32 103.21 1b3c s GLY 35 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.94 1b3c s GLY 35 CO 0.00 0.33 -0.02 -1.14 0.00 0.00 0.00 173.10 172.26 1b3c n SER 36 N 3.68 1.90 -4.07 1.64 3.41 -1.26 -4.58 113.62 114.35 1b3c n SER 36 Ca -0.14 0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 58.78 1b3c n SER 36 Cb 0.52 -0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.42 0.53 -0.30 7.33 6.14 -1.14 -5.03 117.35 122.46 1b3c s TYR 37 Ca -0.32 -0.80 -0.13 0.00 0.64 0.00 0.00 57.07 56.46 1b3c s TYR 37 Cb 0.09 -0.36 0.16 0.00 0.42 0.00 0.00 41.96 42.28 1b3c s TYR 37 CO 0.54 -0.24 0.92 0.20 0.64 0.00 0.00 175.55 177.61 1b3c s GLY 38 N -2.32 -0.35 0.29 8.97 0.00 -1.26 -0.58 107.32 112.07 1b3c s GLY 38 Ca -0.01 2.82 0.02 0.00 0.00 0.00 0.00 44.72 47.55 1b3c s GLY 38 CO -0.05 3.31 0.12 -2.52 0.00 0.00 0.00 173.10 173.97 1b3c s TYR 39 N 2.62 1.61 0.01 1.90 1.13 -0.57 -3.53 117.35 120.53 1b3c s TYR 39 Ca -0.01 -1.26 -0.23 0.00 -1.41 0.00 0.00 57.07 54.17 1b3c s TYR 39 Cb -0.08 -0.92 -0.05 0.00 -1.10 0.00 0.00 41.96 39.80 1b3c s TYR 39 CO -0.17 -0.40 0.68 0.00 -2.51 0.00 0.00 175.55 173.15 1b3c s TYR 41 N -0.06 0.12 -1.80 0.00 5.04 -0.09 -0.79 117.35 119.77 1b3c s TYR 41 Ca 0.35 -0.25 -0.20 0.00 -2.44 0.00 0.00 57.07 54.53 1b3c s TYR 41 Cb -0.19 -0.10 0.19 0.00 0.35 0.00 0.00 41.96 42.22 1b3c s TYR 41 CO 0.20 -0.12 0.59 0.41 -1.34 0.00 0.00 175.55 175.29 1b3c n GLY 42 N 2.22 -0.38 3.55 8.97 0.00 -1.26 0.66 105.19 118.95 1b3c n GLY 42 Ca -0.19 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.20 -2.56 -3.66 1.61 3.72 -1.26 -4.93 117.46 106.18 1b3c n PHE 43 Ca 0.06 0.98 -0.12 0.00 -0.05 0.00 0.00 57.45 58.32 1b3c n PHE 43 Cb 0.49 -5.00 -0.08 0.00 -0.94 0.00 0.00 39.48 33.94 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 -3.77 -0.50 -0.11 1.37 0.00 0.21 -2.54 107.32 101.99 1b3c s GLY 44 Ca 0.34 1.92 -0.29 0.00 0.00 0.00 0.00 44.72 46.69 1b3c s GLY 44 CO 0.74 1.78 1.58 0.00 0.00 0.00 0.00 173.10 177.20 1b3c s TYR 46 N 4.21 2.16 0.10 0.00 5.04 -0.67 -3.09 117.35 125.10 1b3c s TYR 46 Ca 0.70 -0.56 0.10 0.00 -2.44 0.00 0.00 57.07 54.87 1b3c s TYR 46 Cb -0.30 -1.42 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 1b3c s TYR 46 CO 0.27 -0.14 -0.24 0.00 -1.34 0.00 0.00 175.55 174.09 1b3c s GLU 48 N -1.81 2.62 0.00 0.00 2.02 0.25 -1.06 118.70 120.73 1b3c s GLU 48 Ca 0.14 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1b3c s GLU 48 Cb -0.10 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1b3c s GLU 48 CO 0.06 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1b3c n GLY 49 N 4.53 1.96 3.56 -1.39 0.00 0.61 -2.87 105.19 111.58 1b3c n GLY 49 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 4.26 1.34 0.99 2.01 -1.26 -4.60 118.68 121.42 1b3c s LEU 50 Ca 0.00 0.03 -0.19 0.00 0.01 0.00 0.00 54.13 53.98 1b3c s LEU 50 Cb 0.00 -2.91 0.34 0.00 0.01 0.00 0.00 46.19 43.64 1b3c s LEU 50 CO 0.00 -0.78 0.96 -2.84 1.01 0.00 0.00 176.35 174.69 1b3c s PRO 51 N 3.05 -2.32 0.22 1.29 0.02 -1.26 -4.75 135.00 131.25 1b3c s PRO 51 Ca 0.28 0.41 0.23 0.00 0.02 0.00 0.00 61.00 61.94 1b3c s PRO 51 Cb -0.13 -1.42 0.93 0.00 0.02 0.00 0.00 34.50 33.89 1b3c s PRO 51 CO 0.19 -4.54 1.69 -0.25 -0.33 0.00 0.00 177.00 173.76 1b3c n ASP 52 N -5.44 0.59 -0.06 2.53 8.00 -1.26 -2.23 116.55 118.68 1b3c n ASP 52 Ca 0.08 0.64 0.13 0.00 0.71 0.00 0.00 54.79 56.35 1b3c n ASP 52 Cb 0.58 -0.77 0.45 0.00 -0.02 0.00 0.00 41.12 41.36 1b3c n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b3c n SER 53 N -2.14 0.45 -4.92 -2.24 7.64 -1.26 -4.87 113.62 106.27 1b3c n SER 53 Ca 0.03 -0.25 -0.26 0.00 1.01 0.00 0.00 58.87 59.39 1b3c n SER 53 Cb 0.24 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.79 4.87 0.16 0.44 2.01 -0.95 -5.09 115.64 114.29 1b3c s THR 54 Ca 0.18 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1b3c s THR 54 Cb 0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1b3c s THR 54 CO 0.58 -0.73 0.34 -1.58 -0.69 0.00 0.00 174.62 172.53 1b3c s GLN 55 N -4.63 3.51 0.27 4.92 2.00 -1.26 -4.94 119.66 119.53 1b3c s GLN 55 Ca 0.46 -0.35 -0.19 0.00 -2.00 0.00 0.00 55.36 53.28 1b3c s GLN 55 Cb -0.10 -2.90 0.02 0.00 0.80 0.00 0.00 33.01 30.83 1b3c s GLN 55 CO 0.42 0.47 0.66 -0.08 -0.50 0.00 0.00 175.29 176.26 1b3c s THR 56 N -1.74 0.00 0.45 -0.34 -1.32 -1.26 -4.89 115.64 106.53 1b3c s THR 56 Ca 0.38 -1.07 -0.11 0.00 -1.21 0.00 0.00 61.69 59.69 1b3c s THR 56 Cb -0.12 -2.01 -0.06 0.00 -1.51 0.00 0.00 72.50 68.80 1b3c s THR 56 CO 0.28 -0.00 0.82 0.86 -2.21 0.00 0.00 174.62 174.36 1b3c s TRP 57 N -3.94 3.49 -0.38 9.09 -0.00 0.80 -3.05 118.94 124.96 1b3c s TRP 57 Ca 0.13 1.09 -0.18 0.00 -0.00 0.00 0.00 56.10 57.13 1b3c s TRP 57 Cb -0.05 -2.49 0.00 0.00 -0.00 0.00 0.00 33.47 30.94 1b3c s TRP 57 CO 0.07 -0.21 0.53 -1.25 -0.00 0.00 0.00 176.95 176.09 1b3c s PRO 58 N -4.10 3.49 -0.43 5.86 0.04 -1.26 -4.48 135.00 134.12 1b3c s PRO 58 Ca 0.52 -0.28 0.10 0.00 0.04 0.00 0.00 61.00 61.38 1b3c s PRO 58 Cb -0.10 -3.86 0.38 0.00 0.04 0.00 0.00 34.50 30.96 1b3c s PRO 58 CO 0.35 -0.74 0.88 -0.11 0.04 0.00 0.00 177.00 177.42 1b3c n LEU 59 N 5.82 2.47 -4.94 -3.56 0.00 -1.17 -5.09 117.00 110.52 1b3c n LEU 59 Ca -0.05 -4.99 -0.24 0.00 0.00 0.00 0.00 56.01 50.73 1b3c n LEU 59 Cb 0.48 0.16 0.04 0.00 0.00 0.00 0.00 43.42 44.11 1b3c n LEU 59 CO 0.47 2.17 0.50 -2.16 0.00 0.00 0.00 177.39 178.36 1b3c s PRO 60 N -2.99 2.56 0.45 1.96 0.04 -1.26 -4.92 135.00 130.84 1b3c s PRO 60 Ca 0.41 -0.35 0.14 0.00 0.04 0.00 0.00 61.00 61.24 1b3c s PRO 60 Cb 0.36 -2.32 1.07 0.00 0.04 0.00 0.00 34.50 33.65 1b3c s PRO 60 CO -0.09 -0.86 2.02 -0.97 0.04 0.00 0.00 177.00 177.14 1b3c h ASN 61 N -0.21 0.29 -5.33 6.66 -0.73 -1.98 -3.43 115.58 110.84 1b3c h ASN 61 Ca -0.44 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.60 1b3c h ASN 61 Cb 1.29 -0.06 -0.09 0.00 0.27 0.00 0.00 38.32 39.73 1b3c h ASN 61 CO 0.58 0.19 -0.15 -0.54 -0.37 0.00 0.00 177.43 177.13 1b3c s LYS 62 N -5.32 1.66 0.39 6.67 1.02 -1.26 -5.12 119.74 117.78 1b3c s LYS 62 Ca -0.07 -1.43 -0.27 0.00 0.02 0.00 0.00 55.97 54.21 1b3c s LYS 62 Cb 0.19 0.46 -0.11 0.00 -0.52 0.00 0.00 37.83 37.85 1b3c s LYS 62 CO 0.73 -0.69 1.38 2.41 -0.92 0.00 0.00 175.35 178.27 1b3c n THR 63 N -0.43 2.21 1.64 2.17 -1.04 -1.26 -5.01 114.28 112.57 1b3c n THR 63 Ca -0.01 -0.50 0.15 0.00 -2.04 0.00 0.00 64.05 61.65 1b3c n THR 63 Cb 0.62 -1.77 0.65 0.00 -1.82 0.00 0.00 70.33 68.01 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43