#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n LEU 10 N 0.00 3.06 -4.36 -1.84 4.32 -1.26 -4.86 117.00 112.06 3e1c n LEU 10 Ca 0.00 0.41 -0.32 0.00 -0.02 0.00 0.00 56.01 56.08 3e1c n LEU 10 Cb 0.00 -1.46 -0.15 0.00 -1.62 0.00 0.00 43.42 40.19 3e1c n LEU 10 CO 0.00 -2.26 -0.51 -1.10 -1.22 0.00 0.00 177.39 172.30 3e1c s GLN 11 N -4.58 2.51 -0.08 3.23 -0.21 -0.06 -4.97 119.66 115.49 3e1c s GLN 11 Ca 0.66 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 3e1c s GLN 11 Cb -0.23 -2.26 0.03 0.00 1.00 0.00 0.00 33.01 31.56 3e1c s GLN 11 CO 0.59 0.50 0.03 -1.21 -2.12 0.00 0.00 175.29 173.07 3e1c s GLU 12 N -0.43 0.38 0.01 2.91 2.02 -1.26 -1.29 118.70 121.04 3e1c s GLU 12 Ca 0.05 0.12 -0.08 0.00 0.02 0.00 0.00 54.97 55.07 3e1c s GLU 12 Cb -0.12 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.10 3e1c s GLU 12 CO 0.02 -0.37 0.16 0.21 0.02 0.00 0.00 175.26 175.30 3e1c s LYS 13 N 2.03 0.55 0.55 1.61 2.20 -0.28 -5.03 119.74 121.38 3e1c s LYS 13 Ca 0.04 -0.45 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 3e1c s LYS 13 Cb -0.13 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 3e1c s LYS 13 CO -0.05 -0.14 0.88 -0.48 -0.36 0.00 0.00 175.35 175.20 3e1c s LEU 14 N -1.57 3.38 0.00 5.43 -0.00 -1.26 -0.18 118.68 124.47 3e1c s LEU 14 Ca -0.12 0.93 0.00 0.00 -0.00 0.00 0.00 54.13 54.94 3e1c s LEU 14 Cb -0.06 -3.85 0.00 0.00 -0.00 0.00 0.00 46.19 42.29 3e1c s LEU 14 CO 0.00 -0.84 0.00 -0.38 -0.00 0.00 0.00 176.35 175.13 3e1c n ILE 15 N -2.49 0.00 -3.96 1.48 5.41 0.31 -4.89 119.36 115.21 3e1c n ILE 15 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.69 3e1c n ILE 15 Cb 0.56 -0.27 -0.08 0.00 -0.71 0.00 0.00 39.64 39.14 3e1c n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1c s ALA 16 N -1.42 0.07 -0.00 -1.39 0.00 -1.18 -5.03 121.76 112.81 3e1c s ALA 16 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 3e1c s ALA 16 Cb 0.00 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.85 3e1c s ALA 16 CO 0.00 -0.56 0.48 0.54 0.00 0.00 0.00 175.76 176.22 3e1c s VAL 17 N -3.94 0.04 -0.09 0.00 0.11 -1.26 -2.39 120.40 112.87 3e1c s VAL 17 Ca 0.13 -0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 3e1c s VAL 17 Cb 0.05 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 3e1c s VAL 17 CO -0.05 -0.16 0.47 0.20 -3.33 0.00 0.00 175.10 172.23 3e1c s ASN 18 N -1.53 6.71 0.25 3.54 -0.87 -1.26 -5.04 114.94 116.74 3e1c s ASN 18 Ca -0.10 0.85 0.17 0.00 -1.57 0.00 0.00 52.86 52.21 3e1c s ASN 18 Cb -0.02 -2.28 0.92 0.00 -0.02 0.00 0.00 41.25 39.85 3e1c s ASN 18 CO 0.04 0.06 1.53 -1.14 -2.57 0.00 0.00 177.10 175.02 3e1c n ARG 19 N 3.31 0.11 0.00 -0.60 0.63 -1.26 -4.73 116.66 114.12 3e1c n ARG 19 Ca -0.08 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 3e1c n ARG 19 Cb 0.52 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.57 3e1c n ARG 19 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 3e1c n VAL 20 N -2.10 0.00 -3.64 5.15 3.14 -1.26 -4.86 118.33 114.77 3e1c n VAL 20 Ca -0.01 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.32 3e1c n VAL 20 Cb 0.04 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.76 3e1c n VAL 20 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3e1c s SER 21 N 0.00 -0.82 0.03 6.55 1.04 -1.26 -1.34 113.70 117.90 3e1c s SER 21 Ca 0.00 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 3e1c s SER 21 Cb 0.00 1.40 -0.03 0.00 0.10 0.00 0.00 66.02 67.49 3e1c s SER 21 CO 0.00 -0.20 -0.03 -0.75 0.98 0.00 0.00 173.24 173.23 3e1c s LYS 22 N 1.65 0.41 0.70 4.02 2.20 0.46 -4.96 119.74 124.23 3e1c s LYS 22 Ca -0.09 -0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 54.57 3e1c s LYS 22 Cb -0.05 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 3e1c s LYS 22 CO -0.18 -0.06 0.50 0.25 -0.36 0.00 0.00 175.35 175.50 3e1c n THR 23 N 1.19 1.77 0.00 3.43 -2.24 -1.26 -0.31 114.28 116.86 3e1c n THR 23 Ca -0.21 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3e1c n THR 23 Cb 0.57 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 3e1c n THR 23 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3e1c n VAL 24 N -2.29 0.00 0.00 2.28 3.14 -1.26 -4.80 118.33 115.40 3e1c n VAL 24 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 3e1c n VAL 24 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 3e1c n VAL 24 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3e1c n LYS 25 N 0.00 0.00 0.00 1.45 4.81 -1.26 -4.81 118.16 118.35 3e1c n LYS 25 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3e1c n LYS 25 Cb 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 33.86 3e1c n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3e1c n GLY 26 N -0.87 1.85 0.00 3.14 0.00 -1.26 -5.13 105.19 102.92 3e1c n GLY 26 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3e1c n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1c n GLY 27 N 2.35 0.00 3.34 -0.02 0.00 -1.26 -4.85 105.19 104.75 3e1c n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3e1c n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3e1c s ARG 28 N 0.00 0.50 0.03 1.61 3.52 -1.26 -4.09 118.95 119.26 3e1c s ARG 28 Ca 0.00 0.73 0.08 0.00 -0.13 0.00 0.00 55.73 56.41 3e1c s ARG 28 Cb 0.00 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 3e1c s ARG 28 CO 0.00 -0.10 -0.24 0.96 -0.81 0.00 0.00 175.30 175.11 3e1c s ILE 29 N 0.73 2.28 0.04 4.11 -4.36 0.58 -4.97 121.20 119.61 3e1c s ILE 29 Ca -0.04 -1.26 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 3e1c s ILE 29 Cb -0.05 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 3e1c s ILE 29 CO -0.05 0.42 -0.19 0.72 0.24 0.00 0.00 174.94 176.08 3e1c s PHE 30 N -0.78 1.66 0.33 1.37 -0.71 -1.26 -0.40 117.98 118.19 3e1c s PHE 30 Ca 0.12 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 3e1c s PHE 30 Cb -0.10 -0.99 -0.01 0.00 -1.21 0.00 0.00 43.02 40.71 3e1c s PHE 30 CO 0.02 0.08 0.39 0.45 -1.34 0.00 0.00 175.22 174.81 3e1c s SER 31 N -1.15 1.14 -0.30 1.98 0.15 -0.45 -4.98 113.70 110.10 3e1c s SER 31 Ca 0.06 -1.57 -0.12 0.00 0.70 0.00 0.00 55.95 55.02 3e1c s SER 31 Cb -0.08 0.61 0.14 0.00 -1.71 0.00 0.00 66.02 64.97 3e1c s SER 31 CO 0.02 -1.19 0.75 -0.36 1.20 0.00 0.00 173.24 173.66 3e1c s PHE 32 N -3.26 -1.15 0.32 3.44 0.08 -1.26 -4.67 117.98 111.47 3e1c s PHE 32 Ca 0.35 2.00 0.03 0.00 0.12 0.00 0.00 56.93 59.43 3e1c s PHE 32 Cb 0.01 0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 43.11 3e1c s PHE 32 CO 0.22 -0.57 0.12 0.95 -0.10 0.00 0.00 175.22 175.84 3e1c s THR 33 N 2.75 0.61 0.28 0.64 -4.23 -1.26 -1.66 115.64 112.77 3e1c s THR 33 Ca -0.05 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.29 3e1c s THR 33 Cb -0.10 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3e1c s THR 33 CO -0.19 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.53 3e1c s ALA 34 N -3.51 -0.75 -0.12 3.99 0.00 -1.02 -4.75 121.76 115.60 3e1c s ALA 34 Ca 0.34 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 3e1c s ALA 34 Cb 0.06 0.92 0.06 0.00 0.00 0.00 0.00 23.12 24.15 3e1c s ALA 34 CO 0.16 -0.96 0.23 -1.17 0.00 0.00 0.00 175.76 174.01 3e1c s LEU 35 N -2.98 -0.23 0.10 0.00 1.98 -1.00 -3.09 118.68 113.45 3e1c s LEU 35 Ca 0.16 0.51 0.01 0.00 -2.89 0.00 0.00 54.13 51.92 3e1c s LEU 35 Cb -0.04 0.57 -0.04 0.00 0.66 0.00 0.00 46.19 47.34 3e1c s LEU 35 CO 0.09 -0.24 -0.05 0.42 -1.89 0.00 0.00 176.35 174.68 3e1c s THR 36 N 2.38 0.59 0.08 3.68 -4.23 -0.37 -0.53 115.64 117.23 3e1c s THR 36 Ca 0.02 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3e1c s THR 36 Cb -0.12 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3e1c s THR 36 CO -0.08 -0.83 -0.06 0.68 -0.54 0.00 0.00 174.62 173.79 3e1c s VAL 37 N -3.70 0.54 0.03 2.29 -7.23 0.74 -1.80 120.40 111.27 3e1c s VAL 37 Ca 0.13 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3e1c s VAL 37 Cb 0.06 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 3e1c s VAL 37 CO -0.04 -0.84 0.02 -0.69 -0.31 0.00 0.00 175.10 173.23 3e1c s VAL 38 N -3.40 0.13 0.05 1.32 1.01 -0.74 -1.12 120.40 117.65 3e1c s VAL 38 Ca 0.07 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 3e1c s VAL 38 Cb 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.75 3e1c s VAL 38 CO -0.05 -0.61 0.37 -0.83 0.00 0.00 0.00 175.10 173.97 3e1c s GLY 39 N -1.92 -0.21 -0.11 4.51 0.00 -0.41 -0.92 107.32 108.25 3e1c s GLY 39 Ca -0.08 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.83 3e1c s GLY 39 CO -0.03 -0.07 -0.18 -0.35 0.00 0.00 0.00 173.10 172.46 3e1c s ASP 40 N -2.07 3.58 0.57 1.64 3.68 -0.20 -0.89 116.67 122.99 3e1c s ASP 40 Ca -0.05 -0.43 0.31 0.00 2.13 0.00 0.00 52.55 54.52 3e1c s ASP 40 Cb -0.01 -1.46 1.45 0.00 -1.45 0.00 0.00 42.92 41.46 3e1c s ASP 40 CO -0.03 0.18 1.82 1.23 0.13 0.00 0.00 175.17 178.49 3e1c h GLY 41 N 6.61 0.00 -4.51 2.66 0.00 -1.81 -1.93 103.07 104.09 3e1c h GLY 41 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.78 3e1c h GLY 41 CO 0.51 0.00 1.08 -2.01 0.00 0.00 0.00 176.54 176.12 3e1c n ASN 42 N -3.92 5.56 -2.30 0.19 5.15 -1.26 -4.75 115.26 113.92 3e1c n ASN 42 Ca 0.16 -2.39 -0.20 0.00 -0.60 0.00 0.00 54.58 51.55 3e1c n ASN 42 Cb 0.95 -1.28 -0.01 0.00 -0.53 0.00 0.00 39.78 38.91 3e1c n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3e1c n GLY 43 N 2.96 -0.46 3.44 8.20 0.00 -1.10 -4.95 105.19 113.28 3e1c n GLY 43 Ca 0.48 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 3e1c n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1c s ARG 44 N -5.01 3.13 0.01 1.61 0.52 -0.75 -1.68 118.95 116.78 3e1c s ARG 44 Ca 0.00 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.48 3e1c s ARG 44 Cb -0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.87 3e1c s ARG 44 CO 0.00 0.38 0.17 0.14 0.02 0.00 0.00 175.30 176.01 3e1c s VAL 45 N -0.07 0.08 0.23 3.52 -7.23 -0.36 -1.03 120.40 115.55 3e1c s VAL 45 Ca -0.02 -0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 3e1c s VAL 45 Cb -0.14 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.27 3e1c s VAL 45 CO 0.03 -0.39 0.56 -0.83 -0.31 0.00 0.00 175.10 174.16 3e1c s GLY 46 N -1.50 0.12 0.26 2.32 0.00 -0.10 -1.55 107.32 106.87 3e1c s GLY 46 Ca -0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 3e1c s GLY 46 CO 0.01 -0.34 0.32 -0.11 0.00 0.00 0.00 173.10 172.98 3e1c s PHE 47 N -3.93 0.98 0.00 1.90 -0.00 -1.26 -1.80 117.98 113.87 3e1c s PHE 47 Ca 0.14 -1.20 0.00 0.00 -0.00 0.00 0.00 56.93 55.87 3e1c s PHE 47 Cb -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 43.02 42.74 3e1c s PHE 47 CO 0.04 -0.88 0.00 0.41 -0.00 0.00 0.00 175.22 174.79 3e1c n GLY 48 N -0.41 0.10 3.72 1.99 0.00 -0.74 -3.87 105.19 105.98 3e1c n GLY 48 Ca 0.01 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 3e1c n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3e1c s TYR 49 N -2.00 2.96 0.27 1.61 2.02 -1.26 -1.24 117.35 119.70 3e1c s TYR 49 Ca 0.00 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3e1c s TYR 49 Cb 0.00 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 3e1c s TYR 49 CO 0.00 0.52 0.29 0.20 -1.57 0.00 0.00 175.55 174.99 3e1c s GLY 50 N -3.04 1.53 0.05 0.71 0.00 -1.18 -4.15 107.32 101.23 3e1c s GLY 50 Ca 0.29 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.32 3e1c s GLY 50 CO 0.20 -1.21 0.13 1.25 0.00 0.00 0.00 173.10 173.47 3e1c s LYS 51 N -3.73 0.65 0.00 2.90 2.20 -1.26 -2.44 119.74 118.06 3e1c s LYS 51 Ca 0.35 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 3e1c s LYS 51 Cb 0.03 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3e1c s LYS 51 CO 0.17 -0.17 0.00 0.00 -0.36 0.00 0.00 175.35 174.99 3e1c n ALA 52 N 0.59 0.00 0.09 3.13 0.00 -0.66 -4.48 120.51 119.17 3e1c n ALA 52 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 3e1c n ALA 52 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 3e1c n ALA 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3e1c h ARG 53 N 0.00 0.00 -6.26 0.00 9.65 -1.95 -3.39 114.38 112.43 3e1c h ARG 53 Ca 0.00 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.25 3e1c h ARG 53 Cb 0.00 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 28.30 3e1c h ARG 53 CO 0.00 0.79 -0.86 -1.21 2.80 0.00 0.00 179.97 181.49 3e1c s GLU 54 N -2.80 1.66 0.07 0.20 2.02 -1.26 -4.91 118.70 113.68 3e1c s GLU 54 Ca 0.02 -0.90 -0.32 0.00 0.02 0.00 0.00 54.97 53.78 3e1c s GLU 54 Cb 0.09 -1.71 -0.19 0.00 0.10 0.00 0.00 34.13 32.43 3e1c s GLU 54 CO 0.79 0.45 1.61 0.28 0.02 0.00 0.00 175.26 178.42 3e1c h VAL 55 N 4.44 0.38 0.00 2.63 2.07 -1.92 -2.35 116.25 121.50 3e1c h VAL 55 Ca -0.42 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3e1c h VAL 55 Cb 1.14 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3e1c h VAL 55 CO 0.46 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 177.24 3e1c n PRO 56 N -5.45 0.05 0.06 1.57 -0.04 -1.26 -1.90 135.00 128.03 3e1c n PRO 56 Ca -0.13 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 3e1c n PRO 56 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 3e1c n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3e1c h ALA 57 N 2.38 0.45 -0.02 0.55 0.00 -1.90 -2.47 119.26 118.25 3e1c h ALA 57 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 54.91 53.82 3e1c h ALA 57 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3e1c h ALA 57 CO 0.00 1.18 -0.82 0.00 0.00 0.00 0.00 179.25 179.61 3e1c h ALA 58 N 1.09 0.57 -0.08 0.00 0.00 -0.85 -2.53 119.26 117.45 3e1c h ALA 58 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.22 3e1c h ALA 58 Cb 1.73 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3e1c h ALA 58 CO 0.11 0.85 -0.08 0.82 0.00 0.00 0.00 179.25 180.96 3e1c h ILE 59 N 0.15 0.78 -0.73 0.00 1.08 -1.56 -2.70 117.51 114.53 3e1c h ILE 59 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 3e1c h ILE 59 Cb 1.42 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3e1c h ILE 59 CO 0.13 0.00 0.44 1.56 -0.69 0.00 0.00 178.15 179.59 3e1c h GLN 60 N -0.09 0.98 0.00 2.37 4.20 -1.42 -0.66 115.11 120.49 3e1c h GLN 60 Ca 0.06 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 3e1c h GLN 60 Cb 0.18 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3e1c h GLN 60 CO -0.14 0.69 -0.38 -0.22 -0.67 0.00 0.00 178.83 178.11 3e1c h LYS 61 N 1.00 0.00 0.28 1.46 3.64 -1.43 -1.91 116.57 119.62 3e1c h LYS 61 Ca 0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3e1c h LYS 61 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3e1c h LYS 61 CO -0.05 0.38 -0.14 0.00 -2.27 0.00 0.00 179.45 177.37 3e1c h ALA 62 N 1.62 -0.43 -0.22 5.00 0.00 -1.17 -3.27 119.26 120.79 3e1c h ALA 62 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3e1c h ALA 62 Cb 0.87 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3e1c h ALA 62 CO 0.05 -0.40 0.15 0.52 0.00 0.00 0.00 179.25 179.57 3e1c h MET 63 N -0.96 0.26 -0.32 0.00 2.86 -1.11 -0.96 114.93 114.71 3e1c h MET 63 Ca -0.04 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3e1c h MET 63 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3e1c h MET 63 CO 0.06 0.17 0.02 1.49 1.06 0.00 0.00 176.91 179.72 3e1c h GLU 64 N 0.27 0.48 -0.18 1.72 4.57 -1.52 -2.21 114.58 117.71 3e1c h GLU 64 Ca 0.08 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 3e1c h GLU 64 Cb 0.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3e1c h GLU 64 CO -0.02 0.49 -0.57 -0.22 -1.18 0.00 0.00 179.01 177.51 3e1c h LYS 65 N 0.46 0.57 0.00 1.92 3.64 -1.36 -3.23 116.57 118.57 3e1c h LYS 65 Ca 0.10 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 3e1c h LYS 65 Cb 0.28 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3e1c h LYS 65 CO 0.01 0.98 -0.42 0.00 -2.27 0.00 0.00 179.45 177.75 3e1c h ALA 66 N 0.94 1.07 0.00 5.00 0.00 -0.90 -3.19 119.26 122.19 3e1c h ALA 66 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3e1c h ALA 66 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3e1c h ALA 66 CO 0.11 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.42 3e1c n ARG 67 N -3.70 0.06 -2.26 0.00 1.74 -0.86 -4.09 116.66 107.55 3e1c n ARG 67 Ca -0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 3e1c n ARG 67 Cb 0.50 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 3e1c n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3e1c s ARG 68 N -2.00 3.00 0.00 5.56 0.52 -1.21 -4.62 118.95 120.20 3e1c s ARG 68 Ca 0.02 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3e1c s ARG 68 Cb 0.01 -5.23 0.00 0.00 0.52 0.00 0.00 34.95 30.25 3e1c s ARG 68 CO 0.02 -3.01 0.00 0.09 0.02 0.00 0.00 175.30 172.42 3e1c n ASN 69 N 11.95 0.00 -2.46 0.23 4.13 -1.26 -4.74 115.26 123.10 3e1c n ASN 69 Ca 0.40 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.63 3e1c n ASN 69 Cb 0.48 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.70 3e1c n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3e1c n MET 70 N 0.00 -4.89 -1.66 3.52 2.81 -1.26 -4.92 117.12 110.72 3e1c n MET 70 Ca 0.00 3.61 -0.53 0.00 -1.81 0.00 0.00 57.70 58.97 3e1c n MET 70 Cb 0.00 -4.89 -0.06 0.00 -0.71 0.00 0.00 33.22 27.56 3e1c n MET 70 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 3e1c n ILE 71 N 1.76 0.22 -2.19 2.02 0.13 -0.59 -4.31 119.36 116.40 3e1c n ILE 71 Ca -0.22 -0.04 -0.38 0.00 -1.10 0.00 0.00 62.75 61.01 3e1c n ILE 71 Cb 0.34 -1.24 -0.03 0.00 -0.84 0.00 0.00 39.64 37.87 3e1c n ILE 71 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 3e1c s ASN 72 N 2.34 5.52 0.26 9.51 0.02 -1.26 -1.23 114.94 130.10 3e1c s ASN 72 Ca 0.91 0.01 -0.30 0.00 -1.02 0.00 0.00 52.86 52.46 3e1c s ASN 72 Cb -0.93 -2.54 -0.10 0.00 0.02 0.00 0.00 41.25 37.71 3e1c s ASN 72 CO 0.54 -2.24 1.32 -0.69 0.02 0.00 0.00 177.10 176.05 3e1c s VAL 73 N 8.19 2.96 -1.01 1.60 1.01 -0.67 -4.94 120.40 127.54 3e1c s VAL 73 Ca 0.59 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 3e1c s VAL 73 Cb -0.11 -3.55 -0.22 0.00 0.00 0.00 0.00 36.38 32.51 3e1c s VAL 73 CO 0.17 0.16 2.08 0.00 0.00 0.00 0.00 175.10 177.51 3e1c n ALA 74 N 1.91 0.21 -3.61 5.51 0.00 -1.26 -4.91 120.51 118.35 3e1c n ALA 74 Ca 0.04 -2.10 -0.35 0.00 0.00 0.00 0.00 53.44 51.02 3e1c n ALA 74 Cb 0.42 -3.19 -0.13 0.00 0.00 0.00 0.00 19.45 16.55 3e1c n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3e1c s LEU 75 N 16.40 4.23 -0.44 0.00 1.43 -1.26 -4.31 118.68 134.72 3e1c s LEU 75 Ca 0.79 -1.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3e1c s LEU 75 Cb -0.06 -1.76 0.15 0.00 0.03 0.00 0.00 46.19 44.56 3e1c s LEU 75 CO 0.17 -0.32 0.30 0.21 0.23 0.00 0.00 176.35 176.94 3e1c s ASN 76 N 1.38 2.87 0.00 2.29 2.47 -0.81 -4.86 114.94 118.28 3e1c s ASN 76 Ca -0.02 -2.81 0.00 0.00 0.42 0.00 0.00 52.86 50.45 3e1c s ASN 76 Cb -0.20 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 38.86 3e1c s ASN 76 CO -0.01 -0.22 0.00 -3.20 -3.72 0.00 0.00 177.10 169.94 3e1c n ASN 77 N 3.25 1.71 0.02 -4.21 2.85 -1.26 -4.60 115.26 113.02 3e1c n ASN 77 Ca 0.18 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.76 3e1c n ASN 77 Cb 0.40 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.42 3e1c n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3e1c n GLY 78 N 3.01 -1.16 0.00 8.20 0.00 -1.26 -4.96 105.19 109.02 3e1c n GLY 78 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3e1c n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3e1c n THR 79 N -1.84 0.00 -4.17 2.61 5.66 -1.26 -1.87 114.28 113.41 3e1c n THR 79 Ca 0.02 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.87 3e1c n THR 79 Cb 0.41 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.08 3e1c n THR 79 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3e1c s LEU 80 N 0.00 2.37 0.01 1.09 2.34 -1.26 -1.92 118.68 121.31 3e1c s LEU 80 Ca 0.00 -0.76 0.22 0.00 0.06 0.00 0.00 54.13 53.65 3e1c s LEU 80 Cb 0.00 -0.34 -0.25 0.00 -0.56 0.00 0.00 46.19 45.04 3e1c s LEU 80 CO 0.00 -0.22 0.65 0.00 -1.06 0.00 0.00 176.35 175.72 3e1c n GLN 81 N 0.74 0.56 -3.82 1.48 0.00 -1.26 -4.86 117.38 110.22 3e1c n GLN 81 Ca -0.17 -0.12 -0.13 0.00 0.00 0.00 0.00 57.00 56.58 3e1c n GLN 81 Cb 0.57 -1.57 -0.14 0.00 0.00 0.00 0.00 30.24 29.10 3e1c n GLN 81 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 3e1c s HIS 82 N -3.42 -0.06 -0.95 2.61 -3.43 -1.26 -5.09 115.29 103.69 3e1c s HIS 82 Ca -0.04 0.19 -0.22 0.00 -0.80 0.00 0.00 55.06 54.18 3e1c s HIS 82 Cb 0.14 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.30 3e1c s HIS 82 CO 0.88 -0.06 1.34 -1.25 -2.00 0.00 0.00 174.74 173.64 3e1c s PRO 83 N 0.42 3.53 0.24 -0.38 0.04 -1.26 -5.01 135.00 132.57 3e1c s PRO 83 Ca -0.03 -1.16 -0.29 0.00 0.04 0.00 0.00 61.00 59.56 3e1c s PRO 83 Cb -0.05 -5.08 -0.15 0.00 0.04 0.00 0.00 34.50 29.26 3e1c s PRO 83 CO -0.01 -2.09 0.95 1.55 0.04 0.00 0.00 177.00 177.44 3e1c n VAL 84 N 6.48 1.74 -1.88 -0.36 3.14 -1.26 -4.94 118.33 121.25 3e1c n VAL 84 Ca 0.26 -0.44 -0.41 0.00 -2.96 0.00 0.00 64.34 60.79 3e1c n VAL 84 Cb 0.50 -0.76 -0.03 0.00 -1.06 0.00 0.00 33.84 32.49 3e1c n VAL 84 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3e1c s LYS 85 N -1.19 2.99 -1.42 1.45 -2.85 -1.26 -4.64 119.74 112.82 3e1c s LYS 85 Ca 0.63 1.37 -0.08 0.00 -1.00 0.00 0.00 55.97 56.89 3e1c s LYS 85 Cb -0.78 -4.32 -0.02 0.00 -2.06 0.00 0.00 37.83 30.65 3e1c s LYS 85 CO 0.58 -2.27 2.79 0.41 0.10 0.00 0.00 175.35 176.96 3e1c n GLY 86 N 5.62 4.54 3.67 0.59 0.00 -0.52 -4.32 105.19 114.77 3e1c n GLY 86 Ca 0.25 -1.69 -0.51 0.00 0.00 0.00 0.00 46.02 44.08 3e1c n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3e1c n VAL 87 N 2.81 0.25 -4.07 1.61 0.24 -1.26 -1.42 118.33 116.49 3e1c n VAL 87 Ca 0.71 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.84 3e1c n VAL 87 Cb 0.28 -1.42 -0.05 0.00 -1.47 0.00 0.00 33.84 31.18 3e1c n VAL 87 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3e1c s HIS 88 N 2.38 0.86 0.46 6.34 3.76 -0.66 -4.82 115.29 123.60 3e1c s HIS 88 Ca 0.89 -1.13 0.19 0.00 -0.15 0.00 0.00 55.06 54.85 3e1c s HIS 88 Cb -0.83 -0.04 1.17 0.00 1.11 0.00 0.00 32.58 33.99 3e1c s HIS 88 CO 0.50 -1.05 1.94 0.00 -0.85 0.00 0.00 174.74 175.29 3e1c h THR 89 N 2.20 0.77 0.00 1.30 1.03 -1.94 -3.33 112.91 112.95 3e1c h THR 89 Ca -0.29 -0.10 -0.06 0.00 -0.01 0.00 0.00 66.41 65.96 3e1c h THR 89 Cb 1.24 0.47 -0.06 0.00 -1.07 0.00 0.00 68.15 68.74 3e1c h THR 89 CO 0.39 0.05 -0.11 0.61 -0.01 0.00 0.00 175.52 176.45 3e1c n GLY 90 N -1.56 0.06 0.14 2.99 0.00 -1.26 -5.11 105.19 100.45 3e1c n GLY 90 Ca 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3e1c n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3e1c h SER 91 N 0.19 0.70 0.00 1.61 4.64 -1.86 -3.44 113.55 115.39 3e1c h SER 91 Ca -0.21 -0.93 -0.05 0.00 -0.47 0.00 0.00 61.79 60.13 3e1c h SER 91 Cb 0.99 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3e1c h SER 91 CO -0.10 1.69 -0.38 -0.09 -0.87 0.00 0.00 176.83 177.08 3e1c h ARG 92 N 0.03 0.00 -5.02 4.77 9.65 -1.89 -1.33 114.38 120.59 3e1c h ARG 92 Ca -0.27 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.28 3e1c h ARG 92 Cb 2.05 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 30.47 3e1c h ARG 92 CO 0.21 0.54 -0.73 0.54 2.80 0.00 0.00 179.97 183.34 3e1c s VAL 93 N -2.07 1.03 -0.16 0.20 0.11 -0.50 -1.66 120.40 117.34 3e1c s VAL 93 Ca -0.15 -1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 57.10 3e1c s VAL 93 Cb 0.01 -1.54 0.04 0.00 -1.53 0.00 0.00 36.38 33.36 3e1c s VAL 93 CO 0.39 -0.62 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.15 3e1c s PHE 94 N -2.74 1.55 1.01 1.54 0.08 -1.26 -1.43 117.98 116.73 3e1c s PHE 94 Ca 0.09 -1.00 -0.11 0.00 0.12 0.00 0.00 56.93 56.03 3e1c s PHE 94 Cb -0.01 -1.24 0.20 0.00 -0.57 0.00 0.00 43.02 41.40 3e1c s PHE 94 CO 0.00 -0.60 1.09 -1.64 -0.10 0.00 0.00 175.22 173.98 3e1c s MET 95 N 1.68 0.26 -0.26 0.44 -1.94 -1.26 -4.96 119.30 113.26 3e1c s MET 95 Ca 0.01 1.18 0.01 0.00 -1.71 0.00 0.00 55.69 55.18 3e1c s MET 95 Cb -0.15 -1.67 0.07 0.00 2.01 0.00 0.00 34.83 35.09 3e1c s MET 95 CO -0.07 -3.03 -0.03 -1.14 -0.01 0.00 0.00 175.02 170.73 3e1c s GLN 96 N -4.60 1.61 0.91 2.03 0.74 0.17 -4.79 119.66 115.73 3e1c s GLN 96 Ca 0.67 -1.17 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 3e1c s GLN 96 Cb -0.23 -2.66 -0.02 0.00 1.10 0.00 0.00 33.01 31.20 3e1c s GLN 96 CO 0.61 -0.67 0.17 -2.30 -0.55 0.00 0.00 175.29 172.54 3e1c n PRO 97 N 4.60 -0.12 -4.15 1.67 -0.02 -1.26 -1.56 135.00 134.16 3e1c n PRO 97 Ca -0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.24 3e1c n PRO 97 Cb 0.43 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.14 3e1c n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3e1c s ALA 98 N -2.22 0.99 -0.74 3.55 0.00 -1.26 -4.77 121.76 117.32 3e1c s ALA 98 Ca 0.55 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3e1c s ALA 98 Cb -0.24 -0.00 -0.17 0.00 0.00 0.00 0.00 23.12 22.71 3e1c s ALA 98 CO 0.69 0.02 1.90 0.45 0.00 0.00 0.00 175.76 178.83 3e1c n SER 99 N 0.99 2.43 -3.82 0.00 2.88 -1.26 -4.76 113.62 110.08 3e1c n SER 99 Ca -0.19 -2.67 -0.31 0.00 -1.33 0.00 0.00 58.87 54.37 3e1c n SER 99 Cb 0.56 -1.10 0.01 0.00 -0.75 0.00 0.00 64.21 62.93 3e1c n SER 99 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3e1c n GLU 100 N 7.14 -1.07 0.00 -1.46 2.13 -1.26 -4.63 120.64 121.49 3e1c n GLU 100 Ca 0.49 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.87 3e1c n GLU 100 Cb 0.41 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.33 3e1c n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3e1c n GLY 101 N -1.81 0.00 0.00 8.31 0.00 -1.26 -5.00 105.19 105.43 3e1c n GLY 101 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3e1c n GLY 101 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3e1c n THR 102 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.15 114.28 116.14 3e1c n THR 102 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3e1c n THR 102 Cb 0.00 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 3e1c n THR 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3e1c n GLY 103 N 0.85 1.68 2.55 1.09 0.00 -1.16 -4.88 105.19 105.32 3e1c n GLY 103 Ca 0.00 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3e1c n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3e1c n ILE 104 N 1.40 5.50 0.53 -0.61 3.06 -0.68 -3.38 119.36 125.18 3e1c n ILE 104 Ca 0.00 -4.89 0.00 0.00 -2.50 0.00 0.00 62.75 55.36 3e1c n ILE 104 Cb 0.00 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 38.26 3e1c n ILE 104 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3e1c n ILE 105 N 1.20 0.26 -2.02 9.51 5.41 -1.07 -4.87 119.36 127.79 3e1c n ILE 105 Ca 0.56 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 64.01 3e1c n ILE 105 Cb 0.26 -0.51 0.03 0.00 -0.71 0.00 0.00 39.64 38.70 3e1c n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3e1c s ALA 106 N -0.28 3.08 -0.77 -1.39 0.00 -1.24 -4.41 121.76 116.75 3e1c s ALA 106 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 3e1c s ALA 106 Cb 0.00 -2.95 -0.21 0.00 0.00 0.00 0.00 23.12 19.96 3e1c s ALA 106 CO 0.00 -0.84 1.87 0.41 0.00 0.00 0.00 175.76 177.21 3e1c n GLY 107 N -2.78 -0.38 0.34 0.00 0.00 -0.80 -4.79 105.19 96.79 3e1c n GLY 107 Ca 0.06 0.47 0.19 0.00 0.00 0.00 0.00 46.02 46.73 3e1c n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3e1c h GLY 108 N 8.85 0.00 0.29 -0.02 0.00 -1.93 0.11 103.07 110.38 3e1c h GLY 108 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3e1c h GLY 108 CO 1.15 0.00 0.70 0.00 0.00 0.00 0.00 176.54 178.39 3e1c h ALA 109 N 1.70 2.32 0.00 3.60 0.00 -2.00 -3.32 119.26 121.57 3e1c h ALA 109 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e1c h ALA 109 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3e1c h ALA 109 CO -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 179.25 178.25 3e1c n MET 110 N -3.46 2.04 -0.35 0.00 -0.00 -0.18 -4.60 117.12 110.57 3e1c n MET 110 Ca 0.12 0.00 0.32 0.00 -0.00 0.00 0.00 57.70 58.13 3e1c n MET 110 Cb 0.90 -0.18 0.56 0.00 -0.00 0.00 0.00 33.22 34.51 3e1c n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3e1c n ARG 111 N -0.03 -0.04 0.01 3.17 0.63 0.21 -1.02 116.66 119.59 3e1c n ARG 111 Ca 0.00 1.19 0.22 0.00 -0.92 0.00 0.00 57.85 58.34 3e1c n ARG 111 Cb 0.00 -2.22 0.63 0.00 0.45 0.00 0.00 32.46 31.31 3e1c n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3e1c h ALA 112 N 1.64 2.36 0.00 5.13 0.00 -1.88 0.04 119.26 126.55 3e1c h ALA 112 Ca 0.77 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.66 3e1c h ALA 112 Cb 2.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.08 3e1c h ALA 112 CO -0.58 -1.03 -0.01 -0.39 0.00 0.00 0.00 179.25 177.24 3e1c h VAL 113 N 0.00 0.18 0.00 0.00 -1.51 -1.48 -2.99 116.25 110.44 3e1c h VAL 113 Ca 0.28 -0.12 -0.11 0.00 -1.23 0.00 0.00 66.70 65.53 3e1c h VAL 113 Cb 1.73 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.96 3e1c h VAL 113 CO -0.00 0.01 -1.40 0.18 -1.23 0.00 0.00 177.57 175.13 3e1c n LEU 114 N -3.31 0.74 -0.29 4.19 4.77 -0.03 -4.77 117.00 118.29 3e1c n LEU 114 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3e1c n LEU 114 Cb 0.12 0.04 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 3e1c n LEU 114 CO 0.23 0.26 1.26 -0.08 -1.33 0.00 0.00 177.39 177.74 3e1c h GLU 115 N 0.00 1.11 0.00 3.23 4.81 -1.53 -3.12 114.58 119.07 3e1c h GLU 115 Ca -0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3e1c h GLU 115 Cb 1.33 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3e1c h GLU 115 CO 0.00 0.73 0.00 -0.39 -0.73 0.00 0.00 179.01 178.62 3e1c h VAL 116 N 1.14 0.00 -0.01 0.32 -1.51 -1.81 -2.38 116.25 112.00 3e1c h VAL 116 Ca 0.33 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 3e1c h VAL 116 Cb -0.06 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3e1c h VAL 116 CO -0.09 0.00 -0.66 0.00 -1.23 0.00 0.00 177.57 175.60 3e1c n ALA 117 N -2.05 3.98 0.00 5.19 0.00 -1.25 -4.25 120.51 122.13 3e1c n ALA 117 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3e1c n ALA 117 Cb 0.21 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3e1c n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1c n GLY 118 N 1.45 0.40 3.60 0.00 0.00 -0.89 -4.31 105.19 105.43 3e1c n GLY 118 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 3e1c n GLY 118 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3e1c n VAL 119 N -1.96 0.45 0.10 1.61 0.31 -1.18 -4.90 118.33 112.76 3e1c n VAL 119 Ca 0.00 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 3e1c n VAL 119 Cb 0.00 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 30.80 3e1c n VAL 119 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3e1c h HIS 120 N 11.97 0.00 -3.00 3.52 -0.00 -1.92 -3.44 115.15 122.29 3e1c h HIS 120 Ca -0.42 0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 59.35 3e1c h HIS 120 Cb 1.27 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 28.28 3e1c h HIS 120 CO 0.93 0.76 -0.76 -0.80 -0.00 0.00 0.00 177.93 178.06 3e1c s ASN 121 N -6.61 3.70 -0.27 2.45 0.01 -0.78 -1.68 114.94 111.76 3e1c s ASN 121 Ca 0.02 -2.25 -0.25 0.00 -0.71 0.00 0.00 52.86 49.67 3e1c s ASN 121 Cb 0.09 -0.91 0.08 0.00 0.41 0.00 0.00 41.25 40.92 3e1c s ASN 121 CO 0.78 -0.32 0.75 0.54 -1.51 0.00 0.00 177.10 177.34 3e1c s VAL 122 N 0.86 0.00 0.31 1.60 0.11 -1.22 -4.01 120.40 118.05 3e1c s VAL 122 Ca 0.15 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.26 3e1c s VAL 122 Cb -0.22 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 3e1c s VAL 122 CO -0.08 0.00 0.23 0.00 -3.33 0.00 0.00 175.10 171.92 3e1c n LEU 123 N 2.60 0.00 0.00 2.54 -0.00 -0.60 -2.59 117.00 118.94 3e1c n LEU 123 Ca -0.14 -2.79 0.00 0.00 -0.00 0.00 0.00 56.01 53.08 3e1c n LEU 123 Cb 0.55 1.37 0.00 0.00 -0.00 0.00 0.00 43.42 45.34 3e1c n LEU 123 CO 0.03 -0.46 0.00 0.00 -0.00 0.00 0.00 177.39 176.97 3e1c n ALA 124 N -1.04 0.00 -1.97 1.47 0.00 -1.26 -0.65 120.51 117.06 3e1c n ALA 124 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 3e1c n ALA 124 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.04 3e1c n ALA 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3e1c s LYS 125 N -4.82 2.28 -1.06 0.00 -2.85 -1.26 -1.90 119.74 110.13 3e1c s LYS 125 Ca 0.00 -0.72 -0.10 0.00 -1.00 0.00 0.00 55.97 54.15 3e1c s LYS 125 Cb 0.00 -2.38 -0.07 0.00 -2.06 0.00 0.00 37.83 33.32 3e1c s LYS 125 CO 0.00 -0.99 2.25 0.00 0.10 0.00 0.00 175.35 176.70 3e1c n ALA 126 N -2.59 5.08 -0.10 0.59 0.00 -1.26 -4.84 120.51 117.39 3e1c n ALA 126 Ca 0.09 -2.63 0.07 0.00 0.00 0.00 0.00 53.44 50.97 3e1c n ALA 126 Cb 0.60 -3.21 0.13 0.00 0.00 0.00 0.00 19.45 16.97 3e1c n ALA 126 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3e1c n TYR 127 N 4.76 0.26 -0.15 0.00 4.19 -1.26 -2.69 117.16 122.27 3e1c n TYR 127 Ca 0.52 0.36 0.00 0.00 3.31 0.00 0.00 57.90 62.09 3e1c n TYR 127 Cb 0.21 -0.77 0.00 0.00 0.49 0.00 0.00 39.34 39.27 3e1c n TYR 127 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3e1c n GLY 128 N -1.12 -0.06 3.45 2.98 0.00 -0.50 -4.96 105.19 104.97 3e1c n GLY 128 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3e1c n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3e1c s SER 129 N -0.32 -0.68 -0.22 1.61 0.15 -1.10 -4.76 113.70 108.39 3e1c s SER 129 Ca 0.00 1.17 0.09 0.00 0.70 0.00 0.00 55.95 57.90 3e1c s SER 129 Cb 0.00 1.08 0.60 0.00 -1.71 0.00 0.00 66.02 65.99 3e1c s SER 129 CO 0.00 -0.21 1.52 0.41 1.20 0.00 0.00 173.24 176.16 3e1c n THR 130 N 3.81 2.26 -3.58 6.45 -1.04 -1.26 -4.74 114.28 116.18 3e1c n THR 130 Ca -0.19 -1.17 -0.40 0.00 -2.04 0.00 0.00 64.05 60.24 3e1c n THR 130 Cb 0.57 -0.40 -0.11 0.00 -1.82 0.00 0.00 70.33 68.56 3e1c n THR 130 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3e1c s ASN 131 N -0.63 5.80 0.29 8.00 2.47 -1.26 -5.02 114.94 124.59 3e1c s ASN 131 Ca 0.42 -0.72 0.03 0.00 0.42 0.00 0.00 52.86 53.01 3e1c s ASN 131 Cb 0.33 -2.06 0.61 0.00 -1.45 0.00 0.00 41.25 38.68 3e1c s ASN 131 CO 0.11 -0.30 1.83 -0.65 -3.72 0.00 0.00 177.10 174.36 3e1c h PRO 132 N 8.45 0.91 -0.98 0.43 0.11 -1.88 -1.87 132.00 137.17 3e1c h PRO 132 Ca -0.29 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.93 3e1c h PRO 132 Cb 1.13 -0.21 -0.09 0.00 0.11 0.00 0.00 31.00 31.94 3e1c h PRO 132 CO 0.65 0.60 0.61 0.82 -0.21 0.00 0.00 178.00 180.48 3e1c h ILE 133 N 0.94 0.77 0.34 4.15 1.08 -1.95 0.31 117.51 123.14 3e1c h ILE 133 Ca 0.51 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 3e1c h ILE 133 Cb 0.58 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3e1c h ILE 133 CO -0.29 0.14 -0.16 -1.13 -0.69 0.00 0.00 178.15 176.02 3e1c h ASN 134 N 0.77 -0.39 0.97 1.72 -0.73 -1.73 -1.28 115.58 114.91 3e1c h ASN 134 Ca 0.53 -0.16 -0.09 0.00 1.87 0.00 0.00 56.30 58.45 3e1c h ASN 134 Cb 0.81 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 3e1c h ASN 134 CO -0.30 0.00 -0.41 1.62 -0.37 0.00 0.00 177.43 177.97 3e1c h VAL 135 N -0.83 0.89 0.08 2.57 3.04 -1.50 -3.05 116.25 117.45 3e1c h VAL 135 Ca -0.05 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 63.96 3e1c h VAL 135 Cb 0.53 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3e1c h VAL 135 CO 0.08 0.40 -0.19 0.58 -1.01 0.00 0.00 177.57 177.43 3e1c h VAL 136 N 0.00 0.00 -0.13 1.51 2.07 -1.04 -2.54 116.25 116.13 3e1c h VAL 136 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3e1c h VAL 136 Cb 1.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3e1c h VAL 136 CO 0.05 0.00 0.18 0.03 0.02 0.00 0.00 177.57 177.86 3e1c h ARG 137 N -0.30 0.00 0.09 1.57 3.08 -1.26 -1.88 114.38 115.69 3e1c h ARG 137 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3e1c h ARG 137 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3e1c h ARG 137 CO -0.08 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.78 3e1c h ALA 138 N 1.75 -0.12 -0.05 0.04 0.00 -1.62 -3.38 119.26 115.87 3e1c h ALA 138 Ca 0.06 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3e1c h ALA 138 Cb 0.43 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3e1c h ALA 138 CO -0.00 -0.15 -0.21 1.79 0.00 0.00 0.00 179.25 180.68 3e1c h THR 139 N -0.96 0.50 -0.70 0.00 1.35 -0.89 -3.05 112.91 109.17 3e1c h THR 139 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 3e1c h THR 139 Cb 0.47 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 3e1c h THR 139 CO 0.02 0.00 0.36 0.40 -0.25 0.00 0.00 175.52 176.05 3e1c h ILE 140 N -0.30 1.22 0.00 6.82 5.03 -1.73 0.40 117.51 128.95 3e1c h ILE 140 Ca 0.08 -0.57 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 3e1c h ILE 140 Cb 0.41 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 3e1c h ILE 140 CO -0.23 0.25 0.00 0.47 -0.68 0.00 0.00 178.15 177.96 3e1c n ASP 141 N -4.35 0.57 0.01 1.72 8.00 -1.21 -1.93 116.55 119.36 3e1c n ASP 141 Ca 0.07 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.97 3e1c n ASP 141 Cb 0.12 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 3e1c n ASP 141 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3e1c h GLY 142 N 2.96 0.29 0.93 0.44 0.00 -0.84 -3.30 103.07 103.54 3e1c h GLY 142 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 47.33 46.69 3e1c h GLY 142 CO 0.00 0.64 0.49 1.41 0.00 0.00 0.00 176.54 179.08 3e1c h LEU 143 N -0.34 0.63 -1.39 3.11 3.38 -1.03 -1.12 115.31 118.55 3e1c h LEU 143 Ca -0.26 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3e1c h LEU 143 Cb 1.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3e1c h LEU 143 CO 0.07 0.38 -0.29 1.05 0.09 0.00 0.00 178.44 179.74 3e1c h GLU 144 N 0.70 0.00 -0.00 1.13 -0.00 -1.56 -3.29 114.58 111.56 3e1c h GLU 144 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.70 3e1c h GLU 144 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 3e1c h GLU 144 CO -0.12 0.29 -0.02 -1.71 -0.00 0.00 0.00 179.01 177.46 3e1c n ASN 145 N -3.89 0.36 -4.14 3.06 2.85 -0.43 -4.97 115.26 108.09 3e1c n ASN 145 Ca -0.02 -0.93 -0.29 0.00 -0.11 0.00 0.00 54.58 53.23 3e1c n ASN 145 Cb 0.37 -0.04 0.25 0.00 1.24 0.00 0.00 39.78 41.60 3e1c n ASN 145 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 3e1c s MET 146 N -2.14 -1.40 -0.04 1.20 -1.94 -1.20 -5.09 119.30 108.70 3e1c s MET 146 Ca 0.41 0.45 0.01 0.00 -1.71 0.00 0.00 55.69 54.85 3e1c s MET 146 Cb 0.21 -1.53 0.02 0.00 2.01 0.00 0.00 34.83 35.54 3e1c s MET 146 CO 0.39 -3.94 -0.04 -0.80 -0.01 0.00 0.00 175.02 170.62 3e1c s ASN 147 N -3.01 0.82 0.50 3.03 0.02 -1.26 -5.08 114.94 109.95 3e1c s ASN 147 Ca 0.68 -0.11 -0.19 0.00 -1.02 0.00 0.00 52.86 52.22 3e1c s ASN 147 Cb -0.19 -0.39 -0.13 0.00 0.02 0.00 0.00 41.25 40.56 3e1c s ASN 147 CO 0.61 -0.05 0.21 -0.24 0.02 0.00 0.00 177.10 177.64 3e1c n SER 148 N 3.99 -2.32 -0.51 -1.22 2.88 -1.26 -4.84 113.62 110.34 3e1c n SER 148 Ca -0.25 0.74 0.42 0.00 -1.33 0.00 0.00 58.87 58.45 3e1c n SER 148 Cb 0.51 -0.99 0.73 0.00 -0.75 0.00 0.00 64.21 63.70 3e1c n SER 148 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3e1c h PRO 149 N 0.24 0.05 0.08 -1.46 0.11 -2.01 -2.53 132.00 126.48 3e1c h PRO 149 Ca -0.42 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.44 3e1c h PRO 149 Cb 1.43 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.52 3e1c h PRO 149 CO 0.46 0.03 -1.15 0.93 -0.21 0.00 0.00 178.00 178.06 3e1c h GLU 150 N 0.05 0.17 -0.06 1.05 4.39 -2.02 -3.31 114.58 114.85 3e1c h GLU 150 Ca 0.81 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 60.21 3e1c h GLU 150 Cb 2.91 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 31.67 3e1c h GLU 150 CO -0.19 1.14 -0.00 0.52 -1.16 0.00 0.00 179.01 179.32 3e1c h MET 151 N 0.05 0.12 -0.50 2.33 2.86 -1.82 -3.35 114.93 114.62 3e1c h MET 151 Ca -0.09 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3e1c h MET 151 Cb 1.89 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.52 3e1c h MET 151 CO 0.18 0.40 0.33 -0.39 1.06 0.00 0.00 176.91 178.48 3e1c h VAL 152 N -0.18 1.10 -0.53 -2.22 -1.51 -1.66 -1.14 116.25 110.10 3e1c h VAL 152 Ca 0.02 -0.21 0.11 0.00 -1.23 0.00 0.00 66.70 65.38 3e1c h VAL 152 Cb 0.35 0.41 -0.10 0.00 -2.13 0.00 0.00 31.29 29.82 3e1c h VAL 152 CO 0.00 0.11 -0.12 0.00 -1.23 0.00 0.00 177.57 176.34 3e1c h ALA 153 N 1.70 0.37 0.05 5.19 0.00 -1.71 -2.18 119.26 122.68 3e1c h ALA 153 Ca 0.19 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3e1c h ALA 153 Cb -0.00 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3e1c h ALA 153 CO -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 3e1c h ALA 154 N 1.53 -0.07 -1.51 0.00 0.00 -1.51 -2.17 119.26 115.53 3e1c h ALA 154 Ca 0.26 -0.23 0.50 0.00 0.00 0.00 0.00 54.91 55.44 3e1c h ALA 154 Cb 0.40 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 3e1c h ALA 154 CO -0.54 -0.30 1.00 0.87 0.00 0.00 0.00 179.25 180.27 3e1c h LYS 155 N -0.53 0.01 -0.13 0.00 1.57 -1.22 -1.06 116.57 115.21 3e1c h LYS 155 Ca -0.01 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3e1c h LYS 155 Cb 0.48 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3e1c h LYS 155 CO 0.01 0.00 -0.34 2.89 -0.57 0.00 0.00 179.45 181.45 3e1c n ARG 156 N -4.57 1.68 0.00 3.15 -4.01 -0.82 -5.04 116.66 107.04 3e1c n ARG 156 Ca 0.41 -3.25 0.00 0.00 -1.04 0.00 0.00 57.85 53.97 3e1c n ARG 156 Cb 1.66 -1.69 0.00 0.00 -3.04 0.00 0.00 32.46 29.39 3e1c n ARG 156 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3e1c n GLY 157 N -1.13 -0.70 0.00 2.89 0.00 -0.40 -5.02 105.19 100.84 3e1c n GLY 157 Ca 0.24 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3e1c n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49