#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dos s ASP 2 N 0.00 6.27 -0.00 0.00 -0.00 -1.26 -5.09 116.67 116.58 3dos s ASP 2 Ca 0.00 0.30 0.04 0.00 -0.00 0.00 0.00 52.55 52.89 3dos s ASP 2 Cb 0.00 -2.17 -0.03 0.00 -0.00 0.00 0.00 42.92 40.71 3dos s ASP 2 CO 0.00 -0.04 -0.12 -0.76 -0.00 0.00 0.00 175.17 174.25 3dos s LEU 3 N 1.36 2.91 0.20 1.23 1.43 -1.26 -5.13 118.68 119.42 3dos s LEU 3 Ca 0.13 -0.23 0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3dos s LEU 3 Cb -0.14 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3dos s LEU 3 CO 0.07 0.29 -0.21 0.42 0.23 0.00 0.00 176.35 177.15 3dos s THR 4 N -0.91 2.49 0.19 5.49 -4.23 -1.26 -5.15 115.64 112.26 3dos s THR 4 Ca 0.15 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3dos s THR 4 Cb -0.11 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 3dos s THR 4 CO 0.05 -0.14 0.29 0.00 -0.54 0.00 0.00 174.62 174.28 3dos s ALA 5 N -1.75 0.19 0.05 3.99 0.00 -1.26 -5.19 121.76 117.80 3dos s ALA 5 Ca 0.22 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3dos s ALA 5 Cb -0.08 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3dos s ALA 5 CO 0.11 -0.67 -0.03 -1.54 0.00 0.00 0.00 175.76 173.63 3dos s SER 6 N -3.01 0.51 -0.17 0.00 1.04 -1.26 -5.16 113.70 105.64 3dos s SER 6 Ca 0.22 -0.94 -0.21 0.00 0.48 0.00 0.00 55.95 55.51 3dos s SER 6 Cb 0.03 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.39 3dos s SER 6 CO 0.04 -0.55 0.57 0.12 0.98 0.00 0.00 173.24 174.39 3dos s PHE 7 N -3.57 -0.59 -0.53 5.02 5.36 -1.26 -5.12 117.98 117.29 3dos s PHE 7 Ca 0.04 1.36 -0.22 0.00 -0.96 0.00 0.00 56.93 57.16 3dos s PHE 7 Cb 0.05 0.23 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 3dos s PHE 7 CO -0.08 -0.36 0.78 0.99 -1.46 0.00 0.00 175.22 175.09 3dos s THR 8 N -0.06 4.63 0.44 0.12 2.01 -1.26 -5.05 115.64 116.47 3dos s THR 8 Ca -0.03 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 3dos s THR 8 Cb -0.04 -4.42 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 3dos s THR 8 CO 0.02 -0.96 0.97 0.68 -0.69 0.00 0.00 174.62 174.65 3dos s VAL 9 N 3.28 4.23 0.10 3.82 -7.23 -1.26 -5.07 120.40 118.27 3dos s VAL 9 Ca 0.22 1.42 0.03 0.00 -1.81 0.00 0.00 61.98 61.84 3dos s VAL 9 Cb -0.16 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 3dos s VAL 9 CO 0.15 -0.27 -0.08 0.42 -0.31 0.00 0.00 175.10 175.01 3dos s THR 10 N -2.09 0.83 -0.01 5.32 -4.23 -1.26 -5.16 115.64 109.03 3dos s THR 10 Ca 0.62 -1.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.21 3dos s THR 10 Cb -0.11 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.29 3dos s THR 10 CO 0.15 -0.69 0.38 0.00 -0.54 0.00 0.00 174.62 173.92 3dos s ALA 11 N -2.91 -0.95 -0.16 3.99 0.00 -1.26 -5.15 121.76 115.31 3dos s ALA 11 Ca 0.08 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 3dos s ALA 11 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 3dos s ALA 11 CO -0.02 -0.31 -0.07 0.99 0.00 0.00 0.00 175.76 176.35 3dos s THR 12 N -1.51 3.50 -0.10 0.00 2.01 -1.26 -5.12 115.64 113.16 3dos s THR 12 Ca -0.12 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 3dos s THR 12 Cb -0.04 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3dos s THR 12 CO 0.04 0.49 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.68 3dos s LEU 13 N 0.59 3.46 -0.02 4.42 1.43 -1.26 -5.12 118.68 122.18 3dos s LEU 13 Ca -0.04 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3dos s LEU 13 Cb -0.15 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 3dos s LEU 13 CO 0.03 0.34 -0.24 0.68 0.23 0.00 0.00 176.35 177.38 3dos s VAL 14 N -0.64 1.91 -0.38 -1.59 -7.23 -1.26 -5.11 120.40 106.10 3dos s VAL 14 Ca 0.10 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.10 3dos s VAL 14 Cb -0.12 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.24 3dos s VAL 14 CO 0.02 0.54 0.27 -0.70 -0.31 0.00 0.00 175.10 174.92 3dos s GLU 15 N -0.54 3.19 0.86 4.82 2.56 -1.26 -5.10 118.70 123.24 3dos s GLU 15 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 54.97 54.08 3dos s GLU 15 Cb -0.10 -3.90 0.11 0.00 2.00 0.00 0.00 34.13 32.24 3dos s GLU 15 CO -0.01 -0.62 1.09 -2.14 -0.56 0.00 0.00 175.26 173.03 3dos s PRO 16 N 1.70 1.54 -0.40 4.30 0.02 -1.26 -5.03 135.00 135.87 3dos s PRO 16 Ca 0.05 0.85 -0.15 0.00 0.02 0.00 0.00 61.00 61.78 3dos s PRO 16 Cb -0.18 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.51 3dos s PRO 16 CO 0.10 -2.05 0.30 0.00 -0.33 0.00 0.00 177.00 175.02 3dos s ALA 17 N -2.96 3.48 -0.17 -1.55 0.00 -1.26 -5.05 121.76 114.26 3dos s ALA 17 Ca 0.63 -1.64 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 3dos s ALA 17 Cb -0.17 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3dos s ALA 17 CO 0.56 -1.39 -0.01 1.03 0.00 0.00 0.00 175.76 175.96 3dos s ARG 18 N 1.73 3.74 -0.08 0.00 0.52 -1.26 -5.08 118.95 118.52 3dos s ARG 18 Ca 0.06 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 3dos s ARG 18 Cb -0.19 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.30 3dos s ARG 18 CO 0.10 0.22 -0.11 0.42 0.02 0.00 0.00 175.30 175.96 3dos s ILE 19 N 0.44 1.13 0.33 1.52 -1.09 -1.26 -2.71 121.20 119.55 3dos s ILE 19 Ca -0.02 -0.44 0.07 0.00 -2.23 0.00 0.00 60.65 58.03 3dos s ILE 19 Cb -0.14 -1.06 -0.07 0.00 -1.58 0.00 0.00 42.46 39.62 3dos s ILE 19 CO 0.02 0.36 -0.02 0.42 -1.23 0.00 0.00 174.94 174.50 3dos s THR 20 N 0.96 1.73 -0.27 2.92 -4.23 -0.54 -4.97 115.64 111.24 3dos s THR 20 Ca -0.09 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 3dos s THR 20 Cb -0.15 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.08 3dos s THR 20 CO 0.00 -0.14 0.64 -0.22 -0.54 0.00 0.00 174.62 174.36 3dos s LEU 21 N -3.55 -0.92 -0.12 4.79 2.96 -1.25 -1.69 118.68 118.89 3dos s LEU 21 Ca 0.33 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.70 3dos s LEU 21 Cb 0.06 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.96 3dos s LEU 21 CO 0.15 -0.23 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.93 3dos s THR 22 N 2.07 3.05 -0.23 3.68 2.01 0.18 -4.95 115.64 121.46 3dos s THR 22 Ca -0.08 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.19 3dos s THR 22 Cb -0.08 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3dos s THR 22 CO -0.19 0.53 0.03 -0.47 -0.69 0.00 0.00 174.62 173.83 3dos s TYR 23 N 0.28 3.06 -0.32 4.92 5.04 -1.26 -0.52 117.35 128.55 3dos s TYR 23 Ca -0.10 -0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.02 3dos s TYR 23 Cb -0.16 -2.16 0.04 0.00 0.35 0.00 0.00 41.96 40.04 3dos s TYR 23 CO 0.05 -0.31 0.06 0.21 -1.34 0.00 0.00 175.55 174.23 3dos s LYS 24 N 1.32 2.53 0.18 4.97 2.20 0.29 -4.97 119.74 126.26 3dos s LYS 24 Ca 0.04 -1.23 -0.32 0.00 -0.36 0.00 0.00 55.97 54.11 3dos s LYS 24 Cb -0.15 -3.35 -0.16 0.00 -1.51 0.00 0.00 37.83 32.67 3dos s LYS 24 CO 0.02 -0.65 1.08 0.39 -0.36 0.00 0.00 175.35 175.83 3dos n GLU 25 N 4.73 1.02 -2.51 4.03 1.02 -1.26 -0.54 120.64 127.12 3dos n GLU 25 Ca -0.13 0.36 -0.25 0.00 -0.02 0.00 0.00 57.16 57.13 3dos n GLU 25 Cb 0.44 -1.80 0.13 0.00 -0.02 0.00 0.00 31.44 30.19 3dos n GLU 25 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dos s GLY 26 N -0.16 1.76 0.77 0.62 0.00 0.24 -4.83 107.32 105.71 3dos s GLY 26 Ca 0.71 -1.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 3dos s GLY 26 CO 0.54 -1.12 0.07 0.00 0.00 0.00 0.00 173.10 172.59 3dos n ALA 27 N -3.02 -2.88 -1.37 3.20 0.00 -1.26 -4.92 120.51 110.26 3dos n ALA 27 Ca 0.16 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 3dos n ALA 27 Cb 0.61 -1.59 0.08 0.00 0.00 0.00 0.00 19.45 18.54 3dos n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dos s PRO 28 N -2.32 2.48 -0.12 0.00 0.04 -1.26 -4.92 135.00 128.90 3dos s PRO 28 Ca 0.57 1.09 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3dos s PRO 28 Cb -0.33 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3dos s PRO 28 CO 0.66 -1.46 0.12 0.42 0.04 0.00 0.00 177.00 176.79 3dos s ILE 29 N -2.95 5.34 -0.26 0.56 1.09 -1.26 -5.09 121.20 118.63 3dos s ILE 29 Ca 0.60 0.15 -0.08 0.00 -1.10 0.00 0.00 60.65 60.22 3dos s ILE 29 Cb -0.16 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.89 3dos s ILE 29 CO 0.56 0.61 0.09 0.42 -0.10 0.00 0.00 174.94 176.52 3dos s THR 30 N -0.94 4.44 0.34 2.92 -4.23 -1.26 -5.09 115.64 111.82 3dos s THR 30 Ca 0.14 -0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.21 3dos s THR 30 Cb -0.12 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 3dos s THR 30 CO 0.03 0.30 1.19 -0.63 -0.54 0.00 0.00 174.62 174.98 3dos s ILE 31 N 1.63 3.11 -2.63 2.99 1.01 -1.26 -4.17 121.20 121.87 3dos s ILE 31 Ca 0.06 1.04 0.21 0.00 0.00 0.00 0.00 60.65 61.96 3dos s ILE 31 Cb -0.15 -3.63 0.17 0.00 0.01 0.00 0.00 42.46 38.85 3dos s ILE 31 CO 0.05 0.19 1.17 0.23 0.00 0.00 0.00 174.94 176.58 3dos n MET 32 N 0.64 1.92 0.00 2.79 2.81 -0.65 -4.97 117.12 119.66 3dos n MET 32 Ca 0.01 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 3dos n MET 32 Cb 0.44 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3dos n MET 32 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dos n ASP 33 N 1.18 0.00 -0.37 7.83 8.00 -1.26 -4.84 116.55 127.09 3dos n ASP 33 Ca 0.12 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.76 3dos n ASP 33 Cb 0.53 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.09 3dos n ASP 33 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3dos n ASN 34 N 0.14 1.27 0.00 -2.24 0.23 -1.26 -4.92 115.26 108.48 3dos n ASN 34 Ca 0.00 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 3dos n ASN 34 Cb 0.00 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3dos n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dos n GLY 35 N 1.24 0.69 3.90 4.83 0.00 -1.26 -4.82 105.19 109.78 3dos n GLY 35 Ca 0.16 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3dos n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dos s ASN 36 N -2.26 6.47 0.17 1.61 -0.87 -1.26 -2.23 114.94 116.57 3dos s ASN 36 Ca 0.00 0.78 0.04 0.00 -1.57 0.00 0.00 52.86 52.11 3dos s ASN 36 Cb 0.00 -2.17 -0.04 0.00 -0.02 0.00 0.00 41.25 39.02 3dos s ASN 36 CO 0.00 -0.21 0.25 0.27 -2.57 0.00 0.00 177.10 174.84 3dos s ILE 37 N -2.09 5.03 0.64 0.60 -4.36 -1.26 -1.64 121.20 118.11 3dos s ILE 37 Ca 0.45 -0.89 -0.16 0.00 -0.26 0.00 0.00 60.65 59.79 3dos s ILE 37 Cb -0.11 -3.62 -0.01 0.00 1.25 0.00 0.00 42.46 39.98 3dos s ILE 37 CO 0.29 -0.15 1.14 -0.62 0.24 0.00 0.00 174.94 175.84 3dos s ASP 38 N -3.36 5.09 0.45 4.36 3.68 -1.26 -4.99 116.67 120.64 3dos s ASP 38 Ca 0.33 2.12 -0.08 0.00 2.13 0.00 0.00 52.55 57.05 3dos s ASP 38 Cb -0.10 -2.57 -0.05 0.00 -1.45 0.00 0.00 42.92 38.75 3dos s ASP 38 CO 0.27 -1.65 0.79 0.28 0.13 0.00 0.00 175.17 174.99 3dos s THR 39 N -2.12 4.84 -2.03 1.71 -1.32 -1.26 -4.07 115.64 111.39 3dos s THR 39 Ca 0.70 0.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.62 3dos s THR 39 Cb -0.23 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 66.96 3dos s THR 39 CO 0.39 -0.70 0.00 -0.62 -2.21 0.00 0.00 174.62 171.47 3dos n GLU 40 N -1.81 -1.52 -1.95 7.08 -0.58 -1.02 -4.92 120.64 115.92 3dos n GLU 40 Ca 0.02 1.14 -0.42 0.00 -0.42 0.00 0.00 57.16 57.47 3dos n GLU 40 Cb 0.54 -5.62 -0.03 0.00 -0.57 0.00 0.00 31.44 25.77 3dos n GLU 40 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dos s LEU 41 N -5.18 4.17 -0.83 -4.62 1.43 -1.26 -4.77 118.68 107.62 3dos s LEU 41 Ca 0.00 2.13 -0.25 0.00 -1.03 0.00 0.00 54.13 54.98 3dos s LEU 41 Cb 0.00 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 3dos s LEU 41 CO 0.00 -1.11 2.15 -0.22 0.23 0.00 0.00 176.35 177.40 3dos s LEU 42 N 4.72 3.05 0.21 1.79 2.96 -1.26 -2.11 118.68 128.05 3dos s LEU 42 Ca 0.77 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.32 3dos s LEU 42 Cb -0.33 -2.55 0.18 0.00 0.50 0.00 0.00 46.19 43.99 3dos s LEU 42 CO 0.32 -3.21 1.88 0.58 -1.32 0.00 0.00 176.35 174.61 3dos h VAL 43 N 7.44 1.19 -1.69 1.68 2.07 -1.39 -3.37 116.25 122.17 3dos h VAL 43 Ca 0.03 -0.36 0.27 0.00 0.82 0.00 0.00 66.70 67.46 3dos h VAL 43 Cb 1.02 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.71 3dos h VAL 43 CO 1.12 0.19 0.73 -0.83 0.02 0.00 0.00 177.57 178.81 3dos s GLY 44 N -2.92 -0.36 -0.12 2.17 0.00 -1.20 -0.59 107.32 104.29 3dos s GLY 44 Ca -0.13 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.35 3dos s GLY 44 CO 0.78 0.18 -0.17 -1.59 0.00 0.00 0.00 173.10 172.30 3dos s THR 45 N -2.65 1.68 -0.20 0.90 2.01 0.30 -1.26 115.64 116.41 3dos s THR 45 Ca 0.12 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 3dos s THR 45 Cb 0.02 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 3dos s THR 45 CO -0.03 0.48 0.13 -0.76 -0.69 0.00 0.00 174.62 173.75 3dos s LEU 46 N 0.92 4.19 -0.27 4.42 1.43 0.57 -0.55 118.68 129.40 3dos s LEU 46 Ca -0.07 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3dos s LEU 46 Cb -0.15 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3dos s LEU 46 CO -0.01 0.17 -0.01 -0.89 0.23 0.00 0.00 176.35 175.84 3dos s THR 47 N 0.42 3.26 -0.12 5.49 2.01 0.32 -0.61 115.64 126.40 3dos s THR 47 Ca 0.08 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.93 3dos s THR 47 Cb -0.11 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3dos s THR 47 CO -0.01 0.12 0.51 -0.22 -0.69 0.00 0.00 174.62 174.33 3dos s LEU 48 N 1.38 4.26 0.00 4.42 2.96 -0.44 -0.64 118.68 130.61 3dos s LEU 48 Ca 0.00 0.84 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 3dos s LEU 48 Cb -0.17 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 3dos s LEU 48 CO -0.02 -0.04 0.25 0.61 -1.32 0.00 0.00 176.35 175.83 3dos n GLY 49 N 3.34 3.02 2.46 7.98 0.00 -0.68 -1.19 105.19 120.10 3dos n GLY 49 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3dos n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dos n GLY 50 N -0.53 2.68 3.61 -0.02 0.00 -1.22 -1.46 105.19 108.24 3dos n GLY 50 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3dos n GLY 50 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dos n TYR 51 N 0.00 0.46 -2.74 1.61 0.18 -1.10 -4.41 117.16 111.15 3dos n TYR 51 Ca 0.00 0.37 -0.37 0.00 1.88 0.00 0.00 57.90 59.78 3dos n TYR 51 Cb 0.00 -2.00 -0.06 0.00 -0.38 0.00 0.00 39.34 36.90 3dos n TYR 51 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3dos s LYS 52 N -4.00 4.56 0.22 -3.48 2.20 -1.26 -4.77 119.74 113.21 3dos s LYS 52 Ca 0.68 1.37 -0.31 0.00 -0.36 0.00 0.00 55.97 57.35 3dos s LYS 52 Cb -0.27 -2.81 -0.11 0.00 -1.51 0.00 0.00 37.83 33.14 3dos s LYS 52 CO 0.56 0.24 1.57 0.99 -0.36 0.00 0.00 175.35 178.35 3dos s THR 53 N -1.59 2.41 0.00 3.43 2.01 -1.26 -1.77 115.64 118.88 3dos s THR 53 Ca 0.50 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.82 3dos s THR 53 Cb -0.20 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3dos s THR 53 CO 0.25 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 3dos n GLY 54 N 3.05 2.31 3.63 4.40 0.00 -1.26 -5.08 105.19 112.24 3dos n GLY 54 Ca 0.11 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 3dos n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dos n THR 55 N -0.53 0.85 -3.89 2.61 -1.04 -0.73 -4.77 114.28 106.79 3dos n THR 55 Ca 0.00 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 61.58 3dos n THR 55 Cb 0.00 -1.23 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 3dos n THR 55 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dos s THR 56 N -0.04 3.48 0.28 12.58 -4.23 -1.26 -0.24 115.64 126.20 3dos s THR 56 Ca 0.71 -1.44 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 3dos s THR 56 Cb -0.73 -3.15 0.08 0.00 1.34 0.00 0.00 72.50 70.03 3dos s THR 56 CO 0.50 -0.19 1.74 0.77 -0.54 0.00 0.00 174.62 176.91 3dos h SER 57 N 1.32 0.00 0.69 3.99 4.64 -0.97 -2.67 113.55 120.54 3dos h SER 57 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dos h SER 57 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dos h SER 57 CO 0.59 0.44 -0.03 0.35 -0.87 0.00 0.00 176.83 177.31 3dos n THR 58 N -3.80 0.00 1.74 2.95 -2.24 -1.26 -3.29 114.28 108.37 3dos n THR 58 Ca -0.01 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 3dos n THR 58 Cb 0.50 -0.43 0.71 0.00 -2.10 0.00 0.00 70.33 69.01 3dos n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dos n SER 59 N -1.33 0.77 -4.29 3.42 3.41 -1.01 -4.79 113.62 109.80 3dos n SER 59 Ca 0.12 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.12 3dos n SER 59 Cb 0.28 -0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.07 3dos n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dos s VAL 60 N -1.99 2.64 -0.10 -3.33 1.01 -1.21 -0.19 120.40 117.23 3dos s VAL 60 Ca 0.42 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3dos s VAL 60 Cb 0.21 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.54 3dos s VAL 60 CO 0.34 0.53 0.06 0.21 0.00 0.00 0.00 175.10 176.24 3dos s ASN 61 N 0.55 1.75 -0.28 3.32 2.47 -0.12 -1.04 114.94 121.59 3dos s ASN 61 Ca -0.10 -0.25 -0.18 0.00 0.42 0.00 0.00 52.86 52.75 3dos s ASN 61 Cb -0.16 -0.26 -0.02 0.00 -1.45 0.00 0.00 41.25 39.36 3dos s ASN 61 CO 0.04 -0.28 0.54 -0.36 -3.72 0.00 0.00 177.10 173.32 3dos s PHE 62 N 2.10 3.24 0.11 0.43 0.40 -0.39 -0.76 117.98 123.11 3dos s PHE 62 Ca 0.04 0.56 0.10 0.00 -0.60 0.00 0.00 56.93 57.02 3dos s PHE 62 Cb -0.14 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 3dos s PHE 62 CO -0.06 -0.36 -0.25 0.95 0.70 0.00 0.00 175.22 176.21 3dos s THR 63 N 2.38 2.04 0.14 0.64 -4.23 0.12 0.63 115.64 117.38 3dos s THR 63 Ca 0.22 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 3dos s THR 63 Cb -0.15 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3dos s THR 63 CO 0.10 0.07 0.05 1.51 -0.54 0.00 0.00 174.62 175.81 3dos s ASP 64 N -1.90 0.45 0.41 3.99 1.47 -1.26 -0.60 116.67 119.22 3dos s ASP 64 Ca 0.11 -1.22 0.17 0.00 1.18 0.00 0.00 52.55 52.80 3dos s ASP 64 Cb -0.10 0.27 1.07 0.00 -0.34 0.00 0.00 42.92 43.83 3dos s ASP 64 CO 0.05 -0.71 1.82 0.00 0.68 0.00 0.00 175.17 177.01 3dos h ALA 65 N 2.81 2.20 -0.79 2.11 0.00 -1.96 -2.03 119.26 121.60 3dos h ALA 65 Ca -0.35 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3dos h ALA 65 Cb 1.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3dos h ALA 65 CO 0.59 -0.53 0.43 0.00 0.00 0.00 0.00 179.25 179.74 3dos h ALA 66 N 1.61 1.01 -0.67 0.00 0.00 -1.96 -3.46 119.26 115.79 3dos h ALA 66 Ca 0.52 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 3dos h ALA 66 Cb 1.29 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3dos h ALA 66 CO -0.22 0.52 -0.23 0.41 0.00 0.00 0.00 179.25 179.73 3dos n GLY 67 N -1.10 1.18 3.60 0.00 0.00 -0.77 -4.98 105.19 103.12 3dos n GLY 67 Ca 0.07 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3dos n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dos s ASP 68 N -2.84 6.04 0.13 1.61 2.15 -1.26 -4.93 116.67 117.57 3dos s ASP 68 Ca 0.00 1.22 -0.35 0.00 0.43 0.00 0.00 52.55 53.85 3dos s ASP 68 Cb 0.00 -2.53 -0.15 0.00 -0.30 0.00 0.00 42.92 39.94 3dos s ASP 68 CO 0.00 -1.61 1.45 -2.65 -0.17 0.00 0.00 175.17 172.19 3dos n PRO 69 N 8.29 1.68 0.00 4.34 -0.02 -1.26 -1.98 135.00 146.04 3dos n PRO 69 Ca 0.21 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3dos n PRO 69 Cb 0.47 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3dos n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dos n MET 70 N 2.89 0.00 -4.32 -0.52 2.81 0.50 -4.98 117.12 113.50 3dos n MET 70 Ca 0.17 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.88 3dos n MET 70 Cb 0.25 -0.67 -0.14 0.00 -0.71 0.00 0.00 33.22 31.95 3dos n MET 70 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dos s TYR 71 N -2.23 0.96 -0.04 2.03 1.51 -0.84 -4.55 117.35 114.19 3dos s TYR 71 Ca 0.00 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3dos s TYR 71 Cb 0.00 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 3dos s TYR 71 CO 0.00 -0.00 0.18 -0.51 -1.11 0.00 0.00 175.55 174.11 3dos s LEU 72 N -0.78 4.38 -0.16 -1.29 1.43 -0.51 -4.36 118.68 117.39 3dos s LEU 72 Ca 0.01 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3dos s LEU 72 Cb -0.06 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3dos s LEU 72 CO 0.00 0.30 -0.18 -0.89 0.23 0.00 0.00 176.35 175.82 3dos s THR 73 N -1.24 2.33 -0.14 5.49 2.01 -1.26 0.20 115.64 123.03 3dos s THR 73 Ca 0.24 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 3dos s THR 73 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3dos s THR 73 CO 0.14 0.53 0.07 -0.36 -0.69 0.00 0.00 174.62 174.31 3dos s PHE 74 N 0.99 3.34 -0.01 4.92 0.40 0.43 -4.64 117.98 123.40 3dos s PHE 74 Ca -0.02 0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 3dos s PHE 74 Cb -0.15 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 3dos s PHE 74 CO -0.04 0.41 -0.23 0.99 0.70 0.00 0.00 175.22 177.05 3dos s THR 75 N -0.36 1.82 0.40 0.64 2.01 -0.64 -1.17 115.64 118.34 3dos s THR 75 Ca 0.09 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 3dos s THR 75 Cb -0.12 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 3dos s THR 75 CO 0.02 0.50 1.35 -0.94 -0.69 0.00 0.00 174.62 174.86 3dos s SER 76 N -0.58 6.31 -0.15 3.53 1.04 -0.30 0.11 113.70 123.67 3dos s SER 76 Ca 0.09 2.76 0.06 0.00 0.48 0.00 0.00 55.95 59.34 3dos s SER 76 Cb -0.09 -2.65 0.42 0.00 0.10 0.00 0.00 66.02 63.80 3dos s SER 76 CO -0.01 -0.86 1.23 1.67 0.98 0.00 0.00 173.24 176.25 3dos n GLN 77 N 0.23 2.80 -0.08 4.02 7.27 0.13 -4.49 117.38 127.25 3dos n GLN 77 Ca 0.03 -1.65 -0.09 0.00 0.07 0.00 0.00 57.00 55.36 3dos n GLN 77 Cb 0.42 -1.85 -0.03 0.00 2.41 0.00 0.00 30.24 31.19 3dos n GLN 77 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3dos n ASP 78 N 0.19 1.86 0.00 1.69 5.75 -1.26 -5.02 116.55 119.77 3dos n ASP 78 Ca 0.18 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 3dos n ASP 78 Cb 0.83 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3dos n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dos n GLY 79 N 1.53 0.67 0.07 6.12 0.00 -1.26 -5.03 105.19 107.29 3dos n GLY 79 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3dos n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dos n ASN 80 N 0.00 0.43 -3.58 1.61 3.02 -1.26 -4.98 115.26 110.50 3dos n ASN 80 Ca 0.00 -0.26 -0.22 0.00 -0.03 0.00 0.00 54.58 54.07 3dos n ASN 80 Cb 0.00 -0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.19 3dos n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dos n ASN 81 N -1.22 -3.84 -4.75 6.41 5.15 -1.26 -4.99 115.26 110.76 3dos n ASN 81 Ca 0.10 -0.64 -0.40 0.00 -0.60 0.00 0.00 54.58 53.04 3dos n ASN 81 Cb 0.32 -4.81 -0.06 0.00 -0.53 0.00 0.00 39.78 34.70 3dos n ASN 81 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3dos s HIS 82 N -3.38 3.96 0.07 1.20 3.76 -1.26 -4.85 115.29 114.79 3dos s HIS 82 Ca 0.29 1.90 0.06 0.00 -0.15 0.00 0.00 55.06 57.16 3dos s HIS 82 Cb -0.13 -3.00 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 3dos s HIS 82 CO 0.75 0.41 -0.15 -0.65 -0.85 0.00 0.00 174.74 174.25 3dos s GLN 83 N -1.10 0.89 0.04 1.40 -0.21 -1.26 -1.15 119.66 118.28 3dos s GLN 83 Ca 0.42 -0.94 -0.05 0.00 0.02 0.00 0.00 55.36 54.81 3dos s GLN 83 Cb -0.26 -0.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.79 3dos s GLN 83 CO 0.32 0.22 0.07 -0.59 -2.12 0.00 0.00 175.29 173.19 3dos s PHE 84 N -1.16 0.26 0.14 0.91 -0.12 -0.32 -4.67 117.98 113.03 3dos s PHE 84 Ca 0.00 -0.63 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 3dos s PHE 84 Cb -0.09 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3dos s PHE 84 CO 0.02 -0.38 0.16 0.95 -0.05 0.00 0.00 175.22 175.93 3dos s THR 85 N -2.93 4.74 0.30 -4.49 -4.23 -1.01 -0.43 115.64 107.60 3dos s THR 85 Ca -0.02 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3dos s THR 85 Cb 0.01 -3.40 -0.06 0.00 1.34 0.00 0.00 72.50 70.39 3dos s THR 85 CO -0.06 -0.05 0.05 0.42 -0.54 0.00 0.00 174.62 174.45 3dos s THR 86 N -1.67 1.08 0.23 3.99 -4.23 0.13 -1.12 115.64 114.05 3dos s THR 86 Ca 0.32 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 58.93 3dos s THR 86 Cb -0.11 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 3dos s THR 86 CO 0.25 -0.05 -0.22 -1.59 -0.54 0.00 0.00 174.62 172.47 3dos s LYS 87 N -3.91 1.57 -0.23 3.99 -2.85 0.14 -1.42 119.74 117.04 3dos s LYS 87 Ca 0.36 -1.62 -0.02 0.00 -1.00 0.00 0.00 55.97 53.69 3dos s LYS 87 Cb 0.08 -1.79 0.02 0.00 -2.06 0.00 0.00 37.83 34.07 3dos s LYS 87 CO 0.14 0.37 -0.08 0.08 0.10 0.00 0.00 175.35 175.96 3dos s VAL 88 N -2.03 2.83 0.07 1.79 1.01 -1.26 -0.99 120.40 121.82 3dos s VAL 88 Ca 0.24 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3dos s VAL 88 Cb -0.07 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3dos s VAL 88 CO 0.12 0.31 0.05 0.27 0.00 0.00 0.00 175.10 175.85 3dos s ILE 89 N 1.35 0.18 0.16 2.22 -4.36 -0.70 -4.20 121.20 115.84 3dos s ILE 89 Ca 0.02 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3dos s ILE 89 Cb -0.15 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 42.01 3dos s ILE 89 CO -0.06 -0.82 0.25 0.61 0.24 0.00 0.00 174.94 175.16 3dos n GLY 90 N 0.03 2.35 3.31 6.27 0.00 0.14 0.05 105.19 117.34 3dos n GLY 90 Ca -0.13 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 3dos n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dos s LYS 91 N -2.25 1.41 0.00 1.61 -0.14 -1.26 -1.42 119.74 117.69 3dos s LYS 91 Ca 0.11 -1.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 3dos s LYS 91 Cb -0.01 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 3dos s LYS 91 CO 0.08 0.41 0.00 -0.40 -0.76 0.00 0.00 175.35 174.68 3dos n ASP 92 N 1.43 0.00 0.00 2.83 5.75 -0.78 -4.91 116.55 120.88 3dos n ASP 92 Ca -0.18 -0.88 0.09 0.00 -0.01 0.00 0.00 54.79 53.82 3dos n ASP 92 Cb 0.53 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.06 3dos n ASP 92 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dos n SER 93 N -2.63 0.00 -0.49 -1.12 3.41 -1.26 -2.23 113.62 109.30 3dos n SER 93 Ca 0.00 0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 3dos n SER 93 Cb 0.00 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 63.69 3dos n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dos n ARG 94 N -1.36 2.11 -1.37 4.33 1.74 -1.26 -4.96 116.66 115.89 3dos n ARG 94 Ca 0.07 -1.69 -0.13 0.00 -0.77 0.00 0.00 57.85 55.33 3dos n ARG 94 Cb 0.17 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 3dos n ARG 94 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dos n ASP 95 N 0.41 -5.16 -4.78 0.55 2.03 -0.95 -5.00 116.55 103.64 3dos n ASP 95 Ca 0.08 0.31 -0.32 0.00 0.52 0.00 0.00 54.79 55.39 3dos n ASP 95 Cb 0.35 -3.78 0.06 0.00 -0.72 0.00 0.00 41.12 37.03 3dos n ASP 95 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3dos s PHE 96 N -2.26 2.75 -0.19 -0.67 0.40 -1.26 -4.79 117.98 111.96 3dos s PHE 96 Ca 0.00 1.52 -0.22 0.00 -0.60 0.00 0.00 56.93 57.63 3dos s PHE 96 Cb 0.00 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.47 3dos s PHE 96 CO 0.00 -1.57 0.68 -0.51 0.70 0.00 0.00 175.22 174.51 3dos s ASP 97 N -3.23 6.74 0.07 1.36 1.01 -1.26 -1.86 116.67 119.51 3dos s ASP 97 Ca 0.62 0.91 0.07 0.00 0.71 0.00 0.00 52.55 54.86 3dos s ASP 97 Cb -0.17 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3dos s ASP 97 CO 0.50 -0.30 -0.18 0.27 0.21 0.00 0.00 175.17 175.67 3dos s ILE 98 N 1.98 1.45 0.03 0.77 -4.36 -0.51 -3.97 121.20 116.59 3dos s ILE 98 Ca 0.31 -1.33 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 3dos s ILE 98 Cb -0.16 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 3dos s ILE 98 CO 0.11 -0.04 -0.07 -0.94 0.24 0.00 0.00 174.94 174.23 3dos s SER 99 N -1.60 0.81 0.96 4.36 1.04 -1.18 0.28 113.70 118.36 3dos s SER 99 Ca 0.04 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 3dos s SER 99 Cb -0.09 0.02 0.20 0.00 0.10 0.00 0.00 66.02 66.24 3dos s SER 99 CO 0.03 -0.16 1.31 -2.16 0.98 0.00 0.00 173.24 173.24 3dos s PRO 100 N -1.33 0.65 0.39 4.02 0.04 -1.26 -4.76 135.00 132.75 3dos s PRO 100 Ca -0.08 -0.38 -0.26 0.00 0.04 0.00 0.00 61.00 60.33 3dos s PRO 100 Cb -0.09 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 3dos s PRO 100 CO 0.00 -2.42 1.18 0.15 0.04 0.00 0.00 177.00 175.96 3dos s LYS 101 N -5.86 4.09 -0.14 4.56 1.02 -0.20 -4.37 119.74 118.83 3dos s LYS 101 Ca 0.73 1.87 0.00 0.00 0.02 0.00 0.00 55.97 58.60 3dos s LYS 101 Cb -0.04 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3dos s LYS 101 CO 0.53 -0.30 -0.12 0.08 -0.92 0.00 0.00 175.35 174.62 3dos s VAL 102 N -1.38 1.37 -1.73 3.17 1.01 -0.43 -1.26 120.40 121.15 3dos s VAL 102 Ca 0.56 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 3dos s VAL 102 Cb -0.32 -1.33 0.15 0.00 0.00 0.00 0.00 36.38 34.89 3dos s VAL 102 CO 0.40 0.41 0.50 0.59 0.00 0.00 0.00 175.10 177.00 3dos n ASN 103 N 4.83 -1.44 0.00 3.32 3.02 0.21 -0.37 115.26 124.83 3dos n ASN 103 Ca -0.15 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3dos n ASN 103 Cb 0.50 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 3dos n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dos n GLY 104 N -1.56 0.76 2.95 7.41 0.00 -1.26 -4.45 105.19 109.04 3dos n GLY 104 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3dos n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dos s GLU 105 N -0.54 0.31 0.21 1.61 0.41 -1.04 -5.01 118.70 114.65 3dos s GLU 105 Ca 0.00 -0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.02 3dos s GLU 105 Cb 0.00 -0.24 -0.08 0.00 -1.78 0.00 0.00 34.13 32.03 3dos s GLU 105 CO 0.00 0.06 1.12 -0.80 -0.49 0.00 0.00 175.26 175.15 3dos s ASN 106 N -0.39 7.23 -0.07 -0.19 0.01 -1.26 -1.32 114.94 118.96 3dos s ASN 106 Ca -0.02 2.18 -0.19 0.00 -0.71 0.00 0.00 52.86 54.12 3dos s ASN 106 Cb -0.03 -2.61 -0.30 0.00 0.41 0.00 0.00 41.25 38.72 3dos s ASN 106 CO -0.00 -0.22 0.75 0.25 -1.51 0.00 0.00 177.10 176.37 3dos h LEU 107 N 4.70 0.45 -7.84 0.60 5.85 -1.86 -3.48 115.31 113.72 3dos h LEU 107 Ca -0.45 -0.91 -0.16 0.00 0.84 0.00 0.00 57.88 57.20 3dos h LEU 107 Cb 1.21 -0.15 -0.21 0.00 0.37 0.00 0.00 40.66 41.88 3dos h LEU 107 CO 0.71 1.51 -0.59 0.54 -0.34 0.00 0.00 178.44 180.26 3dos s VAL 108 N -2.46 0.09 0.00 1.05 0.11 -1.26 -5.09 120.40 112.84 3dos s VAL 108 Ca -0.16 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 3dos s VAL 108 Cb 0.03 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 3dos s VAL 108 CO 0.81 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 3dos n GLY 109 N 1.63 -1.32 3.84 6.54 0.00 -1.25 -3.12 105.19 111.51 3dos n GLY 109 Ca -0.23 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 3dos n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dos s ASP 110 N -3.70 6.14 0.03 1.61 1.11 -1.26 -4.93 116.67 115.66 3dos s ASP 110 Ca 0.00 1.57 -0.38 0.00 0.18 0.00 0.00 52.55 53.92 3dos s ASP 110 Cb 0.00 -2.50 -0.17 0.00 1.07 0.00 0.00 42.92 41.32 3dos s ASP 110 CO 0.00 -0.92 1.36 -0.67 1.18 0.00 0.00 175.17 176.12 3dos n ASP 111 N -2.31 1.55 -4.29 0.27 2.03 -1.26 -4.84 116.55 107.69 3dos n ASP 111 Ca 0.07 1.12 -0.18 0.00 0.52 0.00 0.00 54.79 56.32 3dos n ASP 111 Cb 0.54 -1.15 -0.10 0.00 -0.72 0.00 0.00 41.12 39.68 3dos n ASP 111 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3dos s VAL 112 N 0.83 1.48 0.05 5.18 -7.23 -1.26 -4.97 120.40 114.48 3dos s VAL 112 Ca 0.87 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 3dos s VAL 112 Cb -1.01 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 3dos s VAL 112 CO 0.51 -0.54 1.27 -0.69 -0.31 0.00 0.00 175.10 175.33 3dos s VAL 113 N -2.68 3.85 0.83 1.32 1.01 -1.26 -0.27 120.40 123.20 3dos s VAL 113 Ca 0.16 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 3dos s VAL 113 Cb -0.02 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.62 3dos s VAL 113 CO 0.04 0.07 1.13 -0.76 0.00 0.00 0.00 175.10 175.58 3dos s LEU 114 N 1.40 2.98 0.57 3.92 1.43 0.67 -4.88 118.68 124.76 3dos s LEU 114 Ca 0.60 2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 55.54 3dos s LEU 114 Cb -0.31 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.32 3dos s LEU 114 CO 0.28 -2.55 1.30 0.00 0.23 0.00 0.00 176.35 175.61 3dos s ALA 115 N -2.70 2.69 0.36 4.21 0.00 -1.26 -4.73 121.76 120.33 3dos s ALA 115 Ca 0.65 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.54 3dos s ALA 115 Cb -0.21 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 3dos s ALA 115 CO 0.56 -1.31 1.45 0.99 0.00 0.00 0.00 175.76 177.45 3dos s THR 116 N -1.40 2.20 0.00 0.00 2.01 -1.26 -3.96 115.64 113.23 3dos s THR 116 Ca 0.74 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3dos s THR 116 Cb -0.37 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.02 3dos s THR 116 CO 0.42 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3dos n GLY 117 N 0.62 2.32 3.26 4.40 0.00 -1.26 -4.83 105.19 109.70 3dos n GLY 117 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3dos n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dos s SER 118 N -2.63 0.14 -0.03 1.61 1.04 -1.25 -3.44 113.70 109.14 3dos s SER 118 Ca 0.00 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 55.50 3dos s SER 118 Cb 0.00 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3dos s SER 118 CO 0.00 -0.81 0.02 -1.58 0.98 0.00 0.00 173.24 171.85 3dos s GLN 119 N -3.97 0.07 0.03 4.02 2.00 -0.33 -4.50 119.66 116.98 3dos s GLN 119 Ca 0.17 0.18 -0.22 0.00 -2.00 0.00 0.00 55.36 53.48 3dos s GLN 119 Cb 0.05 -0.37 -0.06 0.00 0.80 0.00 0.00 33.01 33.43 3dos s GLN 119 CO -0.02 -0.18 0.67 -0.51 -0.50 0.00 0.00 175.29 174.75 3dos s ASP 120 N 1.23 7.10 -0.02 6.67 1.01 -1.26 -1.33 116.67 130.07 3dos s ASP 120 Ca -0.07 1.31 0.06 0.00 0.71 0.00 0.00 52.55 54.56 3dos s ASP 120 Cb -0.13 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3dos s ASP 120 CO -0.03 0.09 -0.20 -0.36 0.21 0.00 0.00 175.17 174.88 3dos s PHE 121 N -0.27 1.80 -0.14 4.23 0.40 0.22 -4.49 117.98 119.72 3dos s PHE 121 Ca 0.34 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.28 3dos s PHE 121 Cb -0.19 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 3dos s PHE 121 CO 0.20 -0.04 -0.00 -0.06 0.70 0.00 0.00 175.22 176.02 3dos s PHE 122 N -0.46 3.12 -0.24 0.36 0.40 0.11 -0.31 117.98 120.96 3dos s PHE 122 Ca 0.07 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 3dos s PHE 122 Cb -0.08 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 3dos s PHE 122 CO -0.01 0.15 0.72 0.08 0.70 0.00 0.00 175.22 176.87 3dos s VAL 123 N 0.03 4.92 -0.07 -0.44 1.01 -0.39 -1.73 120.40 123.73 3dos s VAL 123 Ca 0.02 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.39 3dos s VAL 123 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3dos s VAL 123 CO 0.02 -0.01 -0.20 -0.13 0.00 0.00 0.00 175.10 174.79 3dos s ARG 124 N 2.57 2.33 0.34 2.72 1.81 -0.16 -0.96 118.95 127.59 3dos s ARG 124 Ca 0.31 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.33 3dos s ARG 124 Cb -0.15 -1.87 -0.11 0.00 -0.45 0.00 0.00 34.95 32.36 3dos s ARG 124 CO 0.08 0.19 1.43 -1.54 -0.68 0.00 0.00 175.30 174.79 3dos s SER 125 N 0.26 6.52 0.00 0.23 1.04 -0.90 -0.68 113.70 120.17 3dos s SER 125 Ca -0.12 2.88 0.00 0.00 0.48 0.00 0.00 55.95 59.20 3dos s SER 125 Cb -0.15 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3dos s SER 125 CO 0.05 -0.75 0.00 -0.38 0.98 0.00 0.00 173.24 173.14 3dos n ILE 126 N 0.94 0.00 -0.63 -1.02 2.08 -0.28 -2.43 119.36 118.02 3dos n ILE 126 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 3dos n ILE 126 Cb 0.40 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 3dos n ILE 126 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dos n GLY 127 N 2.54 2.70 2.88 7.39 0.00 -1.24 -4.67 105.19 114.79 3dos n GLY 127 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3dos n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dos s SER 128 N 2.00 0.12 0.48 1.61 1.04 -1.26 -2.39 113.70 115.29 3dos s SER 128 Ca 0.00 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.00 3dos s SER 128 Cb 0.00 1.06 0.05 0.00 0.10 0.00 0.00 66.02 67.22 3dos s SER 128 CO 0.00 -0.21 0.89 0.50 0.98 0.00 0.00 173.24 175.40 3dos h LYS 129 N 6.78 0.00 0.00 4.02 3.64 -2.00 0.25 116.57 129.26 3dos h LYS 129 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3dos h LYS 129 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3dos h LYS 129 CO 0.16 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.75 3dos n GLY 130 N -1.36 -1.22 0.00 5.01 0.00 -1.26 -5.08 105.19 101.28 3dos n GLY 130 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dos n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dos n GLY 131 N 0.58 0.52 3.36 -0.02 0.00 0.87 -5.11 105.19 105.40 3dos n GLY 131 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 3dos n GLY 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dos s LYS 132 N 0.00 3.39 0.17 1.61 2.20 -1.26 -4.41 119.74 121.44 3dos s LYS 132 Ca 0.00 -1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 53.36 3dos s LYS 132 Cb 0.00 -4.48 -0.07 0.00 -1.51 0.00 0.00 37.83 31.77 3dos s LYS 132 CO 0.00 -1.46 0.98 -0.51 -0.36 0.00 0.00 175.35 174.01 3dos s LEU 133 N 1.46 4.55 -0.54 5.43 1.43 -0.95 -4.99 118.68 125.07 3dos s LEU 133 Ca 0.18 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 3dos s LEU 133 Cb -0.15 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.55 3dos s LEU 133 CO -0.04 -0.02 2.71 0.00 0.23 0.00 0.00 176.35 179.23 3dos n ALA 134 N 2.25 6.49 0.00 4.21 0.00 -1.26 -4.81 120.51 127.38 3dos n ALA 134 Ca 0.01 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.26 3dos n ALA 134 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3dos n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dos n GLY 136 N 0.88 0.00 3.68 0.00 0.00 -1.26 -5.10 105.19 103.39 3dos n GLY 136 Ca 0.50 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 46.01 3dos n GLY 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dos n LYS 137 N 0.00 1.81 -4.94 1.61 4.76 -1.26 -4.99 118.16 115.16 3dos n LYS 137 Ca 0.00 0.66 -0.33 0.00 -2.87 0.00 0.00 58.31 55.78 3dos n LYS 137 Cb 0.00 -2.43 -0.14 0.00 -1.84 0.00 0.00 35.03 30.61 3dos n LYS 137 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3dos s TYR 138 N 3.12 2.68 0.12 2.13 1.51 -1.26 0.20 117.35 125.86 3dos s TYR 138 Ca 0.91 -0.41 0.09 0.00 -1.01 0.00 0.00 57.07 56.65 3dos s TYR 138 Cb -0.81 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 3dos s TYR 138 CO 0.53 -0.01 -0.22 0.95 -1.11 0.00 0.00 175.55 175.69 3dos s THR 139 N -0.30 1.88 0.02 -0.71 -4.23 0.30 -4.80 115.64 107.80 3dos s THR 139 Ca 0.02 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3dos s THR 139 Cb -0.13 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 3dos s THR 139 CO 0.03 -0.07 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.39 3dos s ASP 140 N -2.10 0.27 -0.28 3.99 2.15 -1.26 -1.62 116.67 117.82 3dos s ASP 140 Ca 0.10 -0.57 0.03 0.00 0.43 0.00 0.00 52.55 52.54 3dos s ASP 140 Cb -0.09 0.12 0.07 0.00 -0.30 0.00 0.00 42.92 42.72 3dos s ASP 140 CO 0.05 -0.35 -0.06 0.00 -0.17 0.00 0.00 175.17 174.64 3dos s ALA 141 N -1.86 2.57 -0.17 3.66 0.00 -1.26 -5.11 121.76 119.59 3dos s ALA 141 Ca -0.12 -1.91 -0.02 0.00 0.00 0.00 0.00 51.96 49.91 3dos s ALA 141 Cb -0.07 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 3dos s ALA 141 CO -0.02 -1.32 -0.09 0.08 0.00 0.00 0.00 175.76 174.41 3dos s VAL 142 N 1.09 3.24 -0.18 0.00 1.01 -1.26 -4.30 120.40 120.00 3dos s VAL 142 Ca -0.04 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 3dos s VAL 142 Cb -0.20 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3dos s VAL 142 CO -0.06 0.48 0.49 -0.89 0.00 0.00 0.00 175.10 175.13 3dos s THR 143 N 0.82 5.14 -0.41 3.92 2.01 0.24 -4.93 115.64 122.42 3dos s THR 143 Ca -0.03 0.92 -0.12 0.00 0.31 0.00 0.00 61.69 62.78 3dos s THR 143 Cb -0.15 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.59 3dos s THR 143 CO 0.01 0.22 0.27 -0.69 -0.69 0.00 0.00 174.62 173.74 3dos s VAL 144 N 1.34 4.68 -0.18 3.82 1.01 -1.26 -0.70 120.40 129.11 3dos s VAL 144 Ca 0.24 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3dos s VAL 144 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3dos s VAL 144 CO 0.10 -0.39 0.17 -0.89 0.00 0.00 0.00 175.10 174.08 3dos s THR 145 N 1.55 5.39 -0.16 3.92 2.01 0.06 -4.95 115.64 123.47 3dos s THR 145 Ca 0.03 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.31 3dos s THR 145 Cb -0.21 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.82 3dos s THR 145 CO 0.06 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.56 3dos s VAL 146 N 0.24 1.92 -0.79 3.82 1.01 -1.26 -0.94 120.40 124.40 3dos s VAL 146 Ca 0.11 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3dos s VAL 146 Cb -0.12 -1.74 0.17 0.00 0.00 0.00 0.00 36.38 34.70 3dos s VAL 146 CO -0.00 0.52 0.82 -0.44 0.00 0.00 0.00 175.10 176.00 3dos s SER 147 N 1.21 6.59 0.30 3.32 0.01 0.74 -5.02 113.70 120.86 3dos s SER 147 Ca 0.02 -2.26 -0.29 0.00 1.31 0.00 0.00 55.95 54.73 3dos s SER 147 Cb -0.14 -2.27 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 3dos s SER 147 CO -0.09 -0.80 1.39 0.20 0.41 0.00 0.00 173.24 174.35 3dos s ASN 148 N 2.88 6.65 0.00 2.44 0.01 -1.26 -4.85 114.94 120.81 3dos s ASN 148 Ca 0.19 2.74 0.03 0.00 -0.71 0.00 0.00 52.86 55.11 3dos s ASN 148 Cb -0.13 -2.64 0.21 0.00 0.41 0.00 0.00 41.25 39.10 3dos s ASN 148 CO -0.06 -0.66 0.69 0.00 -1.51 0.00 0.00 177.10 175.56