#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 6.44 -0.09 0.00 -0.00 -1.26 -5.08 116.67 116.68 3dos s ASP 2 Ca 0.00 0.52 0.01 0.00 -0.00 0.00 0.00 52.55 53.08 3dos s ASP 2 Cb 0.00 -2.25 -0.03 0.00 -0.00 0.00 0.00 42.92 40.64 3dos s ASP 2 CO 0.00 -0.15 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.16 3dos s LEU 3 N 1.66 2.98 0.13 1.23 1.43 -1.26 -5.13 118.68 119.72 3dos s LEU 3 Ca 0.20 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3dos s LEU 3 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3dos s LEU 3 CO 0.09 0.29 -0.07 0.42 0.23 0.00 0.00 176.35 177.31 3dos s THR 4 N -0.40 3.48 0.12 5.49 -4.23 -1.26 -5.14 115.64 113.71 3dos s THR 4 Ca 0.05 -1.34 -0.06 0.00 -1.18 0.00 0.00 61.69 59.16 3dos s THR 4 Cb -0.12 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 3dos s THR 4 CO 0.02 0.02 0.15 0.00 -0.54 0.00 0.00 174.62 174.28 3dos s ALA 5 N -1.42 0.27 0.05 3.99 0.00 -1.26 -5.19 121.76 118.19 3dos s ALA 5 Ca 0.24 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3dos s ALA 5 Cb -0.10 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 3dos s ALA 5 CO 0.16 -0.53 -0.06 -1.54 0.00 0.00 0.00 175.76 173.79 3dos s SER 6 N -2.96 0.68 -0.04 0.00 1.04 -1.26 -5.16 113.70 106.00 3dos s SER 6 Ca 0.15 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.76 3dos s SER 6 Cb 0.05 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.29 3dos s SER 6 CO -0.03 -0.33 0.34 0.12 0.98 0.00 0.00 173.24 174.32 3dos s PHE 7 N -2.11 -0.26 -0.43 5.02 5.36 -1.26 -5.12 117.98 119.18 3dos s PHE 7 Ca -0.06 0.47 -0.20 0.00 -0.96 0.00 0.00 56.93 56.18 3dos s PHE 7 Cb -0.05 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3dos s PHE 7 CO -0.02 -0.36 0.61 0.99 -1.46 0.00 0.00 175.22 174.98 3dos s THR 8 N -0.98 4.87 0.32 0.12 2.01 -1.26 -5.06 115.64 115.65 3dos s THR 8 Ca -0.10 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3dos s THR 8 Cb -0.04 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 3dos s THR 8 CO 0.04 -0.55 0.86 0.68 -0.69 0.00 0.00 174.62 174.96 3dos s VAL 9 N 2.72 4.39 0.08 3.82 -7.23 -1.26 -5.07 120.40 117.85 3dos s VAL 9 Ca 0.21 1.52 0.03 0.00 -1.81 0.00 0.00 61.98 61.93 3dos s VAL 9 Cb -0.15 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.91 3dos s VAL 9 CO 0.18 0.04 -0.09 0.42 -0.31 0.00 0.00 175.10 175.34 3dos s THR 10 N -1.73 0.80 0.02 5.32 -4.23 -1.26 -5.16 115.64 109.39 3dos s THR 10 Ca 0.51 -1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3dos s THR 10 Cb -0.15 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.49 3dos s THR 10 CO 0.20 -0.56 0.26 0.00 -0.54 0.00 0.00 174.62 173.99 3dos s ALA 11 N -2.33 -0.59 -0.20 3.99 0.00 -1.26 -5.14 121.76 116.23 3dos s ALA 11 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 3dos s ALA 11 Cb -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3dos s ALA 11 CO -0.01 -0.33 -0.07 0.99 0.00 0.00 0.00 175.76 176.34 3dos s THR 12 N -2.08 3.24 -0.16 0.00 2.01 -1.26 -5.10 115.64 112.29 3dos s THR 12 Ca -0.09 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 3dos s THR 12 Cb -0.03 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3dos s THR 12 CO -0.01 0.46 0.04 -0.76 -0.69 0.00 0.00 174.62 173.66 3dos s LEU 13 N 1.19 3.74 0.01 4.42 1.43 -1.26 -5.10 118.68 123.10 3dos s LEU 13 Ca 0.02 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3dos s LEU 13 Cb -0.14 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3dos s LEU 13 CO -0.02 0.21 -0.21 0.68 0.23 0.00 0.00 176.35 177.24 3dos s VAL 14 N 0.14 2.56 -0.37 -1.59 -7.23 -1.26 -5.10 120.40 107.56 3dos s VAL 14 Ca 0.04 -1.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 3dos s VAL 14 Cb -0.12 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.82 3dos s VAL 14 CO 0.01 0.45 0.24 -0.70 -0.31 0.00 0.00 175.10 174.79 3dos s GLU 15 N -1.06 3.06 0.83 4.82 2.56 -1.26 -5.08 118.70 122.57 3dos s GLU 15 Ca 0.12 -0.94 -0.11 0.00 0.00 0.00 0.00 54.97 54.05 3dos s GLU 15 Cb -0.10 -3.81 0.09 0.00 2.00 0.00 0.00 34.13 32.31 3dos s GLU 15 CO 0.02 -0.64 1.12 -1.25 -0.56 0.00 0.00 175.26 173.95 3dos s PRO 16 N 1.64 1.73 -0.89 4.30 0.04 -1.26 -5.00 135.00 135.56 3dos s PRO 16 Ca 0.04 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 3dos s PRO 16 Cb -0.19 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.68 3dos s PRO 16 CO 0.08 -2.07 1.04 0.00 0.04 0.00 0.00 177.00 176.09 3dos s ALA 17 N -2.74 3.50 -0.22 8.56 0.00 -1.26 -4.94 121.76 124.67 3dos s ALA 17 Ca 0.64 -2.82 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 3dos s ALA 17 Cb -0.20 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 3dos s ALA 17 CO 0.56 -2.81 0.14 1.03 0.00 0.00 0.00 175.76 174.68 3dos s ARG 18 N 2.24 4.14 -0.12 0.00 0.52 -1.26 -5.07 118.95 119.40 3dos s ARG 18 Ca 0.29 -0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 55.26 3dos s ARG 18 Cb -0.07 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.95 3dos s ARG 18 CO -0.08 0.20 -0.10 0.42 0.02 0.00 0.00 175.30 175.75 3dos s ILE 19 N 0.66 1.23 0.36 1.52 -1.09 -1.26 -2.72 121.20 119.90 3dos s ILE 19 Ca 0.08 -0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.17 3dos s ILE 19 Cb -0.12 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.50 3dos s ILE 19 CO 0.01 0.40 0.05 0.42 -1.23 0.00 0.00 174.94 174.59 3dos s THR 20 N 1.60 2.52 -0.24 2.92 -4.23 -0.62 -4.98 115.64 112.61 3dos s THR 20 Ca 0.05 -1.91 -0.10 0.00 -1.18 0.00 0.00 61.69 58.54 3dos s THR 20 Cb -0.13 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 70.95 3dos s THR 20 CO -0.09 -0.14 0.55 -0.22 -0.54 0.00 0.00 174.62 174.17 3dos s LEU 21 N -3.75 -0.74 -0.15 4.79 2.96 -1.26 -2.15 118.68 118.37 3dos s LEU 21 Ca 0.36 1.26 -0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3dos s LEU 21 Cb 0.02 1.86 -0.02 0.00 0.50 0.00 0.00 46.19 48.55 3dos s LEU 21 CO 0.20 -0.22 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.06 3dos s THR 22 N 2.20 3.67 -0.27 3.68 2.01 0.22 -4.95 115.64 122.21 3dos s THR 22 Ca -0.07 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3dos s THR 22 Cb -0.10 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3dos s THR 22 CO -0.16 0.50 0.06 -0.47 -0.69 0.00 0.00 174.62 173.86 3dos s TYR 23 N 0.43 3.09 -0.38 4.92 5.04 -1.26 -0.60 117.35 128.59 3dos s TYR 23 Ca -0.05 -0.70 -0.09 0.00 -2.44 0.00 0.00 57.07 53.79 3dos s TYR 23 Cb -0.15 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 39.98 3dos s TYR 23 CO 0.03 -0.47 0.19 0.21 -1.34 0.00 0.00 175.55 174.18 3dos s LYS 24 N 1.55 2.65 0.15 4.97 2.20 0.14 -4.96 119.74 126.45 3dos s LYS 24 Ca 0.05 -1.28 -0.34 0.00 -0.36 0.00 0.00 55.97 54.05 3dos s LYS 24 Cb -0.16 -3.66 -0.16 0.00 -1.51 0.00 0.00 37.83 32.34 3dos s LYS 24 CO 0.02 -0.80 1.10 0.39 -0.36 0.00 0.00 175.35 175.71 3dos n GLU 25 N 4.90 0.90 -1.73 4.03 1.02 -1.26 -0.67 120.64 127.83 3dos n GLU 25 Ca -0.11 0.32 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 3dos n GLU 25 Cb 0.44 -1.78 0.09 0.00 -0.02 0.00 0.00 31.44 30.17 3dos n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dos n GLY 26 N 1.98 0.15 3.56 0.62 0.00 -0.29 -4.85 105.19 106.36 3dos n GLY 26 Ca 0.16 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 3dos n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dos n ALA 27 N -3.10 -0.32 -1.67 4.61 0.00 -1.26 -4.92 120.51 113.86 3dos n ALA 27 Ca -0.12 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 3dos n ALA 27 Cb 0.39 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 17.86 3dos n ALA 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dos n PRO 28 N -0.20 1.65 -3.64 0.00 -0.04 -1.26 -4.88 135.00 126.63 3dos n PRO 28 Ca 0.11 0.59 -0.37 0.00 -0.04 0.00 0.00 63.50 63.79 3dos n PRO 28 Cb 0.44 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 3dos n PRO 28 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dos s ILE 29 N -1.24 5.09 0.08 0.52 1.01 -1.26 -5.09 121.20 120.32 3dos s ILE 29 Ca 0.63 0.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3dos s ILE 29 Cb -0.52 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3dos s ILE 29 CO 0.57 0.29 0.60 -0.89 0.00 0.00 0.00 174.94 175.50 3dos s THR 30 N 1.61 4.69 0.05 2.92 2.01 -1.26 -5.07 115.64 120.58 3dos s THR 30 Ca 0.07 1.29 -0.15 0.00 0.31 0.00 0.00 61.69 63.20 3dos s THR 30 Cb -0.15 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 3dos s THR 30 CO 0.08 0.55 0.47 -0.63 -0.69 0.00 0.00 174.62 174.40 3dos s ILE 31 N -1.10 4.93 0.78 1.82 1.01 -1.26 -4.50 121.20 122.88 3dos s ILE 31 Ca 0.30 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 3dos s ILE 31 Cb -0.20 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.57 3dos s ILE 31 CO 0.20 0.50 1.09 -0.04 0.00 0.00 0.00 174.94 176.69 3dos s MET 32 N -1.29 2.26 0.33 2.79 -1.94 0.34 -4.93 119.30 116.86 3dos s MET 32 Ca 0.28 0.71 0.12 0.00 -1.71 0.00 0.00 55.69 55.09 3dos s MET 32 Cb -0.17 -1.93 0.98 0.00 2.01 0.00 0.00 34.83 35.72 3dos s MET 32 CO 0.16 -1.52 1.69 -0.44 -0.01 0.00 0.00 175.02 174.90 3dos h ASP 33 N -1.02 0.54 -0.18 3.03 3.45 -1.99 -0.86 116.42 119.39 3dos h ASP 33 Ca -0.46 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3dos h ASP 33 Cb 1.26 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3dos h ASP 33 CO 0.59 -0.05 0.00 -0.46 -1.57 0.00 0.00 179.24 177.75 3dos n ASN 34 N -5.00 1.53 0.00 6.45 6.94 -1.26 -4.91 115.26 119.01 3dos n ASN 34 Ca 0.29 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 3dos n ASN 34 Cb 0.87 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 3dos n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dos n GLY 35 N 0.58 0.91 3.90 4.83 0.00 -0.33 -4.56 105.19 110.52 3dos n GLY 35 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.91 6.41 0.31 1.61 0.01 -1.26 -1.09 114.94 118.02 3dos s ASN 36 Ca 0.00 0.83 0.08 0.00 -0.71 0.00 0.00 52.86 53.06 3dos s ASN 36 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 3dos s ASN 36 CO 0.00 -0.33 0.12 0.27 -1.51 0.00 0.00 177.10 175.65 3dos s ILE 37 N -2.31 3.41 0.76 0.60 -4.36 -1.26 -0.51 121.20 117.52 3dos s ILE 37 Ca 0.46 -1.68 -0.11 0.00 -0.26 0.00 0.00 60.65 59.06 3dos s ILE 37 Cb -0.10 -3.02 0.05 0.00 1.25 0.00 0.00 42.46 40.63 3dos s ILE 37 CO 0.34 -0.26 1.08 -0.62 0.24 0.00 0.00 174.94 175.72 3dos s ASP 38 N -3.81 4.69 0.02 4.36 3.68 -1.26 -4.94 116.67 119.40 3dos s ASP 38 Ca 0.35 1.74 -0.00 0.00 2.13 0.00 0.00 52.55 56.78 3dos s ASP 38 Cb -0.05 -2.49 -0.04 0.00 -1.45 0.00 0.00 42.92 38.90 3dos s ASP 38 CO 0.23 -1.91 0.11 0.28 0.13 0.00 0.00 175.17 174.01 3dos s THR 39 N -2.95 4.89 -0.27 1.71 -1.32 -1.26 -4.48 115.64 111.96 3dos s THR 39 Ca 0.60 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3dos s THR 39 Cb -0.16 -3.29 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 3dos s THR 39 CO 0.56 0.28 0.00 -0.62 -2.21 0.00 0.00 174.62 172.62 3dos n GLU 40 N 0.89 -0.32 -2.02 7.08 -0.58 -0.60 -4.98 120.64 120.10 3dos n GLU 40 Ca -0.11 0.44 -0.41 0.00 -0.42 0.00 0.00 57.16 56.67 3dos n GLU 40 Cb 0.52 -3.98 -0.01 0.00 -0.57 0.00 0.00 31.44 27.40 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 -0.59 4.37 -0.81 -4.62 1.43 -1.26 -4.77 118.68 112.44 3dos s LEU 41 Ca 0.00 2.79 -0.25 0.00 -1.03 0.00 0.00 54.13 55.63 3dos s LEU 41 Cb 0.00 -3.68 0.04 0.00 0.03 0.00 0.00 46.19 42.58 3dos s LEU 41 CO 0.00 -0.66 1.29 -0.22 0.23 0.00 0.00 176.35 176.99 3dos s LEU 42 N -1.95 3.39 0.21 1.79 2.96 -1.26 -1.61 118.68 122.22 3dos s LEU 42 Ca 0.51 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3dos s LEU 42 Cb -0.41 -2.55 0.17 0.00 0.50 0.00 0.00 46.19 43.90 3dos s LEU 42 CO 0.55 -1.71 1.58 0.58 -1.32 0.00 0.00 176.35 176.04 3dos h VAL 43 N 6.21 1.29 -1.30 1.68 2.07 -0.77 -3.36 116.25 122.06 3dos h VAL 43 Ca -0.15 -1.52 0.32 0.00 0.82 0.00 0.00 66.70 66.17 3dos h VAL 43 Cb 1.04 1.46 -0.16 0.00 -1.52 0.00 0.00 31.29 32.11 3dos h VAL 43 CO 1.30 0.49 0.88 -0.83 0.02 0.00 0.00 177.57 179.44 3dos s GLY 44 N -3.98 -0.37 -0.14 2.17 0.00 -1.21 -1.14 107.32 102.66 3dos s GLY 44 Ca -0.08 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.82 3dos s GLY 44 CO 0.83 0.32 -0.14 -1.59 0.00 0.00 0.00 173.10 172.52 3dos s THR 45 N -2.28 1.53 -0.13 0.90 2.01 0.16 -1.03 115.64 116.80 3dos s THR 45 Ca 0.13 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 3dos s THR 45 Cb 0.03 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 3dos s THR 45 CO -0.04 0.45 0.37 -0.76 -0.69 0.00 0.00 174.62 173.95 3dos s LEU 46 N 1.43 4.28 -0.26 4.42 1.43 0.57 -0.68 118.68 129.87 3dos s LEU 46 Ca 0.03 0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3dos s LEU 46 Cb -0.13 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.60 3dos s LEU 46 CO -0.09 0.08 -0.03 -0.89 0.23 0.00 0.00 176.35 175.65 3dos s THR 47 N 0.38 3.09 -0.17 5.49 2.01 0.23 -0.91 115.64 125.76 3dos s THR 47 Ca 0.21 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 3dos s THR 47 Cb -0.14 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3dos s THR 47 CO 0.07 0.16 0.45 -0.22 -0.69 0.00 0.00 174.62 174.39 3dos s LEU 48 N 1.35 4.20 0.00 4.42 2.96 -0.20 -0.61 118.68 130.81 3dos s LEU 48 Ca 0.00 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3dos s LEU 48 Cb -0.17 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 3dos s LEU 48 CO -0.03 -0.06 0.12 0.61 -1.32 0.00 0.00 176.35 175.67 3dos n GLY 49 N 3.63 3.52 2.56 7.98 0.00 -0.92 -0.43 105.19 121.53 3dos n GLY 49 Ca -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.05 2.79 3.71 -0.02 0.00 -1.22 -1.58 105.19 108.82 3dos n GLY 50 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3dos n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dos s TYR 51 N -1.22 1.94 0.36 1.61 -0.85 -1.10 -4.34 117.35 113.75 3dos s TYR 51 Ca 0.00 1.63 -0.26 0.00 -0.52 0.00 0.00 57.07 57.92 3dos s TYR 51 Cb 0.00 -3.48 -0.09 0.00 0.38 0.00 0.00 41.96 38.77 3dos s TYR 51 CO 0.00 -2.73 1.06 0.21 -1.52 0.00 0.00 175.55 172.57 3dos s LYS 52 N -4.02 4.31 0.20 -3.49 2.20 -1.26 -4.75 119.74 112.94 3dos s LYS 52 Ca 0.74 1.59 -0.32 0.00 -0.36 0.00 0.00 55.97 57.62 3dos s LYS 52 Cb -0.29 -2.74 -0.12 0.00 -1.51 0.00 0.00 37.83 33.18 3dos s LYS 52 CO 0.48 -0.02 1.72 0.99 -0.36 0.00 0.00 175.35 178.15 3dos s THR 53 N -1.51 2.11 0.00 3.43 2.01 -1.26 -2.02 115.64 118.40 3dos s THR 53 Ca 0.54 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.60 3dos s THR 53 Cb -0.25 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3dos s THR 53 CO 0.31 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 3dos n GLY 54 N 3.98 2.14 3.60 4.40 0.00 -1.26 -5.09 105.19 112.95 3dos n GLY 54 Ca 0.16 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.40 0.03 -4.00 2.61 -1.04 -0.86 -4.79 114.28 105.84 3dos n THR 55 Ca 0.00 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3dos n THR 55 Cb 0.00 -0.82 -0.04 0.00 -1.82 0.00 0.00 70.33 67.65 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 0.73 4.15 0.39 12.58 -4.23 -1.26 0.68 115.64 128.68 3dos s THR 56 Ca 0.86 -1.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.16 3dos s THR 56 Cb -0.98 -3.34 0.17 0.00 1.34 0.00 0.00 72.50 69.69 3dos s THR 56 CO 0.49 -0.29 1.93 0.77 -0.54 0.00 0.00 174.62 176.98 3dos h SER 57 N 1.39 0.00 0.10 3.99 4.64 -0.98 -2.66 113.55 120.03 3dos h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3dos h SER 57 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dos h SER 57 CO 0.60 0.26 -0.03 0.35 -0.87 0.00 0.00 176.83 177.13 3dos n THR 58 N -4.03 0.00 1.47 2.95 -2.24 -1.26 -3.45 114.28 107.73 3dos n THR 58 Ca -0.02 -0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 3dos n THR 58 Cb 0.33 -0.05 0.53 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.59 1.19 -4.37 3.42 3.41 -1.00 -4.84 113.62 110.84 3dos n SER 59 Ca 0.20 -1.24 -0.33 0.00 -0.26 0.00 0.00 58.87 57.23 3dos n SER 59 Cb 0.24 0.03 -0.14 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 -2.15 2.99 -0.08 -3.33 1.01 -1.22 -0.24 120.40 117.37 3dos s VAL 60 Ca 0.35 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3dos s VAL 60 Cb 0.21 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.38 3dos s VAL 60 CO 0.39 0.53 0.08 0.21 0.00 0.00 0.00 175.10 176.31 3dos s ASN 61 N 0.29 1.37 -0.31 3.32 2.47 -0.30 -0.98 114.94 120.80 3dos s ASN 61 Ca -0.10 -0.05 -0.17 0.00 0.42 0.00 0.00 52.86 52.95 3dos s ASN 61 Cb -0.16 -0.10 -0.02 0.00 -1.45 0.00 0.00 41.25 39.52 3dos s ASN 61 CO 0.06 -0.27 0.47 -0.36 -3.72 0.00 0.00 177.10 173.27 3dos s PHE 62 N 2.18 3.22 0.15 0.43 0.40 -0.11 -1.11 117.98 123.13 3dos s PHE 62 Ca 0.04 0.33 0.11 0.00 -0.60 0.00 0.00 56.93 56.82 3dos s PHE 62 Cb -0.13 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 3dos s PHE 62 CO -0.05 -0.39 -0.26 0.95 0.70 0.00 0.00 175.22 176.17 3dos s THR 63 N 2.26 2.30 0.27 0.64 -4.23 0.04 0.86 115.64 117.79 3dos s THR 63 Ca 0.18 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3dos s THR 63 Cb -0.16 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 3dos s THR 63 CO 0.11 0.03 0.31 1.51 -0.54 0.00 0.00 174.62 176.05 3dos s ASP 64 N -2.24 0.63 0.10 3.99 1.47 -1.26 -0.99 116.67 118.38 3dos s ASP 64 Ca 0.16 -1.41 -0.15 0.00 1.18 0.00 0.00 52.55 52.33 3dos s ASP 64 Cb -0.09 0.53 -0.08 0.00 -0.34 0.00 0.00 42.92 42.94 3dos s ASP 64 CO 0.07 -1.06 1.44 0.00 0.68 0.00 0.00 175.17 176.31 3dos h ALA 65 N 2.32 0.43 -1.00 2.11 0.00 -1.96 -2.60 119.26 118.56 3dos h ALA 65 Ca -0.30 -0.37 0.21 0.00 0.00 0.00 0.00 54.91 54.45 3dos h ALA 65 Cb 1.24 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3dos h ALA 65 CO 0.43 0.39 0.61 0.00 0.00 0.00 0.00 179.25 180.68 3dos h ALA 66 N 0.73 1.78 -0.78 0.00 0.00 -1.97 -3.46 119.26 115.57 3dos h ALA 66 Ca 0.06 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3dos h ALA 66 Cb 0.77 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3dos h ALA 66 CO 0.06 -0.18 -0.22 0.41 0.00 0.00 0.00 179.25 179.32 3dos n GLY 67 N -1.35 0.88 3.62 0.00 0.00 -0.98 -4.96 105.19 102.40 3dos n GLY 67 Ca 0.24 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.79 6.44 0.16 1.61 2.15 -1.26 -4.93 116.67 118.05 3dos s ASP 68 Ca 0.00 1.21 -0.34 0.00 0.43 0.00 0.00 52.55 53.85 3dos s ASP 68 Cb 0.00 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.94 3dos s ASP 68 CO 0.00 -1.27 1.49 -2.65 -0.17 0.00 0.00 175.17 172.57 3dos n PRO 69 N 7.70 1.89 0.00 4.34 -0.02 -1.26 -1.73 135.00 145.92 3dos n PRO 69 Ca 0.17 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dos n PRO 69 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.96 0.00 -4.38 -0.52 2.81 0.54 -5.00 117.12 113.54 3dos n MET 70 Ca 0.16 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.86 3dos n MET 70 Cb 0.27 -1.01 -0.14 0.00 -0.71 0.00 0.00 33.22 31.63 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 -2.28 1.08 -0.14 2.03 1.51 -0.70 -4.55 117.35 114.28 3dos s TYR 71 Ca 0.00 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 3dos s TYR 71 Cb 0.00 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 3dos s TYR 71 CO 0.00 0.00 0.11 -0.51 -1.11 0.00 0.00 175.55 174.04 3dos s LEU 72 N -0.78 4.16 -0.20 -1.29 1.43 -0.23 -4.34 118.68 117.44 3dos s LEU 72 Ca 0.02 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3dos s LEU 72 Cb -0.06 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3dos s LEU 72 CO 0.00 0.31 -0.01 -0.89 0.23 0.00 0.00 176.35 176.00 3dos s THR 73 N -0.46 3.91 -0.18 5.49 2.01 -1.26 -0.23 115.64 124.92 3dos s THR 73 Ca 0.11 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 3dos s THR 73 Cb -0.12 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3dos s THR 73 CO 0.02 0.43 0.16 -0.36 -0.69 0.00 0.00 174.62 174.18 3dos s PHE 74 N 0.98 3.44 0.03 4.92 0.40 0.09 -4.59 117.98 123.24 3dos s PHE 74 Ca 0.01 0.41 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 3dos s PHE 74 Cb -0.14 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 3dos s PHE 74 CO 0.02 0.33 -0.19 0.99 0.70 0.00 0.00 175.22 177.07 3dos s THR 75 N 0.23 2.72 0.48 0.64 2.01 -0.44 -1.63 115.64 119.65 3dos s THR 75 Ca 0.10 -1.14 -0.20 0.00 0.31 0.00 0.00 61.69 60.76 3dos s THR 75 Cb -0.12 -2.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 3dos s THR 75 CO -0.00 0.39 1.02 -0.94 -0.69 0.00 0.00 174.62 174.40 3dos s SER 76 N -1.28 6.41 -0.45 3.53 1.04 -0.25 -0.42 113.70 122.27 3dos s SER 76 Ca 0.14 1.88 0.04 0.00 0.48 0.00 0.00 55.95 58.48 3dos s SER 76 Cb -0.10 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.95 3dos s SER 76 CO 0.04 -0.73 1.65 0.00 0.98 0.00 0.00 173.24 175.18 3dos n GLN 77 N -0.99 2.74 0.00 4.02 6.02 -1.10 -4.42 117.38 123.65 3dos n GLN 77 Ca 0.09 -3.51 0.12 0.00 -0.01 0.00 0.00 57.00 53.69 3dos n GLN 77 Cb 0.53 -2.18 0.21 0.00 1.02 0.00 0.00 30.24 29.82 3dos n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dos n ASP 78 N -0.92 1.78 0.00 1.08 5.68 -1.26 -4.95 116.55 117.96 3dos n ASP 78 Ca 0.51 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 3dos n ASP 78 Cb 0.94 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 3dos n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dos n GLY 79 N 1.35 2.16 0.32 6.12 0.00 -1.26 -4.88 105.19 109.00 3dos n GLY 79 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 1.00 -3.73 1.61 3.02 -1.26 -4.96 115.26 110.94 3dos n ASN 80 Ca 0.00 -1.34 -0.23 0.00 -0.03 0.00 0.00 54.58 52.98 3dos n ASN 80 Cb 0.00 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.21 -2.14 -4.74 6.41 5.15 -1.26 -4.94 115.26 113.52 3dos n ASN 81 Ca 0.20 -0.79 -0.41 0.00 -0.60 0.00 0.00 54.58 52.98 3dos n ASN 81 Cb 0.27 -4.10 -0.04 0.00 -0.53 0.00 0.00 39.78 35.38 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 -3.57 3.68 0.02 1.20 3.76 -1.26 -4.88 115.29 114.24 3dos s HIS 82 Ca 0.16 1.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.79 3dos s HIS 82 Cb -0.08 -3.20 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 3dos s HIS 82 CO 0.81 -0.31 -0.06 -0.65 -0.85 0.00 0.00 174.74 173.68 3dos s GLN 83 N -0.66 0.41 0.03 1.40 -0.21 -1.26 -1.09 119.66 118.27 3dos s GLN 83 Ca 0.47 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 55.34 3dos s GLN 83 Cb -0.29 -0.23 -0.03 0.00 1.00 0.00 0.00 33.01 33.47 3dos s GLN 83 CO 0.35 0.05 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.94 3dos s PHE 84 N -0.90 0.37 0.13 0.91 -0.12 -0.65 -4.57 117.98 113.15 3dos s PHE 84 Ca -0.07 -0.74 0.04 0.00 -0.05 0.00 0.00 56.93 56.12 3dos s PHE 84 Cb -0.07 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 3dos s PHE 84 CO -0.00 -0.26 0.10 0.95 -0.05 0.00 0.00 175.22 175.96 3dos s THR 85 N -2.42 4.43 0.18 -4.49 -4.23 -0.21 -0.74 115.64 108.16 3dos s THR 85 Ca -0.07 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 3dos s THR 85 Cb -0.03 -3.20 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 3dos s THR 85 CO -0.04 -0.00 -0.02 0.42 -0.54 0.00 0.00 174.62 174.43 3dos s THR 86 N -1.58 0.86 0.16 3.99 -4.23 0.68 -0.37 115.64 115.17 3dos s THR 86 Ca 0.30 -2.01 0.11 0.00 -1.18 0.00 0.00 61.69 58.91 3dos s THR 86 Cb -0.11 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3dos s THR 86 CO 0.22 -0.52 -0.25 -1.59 -0.54 0.00 0.00 174.62 171.94 3dos s LYS 87 N -3.86 1.45 -0.23 3.99 -2.85 0.14 -1.06 119.74 117.31 3dos s LYS 87 Ca 0.23 -1.44 -0.03 0.00 -1.00 0.00 0.00 55.97 53.73 3dos s LYS 87 Cb 0.05 -1.85 0.01 0.00 -2.06 0.00 0.00 37.83 33.99 3dos s LYS 87 CO 0.04 0.42 -0.05 0.08 0.10 0.00 0.00 175.35 175.93 3dos s VAL 88 N -1.40 3.13 0.07 1.79 1.01 -1.26 -0.86 120.40 122.88 3dos s VAL 88 Ca 0.17 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3dos s VAL 88 Cb -0.09 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3dos s VAL 88 CO 0.08 0.32 0.00 0.27 0.00 0.00 0.00 175.10 175.77 3dos s ILE 89 N 1.41 0.19 0.15 2.22 -4.36 -0.86 -4.19 121.20 115.77 3dos s ILE 89 Ca 0.03 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.63 3dos s ILE 89 Cb -0.15 -1.59 0.01 0.00 1.25 0.00 0.00 42.46 41.97 3dos s ILE 89 CO -0.04 -0.88 0.23 0.61 0.24 0.00 0.00 174.94 175.10 3dos n GLY 90 N 0.06 2.49 3.32 6.27 0.00 0.11 -0.06 105.19 117.38 3dos n GLY 90 Ca -0.13 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.29 1.69 0.52 1.61 -0.14 -1.26 -0.49 119.74 119.37 3dos s LYS 91 Ca 0.11 -1.06 -0.01 0.00 -1.36 0.00 0.00 55.97 53.66 3dos s LYS 91 Cb -0.01 -1.84 0.10 0.00 -1.68 0.00 0.00 37.83 34.41 3dos s LYS 91 CO 0.08 0.48 0.71 -0.40 -0.76 0.00 0.00 175.35 175.46 3dos n ASP 92 N 1.81 0.89 -0.19 2.83 5.75 -0.46 -4.90 116.55 122.29 3dos n ASP 92 Ca -0.17 -1.77 -0.02 0.00 -0.01 0.00 0.00 54.79 52.82 3dos n ASP 92 Cb 0.52 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 40.19 3dos n ASP 92 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dos h SER 93 N -0.47 -0.62 -0.38 -1.12 4.64 -1.93 -0.62 113.55 113.05 3dos h SER 93 Ca -0.24 0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 3dos h SER 93 Cb 0.85 0.38 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 3dos h SER 93 CO 0.25 -0.21 0.15 -2.11 -0.87 0.00 0.00 176.83 174.03 3dos n ARG 94 N -5.41 2.33 -0.94 4.77 1.85 -1.26 -4.90 116.66 113.10 3dos n ARG 94 Ca 0.06 -1.52 0.00 0.00 -1.00 0.00 0.00 57.85 55.39 3dos n ARG 94 Cb 0.31 -1.74 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 3dos n ARG 94 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3dos n ASP 95 N 0.03 -3.57 -4.77 2.89 2.03 -0.24 -5.00 116.55 107.92 3dos n ASP 95 Ca 0.21 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.15 3dos n ASP 95 Cb 0.88 -1.91 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 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 -1.68 2.81 0.19 -0.67 2.99 -1.26 -4.72 117.98 115.63 3dos s PHE 96 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 56.93 58.17 3dos s PHE 96 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 43.02 39.59 3dos s PHE 96 CO 0.00 -1.52 1.20 -0.51 -0.00 0.00 0.00 175.22 174.39 3dos s ASP 97 N -1.51 7.07 0.10 1.36 1.01 -1.26 -1.36 116.67 122.09 3dos s ASP 97 Ca 0.67 2.25 0.00 0.00 0.71 0.00 0.00 52.55 56.18 3dos s ASP 97 Cb -0.27 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.01 3dos s ASP 97 CO 0.32 -0.38 -0.02 0.27 0.21 0.00 0.00 175.17 175.57 3dos s ILE 98 N -0.07 0.44 -0.01 0.77 -5.25 0.35 -4.20 121.20 113.23 3dos s ILE 98 Ca 0.53 -1.90 -0.09 0.00 -0.99 0.00 0.00 60.65 58.20 3dos s ILE 98 Cb -0.33 -1.78 0.01 0.00 2.95 0.00 0.00 42.46 43.31 3dos s ILE 98 CO 0.37 -0.77 0.18 -0.94 -1.79 0.00 0.00 174.94 171.99 3dos s SER 99 N -3.03 -0.05 0.85 4.36 1.04 -1.19 0.09 113.70 115.78 3dos s SER 99 Ca 0.15 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3dos s SER 99 Cb 0.07 0.25 0.13 0.00 0.10 0.00 0.00 66.02 66.57 3dos s SER 99 CO -0.04 -0.35 1.21 -2.16 0.98 0.00 0.00 173.24 172.88 3dos s PRO 100 N -1.18 1.45 0.41 4.02 0.04 -1.26 -4.72 135.00 133.76 3dos s PRO 100 Ca -0.13 -0.21 -0.25 0.00 0.04 0.00 0.00 61.00 60.46 3dos s PRO 100 Cb -0.06 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3dos s PRO 100 CO 0.02 -1.87 1.21 0.15 0.04 0.00 0.00 177.00 176.55 3dos s LYS 101 N -5.64 4.00 -0.17 4.56 1.02 -0.15 -4.45 119.74 118.92 3dos s LYS 101 Ca 0.67 1.94 -0.00 0.00 0.02 0.00 0.00 55.97 58.59 3dos s LYS 101 Cb -0.08 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3dos s LYS 101 CO 0.50 -0.40 -0.07 0.08 -0.92 0.00 0.00 175.35 174.54 3dos s VAL 102 N -1.37 1.24 -1.64 3.17 1.01 -0.35 -0.94 120.40 121.53 3dos s VAL 102 Ca 0.58 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 3dos s VAL 102 Cb -0.33 -1.36 0.13 0.00 0.00 0.00 0.00 36.38 34.81 3dos s VAL 102 CO 0.42 0.18 0.78 0.59 0.00 0.00 0.00 175.10 177.07 3dos n ASN 103 N 4.84 -3.23 0.00 3.32 3.02 0.25 -0.33 115.26 123.12 3dos n ASN 103 Ca -0.13 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3dos n ASN 103 Cb 0.48 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 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 -1.53 0.72 3.04 7.41 0.00 -1.26 -4.41 105.19 109.16 3dos n GLY 104 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.67 0.19 0.17 1.61 0.41 -1.08 -5.02 118.70 114.30 3dos s GLU 105 Ca 0.00 0.27 -0.30 0.00 -0.41 0.00 0.00 54.97 54.53 3dos s GLU 105 Cb 0.00 0.07 -0.08 0.00 -1.78 0.00 0.00 34.13 32.34 3dos s GLU 105 CO 0.00 -0.04 1.16 -0.80 -0.49 0.00 0.00 175.26 175.09 3dos s ASN 106 N 0.24 7.15 -0.07 -0.19 0.01 -1.26 -1.21 114.94 119.60 3dos s ASN 106 Ca -0.01 2.16 -0.24 0.00 -0.71 0.00 0.00 52.86 54.06 3dos s ASN 106 Cb -0.02 -2.60 -0.30 0.00 0.41 0.00 0.00 41.25 38.73 3dos s ASN 106 CO -0.01 -0.33 0.86 0.25 -1.51 0.00 0.00 177.10 176.36 3dos h LEU 107 N 5.37 0.35 -7.88 0.60 5.85 -1.86 -3.48 115.31 114.26 3dos h LEU 107 Ca -0.44 -0.96 -0.18 0.00 0.84 0.00 0.00 57.88 57.13 3dos h LEU 107 Cb 1.21 -0.11 -0.23 0.00 0.37 0.00 0.00 40.66 41.90 3dos h LEU 107 CO 0.74 1.30 -0.67 0.54 -0.34 0.00 0.00 178.44 180.01 3dos s VAL 108 N -2.38 0.08 0.01 1.05 0.11 -1.26 -5.10 120.40 112.91 3dos s VAL 108 Ca -0.15 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 3dos s VAL 108 Cb -0.00 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3dos s VAL 108 CO 0.80 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 3dos n GLY 109 N 2.00 -1.95 3.83 6.54 0.00 -1.26 -3.14 105.19 111.20 3dos n GLY 109 Ca -0.20 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -5.04 5.90 0.06 1.61 -0.00 -1.26 -4.92 116.67 113.03 3dos s ASP 110 Ca 0.00 1.64 -0.35 0.00 -0.00 0.00 0.00 52.55 53.83 3dos s ASP 110 Cb 0.00 -2.51 -0.15 0.00 -0.00 0.00 0.00 42.92 40.27 3dos s ASP 110 CO 0.00 -1.09 1.57 -0.67 -0.00 0.00 0.00 175.17 174.98 3dos n ASP 111 N -2.41 2.66 -4.23 0.27 2.03 -1.26 -4.84 116.55 108.78 3dos n ASP 111 Ca 0.07 1.08 -0.16 0.00 0.52 0.00 0.00 54.79 56.30 3dos n ASP 111 Cb 0.53 -1.32 -0.11 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.49 1.19 0.05 5.18 -7.23 -1.26 -4.98 120.40 114.83 3dos s VAL 112 Ca 0.84 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 58.93 3dos s VAL 112 Cb -0.79 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 3dos s VAL 112 CO 0.45 -0.54 1.28 -0.69 -0.31 0.00 0.00 175.10 175.29 3dos s VAL 113 N -2.51 3.84 0.96 1.32 1.01 -1.26 -0.28 120.40 123.48 3dos s VAL 113 Ca 0.10 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 3dos s VAL 113 Cb -0.03 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.69 3dos s VAL 113 CO 0.02 0.07 1.12 -0.76 0.00 0.00 0.00 175.10 175.55 3dos s LEU 114 N 1.43 2.46 0.45 3.92 1.43 0.21 -4.87 118.68 123.72 3dos s LEU 114 Ca 0.61 2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 55.51 3dos s LEU 114 Cb -0.31 -4.34 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 3dos s LEU 114 CO 0.28 -3.29 1.23 0.00 0.23 0.00 0.00 176.35 174.80 3dos s ALA 115 N -2.62 3.05 0.32 4.21 0.00 -1.26 -4.73 121.76 120.72 3dos s ALA 115 Ca 0.67 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 3dos s ALA 115 Cb -0.23 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3dos s ALA 115 CO 0.59 -0.79 1.33 2.41 0.00 0.00 0.00 175.76 179.29 3dos n THR 116 N -0.34 1.76 0.00 0.00 -1.04 -1.26 -3.89 114.28 109.52 3dos n THR 116 Ca 0.06 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3dos n THR 116 Cb 0.46 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.40 3dos n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dos n GLY 117 N 1.08 2.28 3.22 3.41 0.00 -1.26 -4.82 105.19 109.11 3dos n GLY 117 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.86 0.12 -0.07 1.61 1.04 -1.25 -3.42 113.70 109.86 3dos s SER 118 Ca 0.00 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 3dos s SER 118 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.49 3dos s SER 118 CO 0.00 -0.75 -0.04 -1.58 0.98 0.00 0.00 173.24 171.85 3dos s GLN 119 N -3.88 0.99 0.05 4.02 2.00 0.43 -4.54 119.66 118.73 3dos s GLN 119 Ca 0.07 -0.09 -0.24 0.00 -2.00 0.00 0.00 55.36 53.10 3dos s GLN 119 Cb 0.05 -1.11 -0.06 0.00 0.80 0.00 0.00 33.01 32.69 3dos s GLN 119 CO -0.09 -0.19 0.72 -0.51 -0.50 0.00 0.00 175.29 174.71 3dos s ASP 120 N 1.45 7.17 -0.03 6.67 1.01 -1.26 -1.03 116.67 130.65 3dos s ASP 120 Ca -0.02 1.39 0.05 0.00 0.71 0.00 0.00 52.55 54.68 3dos s ASP 120 Cb -0.13 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3dos s ASP 120 CO -0.03 0.07 -0.19 -0.36 0.21 0.00 0.00 175.17 174.87 3dos s PHE 121 N -0.25 1.76 -0.17 4.23 0.40 -0.08 -4.50 117.98 119.36 3dos s PHE 121 Ca 0.36 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 56.21 3dos s PHE 121 Cb -0.20 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 3dos s PHE 121 CO 0.22 -0.10 0.02 -0.06 0.70 0.00 0.00 175.22 175.99 3dos s PHE 122 N -0.22 3.15 -0.22 0.36 0.40 0.92 -0.31 117.98 122.05 3dos s PHE 122 Ca 0.02 -0.10 -0.24 0.00 -0.60 0.00 0.00 56.93 56.01 3dos s PHE 122 Cb -0.10 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 3dos s PHE 122 CO 0.01 0.06 0.78 0.08 0.70 0.00 0.00 175.22 176.85 3dos s VAL 123 N 0.38 4.89 -0.08 -0.44 1.01 -0.20 -2.02 120.40 123.93 3dos s VAL 123 Ca -0.00 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.51 3dos s VAL 123 Cb -0.13 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 3dos s VAL 123 CO 0.01 -0.01 -0.23 -0.13 0.00 0.00 0.00 175.10 174.74 3dos s ARG 124 N 2.52 2.70 0.32 2.72 1.81 -0.04 -0.01 118.95 128.97 3dos s ARG 124 Ca 0.34 -0.83 -0.29 0.00 -1.72 0.00 0.00 55.73 53.23 3dos s ARG 124 Cb -0.16 -2.13 -0.12 0.00 -0.45 0.00 0.00 34.95 32.09 3dos s ARG 124 CO 0.09 0.23 1.33 -1.13 -0.68 0.00 0.00 175.30 175.15 3dos n SER 125 N 3.35 2.87 0.00 0.23 3.41 -0.63 -0.69 113.62 122.16 3dos n SER 125 Ca -0.19 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 3dos n SER 125 Cb 0.53 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 3dos n SER 125 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dos n ILE 126 N 0.68 0.00 -3.12 -1.33 2.08 0.50 -1.56 119.36 116.62 3dos n ILE 126 Ca 0.06 0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.48 3dos n ILE 126 Cb 0.35 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 2.28 -0.82 3.22 7.39 0.00 -1.22 -4.43 105.19 111.60 3dos n GLY 127 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3dos n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dos s SER 128 N -4.00 3.34 0.49 1.61 0.15 -1.26 -1.05 113.70 112.98 3dos s SER 128 Ca 0.00 -0.54 0.28 0.00 0.70 0.00 0.00 55.95 56.39 3dos s SER 128 Cb 0.00 -1.49 1.04 0.00 -1.71 0.00 0.00 66.02 63.87 3dos s SER 128 CO 0.00 0.10 1.87 0.50 1.20 0.00 0.00 173.24 176.90 3dos h LYS 129 N 7.20 0.00 0.04 5.44 3.64 -1.99 -3.17 116.57 127.73 3dos h LYS 129 Ca -0.30 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.77 3dos h LYS 129 Cb 1.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 3dos h LYS 129 CO 0.55 0.10 -1.72 0.78 -2.27 0.00 0.00 179.45 176.89 3dos h GLY 130 N 2.32 0.10 0.00 5.01 0.00 -1.95 -3.51 103.07 105.04 3dos h GLY 130 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3dos h GLY 130 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.39 3dos n GLY 131 N 1.66 -0.73 3.17 4.60 0.00 -1.20 -4.97 105.19 107.71 3dos n GLY 131 Ca -0.19 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 3dos n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dos n LYS 132 N -1.28 -6.29 -2.18 1.61 4.01 -1.21 -4.89 118.16 107.94 3dos n LYS 132 Ca 0.00 0.69 -0.42 0.00 -0.51 0.00 0.00 58.31 58.07 3dos n LYS 132 Cb 0.00 -5.28 -0.03 0.00 -0.51 0.00 0.00 35.03 29.21 3dos n LYS 132 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3dos s LEU 133 N -6.04 4.34 0.17 -0.35 1.43 -0.25 -4.99 118.68 113.00 3dos s LEU 133 Ca 0.36 2.23 -0.09 0.00 -1.03 0.00 0.00 54.13 55.59 3dos s LEU 133 Cb -0.16 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 3dos s LEU 133 CO 0.60 -0.71 0.48 0.00 0.23 0.00 0.00 176.35 176.95 3dos s ALA 134 N 1.93 3.65 0.46 4.21 0.00 -1.26 -4.75 121.76 126.00 3dos s ALA 134 Ca 0.65 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3dos s ALA 134 Cb -0.34 -2.34 -0.08 0.00 0.00 0.00 0.00 23.12 20.36 3dos s ALA 134 CO 0.28 0.55 1.41 0.00 0.00 0.00 0.00 175.76 178.00 3dos s ALA 135 N -1.67 3.18 0.00 0.00 0.00 -1.26 -4.89 121.76 117.13 3dos s ALA 135 Ca 0.42 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3dos s ALA 135 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3dos s ALA 135 CO 0.21 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3dos n GLY 136 N 0.60 0.72 3.69 0.00 0.00 -1.26 -5.08 105.19 103.86 3dos n GLY 136 Ca 0.06 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 3dos n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dos s LYS 137 N -1.89 4.26 -0.15 1.61 -0.14 -1.26 -5.05 119.74 117.12 3dos s LYS 137 Ca 0.00 0.40 -0.03 0.00 -1.36 0.00 0.00 55.97 54.98 3dos s LYS 137 Cb 0.00 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.62 3dos s LYS 137 CO 0.00 0.01 -0.05 0.71 -0.76 0.00 0.00 175.35 175.26 3dos s TYR 138 N 1.13 3.00 0.09 3.18 1.51 -1.26 -2.72 117.35 122.27 3dos s TYR 138 Ca 0.24 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 3dos s TYR 138 Cb -0.15 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 3dos s TYR 138 CO 0.10 -0.04 -0.09 0.95 -1.11 0.00 0.00 175.55 175.36 3dos s THR 139 N 0.30 0.80 -0.02 -0.71 -4.23 0.44 -4.84 115.64 107.38 3dos s THR 139 Ca -0.04 -1.65 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 3dos s THR 139 Cb -0.14 -1.35 0.01 0.00 1.34 0.00 0.00 72.50 72.36 3dos s THR 139 CO 0.03 -0.64 0.20 -0.62 -0.54 0.00 0.00 174.62 173.05 3dos s ASP 140 N -2.51 -0.07 -0.30 3.99 2.15 -1.26 -1.32 116.67 117.34 3dos s ASP 140 Ca 0.05 -0.03 -0.02 0.00 0.43 0.00 0.00 52.55 52.99 3dos s ASP 140 Cb -0.01 0.27 0.05 0.00 -0.30 0.00 0.00 42.92 42.93 3dos s ASP 140 CO -0.01 -0.34 -0.00 0.00 -0.17 0.00 0.00 175.17 174.64 3dos s ALA 141 N -1.13 2.80 -0.22 3.66 0.00 -1.26 -5.10 121.76 120.51 3dos s ALA 141 Ca -0.12 -1.75 -0.05 0.00 0.00 0.00 0.00 51.96 50.04 3dos s ALA 141 Cb -0.06 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.12 3dos s ALA 141 CO 0.02 -1.26 -0.01 0.08 0.00 0.00 0.00 175.76 174.59 3dos s VAL 142 N 1.25 3.65 -0.23 0.00 1.01 -1.26 -4.43 120.40 120.39 3dos s VAL 142 Ca -0.05 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3dos s VAL 142 Cb -0.20 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3dos s VAL 142 CO -0.01 0.40 0.85 -0.89 0.00 0.00 0.00 175.10 175.45 3dos s THR 143 N 1.45 4.83 -0.44 3.92 2.01 -0.16 -4.94 115.64 122.32 3dos s THR 143 Ca 0.05 1.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.51 3dos s THR 143 Cb -0.14 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.27 3dos s THR 143 CO -0.01 -0.07 0.36 -0.69 -0.69 0.00 0.00 174.62 173.52 3dos s VAL 144 N 2.77 5.23 -0.20 3.82 1.01 -1.26 -0.78 120.40 130.99 3dos s VAL 144 Ca 0.36 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3dos s VAL 144 Cb -0.15 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3dos s VAL 144 CO 0.08 -0.44 0.25 -0.89 0.00 0.00 0.00 175.10 174.10 3dos s THR 145 N 1.73 5.31 -0.20 3.92 2.01 -0.27 -4.95 115.64 123.18 3dos s THR 145 Ca 0.05 0.42 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 3dos s THR 145 Cb -0.21 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.73 3dos s THR 145 CO 0.09 0.34 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 3dos s VAL 146 N 0.89 2.45 -0.67 3.82 1.01 -1.26 -1.15 120.40 125.48 3dos s VAL 146 Ca 0.13 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3dos s VAL 146 Cb -0.13 -2.11 0.14 0.00 0.00 0.00 0.00 36.38 34.28 3dos s VAL 146 CO 0.04 0.43 0.71 -0.44 0.00 0.00 0.00 175.10 175.85 3dos s SER 147 N 1.32 6.37 0.28 3.32 0.01 0.66 -5.02 113.70 120.65 3dos s SER 147 Ca 0.04 -1.89 -0.29 0.00 1.31 0.00 0.00 55.95 55.11 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 -0.91 1.29 0.20 0.41 0.00 0.00 173.24 174.14 3dos s ASN 148 N 3.27 6.86 0.00 2.44 0.01 -1.26 -4.83 114.94 121.43 3dos s ASN 148 Ca 0.13 2.55 0.01 0.00 -0.71 0.00 0.00 52.86 54.84 3dos s ASN 148 Cb -0.20 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 38.88 3dos s ASN 148 CO 0.00 -0.50 0.55 0.00 -1.51 0.00 0.00 177.10 175.64