#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dit n SER 2 N 0.00 1.99 -4.10 1.61 2.88 -1.26 -5.00 113.62 109.74 2dit n SER 2 Ca 0.00 0.04 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 2dit n SER 2 Cb 0.00 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 62.90 2dit n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dit n SER 3 N -3.60 -2.95 -3.68 -3.46 7.64 -1.26 -4.94 113.62 101.38 2dit n SER 3 Ca -0.48 -0.96 -0.11 0.00 1.01 0.00 0.00 58.87 58.32 2dit n SER 3 Cb 0.94 -3.05 -0.06 0.00 -1.01 0.00 0.00 64.21 61.03 2dit n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dit s GLY 4 N -3.53 -0.23 0.15 0.23 0.00 -1.26 -5.14 107.32 97.54 2dit s GLY 4 Ca 0.56 0.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 2dit s GLY 4 CO 0.90 -0.21 1.27 -1.35 0.00 0.00 0.00 173.10 173.71 2dit s SER 5 N -2.43 6.98 1.02 1.64 1.04 -1.26 -4.99 113.70 115.70 2dit s SER 5 Ca -0.01 2.26 -0.19 0.00 0.48 0.00 0.00 55.95 58.49 2dit s SER 5 Cb 0.01 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.56 2dit s SER 5 CO -0.07 -0.49 -0.38 -1.54 0.98 0.00 0.00 173.24 171.74 2dit n SER 6 N 3.08 -2.67 -4.81 7.02 3.41 -1.26 -4.92 113.62 113.48 2dit n SER 6 Ca 0.07 -0.15 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 2dit n SER 6 Cb 0.44 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 2dit n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dit s GLY 7 N -1.57 2.59 -0.29 5.00 0.00 -1.26 -5.05 107.32 106.73 2dit s GLY 7 Ca 0.42 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.51 2dit s GLY 7 CO 0.54 0.71 0.03 -0.32 0.00 0.00 0.00 173.10 174.06 2dit s GLY 8 N -1.87 1.41 0.09 0.20 0.00 -1.26 -4.96 107.32 100.93 2dit s GLY 8 Ca 0.53 -1.81 0.18 0.00 0.00 0.00 0.00 44.72 43.61 2dit s GLY 8 CO 0.19 1.17 1.55 -1.55 0.00 0.00 0.00 173.10 174.46 2dit n PRO 9 N 4.61 0.07 -0.68 2.90 -0.04 -1.26 -4.83 135.00 135.76 2dit n PRO 9 Ca -0.04 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.47 2dit n PRO 9 Cb 0.43 -1.64 0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2dit n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dit n SER 10 N -1.77 -2.69 -4.74 3.54 3.41 -1.26 -4.97 113.62 105.14 2dit n SER 10 Ca 0.03 -0.19 -0.36 0.00 -0.26 0.00 0.00 58.87 58.09 2dit n SER 10 Cb 0.19 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 2dit n SER 10 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dit s ARG 11 N -3.13 3.25 0.94 4.33 0.52 -1.26 -5.09 118.95 118.51 2dit s ARG 11 Ca 0.43 -0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.21 2dit s ARG 11 Cb -0.05 -2.97 0.07 0.00 0.52 0.00 0.00 34.95 32.52 2dit s ARG 11 CO 0.52 0.68 0.65 -1.33 0.02 0.00 0.00 175.30 175.83 2dit n MET 12 N 2.26 -0.34 -3.56 3.54 2.81 -1.26 -4.98 117.12 115.58 2dit n MET 12 Ca -0.19 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.38 2dit n MET 12 Cb 0.54 -2.03 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 2dit n MET 12 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2dit n ARG 13 N -2.51 1.33 -3.69 0.03 3.00 -1.26 -5.07 116.66 108.49 2dit n ARG 13 Ca 0.08 -3.97 0.00 0.00 -0.00 0.00 0.00 57.85 53.97 2dit n ARG 13 Cb 0.53 -1.95 -0.00 0.00 0.00 0.00 0.00 32.46 31.03 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2dit s HIS 14 N -1.18 -0.05 -0.27 -0.14 -3.43 -1.26 -5.12 115.29 103.84 2dit s HIS 14 Ca 0.31 -0.11 -0.29 0.00 -0.80 0.00 0.00 55.06 54.17 2dit s HIS 14 Cb 0.05 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.76 2dit s HIS 14 CO -0.14 -0.43 1.48 -1.21 -2.00 0.00 0.00 174.74 172.44 2dit s GLU 15 N -2.57 3.81 -0.07 -0.38 8.01 -1.26 -4.83 118.70 121.41 2dit s GLU 15 Ca 0.15 1.42 0.11 0.00 0.01 0.00 0.00 54.97 56.66 2dit s GLU 15 Cb 0.03 -3.98 0.21 0.00 -4.31 0.00 0.00 34.13 26.08 2dit s GLU 15 CO -0.02 -1.27 1.10 2.89 0.01 0.00 0.00 175.26 177.97 2dit n ARG 16 N 7.59 0.59 -4.86 1.61 1.85 -1.26 -4.79 116.66 117.38 2dit n ARG 16 Ca 0.17 -1.93 -0.29 0.00 -1.00 0.00 0.00 57.85 54.80 2dit n ARG 16 Cb 0.46 -0.86 -0.15 0.00 -1.05 0.00 0.00 32.46 30.86 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2dit s VAL 17 N -1.28 2.02 0.12 8.89 1.01 -1.26 0.13 120.40 130.03 2dit s VAL 17 Ca 0.20 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.94 2dit s VAL 17 Cb 0.19 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2dit s VAL 17 CO -0.03 0.34 -0.23 0.68 0.00 0.00 0.00 175.10 175.86 2dit s VAL 18 N -0.79 1.96 0.13 2.92 -7.23 -0.45 -0.97 120.40 115.97 2dit s VAL 18 Ca 0.11 -1.66 0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2dit s VAL 18 Cb -0.10 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2dit s VAL 18 CO 0.02 -0.01 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.00 2dit s ILE 19 N -1.16 2.87 0.02 -0.62 -1.09 0.58 -1.83 121.20 119.96 2dit s ILE 19 Ca 0.10 -1.57 0.03 0.00 -2.23 0.00 0.00 60.65 56.98 2dit s ILE 19 Cb -0.10 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 2dit s ILE 19 CO 0.05 0.05 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.08 2dit s ILE 20 N -1.29 0.72 0.18 2.92 -1.09 -1.10 -2.27 121.20 119.27 2dit s ILE 20 Ca 0.19 -0.66 0.09 0.00 -2.23 0.00 0.00 60.65 58.04 2dit s ILE 20 Cb -0.10 -0.66 -0.04 0.00 -1.58 0.00 0.00 42.46 40.08 2dit s ILE 20 CO 0.11 0.01 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.10 2dit s LYS 21 N -0.73 1.35 -1.24 2.79 -0.14 -1.14 -3.06 119.74 117.55 2dit s LYS 21 Ca -0.00 -1.47 -0.10 0.00 -1.36 0.00 0.00 55.97 53.03 2dit s LYS 21 Cb -0.06 -1.41 -0.01 0.00 -1.68 0.00 0.00 37.83 34.67 2dit s LYS 21 CO 0.00 0.28 0.68 -1.71 -0.76 0.00 0.00 175.35 173.84 2dit n ASN 22 N 0.14 -3.07 0.00 2.83 5.15 -0.49 -3.29 115.26 116.53 2dit n ASN 22 Ca -0.12 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 2dit n ASN 22 Cb 0.58 -3.53 0.00 0.00 -0.53 0.00 0.00 39.78 36.30 2dit n ASN 22 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2dit n MET 23 N -4.22 0.78 -3.86 1.20 0.00 -1.25 -4.27 117.12 105.50 2dit n MET 23 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.42 2dit n MET 23 Cb 0.64 -0.95 -0.01 0.00 0.00 0.00 0.00 33.22 32.89 2dit n MET 23 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2dit s PHE 24 N -1.82 -0.01 -0.04 3.17 -0.12 -1.26 -4.39 117.98 113.50 2dit s PHE 24 Ca 0.00 -0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 56.33 2dit s PHE 24 Cb 0.00 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 43.08 2dit s PHE 24 CO 0.00 -1.31 0.14 -1.58 -0.05 0.00 0.00 175.22 172.42 2dit s HIS 25 N -3.44 -0.12 0.06 3.49 2.46 -1.26 -2.69 115.29 113.79 2dit s HIS 25 Ca 0.14 0.29 -0.19 0.00 0.47 0.00 0.00 55.06 55.78 2dit s HIS 25 Cb -0.05 0.03 -0.13 0.00 -0.13 0.00 0.00 32.58 32.31 2dit s HIS 25 CO 0.09 -0.10 1.37 -1.00 -2.47 0.00 0.00 174.74 172.63 2dit h PRO 26 N 5.70 0.46 0.00 2.88 0.13 -1.79 -2.88 132.00 136.49 2dit h PRO 26 Ca -0.26 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2dit h PRO 26 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dit h PRO 26 CO 0.42 0.81 0.05 -1.33 -0.23 0.00 0.00 178.00 177.71 2dit n MET 27 N -4.47 0.04 0.04 0.86 2.81 -1.26 -0.98 117.12 114.15 2dit n MET 27 Ca -0.05 0.51 -0.20 0.00 -1.81 0.00 0.00 57.70 56.14 2dit n MET 27 Cb 0.39 -1.68 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 2dit n MET 27 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2dit h ASP 28 N 0.00 0.45 0.58 7.83 3.32 -1.90 -3.34 116.42 123.36 2dit h ASP 28 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 2dit h ASP 28 Cb 0.10 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2dit h ASP 28 CO 0.00 1.70 -0.12 -0.26 -1.72 0.00 0.00 179.24 178.84 2dit h PHE 29 N 0.08 0.00 0.00 4.55 0.04 -1.07 -1.95 116.94 118.59 2dit h PHE 29 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2dit h PHE 29 Cb 2.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.20 2dit h PHE 29 CO 0.08 0.12 0.00 0.93 -0.60 0.00 0.00 178.31 178.84 2dit h GLU 30 N 0.00 0.00 0.00 1.51 5.08 -1.63 -2.86 114.58 116.68 2dit h GLU 30 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2dit h GLU 30 Cb 0.44 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2dit h GLU 30 CO 0.02 0.00 -2.31 -3.47 -1.00 0.00 0.00 179.01 172.25 2dit n ASP 31 N -2.43 0.53 -3.64 1.42 2.03 -0.75 -5.01 116.55 108.70 2dit n ASP 31 Ca 0.01 0.04 -0.08 0.00 0.52 0.00 0.00 54.79 55.28 2dit n ASP 31 Cb 0.23 0.55 -0.07 0.00 -0.72 0.00 0.00 41.12 41.11 2dit n ASP 31 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2dit s ASP 32 N -5.80 -0.46 0.19 1.67 1.01 -1.08 -5.05 116.67 107.16 2dit s ASP 32 Ca -0.14 0.86 -0.05 0.00 0.71 0.00 0.00 52.55 53.93 2dit s ASP 32 Cb 0.07 0.91 0.12 0.00 1.01 0.00 0.00 42.92 45.03 2dit s ASP 32 CO 0.79 -0.15 1.55 1.55 0.21 0.00 0.00 175.17 179.12 2dit h PRO 33 N 4.42 0.69 -0.91 8.23 0.13 -1.88 -3.25 132.00 139.43 2dit h PRO 33 Ca -0.28 -0.36 0.21 0.00 -0.87 0.00 0.00 66.00 64.70 2dit h PRO 33 Cb 1.18 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dit h PRO 33 CO 0.12 0.97 -0.11 1.28 -0.23 0.00 0.00 178.00 180.03 2dit n LEU 34 N -4.03 -0.22 -0.26 1.56 7.99 -1.26 -0.14 117.00 120.64 2dit n LEU 34 Ca -0.02 1.56 -0.09 0.00 -0.01 0.00 0.00 56.01 57.45 2dit n LEU 34 Cb 0.53 -0.52 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 2dit n LEU 34 CO 0.46 -1.54 0.54 0.58 -1.51 0.00 0.00 177.39 175.93 2dit h VAL 35 N 0.00 0.05 -0.34 4.08 2.07 -1.91 0.39 116.25 120.59 2dit h VAL 35 Ca 0.49 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.94 2dit h VAL 35 Cb 0.89 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2dit h VAL 35 CO -0.90 0.00 -0.09 0.25 0.02 0.00 0.00 177.57 176.85 2dit h LEU 36 N -0.18 0.55 0.69 2.57 5.85 -0.75 -1.83 115.31 122.21 2dit h LEU 36 Ca 0.18 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2dit h LEU 36 Cb 0.54 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2dit h LEU 36 CO -0.76 0.69 -0.33 0.78 -0.34 0.00 0.00 178.44 178.48 2dit h ASN 37 N 0.53 -0.78 -0.73 1.25 2.35 0.68 0.26 115.58 119.14 2dit h ASN 37 Ca 0.10 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2dit h ASN 37 Cb 0.48 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.98 2dit h ASN 37 CO 0.03 -0.55 0.38 1.05 -1.65 0.00 0.00 177.43 176.69 2dit h GLU 38 N -0.94 0.62 0.40 0.81 4.11 -0.43 -1.05 114.58 118.09 2dit h GLU 38 Ca -0.09 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2dit h GLU 38 Cb 0.71 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dit h GLU 38 CO 0.15 0.41 -0.19 0.82 0.07 0.00 0.00 179.01 180.28 2dit h ILE 39 N 0.64 0.61 0.30 -1.06 2.04 -1.26 0.52 117.51 119.31 2dit h ILE 39 Ca 0.36 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.16 2dit h ILE 39 Cb 0.36 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2dit h ILE 39 CO -0.26 0.01 -0.50 -0.09 0.00 0.00 0.00 178.15 177.31 2dit h ARG 40 N -0.56 -0.83 -0.78 2.37 2.43 -0.06 -1.44 114.38 115.52 2dit h ARG 40 Ca -0.05 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 2dit h ARG 40 Cb 0.43 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 2dit h ARG 40 CO 0.09 -0.55 0.51 1.05 -1.51 0.00 0.00 179.97 179.56 2dit h GLU 41 N -0.86 0.55 -0.65 0.20 4.11 -1.21 -0.99 114.58 115.73 2dit h GLU 41 Ca -0.03 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.38 2dit h GLU 41 Cb 0.81 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2dit h GLU 41 CO -0.17 0.36 0.42 -0.44 0.07 0.00 0.00 179.01 179.25 2dit h ASP 42 N 0.56 0.72 0.45 3.06 5.19 0.10 0.16 116.42 126.68 2dit h ASP 42 Ca 0.37 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.71 2dit h ASP 42 Cb 0.67 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2dit h ASP 42 CO -0.14 0.52 -0.29 -0.07 -3.12 0.00 0.00 179.24 176.14 2dit h LEU 43 N 0.86 0.00 0.00 1.55 3.38 -0.23 0.24 115.31 121.11 2dit h LEU 43 Ca 0.24 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 2dit h LEU 43 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2dit h LEU 43 CO -0.06 0.29 -1.12 -0.09 0.09 0.00 0.00 178.44 177.55 2dit h ARG 44 N 0.00 0.01 0.00 1.13 2.43 -0.86 -2.70 114.38 114.39 2dit h ARG 44 Ca -0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2dit h ARG 44 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2dit h ARG 44 CO 0.04 0.92 -1.01 -0.39 -1.51 0.00 0.00 179.97 178.02 2dit h VAL 45 N 0.00 0.38 0.15 0.20 -1.51 -0.36 -3.10 116.25 112.00 2dit h VAL 45 Ca -0.06 -1.67 -0.20 0.00 -1.23 0.00 0.00 66.70 63.55 2dit h VAL 45 Cb 1.81 1.95 0.02 0.00 -2.13 0.00 0.00 31.29 32.94 2dit h VAL 45 CO 0.12 0.22 -0.88 1.05 -1.23 0.00 0.00 177.57 176.85 2dit h GLU 46 N 0.00 0.31 0.00 5.19 4.11 -0.60 -3.14 114.58 120.45 2dit h GLU 46 Ca -0.07 -0.53 0.00 0.00 0.07 0.00 0.00 59.36 58.83 2dit h GLU 46 Cb 1.33 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2dit h GLU 46 CO 0.03 1.25 0.00 0.00 0.07 0.00 0.00 179.01 180.37 2dit h SER 48 N 0.00 0.17 -0.98 0.00 0.87 -1.61 -3.31 113.55 108.69 2dit h SER 48 Ca 0.00 -0.16 0.24 0.00 -1.23 0.00 0.00 61.79 60.64 2dit h SER 48 Cb 0.62 -0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 62.35 2dit h SER 48 CO 0.00 1.04 -0.08 0.11 -0.53 0.00 0.00 176.83 177.37 2dit h LYS 49 N 0.05 0.01 0.00 2.24 1.79 -1.47 1.44 116.57 120.63 2dit h LYS 49 Ca -0.04 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.29 2dit h LYS 49 Cb 1.66 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.29 2dit h LYS 49 CO 0.14 0.00 -0.63 0.74 -1.08 0.00 0.00 179.45 178.63 2dit h PHE 50 N 0.01 0.00 0.00 -1.35 -1.00 -1.76 -3.48 116.94 109.36 2dit h PHE 50 Ca 0.55 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.33 2dit h PHE 50 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 2dit h PHE 50 CO -0.60 0.63 0.00 0.41 -1.61 0.00 0.00 178.31 177.14 2dit n GLY 51 N 0.46 -1.08 2.78 -1.45 0.00 0.49 -5.04 105.19 101.35 2dit n GLY 51 Ca -0.01 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 2dit n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dit n GLN 52 N 0.00 0.48 -3.99 1.61 6.02 -1.24 -4.63 117.38 115.64 2dit n GLN 52 Ca 0.00 -2.57 -0.31 0.00 -0.01 0.00 0.00 57.00 54.11 2dit n GLN 52 Cb 0.00 2.29 -0.15 0.00 1.02 0.00 0.00 30.24 33.40 2dit n GLN 52 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2dit s ILE 53 N -2.93 2.08 0.40 5.09 -1.09 -1.26 -4.38 121.20 119.11 2dit s ILE 53 Ca 0.29 -2.17 0.08 0.00 -2.23 0.00 0.00 60.65 56.62 2dit s ILE 53 Cb 0.00 -2.52 0.23 0.00 -1.58 0.00 0.00 42.46 38.59 2dit s ILE 53 CO 0.20 -0.57 2.01 0.03 -1.23 0.00 0.00 174.94 175.39 2dit h ARG 54 N 7.69 0.43 -1.56 2.79 2.47 -1.86 -3.44 114.38 120.88 2dit h ARG 54 Ca -0.06 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2dit h ARG 54 Cb 1.02 -0.08 -0.26 0.00 -1.65 0.00 0.00 29.97 29.00 2dit h ARG 54 CO 0.51 0.36 0.49 0.21 0.56 0.00 0.00 179.97 182.10 2dit s LYS 55 N -5.22 0.49 -0.04 0.04 2.36 -1.22 -4.98 119.74 111.17 2dit s LYS 55 Ca -0.07 0.51 0.03 0.00 -2.55 0.00 0.00 55.97 53.88 2dit s LYS 55 Cb 0.17 0.24 0.01 0.00 -1.05 0.00 0.00 37.83 37.19 2dit s LYS 55 CO 0.73 -0.07 -0.11 -1.17 1.55 0.00 0.00 175.35 176.28 2dit s LEU 56 N 0.05 1.72 -0.05 5.43 2.96 -1.26 0.23 118.68 127.76 2dit s LEU 56 Ca 0.03 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2dit s LEU 56 Cb -0.04 -0.71 0.03 0.00 0.50 0.00 0.00 46.19 45.97 2dit s LEU 56 CO -0.06 0.06 0.08 -0.76 -1.32 0.00 0.00 176.35 174.35 2dit s LEU 57 N 0.39 0.25 -0.33 -0.68 1.43 -0.57 -5.03 118.68 114.14 2dit s LEU 57 Ca -0.08 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2dit s LEU 57 Cb -0.12 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.09 2dit s LEU 57 CO 0.02 -0.23 0.17 -0.22 0.23 0.00 0.00 176.35 176.32 2dit s LEU 58 N 2.00 4.32 -1.46 1.79 0.20 -1.26 -0.24 118.68 124.03 2dit s LEU 58 Ca 0.02 -0.70 -0.11 0.00 0.69 0.00 0.00 54.13 54.02 2dit s LEU 58 Cb -0.12 -2.00 0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2dit s LEU 58 CO -0.04 -0.26 2.37 0.49 -0.29 0.00 0.00 176.35 178.62 2dit n PHE 59 N 4.98 3.03 0.26 5.38 3.72 -0.32 -4.71 117.46 129.81 2dit n PHE 59 Ca -0.13 -2.96 0.10 0.00 -0.05 0.00 0.00 57.45 54.41 2dit n PHE 59 Cb 0.48 -2.36 0.54 0.00 -0.94 0.00 0.00 39.48 37.21 2dit n PHE 59 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2dit h ASP 60 N 5.55 0.00 0.08 4.37 2.03 -1.95 -0.47 116.42 126.02 2dit h ASP 60 Ca 0.63 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.93 2dit h ASP 60 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2dit h ASP 60 CO 1.77 0.00 -0.04 0.03 -1.03 0.00 0.00 179.24 179.98 2dit h ARG 61 N 0.00 -0.10 -6.51 4.15 -0.00 -1.92 -3.36 114.38 106.63 2dit h ARG 61 Ca 0.00 0.01 -0.53 0.00 -0.50 0.00 0.00 59.98 58.96 2dit h ARG 61 Cb 0.78 0.02 0.04 0.00 0.00 0.00 0.00 29.97 30.81 2dit h ARG 61 CO 0.00 0.17 1.12 1.58 0.00 0.00 0.00 179.97 182.85 2dit n HIS 62 N -5.01 2.65 0.19 3.04 -0.00 -0.19 -4.86 115.22 111.04 2dit n HIS 62 Ca -0.08 -0.17 0.05 0.00 0.46 0.00 0.00 57.72 57.97 2dit n HIS 62 Cb 0.18 -2.74 0.38 0.00 -0.12 0.00 0.00 29.99 27.68 2dit n HIS 62 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2dit h PRO 63 N 8.65 0.00 -0.94 1.57 0.13 -1.86 -2.80 132.00 136.74 2dit h PRO 63 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2dit h PRO 63 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2dit h PRO 63 CO 0.95 0.37 0.01 -0.25 -0.23 0.00 0.00 178.00 178.85 2dit n ASP 64 N -3.75 1.91 -2.94 1.44 9.92 -1.26 -4.62 116.55 117.24 2dit n ASP 64 Ca -0.01 -2.16 -0.01 0.00 -0.53 0.00 0.00 54.79 52.08 2dit n ASP 64 Cb 0.45 -0.53 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dit n GLY 65 N 0.12 -2.18 3.16 0.44 0.00 -1.06 -1.40 105.19 104.27 2dit n GLY 65 Ca 0.05 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 2dit n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dit s VAL 66 N -1.04 1.70 0.05 1.61 1.01 -1.26 -2.57 120.40 119.90 2dit s VAL 66 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2dit s VAL 66 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2dit s VAL 66 CO 0.38 0.48 -0.11 0.00 0.00 0.00 0.00 175.10 175.85 2dit s ALA 67 N 0.29 0.84 -0.28 5.51 0.00 -1.17 -1.17 121.76 125.77 2dit s ALA 67 Ca -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2dit s ALA 67 Cb -0.16 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.00 2dit s ALA 67 CO 0.06 0.08 -0.06 0.45 0.00 0.00 0.00 175.76 176.28 2dit s SER 68 N -1.51 4.54 -0.34 0.00 0.15 0.66 -2.72 113.70 114.49 2dit s SER 68 Ca -0.05 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 54.87 2dit s SER 68 Cb -0.09 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2dit s SER 68 CO 0.01 -0.25 0.18 -0.69 1.20 0.00 0.00 173.24 173.69 2dit s VAL 69 N 1.04 4.67 0.36 4.45 1.01 -0.76 -1.50 120.40 129.67 2dit s VAL 69 Ca -0.03 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2dit s VAL 69 Cb -0.20 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 2dit s VAL 69 CO -0.06 -0.04 0.83 -0.44 0.00 0.00 0.00 175.10 175.39 2dit s SER 70 N 1.61 6.89 0.18 3.32 0.01 0.14 -1.34 113.70 124.50 2dit s SER 70 Ca 0.04 1.48 0.04 0.00 1.31 0.00 0.00 55.95 58.82 2dit s SER 70 Cb -0.18 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2dit s SER 70 CO 0.07 -0.24 -0.06 -0.36 0.41 0.00 0.00 173.24 173.06 2dit s PHE 71 N -2.01 1.38 -0.21 2.43 0.40 0.35 -2.97 117.98 117.36 2dit s PHE 71 Ca 0.56 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 2dit s PHE 71 Cb -0.11 -0.75 -0.19 0.00 0.51 0.00 0.00 43.02 42.48 2dit s PHE 71 CO 0.16 0.03 0.06 -2.13 0.70 0.00 0.00 175.22 174.04 2dit n ARG 72 N -0.29 0.64 -4.26 0.44 3.00 -1.26 -4.78 116.66 110.15 2dit n ARG 72 Ca -0.08 0.34 -0.35 0.00 -0.00 0.00 0.00 57.85 57.76 2dit n ARG 72 Cb 0.62 -1.64 -0.09 0.00 0.00 0.00 0.00 32.46 31.35 2dit n ARG 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dit s ASP 73 N -6.99 5.47 0.37 6.15 1.11 -1.26 -5.01 116.67 116.52 2dit s ASP 73 Ca -0.30 0.20 0.16 0.00 0.18 0.00 0.00 52.55 52.79 2dit s ASP 73 Cb 0.09 -1.62 0.72 0.00 1.07 0.00 0.00 42.92 43.18 2dit s ASP 73 CO 0.62 0.37 1.78 1.55 1.18 0.00 0.00 175.17 180.68 2dit h PRO 74 N 5.23 0.00 0.00 8.23 0.13 -1.92 -3.18 132.00 140.49 2dit h PRO 74 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2dit h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dit h PRO 74 CO 0.56 0.39 -0.00 0.93 -0.23 0.00 0.00 178.00 179.65 2dit h GLU 75 N 0.00 -0.00 0.24 0.86 5.08 -1.95 -1.70 114.58 117.10 2dit h GLU 75 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dit h GLU 75 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2dit h GLU 75 CO 0.05 0.24 -0.23 0.93 -1.00 0.00 0.00 179.01 179.00 2dit h GLU 76 N -0.25 -0.45 -0.27 2.33 3.07 -1.96 -2.09 114.58 114.96 2dit h GLU 76 Ca -0.00 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 2dit h GLU 76 Cb 0.24 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 2dit h GLU 76 CO 0.00 -0.30 -0.54 0.00 -1.40 0.00 0.00 179.01 176.77 2dit h ALA 77 N -1.38 -0.83 -1.04 3.43 0.00 -1.64 0.69 119.26 118.50 2dit h ALA 77 Ca -0.03 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.15 2dit h ALA 77 Cb 0.40 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2dit h ALA 77 CO -0.02 -1.06 0.98 -0.44 0.00 0.00 0.00 179.25 178.71 2dit h ASP 78 N -0.48 0.00 0.34 0.00 5.19 -1.27 1.71 116.42 121.91 2dit h ASP 78 Ca 0.05 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 2dit h ASP 78 Cb 0.62 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 2dit h ASP 78 CO -0.51 0.00 -1.73 0.00 -3.12 0.00 0.00 179.24 173.88 2dit n TYR 79 N -3.65 0.37 0.06 4.55 9.36 0.13 -4.09 117.16 123.90 2dit n TYR 79 Ca 0.23 0.11 -0.08 0.00 3.32 0.00 0.00 57.90 61.48 2dit n TYR 79 Cb 1.31 -0.75 -0.12 0.00 -0.63 0.00 0.00 39.34 39.15 2dit n TYR 79 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dit h ILE 81 N 0.01 0.38 0.00 0.00 -0.00 -0.74 0.47 117.51 117.62 2dit h ILE 81 Ca -0.03 -1.05 -0.12 0.00 -0.00 0.00 0.00 64.86 63.67 2dit h ILE 81 Cb 1.79 1.79 -0.02 0.00 -0.00 0.00 0.00 36.82 40.38 2dit h ILE 81 CO 0.13 0.16 -1.37 0.00 -0.00 0.00 0.00 178.15 177.08 2dit n GLN 82 N -3.27 0.62 -0.01 0.16 10.64 -1.22 -3.06 117.38 121.24 2dit n GLN 82 Ca 0.01 0.16 0.07 0.00 -1.83 0.00 0.00 57.00 55.41 2dit n GLN 82 Cb 0.44 -1.79 -0.14 0.00 -0.86 0.00 0.00 30.24 27.89 2dit n GLN 82 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dit n THR 83 N -2.79 0.36 1.07 -0.39 -1.04 -1.07 -4.18 114.28 106.25 2dit n THR 83 Ca -0.07 -0.57 0.12 0.00 -2.04 0.00 0.00 64.05 61.48 2dit n THR 83 Cb 0.75 -0.15 0.15 0.00 -1.82 0.00 0.00 70.33 69.26 2dit n THR 83 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dit n LEU 84 N -2.42 1.14 0.00 -4.42 4.77 0.16 -4.03 117.00 112.20 2dit n LEU 84 Ca -0.09 -0.37 0.05 0.00 -0.03 0.00 0.00 56.01 55.57 2dit n LEU 84 Cb 0.68 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.90 2dit n LEU 84 CO 0.45 0.23 0.64 -0.90 -1.33 0.00 0.00 177.39 176.48 2dit n ASP 85 N -0.88 0.00 0.00 -1.43 5.75 -1.17 -1.97 116.55 116.84 2dit n ASP 85 Ca 0.08 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 2dit n ASP 85 Cb 0.37 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2dit n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dit n GLY 86 N -0.44 -0.67 3.35 6.12 0.00 -1.14 -3.88 105.19 108.53 2dit n GLY 86 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2dit n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dit n ARG 87 N -0.33 -0.41 -4.48 1.61 5.12 -0.83 -4.44 116.66 112.90 2dit n ARG 87 Ca 0.00 -0.09 -0.29 0.00 -1.93 0.00 0.00 57.85 55.55 2dit n ARG 87 Cb 0.00 -1.73 -0.17 0.00 -1.16 0.00 0.00 32.46 29.40 2dit n ARG 87 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2dit s TRP 88 N -2.33 1.99 -0.01 -1.55 0.52 -1.26 0.85 118.94 117.14 2dit s TRP 88 Ca 0.55 -0.93 0.06 0.00 0.02 0.00 0.00 56.10 55.79 2dit s TRP 88 Cb -0.19 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 2dit s TRP 88 CO 0.69 -0.47 -0.19 -0.06 0.02 0.00 0.00 176.95 176.94 2dit s PHE 89 N 0.97 1.69 0.00 -1.98 0.40 0.35 -4.68 117.98 114.73 2dit s PHE 89 Ca -0.07 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2dit s PHE 89 Cb -0.15 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.29 2dit s PHE 89 CO -0.01 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.29 2dit n GLY 90 N 2.62 0.07 0.00 4.36 0.00 -1.26 -1.08 105.19 109.90 2dit n GLY 90 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2dit n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLY 91 N -0.47 2.48 3.88 -0.02 0.00 -1.26 -5.09 105.19 104.72 2dit n GLY 91 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2dit n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dit s ARG 92 N -0.42 2.65 0.58 1.61 0.52 -0.24 -5.05 118.95 118.60 2dit s ARG 92 Ca 0.00 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.72 2dit s ARG 92 Cb 0.00 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 2dit s ARG 92 CO 0.00 -0.09 0.94 -1.14 0.02 0.00 0.00 175.30 175.03 2dit s GLN 93 N -4.11 3.41 0.04 3.54 0.74 -1.26 0.13 119.66 122.16 2dit s GLN 93 Ca 0.46 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 56.31 2dit s GLN 93 Cb -0.05 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2dit s GLN 93 CO 0.28 -0.52 -0.04 0.96 -0.55 0.00 0.00 175.29 175.43 2dit s ILE 94 N -3.03 0.25 0.20 -2.34 -4.36 0.25 -4.70 121.20 107.46 2dit s ILE 94 Ca 0.53 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.59 2dit s ILE 94 Cb -0.11 -0.96 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 2dit s ILE 94 CO 0.50 -0.74 0.03 0.28 0.24 0.00 0.00 174.94 175.24 2dit s THR 95 N -2.71 3.80 0.09 8.37 -1.32 -1.21 -2.89 115.64 119.78 2dit s THR 95 Ca -0.03 -1.49 0.04 0.00 -1.21 0.00 0.00 61.69 59.01 2dit s THR 95 Cb -0.01 -2.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.00 2dit s THR 95 CO -0.05 -0.18 -0.12 0.00 -2.21 0.00 0.00 174.62 172.06 2dit s ALA 96 N -1.88 1.17 -0.02 11.08 0.00 -1.26 -2.90 121.76 127.95 2dit s ALA 96 Ca 0.29 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 2dit s ALA 96 Cb -0.09 -0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.11 2dit s ALA 96 CO 0.20 0.05 0.91 1.14 0.00 0.00 0.00 175.76 178.05 2dit s GLN 97 N -2.40 0.79 0.10 0.00 0.00 -0.96 -4.72 119.66 112.47 2dit s GLN 97 Ca 0.03 -0.28 -0.25 0.00 -0.00 0.00 0.00 55.36 54.86 2dit s GLN 97 Cb -0.06 0.36 -0.07 0.00 0.00 0.00 0.00 33.01 33.25 2dit s GLN 97 CO 0.01 -0.34 0.77 0.00 0.00 0.00 0.00 175.29 175.73 2dit s ALA 98 N -3.06 3.41 0.22 2.60 0.00 -1.26 -0.31 121.76 123.36 2dit s ALA 98 Ca 0.05 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 2dit s ALA 98 Cb -0.01 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 2dit s ALA 98 CO -0.09 0.18 0.48 -0.46 0.00 0.00 0.00 175.76 175.88 2dit s TRP 99 N -0.60 3.46 -0.04 0.00 -0.00 -0.14 -4.87 118.94 116.75 2dit s TRP 99 Ca 0.37 0.66 -0.06 0.00 -0.00 0.00 0.00 56.10 57.08 2dit s TRP 99 Cb -0.22 -2.10 -0.02 0.00 -0.00 0.00 0.00 33.47 31.13 2dit s TRP 99 CO 0.25 0.30 -0.11 -0.25 -0.00 0.00 0.00 176.95 177.14 2dit n ASP 100 N -0.33 0.77 0.00 5.86 9.92 -1.26 -4.69 116.55 126.81 2dit n ASP 100 Ca -0.01 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2dit n ASP 100 Cb 0.53 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dit n GLY 101 N 2.17 0.00 0.00 0.44 0.00 -1.26 -4.97 105.19 101.57 2dit n GLY 101 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2dit n GLY 101 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dit n THR 102 N 0.00 0.00 -2.17 2.61 5.66 -1.26 -5.07 114.28 114.05 2dit n THR 102 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2dit n THR 102 Cb 0.00 -0.52 0.01 0.00 -1.55 0.00 0.00 70.33 68.27 2dit n THR 102 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2dit s THR 103 N -1.57 2.93 -0.42 1.09 -1.32 -1.26 -4.95 115.64 110.14 2dit s THR 103 Ca 0.00 0.63 0.05 0.00 -1.21 0.00 0.00 61.69 61.16 2dit s THR 103 Cb 0.00 -3.29 0.49 0.00 -1.51 0.00 0.00 72.50 68.20 2dit s THR 103 CO 0.00 -0.07 1.60 0.47 -2.21 0.00 0.00 174.62 174.41 2dit n ASP 104 N -1.04 4.85 0.35 8.08 9.92 -1.26 -4.65 116.55 132.79 2dit n ASP 104 Ca 0.10 -3.76 -0.14 0.00 -0.53 0.00 0.00 54.79 50.46 2dit n ASP 104 Cb 0.49 -0.68 -0.07 0.00 -0.64 0.00 0.00 41.12 40.23 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dit h TYR 105 N 1.63 -0.84 0.01 1.24 0.05 -2.03 -3.37 116.97 113.66 2dit h TYR 105 Ca 0.42 -0.02 -0.36 0.00 0.05 0.00 0.00 58.73 58.82 2dit h TYR 105 Cb 1.50 0.28 -0.06 0.00 1.01 0.00 0.00 36.73 39.45 2dit h TYR 105 CO 1.17 -0.52 -2.30 0.00 -1.05 0.00 0.00 178.16 175.46 2dit n GLN 106 N -4.58 0.68 -2.43 4.88 10.64 -1.26 -4.96 117.38 120.35 2dit n GLN 106 Ca -0.11 0.08 -0.32 0.00 -1.83 0.00 0.00 57.00 54.82 2dit n GLN 106 Cb 0.36 -1.57 -0.03 0.00 -0.86 0.00 0.00 30.24 28.14 2dit n GLN 106 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2dit s SER 107 N -5.87 6.57 0.09 2.61 0.15 -1.26 -5.08 113.70 110.91 2dit s SER 107 Ca -0.15 1.49 0.10 0.00 0.70 0.00 0.00 55.95 58.08 2dit s SER 107 Cb 0.07 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2dit s SER 107 CO 0.78 -0.58 -0.26 -0.83 1.20 0.00 0.00 173.24 173.55 2dit s GLY 108 N -3.18 1.47 0.22 9.45 0.00 -1.26 -4.60 107.32 109.42 2dit s GLY 108 Ca 0.57 -1.36 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 2dit s GLY 108 CO 0.33 -1.30 1.29 2.56 0.00 0.00 0.00 173.10 175.97 2dit s PRO 109 N -1.71 4.41 -0.05 2.90 0.04 -1.26 -5.04 135.00 134.30 2dit s PRO 109 Ca 0.12 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.26 2dit s PRO 109 Cb -0.10 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2dit s PRO 109 CO 0.04 -0.20 -0.20 -1.54 0.04 0.00 0.00 177.00 175.14 2dit s SER 110 N 0.15 2.51 0.01 6.66 1.04 -1.26 -5.14 113.70 117.67 2dit s SER 110 Ca 0.55 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.61 2dit s SER 110 Cb -0.36 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.05 2dit s SER 110 CO 0.40 0.19 -0.16 -0.55 0.98 0.00 0.00 173.24 174.09 2dit s SER 111 N -0.04 1.94 0.00 7.02 0.15 -1.26 -5.36 113.70 116.15 2dit s SER 111 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dit s SER 111 Cb -0.12 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2dit s SER 111 CO 0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24