#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dit s SER 2 N 0.00 -0.99 0.13 1.61 0.15 -1.26 -5.05 113.70 108.29 2dit s SER 2 Ca 0.00 0.78 -0.21 0.00 0.70 0.00 0.00 55.95 57.21 2dit s SER 2 Cb 0.00 1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 66.19 2dit s SER 2 CO 0.00 -0.19 1.68 -1.28 1.20 0.00 0.00 173.24 174.65 2dit h SER 3 N 7.94 -0.40 -4.05 5.45 0.87 -2.13 -3.48 113.55 117.74 2dit h SER 3 Ca -0.19 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2dit h SER 3 Cb 1.15 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2dit h SER 3 CO 0.12 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.86 2dit n GLY 4 N -1.28 -2.20 3.63 5.77 0.00 -1.26 -4.84 105.19 105.01 2dit n GLY 4 Ca -0.03 -1.50 -0.66 0.00 0.00 0.00 0.00 46.02 43.84 2dit n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dit n SER 5 N 0.22 1.15 -0.13 1.61 7.64 -1.26 -4.83 113.62 118.01 2dit n SER 5 Ca 0.00 1.06 -0.21 0.00 1.01 0.00 0.00 58.87 60.72 2dit n SER 5 Cb 0.00 -0.90 -0.11 0.00 -1.01 0.00 0.00 64.21 62.19 2dit n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dit n SER 6 N 4.93 1.99 -2.70 6.43 7.64 -1.26 -4.84 113.62 125.81 2dit n SER 6 Ca 0.37 0.01 -0.04 0.00 1.01 0.00 0.00 58.87 60.22 2dit n SER 6 Cb -0.05 -0.53 0.11 0.00 -1.01 0.00 0.00 64.21 62.74 2dit n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dit n GLY 7 N 1.97 1.80 3.63 0.23 0.00 -1.26 -5.11 105.19 106.44 2dit n GLY 7 Ca -0.48 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 2dit n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dit s GLY 8 N -1.59 1.96 0.01 -0.02 0.00 -1.26 -4.95 107.32 101.46 2dit s GLY 8 Ca 0.16 -0.93 0.14 0.00 0.00 0.00 0.00 44.72 44.09 2dit s GLY 8 CO -0.10 0.60 1.46 -1.55 0.00 0.00 0.00 173.10 173.51 2dit n PRO 9 N 4.74 0.01 -4.09 2.90 -0.04 -1.26 -4.61 135.00 132.64 2dit n PRO 9 Ca -0.13 0.26 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 2dit n PRO 9 Cb 0.52 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 2dit n PRO 9 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dit s SER 10 N -3.04 5.02 -0.02 3.54 1.04 -1.26 -5.08 113.70 113.90 2dit s SER 10 Ca 0.07 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 2dit s SER 10 Cb 0.09 -1.86 0.10 0.00 0.10 0.00 0.00 66.02 64.46 2dit s SER 10 CO 0.26 0.09 0.90 0.00 0.98 0.00 0.00 173.24 175.48 2dit s ARG 11 N 0.83 0.79 -0.33 4.02 1.70 -1.26 -5.12 118.95 119.57 2dit s ARG 11 Ca 0.01 -0.27 -0.29 0.00 -0.47 0.00 0.00 55.73 54.72 2dit s ARG 11 Cb -0.14 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 2dit s ARG 11 CO 0.02 -0.34 1.33 -1.64 -1.08 0.00 0.00 175.30 173.60 2dit s MET 12 N -2.97 3.82 -0.71 3.89 -1.94 -1.26 -4.96 119.30 115.18 2dit s MET 12 Ca 0.05 1.17 0.05 0.00 -1.71 0.00 0.00 55.69 55.24 2dit s MET 12 Cb -0.01 -3.92 0.18 0.00 2.01 0.00 0.00 34.83 33.09 2dit s MET 12 CO -0.08 -1.24 0.54 2.89 -0.01 0.00 0.00 175.02 177.12 2dit n ARG 13 N 7.52 1.97 -3.57 2.03 1.85 -1.26 -5.04 116.66 120.16 2dit n ARG 13 Ca 0.15 -4.52 -0.13 0.00 -1.00 0.00 0.00 57.85 52.35 2dit n ARG 13 Cb 0.47 -2.29 -0.06 0.00 -1.05 0.00 0.00 32.46 29.53 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2dit s HIS 14 N -1.62 -0.51 -0.21 2.89 -3.43 -1.26 -5.15 115.29 106.00 2dit s HIS 14 Ca 0.27 0.97 0.02 0.00 -0.80 0.00 0.00 55.06 55.51 2dit s HIS 14 Cb -0.02 0.41 0.04 0.00 -1.43 0.00 0.00 32.58 31.58 2dit s HIS 14 CO -0.15 -0.42 -0.14 -1.21 -2.00 0.00 0.00 174.74 170.82 2dit s GLU 15 N -0.86 2.46 -0.82 -0.38 0.41 -1.26 -5.06 118.70 113.19 2dit s GLU 15 Ca -0.04 -0.98 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 2dit s GLU 15 Cb -0.01 -2.60 0.20 0.00 -1.78 0.00 0.00 34.13 29.94 2dit s GLU 15 CO 0.04 -0.38 0.67 1.03 -0.49 0.00 0.00 175.26 176.13 2dit s ARG 16 N 1.27 2.98 -0.05 1.61 1.81 -1.26 -4.97 118.95 120.35 2dit s ARG 16 Ca -0.01 -3.30 0.06 0.00 -1.72 0.00 0.00 55.73 50.77 2dit s ARG 16 Cb -0.16 -3.77 -0.01 0.00 -0.45 0.00 0.00 34.95 30.56 2dit s ARG 16 CO -0.09 -1.27 -0.24 0.08 -0.68 0.00 0.00 175.30 173.10 2dit s VAL 17 N -1.38 2.15 -0.01 3.52 1.01 -1.26 0.18 120.40 124.62 2dit s VAL 17 Ca 0.26 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2dit s VAL 17 Cb -0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2dit s VAL 17 CO -0.14 0.57 -0.09 0.68 0.00 0.00 0.00 175.10 176.12 2dit s VAL 18 N -0.34 3.47 0.06 2.92 -7.23 -0.24 -0.93 120.40 118.11 2dit s VAL 18 Ca 0.02 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 2dit s VAL 18 Cb -0.12 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2dit s VAL 18 CO 0.02 0.44 0.08 -0.63 -0.31 0.00 0.00 175.10 174.70 2dit s ILE 19 N -0.93 4.61 -0.03 -0.62 -1.09 0.34 -1.56 121.20 121.92 2dit s ILE 19 Ca 0.15 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 2dit s ILE 19 Cb -0.11 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2dit s ILE 19 CO 0.05 0.18 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.21 2dit s ILE 20 N -1.34 0.95 0.19 2.92 -1.09 -1.09 -2.01 121.20 119.72 2dit s ILE 20 Ca 0.28 -0.46 0.11 0.00 -2.23 0.00 0.00 60.65 58.35 2dit s ILE 20 Cb -0.12 -0.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 2dit s ILE 20 CO 0.20 0.29 -0.24 -0.54 -1.23 0.00 0.00 174.94 173.42 2dit s LYS 21 N 0.10 1.50 -1.17 2.79 -0.14 -1.03 -2.83 119.74 118.96 2dit s LYS 21 Ca -0.02 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.06 2dit s LYS 21 Cb -0.09 -1.80 -0.01 0.00 -1.68 0.00 0.00 37.83 34.25 2dit s LYS 21 CO 0.01 0.39 0.98 -1.71 -0.76 0.00 0.00 175.35 174.26 2dit n ASN 22 N 0.26 -2.89 0.00 2.83 5.15 -1.00 -2.41 115.26 117.21 2dit n ASN 22 Ca -0.13 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 2dit n ASN 22 Cb 0.56 -5.14 0.00 0.00 -0.53 0.00 0.00 39.78 34.67 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 -3.96 2.07 -3.85 1.20 0.00 -1.26 -4.02 117.12 107.30 2dit n MET 23 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.36 2dit n MET 23 Cb 0.66 -0.87 0.01 0.00 0.00 0.00 0.00 33.22 33.02 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 -1.58 0.16 -0.09 3.17 -0.12 -1.26 -4.40 117.98 113.86 2dit s PHE 24 Ca 0.00 -0.75 -0.08 0.00 -0.05 0.00 0.00 56.93 56.04 2dit s PHE 24 Cb 0.00 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.13 2dit s PHE 24 CO 0.00 -1.46 0.24 -1.58 -0.05 0.00 0.00 175.22 172.37 2dit s HIS 25 N -2.70 -0.28 -2.00 3.49 2.46 -1.26 -2.17 115.29 112.83 2dit s HIS 25 Ca 0.16 0.67 0.10 0.00 0.47 0.00 0.00 55.06 56.47 2dit s HIS 25 Cb -0.05 0.09 0.62 0.00 -0.13 0.00 0.00 32.58 33.11 2dit s HIS 25 CO 0.11 -0.14 1.06 -0.35 -2.47 0.00 0.00 174.74 172.95 2dit n PRO 26 N 3.10 0.49 -0.08 2.88 -0.04 -1.26 -2.27 135.00 137.81 2dit n PRO 26 Ca -0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 2dit n PRO 26 Cb 0.58 -1.33 -0.16 0.00 -0.04 0.00 0.00 33.50 32.55 2dit n PRO 26 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2dit n MET 27 N -0.83 0.68 0.01 0.54 1.56 -1.26 -4.19 117.12 113.62 2dit n MET 27 Ca 0.08 0.06 -0.08 0.00 -0.27 0.00 0.00 57.70 57.49 2dit n MET 27 Cb 0.04 -1.58 0.08 0.00 2.15 0.00 0.00 33.22 33.90 2dit n MET 27 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2dit h ASP 28 N 0.00 0.57 0.44 6.12 5.19 -1.83 -2.90 116.42 124.01 2dit h ASP 28 Ca -0.48 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 55.60 2dit h ASP 28 Cb 2.19 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 41.53 2dit h ASP 28 CO 0.04 0.98 -0.19 -0.26 -3.12 0.00 0.00 179.24 176.68 2dit h PHE 29 N 0.41 0.00 0.00 4.55 0.04 -1.69 -1.81 116.94 118.44 2dit h PHE 29 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2dit h PHE 29 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2dit h PHE 29 CO 0.04 0.19 -0.00 0.93 -0.60 0.00 0.00 178.31 178.87 2dit h GLU 30 N 0.00 0.00 0.02 1.51 5.08 -1.67 -3.01 114.58 116.50 2dit h GLU 30 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2dit h GLU 30 Cb 0.46 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2dit h GLU 30 CO 0.02 0.00 -2.26 -3.47 -1.00 0.00 0.00 179.01 172.31 2dit n ASP 31 N -3.10 1.18 -3.63 1.42 2.03 -0.74 -5.01 116.55 108.70 2dit n ASP 31 Ca -0.00 0.04 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 2dit n ASP 31 Cb 0.27 0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 40.64 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 -6.20 -0.63 0.15 1.67 1.01 -0.87 -5.06 116.67 106.76 2dit s ASP 32 Ca -0.20 1.20 -0.09 0.00 0.71 0.00 0.00 52.55 54.17 2dit s ASP 32 Cb 0.07 1.22 -0.00 0.00 1.01 0.00 0.00 42.92 45.22 2dit s ASP 32 CO 0.74 -0.21 1.49 1.55 0.21 0.00 0.00 175.17 178.95 2dit h PRO 33 N 4.80 0.88 -0.84 8.23 0.13 -1.85 -3.26 132.00 140.10 2dit h PRO 33 Ca -0.29 -0.47 0.19 0.00 -0.87 0.00 0.00 66.00 64.56 2dit h PRO 33 Cb 1.17 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2dit h PRO 33 CO 0.08 1.11 -0.13 1.28 -0.23 0.00 0.00 178.00 180.11 2dit n LEU 34 N -4.05 -0.23 -0.25 1.56 7.99 -1.26 0.16 117.00 120.92 2dit n LEU 34 Ca -0.02 1.43 -0.08 0.00 -0.01 0.00 0.00 56.01 57.33 2dit n LEU 34 Cb 0.55 -0.46 -0.04 0.00 -0.11 0.00 0.00 43.42 43.36 2dit n LEU 34 CO 0.48 -1.40 0.56 0.58 -1.51 0.00 0.00 177.39 176.10 2dit h VAL 35 N 0.00 0.06 -0.34 4.08 2.07 -1.89 0.38 116.25 120.61 2dit h VAL 35 Ca 0.44 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.88 2dit h VAL 35 Cb 0.75 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2dit h VAL 35 CO -0.84 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 176.91 2dit h LEU 36 N -0.18 0.55 0.68 2.57 5.85 -0.49 -1.72 115.31 122.56 2dit h LEU 36 Ca 0.19 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dit h LEU 36 Cb 0.55 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.44 2dit h LEU 36 CO -0.75 0.68 -0.33 0.78 -0.34 0.00 0.00 178.44 178.49 2dit h ASN 37 N 0.53 -0.77 -0.82 1.25 2.35 0.67 0.24 115.58 119.01 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 -0.54 0.47 1.05 -1.65 0.00 0.00 177.43 176.79 2dit h GLU 38 N -0.94 0.77 0.45 0.81 4.11 -0.44 -1.11 114.58 118.23 2dit h GLU 38 Ca -0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2dit h GLU 38 Cb 0.70 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dit h GLU 38 CO 0.15 0.51 -0.22 0.82 0.07 0.00 0.00 179.01 180.34 2dit h ILE 39 N 0.79 0.55 0.29 -1.06 2.04 -1.24 0.69 117.51 119.57 2dit h ILE 39 Ca 0.40 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.14 2dit h ILE 39 Cb 0.36 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2dit h ILE 39 CO -0.25 0.02 -0.51 -0.09 0.00 0.00 0.00 178.15 177.33 2dit h ARG 40 N -0.68 -0.83 -0.80 2.37 2.43 -0.14 -1.33 114.38 115.40 2dit h ARG 40 Ca -0.06 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2dit h ARG 40 Cb 0.50 0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 2dit h ARG 40 CO 0.10 -0.55 0.52 1.05 -1.51 0.00 0.00 179.97 179.58 2dit h GLU 41 N -0.86 0.62 -0.61 0.20 4.11 -1.23 -1.09 114.58 115.71 2dit h GLU 41 Ca -0.03 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.38 2dit h GLU 41 Cb 0.81 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2dit h GLU 41 CO -0.19 0.41 0.39 -0.44 0.07 0.00 0.00 179.01 179.25 2dit h ASP 42 N 0.63 0.65 0.40 3.06 5.19 0.12 0.13 116.42 126.60 2dit h ASP 42 Ca 0.38 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2dit h ASP 42 Cb 0.61 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2dit h ASP 42 CO -0.15 0.46 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.05 2dit h LEU 43 N 0.78 0.00 0.00 1.55 3.38 -0.16 0.29 115.31 121.15 2dit h LEU 43 Ca 0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 2dit h LEU 43 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2dit h LEU 43 CO -0.08 0.31 -0.86 -0.09 0.09 0.00 0.00 178.44 177.81 2dit h ARG 44 N 0.00 0.00 0.00 1.13 2.43 -0.81 -2.55 114.38 114.58 2dit h ARG 44 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2dit h ARG 44 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2dit h ARG 44 CO 0.04 0.81 -1.15 -0.39 -1.51 0.00 0.00 179.97 177.77 2dit h VAL 45 N 0.00 0.18 0.18 0.20 -1.51 -0.36 -3.15 116.25 111.79 2dit h VAL 45 Ca -0.02 -1.37 -0.28 0.00 -1.23 0.00 0.00 66.70 63.81 2dit h VAL 45 Cb 1.65 1.70 0.02 0.00 -2.13 0.00 0.00 31.29 32.52 2dit h VAL 45 CO 0.11 0.10 -1.30 1.05 -1.23 0.00 0.00 177.57 176.30 2dit h GLU 46 N 0.00 0.37 0.00 5.19 4.11 -0.50 -3.19 114.58 120.57 2dit h GLU 46 Ca -0.06 -0.64 0.00 0.00 0.07 0.00 0.00 59.36 58.73 2dit h GLU 46 Cb 1.22 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2dit h GLU 46 CO 0.02 1.31 0.00 0.00 0.07 0.00 0.00 179.01 180.40 2dit h SER 48 N 0.00 0.00 -0.92 0.00 0.87 -1.63 -3.31 113.55 108.56 2dit h SER 48 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 2dit h SER 48 Cb 0.66 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.48 2dit h SER 48 CO 0.00 0.78 0.30 0.11 -0.53 0.00 0.00 176.83 177.49 2dit h LYS 49 N 0.00 0.20 0.03 2.24 1.79 -1.52 0.49 116.57 119.81 2dit h LYS 49 Ca -0.04 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.20 2dit h LYS 49 Cb 1.63 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.22 2dit h LYS 49 CO 0.09 0.13 -1.01 0.74 -1.08 0.00 0.00 179.45 178.33 2dit h PHE 50 N 0.21 0.20 0.00 -1.35 -1.00 -1.77 -3.49 116.94 109.74 2dit h PHE 50 Ca 0.60 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2dit h PHE 50 Cb 1.28 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.82 2dit h PHE 50 CO -0.22 1.04 0.00 0.41 -1.61 0.00 0.00 178.31 177.93 2dit n GLY 51 N 1.22 0.30 3.40 -1.45 0.00 0.17 -5.04 105.19 103.79 2dit n GLY 51 Ca -0.03 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2dit n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dit s GLN 52 N 1.79 1.87 -0.47 1.61 -0.21 -1.25 -4.57 119.66 118.42 2dit s GLN 52 Ca 0.00 -2.12 0.03 0.00 0.02 0.00 0.00 55.36 53.28 2dit s GLN 52 Cb 0.00 -0.12 0.12 0.00 1.00 0.00 0.00 33.01 34.02 2dit s GLN 52 CO 0.00 -0.59 0.22 0.42 -2.12 0.00 0.00 175.29 173.22 2dit s ILE 53 N -3.31 2.69 0.37 1.08 -1.09 -1.26 -4.48 121.20 115.20 2dit s ILE 53 Ca 0.32 -2.91 0.11 0.00 -2.23 0.00 0.00 60.65 55.93 2dit s ILE 53 Cb 0.02 -2.88 0.33 0.00 -1.58 0.00 0.00 42.46 38.35 2dit s ILE 53 CO 0.22 -0.74 1.88 0.03 -1.23 0.00 0.00 174.94 175.09 2dit h ARG 54 N 6.99 0.61 -1.51 2.79 2.47 -1.85 -3.44 114.38 120.44 2dit h ARG 54 Ca -0.06 -0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.71 2dit h ARG 54 Cb 0.95 -0.14 -0.24 0.00 -1.65 0.00 0.00 29.97 28.89 2dit h ARG 54 CO 0.64 0.40 0.58 0.21 0.56 0.00 0.00 179.97 182.36 2dit s LYS 55 N -5.61 0.53 -0.02 0.04 2.20 -1.23 -4.98 119.74 110.65 2dit s LYS 55 Ca -0.09 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2dit s LYS 55 Cb 0.22 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2dit s LYS 55 CO 0.78 -0.15 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.41 2dit s LEU 56 N -0.91 1.61 -0.13 5.43 2.96 -1.26 -0.26 118.68 126.13 2dit s LEU 56 Ca -0.00 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2dit s LEU 56 Cb -0.01 -0.33 0.06 0.00 0.50 0.00 0.00 46.19 46.40 2dit s LEU 56 CO -0.01 -0.01 0.12 -0.76 -1.32 0.00 0.00 176.35 174.38 2dit s LEU 57 N 0.45 0.13 -0.31 -0.68 1.43 -0.27 -5.02 118.68 114.42 2dit s LEU 57 Ca -0.05 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2dit s LEU 57 Cb -0.09 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 2dit s LEU 57 CO -0.00 -0.30 0.30 -0.22 0.23 0.00 0.00 176.35 176.36 2dit s LEU 58 N 2.21 4.27 -0.97 1.79 0.20 -1.26 -0.16 118.68 124.75 2dit s LEU 58 Ca 0.04 -0.10 -0.23 0.00 0.69 0.00 0.00 54.13 54.53 2dit s LEU 58 Cb -0.14 -2.27 0.06 0.00 -0.43 0.00 0.00 46.19 43.41 2dit s LEU 58 CO -0.07 -0.22 1.37 -0.36 -0.29 0.00 0.00 176.35 176.78 2dit s PHE 59 N 1.91 2.60 -0.04 5.38 0.08 -0.46 -4.84 117.98 122.61 2dit s PHE 59 Ca 0.10 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.30 2dit s PHE 59 Cb -0.16 -4.62 0.04 0.00 -0.57 0.00 0.00 43.02 37.71 2dit s PHE 59 CO 0.11 -1.87 1.61 -0.40 -0.10 0.00 0.00 175.22 174.56 2dit n ASP 60 N 8.54 4.48 0.00 1.36 5.75 -1.26 -3.48 116.55 131.93 2dit n ASP 60 Ca 0.28 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2dit n ASP 60 Cb 0.50 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2dit n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dit n ARG 61 N 0.91 0.00 -2.05 0.11 5.12 -1.26 -4.73 116.66 114.76 2dit n ARG 61 Ca 0.05 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 2dit n ARG 61 Cb 0.55 -0.76 -0.03 0.00 -1.16 0.00 0.00 32.46 31.05 2dit n ARG 61 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2dit s HIS 62 N -1.82 2.34 -2.00 -1.55 2.46 -1.23 -4.83 115.29 108.66 2dit s HIS 62 Ca 0.00 0.41 0.13 0.00 0.47 0.00 0.00 55.06 56.07 2dit s HIS 62 Cb 0.00 -3.86 0.79 0.00 -0.13 0.00 0.00 32.58 29.38 2dit s HIS 62 CO 0.00 -3.45 1.21 -0.35 -2.47 0.00 0.00 174.74 169.68 2dit n PRO 63 N 6.26 0.49 -0.50 2.88 -0.04 -1.26 -2.17 135.00 140.66 2dit n PRO 63 Ca 0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.67 2dit n PRO 63 Cb 0.42 -1.42 0.23 0.00 -0.04 0.00 0.00 33.50 32.69 2dit n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dit n ASP 64 N -0.92 3.33 -2.95 3.54 2.03 -1.26 -4.80 116.55 115.52 2dit n ASP 64 Ca 0.10 -3.23 -0.01 0.00 0.52 0.00 0.00 54.79 52.17 2dit n ASP 64 Cb 0.05 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 39.88 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dit n GLY 65 N -0.79 -1.84 3.03 0.27 0.00 -0.92 -2.38 105.19 102.55 2dit n GLY 65 Ca 0.24 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.65 1.28 0.11 1.61 1.01 -1.25 -2.85 120.40 119.65 2dit s VAL 66 Ca -0.07 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2dit s VAL 66 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2dit s VAL 66 CO 0.30 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.64 2dit s ALA 67 N 0.89 1.47 -0.26 5.51 0.00 -1.13 -1.36 121.76 126.88 2dit s ALA 67 Ca -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2dit s ALA 67 Cb -0.15 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 22.92 2dit s ALA 67 CO 0.01 0.16 -0.09 0.45 0.00 0.00 0.00 175.76 176.28 2dit s SER 68 N -2.19 4.30 -0.40 0.00 0.15 0.77 -2.67 113.70 113.66 2dit s SER 68 Ca 0.06 -1.36 -0.08 0.00 0.70 0.00 0.00 55.95 55.27 2dit s SER 68 Cb -0.07 -1.45 0.07 0.00 -1.71 0.00 0.00 66.02 62.85 2dit s SER 68 CO 0.03 -0.21 0.22 -0.69 1.20 0.00 0.00 173.24 173.80 2dit s VAL 69 N 1.17 4.13 0.46 4.45 1.01 -0.60 -1.11 120.40 129.91 2dit s VAL 69 Ca -0.08 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 2dit s VAL 69 Cb -0.20 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2dit s VAL 69 CO -0.05 -0.43 0.98 -0.55 0.00 0.00 0.00 175.10 175.05 2dit s SER 70 N 1.91 6.69 0.19 3.32 0.15 0.65 -1.07 113.70 125.54 2dit s SER 70 Ca 0.02 1.74 0.05 0.00 0.70 0.00 0.00 55.95 58.46 2dit s SER 70 Cb -0.22 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 2dit s SER 70 CO 0.02 -0.54 -0.07 -0.36 1.20 0.00 0.00 173.24 173.50 2dit s PHE 71 N -2.21 1.45 -0.23 3.44 0.40 0.48 -2.96 117.98 118.35 2dit s PHE 71 Ca 0.63 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.98 2dit s PHE 71 Cb -0.11 -0.78 -0.17 0.00 0.51 0.00 0.00 43.02 42.47 2dit s PHE 71 CO 0.19 0.07 0.01 -2.13 0.70 0.00 0.00 175.22 174.06 2dit n ARG 72 N -0.31 0.58 -3.83 0.44 3.00 -1.26 -4.22 116.66 111.05 2dit n ARG 72 Ca -0.08 0.45 -0.36 0.00 -0.00 0.00 0.00 57.85 57.86 2dit n ARG 72 Cb 0.62 -1.65 -0.07 0.00 0.00 0.00 0.00 32.46 31.36 2dit n ARG 72 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2dit s ASP 73 N -7.09 6.33 0.24 6.15 1.47 -1.26 -4.93 116.67 117.58 2dit s ASP 73 Ca -0.32 0.39 0.23 0.00 1.18 0.00 0.00 52.55 54.02 2dit s ASP 73 Cb 0.09 -2.08 0.95 0.00 -0.34 0.00 0.00 42.92 41.55 2dit s ASP 73 CO 0.56 0.33 1.69 -0.81 0.68 0.00 0.00 175.17 177.62 2dit n PRO 74 N 2.52 0.18 0.10 2.11 -0.04 -1.26 -2.78 135.00 135.83 2dit n PRO 74 Ca -0.19 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 2dit n PRO 74 Cb 0.54 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 2dit n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dit h GLU 75 N 0.00 0.59 0.11 0.54 5.08 -2.00 -3.09 114.58 115.81 2dit h GLU 75 Ca 0.00 -0.81 -0.01 0.00 -1.00 0.00 0.00 59.36 57.55 2dit h GLU 75 Cb 0.35 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2dit h GLU 75 CO 0.00 1.37 -0.05 0.93 -1.00 0.00 0.00 179.01 180.25 2dit h GLU 76 N 0.25 -0.14 -0.04 2.33 4.39 -1.93 -3.15 114.58 116.29 2dit h GLU 76 Ca -0.19 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.53 2dit h GLU 76 Cb 1.94 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.59 2dit h GLU 76 CO 0.24 0.34 -0.23 0.00 -1.16 0.00 0.00 179.01 178.21 2dit h ALA 77 N -0.06 -0.64 -1.58 3.43 0.00 -1.67 0.98 119.26 119.71 2dit h ALA 77 Ca -0.02 -0.03 0.46 0.00 0.00 0.00 0.00 54.91 55.33 2dit h ALA 77 Cb 0.56 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2dit h ALA 77 CO 0.03 -0.72 1.13 0.22 0.00 0.00 0.00 179.25 179.90 2dit h ASP 78 N -0.25 0.03 0.67 0.00 3.58 -1.68 1.48 116.42 120.24 2dit h ASP 78 Ca 0.01 0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 2dit h ASP 78 Cb 0.29 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 2dit h ASP 78 CO -0.17 -0.01 -1.46 0.22 -2.88 0.00 0.00 179.24 174.94 2dit h TYR 79 N 0.02 0.00 0.00 0.28 3.20 -0.85 -3.30 116.97 116.32 2dit h TYR 79 Ca 0.76 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.63 2dit h TYR 79 Cb 3.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 41.27 2dit h TYR 79 CO -0.00 0.97 0.00 0.00 -1.64 0.00 0.00 178.16 177.49 2dit n ILE 81 N -1.66 1.15 0.02 0.00 -6.64 -0.24 -2.62 119.36 109.37 2dit n ILE 81 Ca 0.05 -0.69 -0.01 0.00 -1.77 0.00 0.00 62.75 60.34 2dit n ILE 81 Cb 0.28 -0.70 -0.10 0.00 -1.44 0.00 0.00 39.64 37.68 2dit n ILE 81 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2dit n GLN 82 N -2.86 0.63 0.03 6.28 10.64 -1.12 -2.97 117.38 127.99 2dit n GLN 82 Ca -0.10 0.19 -0.03 0.00 -1.83 0.00 0.00 57.00 55.24 2dit n GLN 82 Cb 0.83 -1.77 -0.09 0.00 -0.86 0.00 0.00 30.24 28.34 2dit n GLN 82 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2dit h THR 83 N 0.00 0.68 -0.01 -0.39 2.02 -1.58 -3.33 112.91 110.31 2dit h THR 83 Ca -0.19 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2dit h THR 83 Cb 1.63 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2dit h THR 83 CO 0.04 0.39 -0.44 0.18 0.37 0.00 0.00 175.52 176.06 2dit n LEU 84 N -2.98 1.05 0.00 2.58 4.77 -1.08 -3.97 117.00 117.37 2dit n LEU 84 Ca -0.10 -0.30 0.05 0.00 -0.03 0.00 0.00 56.01 55.62 2dit n LEU 84 Cb 0.90 -0.12 0.24 0.00 -2.33 0.00 0.00 43.42 42.11 2dit n LEU 84 CO 0.44 0.21 0.64 -0.90 -1.33 0.00 0.00 177.39 176.44 2dit n ASP 85 N -0.86 0.00 -0.00 -1.43 5.75 -1.16 -2.08 116.55 116.77 2dit n ASP 85 Ca 0.09 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2dit n ASP 85 Cb 0.36 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.43 0.38 3.57 6.12 0.00 -1.12 -4.02 105.19 109.70 2dit n GLY 86 Ca 0.04 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2dit n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dit s ARG 87 N -0.57 -0.08 -0.12 1.61 1.81 -0.88 -4.58 118.95 116.14 2dit s ARG 87 Ca 0.00 1.14 -0.00 0.00 -1.72 0.00 0.00 55.73 55.15 2dit s ARG 87 Cb 0.00 -1.63 0.02 0.00 -0.45 0.00 0.00 34.95 32.90 2dit s ARG 87 CO 0.00 -3.25 -0.09 -1.58 -0.68 0.00 0.00 175.30 169.70 2dit s TRP 88 N -2.55 1.68 -0.03 -0.53 0.52 -1.26 0.11 118.94 116.89 2dit s TRP 88 Ca 0.68 -0.88 0.06 0.00 0.02 0.00 0.00 56.10 55.98 2dit s TRP 88 Cb -0.24 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2dit s TRP 88 CO 0.62 -0.56 -0.22 -0.06 0.02 0.00 0.00 176.95 176.75 2dit s PHE 89 N 1.65 1.99 0.00 -1.98 0.40 0.32 -4.66 117.98 115.70 2dit s PHE 89 Ca 0.05 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2dit s PHE 89 Cb -0.13 -1.29 0.00 0.00 0.51 0.00 0.00 43.02 42.11 2dit s PHE 89 CO -0.09 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.17 2dit n GLY 90 N 2.66 0.15 0.00 4.36 0.00 -1.26 -1.23 105.19 109.87 2dit n GLY 90 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.10 1.93 3.75 -0.02 0.00 -1.26 -5.09 105.19 103.40 2dit n GLY 91 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2dit n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dit s ARG 92 N -0.38 2.57 0.70 1.61 1.70 -0.37 -5.06 118.95 119.72 2dit s ARG 92 Ca 0.00 -1.32 -0.11 0.00 -0.47 0.00 0.00 55.73 53.82 2dit s ARG 92 Cb 0.00 -2.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 2dit s ARG 92 CO 0.00 0.27 1.07 -1.14 -1.08 0.00 0.00 175.30 174.42 2dit s GLN 93 N -3.82 2.93 0.02 3.89 0.74 -1.26 0.12 119.66 122.28 2dit s GLN 93 Ca 0.35 0.71 -0.01 0.00 0.05 0.00 0.00 55.36 56.46 2dit s GLN 93 Cb -0.06 -2.01 -0.02 0.00 1.10 0.00 0.00 33.01 32.03 2dit s GLN 93 CO 0.23 -1.04 -0.00 0.96 -0.55 0.00 0.00 175.29 174.88 2dit s ILE 94 N -3.18 0.11 0.23 -2.34 -4.36 0.30 -4.63 121.20 107.34 2dit s ILE 94 Ca 0.58 -0.89 0.06 0.00 -0.26 0.00 0.00 60.65 60.13 2dit s ILE 94 Cb -0.12 -0.31 -0.03 0.00 1.25 0.00 0.00 42.46 43.24 2dit s ILE 94 CO 0.54 -0.49 0.25 0.28 0.24 0.00 0.00 174.94 175.75 2dit s THR 95 N -1.50 4.76 0.07 8.37 -1.32 -1.01 -2.78 115.64 122.23 2dit s THR 95 Ca -0.15 -1.20 0.02 0.00 -1.21 0.00 0.00 61.69 59.15 2dit s THR 95 Cb -0.09 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.31 2dit s THR 95 CO -0.01 -0.30 -0.08 0.00 -2.21 0.00 0.00 174.62 172.02 2dit s ALA 96 N -2.02 0.80 0.07 11.08 0.00 -1.26 -2.45 121.76 127.97 2dit s ALA 96 Ca 0.33 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 2dit s ALA 96 Cb -0.09 0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.19 2dit s ALA 96 CO 0.26 -0.08 0.83 1.14 0.00 0.00 0.00 175.76 177.91 2dit s GLN 97 N -2.42 1.02 -0.02 0.00 0.00 -0.85 -4.72 119.66 112.66 2dit s GLN 97 Ca -0.01 -0.42 -0.22 0.00 -0.00 0.00 0.00 55.36 54.71 2dit s GLN 97 Cb -0.05 0.44 -0.05 0.00 0.00 0.00 0.00 33.01 33.36 2dit s GLN 97 CO -0.01 -0.45 0.65 0.00 0.00 0.00 0.00 175.29 175.48 2dit s ALA 98 N -3.32 3.42 0.49 2.60 0.00 -1.26 -0.51 121.76 123.19 2dit s ALA 98 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2dit s ALA 98 Cb -0.01 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2dit s ALA 98 CO -0.08 0.06 0.72 -0.46 0.00 0.00 0.00 175.76 176.00 2dit s TRP 99 N 0.19 3.11 0.00 0.00 -0.00 -0.11 -4.89 118.94 117.24 2dit s TRP 99 Ca 0.34 0.19 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 2dit s TRP 99 Cb -0.18 -2.49 0.00 0.00 -0.00 0.00 0.00 33.47 30.80 2dit s TRP 99 CO 0.18 -0.56 0.00 -0.25 -0.00 0.00 0.00 176.95 176.32 2dit n ASP 100 N -2.21 0.00 0.00 5.86 8.00 -1.26 -4.72 116.55 122.22 2dit n ASP 100 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2dit n ASP 100 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dit n GLY 101 N 3.37 -0.82 0.00 0.44 0.00 -1.26 -5.01 105.19 101.90 2dit n GLY 101 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.66 2.61 5.66 -1.26 -5.09 114.28 114.54 2dit n THR 102 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 2dit n THR 102 Cb 0.00 -0.17 0.04 0.00 -1.55 0.00 0.00 70.33 68.65 2dit n THR 102 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2dit n THR 103 N -1.56 3.49 -1.19 1.09 5.66 -1.26 -4.91 114.28 115.60 2dit n THR 103 Ca 0.00 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.44 2dit n THR 103 Cb 0.14 -1.33 0.24 0.00 -1.55 0.00 0.00 70.33 67.83 2dit n THR 103 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2dit n ASP 104 N -0.59 3.79 0.00 1.09 5.75 -1.26 -4.61 116.55 120.72 2dit n ASP 104 Ca 0.12 -3.42 0.00 0.00 -0.01 0.00 0.00 54.79 51.48 2dit n ASP 104 Cb 0.45 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2dit n ASP 104 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2dit n TYR 105 N -0.68 0.00 -0.10 2.11 4.01 -1.26 -4.13 117.16 117.11 2dit n TYR 105 Ca 0.39 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.99 2dit n TYR 105 Cb 1.25 -0.50 -0.14 0.00 -0.31 0.00 0.00 39.34 39.64 2dit n TYR 105 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dit n GLN 106 N -2.43 0.67 -0.92 -0.72 -0.00 -1.26 -5.00 117.38 107.73 2dit n GLN 106 Ca 0.00 0.09 -0.35 0.00 -0.00 0.00 0.00 57.00 56.75 2dit n GLN 106 Cb 0.00 -1.55 0.08 0.00 -0.00 0.00 0.00 30.24 28.76 2dit n GLN 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dit n SER 107 N -3.03 -4.23 -3.23 2.61 2.88 -1.26 -4.99 113.62 102.36 2dit n SER 107 Ca -0.37 0.26 -0.18 0.00 -1.33 0.00 0.00 58.87 57.24 2dit n SER 107 Cb 1.07 -0.96 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 2dit n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dit s GLY 108 N -1.45 0.21 0.20 0.46 0.00 -1.26 -4.91 107.32 100.57 2dit s GLY 108 Ca 0.48 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 2dit s GLY 108 CO 0.76 2.69 1.30 2.56 0.00 0.00 0.00 173.10 180.40 2dit s PRO 109 N 0.72 4.40 -0.73 2.90 0.04 -1.26 -5.00 135.00 136.07 2dit s PRO 109 Ca 0.27 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 2dit s PRO 109 Cb -0.04 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.49 2dit s PRO 109 CO -0.10 -0.23 0.56 -1.54 0.04 0.00 0.00 177.00 175.73 2dit s SER 110 N 0.28 5.39 0.17 6.66 1.04 -1.26 -5.04 113.70 120.94 2dit s SER 110 Ca 0.56 -3.33 -0.07 0.00 0.48 0.00 0.00 55.95 53.58 2dit s SER 110 Cb -0.36 -1.83 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 2dit s SER 110 CO 0.39 -0.25 0.26 -0.55 0.98 0.00 0.00 173.24 174.07 2dit s SER 111 N 0.00 0.07 0.00 7.02 0.15 -1.26 -5.39 113.70 114.30 2dit s SER 111 Ca 0.22 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2dit s SER 111 Cb -0.14 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2dit s SER 111 CO -0.08 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.07