#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 -1.03 0.21 1.61 0.15 -1.26 -5.17 113.70 108.21 2dit s SER 2 Ca 0.00 1.49 0.08 0.00 0.70 0.00 0.00 55.95 58.22 2dit s SER 2 Cb 0.00 1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 66.20 2dit s SER 2 CO 0.00 -0.22 -0.16 -0.55 1.20 0.00 0.00 173.24 173.52 2dit s SER 3 N 2.41 2.73 -0.06 5.45 0.15 -1.26 -5.16 113.70 117.97 2dit s SER 3 Ca -0.07 -1.01 -0.04 0.00 0.70 0.00 0.00 55.95 55.53 2dit s SER 3 Cb -0.09 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 2dit s SER 3 CO -0.19 -0.13 0.14 -0.83 1.20 0.00 0.00 173.24 173.43 2dit s GLY 4 N -3.29 -0.08 -0.34 9.45 0.00 -1.26 -5.10 107.32 106.70 2dit s GLY 4 Ca 0.23 0.49 -0.41 0.00 0.00 0.00 0.00 44.72 45.03 2dit s GLY 4 CO 0.08 0.56 1.80 1.44 0.00 0.00 0.00 173.10 176.99 2dit n SER 5 N 3.41 2.07 -3.75 1.64 7.64 -1.26 -4.93 113.62 118.45 2dit n SER 5 Ca -0.17 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 60.57 2dit n SER 5 Cb 0.57 -1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 2dit n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dit s SER 6 N 4.08 -0.34 -0.29 6.43 1.04 -1.26 -5.14 113.70 118.22 2dit s SER 6 Ca 1.02 0.60 0.04 0.00 0.48 0.00 0.00 55.95 58.09 2dit s SER 6 Cb -1.14 0.65 0.19 0.00 0.10 0.00 0.00 66.02 65.82 2dit s SER 6 CO 0.67 -0.19 0.56 -0.83 0.98 0.00 0.00 173.24 174.42 2dit s GLY 7 N -0.12 -1.10 0.00 7.32 0.00 -1.26 -5.14 107.32 107.01 2dit s GLY 7 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.75 2dit s GLY 7 CO 0.01 3.52 0.00 0.61 0.00 0.00 0.00 173.10 177.24 2dit n GLY 8 N 5.41 -0.49 3.63 0.20 0.00 -1.26 -5.10 105.19 107.58 2dit n GLY 8 Ca 0.03 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2dit n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dit s PRO 9 N -2.00 3.76 -0.04 1.61 0.04 -1.26 -4.99 135.00 132.12 2dit s PRO 9 Ca 0.00 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 2dit s PRO 9 Cb 0.00 -4.04 0.03 0.00 0.04 0.00 0.00 34.50 30.53 2dit s PRO 9 CO 0.00 -1.34 0.03 -1.12 0.04 0.00 0.00 177.00 174.61 2dit s SER 10 N 4.32 0.97 -0.86 6.66 0.01 -1.26 -5.07 113.70 118.46 2dit s SER 10 Ca 0.71 0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.76 2dit s SER 10 Cb -0.24 -0.22 -0.21 0.00 0.21 0.00 0.00 66.02 65.56 2dit s SER 10 CO 0.29 -0.19 2.44 0.54 0.41 0.00 0.00 173.24 176.73 2dit n ARG 11 N 4.88 0.30 -1.53 12.44 1.74 -1.26 -4.75 116.66 128.48 2dit n ARG 11 Ca -0.12 -0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.42 2dit n ARG 11 Cb 0.50 -2.12 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 2dit n ARG 11 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dit n MET 12 N 7.79 0.87 -3.28 5.56 2.81 -1.26 -4.88 117.12 124.73 2dit n MET 12 Ca 0.58 0.06 -0.46 0.00 -1.81 0.00 0.00 57.70 56.07 2dit n MET 12 Cb 0.23 -2.89 -0.04 0.00 -0.71 0.00 0.00 33.22 29.81 2dit n MET 12 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2dit s ARG 13 N 8.10 3.13 0.29 0.03 0.52 -1.26 -5.02 118.95 124.75 2dit s ARG 13 Ca 1.08 -1.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.53 2dit s ARG 13 Cb -0.51 -4.33 -0.02 0.00 0.52 0.00 0.00 34.95 30.61 2dit s ARG 13 CO 0.34 -1.36 0.18 0.72 0.02 0.00 0.00 175.30 175.20 2dit n HIS 14 N 5.17 -0.30 -1.66 -0.53 8.25 -1.26 -5.05 115.22 119.84 2dit n HIS 14 Ca -0.07 -2.18 -0.37 0.00 -0.26 0.00 0.00 57.72 54.84 2dit n HIS 14 Cb 0.42 0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2dit n HIS 14 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2dit n GLU 15 N -0.61 3.98 -2.15 -0.41 1.02 -1.26 -4.67 120.64 116.54 2dit n GLU 15 Ca 0.01 -2.81 -0.36 0.00 -0.02 0.00 0.00 57.16 53.99 2dit n GLU 15 Cb 0.49 -2.62 0.02 0.00 -0.02 0.00 0.00 31.44 29.32 2dit n GLU 15 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2dit n ARG 16 N 2.33 3.11 -4.12 3.49 0.00 -1.26 -4.80 116.66 115.42 2dit n ARG 16 Ca 0.66 -3.91 -0.14 0.00 -0.00 0.00 0.00 57.85 54.46 2dit n ARG 16 Cb 0.30 -2.27 -0.11 0.00 -0.00 0.00 0.00 32.46 30.38 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2dit s VAL 17 N -5.16 0.72 -0.02 8.89 1.01 -1.26 -0.32 120.40 124.26 2dit s VAL 17 Ca 0.50 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2dit s VAL 17 Cb 0.41 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2dit s VAL 17 CO -0.33 -0.48 -0.13 0.68 0.00 0.00 0.00 175.10 174.84 2dit s VAL 18 N -1.94 1.05 0.10 2.92 -7.23 -1.02 -0.74 120.40 113.54 2dit s VAL 18 Ca -0.02 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2dit s VAL 18 Cb -0.06 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 2dit s VAL 18 CO -0.00 0.30 0.12 -0.63 -0.31 0.00 0.00 175.10 174.57 2dit s ILE 19 N -0.22 4.66 0.02 -0.62 -1.09 0.11 -2.26 121.20 121.80 2dit s ILE 19 Ca 0.03 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 2dit s ILE 19 Cb -0.06 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2dit s ILE 19 CO -0.00 0.07 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.06 2dit s ILE 20 N -1.49 0.68 0.25 2.92 -1.09 -1.21 -2.08 121.20 119.17 2dit s ILE 20 Ca 0.30 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 2dit s ILE 20 Cb -0.12 -0.63 -0.05 0.00 -1.58 0.00 0.00 42.46 40.08 2dit s ILE 20 CO 0.23 -0.03 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.30 2dit s LYS 21 N -0.78 1.44 -1.28 2.79 3.01 -1.13 -2.95 119.74 120.84 2dit s LYS 21 Ca -0.01 -1.70 -0.12 0.00 -1.01 0.00 0.00 55.97 53.14 2dit s LYS 21 Cb -0.06 -1.06 -0.00 0.00 -1.01 0.00 0.00 37.83 35.70 2dit s LYS 21 CO 0.00 0.07 0.60 -1.71 0.51 0.00 0.00 175.35 174.82 2dit n ASN 22 N -0.49 -2.74 0.00 2.83 5.15 -0.98 -3.44 115.26 115.61 2dit n ASN 22 Ca -0.06 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 2dit n ASN 22 Cb 0.62 -3.11 0.00 0.00 -0.53 0.00 0.00 39.78 36.76 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 -4.36 1.62 -3.83 1.20 0.00 -1.25 -4.27 117.12 106.23 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 -0.87 0.01 0.00 0.00 0.00 0.00 33.22 32.99 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 -1.48 -0.01 -0.13 3.17 -0.12 -1.26 -4.37 117.98 113.77 2dit s PHE 24 Ca 0.00 -0.57 -0.13 0.00 -0.05 0.00 0.00 56.93 56.18 2dit s PHE 24 Cb 0.00 0.78 0.04 0.00 -0.63 0.00 0.00 43.02 43.21 2dit s PHE 24 CO 0.00 -1.42 0.36 -1.58 -0.05 0.00 0.00 175.22 172.54 2dit s HIS 25 N -2.99 -0.39 -2.00 3.49 2.46 -1.26 -2.58 115.29 112.01 2dit s HIS 25 Ca 0.14 0.95 0.13 0.00 0.47 0.00 0.00 55.06 56.75 2dit s HIS 25 Cb -0.05 0.14 0.80 0.00 -0.13 0.00 0.00 32.58 33.33 2dit s HIS 25 CO 0.09 -0.20 1.22 -0.35 -2.47 0.00 0.00 174.74 173.03 2dit n PRO 26 N 2.80 0.49 0.05 2.88 -0.04 -1.26 -2.05 135.00 137.86 2dit n PRO 26 Ca -0.13 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2dit n PRO 26 Cb 0.57 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.93 0.61 0.07 0.54 1.56 -1.26 -4.03 117.12 113.67 2dit n MET 27 Ca 0.10 -0.03 -0.18 0.00 -0.27 0.00 0.00 57.70 57.33 2dit n MET 27 Cb 0.05 -1.68 -0.14 0.00 2.15 0.00 0.00 33.22 33.60 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 0.43 0.37 6.12 5.19 -1.79 -3.31 116.42 123.43 2dit h ASP 28 Ca 0.00 -0.60 -0.04 0.00 -0.62 0.00 0.00 57.03 55.78 2dit h ASP 28 Cb 0.98 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 2dit h ASP 28 CO 0.00 1.50 -0.19 -0.26 -3.12 0.00 0.00 179.24 177.17 2dit h PHE 29 N 0.07 0.00 0.00 4.55 0.04 -1.69 -1.75 116.94 118.16 2dit h PHE 29 Ca -0.26 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 2dit h PHE 29 Cb 2.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.18 2dit h PHE 29 CO 0.07 0.19 -0.08 0.93 -0.60 0.00 0.00 178.31 178.82 2dit h GLU 30 N 0.00 0.00 0.00 1.51 5.08 -1.70 -2.84 114.58 116.63 2dit h GLU 30 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2dit h GLU 30 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2dit h GLU 30 CO 0.02 0.08 -1.89 -3.47 -1.00 0.00 0.00 179.01 172.75 2dit n ASP 31 N -3.25 0.48 -3.64 1.42 -0.08 -0.71 -4.99 116.55 105.78 2dit n ASP 31 Ca -0.00 0.22 -0.06 0.00 -1.51 0.00 0.00 54.79 53.44 2dit n ASP 31 Cb 0.31 0.56 -0.07 0.00 2.34 0.00 0.00 41.12 44.26 2dit n ASP 31 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2dit s ASP 32 N -5.65 -0.26 0.19 1.67 1.01 -0.92 -5.05 116.67 107.67 2dit s ASP 32 Ca -0.06 0.48 -0.05 0.00 0.71 0.00 0.00 52.55 53.63 2dit s ASP 32 Cb 0.08 0.49 0.12 0.00 1.01 0.00 0.00 42.92 44.62 2dit s ASP 32 CO 0.83 -0.10 1.55 1.55 0.21 0.00 0.00 175.17 179.21 2dit h PRO 33 N 3.60 0.68 -0.92 8.23 0.13 -1.85 -3.25 132.00 138.61 2dit h PRO 33 Ca -0.27 -0.36 0.21 0.00 -0.87 0.00 0.00 66.00 64.72 2dit h PRO 33 Cb 1.19 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2dit h PRO 33 CO 0.15 0.97 -0.12 1.28 -0.23 0.00 0.00 178.00 180.05 2dit n LEU 34 N -4.03 -0.24 -0.27 1.56 7.99 -1.26 -0.21 117.00 120.54 2dit n LEU 34 Ca -0.02 1.58 -0.09 0.00 -0.01 0.00 0.00 56.01 57.47 2dit n LEU 34 Cb 0.54 -0.52 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 2dit n LEU 34 CO 0.46 -1.55 0.54 0.58 -1.51 0.00 0.00 177.39 175.91 2dit h VAL 35 N 0.00 0.04 -0.41 4.08 2.07 -1.88 0.39 116.25 120.54 2dit h VAL 35 Ca 0.49 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.95 2dit h VAL 35 Cb 0.88 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2dit h VAL 35 CO -0.92 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 176.90 2dit h LEU 36 N -0.17 0.64 0.67 2.57 5.85 -0.81 -1.64 115.31 122.43 2dit h LEU 36 Ca 0.18 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2dit h LEU 36 Cb 0.54 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2dit h LEU 36 CO -0.78 0.73 -0.32 0.78 -0.34 0.00 0.00 178.44 178.51 2dit h ASN 37 N 0.63 -0.76 -0.94 1.25 2.35 0.62 0.22 115.58 118.95 2dit h ASN 37 Ca 0.13 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 56.00 2dit h ASN 37 Cb 0.43 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.92 2dit h ASN 37 CO 0.02 -0.55 0.58 1.05 -1.65 0.00 0.00 177.43 176.88 2dit h GLU 38 N -0.90 0.92 0.47 0.81 4.11 -0.42 -1.15 114.58 118.42 2dit h GLU 38 Ca -0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.69 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2dit h GLU 38 CO 0.15 0.61 -0.23 0.82 0.07 0.00 0.00 179.01 180.44 2dit h ILE 39 N 0.95 0.53 0.31 -1.06 2.04 -1.19 0.54 117.51 119.62 2dit h ILE 39 Ca 0.45 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2dit h ILE 39 Cb 0.39 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2dit h ILE 39 CO -0.24 0.03 -0.47 -0.09 0.00 0.00 0.00 178.15 177.37 2dit h ARG 40 N -0.71 -0.80 -0.77 2.37 2.43 -0.15 -1.24 114.38 115.50 2dit h ARG 40 Ca -0.06 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2dit h ARG 40 Cb 0.52 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 2dit h ARG 40 CO 0.11 -0.53 0.51 1.05 -1.51 0.00 0.00 179.97 179.59 2dit h GLU 41 N -0.83 0.55 -0.55 0.20 4.11 -1.25 -1.08 114.58 115.73 2dit h GLU 41 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dit h GLU 41 Cb 0.78 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2dit h GLU 41 CO -0.16 0.36 0.32 -0.44 0.07 0.00 0.00 179.01 179.17 2dit h ASP 42 N 0.57 0.66 0.58 3.06 3.32 0.06 0.15 116.42 124.82 2dit h ASP 42 Ca 0.37 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2dit h ASP 42 Cb 0.65 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2dit h ASP 42 CO -0.14 0.54 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.65 2dit h LEU 43 N 0.74 0.00 0.00 1.55 3.38 -0.10 0.28 115.31 121.15 2dit h LEU 43 Ca 0.20 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.94 2dit h LEU 43 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2dit h LEU 43 CO -0.04 0.20 -1.24 -0.09 0.09 0.00 0.00 178.44 177.36 2dit h ARG 44 N 0.00 0.00 0.00 1.13 2.43 -0.76 -2.98 114.38 114.20 2dit h ARG 44 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2dit h ARG 44 Cb 0.55 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2dit h ARG 44 CO 0.03 0.73 -1.27 -0.39 -1.51 0.00 0.00 179.97 177.56 2dit h VAL 45 N 0.00 0.56 0.03 0.20 -1.51 -0.37 -3.18 116.25 111.98 2dit h VAL 45 Ca -0.12 -2.04 -0.14 0.00 -1.23 0.00 0.00 66.70 63.17 2dit h VAL 45 Cb 1.81 2.10 0.01 0.00 -2.13 0.00 0.00 31.29 33.08 2dit h VAL 45 CO 0.10 0.32 -0.56 1.05 -1.23 0.00 0.00 177.57 177.25 2dit h GLU 46 N 0.00 0.34 0.00 5.19 4.11 -0.56 -3.12 114.58 120.53 2dit h GLU 46 Ca -0.14 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2dit h GLU 46 Cb 1.55 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2dit h GLU 46 CO 0.05 1.09 0.00 0.00 0.07 0.00 0.00 179.01 180.22 2dit h SER 48 N 0.00 0.11 -1.16 0.00 0.87 -1.56 -3.30 113.55 108.51 2dit h SER 48 Ca 0.00 -0.11 0.44 0.00 -1.23 0.00 0.00 61.79 60.89 2dit h SER 48 Cb 0.51 -0.04 -0.16 0.00 -0.44 0.00 0.00 62.40 62.27 2dit h SER 48 CO 0.00 1.05 0.70 0.29 -0.53 0.00 0.00 176.83 178.34 2dit n LYS 49 N -3.45 -0.05 0.05 2.24 4.76 -1.10 0.19 118.16 120.81 2dit n LYS 49 Ca -0.02 1.29 -0.13 0.00 -2.87 0.00 0.00 58.31 56.58 2dit n LYS 49 Cb 0.92 -2.42 -0.14 0.00 -1.84 0.00 0.00 35.03 31.56 2dit n LYS 49 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2dit h PHE 50 N 0.00 0.27 0.00 2.13 0.04 -1.78 -3.49 116.94 114.11 2dit h PHE 50 Ca 0.85 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.42 2dit h PHE 50 Cb 2.49 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.63 2dit h PHE 50 CO -0.01 1.22 0.00 0.41 -0.60 0.00 0.00 178.31 179.34 2dit n GLY 51 N 1.57 -0.75 3.11 -1.45 0.00 0.52 -5.07 105.19 103.12 2dit n GLY 51 Ca -0.13 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 0.58 -4.02 1.61 6.02 -1.25 -4.64 117.38 115.68 2dit n GLN 52 Ca 0.00 -2.75 -0.31 0.00 -0.01 0.00 0.00 57.00 53.93 2dit n GLN 52 Cb 0.00 2.53 -0.15 0.00 1.02 0.00 0.00 30.24 33.64 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 -2.92 2.26 0.40 5.09 -1.09 -1.26 -4.53 121.20 119.15 2dit s ILE 53 Ca 0.30 -2.30 0.08 0.00 -2.23 0.00 0.00 60.65 56.49 2dit s ILE 53 Cb -0.00 -2.66 0.28 0.00 -1.58 0.00 0.00 42.46 38.50 2dit s ILE 53 CO 0.21 -0.57 2.02 0.03 -1.23 0.00 0.00 174.94 175.40 2dit h ARG 54 N 7.62 0.57 -1.56 2.79 2.47 -1.68 -3.44 114.38 121.15 2dit h ARG 54 Ca -0.05 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.73 2dit h ARG 54 Cb 1.02 -0.13 -0.27 0.00 -1.65 0.00 0.00 29.97 28.95 2dit h ARG 54 CO 0.52 0.38 0.43 0.21 0.56 0.00 0.00 179.97 182.06 2dit s LYS 55 N -5.53 0.43 -0.06 0.04 2.47 -1.16 -4.99 119.74 110.94 2dit s LYS 55 Ca -0.09 0.62 0.03 0.00 -1.56 0.00 0.00 55.97 54.98 2dit s LYS 55 Cb 0.18 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.71 2dit s LYS 55 CO 0.74 -0.07 -0.15 -1.17 0.16 0.00 0.00 175.35 174.86 2dit s LEU 56 N 0.78 1.78 -0.05 5.43 2.96 -1.26 0.16 118.68 128.48 2dit s LEU 56 Ca -0.03 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2dit s LEU 56 Cb -0.04 -0.94 0.03 0.00 0.50 0.00 0.00 46.19 45.74 2dit s LEU 56 CO -0.11 0.08 0.05 -0.76 -1.32 0.00 0.00 176.35 174.30 2dit s LEU 57 N 0.45 0.19 -0.32 -0.68 1.43 -0.00 -5.01 118.68 114.74 2dit s LEU 57 Ca -0.12 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 2dit s LEU 57 Cb -0.15 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 2dit s LEU 57 CO 0.04 -0.25 0.29 -0.22 0.23 0.00 0.00 176.35 176.44 2dit s LEU 58 N 2.15 4.32 -1.40 1.79 0.20 -1.26 0.03 118.68 124.50 2dit s LEU 58 Ca 0.05 -0.17 -0.09 0.00 0.69 0.00 0.00 54.13 54.61 2dit s LEU 58 Cb -0.12 -2.24 0.07 0.00 -0.43 0.00 0.00 46.19 43.47 2dit s LEU 58 CO -0.03 -0.22 2.36 0.49 -0.29 0.00 0.00 176.35 178.65 2dit n PHE 59 N 5.22 2.78 -0.02 5.38 3.72 -0.28 -4.73 117.46 129.53 2dit n PHE 59 Ca -0.11 -2.90 0.23 0.00 -0.05 0.00 0.00 57.45 54.62 2dit n PHE 59 Cb 0.50 -2.12 0.63 0.00 -0.94 0.00 0.00 39.48 37.55 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 5.21 0.00 0.73 4.37 2.03 -1.95 -1.04 116.42 125.77 2dit h ASP 60 Ca 0.64 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.91 2dit h ASP 60 Cb 0.44 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.93 2dit h ASP 60 CO 1.65 0.00 -0.47 0.03 -1.03 0.00 0.00 179.24 179.42 2dit h ARG 61 N 0.00 -1.10 -6.14 4.15 -0.00 -1.92 -3.34 114.38 106.02 2dit h ARG 61 Ca 0.30 0.07 -0.68 0.00 -0.50 0.00 0.00 59.98 59.18 2dit h ARG 61 Cb 1.80 0.25 0.01 0.00 0.00 0.00 0.00 29.97 32.03 2dit h ARG 61 CO -0.00 -0.73 1.11 1.58 0.00 0.00 0.00 179.97 181.92 2dit n HIS 62 N -5.60 2.02 0.98 3.04 -0.00 -0.39 -4.79 115.22 110.48 2dit n HIS 62 Ca -0.14 0.29 0.04 0.00 0.46 0.00 0.00 57.72 58.37 2dit n HIS 62 Cb 0.48 -2.55 0.26 0.00 -0.12 0.00 0.00 29.99 28.07 2dit n HIS 62 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2dit n PRO 63 N 6.58 0.49 -0.55 1.57 -0.04 -1.26 -2.25 135.00 139.54 2dit n PRO 63 Ca 0.29 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 2dit n PRO 63 Cb 0.21 -1.28 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.78 3.86 -3.26 3.54 2.03 -1.26 -4.79 116.55 115.88 2dit n ASP 64 Ca 0.07 -3.13 -0.21 0.00 0.52 0.00 0.00 54.79 52.04 2dit n ASP 64 Cb 0.03 -0.58 0.02 0.00 -0.72 0.00 0.00 41.12 39.87 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 -0.52 -0.76 3.37 0.27 0.00 -0.96 -2.31 105.19 104.29 2dit n GLY 65 Ca 0.25 1.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.96 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 -2.30 3.01 0.23 1.61 1.01 -1.25 -2.93 120.40 119.78 2dit s VAL 66 Ca 0.23 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2dit s VAL 66 Cb -0.04 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2dit s VAL 66 CO 0.83 0.53 -0.01 0.00 0.00 0.00 0.00 175.10 176.44 2dit s ALA 67 N 0.28 1.84 -0.19 5.51 0.00 -1.15 -1.12 121.76 126.93 2dit s ALA 67 Ca -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 2dit s ALA 67 Cb -0.16 0.43 0.06 0.00 0.00 0.00 0.00 23.12 23.45 2dit s ALA 67 CO 0.06 -0.22 0.00 0.45 0.00 0.00 0.00 175.76 176.05 2dit s SER 68 N -3.31 3.03 -0.44 0.00 0.15 0.10 -3.30 113.70 109.93 2dit s SER 68 Ca 0.28 -0.84 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 2dit s SER 68 Cb 0.05 -0.76 0.12 0.00 -1.71 0.00 0.00 66.02 63.72 2dit s SER 68 CO 0.08 -0.27 0.25 -0.69 1.20 0.00 0.00 173.24 173.81 2dit s VAL 69 N 1.73 3.43 0.24 4.45 1.01 -0.96 -0.82 120.40 129.48 2dit s VAL 69 Ca -0.01 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 2dit s VAL 69 Cb -0.17 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2dit s VAL 69 CO -0.07 -0.72 0.96 -0.55 0.00 0.00 0.00 175.10 174.72 2dit s SER 70 N 1.77 7.59 0.44 3.32 0.15 0.12 -2.43 113.70 124.67 2dit s SER 70 Ca 0.09 1.99 0.06 0.00 0.70 0.00 0.00 55.95 58.80 2dit s SER 70 Cb -0.23 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 2dit s SER 70 CO -0.04 0.11 0.20 -0.36 1.20 0.00 0.00 173.24 174.35 2dit s PHE 71 N -1.15 2.39 -0.23 3.44 0.40 0.56 -1.97 117.98 121.43 2dit s PHE 71 Ca 0.42 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 2dit s PHE 71 Cb -0.27 -1.92 -0.19 0.00 0.51 0.00 0.00 43.02 41.15 2dit s PHE 71 CO 0.33 0.09 -0.09 -2.13 0.70 0.00 0.00 175.22 174.12 2dit n ARG 72 N -1.32 0.67 -4.65 0.44 3.00 -1.26 -4.73 116.66 108.81 2dit n ARG 72 Ca -0.03 0.16 -0.33 0.00 -0.00 0.00 0.00 57.85 57.64 2dit n ARG 72 Cb 0.65 -1.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.43 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 -6.51 4.44 0.14 6.15 1.11 -1.26 -5.00 116.67 115.73 2dit s ASP 73 Ca -0.30 -0.14 0.19 0.00 0.18 0.00 0.00 52.55 52.47 2dit s ASP 73 Cb 0.08 -1.36 0.81 0.00 1.07 0.00 0.00 42.92 43.51 2dit s ASP 73 CO 0.65 0.27 1.59 -0.81 1.18 0.00 0.00 175.17 178.05 2dit n PRO 74 N 2.84 0.10 -0.04 8.23 -0.04 -1.26 -3.06 135.00 141.77 2dit n PRO 74 Ca -0.18 0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2dit n PRO 74 Cb 0.53 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.04 0.51 0.54 5.08 -2.00 -3.18 114.58 115.56 2dit h GLU 75 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2dit h GLU 75 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dit h GLU 75 CO 0.00 0.80 -0.24 0.93 -1.00 0.00 0.00 179.01 179.50 2dit h GLU 76 N -0.71 -0.65 -0.04 2.33 5.08 -1.96 -3.22 114.58 115.40 2dit h GLU 76 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dit h GLU 76 Cb 0.82 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2dit h GLU 76 CO 0.01 -0.36 -0.02 0.00 -1.00 0.00 0.00 179.01 177.64 2dit h ALA 77 N -0.54 -0.06 -1.02 3.43 0.00 -1.69 1.09 119.26 120.47 2dit h ALA 77 Ca -0.07 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.14 2dit h ALA 77 Cb 0.60 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2dit h ALA 77 CO 0.11 -0.07 1.19 -3.47 0.00 0.00 0.00 179.25 177.01 2dit n ASP 78 N -3.05 0.00 -0.05 0.00 2.03 -1.20 0.13 116.55 114.40 2dit n ASP 78 Ca 0.00 0.74 -0.22 0.00 0.52 0.00 0.00 54.79 55.83 2dit n ASP 78 Cb 0.01 -0.26 -0.13 0.00 -0.72 0.00 0.00 41.12 40.03 2dit n ASP 78 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2dit h TYR 79 N 0.00 0.23 -0.15 -0.67 5.03 0.98 -3.34 116.97 119.05 2dit h TYR 79 Ca 0.49 -0.17 0.04 0.00 2.58 0.00 0.00 58.73 61.67 2dit h TYR 79 Cb 2.87 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 41.13 2dit h TYR 79 CO 0.00 1.62 0.17 0.00 -1.32 0.00 0.00 178.16 178.63 2dit h ILE 81 N 0.00 1.53 0.00 0.00 -0.00 -1.31 0.11 117.51 117.84 2dit h ILE 81 Ca 0.07 -2.59 -0.10 0.00 -0.00 0.00 0.00 64.86 62.24 2dit h ILE 81 Cb 0.41 2.41 -0.02 0.00 -0.00 0.00 0.00 36.82 39.62 2dit h ILE 81 CO -0.00 0.74 -1.42 0.00 -0.00 0.00 0.00 178.15 177.48 2dit n GLN 82 N -3.65 0.62 0.02 0.16 10.64 0.16 -2.98 117.38 122.36 2dit n GLN 82 Ca -0.01 0.12 -0.01 0.00 -1.83 0.00 0.00 57.00 55.26 2dit n GLN 82 Cb 0.75 -1.76 -0.09 0.00 -0.86 0.00 0.00 30.24 28.28 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 -2.73 1.23 1.09 -0.39 -1.04 0.84 -3.94 114.28 109.33 2dit n THR 83 Ca -0.07 -0.71 0.12 0.00 -2.04 0.00 0.00 64.05 61.35 2dit n THR 83 Cb 0.73 -0.75 0.16 0.00 -1.82 0.00 0.00 70.33 68.64 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 -2.89 1.26 0.00 -4.42 4.77 0.38 -4.05 117.00 112.05 2dit n LEU 84 Ca -0.11 -0.42 0.05 0.00 -0.03 0.00 0.00 56.01 55.50 2dit n LEU 84 Cb 0.87 -0.08 0.27 0.00 -2.33 0.00 0.00 43.42 42.15 2dit n LEU 84 CO 0.43 0.25 0.62 -0.90 -1.33 0.00 0.00 177.39 176.46 2dit n ASP 85 N -0.71 0.00 0.00 -1.43 5.75 -1.16 -1.96 116.55 117.04 2dit n ASP 85 Ca 0.09 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 2dit n ASP 85 Cb 0.38 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.37 -0.55 3.45 6.12 0.00 -1.18 -4.17 105.19 108.48 2dit n GLY 86 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.23 -1.08 -4.36 1.61 5.12 -0.83 -4.56 116.66 112.34 2dit n ARG 87 Ca 0.00 -0.28 -0.26 0.00 -1.93 0.00 0.00 57.85 55.38 2dit n ARG 87 Cb 0.03 -2.00 -0.17 0.00 -1.16 0.00 0.00 32.46 29.16 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 -2.42 1.62 -0.01 -1.55 0.52 -1.26 0.67 118.94 116.52 2dit s TRP 88 Ca 0.61 -0.71 0.06 0.00 0.02 0.00 0.00 56.10 56.08 2dit s TRP 88 Cb -0.20 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.88 2dit s TRP 88 CO 0.65 -0.40 -0.19 -0.06 0.02 0.00 0.00 176.95 176.96 2dit s PHE 89 N 1.04 1.73 0.00 -1.98 0.40 0.38 -4.68 117.98 114.86 2dit s PHE 89 Ca -0.07 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2dit s PHE 89 Cb -0.15 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.28 2dit s PHE 89 CO -0.01 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.30 2dit n GLY 90 N 2.52 0.07 0.00 4.36 0.00 -1.26 -1.09 105.19 109.79 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 -0.52 2.61 3.88 -0.02 0.00 -1.26 -5.09 105.19 104.80 2dit n GLY 91 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 2.65 0.59 1.61 0.52 -0.25 -5.05 118.95 118.63 2dit s ARG 92 Ca 0.00 -1.41 -0.09 0.00 -0.52 0.00 0.00 55.73 53.71 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 0.97 -1.14 0.02 0.00 0.00 175.30 175.06 2dit s GLN 93 N -4.10 3.50 0.06 3.54 0.74 -1.26 0.14 119.66 122.28 2dit s GLN 93 Ca 0.46 0.57 0.01 0.00 0.05 0.00 0.00 55.36 56.45 2dit s GLN 93 Cb -0.05 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.88 2dit s GLN 93 CO 0.28 -0.53 -0.05 0.96 -0.55 0.00 0.00 175.29 175.40 2dit s ILE 94 N -3.09 0.43 0.15 -2.34 -4.36 0.21 -4.69 121.20 107.52 2dit s ILE 94 Ca 0.53 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 59.45 2dit s ILE 94 Cb -0.11 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 2dit s ILE 94 CO 0.51 -0.74 -0.07 0.28 0.24 0.00 0.00 174.94 175.16 2dit s THR 95 N -2.88 3.39 0.06 8.37 -1.32 -1.22 -3.08 115.64 118.96 2dit s THR 95 Ca 0.01 -1.47 0.05 0.00 -1.21 0.00 0.00 61.69 59.07 2dit s THR 95 Cb 0.00 -2.66 -0.03 0.00 -1.51 0.00 0.00 72.50 68.31 2dit s THR 95 CO -0.05 -0.04 -0.13 0.00 -2.21 0.00 0.00 174.62 172.19 2dit s ALA 96 N -1.56 1.08 0.14 11.08 0.00 -1.26 -2.84 121.76 128.41 2dit s ALA 96 Ca 0.24 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 2dit s ALA 96 Cb -0.10 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.00 2dit s ALA 96 CO 0.16 0.15 0.68 1.14 0.00 0.00 0.00 175.76 177.89 2dit s GLN 97 N -1.60 1.23 0.25 0.00 0.00 -0.88 -4.65 119.66 114.01 2dit s GLN 97 Ca -0.02 -0.49 -0.30 0.00 -0.00 0.00 0.00 55.36 54.55 2dit s GLN 97 Cb -0.10 0.54 -0.09 0.00 0.00 0.00 0.00 33.01 33.36 2dit s GLN 97 CO 0.02 -0.54 0.99 0.00 0.00 0.00 0.00 175.29 175.76 2dit s ALA 98 N -3.62 3.36 0.27 2.60 0.00 -1.26 0.04 121.76 123.15 2dit s ALA 98 Ca 0.03 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 2dit s ALA 98 Cb -0.01 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2dit s ALA 98 CO -0.10 0.09 0.75 -0.46 0.00 0.00 0.00 175.76 176.04 2dit s TRP 99 N -1.18 3.55 -0.28 0.00 -0.00 0.08 -4.80 118.94 116.31 2dit s TRP 99 Ca 0.42 1.36 0.08 0.00 -0.00 0.00 0.00 56.10 57.96 2dit s TRP 99 Cb -0.28 -2.61 0.46 0.00 -0.00 0.00 0.00 33.47 31.04 2dit s TRP 99 CO 0.35 0.24 1.19 -0.25 -0.00 0.00 0.00 176.95 178.48 2dit n ASP 100 N 0.32 4.47 -3.98 5.86 8.00 -1.26 -4.75 116.55 125.20 2dit n ASP 100 Ca 0.00 -3.69 -0.35 0.00 0.71 0.00 0.00 54.79 51.47 2dit n ASP 100 Cb 0.52 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.74 -0.62 0.00 0.44 0.00 -1.26 -4.79 105.19 98.22 2dit n GLY 101 Ca 0.40 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.94 0.00 -1.26 2.61 5.66 -1.26 -5.09 114.28 111.00 2dit n THR 102 Ca -0.09 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 2dit n THR 102 Cb 0.41 -0.20 0.10 0.00 -1.55 0.00 0.00 70.33 69.10 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 -1.73 2.55 -1.14 1.09 5.66 -1.26 -4.93 114.28 114.52 2dit n THR 103 Ca 0.00 -0.31 0.01 0.00 -3.05 0.00 0.00 64.05 60.71 2dit n THR 103 Cb 0.17 -1.15 0.25 0.00 -1.55 0.00 0.00 70.33 68.06 2dit n THR 103 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dit n ASP 104 N -2.31 3.69 0.01 1.09 8.00 -1.26 -4.63 116.55 121.14 2dit n ASP 104 Ca 0.13 -3.28 -0.04 0.00 0.71 0.00 0.00 54.79 52.31 2dit n ASP 104 Cb 0.50 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 2dit n ASP 104 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dit h TYR 105 N 1.74 -0.38 0.00 1.24 0.05 -2.02 -3.30 116.97 114.31 2dit h TYR 105 Ca 0.13 0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.59 2dit h TYR 105 Cb 1.72 0.17 -0.06 0.00 1.01 0.00 0.00 36.73 39.57 2dit h TYR 105 CO 0.83 -0.13 -2.03 0.00 -1.05 0.00 0.00 178.16 175.77 2dit n GLN 106 N -3.22 0.66 -1.55 4.88 0.00 -1.26 -4.96 117.38 111.93 2dit n GLN 106 Ca -0.02 0.16 -0.48 0.00 0.00 0.00 0.00 57.00 56.66 2dit n GLN 106 Cb 0.09 -1.67 -0.03 0.00 0.00 0.00 0.00 30.24 28.63 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 -2.92 0.82 -4.93 2.61 2.88 -1.24 -4.95 113.62 105.88 2dit n SER 107 Ca -0.25 1.15 -0.25 0.00 -1.33 0.00 0.00 58.87 58.19 2dit n SER 107 Cb 1.10 -1.18 -0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.36 1.44 0.29 0.46 0.00 -1.26 -4.89 107.32 103.00 2dit s GLY 108 Ca 0.68 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 2dit s GLY 108 CO 0.56 -0.65 1.24 2.56 0.00 0.00 0.00 173.10 176.81 2dit s PRO 109 N -4.54 4.45 -0.88 2.90 0.04 -1.26 -4.95 135.00 130.76 2dit s PRO 109 Ca 0.45 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 2dit s PRO 109 Cb -0.10 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.35 2dit s PRO 109 CO 0.40 -0.08 1.39 0.45 0.04 0.00 0.00 177.00 179.20 2dit s SER 110 N -0.44 6.30 -1.20 6.66 0.15 -1.26 -3.81 113.70 120.09 2dit s SER 110 Ca 0.49 -0.94 -0.07 0.00 0.70 0.00 0.00 55.95 56.13 2dit s SER 110 Cb -0.37 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.39 2dit s SER 110 CO 0.46 -1.70 1.05 -1.20 1.20 0.00 0.00 173.24 173.05 2dit n SER 111 N 9.28 -5.66 -0.61 5.45 7.64 -1.26 -5.37 113.62 123.08 2dit n SER 111 Ca 0.19 -0.49 0.13 0.00 1.01 0.00 0.00 58.87 59.72 2dit n SER 111 Cb 0.50 -4.56 0.41 0.00 -1.01 0.00 0.00 64.21 59.55 2dit n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64