#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 -0.70 -0.25 1.61 0.15 -1.26 -5.12 113.70 108.13 2dit s SER 2 Ca 0.00 1.13 -0.39 0.00 0.70 0.00 0.00 55.95 57.39 2dit s SER 2 Cb 0.00 1.07 -0.15 0.00 -1.71 0.00 0.00 66.02 65.24 2dit s SER 2 CO 0.00 -0.39 1.78 -1.54 1.20 0.00 0.00 173.24 174.29 2dit n SER 3 N 1.97 2.60 -0.10 5.45 3.41 -1.26 -4.85 113.62 120.84 2dit n SER 3 Ca -0.16 1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 59.36 2dit n SER 3 Cb 0.56 -1.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.23 2dit n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dit n GLY 4 N 4.27 -0.33 3.75 5.00 0.00 -1.26 -4.98 105.19 111.64 2dit n GLY 4 Ca 0.26 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2dit n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dit s SER 5 N -5.91 6.47 -0.33 1.61 0.15 -1.26 -4.94 113.70 109.49 2dit s SER 5 Ca -0.26 2.84 -0.28 0.00 0.70 0.00 0.00 55.95 58.95 2dit s SER 5 Cb 0.07 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2dit s SER 5 CO 0.49 -0.84 1.02 -0.55 1.20 0.00 0.00 173.24 174.56 2dit s SER 6 N 0.50 6.84 0.00 5.45 0.15 -1.26 -4.75 113.70 120.63 2dit s SER 6 Ca 0.63 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2dit s SER 6 Cb -0.46 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 2dit s SER 6 CO 0.45 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2dit n GLY 7 N 4.03 1.96 0.07 9.45 0.00 -1.26 -5.04 105.19 114.40 2dit n GLY 7 Ca 0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 2dit n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dit h GLY 8 N 0.00 -0.19 -3.02 -0.02 0.00 -2.04 -3.44 103.07 94.37 2dit h GLY 8 Ca 0.00 0.07 -0.51 0.00 0.00 0.00 0.00 47.33 46.89 2dit h GLY 8 CO 0.00 -0.07 0.51 2.56 0.00 0.00 0.00 176.54 179.54 2dit s PRO 9 N -3.30 3.94 -0.28 4.80 0.04 -1.26 -5.03 135.00 133.91 2dit s PRO 9 Ca -0.03 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2dit s PRO 9 Cb 0.00 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.99 2dit s PRO 9 CO 0.08 -0.42 -0.04 -1.54 0.04 0.00 0.00 177.00 175.12 2dit s SER 10 N -1.17 4.64 0.20 6.66 1.04 -1.26 -5.09 113.70 118.72 2dit s SER 10 Ca 0.59 -1.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.53 2dit s SER 10 Cb -0.31 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.06 2dit s SER 10 CO 0.38 -0.21 1.31 -0.13 0.98 0.00 0.00 173.24 175.57 2dit s ARG 11 N 1.24 4.39 -1.09 4.02 3.00 -1.26 -4.91 118.95 124.33 2dit s ARG 11 Ca -0.04 2.07 -0.22 0.00 0.00 0.00 0.00 55.73 57.53 2dit s ARG 11 Cb -0.19 -3.19 -0.02 0.00 0.00 0.00 0.00 34.95 31.55 2dit s ARG 11 CO -0.03 -0.25 1.82 -1.64 0.00 0.00 0.00 175.30 175.20 2dit s MET 12 N -0.18 2.97 -0.91 3.54 -1.94 -1.26 -4.88 119.30 116.64 2dit s MET 12 Ca 0.56 -1.05 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 2dit s MET 12 Cb -0.37 -5.26 0.23 0.00 2.01 0.00 0.00 34.83 31.44 2dit s MET 12 CO 0.39 -3.19 0.86 0.50 -0.01 0.00 0.00 175.02 173.57 2dit s ARG 13 N 5.96 3.71 -0.12 2.03 6.06 -1.26 -4.98 118.95 130.36 2dit s ARG 13 Ca 0.62 -2.75 -0.30 0.00 -2.50 0.00 0.00 55.73 50.80 2dit s ARG 13 Cb -0.01 -4.40 0.12 0.00 0.06 0.00 0.00 34.95 30.72 2dit s ARG 13 CO 0.04 -1.27 1.00 -3.38 -2.50 0.00 0.00 175.30 169.19 2dit s HIS 14 N -0.38 -0.33 0.16 5.12 -3.43 -1.26 -5.14 115.29 110.04 2dit s HIS 14 Ca 0.22 0.44 -0.32 0.00 -0.80 0.00 0.00 55.06 54.61 2dit s HIS 14 Cb -0.11 0.48 -0.11 0.00 -1.43 0.00 0.00 32.58 31.42 2dit s HIS 14 CO -0.08 -0.38 1.71 -1.21 -2.00 0.00 0.00 174.74 172.78 2dit s GLU 15 N -1.82 4.15 -0.03 -0.38 2.02 -1.26 -4.87 118.70 116.51 2dit s GLU 15 Ca 0.02 2.52 0.04 0.00 0.02 0.00 0.00 54.97 57.57 2dit s GLU 15 Cb -0.01 -3.28 0.06 0.00 0.10 0.00 0.00 34.13 31.00 2dit s GLU 15 CO -0.02 -0.74 0.90 2.89 0.02 0.00 0.00 175.26 178.31 2dit n ARG 16 N 4.59 0.62 -4.74 1.61 -4.01 -1.26 -4.72 116.66 108.74 2dit n ARG 16 Ca 0.16 -1.25 -0.29 0.00 -1.04 0.00 0.00 57.85 55.42 2dit n ARG 16 Cb 0.37 -0.76 -0.14 0.00 -3.04 0.00 0.00 32.46 28.89 2dit n ARG 16 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2dit s VAL 17 N -0.70 2.13 0.09 8.89 1.01 -1.26 0.72 120.40 131.27 2dit s VAL 17 Ca 0.06 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.64 2dit s VAL 17 Cb 0.06 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2dit s VAL 17 CO 0.01 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.87 2dit s VAL 18 N -0.88 1.58 0.06 2.92 -7.23 -0.91 -1.33 120.40 114.62 2dit s VAL 18 Ca 0.12 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 2dit s VAL 18 Cb -0.10 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2dit s VAL 18 CO 0.03 -0.05 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.98 2dit s ILE 19 N -1.12 2.96 0.06 -0.62 -1.09 0.51 -2.19 121.20 119.72 2dit s ILE 19 Ca 0.05 -1.22 0.07 0.00 -2.23 0.00 0.00 60.65 57.32 2dit s ILE 19 Cb -0.10 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 2dit s ILE 19 CO 0.03 0.26 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.19 2dit s ILE 20 N -1.02 1.51 0.22 2.92 -1.09 -1.16 -2.39 121.20 120.20 2dit s ILE 20 Ca 0.16 -1.28 0.07 0.00 -2.23 0.00 0.00 60.65 57.37 2dit s ILE 20 Cb -0.11 -1.35 -0.05 0.00 -1.58 0.00 0.00 42.46 39.37 2dit s ILE 20 CO 0.08 0.04 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.18 2dit s LYS 21 N -1.46 1.36 -1.35 2.79 3.01 -1.14 -3.19 119.74 119.76 2dit s LYS 21 Ca 0.05 -1.64 -0.10 0.00 -1.01 0.00 0.00 55.97 53.27 2dit s LYS 21 Cb -0.09 -1.03 0.01 0.00 -1.01 0.00 0.00 37.83 35.71 2dit s LYS 21 CO 0.02 0.10 0.45 -1.71 0.51 0.00 0.00 175.35 174.73 2dit n ASN 22 N -0.42 -1.65 0.00 2.83 5.15 -1.11 -3.47 115.26 116.59 2dit n ASN 22 Ca -0.07 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2dit n ASN 22 Cb 0.62 -2.60 0.00 0.00 -0.53 0.00 0.00 39.78 37.27 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 -4.50 1.47 -3.82 1.20 0.00 -1.25 -4.32 117.12 105.89 2dit n MET 23 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.40 2dit n MET 23 Cb 0.65 -0.88 -0.00 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 -1.69 -0.06 -0.10 3.17 -0.12 -1.26 -4.45 117.98 113.47 2dit s PHE 24 Ca 0.00 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 56.38 2dit s PHE 24 Cb 0.00 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 43.14 2dit s PHE 24 CO 0.00 -1.16 0.27 -1.58 -0.05 0.00 0.00 175.22 172.70 2dit s HIS 25 N -3.09 -0.29 -2.00 3.49 2.46 -1.26 -2.48 115.29 112.12 2dit s HIS 25 Ca 0.14 0.70 0.03 0.00 0.47 0.00 0.00 55.06 56.41 2dit s HIS 25 Cb -0.04 0.10 0.19 0.00 -0.13 0.00 0.00 32.58 32.70 2dit s HIS 25 CO 0.06 -0.15 0.67 -0.35 -2.47 0.00 0.00 174.74 172.51 2dit n PRO 26 N 2.90 0.49 -0.01 2.88 -0.04 -1.26 -2.08 135.00 137.88 2dit n PRO 26 Ca -0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 2dit n PRO 26 Cb 0.58 -1.10 -0.16 0.00 -0.04 0.00 0.00 33.50 32.78 2dit n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2dit n MET 27 N -0.60 0.66 0.09 0.54 2.81 -1.26 -4.15 117.12 115.20 2dit n MET 27 Ca 0.02 -0.17 -0.19 0.00 -1.81 0.00 0.00 57.70 55.55 2dit n MET 27 Cb 0.01 -1.54 -0.15 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.53 0.39 7.83 5.19 -1.78 -3.30 116.42 125.28 2dit h ASP 28 Ca -0.04 -0.68 -0.04 0.00 -0.62 0.00 0.00 57.03 55.65 2dit h ASP 28 Cb 1.10 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2dit h ASP 28 CO 0.00 1.56 -0.20 -0.26 -3.12 0.00 0.00 179.24 177.22 2dit h PHE 29 N 0.09 0.00 -0.01 4.55 0.04 -1.66 -1.75 116.94 118.21 2dit h PHE 29 Ca -0.25 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.43 2dit h PHE 29 Cb 2.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.20 2dit h PHE 29 CO 0.08 0.20 -0.41 0.93 -0.60 0.00 0.00 178.31 178.51 2dit h GLU 30 N 0.00 0.01 0.00 1.51 4.39 -1.72 -2.97 114.58 115.80 2dit h GLU 30 Ca -0.00 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 2dit h GLU 30 Cb 0.44 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2dit h GLU 30 CO 0.03 0.42 -1.52 0.22 -1.16 0.00 0.00 179.01 176.99 2dit h ASP 31 N 0.01 0.00 -3.06 1.42 1.82 -1.52 -3.48 116.42 111.62 2dit h ASP 31 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.71 2dit h ASP 31 Cb 0.73 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 40.47 2dit h ASP 31 CO 0.05 0.95 0.49 -1.81 -1.61 0.00 0.00 179.24 177.31 2dit s ASP 32 N -6.19 -0.42 0.21 2.28 1.01 -0.72 -5.05 116.67 107.80 2dit s ASP 32 Ca -0.03 0.80 -0.02 0.00 0.71 0.00 0.00 52.55 54.00 2dit s ASP 32 Cb 0.08 0.84 0.18 0.00 1.01 0.00 0.00 42.92 45.03 2dit s ASP 32 CO 0.82 -0.14 1.57 1.55 0.21 0.00 0.00 175.17 179.19 2dit h PRO 33 N 4.24 0.60 -0.99 8.23 0.13 -1.83 -3.23 132.00 139.14 2dit h PRO 33 Ca -0.28 -0.31 0.29 0.00 -0.87 0.00 0.00 66.00 64.82 2dit h PRO 33 Cb 1.18 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 2dit h PRO 33 CO 0.12 0.91 0.07 1.28 -0.23 0.00 0.00 178.00 180.14 2dit n LEU 34 N -4.02 -0.08 -0.21 1.56 7.99 -1.26 -0.32 117.00 120.67 2dit n LEU 34 Ca -0.02 1.69 -0.09 0.00 -0.01 0.00 0.00 56.01 57.58 2dit n LEU 34 Cb 0.53 -0.63 -0.05 0.00 -0.11 0.00 0.00 43.42 43.16 2dit n LEU 34 CO 0.46 -1.72 0.56 0.58 -1.51 0.00 0.00 177.39 175.75 2dit h VAL 35 N 0.00 0.07 -0.23 4.08 2.07 -1.87 0.35 116.25 120.72 2dit h VAL 35 Ca 0.62 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.07 2dit h VAL 35 Cb 1.33 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2dit h VAL 35 CO -0.92 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 176.74 2dit h LEU 36 N -0.24 0.39 0.75 2.57 5.85 -0.88 -1.99 115.31 121.76 2dit h LEU 36 Ca 0.17 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2dit h LEU 36 Cb 0.56 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.49 2dit h LEU 36 CO -0.69 0.59 -0.36 0.78 -0.34 0.00 0.00 178.44 178.42 2dit h ASN 37 N 0.37 -0.86 -0.71 1.25 2.35 0.46 0.27 115.58 118.71 2dit h ASN 37 Ca 0.07 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.93 2dit h ASN 37 Cb 0.53 0.22 -0.07 0.00 0.05 0.00 0.00 38.32 39.05 2dit h ASN 37 CO 0.03 -0.58 0.37 1.05 -1.65 0.00 0.00 177.43 176.66 2dit h GLU 38 N -1.07 0.63 0.18 0.81 4.11 -0.48 -0.96 114.58 117.80 2dit h GLU 38 Ca -0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 2dit h GLU 38 Cb 0.77 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2dit h GLU 38 CO 0.17 0.42 -0.08 0.82 0.07 0.00 0.00 179.01 180.40 2dit h ILE 39 N 0.65 0.86 0.42 -1.06 2.04 -1.31 0.32 117.51 119.43 2dit h ILE 39 Ca 0.34 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 2dit h ILE 39 Cb 0.31 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2dit h ILE 39 CO -0.24 0.04 -0.47 -0.09 0.00 0.00 0.00 178.15 177.39 2dit h ARG 40 N -0.31 -0.87 -0.85 2.37 2.43 -0.02 -1.48 114.38 115.65 2dit h ARG 40 Ca -0.02 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2dit h ARG 40 Cb 0.24 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 2dit h ARG 40 CO 0.04 -0.58 0.55 1.05 -1.51 0.00 0.00 179.97 179.53 2dit h GLU 41 N -0.90 0.61 -0.64 0.20 4.11 -1.21 -0.83 114.58 115.93 2dit h GLU 41 Ca -0.05 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.36 2dit h GLU 41 Cb 0.79 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2dit h GLU 41 CO -0.08 0.41 0.40 -0.44 0.07 0.00 0.00 179.01 179.37 2dit h ASP 42 N 0.63 0.66 0.41 3.06 3.32 -0.24 0.11 116.42 124.38 2dit h ASP 42 Ca 0.42 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.41 2dit h ASP 42 Cb 0.73 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2dit h ASP 42 CO -0.18 0.47 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.45 2dit h LEU 43 N 0.79 0.00 0.00 1.55 3.38 -0.15 0.27 115.31 121.15 2dit h LEU 43 Ca 0.25 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 2dit h LEU 43 Cb -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2dit h LEU 43 CO -0.09 0.29 -1.00 -0.09 0.09 0.00 0.00 178.44 177.63 2dit h ARG 44 N 0.00 0.00 0.00 1.13 2.43 -0.82 -2.74 114.38 114.39 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 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2dit h ARG 44 CO 0.04 0.95 -1.03 -0.39 -1.51 0.00 0.00 179.97 178.03 2dit h VAL 45 N 0.00 0.21 0.10 0.20 -1.51 -0.42 -3.12 116.25 111.70 2dit h VAL 45 Ca -0.02 -1.38 -0.13 0.00 -1.23 0.00 0.00 66.70 63.93 2dit h VAL 45 Cb 1.76 1.76 0.02 0.00 -2.13 0.00 0.00 31.29 32.69 2dit h VAL 45 CO 0.12 0.12 -0.57 1.05 -1.23 0.00 0.00 177.57 177.06 2dit h GLU 46 N 0.00 0.22 0.00 5.19 4.11 -0.54 -3.09 114.58 120.47 2dit h GLU 46 Ca -0.05 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2dit h GLU 46 Cb 1.21 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2dit h GLU 46 CO 0.02 1.17 0.00 0.00 0.07 0.00 0.00 179.01 180.26 2dit h SER 48 N 0.00 0.00 -0.91 0.00 0.87 -1.60 -3.30 113.55 108.60 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 0.57 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.37 2dit h SER 48 CO 0.00 0.88 0.17 0.11 -0.53 0.00 0.00 176.83 177.47 2dit h LYS 49 N 0.00 0.11 0.00 2.24 1.79 -1.43 0.83 116.57 120.11 2dit h LYS 49 Ca -0.07 -0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 2dit h LYS 49 Cb 1.73 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.34 2dit h LYS 49 CO 0.10 0.08 -0.66 0.74 -1.08 0.00 0.00 179.45 178.63 2dit h PHE 50 N 0.12 0.00 0.00 -1.35 -1.00 -1.77 -3.48 116.94 109.46 2dit h PHE 50 Ca 0.58 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.36 2dit h PHE 50 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 2dit h PHE 50 CO -0.33 0.61 0.00 0.41 -1.61 0.00 0.00 178.31 177.39 2dit n GLY 51 N 1.26 -0.60 3.46 -1.45 0.00 0.29 -4.97 105.19 103.17 2dit n GLY 51 Ca 0.01 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 0.86 -3.92 1.61 6.02 -1.24 -4.62 117.38 116.09 2dit n GLN 52 Ca 0.00 -2.52 -0.30 0.00 -0.01 0.00 0.00 57.00 54.16 2dit n GLN 52 Cb 0.00 2.68 -0.14 0.00 1.02 0.00 0.00 30.24 33.80 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 -2.54 2.20 0.39 5.09 -1.09 -1.26 -4.45 121.20 119.53 2dit s ILE 53 Ca 0.23 -2.80 0.09 0.00 -2.23 0.00 0.00 60.65 55.95 2dit s ILE 53 Cb -0.02 -2.57 0.31 0.00 -1.58 0.00 0.00 42.46 38.60 2dit s ILE 53 CO 0.17 -0.75 1.95 0.03 -1.23 0.00 0.00 174.94 175.10 2dit h ARG 54 N 6.95 0.60 -1.89 2.79 -0.00 -1.86 -3.43 114.38 117.54 2dit h ARG 54 Ca -0.06 -0.04 0.01 0.00 -0.50 0.00 0.00 59.98 59.39 2dit h ARG 54 Cb 0.94 -0.13 -0.22 0.00 0.00 0.00 0.00 29.97 30.55 2dit h ARG 54 CO 0.60 0.40 0.18 0.21 0.00 0.00 0.00 179.97 181.35 2dit s LYS 55 N -5.57 0.71 -0.02 0.04 2.47 -1.25 -5.02 119.74 111.10 2dit s LYS 55 Ca -0.09 0.96 0.04 0.00 -1.56 0.00 0.00 55.97 55.32 2dit s LYS 55 Cb 0.20 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.85 2dit s LYS 55 CO 0.77 -0.10 -0.14 -1.17 0.16 0.00 0.00 175.35 174.87 2dit s LEU 56 N 0.75 1.98 -0.13 5.43 2.96 -1.26 0.32 118.68 128.72 2dit s LEU 56 Ca -0.03 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2dit s LEU 56 Cb -0.05 -0.73 0.06 0.00 0.50 0.00 0.00 46.19 45.97 2dit s LEU 56 CO -0.07 0.15 0.18 -0.76 -1.32 0.00 0.00 176.35 174.54 2dit s LEU 57 N -0.21 -0.06 -0.38 -0.68 1.43 -0.50 -5.02 118.68 113.26 2dit s LEU 57 Ca 0.03 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2dit s LEU 57 Cb -0.07 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.45 2dit s LEU 57 CO -0.00 -0.28 0.43 -0.22 0.23 0.00 0.00 176.35 176.51 2dit s LEU 58 N 2.30 4.60 -1.55 1.79 0.20 -1.26 -0.15 118.68 124.61 2dit s LEU 58 Ca 0.04 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.38 2dit s LEU 58 Cb -0.14 -2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 43.17 2dit s LEU 58 CO -0.08 -0.48 2.71 0.49 -0.29 0.00 0.00 176.35 178.70 2dit n PHE 59 N 5.58 2.69 0.18 5.38 3.72 -0.14 -4.69 117.46 130.17 2dit n PHE 59 Ca -0.07 -3.03 0.16 0.00 -0.05 0.00 0.00 57.45 54.46 2dit n PHE 59 Cb 0.48 -2.41 0.60 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 5.18 0.00 0.92 4.37 2.03 -1.94 -1.21 116.42 125.77 2dit h ASP 60 Ca 0.78 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 57.03 2dit h ASP 60 Cb 0.37 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2dit h ASP 60 CO 1.77 0.00 -0.44 0.03 -1.03 0.00 0.00 179.24 179.57 2dit h ARG 61 N 0.00 -1.19 -6.22 4.15 -0.00 -1.92 -3.35 114.38 105.84 2dit h ARG 61 Ca 0.14 0.08 -0.67 0.00 -0.50 0.00 0.00 59.98 59.02 2dit h ARG 61 Cb 1.36 0.27 0.02 0.00 0.00 0.00 0.00 29.97 31.62 2dit h ARG 61 CO -0.00 -0.79 0.98 1.58 0.00 0.00 0.00 179.97 181.73 2dit n HIS 62 N -5.62 2.17 0.78 3.04 -0.00 -0.46 -4.80 115.22 110.33 2dit n HIS 62 Ca -0.16 0.28 0.07 0.00 0.46 0.00 0.00 57.72 58.37 2dit n HIS 62 Cb 0.49 -2.55 0.40 0.00 -0.12 0.00 0.00 29.99 28.20 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 5.81 0.29 -1.03 1.57 -0.04 -1.26 -2.50 135.00 137.84 2dit n PRO 63 Ca 0.24 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2dit n PRO 63 Cb 0.21 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.20 3.59 -3.18 3.54 -0.08 -1.26 -4.74 116.55 113.22 2dit n ASP 64 Ca 0.08 -3.56 -0.06 0.00 -1.51 0.00 0.00 54.79 49.74 2dit n ASP 64 Cb 0.10 -0.75 0.01 0.00 2.34 0.00 0.00 41.12 42.81 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dit n GLY 65 N -0.92 -0.48 3.17 0.27 0.00 -1.04 -2.76 105.19 103.43 2dit n GLY 65 Ca 0.47 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.18 1.75 0.09 1.61 1.01 -1.26 -2.90 120.40 119.52 2dit s VAL 66 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2dit s VAL 66 Cb -0.01 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2dit s VAL 66 CO 0.24 0.49 -0.11 0.00 0.00 0.00 0.00 175.10 175.72 2dit s ALA 67 N 0.24 1.14 -0.31 5.51 0.00 -1.19 -0.97 121.76 126.18 2dit s ALA 67 Ca -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2dit s ALA 67 Cb -0.15 -0.00 0.09 0.00 0.00 0.00 0.00 23.12 23.05 2dit s ALA 67 CO 0.05 0.02 0.02 0.45 0.00 0.00 0.00 175.76 176.30 2dit s SER 68 N -2.28 4.44 -0.45 0.00 0.15 0.78 -3.00 113.70 113.34 2dit s SER 68 Ca 0.04 -1.80 -0.15 0.00 0.70 0.00 0.00 55.95 54.74 2dit s SER 68 Cb -0.05 -1.41 0.06 0.00 -1.71 0.00 0.00 66.02 62.92 2dit s SER 68 CO 0.01 -0.33 0.36 -0.69 1.20 0.00 0.00 173.24 173.79 2dit s VAL 69 N 1.14 5.14 0.36 4.45 1.01 -0.93 -1.41 120.40 130.15 2dit s VAL 69 Ca 0.05 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 2dit s VAL 69 Cb -0.19 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 2dit s VAL 69 CO -0.10 -0.52 0.96 -0.44 0.00 0.00 0.00 175.10 175.00 2dit s SER 70 N 2.38 7.14 0.41 3.32 0.01 0.15 -2.13 113.70 124.98 2dit s SER 70 Ca 0.04 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.17 2dit s SER 70 Cb -0.23 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.39 2dit s SER 70 CO 0.07 -0.21 0.06 -0.36 0.41 0.00 0.00 173.24 173.21 2dit s PHE 71 N -1.77 1.96 -0.17 2.43 0.40 0.22 -3.18 117.98 117.88 2dit s PHE 71 Ca 0.54 -1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 2dit s PHE 71 Cb -0.17 -1.40 -0.10 0.00 0.51 0.00 0.00 43.02 41.87 2dit s PHE 71 CO 0.21 0.03 -0.16 -2.13 0.70 0.00 0.00 175.22 173.87 2dit n ARG 72 N -0.94 0.40 -4.63 0.44 3.00 -1.26 -4.81 116.66 108.87 2dit n ARG 72 Ca -0.08 0.11 -0.33 0.00 -0.00 0.00 0.00 57.85 57.55 2dit n ARG 72 Cb 0.66 -1.29 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 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 -5.79 4.44 0.50 6.15 -4.77 -1.26 -5.01 116.67 110.92 2dit s ASP 73 Ca -0.23 -0.14 0.28 0.00 -3.30 0.00 0.00 52.55 49.17 2dit s ASP 73 Cb 0.06 -1.02 1.18 0.00 -1.09 0.00 0.00 42.92 42.06 2dit s ASP 73 CO 0.36 0.32 1.93 1.55 0.70 0.00 0.00 175.17 180.03 2dit h PRO 74 N 4.95 0.00 0.65 2.11 0.13 -1.95 -3.25 132.00 134.64 2dit h PRO 74 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2dit h PRO 74 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2dit h PRO 74 CO 0.52 0.13 -0.31 0.93 -0.23 0.00 0.00 178.00 179.04 2dit h GLU 75 N 0.00 -0.84 -0.01 0.86 4.39 -1.95 -1.37 114.58 115.66 2dit h GLU 75 Ca -0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2dit h GLU 75 Cb 0.59 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2dit h GLU 75 CO 0.02 -0.56 -0.07 0.93 -1.16 0.00 0.00 179.01 178.17 2dit h GLU 76 N -1.06 -0.07 -0.50 2.33 3.07 -1.94 -1.44 114.58 114.97 2dit h GLU 76 Ca -0.09 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 2dit h GLU 76 Cb 0.67 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.52 2dit h GLU 76 CO 0.15 -0.05 -0.49 0.00 -1.40 0.00 0.00 179.01 177.22 2dit h ALA 77 N -1.31 -0.64 -1.60 3.43 0.00 -1.68 1.32 119.26 118.78 2dit h ALA 77 Ca 0.00 0.03 0.47 0.00 0.00 0.00 0.00 54.91 55.41 2dit h ALA 77 Cb 0.09 1.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2dit h ALA 77 CO -0.05 -0.91 1.13 0.22 0.00 0.00 0.00 179.25 179.64 2dit h ASP 78 N -0.24 0.05 0.36 0.00 1.82 -1.06 1.73 116.42 119.08 2dit h ASP 78 Ca 0.08 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 2dit h ASP 78 Cb 0.46 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 2dit h ASP 78 CO -0.60 -0.03 -1.69 0.00 -1.61 0.00 0.00 179.24 175.31 2dit n TYR 79 N -4.16 0.39 0.14 0.28 9.36 0.19 -4.14 117.16 119.23 2dit n TYR 79 Ca 0.37 0.12 0.02 0.00 3.32 0.00 0.00 57.90 61.73 2dit n TYR 79 Cb 1.65 -0.75 0.02 0.00 -0.63 0.00 0.00 39.34 39.64 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 0.00 0.73 0.00 0.00 -0.00 -0.41 0.26 117.51 118.09 2dit h ILE 81 Ca -0.01 -1.53 -0.10 0.00 -0.00 0.00 0.00 64.86 63.22 2dit h ILE 81 Cb 1.39 1.99 -0.02 0.00 -0.00 0.00 0.00 36.82 40.19 2dit h ILE 81 CO 0.07 0.33 -1.31 0.00 -0.00 0.00 0.00 178.15 177.23 2dit n GLN 82 N -3.39 0.62 0.01 0.16 10.64 -1.21 -3.09 117.38 121.12 2dit n GLN 82 Ca 0.01 0.16 0.07 0.00 -1.83 0.00 0.00 57.00 55.40 2dit n GLN 82 Cb 0.54 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.01 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 -2.77 0.50 1.08 -0.39 -1.04 -1.09 -4.10 114.28 106.47 2dit n THR 83 Ca -0.06 -0.58 0.12 0.00 -2.04 0.00 0.00 64.05 61.48 2dit n THR 83 Cb 0.72 -0.25 0.16 0.00 -1.82 0.00 0.00 70.33 69.15 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 -2.52 1.15 0.00 -4.42 4.77 0.89 -3.98 117.00 112.89 2dit n LEU 84 Ca -0.07 -0.37 0.09 0.00 -0.03 0.00 0.00 56.01 55.62 2dit n LEU 84 Cb 0.68 -0.10 0.43 0.00 -2.33 0.00 0.00 43.42 42.10 2dit n LEU 84 CO 0.44 0.23 0.76 -0.90 -1.33 0.00 0.00 177.39 176.59 2dit n ASP 85 N -0.85 0.00 0.00 -1.43 5.75 -1.18 -2.50 116.55 116.34 2dit n ASP 85 Ca 0.08 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2dit n ASP 85 Cb 0.37 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.22 -0.94 3.53 6.12 0.00 -1.17 -3.98 105.19 108.97 2dit n GLY 86 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 -0.71 -4.41 1.61 5.12 -1.04 -4.55 116.66 112.66 2dit n ARG 87 Ca 0.00 -0.16 -0.30 0.00 -1.93 0.00 0.00 57.85 55.47 2dit n ARG 87 Cb 0.05 -2.13 -0.17 0.00 -1.16 0.00 0.00 32.46 29.06 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 -2.50 2.17 -0.02 -1.55 0.52 -1.26 0.58 118.94 116.88 2dit s TRP 88 Ca 0.63 -1.09 0.06 0.00 0.02 0.00 0.00 56.10 55.73 2dit s TRP 88 Cb -0.22 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 2dit s TRP 88 CO 0.63 -0.55 -0.21 -0.06 0.02 0.00 0.00 176.95 176.77 2dit s PHE 89 N 1.06 1.94 0.00 -1.98 0.40 0.36 -4.66 117.98 115.10 2dit s PHE 89 Ca -0.04 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2dit s PHE 89 Cb -0.15 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2dit s PHE 89 CO -0.04 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.22 2dit n GLY 90 N 2.68 0.10 0.00 4.36 0.00 -1.26 -1.13 105.19 109.94 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 -0.76 2.22 3.83 -0.02 0.00 -1.26 -5.09 105.19 104.11 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 2.63 0.58 1.61 1.70 -0.28 -5.05 118.95 119.75 2dit s ARG 92 Ca 0.00 -1.38 -0.09 0.00 -0.47 0.00 0.00 55.73 53.79 2dit s ARG 92 Cb 0.00 -2.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 2dit s ARG 92 CO 0.00 0.07 0.95 -1.14 -1.08 0.00 0.00 175.30 174.10 2dit s GLN 93 N -3.98 3.56 0.11 3.89 0.74 -1.26 0.14 119.66 122.86 2dit s GLN 93 Ca 0.41 0.57 0.01 0.00 0.05 0.00 0.00 55.36 56.39 2dit s GLN 93 Cb -0.05 -2.17 -0.04 0.00 1.10 0.00 0.00 33.01 31.85 2dit s GLN 93 CO 0.26 -0.47 -0.02 0.96 -0.55 0.00 0.00 175.29 175.48 2dit s ILE 94 N -3.05 0.48 0.18 -2.34 -4.36 0.20 -4.72 121.20 107.58 2dit s ILE 94 Ca 0.53 -1.92 0.09 0.00 -0.26 0.00 0.00 60.65 59.09 2dit s ILE 94 Cb -0.11 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2dit s ILE 94 CO 0.51 -0.71 -0.13 0.28 0.24 0.00 0.00 174.94 175.13 2dit s THR 95 N -3.78 3.00 0.10 8.37 -1.32 -1.23 -3.06 115.64 117.73 2dit s THR 95 Ca 0.17 -1.73 0.06 0.00 -1.21 0.00 0.00 61.69 58.97 2dit s THR 95 Cb 0.06 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 2dit s THR 95 CO -0.02 -0.10 -0.15 0.00 -2.21 0.00 0.00 174.62 172.14 2dit s ALA 96 N -1.68 1.41 0.01 11.08 0.00 -1.26 -2.89 121.76 128.43 2dit s ALA 96 Ca 0.24 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 2dit s ALA 96 Cb -0.09 -0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.03 2dit s ALA 96 CO 0.14 0.15 0.90 1.14 0.00 0.00 0.00 175.76 178.09 2dit s GLN 97 N -2.25 0.85 0.07 0.00 0.00 -1.00 -4.72 119.66 112.60 2dit s GLN 97 Ca 0.05 -0.33 -0.24 0.00 -0.00 0.00 0.00 55.36 54.83 2dit s GLN 97 Cb -0.07 0.38 -0.06 0.00 0.00 0.00 0.00 33.01 33.25 2dit s GLN 97 CO 0.03 -0.37 0.74 0.00 0.00 0.00 0.00 175.29 175.69 2dit s ALA 98 N -3.13 3.41 0.31 2.60 0.00 -1.26 -0.36 121.76 123.33 2dit s ALA 98 Ca 0.06 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 2dit s ALA 98 Cb -0.01 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 2dit s ALA 98 CO -0.08 0.15 0.63 -0.46 0.00 0.00 0.00 175.76 176.01 2dit s TRP 99 N -0.41 3.45 -0.02 0.00 -0.00 -0.44 -4.87 118.94 116.65 2dit s TRP 99 Ca 0.37 0.88 -0.06 0.00 -0.00 0.00 0.00 56.10 57.29 2dit s TRP 99 Cb -0.21 -2.29 -0.02 0.00 -0.00 0.00 0.00 33.47 30.95 2dit s TRP 99 CO 0.23 0.11 -0.11 -0.25 -0.00 0.00 0.00 176.95 176.93 2dit n ASP 100 N -0.77 1.00 0.00 5.86 8.00 -1.26 -4.75 116.55 124.62 2dit n ASP 100 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2dit n ASP 100 Cb 0.53 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 2.56 -0.32 0.12 0.44 0.00 -1.26 -5.05 105.19 101.68 2dit n GLY 101 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.55 2.61 5.66 -1.26 -5.09 114.28 114.66 2dit n THR 102 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2dit n THR 102 Cb 0.00 -0.30 0.07 0.00 -1.55 0.00 0.00 70.33 68.54 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 -2.05 3.59 -1.33 1.09 5.66 -1.26 -4.92 114.28 115.06 2dit n THR 103 Ca 0.00 -0.46 -0.05 0.00 -3.05 0.00 0.00 64.05 60.48 2dit n THR 103 Cb 0.24 -1.15 0.21 0.00 -1.55 0.00 0.00 70.33 68.09 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 -1.14 2.99 0.12 1.09 8.00 -1.26 -4.64 116.55 121.72 2dit n ASP 104 Ca 0.14 -3.61 -0.15 0.00 0.71 0.00 0.00 54.79 51.88 2dit n ASP 104 Cb 0.48 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.84 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 1.20 -1.37 0.00 1.24 0.05 -1.97 -3.35 116.97 112.77 2dit h TYR 105 Ca 0.25 0.03 -0.29 0.00 0.05 0.00 0.00 58.73 58.78 2dit h TYR 105 Cb 1.84 0.58 -0.05 0.00 1.01 0.00 0.00 36.73 40.11 2dit h TYR 105 CO 1.05 -0.55 -2.08 0.00 -1.05 0.00 0.00 178.16 175.53 2dit n GLN 106 N -5.17 1.01 -1.71 4.88 -0.00 -1.26 -4.98 117.38 110.15 2dit n GLN 106 Ca -0.08 0.05 -0.43 0.00 -0.00 0.00 0.00 57.00 56.54 2dit n GLN 106 Cb 0.38 -1.39 -0.02 0.00 -0.00 0.00 0.00 30.24 29.20 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 -2.81 3.47 -4.55 2.61 2.88 -1.26 -4.92 113.62 109.04 2dit n SER 107 Ca -0.30 1.13 -0.37 0.00 -1.33 0.00 0.00 58.87 58.01 2dit n SER 107 Cb 0.94 -1.52 0.07 0.00 -0.75 0.00 0.00 64.21 62.94 2dit n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dit n GLY 108 N 2.53 -0.91 3.75 0.46 0.00 -1.26 -4.74 105.19 105.02 2dit n GLY 108 Ca 0.11 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2dit n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dit s PRO 109 N -2.87 4.42 0.60 1.61 0.04 -1.26 -4.99 135.00 132.54 2dit s PRO 109 Ca 0.71 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.61 2dit s PRO 109 Cb -0.37 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 2dit s PRO 109 CO 0.52 -0.17 1.25 0.45 0.04 0.00 0.00 177.00 179.09 2dit s SER 110 N -0.00 5.02 -0.34 6.66 0.15 -1.26 -5.02 113.70 118.91 2dit s SER 110 Ca 0.53 2.50 -0.01 0.00 0.70 0.00 0.00 55.95 59.68 2dit s SER 110 Cb -0.36 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.45 2dit s SER 110 CO 0.42 -1.72 0.15 -0.55 1.20 0.00 0.00 173.24 172.74 2dit s SER 111 N -1.46 3.73 0.00 5.45 0.15 -1.26 -5.31 113.70 115.00 2dit s SER 111 Ca 0.78 -1.85 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2dit s SER 111 Cb -0.34 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2dit s SER 111 CO 0.37 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.04