#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 6.09 -0.30 1.61 0.01 -1.26 -4.96 113.70 114.89 2dit s SER 2 Ca 0.00 -1.95 -0.14 0.00 1.31 0.00 0.00 55.95 55.17 2dit s SER 2 Cb 0.00 -2.14 0.18 0.00 0.21 0.00 0.00 66.02 64.26 2dit s SER 2 CO 0.00 -0.77 1.08 -0.55 0.41 0.00 0.00 173.24 173.41 2dit s SER 3 N 3.10 -0.39 0.00 2.44 0.15 -1.26 -5.10 113.70 112.63 2dit s SER 3 Ca 0.06 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2dit s SER 3 Cb -0.26 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 2dit s SER 3 CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dit n GLY 4 N 5.42 -1.97 3.60 9.45 0.00 -1.26 -5.18 105.19 115.26 2dit n GLY 4 Ca -0.05 0.95 -0.27 0.00 0.00 0.00 0.00 46.02 46.64 2dit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dit s SER 5 N 0.00 3.86 -0.25 1.61 0.01 -1.26 -5.12 113.70 112.55 2dit s SER 5 Ca 0.00 -1.32 -0.18 0.00 1.31 0.00 0.00 55.95 55.76 2dit s SER 5 Cb 0.00 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 2dit s SER 5 CO 0.00 -0.39 0.51 -0.55 0.41 0.00 0.00 173.24 173.22 2dit s SER 6 N -3.69 6.44 0.00 2.44 0.15 -1.26 -4.95 113.70 112.83 2dit s SER 6 Ca 0.35 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2dit s SER 6 Cb 0.08 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dit s SER 6 CO 0.18 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dit n GLY 7 N 4.35 -0.91 0.00 9.45 0.00 -1.26 -5.15 105.19 111.67 2dit n GLY 7 Ca -0.04 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2dit n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dit n GLY 8 N 0.00 0.85 3.73 -0.02 0.00 -1.26 -4.90 105.19 103.59 2dit n GLY 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.37 -0.06 1.61 0.04 -1.26 -5.03 135.00 134.67 2dit s PRO 9 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2dit s PRO 9 Cb 0.00 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.34 2dit s PRO 9 CO 0.00 -0.32 0.14 -1.12 0.04 0.00 0.00 177.00 175.74 2dit s SER 10 N 0.68 -0.13 -0.10 6.66 0.01 -1.26 -5.15 113.70 114.41 2dit s SER 10 Ca 0.60 0.28 0.01 0.00 1.31 0.00 0.00 55.95 58.15 2dit s SER 10 Cb -0.36 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 2dit s SER 10 CO 0.34 -0.09 -0.11 -0.13 0.41 0.00 0.00 173.24 173.67 2dit s ARG 11 N 0.50 3.06 0.96 12.44 0.52 -1.26 -5.11 118.95 130.06 2dit s ARG 11 Ca -0.04 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 2dit s ARG 11 Cb -0.05 -2.59 0.08 0.00 0.52 0.00 0.00 34.95 32.90 2dit s ARG 11 CO -0.02 0.42 -0.09 -1.33 0.02 0.00 0.00 175.30 174.29 2dit n MET 12 N 2.93 -1.48 -2.15 3.54 2.81 -1.26 -4.93 117.12 116.59 2dit n MET 12 Ca -0.18 -0.43 -0.23 0.00 -1.81 0.00 0.00 57.70 55.05 2dit n MET 12 Cb 0.53 -1.38 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 2dit n MET 12 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2dit n ARG 13 N -0.66 3.44 -3.82 0.03 0.00 -1.26 -5.04 116.66 109.35 2dit n ARG 13 Ca 0.03 -4.16 -0.09 0.00 -0.00 0.00 0.00 57.85 53.63 2dit n ARG 13 Cb 0.43 -2.22 0.02 0.00 -0.00 0.00 0.00 32.46 30.69 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 -3.60 0.08 -0.21 2.89 -3.43 -1.26 -5.15 115.29 104.62 2dit s HIS 14 Ca 0.49 -0.73 -0.14 0.00 -0.80 0.00 0.00 55.06 53.88 2dit s HIS 14 Cb 0.40 0.82 -0.04 0.00 -1.43 0.00 0.00 32.58 32.33 2dit s HIS 14 CO 0.00 -1.52 0.29 -1.83 -2.00 0.00 0.00 174.74 169.68 2dit s GLU 15 N -2.54 4.16 -0.30 -0.38 -1.05 -1.26 -4.98 118.70 112.35 2dit s GLU 15 Ca 0.15 0.01 0.07 0.00 -0.15 0.00 0.00 54.97 55.05 2dit s GLU 15 Cb -0.05 -3.51 0.46 0.00 -0.44 0.00 0.00 34.13 30.59 2dit s GLU 15 CO 0.11 0.06 1.20 0.54 0.95 0.00 0.00 175.26 178.12 2dit n ARG 16 N 4.20 3.60 -4.29 -4.83 3.00 -1.26 -4.95 116.66 112.14 2dit n ARG 16 Ca -0.11 -4.17 -0.18 0.00 -0.01 0.00 0.00 57.85 53.37 2dit n ARG 16 Cb 0.52 -2.28 -0.13 0.00 0.00 0.00 0.00 32.46 30.56 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 -4.64 0.92 0.05 1.55 1.01 -1.26 0.10 120.40 118.13 2dit s VAL 17 Ca 0.51 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2dit s VAL 17 Cb 0.41 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2dit s VAL 17 CO 0.03 -0.04 -0.19 0.68 0.00 0.00 0.00 175.10 175.59 2dit s VAL 18 N -0.83 1.49 0.15 2.92 -7.23 -0.94 -0.65 120.40 115.30 2dit s VAL 18 Ca -0.00 -1.17 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 2dit s VAL 18 Cb -0.07 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2dit s VAL 18 CO 0.01 0.11 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.25 2dit s ILE 19 N -0.85 3.66 -0.00 -0.62 -1.09 0.94 -2.13 121.20 121.10 2dit s ILE 19 Ca 0.05 -1.33 0.03 0.00 -2.23 0.00 0.00 60.65 57.17 2dit s ILE 19 Cb -0.09 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 2dit s ILE 19 CO 0.02 -0.02 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.98 2dit s ILE 20 N -1.55 0.72 0.14 2.92 -1.09 -1.18 -2.38 121.20 118.79 2dit s ILE 20 Ca 0.26 -0.42 0.09 0.00 -2.23 0.00 0.00 60.65 58.35 2dit s ILE 20 Cb -0.10 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 2dit s ILE 20 CO 0.17 0.18 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.31 2dit s LYS 21 N -0.27 1.27 -1.29 2.79 3.01 -1.17 -3.11 119.74 120.98 2dit s LYS 21 Ca 0.03 -1.33 -0.05 0.00 -1.01 0.00 0.00 55.97 53.61 2dit s LYS 21 Cb -0.04 -1.50 0.01 0.00 -1.01 0.00 0.00 37.83 35.28 2dit s LYS 21 CO -0.00 0.33 1.10 -1.71 0.51 0.00 0.00 175.35 175.58 2dit n ASN 22 N 0.65 -4.47 -0.00 2.83 5.15 -0.90 -3.36 115.26 115.16 2dit n ASN 22 Ca -0.16 -0.58 0.03 0.00 -0.60 0.00 0.00 54.58 53.27 2dit n ASN 22 Cb 0.55 -5.07 -0.04 0.00 -0.53 0.00 0.00 39.78 34.69 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 -4.63 1.75 -3.85 1.20 0.00 -1.26 -4.42 117.12 105.90 2dit n MET 23 Ca -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 57.70 57.51 2dit n MET 23 Cb 0.61 -1.01 0.01 0.00 0.00 0.00 0.00 33.22 32.83 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 -2.11 0.04 -0.10 3.17 -0.12 -1.26 -4.43 117.98 113.18 2dit s PHE 24 Ca -0.01 -0.44 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 2dit s PHE 24 Cb 0.04 0.70 0.03 0.00 -0.63 0.00 0.00 43.02 43.15 2dit s PHE 24 CO 0.23 -0.95 0.26 -1.58 -0.05 0.00 0.00 175.22 173.13 2dit s HIS 25 N -2.36 -0.28 -2.00 3.49 2.46 -1.26 -2.20 115.29 113.14 2dit s HIS 25 Ca 0.20 0.69 0.12 0.00 0.47 0.00 0.00 55.06 56.53 2dit s HIS 25 Cb -0.02 0.10 0.71 0.00 -0.13 0.00 0.00 32.58 33.23 2dit s HIS 25 CO 0.05 -0.15 1.14 -0.35 -2.47 0.00 0.00 174.74 172.96 2dit n PRO 26 N 2.88 0.49 -0.06 2.88 -0.04 -1.26 -2.29 135.00 137.60 2dit n PRO 26 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 2dit n PRO 26 Cb 0.58 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.88 0.66 0.01 0.54 1.56 -1.26 -4.08 117.12 113.67 2dit n MET 27 Ca 0.09 0.14 -0.12 0.00 -0.27 0.00 0.00 57.70 57.54 2dit n MET 27 Cb 0.04 -1.65 0.01 0.00 2.15 0.00 0.00 33.22 33.77 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 0.66 0.34 6.12 3.32 -1.82 -3.03 116.42 122.01 2dit h ASP 28 Ca -0.42 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.20 2dit h ASP 28 Cb 2.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.48 2dit h ASP 28 CO 0.05 1.14 -0.18 -0.26 -1.72 0.00 0.00 179.24 178.28 2dit h PHE 29 N 0.41 0.00 0.00 4.55 0.04 -1.66 -1.32 116.94 118.96 2dit h PHE 29 Ca -0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2dit h PHE 29 Cb 1.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.38 2dit h PHE 29 CO 0.06 0.18 -0.35 0.93 -0.60 0.00 0.00 178.31 178.52 2dit h GLU 30 N 0.00 0.00 0.01 1.51 4.39 -1.68 -3.07 114.58 115.74 2dit h GLU 30 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2dit h GLU 30 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2dit h GLU 30 CO 0.02 0.35 -1.78 -3.47 -1.16 0.00 0.00 179.01 172.98 2dit n ASP 31 N -3.68 0.88 -3.64 1.42 2.03 -0.75 -4.97 116.55 107.84 2dit n ASP 31 Ca -0.01 0.37 -0.08 0.00 0.52 0.00 0.00 54.79 55.59 2dit n ASP 31 Cb 0.45 -0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 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 -6.10 -0.49 0.17 1.67 1.01 -0.57 -5.05 116.67 107.30 2dit s ASP 32 Ca -0.06 0.91 -0.08 0.00 0.71 0.00 0.00 52.55 54.03 2dit s ASP 32 Cb 0.08 0.98 0.04 0.00 1.01 0.00 0.00 42.92 45.03 2dit s ASP 32 CO 0.82 -0.15 1.51 1.55 0.21 0.00 0.00 175.17 179.11 2dit h PRO 33 N 4.68 0.82 -0.85 8.23 0.13 -1.83 -3.26 132.00 139.92 2dit h PRO 33 Ca -0.28 -0.43 0.18 0.00 -0.87 0.00 0.00 66.00 64.60 2dit h PRO 33 Cb 1.18 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2dit h PRO 33 CO 0.12 1.07 -0.18 1.28 -0.23 0.00 0.00 178.00 180.06 2dit n LEU 34 N -4.04 -0.27 -0.26 1.56 7.99 -1.26 0.20 117.00 120.91 2dit n LEU 34 Ca -0.02 1.46 -0.06 0.00 -0.01 0.00 0.00 56.01 57.38 2dit n LEU 34 Cb 0.54 -0.46 -0.02 0.00 -0.11 0.00 0.00 43.42 43.38 2dit n LEU 34 CO 0.48 -1.42 0.58 0.58 -1.51 0.00 0.00 177.39 176.10 2dit h VAL 35 N 0.00 0.08 -0.22 4.08 2.07 -1.88 0.40 116.25 120.77 2dit h VAL 35 Ca 0.43 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.87 2dit h VAL 35 Cb 0.69 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2dit h VAL 35 CO -0.87 0.00 -0.21 0.25 0.02 0.00 0.00 177.57 176.76 2dit h LEU 36 N -0.15 0.39 0.77 2.57 5.85 -0.46 -1.75 115.31 122.54 2dit h LEU 36 Ca 0.22 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 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 -0.77 0.62 -0.37 0.78 -0.34 0.00 0.00 178.44 178.35 2dit h ASN 37 N 0.36 -0.87 -0.72 1.25 2.35 0.88 0.29 115.58 119.12 2dit h ASN 37 Ca 0.06 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 2dit h ASN 37 Cb 0.58 0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.11 2dit h ASN 37 CO 0.04 -0.58 0.41 1.05 -1.65 0.00 0.00 177.43 176.70 2dit h GLU 38 N -1.13 0.72 0.43 0.81 4.11 -0.46 -0.81 114.58 118.26 2dit h GLU 38 Ca -0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2dit h GLU 38 Cb 0.79 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2dit h GLU 38 CO 0.17 0.48 -0.21 0.82 0.07 0.00 0.00 179.01 180.34 2dit h ILE 39 N 0.75 0.57 0.31 -1.06 2.04 -1.28 0.47 117.51 119.30 2dit h ILE 39 Ca 0.32 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 2dit h ILE 39 Cb 0.21 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2dit h ILE 39 CO -0.19 0.03 -0.49 -0.09 0.00 0.00 0.00 178.15 177.41 2dit h ARG 40 N -0.68 -0.81 -0.88 2.37 1.12 -0.15 -1.50 114.38 113.84 2dit h ARG 40 Ca -0.06 0.06 0.14 0.00 -1.11 0.00 0.00 59.98 59.01 2dit h ARG 40 Cb 0.50 0.19 -0.07 0.00 -0.01 0.00 0.00 29.97 30.58 2dit h ARG 40 CO 0.10 -0.54 0.57 1.05 -3.11 0.00 0.00 179.97 178.04 2dit h GLU 41 N -0.85 0.67 -0.58 0.20 4.11 -1.19 -0.94 114.58 116.00 2dit h GLU 41 Ca -0.04 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.39 2dit h GLU 41 Cb 0.78 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2dit h GLU 41 CO -0.16 0.44 0.33 -0.44 0.07 0.00 0.00 179.01 179.26 2dit h ASP 42 N 0.69 0.51 0.33 3.06 3.32 -0.04 0.17 116.42 124.46 2dit h ASP 42 Ca 0.44 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.45 2dit h ASP 42 Cb 0.71 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2dit h ASP 42 CO -0.20 0.35 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.34 2dit h LEU 43 N 0.64 0.00 0.00 1.55 3.38 -0.21 0.45 115.31 121.11 2dit h LEU 43 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 2dit h LEU 43 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2dit h LEU 43 CO -0.14 0.26 -0.97 -0.09 0.09 0.00 0.00 178.44 177.59 2dit h ARG 44 N 0.00 0.00 0.00 1.13 2.43 -0.80 -2.76 114.38 114.38 2dit h ARG 44 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2dit h ARG 44 Cb 0.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2dit h ARG 44 CO 0.03 0.91 -1.29 -0.39 -1.51 0.00 0.00 179.97 177.73 2dit h VAL 45 N 0.00 0.50 0.01 0.20 -1.51 -0.24 -3.12 116.25 112.08 2dit h VAL 45 Ca -0.02 -1.95 -0.06 0.00 -1.23 0.00 0.00 66.70 63.44 2dit h VAL 45 Cb 1.73 2.04 0.01 0.00 -2.13 0.00 0.00 31.29 32.93 2dit h VAL 45 CO 0.12 0.29 -0.24 1.05 -1.23 0.00 0.00 177.57 177.56 2dit h GLU 46 N 0.00 0.14 0.00 5.19 4.11 -0.19 -2.93 114.58 120.90 2dit h GLU 46 Ca -0.13 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2dit h GLU 46 Cb 1.52 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2dit h GLU 46 CO 0.05 0.94 0.00 0.00 0.07 0.00 0.00 179.01 180.06 2dit h SER 48 N 0.00 0.00 -1.21 0.00 0.87 -1.57 -3.27 113.55 108.36 2dit h SER 48 Ca 0.00 0.00 0.35 0.00 -1.23 0.00 0.00 61.79 60.91 2dit h SER 48 Cb 0.56 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 2dit h SER 48 CO 0.00 0.98 0.83 0.11 -0.53 0.00 0.00 176.83 178.22 2dit h LYS 49 N 0.00 0.15 0.05 2.24 1.79 -1.31 0.38 116.57 119.88 2dit h LYS 49 Ca -0.02 -0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 58.14 2dit h LYS 49 Cb 1.77 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 32.35 2dit h LYS 49 CO 0.13 0.10 -1.67 0.74 -1.08 0.00 0.00 179.45 177.67 2dit h PHE 50 N 0.16 0.20 0.00 -1.35 -1.00 -1.75 -3.49 116.94 109.70 2dit h PHE 50 Ca 0.65 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 61.28 2dit h PHE 50 Cb 2.15 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.70 2dit h PHE 50 CO -0.00 1.24 0.00 0.41 -1.61 0.00 0.00 178.31 178.35 2dit n GLY 51 N 1.65 -0.39 3.53 -1.45 0.00 0.13 -5.03 105.19 103.64 2dit n GLY 51 Ca -0.18 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.92 1.97 -0.43 1.61 -0.21 -1.25 -4.67 119.66 117.59 2dit s GLN 52 Ca 0.00 -1.72 0.03 0.00 0.02 0.00 0.00 55.36 53.69 2dit s GLN 52 Cb 0.00 0.47 0.12 0.00 1.00 0.00 0.00 33.01 34.60 2dit s GLN 52 CO 0.00 -0.83 0.19 0.42 -2.12 0.00 0.00 175.29 172.94 2dit s ILE 53 N -2.92 2.04 0.35 1.08 -1.09 -1.26 -4.54 121.20 114.85 2dit s ILE 53 Ca 0.28 -2.69 0.07 0.00 -2.23 0.00 0.00 60.65 56.08 2dit s ILE 53 Cb -0.01 -2.45 0.31 0.00 -1.58 0.00 0.00 42.46 38.73 2dit s ILE 53 CO 0.19 -0.76 1.89 0.03 -1.23 0.00 0.00 174.94 175.06 2dit h ARG 54 N 6.99 0.73 -1.89 2.79 -0.00 -1.90 -3.43 114.38 117.67 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 -0.16 -0.22 0.00 0.00 0.00 0.00 29.97 30.53 2dit h ARG 54 CO 0.57 0.48 0.17 0.21 0.00 0.00 0.00 179.97 181.41 2dit s LYS 55 N -5.71 0.70 -0.02 0.04 2.47 -1.26 -5.02 119.74 110.94 2dit s LYS 55 Ca -0.10 0.97 0.05 0.00 -1.56 0.00 0.00 55.97 55.33 2dit s LYS 55 Cb 0.21 0.27 -0.01 0.00 -1.46 0.00 0.00 37.83 36.84 2dit s LYS 55 CO 0.79 -0.11 -0.16 -1.17 0.16 0.00 0.00 175.35 174.86 2dit s LEU 56 N 0.84 1.98 -0.05 5.43 2.96 -1.26 0.20 118.68 128.77 2dit s LEU 56 Ca -0.03 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2dit s LEU 56 Cb -0.05 -0.87 0.04 0.00 0.50 0.00 0.00 46.19 45.81 2dit s LEU 56 CO -0.08 0.18 0.10 -0.76 -1.32 0.00 0.00 176.35 174.47 2dit s LEU 57 N -0.22 0.82 -0.22 -0.68 1.43 -0.36 -5.03 118.68 114.42 2dit s LEU 57 Ca 0.03 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2dit s LEU 57 Cb -0.08 0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.34 2dit s LEU 57 CO 0.00 -0.15 -0.07 -0.22 0.23 0.00 0.00 176.35 176.15 2dit s LEU 58 N 1.18 2.89 -0.89 1.79 0.20 -1.26 -0.27 118.68 122.32 2dit s LEU 58 Ca -0.09 -0.60 -0.23 0.00 0.69 0.00 0.00 54.13 53.90 2dit s LEU 58 Cb -0.12 -1.67 0.07 0.00 -0.43 0.00 0.00 46.19 44.03 2dit s LEU 58 CO -0.05 -0.06 1.26 -0.36 -0.29 0.00 0.00 176.35 176.86 2dit s PHE 59 N 1.40 2.65 -0.06 5.38 0.08 -0.56 -4.85 117.98 122.02 2dit s PHE 59 Ca 0.04 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.31 2dit s PHE 59 Cb -0.15 -4.52 0.08 0.00 -0.57 0.00 0.00 43.02 37.86 2dit s PHE 59 CO -0.05 -1.81 1.12 -0.40 -0.10 0.00 0.00 175.22 173.98 2dit n ASP 60 N 8.23 3.11 -0.01 1.36 5.75 -1.26 -3.53 116.55 130.21 2dit n ASP 60 Ca 0.19 -2.20 -0.01 0.00 -0.01 0.00 0.00 54.79 52.76 2dit n ASP 60 Cb 0.49 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.30 0.03 -1.89 0.11 5.12 -1.26 -4.63 116.66 114.44 2dit n ARG 61 Ca 0.08 0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 2dit n ARG 61 Cb 0.65 -0.92 -0.03 0.00 -1.16 0.00 0.00 32.46 31.00 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 -2.03 1.82 -2.00 -1.55 2.46 -1.23 -4.80 115.29 107.96 2dit s HIS 62 Ca -0.02 0.01 0.10 0.00 0.47 0.00 0.00 55.06 55.62 2dit s HIS 62 Cb 0.01 -4.02 0.60 0.00 -0.13 0.00 0.00 32.58 29.04 2dit s HIS 62 CO 0.03 -4.39 1.04 -0.35 -2.47 0.00 0.00 174.74 168.61 2dit n PRO 63 N 7.05 0.49 -0.23 2.88 -0.04 -1.26 -2.05 135.00 141.84 2dit n PRO 63 Ca 0.18 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 2dit n PRO 63 Cb 0.42 -1.32 0.19 0.00 -0.04 0.00 0.00 33.50 32.74 2dit n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dit n ASP 64 N -0.82 2.87 -2.83 3.54 8.00 -1.26 -4.81 116.55 121.23 2dit n ASP 64 Ca 0.08 -3.10 -0.03 0.00 0.71 0.00 0.00 54.79 52.44 2dit n ASP 64 Cb 0.03 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.63 2dit n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dit n GLY 65 N -1.10 -2.88 2.95 0.44 0.00 -0.87 -2.11 105.19 101.62 2dit n GLY 65 Ca 0.18 0.90 -0.25 0.00 0.00 0.00 0.00 46.02 46.85 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 -0.55 1.02 0.17 1.61 1.01 -1.26 -2.93 120.40 119.47 2dit s VAL 66 Ca -0.14 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2dit s VAL 66 Cb 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2dit s VAL 66 CO 0.45 0.35 -0.15 0.00 0.00 0.00 0.00 175.10 175.75 2dit s ALA 67 N 1.19 1.84 -0.22 5.51 0.00 -1.18 -1.50 121.76 127.40 2dit s ALA 67 Ca -0.05 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.38 2dit s ALA 67 Cb -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.95 2dit s ALA 67 CO -0.02 0.09 -0.03 0.45 0.00 0.00 0.00 175.76 176.25 2dit s SER 68 N -2.97 3.57 -0.37 0.00 0.15 0.63 -3.09 113.70 111.63 2dit s SER 68 Ca 0.17 -1.07 -0.10 0.00 0.70 0.00 0.00 55.95 55.65 2dit s SER 68 Cb -0.02 -1.01 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 2dit s SER 68 CO 0.05 -0.26 0.19 -0.69 1.20 0.00 0.00 173.24 173.73 2dit s VAL 69 N 1.53 4.35 0.40 4.45 1.01 -0.91 -1.23 120.40 130.00 2dit s VAL 69 Ca -0.04 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 2dit s VAL 69 Cb -0.18 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 2dit s VAL 69 CO -0.07 -0.25 1.00 -0.44 0.00 0.00 0.00 175.10 175.34 2dit s SER 70 N 1.56 6.89 0.22 3.32 0.01 0.13 -2.21 113.70 123.61 2dit s SER 70 Ca 0.01 1.88 0.04 0.00 1.31 0.00 0.00 55.95 59.19 2dit s SER 70 Cb -0.20 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2dit s SER 70 CO 0.05 -0.40 -0.02 -0.36 0.41 0.00 0.00 173.24 172.93 2dit s PHE 71 N -1.83 1.53 -0.17 2.43 0.08 0.28 -3.53 117.98 116.77 2dit s PHE 71 Ca 0.58 -0.90 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 2dit s PHE 71 Cb -0.17 -0.87 -0.08 0.00 -0.57 0.00 0.00 43.02 41.32 2dit s PHE 71 CO 0.22 -0.02 -0.20 -2.13 -0.10 0.00 0.00 175.22 172.98 2dit n ARG 72 N -0.39 0.38 -3.51 0.44 3.00 -1.26 -4.77 116.66 110.55 2dit n ARG 72 Ca -0.06 0.14 -0.33 0.00 -0.00 0.00 0.00 57.85 57.61 2dit n ARG 72 Cb 0.63 -1.17 -0.05 0.00 0.00 0.00 0.00 32.46 31.87 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 -6.30 6.63 0.05 6.15 1.01 -1.26 -5.02 116.67 117.93 2dit s ASP 73 Ca -0.24 0.83 -0.19 0.00 0.71 0.00 0.00 52.55 53.66 2dit s ASP 73 Cb 0.08 -2.19 -0.13 0.00 1.01 0.00 0.00 42.92 41.69 2dit s ASP 73 CO 0.32 0.05 1.36 1.55 0.21 0.00 0.00 175.17 178.66 2dit h PRO 74 N 3.06 0.44 -0.86 8.23 0.13 -1.95 -3.02 132.00 138.03 2dit h PRO 74 Ca -0.47 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.39 2dit h PRO 74 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2dit h PRO 74 CO 0.69 0.80 0.41 0.93 -0.23 0.00 0.00 178.00 180.60 2dit h GLU 75 N 0.09 1.24 -0.14 0.86 5.08 -1.98 -0.83 114.58 118.90 2dit h GLU 75 Ca 0.03 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2dit h GLU 75 Cb 0.72 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2dit h GLU 75 CO 0.04 0.95 -0.04 1.49 -1.00 0.00 0.00 179.01 180.45 2dit h GLU 76 N 1.22 -0.01 0.14 2.33 4.57 -1.96 -0.49 114.58 120.39 2dit h GLU 76 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2dit h GLU 76 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2dit h GLU 76 CO -0.04 -0.00 -0.07 0.00 -1.18 0.00 0.00 179.01 177.72 2dit h ALA 77 N 1.13 -0.65 -1.81 2.92 0.00 -1.38 0.52 119.26 119.99 2dit h ALA 77 Ca 0.07 -0.04 0.53 0.00 0.00 0.00 0.00 54.91 55.47 2dit h ALA 77 Cb 0.11 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2dit h ALA 77 CO -0.15 -0.64 1.29 0.22 0.00 0.00 0.00 179.25 179.97 2dit h ASP 78 N -0.29 0.02 0.39 0.00 1.82 -1.22 1.47 116.42 118.62 2dit h ASP 78 Ca -0.02 0.01 -0.31 0.00 -0.39 0.00 0.00 57.03 56.32 2dit h ASP 78 Cb 0.15 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2dit h ASP 78 CO 0.03 -0.02 -1.76 0.22 -1.61 0.00 0.00 179.24 176.11 2dit h TYR 79 N 0.01 0.20 0.00 0.28 3.20 -1.03 -3.31 116.97 116.31 2dit h TYR 79 Ca 0.88 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.60 2dit h TYR 79 Cb 3.46 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 41.72 2dit h TYR 79 CO -0.00 1.29 0.00 0.00 -1.64 0.00 0.00 178.16 177.81 2dit n ILE 81 N -1.90 1.08 0.05 0.00 -6.64 0.24 -2.42 119.36 109.78 2dit n ILE 81 Ca 0.03 -0.67 0.05 0.00 -1.77 0.00 0.00 62.75 60.39 2dit n ILE 81 Cb 0.24 -0.65 -0.06 0.00 -1.44 0.00 0.00 39.64 37.72 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 -2.83 0.62 0.01 6.28 10.64 -1.02 -2.75 117.38 128.32 2dit n GLN 82 Ca -0.09 0.16 0.03 0.00 -1.83 0.00 0.00 57.00 55.26 2dit n GLN 82 Cb 0.81 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.29 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 0.83 0.73 -0.39 -1.04 -0.81 -4.12 114.28 106.72 2dit n THR 83 Ca -0.06 -0.65 0.11 0.00 -2.04 0.00 0.00 64.05 61.40 2dit n THR 83 Cb 0.73 -0.43 0.04 0.00 -1.82 0.00 0.00 70.33 68.84 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 -2.67 0.65 0.00 -4.42 4.77 -1.02 -4.02 117.00 110.30 2dit n LEU 84 Ca -0.11 -0.11 0.03 0.00 -0.03 0.00 0.00 56.01 55.79 2dit n LEU 84 Cb 0.79 -0.11 0.17 0.00 -2.33 0.00 0.00 43.42 41.94 2dit n LEU 84 CO 0.43 0.10 0.54 -0.90 -1.33 0.00 0.00 177.39 176.23 2dit n ASP 85 N -1.78 0.00 0.00 -1.43 5.68 -1.11 -1.53 116.55 116.38 2dit n ASP 85 Ca 0.03 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 2dit n ASP 85 Cb 0.40 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2dit n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dit n GLY 86 N -0.72 -0.01 3.52 6.12 0.00 -1.16 -4.06 105.19 108.88 2dit n GLY 86 Ca 0.03 0.00 -0.30 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 -0.14 -1.41 -4.08 1.61 5.12 -0.58 -4.59 116.66 112.59 2dit n ARG 87 Ca 0.00 -0.37 -0.28 0.00 -1.93 0.00 0.00 57.85 55.27 2dit n ARG 87 Cb 0.16 -2.17 -0.17 0.00 -1.16 0.00 0.00 32.46 29.12 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 -2.48 1.80 -0.02 -1.55 0.52 -1.26 0.51 118.94 116.46 2dit s TRP 88 Ca 0.66 -0.92 0.06 0.00 0.02 0.00 0.00 56.10 55.92 2dit s TRP 88 Cb -0.23 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2dit s TRP 88 CO 0.63 -0.54 -0.21 -0.06 0.02 0.00 0.00 176.95 176.79 2dit s PHE 89 N 1.44 1.86 0.00 -1.98 0.40 0.34 -4.67 117.98 115.38 2dit s PHE 89 Ca 0.02 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 2dit s PHE 89 Cb -0.13 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.19 2dit s PHE 89 CO -0.07 -0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.22 2dit n GLY 90 N 2.60 0.12 0.00 4.36 0.00 -1.26 -1.15 105.19 109.86 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 -0.87 1.85 3.77 -0.02 0.00 -1.26 -5.09 105.19 103.57 2dit n GLY 91 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.43 2.45 0.54 1.61 0.52 -0.30 -5.06 118.95 118.28 2dit s ARG 92 Ca 0.00 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.59 2dit s ARG 92 Cb 0.00 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 2dit s ARG 92 CO 0.00 0.08 0.95 -1.14 0.02 0.00 0.00 175.30 175.20 2dit s GLN 93 N -3.90 3.71 0.07 3.54 0.74 -1.26 0.13 119.66 122.68 2dit s GLN 93 Ca 0.39 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.51 2dit s GLN 93 Cb -0.03 -2.18 -0.03 0.00 1.10 0.00 0.00 33.01 31.87 2dit s GLN 93 CO 0.24 -0.36 -0.09 0.96 -0.55 0.00 0.00 175.29 175.48 2dit s ILE 94 N -2.86 0.75 0.13 -2.34 -4.36 0.18 -4.75 121.20 107.96 2dit s ILE 94 Ca 0.54 -1.37 0.05 0.00 -0.26 0.00 0.00 60.65 59.62 2dit s ILE 94 Cb -0.10 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 2dit s ILE 94 CO 0.43 -0.47 0.04 0.28 0.24 0.00 0.00 174.94 175.47 2dit s THR 95 N -1.92 4.13 0.12 8.37 -1.32 -1.21 -2.99 115.64 120.81 2dit s THR 95 Ca -0.02 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.44 2dit s THR 95 Cb -0.06 -3.03 -0.04 0.00 -1.51 0.00 0.00 72.50 67.86 2dit s THR 95 CO -0.00 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.22 2dit s ALA 96 N -1.54 1.78 -0.01 11.08 0.00 -1.26 -3.02 121.76 128.79 2dit s ALA 96 Ca 0.28 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.67 2dit s ALA 96 Cb -0.11 -0.21 0.10 0.00 0.00 0.00 0.00 23.12 22.91 2dit s ALA 96 CO 0.20 0.30 0.84 1.14 0.00 0.00 0.00 175.76 178.24 2dit s GLN 97 N -2.17 0.88 0.15 0.00 0.00 -1.00 -4.75 119.66 112.76 2dit s GLN 97 Ca 0.08 -0.18 -0.30 0.00 -0.00 0.00 0.00 55.36 54.97 2dit s GLN 97 Cb -0.09 0.41 -0.07 0.00 0.00 0.00 0.00 33.01 33.26 2dit s GLN 97 CO 0.05 -0.35 0.99 0.00 0.00 0.00 0.00 175.29 175.97 2dit s ALA 98 N -2.60 3.29 0.33 2.60 0.00 -1.26 -0.04 121.76 124.08 2dit s ALA 98 Ca 0.01 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2dit s ALA 98 Cb -0.01 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2dit s ALA 98 CO -0.05 -0.02 0.85 -0.46 0.00 0.00 0.00 175.76 176.07 2dit s TRP 99 N -0.31 3.50 -0.28 0.00 -0.00 0.17 -4.85 118.94 117.18 2dit s TRP 99 Ca 0.46 1.51 0.08 0.00 -0.00 0.00 0.00 56.10 58.16 2dit s TRP 99 Cb -0.25 -2.74 0.45 0.00 -0.00 0.00 0.00 33.47 30.93 2dit s TRP 99 CO 0.31 0.12 1.29 -0.25 -0.00 0.00 0.00 176.95 178.42 2dit n ASP 100 N 0.05 3.66 -4.02 5.86 8.00 -1.26 -4.77 116.55 124.07 2dit n ASP 100 Ca 0.03 -3.81 -0.34 0.00 0.71 0.00 0.00 54.79 51.37 2dit n ASP 100 Cb 0.52 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.92 -0.47 0.69 0.44 0.00 -1.26 -4.78 105.19 98.89 2dit n GLY 101 Ca 0.35 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.21 0.00 -1.48 2.61 5.66 -1.26 -5.09 114.28 110.51 2dit n THR 102 Ca -0.15 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.48 2dit n THR 102 Cb 0.50 -0.55 0.08 0.00 -1.55 0.00 0.00 70.33 68.80 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 -2.30 3.37 -2.29 1.09 5.66 -1.26 -4.94 114.28 113.61 2dit n THR 103 Ca 0.00 -0.42 -0.30 0.00 -3.05 0.00 0.00 64.05 60.27 2dit n THR 103 Cb 0.23 -1.16 0.01 0.00 -1.55 0.00 0.00 70.33 67.86 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 -1.48 5.52 0.00 1.09 9.92 -1.26 -4.75 116.55 125.59 2dit n ASP 104 Ca 0.14 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.64 2dit n ASP 104 Cb 0.49 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 2dit n ASP 104 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2dit n TYR 105 N -0.52 0.00 0.07 1.24 4.01 -1.26 -4.57 117.16 116.13 2dit n TYR 105 Ca 0.44 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.26 2dit n TYR 105 Cb 0.56 -0.29 -0.12 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.36 0.62 -1.88 -0.72 -0.00 -1.26 -4.99 117.38 107.79 2dit n GLN 106 Ca 0.00 -0.13 -0.40 0.00 -0.00 0.00 0.00 57.00 56.47 2dit n GLN 106 Cb 0.00 -1.37 0.01 0.00 -0.00 0.00 0.00 30.24 28.88 2dit n GLN 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dit s SER 107 N -3.72 6.05 -0.03 2.61 0.15 -1.26 -5.02 113.70 112.47 2dit s SER 107 Ca -0.05 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.45 2dit s SER 107 Cb 0.10 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2dit s SER 107 CO 0.67 -1.05 0.01 -0.83 1.20 0.00 0.00 173.24 173.24 2dit s GLY 108 N -0.55 0.25 0.00 9.45 0.00 -1.26 -4.88 107.32 110.33 2dit s GLY 108 Ca 0.59 0.15 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 2dit s GLY 108 CO 0.54 0.70 1.44 2.56 0.00 0.00 0.00 173.10 178.35 2dit s PRO 109 N 1.17 4.27 -0.06 2.90 0.04 -1.26 -4.94 135.00 137.12 2dit s PRO 109 Ca -0.08 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 2dit s PRO 109 Cb -0.13 -3.59 -0.22 0.00 0.04 0.00 0.00 34.50 30.59 2dit s PRO 109 CO -0.02 -0.61 1.09 1.03 0.04 0.00 0.00 177.00 178.53 2dit h SER 110 N 7.96 0.02 0.11 6.66 0.87 -2.05 -3.32 113.55 123.80 2dit h SER 110 Ca -0.38 -0.68 0.02 0.00 -1.23 0.00 0.00 61.79 59.51 2dit h SER 110 Cb 1.18 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 2dit h SER 110 CO 0.91 0.69 -0.21 0.28 -0.53 0.00 0.00 176.83 177.98 2dit h SER 111 N -0.66 -0.58 0.00 6.23 0.02 -2.08 -3.58 113.55 112.90 2dit h SER 111 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2dit h SER 111 Cb 0.69 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2dit h SER 111 CO 0.00 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.01