#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 -0.20 1.14 1.61 0.15 -1.26 -5.17 113.70 109.97 2dit s SER 2 Ca 0.00 0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.56 2dit s SER 2 Cb 0.00 0.20 0.26 0.00 -1.71 0.00 0.00 66.02 64.77 2dit s SER 2 CO 0.00 -0.31 0.97 -1.20 1.20 0.00 0.00 173.24 173.90 2dit n SER 3 N -0.02 -1.47 0.00 5.45 7.64 -1.26 -4.88 113.62 119.07 2dit n SER 3 Ca -0.02 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.79 2dit n SER 3 Cb 0.59 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2dit n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dit n GLY 4 N 0.97 0.43 3.56 0.23 0.00 -1.26 -4.98 105.19 104.14 2dit n GLY 4 Ca 0.04 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 4.95 -4.57 1.61 7.64 -1.26 -4.91 113.62 117.08 2dit n SER 5 Ca 0.00 -2.92 -0.37 0.00 1.01 0.00 0.00 58.87 56.58 2dit n SER 5 Cb 0.00 -1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 61.44 2dit n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dit s SER 6 N 4.12 6.17 0.00 6.43 0.01 -1.26 -4.78 113.70 124.39 2dit s SER 6 Ca 0.53 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2dit s SER 6 Cb 0.04 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dit s SER 6 CO 0.07 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.49 2dit n GLY 7 N 6.20 0.53 0.00 3.44 0.00 -1.26 -5.11 105.19 108.99 2dit n GLY 7 Ca 0.41 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 1.27 3.77 -0.02 0.00 -1.26 -5.03 105.19 103.92 2dit n GLY 8 Ca 0.00 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 3.73 -0.39 1.61 0.04 -1.26 -5.00 135.00 133.73 2dit s PRO 9 Ca 0.00 1.76 0.12 0.00 0.04 0.00 0.00 61.00 62.92 2dit s PRO 9 Cb 0.00 -2.37 0.41 0.00 0.04 0.00 0.00 34.50 32.58 2dit s PRO 9 CO 0.00 -0.58 0.93 0.43 0.04 0.00 0.00 177.00 177.82 2dit n SER 10 N -0.56 2.38 -4.26 6.66 7.64 -1.26 -5.08 113.62 119.13 2dit n SER 10 Ca 0.08 -3.12 -0.15 0.00 1.01 0.00 0.00 58.87 56.69 2dit n SER 10 Cb 0.48 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 2dit n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dit s ARG 11 N -3.08 1.10 -0.11 1.43 3.03 -1.26 -5.15 118.95 114.90 2dit s ARG 11 Ca 0.38 -1.48 -0.05 0.00 2.03 0.00 0.00 55.73 56.61 2dit s ARG 11 Cb 0.40 -0.65 -0.04 0.00 -1.03 0.00 0.00 34.95 33.63 2dit s ARG 11 CO -0.06 0.07 0.09 0.00 -1.13 0.00 0.00 175.30 174.27 2dit s MET 12 N -3.75 3.33 -0.60 3.89 0.23 -1.26 -5.06 119.30 116.08 2dit s MET 12 Ca 0.18 -0.23 0.05 0.00 -1.03 0.00 0.00 55.69 54.66 2dit s MET 12 Cb 0.03 -3.07 0.19 0.00 -1.53 0.00 0.00 34.83 30.45 2dit s MET 12 CO 0.01 0.73 0.50 0.54 -2.03 0.00 0.00 175.02 174.78 2dit n ARG 13 N 2.12 1.45 -3.60 3.16 1.74 -1.26 -5.06 116.66 115.21 2dit n ARG 13 Ca -0.19 -4.09 -0.04 0.00 -0.77 0.00 0.00 57.85 52.75 2dit n ARG 13 Cb 0.54 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 2dit n ARG 13 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2dit s HIS 14 N -1.24 -0.16 0.18 -1.55 -3.43 -1.26 -5.14 115.29 102.69 2dit s HIS 14 Ca 0.30 0.05 -0.31 0.00 -0.80 0.00 0.00 55.06 54.30 2dit s HIS 14 Cb 0.03 0.54 -0.10 0.00 -1.43 0.00 0.00 32.58 31.62 2dit s HIS 14 CO -0.15 -0.38 1.54 -1.21 -2.00 0.00 0.00 174.74 172.55 2dit s GLU 15 N -2.69 4.22 -0.18 -0.38 8.01 -1.26 -4.91 118.70 121.51 2dit s GLU 15 Ca 0.10 2.35 0.20 0.00 0.01 0.00 0.00 54.97 57.62 2dit s GLU 15 Cb 0.00 -3.15 0.47 0.00 -4.31 0.00 0.00 34.13 27.14 2dit s GLU 15 CO -0.05 -0.57 1.16 2.89 0.01 0.00 0.00 175.26 178.69 2dit n ARG 16 N 3.68 1.50 -4.07 1.61 0.00 -1.26 -4.80 116.66 113.32 2dit n ARG 16 Ca 0.13 -3.13 -0.13 0.00 -0.00 0.00 0.00 57.85 54.71 2dit n ARG 16 Cb 0.39 -1.23 -0.11 0.00 -0.00 0.00 0.00 32.46 31.50 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 -2.70 0.56 0.07 8.89 1.01 -1.26 0.08 120.40 127.04 2dit s VAL 17 Ca 0.35 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2dit s VAL 17 Cb 0.36 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2dit s VAL 17 CO -0.07 -0.37 -0.14 0.68 0.00 0.00 0.00 175.10 175.19 2dit s VAL 18 N -1.37 1.13 0.16 2.92 -7.23 -0.76 -1.45 120.40 113.79 2dit s VAL 18 Ca -0.10 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 58.88 2dit s VAL 18 Cb -0.10 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2dit s VAL 18 CO 0.00 -0.20 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.85 2dit s ILE 19 N -1.23 3.12 0.00 -0.62 -1.09 0.44 -1.43 121.20 120.39 2dit s ILE 19 Ca -0.01 -1.59 0.04 0.00 -2.23 0.00 0.00 60.65 56.85 2dit s ILE 19 Cb -0.10 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 2dit s ILE 19 CO 0.02 -0.04 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.94 2dit s ILE 20 N -1.53 0.94 0.22 2.92 -1.09 -0.96 -2.41 121.20 119.30 2dit s ILE 20 Ca 0.23 -0.64 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 2dit s ILE 20 Cb -0.09 -0.81 -0.05 0.00 -1.58 0.00 0.00 42.46 39.93 2dit s ILE 20 CO 0.14 0.17 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.30 2dit s LYS 21 N -0.53 1.44 -1.34 2.79 3.01 -1.12 -2.95 119.74 121.04 2dit s LYS 21 Ca 0.03 -1.60 -0.03 0.00 -1.01 0.00 0.00 55.97 53.36 2dit s LYS 21 Cb -0.05 -1.42 -0.00 0.00 -1.01 0.00 0.00 37.83 35.35 2dit s LYS 21 CO 0.00 0.26 0.53 -1.71 0.51 0.00 0.00 175.35 174.94 2dit n ASN 22 N -0.26 -1.24 0.00 2.83 5.15 -0.99 -3.06 115.26 117.69 2dit n ASN 22 Ca -0.09 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2dit n ASN 22 Cb 0.59 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.55 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 -4.35 2.84 -3.91 1.20 0.00 -1.26 -4.17 117.12 107.48 2dit n MET 23 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.31 2dit n MET 23 Cb 0.67 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.90 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 -1.98 0.45 -0.08 3.17 -0.12 -1.26 -4.39 117.98 113.77 2dit s PHE 24 Ca 0.00 -0.97 -0.08 0.00 -0.05 0.00 0.00 56.93 55.83 2dit s PHE 24 Cb 0.00 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2dit s PHE 24 CO 0.00 -1.42 0.22 -1.58 -0.05 0.00 0.00 175.22 172.39 2dit s HIS 25 N -2.59 -0.24 -2.00 3.49 2.46 -1.26 -2.50 115.29 112.65 2dit s HIS 25 Ca 0.21 0.58 0.07 0.00 0.47 0.00 0.00 55.06 56.39 2dit s HIS 25 Cb -0.03 0.08 0.43 0.00 -0.13 0.00 0.00 32.58 32.93 2dit s HIS 25 CO 0.15 -0.12 0.89 -0.35 -2.47 0.00 0.00 174.74 172.83 2dit n PRO 26 N 2.93 0.49 -0.01 2.88 -0.04 -1.26 -1.99 135.00 138.01 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 -1.23 -0.15 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.73 0.59 0.09 0.54 1.56 -1.26 -4.20 117.12 113.70 2dit n MET 27 Ca 0.05 -0.17 -0.03 0.00 -0.27 0.00 0.00 57.70 57.28 2dit n MET 27 Cb 0.02 -1.45 -0.06 0.00 2.15 0.00 0.00 33.22 33.88 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 0.00 1.14 6.12 3.32 -1.76 -3.24 116.42 122.00 2dit h ASP 28 Ca -0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2dit h ASP 28 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2dit h ASP 28 CO 0.00 0.79 -0.54 -0.26 -1.72 0.00 0.00 179.24 177.52 2dit h PHE 29 N 0.00 0.00 0.00 4.55 0.04 -1.68 -2.65 116.94 117.20 2dit h PHE 29 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 2dit h PHE 29 Cb 1.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.75 2dit h PHE 29 CO 0.00 0.54 -0.35 0.93 -0.60 0.00 0.00 178.31 178.83 2dit h GLU 30 N 0.00 0.00 0.13 1.51 4.39 -1.72 -3.10 114.58 115.79 2dit h GLU 30 Ca -0.01 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2dit h GLU 30 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2dit h GLU 30 CO 0.07 0.35 -1.78 0.22 -1.16 0.00 0.00 179.01 176.71 2dit h ASP 31 N 0.00 0.43 -3.94 1.42 3.58 -1.63 -3.48 116.42 112.80 2dit h ASP 31 Ca -0.00 -0.75 -0.03 0.00 0.42 0.00 0.00 57.03 56.67 2dit h ASP 31 Cb 0.68 -0.14 -0.22 0.00 1.72 0.00 0.00 39.33 41.38 2dit h ASP 31 CO 0.05 1.65 0.18 -1.81 -2.88 0.00 0.00 179.24 176.42 2dit s ASP 32 N -7.01 -0.70 0.16 2.28 1.01 -1.01 -5.06 116.67 106.35 2dit s ASP 32 Ca -0.15 1.33 -0.09 0.00 0.71 0.00 0.00 52.55 54.35 2dit s ASP 32 Cb 0.06 1.34 0.01 0.00 1.01 0.00 0.00 42.92 45.34 2dit s ASP 32 CO 0.82 -0.25 1.50 1.55 0.21 0.00 0.00 175.17 179.00 2dit h PRO 33 N 4.78 0.86 -0.82 8.23 0.13 -1.83 -3.26 132.00 140.09 2dit h PRO 33 Ca -0.29 -0.45 0.18 0.00 -0.87 0.00 0.00 66.00 64.57 2dit h PRO 33 Cb 1.16 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 2dit h PRO 33 CO 0.08 1.10 -0.14 1.28 -0.23 0.00 0.00 178.00 180.08 2dit n LEU 34 N -4.05 -0.24 -0.25 1.56 7.99 -1.26 0.17 117.00 120.93 2dit n LEU 34 Ca -0.02 1.40 -0.09 0.00 -0.01 0.00 0.00 56.01 57.29 2dit n LEU 34 Cb 0.54 -0.45 -0.05 0.00 -0.11 0.00 0.00 43.42 43.36 2dit n LEU 34 CO 0.48 -1.36 0.55 0.58 -1.51 0.00 0.00 177.39 176.13 2dit h VAL 35 N 0.00 0.05 -0.33 4.08 2.07 -1.85 0.37 116.25 120.63 2dit h VAL 35 Ca 0.42 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.87 2dit h VAL 35 Cb 0.71 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2dit h VAL 35 CO -0.82 0.00 -0.09 0.25 0.02 0.00 0.00 177.57 176.93 2dit h LEU 36 N -0.19 0.54 0.73 2.57 5.85 -0.49 -1.67 115.31 122.65 2dit h LEU 36 Ca 0.18 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2dit h LEU 36 Cb 0.55 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.44 2dit h LEU 36 CO -0.75 0.67 -0.35 0.78 -0.34 0.00 0.00 178.44 178.45 2dit h ASN 37 N 0.52 -0.83 -0.84 1.25 2.35 0.68 0.23 115.58 118.94 2dit h ASN 37 Ca 0.10 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 2dit h ASN 37 Cb 0.47 0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 2dit h ASN 37 CO 0.03 -0.59 0.50 1.05 -1.65 0.00 0.00 177.43 176.77 2dit h GLU 38 N -1.00 0.84 0.80 0.81 4.11 -0.46 -1.06 114.58 118.62 2dit h GLU 38 Ca -0.10 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.24 2dit h GLU 38 Cb 0.75 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2dit h GLU 38 CO 0.17 0.56 -0.38 0.82 0.07 0.00 0.00 179.01 180.24 2dit h ILE 39 N 0.87 0.18 0.15 -1.06 2.04 -1.22 0.86 117.51 119.32 2dit h ILE 39 Ca 0.39 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.19 2dit h ILE 39 Cb 0.28 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 2dit h ILE 39 CO -0.21 0.01 -0.52 -0.09 0.00 0.00 0.00 178.15 177.33 2dit h ARG 40 N -1.13 -0.74 -0.82 2.37 2.43 -0.30 -0.84 114.38 115.35 2dit h ARG 40 Ca -0.11 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.25 2dit h ARG 40 Cb 0.83 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 2dit h ARG 40 CO 0.18 -0.49 0.54 1.05 -1.51 0.00 0.00 179.97 179.74 2dit h GLU 41 N -0.76 0.55 -0.74 0.20 4.11 -1.23 -0.54 114.58 116.17 2dit h GLU 41 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2dit h GLU 41 Cb 0.76 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2dit h GLU 41 CO -0.27 0.36 0.42 -0.44 0.07 0.00 0.00 179.01 179.15 2dit h ASP 42 N 0.56 0.91 0.14 3.06 5.19 0.50 0.07 116.42 126.85 2dit h ASP 42 Ca 0.41 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.67 2dit h ASP 42 Cb 0.76 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2dit h ASP 42 CO -0.16 0.72 -0.22 -0.07 -3.12 0.00 0.00 179.24 176.39 2dit h LEU 43 N 1.01 0.15 -0.07 1.55 3.38 0.12 0.30 115.31 121.76 2dit h LEU 43 Ca 0.26 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.95 2dit h LEU 43 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dit h LEU 43 CO -0.05 0.39 -1.05 0.03 0.09 0.00 0.00 178.44 177.85 2dit h ARG 44 N 0.15 0.30 0.00 1.13 3.08 -0.97 -2.52 114.38 115.55 2dit h ARG 44 Ca 0.03 -0.39 -0.13 0.00 0.07 0.00 0.00 59.98 59.56 2dit h ARG 44 Cb 0.48 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2dit h ARG 44 CO 0.03 1.12 -0.73 -0.39 -1.07 0.00 0.00 179.97 178.93 2dit h VAL 45 N 0.14 0.89 0.01 2.04 -1.51 -0.66 -3.00 116.25 114.15 2dit h VAL 45 Ca -0.09 -2.31 -0.08 0.00 -1.23 0.00 0.00 66.70 62.98 2dit h VAL 45 Cb 1.72 2.40 0.01 0.00 -2.13 0.00 0.00 31.29 33.29 2dit h VAL 45 CO 0.17 0.51 -0.34 1.05 -1.23 0.00 0.00 177.57 177.73 2dit h GLU 46 N 0.00 0.21 0.00 5.19 4.11 -0.45 -3.19 114.58 120.44 2dit h GLU 46 Ca -0.03 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2dit h GLU 46 Cb 1.46 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2dit h GLU 46 CO 0.07 0.98 0.00 0.00 0.07 0.00 0.00 179.01 180.13 2dit h SER 48 N 0.00 0.23 -1.37 0.00 4.64 -1.54 -3.21 113.55 112.30 2dit h SER 48 Ca 0.00 -0.17 0.46 0.00 -0.47 0.00 0.00 61.79 61.61 2dit h SER 48 Cb 0.44 -0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 62.33 2dit h SER 48 CO 0.00 0.92 0.89 0.11 -0.87 0.00 0.00 176.83 177.88 2dit h LYS 49 N 0.11 0.05 0.04 4.77 1.79 -1.47 0.78 116.57 122.64 2dit h LYS 49 Ca -0.03 -0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.12 2dit h LYS 49 Cb 1.37 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.97 2dit h LYS 49 CO 0.12 0.03 -1.86 1.19 -1.08 0.00 0.00 179.45 177.84 2dit n PHE 50 N -4.69 1.00 0.00 -1.35 3.72 -1.22 -5.05 117.46 109.88 2dit n PHE 50 Ca 0.39 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 2dit n PHE 50 Cb 1.51 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2dit n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dit n GLY 51 N 1.73 0.78 3.38 1.37 0.00 0.27 -5.05 105.19 107.67 2dit n GLY 51 Ca -0.23 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 2.38 1.55 -0.57 1.61 -0.21 -1.26 -4.39 119.66 118.77 2dit s GLN 52 Ca 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 55.36 53.48 2dit s GLN 52 Cb 0.00 -0.46 0.15 0.00 1.00 0.00 0.00 33.01 33.70 2dit s GLN 52 CO 0.00 -0.29 0.38 0.42 -2.12 0.00 0.00 175.29 173.68 2dit s ILE 53 N -3.55 3.71 0.36 1.08 -1.09 -1.26 -4.68 121.20 115.76 2dit s ILE 53 Ca 0.36 -2.62 0.13 0.00 -2.23 0.00 0.00 60.65 56.28 2dit s ILE 53 Cb 0.07 -3.44 0.35 0.00 -1.58 0.00 0.00 42.46 37.86 2dit s ILE 53 CO 0.15 -0.83 1.80 0.03 -1.23 0.00 0.00 174.94 174.86 2dit h ARG 54 N 7.42 0.54 -1.50 2.79 2.47 -1.86 -3.44 114.38 120.81 2dit h ARG 54 Ca -0.05 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.73 2dit h ARG 54 Cb 0.99 -0.12 -0.24 0.00 -1.65 0.00 0.00 29.97 28.95 2dit h ARG 54 CO 0.72 0.36 0.59 0.21 0.56 0.00 0.00 179.97 182.41 2dit s LYS 55 N -5.63 0.52 0.00 0.04 2.20 -1.24 -5.00 119.74 110.63 2dit s LYS 55 Ca -0.10 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2dit s LYS 55 Cb 0.24 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 2dit s LYS 55 CO 0.80 -0.15 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.36 2dit s LEU 56 N -0.99 2.05 -0.20 5.43 2.96 -1.26 -0.07 118.68 126.60 2dit s LEU 56 Ca -0.00 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2dit s LEU 56 Cb -0.01 -0.51 0.09 0.00 0.50 0.00 0.00 46.19 46.26 2dit s LEU 56 CO -0.00 0.10 0.18 -0.76 -1.32 0.00 0.00 176.35 174.54 2dit s LEU 57 N -0.41 0.06 -0.29 -0.68 1.43 0.08 -5.02 118.68 113.85 2dit s LEU 57 Ca 0.03 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 2dit s LEU 57 Cb -0.05 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.30 2dit s LEU 57 CO -0.00 -0.34 0.38 -0.22 0.23 0.00 0.00 176.35 176.40 2dit s LEU 58 N 2.26 4.15 -1.11 1.79 0.20 -1.26 -0.11 118.68 124.59 2dit s LEU 58 Ca 0.06 0.15 -0.18 0.00 0.69 0.00 0.00 54.13 54.84 2dit s LEU 58 Cb -0.16 -2.42 0.11 0.00 -0.43 0.00 0.00 46.19 43.29 2dit s LEU 58 CO -0.13 -0.24 1.42 -0.36 -0.29 0.00 0.00 176.35 176.75 2dit s PHE 59 N 2.08 3.00 0.00 5.38 0.08 -0.42 -4.85 117.98 123.25 2dit s PHE 59 Ca 0.14 -1.50 -0.02 0.00 0.12 0.00 0.00 56.93 55.68 2dit s PHE 59 Cb -0.16 -4.50 -0.08 0.00 -0.57 0.00 0.00 43.02 37.71 2dit s PHE 59 CO 0.11 -1.65 2.43 -0.40 -0.10 0.00 0.00 175.22 175.61 2dit n ASP 60 N 7.31 5.18 0.00 1.36 5.75 -1.26 -3.23 116.55 131.66 2dit n ASP 60 Ca 0.35 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 2dit n ASP 60 Cb 0.47 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 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 1.82 1.25 -2.54 0.11 5.12 -1.26 -4.76 116.66 116.40 2dit n ARG 61 Ca 0.13 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 2dit n ARG 61 Cb 0.61 -0.73 -0.03 0.00 -1.16 0.00 0.00 32.46 31.15 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 -1.47 3.30 -2.00 -1.55 2.46 -1.20 -4.86 115.29 109.97 2dit s HIS 62 Ca 0.00 1.35 0.11 0.00 0.47 0.00 0.00 55.06 56.98 2dit s HIS 62 Cb 0.00 -3.34 0.64 0.00 -0.13 0.00 0.00 32.58 29.75 2dit s HIS 62 CO 0.00 -0.93 1.08 -0.35 -2.47 0.00 0.00 174.74 172.07 2dit n PRO 63 N 5.21 0.49 -0.31 2.88 -0.04 -1.26 -2.07 135.00 139.90 2dit n PRO 63 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2dit n PRO 63 Cb 0.47 -1.34 0.22 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.84 3.35 -2.90 3.54 -0.08 -1.26 -4.83 116.55 113.52 2dit n ASP 64 Ca 0.08 -3.02 -0.02 0.00 -1.51 0.00 0.00 54.79 50.32 2dit n ASP 64 Cb 0.04 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 42.98 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 -0.81 -2.28 3.00 0.27 0.00 -0.88 -2.36 105.19 102.13 2dit n GLY 65 Ca 0.19 0.66 -0.26 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.59 1.19 0.09 1.61 1.01 -1.25 -3.05 120.40 119.40 2dit s VAL 66 Ca -0.09 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2dit s VAL 66 Cb 0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2dit s VAL 66 CO 0.36 0.38 -0.13 0.00 0.00 0.00 0.00 175.10 175.71 2dit s ALA 67 N 1.00 1.23 -0.21 5.51 0.00 -1.15 -1.30 121.76 126.84 2dit s ALA 67 Ca -0.08 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2dit s ALA 67 Cb -0.15 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.95 2dit s ALA 67 CO -0.01 0.10 -0.12 0.45 0.00 0.00 0.00 175.76 176.19 2dit s SER 68 N -2.06 3.56 -0.33 0.00 0.15 0.84 -2.26 113.70 113.59 2dit s SER 68 Ca 0.02 -0.95 -0.07 0.00 0.70 0.00 0.00 55.95 55.65 2dit s SER 68 Cb -0.07 -1.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.95 2dit s SER 68 CO 0.02 -0.13 0.10 -0.69 1.20 0.00 0.00 173.24 173.74 2dit s VAL 69 N 1.33 3.83 0.37 4.45 1.01 -0.51 -0.74 120.40 130.13 2dit s VAL 69 Ca -0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 2dit s VAL 69 Cb -0.16 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 2dit s VAL 69 CO -0.08 -0.14 0.92 -0.55 0.00 0.00 0.00 175.10 175.25 2dit s SER 70 N 1.42 7.09 0.15 3.32 0.15 0.90 -1.84 113.70 124.90 2dit s SER 70 Ca -0.01 1.70 0.07 0.00 0.70 0.00 0.00 55.95 58.41 2dit s SER 70 Cb -0.19 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 2dit s SER 70 CO 0.03 -0.21 -0.15 -0.36 1.20 0.00 0.00 173.24 173.75 2dit s PHE 71 N -1.91 1.57 -0.09 3.44 0.40 0.11 -2.98 117.98 118.53 2dit s PHE 71 Ca 0.56 -0.55 -0.17 0.00 -0.60 0.00 0.00 56.93 56.17 2dit s PHE 71 Cb -0.13 -0.79 -0.28 0.00 0.51 0.00 0.00 43.02 42.33 2dit s PHE 71 CO 0.18 0.24 0.64 -0.09 0.70 0.00 0.00 175.22 176.88 2dit h ARG 72 N 3.19 0.27 -6.35 0.44 9.65 -1.85 -3.46 114.38 116.27 2dit h ARG 72 Ca -0.40 -0.46 -0.69 0.00 -1.10 0.00 0.00 59.98 57.33 2dit h ARG 72 Cb 1.20 0.17 -0.22 0.00 -1.39 0.00 0.00 29.97 29.73 2dit h ARG 72 CO 0.54 1.22 -0.77 0.16 2.80 0.00 0.00 179.97 183.92 2dit s ASP 73 N -7.05 4.08 0.44 -3.80 -4.77 -1.26 -5.02 116.67 99.29 2dit s ASP 73 Ca -0.18 -0.22 0.23 0.00 -3.30 0.00 0.00 52.55 49.08 2dit s ASP 73 Cb 0.04 -0.85 0.97 0.00 -1.09 0.00 0.00 42.92 42.00 2dit s ASP 73 CO 0.79 0.33 1.86 1.55 0.70 0.00 0.00 175.17 180.40 2dit h PRO 74 N 5.14 0.00 -0.68 2.11 0.13 -1.90 -3.04 132.00 133.76 2dit h PRO 74 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2dit h PRO 74 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2dit h PRO 74 CO 0.50 0.25 0.19 0.93 -0.23 0.00 0.00 178.00 179.64 2dit h GLU 75 N 0.00 1.07 0.24 0.86 5.08 -1.96 -1.93 114.58 117.94 2dit h GLU 75 Ca -0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2dit h GLU 75 Cb 0.68 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dit h GLU 75 CO 0.03 0.94 -0.11 1.49 -1.00 0.00 0.00 179.01 180.36 2dit h GLU 76 N 1.01 -0.31 -0.58 2.33 4.57 -1.94 -3.03 114.58 116.63 2dit h GLU 76 Ca 0.22 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 2dit h GLU 76 Cb 0.33 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.90 2dit h GLU 76 CO -0.00 -0.20 -0.54 0.00 -1.18 0.00 0.00 179.01 177.09 2dit h ALA 77 N -1.68 -0.67 -1.43 2.92 0.00 -1.63 0.97 119.26 117.75 2dit h ALA 77 Ca -0.03 0.04 0.42 0.00 0.00 0.00 0.00 54.91 55.34 2dit h ALA 77 Cb 0.24 1.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 2dit h ALA 77 CO 0.05 -0.97 1.00 0.22 0.00 0.00 0.00 179.25 179.55 2dit h ASP 78 N -0.24 0.10 0.68 0.00 1.82 -1.47 1.45 116.42 118.76 2dit h ASP 78 Ca 0.10 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.66 2dit h ASP 78 Cb 0.50 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 2dit h ASP 78 CO -0.68 -0.03 -1.41 0.00 -1.61 0.00 0.00 179.24 175.51 2dit n TYR 79 N -4.27 0.85 0.20 0.28 9.36 0.20 -3.95 117.16 119.83 2dit n TYR 79 Ca 0.34 0.27 0.11 0.00 3.32 0.00 0.00 57.90 61.94 2dit n TYR 79 Cb 1.47 -1.00 0.14 0.00 -0.63 0.00 0.00 39.34 39.32 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 0.71 0.00 0.00 -0.00 -0.36 0.38 117.51 118.25 2dit h ILE 81 Ca -0.00 -1.81 -0.09 0.00 -0.00 0.00 0.00 64.86 62.96 2dit h ILE 81 Cb 1.04 2.20 -0.01 0.00 -0.00 0.00 0.00 36.82 40.05 2dit h ILE 81 CO 0.01 0.38 -1.30 0.00 -0.00 0.00 0.00 178.15 177.24 2dit n GLN 82 N -3.27 0.62 0.01 0.16 10.64 -1.21 -3.09 117.38 121.25 2dit n GLN 82 Ca 0.02 0.14 0.07 0.00 -1.83 0.00 0.00 57.00 55.40 2dit n GLN 82 Cb 0.63 -1.79 -0.11 0.00 -0.86 0.00 0.00 30.24 28.11 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 -2.75 0.48 1.05 -0.39 -1.04 -1.13 -4.11 114.28 106.40 2dit n THR 83 Ca -0.06 -0.58 0.11 0.00 -2.04 0.00 0.00 64.05 61.49 2dit n THR 83 Cb 0.70 -0.24 0.13 0.00 -1.82 0.00 0.00 70.33 69.10 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 -2.51 0.98 0.00 -4.42 4.77 0.12 -3.99 117.00 111.95 2dit n LEU 84 Ca -0.07 -0.31 0.08 0.00 -0.03 0.00 0.00 56.01 55.68 2dit n LEU 84 Cb 0.67 -0.11 0.45 0.00 -2.33 0.00 0.00 43.42 42.09 2dit n LEU 84 CO 0.44 0.21 0.73 -0.90 -1.33 0.00 0.00 177.39 176.54 2dit n ASP 85 N -1.11 0.00 0.00 -1.43 5.75 -1.18 -2.32 116.55 116.27 2dit n ASP 85 Ca 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2dit n ASP 85 Cb 0.36 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.10 0.75 3.64 6.12 0.00 -1.15 -4.03 105.19 110.61 2dit n GLY 86 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.56 0.62 -0.13 1.61 1.81 -0.98 -4.62 118.95 116.69 2dit s ARG 87 Ca 0.00 1.18 0.00 0.00 -1.72 0.00 0.00 55.73 55.19 2dit s ARG 87 Cb 0.00 -1.71 0.02 0.00 -0.45 0.00 0.00 34.95 32.81 2dit s ARG 87 CO 0.00 -2.78 -0.11 -1.58 -0.68 0.00 0.00 175.30 170.15 2dit s TRP 88 N -2.67 1.86 -0.03 -0.53 0.52 -1.26 0.85 118.94 117.67 2dit s TRP 88 Ca 0.66 -1.00 0.07 0.00 0.02 0.00 0.00 56.10 55.85 2dit s TRP 88 Cb -0.22 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2dit s TRP 88 CO 0.59 -0.59 -0.23 -0.06 0.02 0.00 0.00 176.95 176.68 2dit s PHE 89 N 1.57 2.19 0.00 -1.98 0.40 0.29 -4.64 117.98 115.81 2dit s PHE 89 Ca 0.05 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2dit s PHE 89 Cb -0.13 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.98 2dit s PHE 89 CO -0.09 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.13 2dit n GLY 90 N 2.72 0.15 0.00 4.36 0.00 -1.26 -1.24 105.19 109.92 2dit n GLY 90 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.15 1.90 3.73 -0.02 0.00 -1.26 -5.09 105.19 103.29 2dit n GLY 91 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 2.60 0.68 1.61 1.70 -0.37 -5.06 118.95 119.74 2dit s ARG 92 Ca 0.00 -1.17 -0.11 0.00 -0.47 0.00 0.00 55.73 53.98 2dit s ARG 92 Cb 0.00 -2.39 -0.00 0.00 -0.57 0.00 0.00 34.95 31.99 2dit s ARG 92 CO 0.00 0.41 1.05 -1.14 -1.08 0.00 0.00 175.30 174.54 2dit s GLN 93 N -3.53 3.10 0.06 3.89 0.74 -1.26 0.10 119.66 122.77 2dit s GLN 93 Ca 0.31 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.59 2dit s GLN 93 Cb -0.08 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 2dit s GLN 93 CO 0.22 -0.96 -0.05 0.96 -0.55 0.00 0.00 175.29 174.91 2dit s ILE 94 N -3.10 0.39 0.20 -2.34 -4.36 0.25 -4.65 121.20 107.59 2dit s ILE 94 Ca 0.57 -1.72 0.08 0.00 -0.26 0.00 0.00 60.65 59.32 2dit s ILE 94 Cb -0.13 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 2dit s ILE 94 CO 0.55 -0.87 -0.01 0.28 0.24 0.00 0.00 174.94 175.13 2dit s THR 95 N -3.42 3.63 0.11 8.37 -1.32 -1.17 -2.93 115.64 118.90 2dit s THR 95 Ca 0.05 -1.55 0.06 0.00 -1.21 0.00 0.00 61.69 59.04 2dit s THR 95 Cb 0.04 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 2dit s THR 95 CO -0.07 -0.17 -0.14 0.00 -2.21 0.00 0.00 174.62 172.03 2dit s ALA 96 N -1.86 1.44 0.04 11.08 0.00 -1.26 -2.77 121.76 128.44 2dit s ALA 96 Ca 0.28 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 2dit s ALA 96 Cb -0.09 -0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.03 2dit s ALA 96 CO 0.19 0.13 0.94 1.14 0.00 0.00 0.00 175.76 178.16 2dit s GLN 97 N -2.42 0.92 -0.10 0.00 0.00 -1.01 -4.73 119.66 112.32 2dit s GLN 97 Ca 0.06 -0.42 -0.19 0.00 -0.00 0.00 0.00 55.36 54.81 2dit s GLN 97 Cb -0.06 0.37 -0.04 0.00 0.00 0.00 0.00 33.01 33.28 2dit s GLN 97 CO 0.03 -0.41 0.53 0.00 0.00 0.00 0.00 175.29 175.44 2dit s ALA 98 N -3.13 3.44 0.47 2.60 0.00 -1.26 -0.42 121.76 123.46 2dit s ALA 98 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 2dit s ALA 98 Cb -0.01 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2dit s ALA 98 CO -0.05 -0.02 0.80 -0.46 0.00 0.00 0.00 175.76 176.03 2dit s TRP 99 N 0.64 3.55 0.01 0.00 -0.00 -0.53 -4.89 118.94 117.71 2dit s TRP 99 Ca 0.29 0.90 -0.00 0.00 -0.00 0.00 0.00 56.10 57.29 2dit s TRP 99 Cb -0.16 -2.37 -0.00 0.00 -0.00 0.00 0.00 33.47 30.95 2dit s TRP 99 CO 0.12 -0.27 -0.01 -3.47 -0.00 0.00 0.00 176.95 173.33 2dit n ASP 100 N -2.06 0.22 0.00 5.86 2.03 -1.26 -4.71 116.55 116.64 2dit n ASP 100 Ca 0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2dit n ASP 100 Cb 0.55 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2dit n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dit n GLY 101 N 3.21 0.00 0.00 0.27 0.00 -1.26 -5.03 105.19 102.38 2dit n GLY 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.07 114.28 114.55 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 -0.45 0.06 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.94 4.21 -1.55 1.09 5.66 -1.26 -4.93 114.28 115.56 2dit n THR 103 Ca 0.00 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.40 2dit n THR 103 Cb 0.34 -1.30 0.16 0.00 -1.55 0.00 0.00 70.33 67.98 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 -1.22 3.22 0.00 1.09 9.92 -1.26 -4.70 116.55 123.60 2dit n ASP 104 Ca 0.14 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.61 2dit n ASP 104 Cb 0.48 -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 -1.05 0.00 -0.02 1.24 4.01 -1.26 -4.27 117.16 115.81 2dit n TYR 105 Ca 0.37 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.95 2dit n TYR 105 Cb 0.99 -0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.80 0.70 -0.84 -0.72 -0.00 -1.26 -4.96 117.38 108.50 2dit n GLN 106 Ca 0.00 0.24 -0.34 0.00 -0.00 0.00 0.00 57.00 56.91 2dit n GLN 106 Cb 0.00 -1.70 0.10 0.00 -0.00 0.00 0.00 30.24 28.64 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 -3.27 -3.14 -3.78 2.61 2.88 -1.26 -5.02 113.62 102.64 2dit n SER 107 Ca -0.29 0.24 -0.24 0.00 -1.33 0.00 0.00 58.87 57.26 2dit n SER 107 Cb 1.05 -1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 2.10 3.44 3.66 0.46 0.00 -1.26 -4.91 105.19 108.68 2dit n GLY 108 Ca 0.04 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.42 4.21 -1.11 1.61 0.04 -1.26 -4.93 135.00 130.14 2dit s PRO 109 Ca 0.13 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.15 2dit s PRO 109 Cb 0.01 -3.87 0.22 0.00 0.04 0.00 0.00 34.50 30.90 2dit s PRO 109 CO 0.09 -0.77 2.14 0.45 0.04 0.00 0.00 177.00 178.94 2dit n SER 110 N 6.75 7.63 -3.60 6.66 2.88 -1.26 -4.91 113.62 127.76 2dit n SER 110 Ca 0.16 -3.43 -0.10 0.00 -1.33 0.00 0.00 58.87 54.16 2dit n SER 110 Cb 0.43 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 2dit n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dit s SER 111 N -0.49 -0.41 0.00 -3.46 0.15 -1.26 -5.37 113.70 102.87 2dit s SER 111 Ca 0.47 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2dit s SER 111 Cb 0.21 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2dit s SER 111 CO -0.14 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.85