#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xed h PRO 3 N 0.00 1.04 -6.45 1.43 0.11 -1.97 -3.42 132.00 122.74 1xed h PRO 3 Ca 0.00 -0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.51 1xed h PRO 3 Cb 0.00 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 30.84 1xed h PRO 3 CO 0.00 0.69 -0.01 0.42 -0.21 0.00 0.00 178.00 178.89 1xed s ILE 4 N -6.11 4.75 0.02 4.15 1.01 -1.26 -4.57 121.20 119.19 1xed s ILE 4 Ca -0.13 0.96 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1xed s ILE 4 Cb 0.17 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1xed s ILE 4 CO 0.79 0.17 -0.10 0.12 0.00 0.00 0.00 174.94 175.92 1xed s PHE 5 N -1.55 0.91 0.00 3.97 5.36 -0.43 -4.83 117.98 121.41 1xed s PHE 5 Ca 0.42 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1xed s PHE 5 Cb -0.15 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 1xed s PHE 5 CO 0.20 -0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 1xed n GLY 6 N 2.19 2.31 3.58 13.12 0.00 -1.26 0.78 105.19 125.91 1xed n GLY 6 Ca -0.17 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 1xed n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xed s PRO 7 N 0.22 3.64 0.34 1.61 0.05 -1.26 -4.91 135.00 134.69 1xed s PRO 7 Ca 0.00 0.34 0.04 0.00 0.05 0.00 0.00 61.00 61.43 1xed s PRO 7 Cb 0.00 -3.89 0.66 0.00 0.05 0.00 0.00 34.50 31.31 1xed s PRO 7 CO 0.00 -1.18 1.95 1.49 0.05 0.00 0.00 177.00 179.30 1xed h GLU 8 N 8.95 0.84 -3.61 4.56 4.81 -1.94 -3.41 114.58 124.78 1xed h GLU 8 Ca -0.24 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 58.72 1xed h GLU 8 Cb 1.07 -0.19 -0.28 0.00 0.63 0.00 0.00 28.75 29.98 1xed h GLU 8 CO 1.03 0.55 -0.67 -1.21 -0.73 0.00 0.00 179.01 177.99 1xed s GLU 9 N -5.76 0.05 -0.06 1.92 2.02 -1.26 -1.50 118.70 114.10 1xed s GLU 9 Ca -0.10 0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.97 1xed s GLU 9 Cb 0.19 -0.00 0.02 0.00 0.10 0.00 0.00 34.13 34.44 1xed s GLU 9 CO 0.78 -0.02 -0.05 0.08 0.02 0.00 0.00 175.26 176.07 1xed s VAL 10 N 0.14 0.65 -0.01 2.63 1.01 0.72 -4.93 120.40 120.60 1xed s VAL 10 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1xed s VAL 10 Cb -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1xed s VAL 10 CO -0.00 0.27 -0.19 0.20 0.00 0.00 0.00 175.10 175.38 1xed s ASN 11 N 1.17 3.68 0.33 3.32 -0.87 -1.26 -0.58 114.94 120.72 1xed s ASN 11 Ca -0.07 -0.34 -0.03 0.00 -1.57 0.00 0.00 52.86 50.85 1xed s ASN 11 Cb -0.14 -0.63 -0.00 0.00 -0.02 0.00 0.00 41.25 40.46 1xed s ASN 11 CO -0.01 0.31 0.45 -0.55 -2.57 0.00 0.00 177.10 174.73 1xed s SER 12 N -0.91 0.78 0.06 -1.22 0.15 -0.14 -4.96 113.70 107.46 1xed s SER 12 Ca 0.12 -1.43 0.07 0.00 0.70 0.00 0.00 55.95 55.42 1xed s SER 12 Cb -0.10 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1xed s SER 12 CO 0.01 -1.25 -0.18 -0.69 1.20 0.00 0.00 173.24 172.33 1xed s VAL 13 N -3.22 2.81 0.01 4.45 1.01 -1.26 0.57 120.40 124.76 1xed s VAL 13 Ca 0.30 -1.26 -0.34 0.00 0.00 0.00 0.00 61.98 60.68 1xed s VAL 13 Cb -0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.05 1xed s VAL 13 CO 0.19 0.28 1.74 -0.62 0.00 0.00 0.00 175.10 176.69 1xed n GLU 14 N 1.37 2.11 0.00 2.72 1.02 -0.71 -1.28 120.64 125.87 1xed n GLU 14 Ca -0.16 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1xed n GLU 14 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1xed n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xed n GLY 15 N 3.95 2.28 3.57 0.62 0.00 0.18 -4.69 105.19 111.11 1xed n GLY 15 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1xed n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xed n ASN 16 N 0.00 -1.75 -4.31 1.61 3.02 -0.40 -4.29 115.26 109.15 1xed n ASN 16 Ca 0.00 -1.22 -0.27 0.00 -0.03 0.00 0.00 54.58 53.05 1xed n ASN 16 Cb 0.00 -1.01 -0.14 0.00 -0.61 0.00 0.00 39.78 38.02 1xed n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1xed s SER 17 N -4.69 2.84 0.03 6.41 0.01 -1.26 -1.84 113.70 115.20 1xed s SER 17 Ca 0.72 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1xed s SER 17 Cb -0.06 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 1xed s SER 17 CO 0.54 0.18 -0.07 0.54 0.41 0.00 0.00 173.24 174.84 1xed s VAL 18 N -0.89 0.52 -0.01 3.43 0.11 0.13 -4.98 120.40 118.72 1xed s VAL 18 Ca 0.10 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 1xed s VAL 18 Cb -0.10 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1xed s VAL 18 CO 0.03 -0.26 -0.22 -0.44 -3.33 0.00 0.00 175.10 170.87 1xed s SER 19 N -1.24 2.65 -0.11 3.54 0.01 -1.26 0.15 113.70 117.44 1xed s SER 19 Ca -0.07 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xed s SER 19 Cb -0.08 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1xed s SER 19 CO 0.00 0.26 -0.09 -0.63 0.41 0.00 0.00 173.24 173.19 1xed s ILE 20 N -0.58 1.12 -0.20 1.44 1.01 0.19 -4.96 121.20 119.21 1xed s ILE 20 Ca 0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1xed s ILE 20 Cb -0.09 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1xed s ILE 20 CO -0.00 0.38 -0.02 -0.89 0.00 0.00 0.00 174.94 174.41 1xed s THR 21 N 1.55 3.74 -0.05 2.92 2.01 -1.26 -0.98 115.64 123.56 1xed s THR 21 Ca 0.03 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1xed s THR 21 Cb -0.13 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1xed s THR 21 CO -0.07 0.43 -0.17 0.00 -0.69 0.00 0.00 174.62 174.13 1xed s TYR 23 N -0.55 3.13 0.04 0.00 1.51 0.23 -2.00 117.35 119.72 1xed s TYR 23 Ca 0.08 0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.22 1xed s TYR 23 Cb -0.11 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1xed s TYR 23 CO 0.01 0.48 0.08 1.52 -1.11 0.00 0.00 175.55 176.53 1xed s TYR 24 N -1.06 0.23 -0.03 2.71 -0.85 0.83 -1.31 117.35 117.87 1xed s TYR 24 Ca 0.19 -0.56 -0.36 0.00 -0.52 0.00 0.00 57.07 55.82 1xed s TYR 24 Cb -0.12 -0.16 -0.14 0.00 0.38 0.00 0.00 41.96 41.92 1xed s TYR 24 CO 0.09 -0.37 1.68 -2.30 -1.52 0.00 0.00 175.55 173.13 1xed n PRO 25 N 0.71 1.79 -0.77 -3.49 -0.02 -1.26 -4.58 135.00 127.38 1xed n PRO 25 Ca -0.19 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 1xed n PRO 25 Cb 0.59 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1xed n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xed n PRO 26 N 4.81 1.75 -4.00 0.52 -0.02 -1.26 -4.55 135.00 132.25 1xed n PRO 26 Ca 0.21 -0.99 -0.30 0.00 -2.02 0.00 0.00 63.50 60.40 1xed n PRO 26 Cb 0.24 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1xed n PRO 26 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xed s THR 27 N 2.01 4.87 0.08 3.45 -4.23 -1.26 -4.91 115.64 115.64 1xed s THR 27 Ca 0.48 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 60.15 1xed s THR 27 Cb 0.20 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1xed s THR 27 CO -0.01 0.09 1.16 -0.24 -0.54 0.00 0.00 174.62 175.08 1xed n SER 28 N 0.24 -0.55 -0.22 3.99 2.88 -1.26 -0.03 113.62 118.66 1xed n SER 28 Ca -0.07 1.29 -0.04 0.00 -1.33 0.00 0.00 58.87 58.71 1xed n SER 28 Cb 0.52 -0.30 0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1xed n SER 28 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1xed h VAL 29 N 0.00 0.18 0.21 2.46 2.07 -1.96 -0.33 116.25 118.88 1xed h VAL 29 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1xed h VAL 29 Cb 0.21 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1xed h VAL 29 CO -0.49 0.00 -0.18 0.78 0.02 0.00 0.00 177.57 177.71 1xed h ASN 30 N -0.13 -0.46 -0.86 0.57 2.35 -1.46 -0.96 115.58 114.64 1xed h ASN 30 Ca 0.25 0.04 0.22 0.00 -0.55 0.00 0.00 56.30 56.27 1xed h ASN 30 Cb 0.55 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 1xed h ASN 30 CO -0.71 -0.27 0.60 0.03 -1.65 0.00 0.00 177.43 175.43 1xed h ARG 31 N -0.40 0.18 0.00 0.81 3.08 0.11 -2.69 114.38 115.47 1xed h ARG 31 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1xed h ARG 31 Cb 0.36 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xed h ARG 31 CO -0.02 0.12 -0.61 0.72 -1.07 0.00 0.00 179.97 179.10 1xed n HIS 32 N -4.39 0.00 -2.36 3.04 8.25 -0.36 -4.86 115.22 114.53 1xed n HIS 32 Ca 0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 1xed n HIS 32 Cb 0.81 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.90 1xed n HIS 32 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xed s THR 33 N -2.21 3.78 0.21 1.59 -1.32 -0.38 -4.96 115.64 112.34 1xed s THR 33 Ca 0.05 1.01 -0.32 0.00 -1.21 0.00 0.00 61.69 61.22 1xed s THR 33 Cb 0.10 -3.43 -0.14 0.00 -1.51 0.00 0.00 72.50 67.52 1xed s THR 33 CO 0.52 -0.33 1.30 -1.14 -2.21 0.00 0.00 174.62 172.76 1xed n ARG 34 N -1.35 1.64 -4.38 7.08 0.63 -1.26 -4.63 116.66 114.39 1xed n ARG 34 Ca 0.09 0.58 -0.35 0.00 -0.92 0.00 0.00 57.85 57.26 1xed n ARG 34 Cb 0.53 -2.17 -0.10 0.00 0.45 0.00 0.00 32.46 31.17 1xed n ARG 34 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1xed s LYS 35 N -0.35 3.09 0.06 -0.14 -0.14 -1.26 0.75 119.74 121.75 1xed s LYS 35 Ca 0.71 -0.43 -0.03 0.00 -1.36 0.00 0.00 55.97 54.86 1xed s LYS 35 Cb -0.74 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 1xed s LYS 35 CO 0.50 0.63 0.04 1.52 -0.76 0.00 0.00 175.35 177.28 1xed s TYR 36 N -0.68 0.41 -0.12 3.18 -0.85 -0.34 -0.91 117.35 118.04 1xed s TYR 36 Ca 0.11 -0.92 -0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1xed s TYR 36 Cb -0.12 -0.29 0.04 0.00 0.38 0.00 0.00 41.96 41.98 1xed s TYR 36 CO 0.02 -0.43 0.00 -0.46 -1.52 0.00 0.00 175.55 173.16 1xed s TRP 37 N -3.90 0.95 0.17 -3.49 -0.11 -0.65 -1.68 118.94 110.23 1xed s TRP 37 Ca 0.06 -0.53 0.05 0.00 1.22 0.00 0.00 56.10 56.90 1xed s TRP 37 Cb 0.07 -0.96 -0.05 0.00 -1.50 0.00 0.00 33.47 31.03 1xed s TRP 37 CO -0.10 -0.47 -0.09 0.00 -4.62 0.00 0.00 176.95 171.67 1xed s ARG 39 N -3.75 3.89 -0.27 0.00 3.52 -0.43 -0.79 118.95 121.13 1xed s ARG 39 Ca 0.20 -0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 1xed s ARG 39 Cb 0.02 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1xed s ARG 39 CO 0.03 0.10 1.90 -0.65 -0.81 0.00 0.00 175.30 175.87 1xed s GLN 40 N 0.85 3.37 -0.14 5.12 -0.21 0.33 -0.72 119.66 128.26 1xed s GLN 40 Ca 0.04 1.68 -0.01 0.00 0.02 0.00 0.00 55.36 57.09 1xed s GLN 40 Cb -0.14 -4.22 0.03 0.00 1.00 0.00 0.00 33.01 29.69 1xed s GLN 40 CO 0.02 -1.81 -0.06 0.00 -2.12 0.00 0.00 175.29 171.32 1xed s ILE 47 N 1.68 5.21 0.16 0.00 1.01 0.10 -5.00 121.20 124.36 1xed s ILE 47 Ca 0.02 0.63 -0.32 0.00 0.00 0.00 0.00 60.65 60.99 1xed s ILE 47 Cb -0.14 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.51 1xed s ILE 47 CO -0.08 0.24 1.76 0.41 0.00 0.00 0.00 174.94 177.27 1xed n THR 48 N 4.50 0.16 -0.09 2.92 -1.04 -1.26 -1.31 114.28 118.16 1xed n THR 48 Ca -0.09 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 61.78 1xed n THR 48 Cb 0.51 -2.00 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 1xed n THR 48 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xed n LEU 49 N 4.66 1.46 -3.63 -4.42 4.77 0.16 -4.73 117.00 115.28 1xed n LEU 49 Ca 0.17 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1xed n LEU 49 Cb 0.35 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1xed n LEU 49 CO 0.65 0.63 0.54 -0.51 -1.33 0.00 0.00 177.39 177.37 1xed s ILE 50 N -2.42 0.00 0.21 -0.08 2.07 -1.14 -0.82 121.20 119.03 1xed s ILE 50 Ca -0.18 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 1xed s ILE 50 Cb 0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1xed s ILE 50 CO 0.59 0.00 0.06 -0.94 -1.91 0.00 0.00 174.94 172.74 1xed s SER 51 N 0.22 1.07 0.00 4.50 1.04 -0.62 -1.64 113.70 118.28 1xed s SER 51 Ca 0.00 -1.29 0.30 0.00 0.48 0.00 0.00 55.95 55.45 1xed s SER 51 Cb -0.05 0.17 1.56 0.00 0.10 0.00 0.00 66.02 67.80 1xed s SER 51 CO -0.01 -0.68 2.05 -1.54 0.98 0.00 0.00 173.24 174.05 1xed n SER 52 N -0.34 0.16 -2.27 7.02 3.41 -0.09 -3.89 113.62 117.62 1xed n SER 52 Ca -0.03 -0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 57.73 1xed n SER 52 Cb 0.65 -0.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.59 1xed n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xed n GLU 53 N -1.07 2.46 -1.00 4.33 -0.58 -1.26 -4.89 120.64 118.64 1xed n GLU 53 Ca 0.18 -3.13 -0.00 0.00 -0.42 0.00 0.00 57.16 53.78 1xed n GLU 53 Cb 0.21 -2.23 -0.00 0.00 -0.57 0.00 0.00 31.44 28.86 1xed n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xed n GLY 54 N -1.02 0.46 3.61 0.62 0.00 -1.25 -5.04 105.19 102.57 1xed n GLY 54 Ca 0.61 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1xed n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xed s TYR 55 N -1.99 3.11 -0.14 1.61 5.04 -1.26 -5.03 117.35 118.69 1xed s TYR 55 Ca 0.00 -0.00 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 1xed s TYR 55 Cb 0.00 -1.88 0.07 0.00 0.35 0.00 0.00 41.96 40.50 1xed s TYR 55 CO 0.00 0.24 0.19 0.08 -1.34 0.00 0.00 175.55 174.73 1xed s VAL 56 N -0.29 -0.29 0.81 3.14 1.01 -1.26 -1.58 120.40 121.93 1xed s VAL 56 Ca 0.06 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1xed s VAL 56 Cb -0.12 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 35.86 1xed s VAL 56 CO 0.02 -0.02 1.19 -0.94 0.00 0.00 0.00 175.10 175.36 1xed s SER 57 N 2.31 3.64 0.39 3.32 1.04 0.00 -4.65 113.70 119.75 1xed s SER 57 Ca 0.04 2.32 0.07 0.00 0.48 0.00 0.00 55.95 58.86 1xed s SER 57 Cb -0.14 -2.58 0.78 0.00 0.10 0.00 0.00 66.02 64.19 1xed s SER 57 CO -0.09 -2.63 1.98 0.77 0.98 0.00 0.00 173.24 174.25 1xed h SER 58 N -0.94 0.42 0.18 7.02 4.64 -1.96 0.36 113.55 123.28 1xed h SER 58 Ca -0.46 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 1xed h SER 58 Cb 1.29 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1xed h SER 58 CO 0.46 0.40 -0.29 0.50 -0.87 0.00 0.00 176.83 177.04 1xed h LYS 59 N 0.47 0.17 0.00 4.77 3.64 -1.94 -3.22 116.57 120.47 1xed h LYS 59 Ca 0.12 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1xed h LYS 59 Cb 0.12 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1xed h LYS 59 CO -0.01 0.45 -1.94 0.66 -2.27 0.00 0.00 179.45 176.34 1xed n TYR 60 N -4.15 0.17 -1.57 1.91 0.53 -0.76 -4.82 117.16 108.47 1xed n TYR 60 Ca -0.01 0.05 -0.60 0.00 -1.02 0.00 0.00 57.90 56.32 1xed n TYR 60 Cb 0.37 -0.70 -0.09 0.00 -1.03 0.00 0.00 39.34 37.89 1xed n TYR 60 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1xed n ALA 61 N -2.37 -0.22 0.00 -0.72 0.00 0.12 0.33 120.51 117.65 1xed n ALA 61 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xed n ALA 61 Cb 0.72 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1xed n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xed n GLY 62 N 5.28 2.82 0.66 0.00 0.00 -1.26 -4.79 105.19 107.89 1xed n GLY 62 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1xed n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xed n ARG 63 N -2.00 2.29 -3.92 1.61 1.85 0.15 -5.03 116.66 111.62 1xed n ARG 63 Ca 0.00 -1.88 -0.08 0.00 -1.00 0.00 0.00 57.85 54.89 1xed n ARG 63 Cb 0.00 -1.28 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 1xed n ARG 63 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xed s ALA 64 N -1.01 -0.77 0.05 2.89 0.00 -0.96 -0.56 121.76 121.41 1xed s ALA 64 Ca 0.23 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 1xed s ALA 64 Cb 0.13 0.95 0.03 0.00 0.00 0.00 0.00 23.12 24.23 1xed s ALA 64 CO 0.17 -0.96 0.40 1.21 0.00 0.00 0.00 175.76 176.58 1xed s ASN 65 N -2.97 -0.25 -0.05 0.00 2.47 0.53 -4.92 114.94 109.74 1xed s ASN 65 Ca 0.16 -0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.36 1xed s ASN 65 Cb -0.04 0.42 0.03 0.00 -1.45 0.00 0.00 41.25 40.21 1xed s ASN 65 CO 0.08 -0.68 0.02 -0.22 -3.72 0.00 0.00 177.10 172.58 1xed s LEU 66 N -2.12 0.50 -0.06 3.21 0.20 -1.26 -0.03 118.68 119.13 1xed s LEU 66 Ca -0.04 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.80 1xed s LEU 66 Cb -0.00 -0.30 0.00 0.00 -0.43 0.00 0.00 46.19 45.46 1xed s LEU 66 CO -0.04 -0.20 -0.18 -0.89 -0.29 0.00 0.00 176.35 174.76 1xed s THR 67 N 1.91 1.51 -0.13 3.68 2.01 0.40 -4.89 115.64 120.12 1xed s THR 67 Ca 0.03 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1xed s THR 67 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1xed s THR 67 CO -0.04 0.43 0.12 0.21 -0.69 0.00 0.00 174.62 174.66 1xed s ASN 68 N 0.26 6.21 -0.58 3.53 3.04 -1.26 -0.03 114.94 126.11 1xed s ASN 68 Ca -0.10 0.38 0.04 0.00 0.04 0.00 0.00 52.86 53.23 1xed s ASN 68 Cb -0.14 -2.01 0.17 0.00 -1.54 0.00 0.00 41.25 37.73 1xed s ASN 68 CO 0.04 0.36 0.42 -0.36 -3.04 0.00 0.00 177.10 174.52 1xed s PHE 69 N -0.75 2.55 0.23 0.43 0.40 0.20 -4.97 117.98 116.08 1xed s PHE 69 Ca 0.13 -2.91 -0.07 0.00 -0.60 0.00 0.00 56.93 53.48 1xed s PHE 69 Cb -0.12 -1.99 0.41 0.00 0.51 0.00 0.00 43.02 41.83 1xed s PHE 69 CO 0.03 -0.67 1.67 -1.35 0.70 0.00 0.00 175.22 175.60 1xed h PRO 70 N 5.57 0.19 -0.78 0.24 0.11 -1.90 -1.21 132.00 134.22 1xed h PRO 70 Ca 0.18 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.40 1xed h PRO 70 Cb 0.82 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.81 1xed h PRO 70 CO 0.57 0.12 0.38 0.93 -0.21 0.00 0.00 178.00 179.80 1xed h GLU 71 N 0.19 0.57 0.00 1.05 3.07 -1.95 -1.23 114.58 116.28 1xed h GLU 71 Ca 0.39 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.12 1xed h GLU 71 Cb 0.66 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1xed h GLU 71 CO -0.54 0.38 -0.45 -0.97 -1.40 0.00 0.00 179.01 176.03 1xed h ASN 72 N 0.59 0.00 -1.72 1.42 -0.00 -1.86 -3.48 115.58 110.52 1xed h ASN 72 Ca 0.41 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.65 1xed h ASN 72 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.87 1xed h ASN 72 CO -0.33 0.45 -0.11 0.61 -0.00 0.00 0.00 177.43 178.05 1xed n GLY 73 N 1.17 0.70 3.14 1.57 0.00 -0.47 -4.84 105.19 106.46 1xed n GLY 73 Ca 0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1xed n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xed s THR 74 N -3.02 0.18 -0.03 2.61 -4.23 -0.99 -0.12 115.64 110.05 1xed s THR 74 Ca 0.09 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.05 1xed s THR 74 Cb -0.04 -1.39 0.01 0.00 1.34 0.00 0.00 72.50 72.42 1xed s THR 74 CO 0.11 -0.82 0.13 0.72 -0.54 0.00 0.00 174.62 174.22 1xed s PHE 75 N -3.77 -0.05 -0.06 3.99 -0.71 -0.85 0.61 117.98 117.14 1xed s PHE 75 Ca 0.05 0.13 0.06 0.00 -1.04 0.00 0.00 56.93 56.13 1xed s PHE 75 Cb 0.06 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 1xed s PHE 75 CO -0.10 -0.17 -0.25 0.08 -1.34 0.00 0.00 175.22 173.44 1xed s VAL 76 N -0.60 2.04 -0.23 -2.49 1.01 0.96 -1.81 120.40 119.27 1xed s VAL 76 Ca -0.07 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1xed s VAL 76 Cb -0.04 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1xed s VAL 76 CO 0.01 0.57 0.01 -0.69 0.00 0.00 0.00 175.10 175.00 1xed s VAL 77 N -0.13 3.83 -0.17 2.92 1.01 -0.15 -0.46 120.40 127.26 1xed s VAL 77 Ca -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1xed s VAL 77 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1xed s VAL 77 CO 0.04 0.38 0.01 0.20 0.00 0.00 0.00 175.10 175.73 1xed s ASN 78 N 1.54 5.20 -0.08 3.32 0.01 0.96 -0.64 114.94 125.25 1xed s ASN 78 Ca 0.06 -0.03 0.02 0.00 -0.71 0.00 0.00 52.86 52.20 1xed s ASN 78 Cb -0.15 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.66 1xed s ASN 78 CO 0.00 0.17 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.02 1xed s ILE 79 N 0.38 1.13 0.38 0.60 1.01 0.12 -0.35 121.20 124.48 1xed s ILE 79 Ca -0.01 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1xed s ILE 79 Cb -0.13 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1xed s ILE 79 CO 0.02 0.36 0.25 0.00 0.00 0.00 0.00 174.94 175.57 1xed s ALA 80 N 0.92 3.75 -1.26 9.38 0.00 0.28 0.22 121.76 135.05 1xed s ALA 80 Ca -0.10 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 49.80 1xed s ALA 80 Cb -0.15 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1xed s ALA 80 CO 0.01 -0.09 0.60 0.94 0.00 0.00 0.00 175.76 177.22 1xed n GLN 81 N -1.33 -1.21 -1.83 0.00 -0.06 -0.94 -4.85 117.38 107.17 1xed n GLN 81 Ca -0.00 0.27 -0.42 0.00 -2.00 0.00 0.00 57.00 54.85 1xed n GLN 81 Cb 0.62 -3.56 -0.02 0.00 -4.06 0.00 0.00 30.24 23.21 1xed n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1xed s LEU 82 N -7.02 4.36 0.51 1.69 1.43 -0.77 -4.75 118.68 114.14 1xed s LEU 82 Ca 0.35 2.83 0.02 0.00 -1.03 0.00 0.00 54.13 56.30 1xed s LEU 82 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1xed s LEU 82 CO 0.92 -0.88 0.06 -0.94 0.23 0.00 0.00 176.35 175.74 1xed s SER 83 N 0.73 4.19 0.60 2.29 1.04 -1.26 -0.64 113.70 120.65 1xed s SER 83 Ca 0.66 -1.59 0.37 0.00 0.48 0.00 0.00 55.95 55.87 1xed s SER 83 Cb -0.47 0.48 1.87 0.00 0.10 0.00 0.00 66.02 68.01 1xed s SER 83 CO 0.41 -0.87 2.19 0.06 0.98 0.00 0.00 173.24 176.00 1xed h GLN 84 N 1.28 0.00 0.00 4.02 3.07 -1.95 -1.25 115.11 120.28 1xed h GLN 84 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1xed h GLN 84 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1xed h GLN 84 CO 0.72 0.03 0.00 -0.44 0.09 0.00 0.00 178.83 179.23 1xed h ASP 85 N 0.00 0.00 1.82 0.06 3.32 -1.97 -3.22 116.42 116.43 1xed h ASP 85 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xed h ASP 85 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1xed h ASP 85 CO 0.00 0.00 -0.03 0.44 -1.72 0.00 0.00 179.24 177.93 1xed h ASP 86 N 0.00 0.00 -2.98 6.45 3.32 -1.62 -3.45 116.42 118.14 1xed h ASP 86 Ca 0.00 -0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1xed h ASP 86 Cb 0.59 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.21 1xed h ASP 86 CO 0.00 0.00 0.95 -0.44 -1.72 0.00 0.00 179.24 178.03 1xed s SER 87 N -5.71 6.39 0.00 6.45 0.01 -1.22 -4.84 113.70 114.78 1xed s SER 87 Ca 0.08 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.23 1xed s SER 87 Cb 0.07 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1xed s SER 87 CO 0.65 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1xed n GLY 88 N 3.13 -1.21 3.57 3.44 0.00 0.10 -4.99 105.19 109.24 1xed n GLY 88 Ca 0.12 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1xed n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xed s ARG 89 N -1.75 3.42 0.37 1.61 0.52 -1.26 -0.41 118.95 121.44 1xed s ARG 89 Ca 0.00 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1xed s ARG 89 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1xed s ARG 89 CO 0.00 0.41 0.15 0.71 0.02 0.00 0.00 175.30 176.59 1xed s TYR 90 N -0.10 1.75 -0.06 -0.53 1.51 0.11 -0.51 117.35 119.51 1xed s TYR 90 Ca 0.03 -1.33 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 1xed s TYR 90 Cb -0.13 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1xed s TYR 90 CO 0.02 -0.40 0.20 0.15 -1.11 0.00 0.00 175.55 174.41 1xed s LYS 91 N -3.72 0.29 -0.06 -0.62 1.02 0.03 -0.57 119.74 116.12 1xed s LYS 91 Ca 0.30 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.50 1xed s LYS 91 Cb 0.04 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.47 1xed s LYS 91 CO 0.17 -0.05 -0.22 0.00 -0.92 0.00 0.00 175.35 174.33 1xed n GLY 93 N 2.80 1.17 3.40 0.00 0.00 -0.68 -0.88 105.19 111.01 1xed n GLY 93 Ca -0.17 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1xed n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xed s LEU 94 N 0.00 2.37 0.00 0.99 1.43 -0.62 -1.20 118.68 121.66 1xed s LEU 94 Ca 0.13 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1xed s LEU 94 Cb -0.04 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1xed s LEU 94 CO 0.08 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1xed n GLY 95 N 1.13 0.74 3.83 -3.19 0.00 0.23 -4.66 105.19 103.26 1xed n GLY 95 Ca -0.17 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1xed n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xed s ILE 96 N 0.00 4.65 0.20 -0.61 1.01 -1.26 -4.72 121.20 120.48 1xed s ILE 96 Ca 0.00 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.67 1xed s ILE 96 Cb 0.00 -3.79 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1xed s ILE 96 CO 0.00 0.15 1.76 0.78 0.00 0.00 0.00 174.94 177.63 1xed h ASN 97 N 3.26 0.28 -0.00 3.58 4.21 -1.96 -2.40 115.58 122.56 1xed h ASN 97 Ca -0.48 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.10 1xed h ASN 97 Cb 1.19 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1xed h ASN 97 CO 0.65 0.18 0.00 -0.24 -1.29 0.00 0.00 177.43 176.73 1xed n SER 98 N -4.96 0.01 0.20 5.81 2.88 -1.26 -3.21 113.62 113.10 1xed n SER 98 Ca 0.08 -1.95 0.10 0.00 -1.33 0.00 0.00 58.87 55.77 1xed n SER 98 Cb 0.24 -0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.86 1xed n SER 98 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1xed h ARG 99 N 0.01 0.00 0.00 -1.46 3.08 -1.79 -3.47 114.38 110.75 1xed h ARG 99 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xed h ARG 99 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xed h ARG 99 CO 0.00 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1xed n GLY 100 N 1.07 2.99 3.42 0.04 0.00 -1.20 -4.93 105.19 106.59 1xed n GLY 100 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1xed n GLY 100 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xed n LEU 101 N 0.00 2.09 0.00 0.99 7.94 -1.26 -4.71 117.00 122.05 1xed n LEU 101 Ca 0.00 -2.24 0.00 0.00 -1.11 0.00 0.00 56.01 52.66 1xed n LEU 101 Cb 0.00 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 42.91 1xed n LEU 101 CO 0.00 -1.90 0.00 -1.54 -1.11 0.00 0.00 177.39 172.84 1xed n SER 102 N 11.44 0.00 -3.74 1.96 3.41 -1.26 -1.58 113.62 123.85 1xed n SER 102 Ca 0.46 -0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 58.16 1xed n SER 102 Cb 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1xed n SER 102 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xed s PHE 103 N -3.87 -0.39 -0.02 7.33 5.36 -0.06 -4.63 117.98 121.70 1xed s PHE 103 Ca 0.00 0.91 -0.23 0.00 -0.96 0.00 0.00 56.93 56.65 1xed s PHE 103 Cb 0.00 0.12 -0.05 0.00 -0.34 0.00 0.00 43.02 42.76 1xed s PHE 103 CO 0.00 -0.23 0.68 -0.51 -1.46 0.00 0.00 175.22 173.70 1xed s ASP 104 N 0.82 7.04 -0.09 6.13 1.01 -1.26 -2.01 116.67 128.30 1xed s ASP 104 Ca -0.05 1.24 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1xed s ASP 104 Cb -0.06 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1xed s ASP 104 CO -0.06 -0.02 -0.17 -0.69 0.21 0.00 0.00 175.17 174.45 1xed s VAL 105 N 0.28 1.56 -0.26 -1.27 1.01 0.26 -4.54 120.40 117.45 1xed s VAL 105 Ca 0.36 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1xed s VAL 105 Cb -0.19 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1xed s VAL 105 CO 0.19 0.45 0.15 -0.44 0.00 0.00 0.00 175.10 175.45 1xed s SER 106 N 0.71 5.79 -0.21 3.32 0.01 -0.57 0.04 113.70 122.80 1xed s SER 106 Ca -0.12 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 1xed s SER 106 Cb -0.16 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1xed s SER 106 CO 0.03 -0.01 0.00 -0.22 0.41 0.00 0.00 173.24 173.45 1xed s LEU 107 N 1.49 3.20 -0.20 2.44 2.96 0.45 -0.20 118.68 128.81 1xed s LEU 107 Ca 0.07 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1xed s LEU 107 Cb -0.15 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1xed s LEU 107 CO 0.07 0.03 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.35 1xed s GLU 108 N 1.23 2.82 -0.75 1.98 0.41 0.25 0.00 118.70 124.64 1xed s GLU 108 Ca 0.03 -0.96 -0.15 0.00 -0.41 0.00 0.00 54.97 53.49 1xed s GLU 108 Cb -0.15 -2.69 0.19 0.00 -1.78 0.00 0.00 34.13 29.70 1xed s GLU 108 CO 0.01 -0.31 0.71 0.08 -0.49 0.00 0.00 175.26 175.27 1xed s VAL 109 N 1.25 5.43 0.29 2.63 1.01 -1.26 -0.97 120.40 128.79 1xed s VAL 109 Ca 0.01 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.58 1xed s VAL 109 Cb -0.15 -4.45 -0.11 0.00 0.00 0.00 0.00 36.38 31.67 1xed s VAL 109 CO -0.10 -1.02 1.55 -0.76 0.00 0.00 0.00 175.10 174.78 1xed s LEU 110 N 0.76 4.35 0.50 3.92 1.43 0.19 -4.65 118.68 125.19 1xed s LEU 110 Ca 0.14 2.90 -0.23 0.00 -1.03 0.00 0.00 54.13 55.91 1xed s LEU 110 Cb -0.16 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.37 1xed s LEU 110 CO -0.05 -0.87 1.34 -1.83 0.23 0.00 0.00 176.35 175.17 1xed s GLU 111 N -0.59 3.44 -0.37 1.70 -1.05 -1.26 -1.75 118.70 118.82 1xed s GLU 111 Ca 0.62 2.20 -0.22 0.00 -0.15 0.00 0.00 54.97 57.41 1xed s GLU 111 Cb -0.46 -2.42 0.01 0.00 -0.44 0.00 0.00 34.13 30.81 1xed s GLU 111 CO 0.48 -0.94 0.72 -1.58 0.95 0.00 0.00 175.26 174.90 1xed s HIS 112 N -1.31 3.12 0.63 4.83 5.65 -1.26 -4.77 115.29 122.18 1xed s HIS 112 Ca 0.66 0.42 -0.13 0.00 0.25 0.00 0.00 55.06 56.27 1xed s HIS 112 Cb -0.39 -3.32 -0.02 0.00 -1.18 0.00 0.00 32.58 27.67 1xed s HIS 112 CO 0.48 -0.72 1.05 -1.01 -0.65 0.00 0.00 174.74 173.89 1xed s HIS 113 N 2.96 3.19 1.03 3.88 0.09 -1.26 -5.04 115.29 120.13 1xed s HIS 113 Ca 0.28 1.44 -0.12 0.00 -0.00 0.00 0.00 55.06 56.66 1xed s HIS 113 Cb -0.14 -2.89 0.21 0.00 -0.00 0.00 0.00 32.58 29.77 1xed s HIS 113 CO 0.17 -1.02 1.07 -3.38 -0.00 0.00 0.00 174.74 171.58 1xed s HIS 114 N -2.84 1.75 -0.83 1.40 -3.43 -1.26 -4.98 115.29 105.11 1xed s HIS 114 Ca 0.59 1.29 0.01 0.00 -0.80 0.00 0.00 55.06 56.15 1xed s HIS 114 Cb -0.14 -3.18 0.33 0.00 -1.43 0.00 0.00 32.58 28.17 1xed s HIS 114 CO 0.47 -3.17 1.49 0.72 -2.00 0.00 0.00 174.74 172.25 1xed n HIS 115 N -4.43 3.28 -3.52 0.38 8.25 -1.26 -5.00 115.22 112.92 1xed n HIS 115 Ca 0.06 -3.08 -0.41 0.00 -0.26 0.00 0.00 57.72 54.03 1xed n HIS 115 Cb 0.54 -0.89 -0.10 0.00 1.12 0.00 0.00 29.99 30.66 1xed n HIS 115 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xed s HIS 116 N -3.97 3.23 0.00 4.41 5.04 -1.26 -5.38 115.29 117.36 1xed s HIS 116 Ca 0.44 -0.28 0.00 0.00 -1.54 0.00 0.00 55.06 53.68 1xed s HIS 116 Cb 0.25 -2.49 0.00 0.00 0.04 0.00 0.00 32.58 30.38 1xed s HIS 116 CO -0.16 -0.40 0.00 0.72 -2.34 0.00 0.00 174.74 172.56