#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d s SER 2 N 0.00 5.14 -0.24 1.61 0.01 -1.26 -5.07 113.70 113.89 1x5d s SER 2 Ca 0.00 -0.80 -0.18 0.00 1.31 0.00 0.00 55.95 56.29 1x5d s SER 2 Cb 0.00 -0.10 -0.16 0.00 0.21 0.00 0.00 66.02 65.97 1x5d s SER 2 CO 0.00 -1.01 -0.03 -1.54 0.41 0.00 0.00 173.24 171.07 1x5d n SER 3 N -1.91 1.91 0.00 2.44 3.41 -1.26 -5.06 113.62 113.15 1x5d n SER 3 Ca 0.08 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1x5d n SER 3 Cb 0.61 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1x5d n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5d n GLY 4 N 1.39 -0.10 2.33 5.00 0.00 -1.26 -4.97 105.19 107.58 1x5d n GLY 4 Ca -0.42 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1x5d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5d n SER 5 N 0.00 6.50 -0.07 1.61 3.41 -1.26 -4.66 113.62 119.14 1x5d n SER 5 Ca 0.00 -3.78 -0.14 0.00 -0.26 0.00 0.00 58.87 54.69 1x5d n SER 5 Cb 0.00 -0.74 -0.12 0.00 -0.26 0.00 0.00 64.21 63.10 1x5d n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x5d h SER 6 N 2.26 0.00 -1.95 4.04 0.02 -1.99 -3.51 113.55 112.42 1x5d h SER 6 Ca 0.50 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1x5d h SER 6 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1x5d h SER 6 CO 1.23 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 178.59 1x5d n GLY 7 N 1.59 0.57 2.21 -3.77 0.00 -1.26 -4.86 105.19 99.67 1x5d n GLY 7 Ca -0.13 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1x5d n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5d n ASP 8 N 1.85 5.37 -4.46 1.61 2.03 -1.26 -4.90 116.55 116.79 1x5d n ASP 8 Ca 0.00 -3.60 -0.43 0.00 0.52 0.00 0.00 54.79 51.28 1x5d n ASP 8 Cb 0.00 -0.89 -0.04 0.00 -0.72 0.00 0.00 41.12 39.47 1x5d n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5d s VAL 9 N -3.72 4.35 0.19 5.18 1.01 -1.26 -4.50 120.40 121.65 1x5d s VAL 9 Ca 0.57 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1x5d s VAL 9 Cb 0.46 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1x5d s VAL 9 CO 0.05 -1.40 1.01 -0.63 0.00 0.00 0.00 175.10 174.13 1x5d s ILE 10 N 4.01 4.08 -0.21 2.22 1.01 -0.76 -4.80 121.20 126.74 1x5d s ILE 10 Ca 0.23 1.90 -0.11 0.00 0.00 0.00 0.00 60.65 62.66 1x5d s ILE 10 Cb -0.16 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1x5d s ILE 10 CO 0.11 0.37 0.17 -0.70 0.00 0.00 0.00 174.94 174.90 1x5d s GLU 11 N -0.66 4.14 0.36 2.79 2.12 -1.26 0.01 118.70 126.19 1x5d s GLU 11 Ca 0.45 -0.19 0.09 0.00 0.36 0.00 0.00 54.97 55.68 1x5d s GLU 11 Cb -0.27 -3.48 -0.07 0.00 0.26 0.00 0.00 34.13 30.57 1x5d s GLU 11 CO 0.33 0.17 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.64 1x5d s LEU 12 N 0.73 2.75 0.31 2.70 1.43 -1.18 -4.96 118.68 120.47 1x5d s LEU 12 Ca 0.09 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1x5d s LEU 12 Cb -0.12 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1x5d s LEU 12 CO 0.02 -0.27 0.11 0.42 0.23 0.00 0.00 176.35 176.86 1x5d s THR 13 N -2.66 0.64 0.36 5.49 -4.23 -1.25 -4.77 115.64 109.23 1x5d s THR 13 Ca 0.33 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1x5d s THR 13 Cb 0.04 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.65 1x5d s THR 13 CO 0.17 0.00 1.69 -2.24 -0.54 0.00 0.00 174.62 173.70 1x5d h ASP 14 N 2.18 0.50 0.09 3.99 3.04 -1.98 1.25 116.42 125.49 1x5d h ASP 14 Ca -0.37 0.15 -0.37 0.00 -3.24 0.00 0.00 57.03 53.20 1x5d h ASP 14 Cb 1.25 0.09 -0.04 0.00 -1.04 0.00 0.00 39.33 39.59 1x5d h ASP 14 CO 0.60 -0.05 -2.20 -0.67 -2.04 0.00 0.00 179.24 174.87 1x5d n ASP 15 N -4.90 1.92 -0.65 4.15 -0.08 -1.26 -4.14 116.55 111.59 1x5d n ASP 15 Ca 0.30 0.07 0.02 0.00 -1.51 0.00 0.00 54.79 53.67 1x5d n ASP 15 Cb 0.97 -0.56 0.08 0.00 2.34 0.00 0.00 41.12 43.95 1x5d n ASP 15 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x5d n SER 16 N -3.34 1.66 -0.11 1.67 2.88 -0.54 -3.49 113.62 112.35 1x5d n SER 16 Ca -0.37 -2.14 -0.13 0.00 -1.33 0.00 0.00 58.87 54.90 1x5d n SER 16 Cb 1.03 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 1x5d n SER 16 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1x5d n PHE 17 N 0.08 0.00 -0.08 0.66 -0.00 0.42 -3.76 117.46 114.77 1x5d n PHE 17 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.38 1x5d n PHE 17 Cb 0.36 -0.96 -0.07 0.00 -0.00 0.00 0.00 39.48 38.82 1x5d n PHE 17 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1x5d h ASP 18 N 0.00 0.00 0.00 -2.13 5.19 -1.77 -2.58 116.42 115.13 1x5d h ASP 18 Ca -0.54 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1x5d h ASP 18 Cb 2.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.56 1x5d h ASP 18 CO -0.02 1.09 0.09 2.29 -3.12 0.00 0.00 179.24 179.57 1x5d n LYS 19 N -4.55 0.08 -0.07 3.56 -0.00 -1.23 0.69 118.16 116.64 1x5d n LYS 19 Ca -0.18 0.54 -0.07 0.00 -0.00 0.00 0.00 58.31 58.60 1x5d n LYS 19 Cb 0.45 -1.84 -0.13 0.00 -0.00 0.00 0.00 35.03 33.51 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x5d n ASN 20 N -1.90 1.01 -0.03 -5.58 3.02 -1.26 -4.26 115.26 106.26 1x5d n ASN 20 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1x5d n ASN 20 Cb 0.11 0.97 -0.01 0.00 -0.61 0.00 0.00 39.78 40.24 1x5d n ASN 20 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1x5d n VAL 21 N -2.56 0.62 -0.20 2.41 0.31 0.08 -4.03 118.33 114.96 1x5d n VAL 21 Ca -0.24 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1x5d n VAL 21 Cb 0.98 -1.82 0.11 0.00 -0.91 0.00 0.00 33.84 32.20 1x5d n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x5d h LEU 22 N -0.39 0.19 0.00 7.52 3.38 0.08 0.42 115.31 126.50 1x5d h LEU 22 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x5d h LEU 22 Cb 0.39 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1x5d h LEU 22 CO 0.00 0.11 0.00 -0.67 0.09 0.00 0.00 178.44 177.97 1x5d n ASP 23 N -5.02 0.00 -4.05 -0.43 2.03 -0.75 -4.59 116.55 103.75 1x5d n ASP 23 Ca 0.09 -1.62 -0.32 0.00 0.52 0.00 0.00 54.79 53.46 1x5d n ASP 23 Cb 0.28 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.53 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x5d s SER 24 N -1.29 4.22 0.46 1.67 0.15 0.15 -4.93 113.70 114.12 1x5d s SER 24 Ca 0.10 -1.29 0.31 0.00 0.70 0.00 0.00 55.95 55.77 1x5d s SER 24 Cb 0.04 -1.48 1.68 0.00 -1.71 0.00 0.00 66.02 64.55 1x5d s SER 24 CO 0.07 -0.18 1.95 1.05 1.20 0.00 0.00 173.24 177.33 1x5d h GLU 25 N 7.82 0.00 -7.23 5.44 4.11 -1.81 -3.43 114.58 119.48 1x5d h GLU 25 Ca -0.21 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.74 1x5d h GLU 25 Cb 1.05 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.33 1x5d h GLU 25 CO 0.47 0.00 0.38 -0.51 0.07 0.00 0.00 179.01 179.42 1x5d s ASP 26 N -4.48 6.53 0.36 3.06 1.01 -1.26 -4.62 116.67 117.27 1x5d s ASP 26 Ca -0.03 1.53 -0.27 0.00 0.71 0.00 0.00 52.55 54.49 1x5d s ASP 26 Cb 0.09 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 1x5d s ASP 26 CO 0.28 -0.65 1.17 -0.69 0.21 0.00 0.00 175.17 175.49 1x5d s VAL 27 N -2.75 3.20 -0.19 -1.27 1.01 -1.25 -4.85 120.40 114.30 1x5d s VAL 27 Ca 0.58 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1x5d s VAL 27 Cb -0.10 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1x5d s VAL 27 CO 0.37 0.16 -0.01 0.26 0.00 0.00 0.00 175.10 175.87 1x5d s TRP 28 N -1.33 1.49 -0.61 5.22 0.52 -1.21 -1.79 118.94 121.23 1x5d s TRP 28 Ca 0.53 -1.07 -0.21 0.00 0.02 0.00 0.00 56.10 55.37 1x5d s TRP 28 Cb -0.32 -1.21 0.08 0.00 -1.15 0.00 0.00 33.47 30.87 1x5d s TRP 28 CO 0.41 -0.63 0.81 -1.64 0.02 0.00 0.00 176.95 175.92 1x5d s MET 29 N 1.70 3.09 -0.16 4.98 -1.94 0.30 -3.16 119.30 124.12 1x5d s MET 29 Ca -0.01 -1.03 -0.21 0.00 -1.71 0.00 0.00 55.69 52.74 1x5d s MET 29 Cb -0.17 -4.22 -0.03 0.00 2.01 0.00 0.00 34.83 32.42 1x5d s MET 29 CO -0.07 -1.62 0.61 0.08 -0.01 0.00 0.00 175.02 174.01 1x5d s VAL 30 N 3.30 5.06 -0.26 -6.03 1.01 -0.65 -0.44 120.40 122.38 1x5d s VAL 30 Ca 0.17 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.36 1x5d s VAL 30 Cb -0.20 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.31 1x5d s VAL 30 CO 0.09 0.18 -0.08 -0.70 0.00 0.00 0.00 175.10 174.59 1x5d s GLU 31 N 1.45 2.05 0.07 2.72 2.12 -0.65 -1.20 118.70 125.26 1x5d s GLU 31 Ca 0.30 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.00 1x5d s GLU 31 Cb -0.16 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1x5d s GLU 31 CO 0.12 -0.61 1.00 -0.06 -0.54 0.00 0.00 175.26 175.17 1x5d s PHE 32 N 1.14 3.70 0.11 5.30 0.40 0.10 -1.60 117.98 127.13 1x5d s PHE 32 Ca -0.07 1.70 -0.06 0.00 -0.60 0.00 0.00 56.93 57.90 1x5d s PHE 32 Cb -0.20 -3.13 -0.02 0.00 0.51 0.00 0.00 43.02 40.18 1x5d s PHE 32 CO -0.06 -0.08 0.16 1.52 0.70 0.00 0.00 175.22 177.46 1x5d s TYR 33 N 0.47 0.41 -0.02 0.36 -0.85 0.24 -1.88 117.35 116.08 1x5d s TYR 33 Ca 0.50 -0.83 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1x5d s TYR 33 Cb -0.23 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 1x5d s TYR 33 CO 0.29 -0.56 -0.22 0.00 -1.52 0.00 0.00 175.55 173.55 1x5d s ALA 34 N -3.93 1.82 -0.96 9.51 0.00 -1.26 -3.21 121.76 123.73 1x5d s ALA 34 Ca 0.12 -0.92 0.15 0.00 0.00 0.00 0.00 51.96 51.31 1x5d s ALA 34 Cb 0.05 -0.49 0.64 0.00 0.00 0.00 0.00 23.12 23.32 1x5d s ALA 34 CO -0.06 0.42 1.48 -0.35 0.00 0.00 0.00 175.76 177.25 1x5d n PRO 35 N 2.66 0.02 -0.36 0.00 -0.04 -1.26 -2.20 135.00 133.82 1x5d n PRO 35 Ca -0.16 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1x5d n PRO 35 Cb 0.52 -1.53 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 1x5d n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5d n TRP 36 N -1.56 0.59 -4.09 0.54 4.27 -1.26 -4.96 117.44 110.97 1x5d n TRP 36 Ca 0.03 -1.03 -0.31 0.00 -3.89 0.00 0.00 57.50 52.30 1x5d n TRP 36 Cb 0.17 -0.28 -0.16 0.00 -1.36 0.00 0.00 31.31 29.68 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 7.96 0.31 0.52 0.00 0.00 -1.93 -2.28 103.07 107.66 1x5d h GLY 38 Ca -0.40 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 46.80 1x5d h GLY 38 CO 0.56 0.16 0.70 0.45 0.00 0.00 0.00 176.54 178.41 1x5d h HIS 39 N 0.16 0.00 0.00 5.60 3.86 -1.95 0.45 115.15 123.27 1x5d h HIS 39 Ca 0.06 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.99 1x5d h HIS 39 Cb 0.18 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1x5d h HIS 39 CO -0.01 0.00 -1.61 0.00 0.86 0.00 0.00 177.93 177.17 1x5d h LYS 41 N -1.00 0.25 0.00 0.00 2.10 -0.46 1.53 116.57 118.99 1x5d h LYS 41 Ca -0.43 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.07 1x5d h LYS 41 Cb 1.34 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 1x5d h LYS 41 CO -0.26 0.16 -0.64 -2.95 -2.00 0.00 0.00 179.45 173.77 1x5d h ASN 42 N 0.26 0.00 1.63 7.07 -1.07 -1.60 -2.98 115.58 118.89 1x5d h ASN 42 Ca 0.75 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.12 1x5d h ASN 42 Cb 1.89 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.14 1x5d h ASN 42 CO -0.55 0.64 -0.32 0.25 0.07 0.00 0.00 177.43 177.51 1x5d h LEU 43 N 0.00 0.00 -0.66 6.14 5.85 0.18 -3.35 115.31 123.46 1x5d h LEU 43 Ca -0.01 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1x5d h LEU 43 Cb 1.14 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.05 1x5d h LEU 43 CO 0.08 0.00 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.69 1x5d h GLU 44 N 0.00 -0.16 -0.19 1.25 4.57 -0.07 0.26 114.58 120.24 1x5d h GLU 44 Ca 0.00 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1x5d h GLU 44 Cb 0.98 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1x5d h GLU 44 CO 0.00 -0.11 -0.19 -1.00 -1.18 0.00 0.00 179.01 176.54 1x5d h PRO 45 N -0.17 0.47 -0.70 0.92 0.13 -1.75 -2.74 132.00 128.16 1x5d h PRO 45 Ca 0.21 -0.24 0.11 0.00 -0.87 0.00 0.00 66.00 65.21 1x5d h PRO 45 Cb 0.56 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.61 1x5d h PRO 45 CO -0.74 0.81 0.29 0.93 -0.23 0.00 0.00 178.00 179.06 1x5d h GLU 46 N 0.13 0.46 -0.44 0.86 3.07 -1.48 -1.05 114.58 116.14 1x5d h GLU 46 Ca 0.03 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1x5d h GLU 46 Cb 0.73 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1x5d h GLU 46 CO 0.05 0.31 0.04 2.35 -1.40 0.00 0.00 179.01 180.35 1x5d h TRP 47 N 0.48 0.80 -0.49 4.33 2.91 -0.52 -1.82 115.95 121.63 1x5d h TRP 47 Ca 0.36 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 60.32 1x5d h TRP 47 Cb 0.48 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.86 1x5d h TRP 47 CO -0.15 0.77 0.20 0.00 -1.03 0.00 0.00 178.44 178.23 1x5d h ALA 48 N 0.92 0.61 -0.24 2.65 0.00 -0.96 -1.09 119.26 121.15 1x5d h ALA 48 Ca 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x5d h ALA 48 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1x5d h ALA 48 CO 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 179.25 179.12 1x5d h ALA 49 N 1.31 0.31 -0.85 0.00 0.00 -1.13 -2.99 119.26 115.91 1x5d h ALA 49 Ca 0.23 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1x5d h ALA 49 Cb 0.21 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1x5d h ALA 49 CO -0.21 -0.02 0.49 0.00 0.00 0.00 0.00 179.25 179.51 1x5d h ALA 50 N 0.86 1.23 -0.28 0.00 0.00 -0.92 -0.58 119.26 119.57 1x5d h ALA 50 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1x5d h ALA 50 Cb 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1x5d h ALA 50 CO 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 1x5d h ALA 51 N 1.48 0.14 -0.55 0.00 0.00 -1.06 0.63 119.26 119.90 1x5d h ALA 51 Ca 0.42 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 1x5d h ALA 51 Cb 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1x5d h ALA 51 CO -0.26 -0.50 0.00 0.77 0.00 0.00 0.00 179.25 179.26 1x5d h SER 52 N -0.05 0.94 0.77 0.00 0.02 -1.33 0.14 113.55 114.05 1x5d h SER 52 Ca 0.14 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1x5d h SER 52 Cb 0.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1x5d h SER 52 CO -0.31 1.02 -0.15 -0.08 -1.14 0.00 0.00 176.83 176.17 1x5d h GLU 53 N 0.84 0.00 0.11 3.45 4.57 -0.48 -1.43 114.58 121.64 1x5d h GLU 53 Ca 0.16 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.09 1x5d h GLU 53 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1x5d h GLU 53 CO 0.03 0.15 -1.21 0.28 -1.18 0.00 0.00 179.01 177.07 1x5d h VAL 54 N 0.00 1.17 0.00 0.32 2.07 0.67 -2.93 116.25 117.55 1x5d h VAL 54 Ca -0.00 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 65.05 1x5d h VAL 54 Cb 0.57 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1x5d h VAL 54 CO 0.02 0.68 -0.21 0.07 0.02 0.00 0.00 177.57 178.15 1x5d h LYS 55 N -0.38 0.00 0.09 1.57 2.10 -0.92 0.53 116.57 119.56 1x5d h LYS 55 Ca -0.26 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.12 1x5d h LYS 55 Cb 1.68 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.00 1x5d h LYS 55 CO 0.06 0.21 -1.29 1.05 -2.00 0.00 0.00 179.45 177.49 1x5d h GLU 56 N 0.00 0.19 0.00 0.07 4.11 -1.38 1.51 114.58 119.09 1x5d h GLU 56 Ca -0.00 -0.32 -0.24 0.00 0.07 0.00 0.00 59.36 58.87 1x5d h GLU 56 Cb 0.62 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1x5d h GLU 56 CO 0.03 1.10 -1.49 1.96 0.07 0.00 0.00 179.01 180.68 1x5d h GLN 57 N 0.05 0.00 -0.58 1.06 4.20 -1.31 -3.33 115.11 115.20 1x5d h GLN 57 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1x5d h GLN 57 Cb 1.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1x5d h GLN 57 CO 0.17 0.48 0.00 0.25 -0.67 0.00 0.00 178.83 179.06 1x5d n THR 58 N -3.04 2.69 -2.00 -0.54 -2.24 0.18 -4.91 114.28 104.43 1x5d n THR 58 Ca -0.12 -1.39 -0.12 0.00 -2.27 0.00 0.00 64.05 60.14 1x5d n THR 58 Cb 0.96 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 1x5d n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5d n LYS 59 N 0.67 -1.84 -1.25 -0.78 4.01 -1.00 0.65 118.16 118.62 1x5d n LYS 59 Ca 0.28 0.64 0.00 0.00 -0.51 0.00 0.00 58.31 58.72 1x5d n LYS 59 Cb 1.18 -5.09 0.00 0.00 -0.51 0.00 0.00 35.03 30.61 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5d n GLY 60 N -0.57 0.38 0.06 0.72 0.00 0.51 -4.97 105.19 101.32 1x5d n GLY 60 Ca -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.79 1x5d n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5d h LYS 61 N 0.00 -0.02 -5.87 1.61 1.63 -0.04 -3.43 116.57 110.45 1x5d h LYS 61 Ca 0.00 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.18 1x5d h LYS 61 Cb 0.25 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.76 1x5d h LYS 61 CO 0.00 0.28 0.41 0.08 -3.45 0.00 0.00 179.45 176.78 1x5d s VAL 62 N -1.84 4.63 0.10 2.00 1.01 -1.26 -3.76 120.40 121.28 1x5d s VAL 62 Ca -0.06 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 1x5d s VAL 62 Cb -0.01 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1x5d s VAL 62 CO 0.22 -0.68 0.40 -0.54 0.00 0.00 0.00 175.10 174.49 1x5d s LYS 63 N 3.35 3.72 -0.17 2.72 1.02 -0.74 -4.30 119.74 125.34 1x5d s LYS 63 Ca 0.32 0.10 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 1x5d s LYS 63 Cb -0.12 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1x5d s LYS 63 CO 0.22 0.52 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.56 1x5d s LEU 64 N -2.16 2.71 0.29 3.17 1.02 -1.26 -0.54 118.68 121.91 1x5d s LEU 64 Ca 0.36 -0.39 0.09 0.00 0.02 0.00 0.00 54.13 54.21 1x5d s LEU 64 Cb -0.13 -1.65 -0.06 0.00 0.02 0.00 0.00 46.19 44.38 1x5d s LEU 64 CO 0.20 0.07 -0.13 0.00 0.02 0.00 0.00 176.35 176.51 1x5d s ALA 65 N 0.92 2.60 0.06 4.21 0.00 0.41 -1.83 121.76 128.12 1x5d s ALA 65 Ca -0.02 -1.91 0.07 0.00 0.00 0.00 0.00 51.96 50.10 1x5d s ALA 65 Cb -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1x5d s ALA 65 CO -0.00 0.11 -0.18 0.00 0.00 0.00 0.00 175.76 175.68 1x5d s ALA 66 N -2.73 1.55 0.02 0.00 0.00 0.10 -1.63 121.76 119.06 1x5d s ALA 66 Ca 0.29 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1x5d s ALA 66 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1x5d s ALA 66 CO 0.13 0.32 -0.05 0.08 0.00 0.00 0.00 175.76 176.25 1x5d s VAL 67 N -0.92 0.32 -0.47 0.00 1.01 -0.63 -3.09 120.40 116.62 1x5d s VAL 67 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1x5d s VAL 67 Cb -0.09 -0.35 0.09 0.00 0.00 0.00 0.00 36.38 36.04 1x5d s VAL 67 CO 0.02 -0.17 0.37 -0.62 0.00 0.00 0.00 175.10 174.71 1x5d s ASP 68 N -0.78 5.95 0.55 3.32 -1.08 -1.26 -0.59 116.67 122.77 1x5d s ASP 68 Ca -0.05 -1.56 0.20 0.00 -0.52 0.00 0.00 52.55 50.62 1x5d s ASP 68 Cb -0.05 -2.11 1.10 0.00 -1.46 0.00 0.00 42.92 40.40 1x5d s ASP 68 CO -0.00 -0.67 1.58 0.00 0.52 0.00 0.00 175.17 176.60 1x5d h ALA 69 N 8.64 1.37 -0.05 3.66 0.00 -1.79 0.54 119.26 131.62 1x5d h ALA 69 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1x5d h ALA 69 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1x5d h ALA 69 CO 0.88 -0.37 -0.59 1.79 0.00 0.00 0.00 179.25 180.95 1x5d h THR 70 N 0.00 1.39 0.00 0.00 1.35 -1.91 -3.31 112.91 110.43 1x5d h THR 70 Ca 0.00 -1.98 -0.30 0.00 -0.55 0.00 0.00 66.41 63.58 1x5d h THR 70 Cb 0.82 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 69.20 1x5d h THR 70 CO 0.00 0.58 -2.13 0.52 -0.25 0.00 0.00 175.52 174.24 1x5d n VAL 71 N -3.87 1.13 -2.91 6.82 0.31 0.16 -4.89 118.33 115.09 1x5d n VAL 71 Ca -0.02 -0.66 -0.43 0.00 -0.01 0.00 0.00 64.34 63.22 1x5d n VAL 71 Cb 0.60 -0.67 -0.05 0.00 -0.91 0.00 0.00 33.84 32.82 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1x5d s ASN 72 N -5.16 6.44 -0.16 4.52 0.01 0.48 -4.85 114.94 116.22 1x5d s ASN 72 Ca -0.11 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.03 1x5d s ASN 72 Cb 0.05 -2.41 -0.12 0.00 0.41 0.00 0.00 41.25 39.19 1x5d s ASN 72 CO 0.64 -0.98 -0.11 0.00 -1.51 0.00 0.00 177.10 175.14 1x5d n GLN 73 N 6.91 0.68 -0.32 -0.60 1.13 -1.26 -3.83 117.38 120.09 1x5d n GLN 73 Ca 0.04 0.08 0.04 0.00 -1.94 0.00 0.00 57.00 55.21 1x5d n GLN 73 Cb 0.48 -1.32 0.19 0.00 0.11 0.00 0.00 30.24 29.69 1x5d n GLN 73 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x5d h VAL 74 N 0.00 0.94 0.00 5.09 2.07 -1.96 -0.46 116.25 121.93 1x5d h VAL 74 Ca -0.36 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1x5d h VAL 74 Cb 1.60 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1x5d h VAL 74 CO -0.04 0.16 -0.11 -0.07 0.02 0.00 0.00 177.57 177.54 1x5d h LEU 75 N 0.90 0.00 -1.05 2.57 3.38 -1.91 -2.31 115.31 116.88 1x5d h LEU 75 Ca 0.43 -0.23 0.36 0.00 0.09 0.00 0.00 57.88 58.53 1x5d h LEU 75 Cb 0.36 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.96 1x5d h LEU 75 CO -0.24 0.67 0.59 0.00 0.09 0.00 0.00 178.44 179.56 1x5d h ALA 76 N -0.77 2.11 0.18 1.53 0.00 -1.65 0.38 119.26 121.05 1x5d h ALA 76 Ca -0.01 0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 1x5d h ALA 76 Cb 0.32 0.21 0.03 0.00 0.00 0.00 0.00 17.79 18.35 1x5d h ALA 76 CO -0.01 -0.78 -1.15 1.03 0.00 0.00 0.00 179.25 178.34 1x5d h SER 77 N 0.20 0.70 -0.06 0.00 0.87 -1.20 1.33 113.55 115.38 1x5d h SER 77 Ca 0.78 -0.91 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1x5d h SER 77 Cb 1.95 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 63.65 1x5d h SER 77 CO -0.63 1.55 -0.10 -0.09 -0.53 0.00 0.00 176.83 177.03 1x5d h ARG 78 N -0.05 -0.14 0.00 2.24 1.12 0.21 -3.00 114.38 114.76 1x5d h ARG 78 Ca -0.20 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.65 1x5d h ARG 78 Cb 1.89 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.88 1x5d h ARG 78 CO 0.22 -0.09 -1.38 0.66 -3.11 0.00 0.00 179.97 176.26 1x5d n TYR 79 N -5.24 0.68 -1.84 2.20 4.02 0.43 -5.00 117.16 112.41 1x5d n TYR 79 Ca -0.04 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1x5d n TYR 79 Cb 0.16 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.62 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x5d n GLY 80 N 1.25 0.69 3.60 2.72 0.00 0.33 -5.00 105.19 108.78 1x5d n GLY 80 Ca -0.04 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1x5d n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5d s ILE 81 N -2.73 3.91 0.00 -0.61 -1.09 0.37 -4.72 121.20 116.33 1x5d s ILE 81 Ca 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1x5d s ILE 81 Cb 0.00 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1x5d s ILE 81 CO 0.00 -0.72 0.00 0.54 -1.23 0.00 0.00 174.94 173.53 1x5d n ARG 82 N 8.02 1.24 -3.24 2.79 1.74 -1.26 -4.83 116.66 121.11 1x5d n ARG 82 Ca 0.17 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.79 1x5d n ARG 82 Cb 0.48 -0.72 -0.05 0.00 -1.02 0.00 0.00 32.46 31.15 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x5d s GLY 83 N -2.35 1.97 0.14 -0.13 0.00 -1.26 -5.05 107.32 100.63 1x5d s GLY 83 Ca 0.00 -2.38 0.02 0.00 0.00 0.00 0.00 44.72 42.36 1x5d s GLY 83 CO 0.00 1.33 0.26 -1.36 0.00 0.00 0.00 173.10 173.33 1x5d s PHE 84 N 2.01 3.46 0.83 1.90 0.08 -1.26 -4.07 117.98 120.93 1x5d s PHE 84 Ca 0.06 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.13 1x5d s PHE 84 Cb -0.27 -1.67 0.09 0.00 -0.57 0.00 0.00 43.02 40.60 1x5d s PHE 84 CO 0.05 0.53 1.09 -1.25 -0.10 0.00 0.00 175.22 175.54 1x5d s PRO 85 N -3.10 1.79 -0.17 0.24 0.04 -1.26 -4.93 135.00 127.60 1x5d s PRO 85 Ca 0.34 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1x5d s PRO 85 Cb -0.11 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1x5d s PRO 85 CO 0.28 -1.93 0.08 0.99 0.04 0.00 0.00 177.00 176.46 1x5d s THR 86 N -2.92 0.06 -0.27 1.26 2.01 -0.79 -4.97 115.64 110.03 1x5d s THR 86 Ca 0.62 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 1x5d s THR 86 Cb -0.18 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1x5d s THR 86 CO 0.56 -0.25 0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 1x5d s ILE 87 N 2.07 5.28 0.03 1.82 1.01 -1.26 -0.72 121.20 129.43 1x5d s ILE 87 Ca 0.01 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.87 1x5d s ILE 87 Cb -0.16 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1x5d s ILE 87 CO -0.09 0.28 -0.13 -0.54 0.00 0.00 0.00 174.94 174.46 1x5d s LYS 88 N 1.58 0.90 -0.03 2.79 -0.14 -0.34 -1.16 119.74 123.34 1x5d s LYS 88 Ca 0.07 -0.69 0.04 0.00 -1.36 0.00 0.00 55.97 54.03 1x5d s LYS 88 Cb -0.15 -0.88 -0.03 0.00 -1.68 0.00 0.00 37.83 35.09 1x5d s LYS 88 CO 0.09 0.22 -0.14 0.42 -0.76 0.00 0.00 175.35 175.18 1x5d s ILE 89 N -0.78 3.07 -0.10 2.17 1.09 -1.17 -1.64 121.20 123.84 1x5d s ILE 89 Ca 0.01 -0.80 -0.00 0.00 -1.10 0.00 0.00 60.65 58.76 1x5d s ILE 89 Cb -0.07 -2.23 0.02 0.00 -1.06 0.00 0.00 42.46 39.12 1x5d s ILE 89 CO 0.01 0.53 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.95 1x5d s PHE 90 N -0.79 1.29 0.11 3.97 0.40 -1.19 -2.09 117.98 119.68 1x5d s PHE 90 Ca 0.13 -0.59 0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1x5d s PHE 90 Cb -0.11 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1x5d s PHE 90 CO 0.02 -0.44 -0.23 -0.65 0.70 0.00 0.00 175.22 174.62 1x5d s GLN 91 N 1.60 1.23 -0.13 0.44 -0.21 -1.26 -3.35 119.66 117.98 1x5d s GLN 91 Ca 0.02 -1.20 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 1x5d s GLN 91 Cb -0.13 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.31 1x5d s GLN 91 CO -0.06 0.37 1.23 0.21 -2.12 0.00 0.00 175.29 174.91 1x5d s LYS 92 N -1.89 4.28 0.00 2.91 2.20 -1.26 -3.41 119.74 122.56 1x5d s LYS 92 Ca 0.09 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1x5d s LYS 92 Cb -0.10 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1x5d s LYS 92 CO 0.05 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1x5d n GLY 93 N 3.50 3.12 3.87 5.54 0.00 -1.26 -5.05 105.19 114.91 1x5d n GLY 93 Ca 0.13 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1x5d n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5d s GLU 94 N 0.00 2.62 0.57 1.61 1.03 -1.22 -5.12 118.70 118.19 1x5d s GLU 94 Ca 0.00 -1.43 -0.11 0.00 0.03 0.00 0.00 54.97 53.47 1x5d s GLU 94 Cb 0.00 -2.43 -0.04 0.00 -0.80 0.00 0.00 34.13 30.86 1x5d s GLU 94 CO 0.00 -0.07 0.97 -1.12 -1.33 0.00 0.00 175.26 173.71 1x5d s SER 95 N -4.08 6.29 0.24 0.83 0.01 -1.26 -4.44 113.70 111.29 1x5d s SER 95 Ca 0.45 1.34 -0.30 0.00 1.31 0.00 0.00 55.95 58.75 1x5d s SER 95 Cb -0.04 -2.43 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 1x5d s SER 95 CO 0.27 -0.77 1.27 -2.16 0.41 0.00 0.00 173.24 172.27 1x5d s PRO 96 N -4.92 4.42 0.48 12.44 0.04 -1.26 -4.69 135.00 141.51 1x5d s PRO 96 Ca 0.54 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.71 1x5d s PRO 96 Cb -0.11 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1x5d s PRO 96 CO 0.49 -0.16 0.63 0.14 0.04 0.00 0.00 177.00 178.13 1x5d s VAL 97 N -0.37 2.58 -0.29 -0.36 -7.23 -0.89 -4.96 120.40 108.87 1x5d s VAL 97 Ca 0.53 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1x5d s VAL 97 Cb -0.36 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.00 1x5d s VAL 97 CO 0.42 0.00 -0.04 1.51 -0.31 0.00 0.00 175.10 176.68 1x5d s ASP 98 N -4.45 4.70 -0.50 4.85 -4.77 -1.26 -3.07 116.67 112.17 1x5d s ASP 98 Ca 0.56 -1.41 -0.29 0.00 -3.30 0.00 0.00 52.55 48.11 1x5d s ASP 98 Cb -0.07 -1.64 0.03 0.00 -1.09 0.00 0.00 42.92 40.15 1x5d s ASP 98 CO 0.34 -0.25 1.15 -0.47 0.70 0.00 0.00 175.17 176.64 1x5d s TYR 99 N 1.16 2.77 -0.46 2.11 6.14 -0.31 -4.96 117.35 123.80 1x5d s TYR 99 Ca -0.05 0.64 0.03 0.00 0.64 0.00 0.00 57.07 58.32 1x5d s TYR 99 Cb -0.20 -4.46 0.15 0.00 0.42 0.00 0.00 41.96 37.87 1x5d s TYR 99 CO -0.03 -1.35 0.28 0.16 0.64 0.00 0.00 175.55 175.25 1x5d s ASP 100 N 2.58 3.35 0.00 4.32 -4.77 -1.26 -4.20 116.67 116.68 1x5d s ASP 100 Ca 0.47 -2.80 0.00 0.00 -3.30 0.00 0.00 52.55 46.92 1x5d s ASP 100 Cb -0.07 -0.93 0.00 0.00 -1.09 0.00 0.00 42.92 40.82 1x5d s ASP 100 CO 0.30 -0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.55 1x5d n GLY 101 N 3.30 3.59 3.50 2.12 0.00 -1.26 -5.13 105.19 111.31 1x5d n GLY 101 Ca 0.14 -0.68 -0.47 0.00 0.00 0.00 0.00 46.02 45.00 1x5d n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5d n GLY 102 N 0.00 -0.91 2.81 -0.02 0.00 -1.26 -4.87 105.19 100.94 1x5d n GLY 102 Ca 0.00 0.38 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 1x5d n GLY 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x5d n ARG 103 N 1.00 2.86 -3.82 1.61 0.63 -1.26 -4.45 116.66 113.22 1x5d n ARG 103 Ca 0.15 -3.66 -0.13 0.00 -0.92 0.00 0.00 57.85 53.29 1x5d n ARG 103 Cb 0.27 -2.27 -0.14 0.00 0.45 0.00 0.00 32.46 30.77 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5d s THR 104 N -5.13 -0.02 0.33 5.15 -4.23 -1.26 -4.94 115.64 105.54 1x5d s THR 104 Ca 0.52 0.08 0.23 0.00 -1.18 0.00 0.00 61.69 61.34 1x5d s THR 104 Cb 0.44 -0.08 0.36 0.00 1.34 0.00 0.00 72.50 74.56 1x5d s THR 104 CO -0.36 0.03 1.27 -2.11 -0.54 0.00 0.00 174.62 172.92 1x5d n ARG 105 N 3.49 -0.04 0.05 3.99 1.85 -1.25 0.31 116.66 125.06 1x5d n ARG 105 Ca -0.18 1.06 -0.14 0.00 -1.00 0.00 0.00 57.85 57.59 1x5d n ARG 105 Cb 0.56 -2.01 -0.08 0.00 -1.05 0.00 0.00 32.46 29.88 1x5d n ARG 105 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1x5d h SER 106 N 0.00 -1.44 0.19 2.89 0.02 -1.95 0.67 113.55 113.92 1x5d h SER 106 Ca 0.71 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.82 1x5d h SER 106 Cb 2.11 0.56 0.00 0.00 0.14 0.00 0.00 62.40 65.22 1x5d h SER 106 CO -0.48 -0.48 -0.09 0.44 -1.14 0.00 0.00 176.83 175.08 1x5d h ASP 107 N -0.61 -0.21 -1.00 3.07 3.32 -0.46 -2.41 116.42 118.12 1x5d h ASP 107 Ca 0.04 -0.30 0.36 0.00 0.02 0.00 0.00 57.03 57.14 1x5d h ASP 107 Cb 0.68 0.06 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 1x5d h ASP 107 CO -0.35 0.25 0.52 0.40 -1.72 0.00 0.00 179.24 178.33 1x5d h ILE 108 N -0.74 0.15 -0.03 0.35 2.04 -1.22 0.24 117.51 118.30 1x5d h ILE 108 Ca -0.03 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1x5d h ILE 108 Cb 0.51 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1x5d h ILE 108 CO 0.04 0.03 -0.11 0.58 0.00 0.00 0.00 178.15 178.69 1x5d h VAL 109 N 0.16 1.49 -0.78 1.67 2.07 -0.84 -2.96 116.25 117.04 1x5d h VAL 109 Ca 0.77 -1.60 0.19 0.00 0.82 0.00 0.00 66.70 66.88 1x5d h VAL 109 Cb 1.89 2.47 -0.13 0.00 -1.52 0.00 0.00 31.29 34.00 1x5d h VAL 109 CO -0.70 0.43 0.07 -1.28 0.02 0.00 0.00 177.57 176.12 1x5d h SER 110 N -0.47 -0.24 0.06 0.57 0.87 -0.04 -0.46 113.55 113.84 1x5d h SER 110 Ca -0.01 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1x5d h SER 110 Cb 0.76 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x5d h SER 110 CO 0.02 -0.16 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.04 1x5d h ARG 111 N 0.14 -0.08 -1.00 2.24 9.65 -1.37 -2.82 114.38 121.15 1x5d h ARG 111 Ca 0.45 0.01 0.34 0.00 -1.10 0.00 0.00 59.98 59.67 1x5d h ARG 111 Cb 0.81 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.26 1x5d h ARG 111 CO -0.65 0.10 0.56 0.00 2.80 0.00 0.00 179.97 182.78 1x5d h ALA 112 N 0.68 1.98 -0.39 2.80 0.00 -0.92 0.50 119.26 123.92 1x5d h ALA 112 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1x5d h ALA 112 Cb 0.22 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x5d h ALA 112 CO 0.01 -0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 178.50 1x5d h LEU 113 N 0.27 0.72 -1.28 0.00 3.38 -1.18 0.48 115.31 117.69 1x5d h LEU 113 Ca 0.75 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 58.57 1x5d h LEU 113 Cb 1.77 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.24 1x5d h LEU 113 CO -0.64 0.89 0.61 0.44 0.09 0.00 0.00 178.44 179.83 1x5d h ASP 114 N 0.53 0.59 0.34 -0.43 3.32 0.18 -1.09 116.42 119.86 1x5d h ASP 114 Ca 0.10 0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.89 1x5d h ASP 114 Cb 0.56 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1x5d h ASP 114 CO 0.03 0.24 -1.66 -0.07 -1.72 0.00 0.00 179.24 176.06 1x5d h LEU 115 N 0.59 0.44 0.13 1.55 3.38 -1.26 -3.35 115.31 116.79 1x5d h LEU 115 Ca 0.51 -0.67 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1x5d h LEU 115 Cb 1.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1x5d h LEU 115 CO -0.26 1.57 -0.41 0.15 0.09 0.00 0.00 178.44 179.58 1x5d h PHE 116 N 0.08 -1.15 0.00 1.13 3.57 0.28 0.18 116.94 121.02 1x5d h PHE 116 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1x5d h PHE 116 Cb 2.04 0.49 0.00 0.00 2.79 0.00 0.00 35.95 41.27 1x5d h PHE 116 CO 0.07 -0.51 0.10 0.43 -2.23 0.00 0.00 178.31 176.17 1x5d n SER 117 N -5.46 0.28 -0.04 0.41 7.64 -0.59 -1.23 113.62 114.63 1x5d n SER 117 Ca -0.07 0.58 -0.00 0.00 1.01 0.00 0.00 58.87 60.38 1x5d n SER 117 Cb 0.38 -0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1x5d n SER 117 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1x5d h ASP 118 N 0.00 0.00 0.00 6.43 1.82 -0.80 -3.44 116.42 120.43 1x5d h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1x5d h ASP 118 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 1x5d h ASP 118 CO 0.00 0.41 0.00 0.59 -1.61 0.00 0.00 179.24 178.63 1x5d n ASN 119 N -4.20 0.00 -3.49 2.28 3.02 -0.91 -4.93 115.26 107.03 1x5d n ASN 119 Ca -0.00 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.48 1x5d n ASN 119 Cb 0.01 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d n ALA 120 N -2.03 -2.61 -1.19 5.41 0.00 -0.37 -4.90 120.51 114.83 1x5d n ALA 120 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1x5d n ALA 120 Cb 0.00 -1.30 0.15 0.00 0.00 0.00 0.00 19.45 18.30 1x5d n ALA 120 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5d s PRO 121 N -0.60 1.06 0.90 0.00 0.04 -1.26 -4.65 135.00 130.49 1x5d s PRO 121 Ca 0.56 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1x5d s PRO 121 Cb -0.80 -1.79 0.13 0.00 0.04 0.00 0.00 34.50 32.08 1x5d s PRO 121 CO 0.44 -2.36 1.09 -1.25 0.04 0.00 0.00 177.00 174.96 1x5d s PRO 122 N -4.94 1.23 -0.65 0.56 0.04 -1.26 -4.92 135.00 125.07 1x5d s PRO 122 Ca 0.64 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 1x5d s PRO 122 Cb -0.18 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1x5d s PRO 122 CO 0.57 -2.25 1.88 -1.25 0.04 0.00 0.00 177.00 175.98 1x5d s PRO 123 N -4.94 2.61 -0.30 0.56 0.04 -1.26 -4.87 135.00 126.84 1x5d s PRO 123 Ca 0.63 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 1x5d s PRO 123 Cb -0.18 -4.48 0.18 0.00 0.04 0.00 0.00 34.50 30.06 1x5d s PRO 123 CO 0.57 -2.83 1.14 -2.00 0.04 0.00 0.00 177.00 173.93 1x5d s GLU 124 N 7.05 0.16 -0.04 4.56 -6.30 -1.26 -5.18 118.70 117.69 1x5d s GLU 124 Ca 0.68 0.40 -0.29 0.00 -2.50 0.00 0.00 54.97 53.26 1x5d s GLU 124 Cb -0.12 0.24 0.10 0.00 0.00 0.00 0.00 34.13 34.36 1x5d s GLU 124 CO 0.18 -0.05 0.88 -1.17 0.02 0.00 0.00 175.26 175.11 1x5d s LEU 125 N 2.25 -0.41 -0.35 2.70 2.96 -1.26 -5.13 118.68 119.43 1x5d s LEU 125 Ca -0.01 0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.86 1x5d s LEU 125 Cb -0.03 2.07 0.01 0.00 0.50 0.00 0.00 46.19 48.74 1x5d s LEU 125 CO -0.17 -0.57 0.75 -0.22 -1.32 0.00 0.00 176.35 174.82 1x5d s LEU 126 N -1.98 4.15 0.08 -0.68 0.20 -1.26 -5.01 118.68 114.17 1x5d s LEU 126 Ca 0.01 0.36 -0.31 0.00 0.69 0.00 0.00 54.13 54.89 1x5d s LEU 126 Cb -0.01 -2.98 -0.09 0.00 -0.43 0.00 0.00 46.19 42.68 1x5d s LEU 126 CO -0.04 -0.68 1.85 -0.70 -0.29 0.00 0.00 176.35 176.49 1x5d s GLU 127 N 2.98 4.15 0.12 1.98 -6.30 -1.26 -4.99 118.70 115.38 1x5d s GLU 127 Ca 0.30 2.55 0.09 0.00 -2.50 0.00 0.00 54.97 55.40 1x5d s GLU 127 Cb -0.14 -3.82 -0.04 0.00 0.00 0.00 0.00 34.13 30.14 1x5d s GLU 127 CO 0.16 -0.87 -0.21 -1.12 0.02 0.00 0.00 175.26 173.23 1x5d s SER 128 N 3.33 2.70 -0.07 -1.70 0.01 -1.26 -5.14 113.70 111.57 1x5d s SER 128 Ca 0.82 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 57.37 1x5d s SER 128 Cb -0.43 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 1x5d s SER 128 CO 0.37 0.06 -0.15 -0.83 0.41 0.00 0.00 173.24 173.10 1x5d s GLY 129 N -2.12 1.52 0.82 3.44 0.00 -1.26 -5.12 107.32 104.60 1x5d s GLY 129 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1x5d s GLY 129 CO 0.05 -0.61 1.09 2.56 0.00 0.00 0.00 173.10 176.19 1x5d s PRO 130 N -0.42 1.90 -0.00 2.90 0.04 -1.26 -5.04 135.00 133.12 1x5d s PRO 130 Ca 0.05 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.05 1x5d s PRO 130 Cb -0.12 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1x5d s PRO 130 CO 0.02 -1.86 0.29 -1.12 0.04 0.00 0.00 177.00 174.37 1x5d s SER 131 N -3.40 6.55 0.20 6.66 0.01 -1.26 -5.10 113.70 117.37 1x5d s SER 131 Ca 0.62 0.65 0.09 0.00 1.31 0.00 0.00 55.95 58.62 1x5d s SER 131 Cb -0.17 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 1x5d s SER 131 CO 0.56 0.28 -0.16 -0.55 0.41 0.00 0.00 173.24 173.78 1x5d s SER 132 N -1.49 2.77 0.00 2.44 0.15 -1.26 -5.37 113.70 110.94 1x5d s SER 132 Ca 0.26 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1x5d s SER 132 Cb -0.14 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1x5d s SER 132 CO 0.14 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.09