#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 0.34 -0.21 1.61 0.01 -1.26 -5.02 113.70 109.17 1x5d s SER 2 Ca 0.00 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1x5d s SER 2 Cb 0.00 0.78 0.05 0.00 0.21 0.00 0.00 66.02 67.06 1x5d s SER 2 CO 0.00 -1.55 -0.06 -0.55 0.41 0.00 0.00 173.24 171.49 1x5d s SER 3 N -3.13 3.50 -1.28 2.44 0.15 -1.26 -4.78 113.70 109.33 1x5d s SER 3 Ca 0.21 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 1x5d s SER 3 Cb -0.03 -1.13 0.01 0.00 -1.71 0.00 0.00 66.02 63.16 1x5d s SER 3 CO 0.15 -0.20 1.10 0.61 1.20 0.00 0.00 173.24 176.10 1x5d n GLY 4 N 4.72 -0.46 3.27 9.45 0.00 -1.26 -5.01 105.19 115.90 1x5d n GLY 4 Ca -0.13 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1x5d n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5d n SER 5 N -3.03 3.18 -3.06 1.61 2.88 -1.26 -5.04 113.62 108.89 1x5d n SER 5 Ca -0.11 -3.00 -0.35 0.00 -1.33 0.00 0.00 58.87 54.07 1x5d n SER 5 Cb 0.60 0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 64.39 1x5d n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5d n SER 6 N -1.29 7.31 0.00 -3.46 7.64 -1.26 -4.97 113.62 117.59 1x5d n SER 6 Ca -0.18 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.41 1x5d n SER 6 Cb 0.58 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 7 N 1.01 0.64 0.24 0.23 0.00 -1.26 -3.82 105.19 102.23 1x5d n GLY 7 Ca 0.55 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 45.52 1x5d n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x5d h ASP 8 N 4.39 0.00 -1.74 1.61 3.58 -1.93 -3.42 116.42 118.90 1x5d h ASP 8 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 1x5d h ASP 8 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1x5d h ASP 8 CO 0.00 0.13 1.47 0.52 -2.88 0.00 0.00 179.24 178.48 1x5d n VAL 9 N -3.26 0.31 -3.42 2.25 0.31 -1.25 -4.70 118.33 108.57 1x5d n VAL 9 Ca 0.01 -0.40 -0.37 0.00 -0.01 0.00 0.00 64.34 63.56 1x5d n VAL 9 Cb 0.39 -2.31 -0.06 0.00 -0.91 0.00 0.00 33.84 30.96 1x5d n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x5d s ILE 10 N 7.96 4.92 -0.13 2.52 1.01 -0.80 -4.24 121.20 132.44 1x5d s ILE 10 Ca 1.03 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.53 1x5d s ILE 10 Cb -0.48 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1x5d s ILE 10 CO 0.39 0.48 0.07 -0.70 0.00 0.00 0.00 174.94 175.19 1x5d s GLU 11 N -1.33 3.44 0.32 2.79 -6.30 -1.26 -1.42 118.70 114.93 1x5d s GLU 11 Ca 0.29 -0.28 0.10 0.00 -2.50 0.00 0.00 54.97 52.58 1x5d s GLU 11 Cb -0.17 -3.07 -0.06 0.00 0.00 0.00 0.00 34.13 30.83 1x5d s GLU 11 CO 0.16 0.62 -0.13 -0.51 0.02 0.00 0.00 175.26 175.42 1x5d s LEU 12 N -0.59 2.67 0.28 2.70 1.43 -1.25 -4.99 118.68 118.93 1x5d s LEU 12 Ca 0.11 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 1x5d s LEU 12 Cb -0.12 -1.01 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 1x5d s LEU 12 CO 0.02 -0.12 -0.07 -0.89 0.23 0.00 0.00 176.35 175.52 1x5d s THR 13 N -2.60 1.67 0.39 5.49 2.01 -1.24 -4.86 115.64 116.50 1x5d s THR 13 Ca 0.31 -2.14 0.24 0.00 0.31 0.00 0.00 61.69 60.42 1x5d s THR 13 Cb -0.00 -2.43 0.40 0.00 0.01 0.00 0.00 72.50 70.48 1x5d s THR 13 CO 0.16 -0.31 1.59 -2.24 -0.69 0.00 0.00 174.62 173.12 1x5d h ASP 14 N 2.29 0.31 0.00 3.53 2.03 -2.00 1.06 116.42 123.64 1x5d h ASP 14 Ca -0.40 0.22 -0.01 0.00 -0.73 0.00 0.00 57.03 56.11 1x5d h ASP 14 Cb 1.23 0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.95 1x5d h ASP 14 CO 0.67 -0.34 -1.93 -0.67 -1.03 0.00 0.00 179.24 175.94 1x5d n ASP 15 N -5.06 0.39 -1.39 4.15 2.03 -1.26 -4.25 116.55 111.16 1x5d n ASP 15 Ca 0.38 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.76 1x5d n ASP 15 Cb 1.34 1.91 0.30 0.00 -0.72 0.00 0.00 41.12 43.94 1x5d n ASP 15 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x5d n SER 16 N -2.21 4.10 -0.07 1.67 7.64 0.24 -3.81 113.62 121.18 1x5d n SER 16 Ca -0.04 -2.44 -0.14 0.00 1.01 0.00 0.00 58.87 57.26 1x5d n SER 16 Cb 0.53 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1x5d n SER 16 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1x5d n PHE 17 N 0.78 0.41 -0.10 1.43 -0.00 0.30 -3.67 117.46 116.62 1x5d n PHE 17 Ca 0.21 0.12 -0.17 0.00 -0.00 0.00 0.00 57.45 57.61 1x5d n PHE 17 Cb 0.80 -1.07 -0.08 0.00 -0.00 0.00 0.00 39.48 39.13 1x5d n PHE 17 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1x5d n ASP 18 N -3.08 1.86 0.18 -2.13 5.75 -1.26 -2.73 116.55 115.14 1x5d n ASP 18 Ca -0.33 0.48 0.09 0.00 -0.01 0.00 0.00 54.79 55.02 1x5d n ASP 18 Cb 1.07 -0.92 0.49 0.00 -1.03 0.00 0.00 41.12 40.74 1x5d n ASP 18 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1x5d h LYS 19 N -1.00 0.00 0.00 0.11 5.09 -1.82 1.02 116.57 119.97 1x5d h LYS 19 Ca -0.27 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.34 1x5d h LYS 19 Cb 1.09 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.39 1x5d h LYS 19 CO -0.16 0.00 -1.97 0.09 -2.09 0.00 0.00 179.45 175.32 1x5d n ASN 20 N -2.20 0.86 -0.04 7.07 3.02 -1.26 -4.17 115.26 118.55 1x5d n ASN 20 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 1x5d n ASN 20 Cb 0.21 1.43 -0.01 0.00 -0.61 0.00 0.00 39.78 40.80 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 -2.34 0.87 -0.05 2.41 0.31 0.86 -4.13 118.33 116.26 1x5d n VAL 21 Ca -0.14 0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1x5d n VAL 21 Cb 0.72 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.47 0.20 0.00 7.52 3.38 0.67 -0.68 115.31 125.93 1x5d h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x5d h LEU 22 Cb 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1x5d h LEU 22 CO 0.00 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.01 1x5d n ASP 23 N -4.97 0.00 -4.15 -0.43 2.03 -0.70 -4.68 116.55 103.65 1x5d n ASP 23 Ca -0.03 -1.50 -0.30 0.00 0.52 0.00 0.00 54.79 53.48 1x5d n ASP 23 Cb 0.04 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.35 2.68 -0.09 1.67 0.15 -0.26 -4.91 113.70 111.59 1x5d s SER 24 Ca 0.09 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1x5d s SER 24 Cb 0.04 -1.23 0.10 0.00 -1.71 0.00 0.00 66.02 63.22 1x5d s SER 24 CO 0.07 0.11 1.52 -0.62 1.20 0.00 0.00 173.24 175.52 1x5d n GLU 25 N 3.70 1.25 -4.35 5.44 4.71 -1.26 -4.61 120.64 125.51 1x5d n GLU 25 Ca -0.20 -0.54 -0.20 0.00 -0.01 0.00 0.00 57.16 56.21 1x5d n GLU 25 Cb 0.52 -1.21 -0.10 0.00 -1.01 0.00 0.00 31.44 29.64 1x5d n GLU 25 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1x5d s ASP 26 N 0.92 2.72 -0.16 1.62 -1.08 -1.26 -4.96 116.67 114.47 1x5d s ASP 26 Ca 0.10 -0.96 -0.28 0.00 -0.52 0.00 0.00 52.55 50.89 1x5d s ASP 26 Cb 0.09 -0.16 -0.01 0.00 -1.46 0.00 0.00 42.92 41.38 1x5d s ASP 26 CO 0.01 -0.10 0.98 -0.69 0.52 0.00 0.00 175.17 175.89 1x5d s VAL 27 N -2.59 4.77 -0.25 1.11 1.01 -1.21 -4.53 120.40 118.72 1x5d s VAL 27 Ca 0.21 1.95 -0.02 0.00 0.00 0.00 0.00 61.98 64.11 1x5d s VAL 27 Cb -0.03 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1x5d s VAL 27 CO 0.08 -0.05 -0.05 0.26 0.00 0.00 0.00 175.10 175.34 1x5d s TRP 28 N 2.42 3.05 -0.63 5.22 0.52 -1.23 -0.04 118.94 128.24 1x5d s TRP 28 Ca 0.45 -1.40 -0.19 0.00 0.02 0.00 0.00 56.10 54.97 1x5d s TRP 28 Cb -0.17 -2.08 0.11 0.00 -1.15 0.00 0.00 33.47 30.18 1x5d s TRP 28 CO 0.13 -0.69 0.76 -1.64 0.02 0.00 0.00 176.95 175.53 1x5d s MET 29 N 1.37 3.10 -0.11 4.98 -1.94 0.27 -3.02 119.30 123.94 1x5d s MET 29 Ca 0.02 -1.34 -0.27 0.00 -1.71 0.00 0.00 55.69 52.38 1x5d s MET 29 Cb -0.16 -4.31 -0.02 0.00 2.01 0.00 0.00 34.83 32.36 1x5d s MET 29 CO -0.04 -1.57 0.90 0.08 -0.01 0.00 0.00 175.02 174.37 1x5d s VAL 30 N 2.73 4.86 -0.45 -6.03 1.01 -0.72 -0.50 120.40 121.29 1x5d s VAL 30 Ca 0.14 1.81 0.03 0.00 0.00 0.00 0.00 61.98 63.96 1x5d s VAL 30 Cb -0.22 -4.21 0.12 0.00 0.00 0.00 0.00 36.38 32.07 1x5d s VAL 30 CO 0.05 0.06 0.20 -0.70 0.00 0.00 0.00 175.10 174.72 1x5d s GLU 31 N 1.81 1.62 0.15 2.72 2.12 -0.75 -1.07 118.70 125.30 1x5d s GLU 31 Ca 0.43 -2.22 -0.31 0.00 0.36 0.00 0.00 54.97 53.22 1x5d s GLU 31 Cb -0.18 -2.95 -0.10 0.00 0.26 0.00 0.00 34.13 31.16 1x5d s GLU 31 CO 0.17 -1.08 1.63 -0.06 -0.54 0.00 0.00 175.26 175.37 1x5d s PHE 32 N 0.22 2.84 0.12 5.30 0.40 0.71 -3.02 117.98 124.55 1x5d s PHE 32 Ca 0.16 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 1x5d s PHE 32 Cb -0.24 -3.98 -0.04 0.00 0.51 0.00 0.00 43.02 39.27 1x5d s PHE 32 CO -0.03 -3.75 0.04 1.52 0.70 0.00 0.00 175.22 173.71 1x5d s TYR 33 N 1.57 0.79 -0.05 0.36 -0.85 0.22 -1.92 117.35 117.48 1x5d s TYR 33 Ca 0.72 -1.20 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 1x5d s TYR 33 Cb -0.44 -0.46 -0.01 0.00 0.38 0.00 0.00 41.96 41.43 1x5d s TYR 33 CO 0.32 -0.50 -0.21 0.00 -1.52 0.00 0.00 175.55 173.64 1x5d s ALA 34 N -4.02 1.84 -0.68 9.51 0.00 -1.26 -3.11 121.76 124.04 1x5d s ALA 34 Ca 0.21 -0.88 0.20 0.00 0.00 0.00 0.00 51.96 51.49 1x5d s ALA 34 Cb 0.08 -0.57 0.84 0.00 0.00 0.00 0.00 23.12 23.47 1x5d s ALA 34 CO -0.00 0.36 1.61 -0.35 0.00 0.00 0.00 175.76 177.38 1x5d n PRO 35 N 2.97 0.12 -0.16 0.00 -0.04 -1.26 -2.17 135.00 134.47 1x5d n PRO 35 Ca -0.17 0.36 0.05 0.00 -0.04 0.00 0.00 63.50 63.70 1x5d n PRO 35 Cb 0.52 -1.73 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.96 0.34 -3.78 0.54 4.27 -1.26 -4.93 117.44 110.66 1x5d n TRP 36 Ca 0.03 -0.64 -0.37 0.00 -3.89 0.00 0.00 57.50 52.63 1x5d n TRP 36 Cb 0.20 -0.10 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 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 8.16 0.80 -0.88 0.00 0.00 -1.92 0.43 103.07 109.67 1x5d h GLY 38 Ca -0.22 0.20 0.18 0.00 0.00 0.00 0.00 47.33 47.49 1x5d h GLY 38 CO 0.61 -0.35 -0.26 0.45 0.00 0.00 0.00 176.54 176.99 1x5d h HIS 39 N 0.04 -0.59 0.30 5.60 3.86 -1.94 0.63 115.15 123.05 1x5d h HIS 39 Ca 0.44 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 1x5d h HIS 39 Cb 0.77 0.40 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1x5d h HIS 39 CO -0.55 -0.40 -0.30 0.00 0.86 0.00 0.00 177.93 177.53 1x5d h LYS 41 N -0.63 0.03 0.00 0.00 6.56 -0.79 2.13 116.57 123.87 1x5d h LYS 41 Ca -0.01 -0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.44 1x5d h LYS 41 Cb 0.58 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1x5d h LYS 41 CO -0.06 0.02 -0.65 -0.91 -2.06 0.00 0.00 179.45 175.78 1x5d h ASN 42 N 0.03 0.00 1.74 0.86 2.35 -0.96 -3.08 115.58 116.52 1x5d h ASN 42 Ca 0.71 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.42 1x5d h ASN 42 Cb 1.69 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 1x5d h ASN 42 CO -0.83 0.65 -0.26 0.25 -1.65 0.00 0.00 177.43 175.60 1x5d h LEU 43 N 0.00 0.00 -0.42 1.61 5.85 0.42 -3.31 115.31 119.47 1x5d h LEU 43 Ca -0.01 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1x5d h LEU 43 Cb 1.27 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 1x5d h LEU 43 CO 0.09 0.22 -0.54 -0.08 -0.34 0.00 0.00 178.44 177.78 1x5d h GLU 44 N 0.00 -0.37 -0.04 1.25 4.81 0.59 0.45 114.58 121.28 1x5d h GLU 44 Ca -0.00 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 1x5d h GLU 44 Cb 1.17 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1x5d h GLU 44 CO 0.03 -0.25 -0.48 -1.00 -0.73 0.00 0.00 179.01 176.58 1x5d h PRO 45 N -0.38 0.09 0.00 0.92 0.13 -1.75 -0.96 132.00 130.05 1x5d h PRO 45 Ca 0.08 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.09 1x5d h PRO 45 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1x5d h PRO 45 CO -0.60 0.56 -0.37 0.93 -0.23 0.00 0.00 178.00 178.28 1x5d h GLU 46 N 0.08 0.00 0.12 0.86 4.39 -1.29 -2.45 114.58 116.29 1x5d h GLU 46 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1x5d h GLU 46 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1x5d h GLU 46 CO 0.07 0.37 -1.88 2.35 -1.16 0.00 0.00 179.01 178.75 1x5d h TRP 47 N 0.00 0.48 -0.37 4.33 2.91 0.06 -3.10 115.95 120.26 1x5d h TRP 47 Ca -0.00 -0.35 0.04 0.00 1.13 0.00 0.00 58.89 59.71 1x5d h TRP 47 Cb 0.73 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.32 1x5d h TRP 47 CO 0.00 1.74 0.13 0.00 -1.03 0.00 0.00 178.44 179.28 1x5d h ALA 48 N 0.03 0.43 -0.20 2.65 0.00 -1.16 -1.03 119.26 119.97 1x5d h ALA 48 Ca -0.40 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1x5d h ALA 48 Cb 1.98 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1x5d h ALA 48 CO 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.06 1x5d h ALA 49 N 1.23 0.28 -0.67 0.00 0.00 -1.62 -3.10 119.26 115.38 1x5d h ALA 49 Ca 0.17 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1x5d h ALA 49 Cb 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1x5d h ALA 49 CO -0.17 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.35 1x5d h ALA 50 N 0.78 0.90 -0.67 0.00 0.00 -1.47 -0.25 119.26 118.55 1x5d h ALA 50 Ca 0.06 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1x5d h ALA 50 Cb 0.41 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1x5d h ALA 50 CO 0.01 -0.17 0.26 0.00 0.00 0.00 0.00 179.25 179.35 1x5d h ALA 51 N 1.46 0.89 -0.15 0.00 0.00 -1.12 0.73 119.26 121.07 1x5d h ALA 51 Ca 0.35 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1x5d h ALA 51 Cb 0.45 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1x5d h ALA 51 CO -0.33 -0.18 -0.50 0.77 0.00 0.00 0.00 179.25 179.00 1x5d h SER 52 N 0.43 0.44 1.25 0.00 0.02 -1.21 -0.44 113.55 114.05 1x5d h SER 52 Ca 0.34 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1x5d h SER 52 Cb 0.46 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1x5d h SER 52 CO -0.34 0.87 -0.37 -0.08 -1.14 0.00 0.00 176.83 175.78 1x5d h GLU 53 N 0.32 0.00 0.17 3.45 4.57 0.34 -2.09 114.58 121.34 1x5d h GLU 53 Ca 0.01 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.85 1x5d h GLU 53 Cb 1.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1x5d h GLU 53 CO 0.09 0.37 -1.69 0.28 -1.18 0.00 0.00 179.01 176.87 1x5d h VAL 54 N 0.00 0.99 -0.02 0.32 2.07 0.62 -3.06 116.25 117.18 1x5d h VAL 54 Ca -0.00 -2.59 -0.14 0.00 0.82 0.00 0.00 66.70 64.78 1x5d h VAL 54 Cb 1.09 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.61 1x5d h VAL 54 CO 0.05 0.84 -0.66 0.07 0.02 0.00 0.00 177.57 177.89 1x5d h LYS 55 N 0.10 0.07 0.00 1.57 2.10 -1.12 0.29 116.57 119.58 1x5d h LYS 55 Ca -0.32 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.12 1x5d h LYS 55 Cb 2.08 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.40 1x5d h LYS 55 CO 0.18 0.70 -0.76 1.05 -2.00 0.00 0.00 179.45 178.62 1x5d h GLU 56 N 0.05 0.00 0.11 0.07 4.11 -1.50 0.86 114.58 118.27 1x5d h GLU 56 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.08 1x5d h GLU 56 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1x5d h GLU 56 CO 0.09 0.76 -1.82 1.96 0.07 0.00 0.00 179.01 180.07 1x5d h GLN 57 N 0.00 0.23 -0.92 1.06 4.20 -1.44 -3.35 115.11 114.90 1x5d h GLN 57 Ca -0.01 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1x5d h GLN 57 Cb 1.38 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 1x5d h GLN 57 CO 0.10 1.19 0.02 0.25 -0.67 0.00 0.00 178.83 179.72 1x5d n THR 58 N -3.68 0.70 -2.39 -0.54 -2.24 0.10 -4.83 114.28 101.40 1x5d n THR 58 Ca -0.31 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.08 1x5d n THR 58 Cb 0.98 -0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.14 -2.41 -1.92 -0.78 4.76 -1.07 0.97 118.16 117.84 1x5d n LYS 59 Ca 0.07 0.40 -0.02 0.00 -2.87 0.00 0.00 58.31 55.89 1x5d n LYS 59 Cb 0.49 -4.94 -0.00 0.00 -1.84 0.00 0.00 35.03 28.74 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5d n GLY 60 N -0.67 0.32 0.13 0.72 0.00 0.30 -4.96 105.19 101.02 1x5d n GLY 60 Ca -0.10 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 1x5d n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5d n LYS 61 N -1.40 0.66 -3.36 1.61 3.00 0.27 -4.83 118.16 114.12 1x5d n LYS 61 Ca -0.02 0.36 -0.41 0.00 -0.00 0.00 0.00 58.31 58.23 1x5d n LYS 61 Cb 0.46 -1.68 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 1x5d n LYS 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1x5d s VAL 62 N -2.48 5.13 0.08 3.15 1.01 -1.26 -3.33 120.40 122.70 1x5d s VAL 62 Ca -0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1x5d s VAL 62 Cb 0.08 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1x5d s VAL 62 CO 0.66 -0.21 0.28 -0.54 0.00 0.00 0.00 175.10 175.29 1x5d s LYS 63 N 2.10 3.53 -0.20 2.72 1.02 0.94 -4.20 119.74 125.65 1x5d s LYS 63 Ca 0.13 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1x5d s LYS 63 Cb -0.17 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1x5d s LYS 63 CO 0.12 0.56 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.46 1x5d s LEU 64 N -2.42 2.47 0.34 3.17 1.02 -1.26 -0.57 118.68 121.43 1x5d s LEU 64 Ca 0.36 -0.61 0.09 0.00 0.02 0.00 0.00 54.13 53.99 1x5d s LEU 64 Cb -0.13 -1.57 -0.06 0.00 0.02 0.00 0.00 46.19 44.46 1x5d s LEU 64 CO 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 176.35 176.57 1x5d s ALA 65 N 1.34 3.13 0.06 4.21 0.00 0.34 -1.90 121.76 128.93 1x5d s ALA 65 Ca 0.04 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.04 1x5d s ALA 65 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1x5d s ALA 65 CO -0.09 0.07 -0.11 0.00 0.00 0.00 0.00 175.76 175.63 1x5d s ALA 66 N -2.55 0.91 0.02 0.00 0.00 -0.51 -1.81 121.76 117.82 1x5d s ALA 66 Ca 0.34 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1x5d s ALA 66 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1x5d s ALA 66 CO 0.18 0.09 0.00 0.08 0.00 0.00 0.00 175.76 176.12 1x5d s VAL 67 N -1.27 0.10 -0.38 0.00 1.01 -1.17 -3.75 120.40 114.95 1x5d s VAL 67 Ca -0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1x5d s VAL 67 Cb -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1x5d s VAL 67 CO 0.01 -0.47 0.24 -0.62 0.00 0.00 0.00 175.10 174.27 1x5d s ASP 68 N -1.43 5.91 0.00 3.32 -1.08 -1.26 -0.61 116.67 121.52 1x5d s ASP 68 Ca -0.16 -0.87 0.01 0.00 -0.52 0.00 0.00 52.55 51.02 1x5d s ASP 68 Cb -0.09 -2.09 0.07 0.00 -1.46 0.00 0.00 42.92 39.34 1x5d s ASP 68 CO -0.01 -0.38 1.00 0.00 0.52 0.00 0.00 175.17 176.30 1x5d n ALA 69 N 5.07 1.12 0.05 3.66 0.00 -1.18 -0.11 120.51 129.12 1x5d n ALA 69 Ca -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1x5d n ALA 69 Cb 0.47 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 1x5d n ALA 69 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x5d h THR 70 N 0.00 1.37 0.00 0.00 1.35 -1.92 -3.37 112.91 110.34 1x5d h THR 70 Ca 0.00 -3.07 -0.18 0.00 -0.55 0.00 0.00 66.41 62.61 1x5d h THR 70 Cb 0.02 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1x5d h THR 70 CO 0.00 0.78 -1.82 0.55 -0.25 0.00 0.00 175.52 174.78 1x5d n VAL 71 N -3.24 0.69 -3.29 6.82 3.14 -0.20 -4.91 118.33 117.33 1x5d n VAL 71 Ca -0.04 -0.49 -0.42 0.00 -2.96 0.00 0.00 64.34 60.43 1x5d n VAL 71 Cb 0.94 -0.49 -0.08 0.00 -1.06 0.00 0.00 33.84 33.15 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1x5d s ASN 72 N -4.35 6.24 -0.12 6.55 0.01 0.84 -4.88 114.94 119.24 1x5d s ASN 72 Ca -0.06 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1x5d s ASN 72 Cb 0.05 -2.24 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 1x5d s ASN 72 CO 0.53 -0.51 -0.10 0.00 -1.51 0.00 0.00 177.10 175.50 1x5d n GLN 73 N 5.66 0.29 -0.29 -0.60 1.13 -1.26 -3.89 117.38 118.42 1x5d n GLN 73 Ca -0.06 0.07 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1x5d n GLN 73 Cb 0.48 -1.22 0.36 0.00 0.11 0.00 0.00 30.24 29.97 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 -0.02 0.82 0.04 5.09 2.07 -1.96 0.42 116.25 122.72 1x5d h VAL 74 Ca -0.26 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 1x5d h VAL 74 Cb 1.40 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1x5d h VAL 74 CO -0.05 0.13 -0.99 -0.07 0.02 0.00 0.00 177.57 176.62 1x5d h LEU 75 N 0.72 0.12 -0.84 2.57 3.38 -1.91 -2.87 115.31 116.49 1x5d h LEU 75 Ca 0.47 -0.75 0.18 0.00 0.09 0.00 0.00 57.88 57.87 1x5d h LEU 75 Cb 0.74 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1x5d h LEU 75 CO -0.23 1.41 0.37 0.00 0.09 0.00 0.00 178.44 180.07 1x5d h ALA 76 N -0.22 1.26 -0.03 1.53 0.00 -1.60 -1.31 119.26 118.90 1x5d h ALA 76 Ca -0.25 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1x5d h ALA 76 Cb 1.38 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1x5d h ALA 76 CO -0.07 -0.24 -0.74 0.77 0.00 0.00 0.00 179.25 178.98 1x5d h SER 77 N 0.46 0.70 -0.80 0.00 0.02 -1.07 2.01 113.55 114.87 1x5d h SER 77 Ca 0.49 -0.73 0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1x5d h SER 77 Cb 0.81 -0.21 -0.15 0.00 0.14 0.00 0.00 62.40 62.99 1x5d h SER 77 CO -0.45 1.33 -0.25 -0.09 -1.14 0.00 0.00 176.83 176.22 1x5d h ARG 78 N 0.13 -0.03 0.00 3.45 2.43 -1.01 -2.61 114.38 116.75 1x5d h ARG 78 Ca -0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1x5d h ARG 78 Cb 1.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1x5d h ARG 78 CO 0.15 -0.02 -1.82 0.66 -1.51 0.00 0.00 179.97 177.43 1x5d n TYR 79 N -5.51 0.00 -0.83 2.20 4.01 -0.96 -5.07 117.16 111.01 1x5d n TYR 79 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1x5d n TYR 79 Cb 0.40 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5d n GLY 80 N 1.71 -0.37 3.18 2.72 0.00 0.61 -5.05 105.19 107.99 1x5d n GLY 80 Ca -0.09 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.45 3.87 0.00 -0.61 -1.09 0.28 -4.82 121.20 118.38 1x5d s ILE 81 Ca 0.00 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 1x5d s ILE 81 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1x5d s ILE 81 CO 0.00 -0.75 0.00 0.54 -1.23 0.00 0.00 174.94 173.50 1x5d n ARG 82 N 4.78 1.19 -3.67 2.79 1.74 -1.26 -4.91 116.66 117.33 1x5d n ARG 82 Ca -0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.64 1x5d n ARG 82 Cb 0.41 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 30.85 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 -1.62 2.12 0.19 -0.13 0.00 -1.26 -5.08 107.32 101.54 1x5d s GLY 83 Ca 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 44.72 42.02 1x5d s GLY 83 CO 0.00 1.08 0.39 -1.36 0.00 0.00 0.00 173.10 173.21 1x5d s PHE 84 N 1.00 3.48 0.80 1.90 0.08 -1.26 -4.08 117.98 119.91 1x5d s PHE 84 Ca 0.09 0.38 -0.11 0.00 0.12 0.00 0.00 56.93 57.41 1x5d s PHE 84 Cb -0.23 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.42 1x5d s PHE 84 CO -0.03 0.38 1.09 -1.25 -0.10 0.00 0.00 175.22 175.32 1x5d s PRO 85 N -3.23 2.00 -0.15 0.24 0.04 -1.26 -4.97 135.00 127.67 1x5d s PRO 85 Ca 0.39 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1x5d s PRO 85 Cb -0.11 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1x5d s PRO 85 CO 0.28 -1.80 0.06 0.99 0.04 0.00 0.00 177.00 176.57 1x5d s THR 86 N -2.91 0.15 -0.21 1.26 2.01 -0.81 -4.99 115.64 110.14 1x5d s THR 86 Ca 0.62 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 1x5d s THR 86 Cb -0.17 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1x5d s THR 86 CO 0.56 -0.13 0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 1x5d s ILE 87 N 2.04 4.35 -0.01 1.82 1.01 -1.26 -0.21 121.20 128.94 1x5d s ILE 87 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1x5d s ILE 87 Cb -0.15 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 1x5d s ILE 87 CO -0.07 0.41 -0.05 -0.54 0.00 0.00 0.00 174.94 174.68 1x5d s LYS 88 N 0.99 0.44 -0.12 2.79 -0.14 -0.23 -1.91 119.74 121.56 1x5d s LYS 88 Ca 0.03 -0.17 -0.05 0.00 -1.36 0.00 0.00 55.97 54.42 1x5d s LYS 88 Cb -0.14 -0.43 -0.04 0.00 -1.68 0.00 0.00 37.83 35.54 1x5d s LYS 88 CO 0.03 0.09 0.07 0.42 -0.76 0.00 0.00 175.35 175.20 1x5d s ILE 89 N -0.03 4.92 -0.26 2.17 1.09 -1.16 -1.75 121.20 126.17 1x5d s ILE 89 Ca 0.01 -0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.56 1x5d s ILE 89 Cb -0.03 -3.13 0.07 0.00 -1.06 0.00 0.00 42.46 38.31 1x5d s ILE 89 CO -0.00 0.58 -0.02 -0.36 -0.10 0.00 0.00 174.94 175.04 1x5d s PHE 90 N -0.68 2.47 -0.15 3.97 0.08 -1.17 -1.83 117.98 120.66 1x5d s PHE 90 Ca 0.12 -1.89 -0.16 0.00 0.12 0.00 0.00 56.93 55.11 1x5d s PHE 90 Cb -0.12 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1x5d s PHE 90 CO 0.02 -0.81 0.39 -0.65 -0.10 0.00 0.00 175.22 174.08 1x5d s GLN 91 N 1.37 4.28 -0.08 0.44 1.11 -1.26 -3.57 119.66 121.94 1x5d s GLN 91 Ca -0.02 0.27 -0.29 0.00 0.01 0.00 0.00 55.36 55.32 1x5d s GLN 91 Cb -0.19 -3.45 -0.07 0.00 -1.01 0.00 0.00 33.01 28.29 1x5d s GLN 91 CO -0.09 0.14 2.03 0.21 0.01 0.00 0.00 175.29 177.60 1x5d s LYS 92 N 0.73 3.72 0.00 2.91 2.36 -1.26 -1.91 119.74 126.29 1x5d s LYS 92 Ca 0.21 2.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.94 1x5d s LYS 92 Cb -0.14 -4.23 0.00 0.00 -1.05 0.00 0.00 37.83 32.41 1x5d s LYS 92 CO 0.07 -1.42 0.00 0.41 1.55 0.00 0.00 175.35 175.96 1x5d n GLY 93 N 5.02 3.08 4.01 5.54 0.00 -1.26 -5.03 105.19 116.54 1x5d n GLY 93 Ca 0.24 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 1x5d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5d s GLU 94 N 0.00 2.16 0.42 1.61 0.41 -0.80 -5.10 118.70 117.40 1x5d s GLU 94 Ca 0.00 -1.32 -0.11 0.00 -0.41 0.00 0.00 54.97 53.13 1x5d s GLU 94 Cb 0.00 -2.53 -0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1x5d s GLU 94 CO 0.00 -0.99 0.79 -1.12 -0.49 0.00 0.00 175.26 173.45 1x5d s SER 95 N -4.63 6.50 1.14 -0.19 0.01 -1.26 -4.47 113.70 110.80 1x5d s SER 95 Ca 0.62 1.15 -0.17 0.00 1.31 0.00 0.00 55.95 58.87 1x5d s SER 95 Cb -0.06 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.09 1x5d s SER 95 CO 0.40 -0.44 1.10 -2.16 0.41 0.00 0.00 173.24 172.56 1x5d s PRO 96 N -3.96 -0.71 0.18 12.44 0.04 -1.26 -4.48 135.00 137.25 1x5d s PRO 96 Ca 0.52 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.62 1x5d s PRO 96 Cb -0.10 -1.64 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1x5d s PRO 96 CO 0.33 -3.41 0.23 0.54 0.04 0.00 0.00 177.00 174.73 1x5d s VAL 97 N -2.99 0.04 -0.38 -0.36 0.11 -0.76 -5.00 120.40 111.06 1x5d s VAL 97 Ca 0.69 -1.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 1x5d s VAL 97 Cb -0.13 -2.13 0.07 0.00 -1.53 0.00 0.00 36.38 32.66 1x5d s VAL 97 CO 0.57 -0.19 0.16 1.51 -3.33 0.00 0.00 175.10 173.82 1x5d s ASP 98 N -3.05 5.35 0.15 3.54 -4.77 -1.26 -3.01 116.67 113.62 1x5d s ASP 98 Ca 0.26 -1.47 -0.31 0.00 -3.30 0.00 0.00 52.55 47.72 1x5d s ASP 98 Cb 0.04 -1.88 -0.09 0.00 -1.09 0.00 0.00 42.92 39.90 1x5d s ASP 98 CO 0.05 -0.44 1.52 -0.47 0.70 0.00 0.00 175.17 176.54 1x5d s TYR 99 N 1.33 3.11 -0.02 2.11 6.14 -0.80 -5.01 117.35 124.21 1x5d s TYR 99 Ca 0.01 0.72 -0.00 0.00 0.64 0.00 0.00 57.07 58.44 1x5d s TYR 99 Cb -0.21 -3.86 0.03 0.00 0.42 0.00 0.00 41.96 38.34 1x5d s TYR 99 CO 0.00 -3.13 0.04 0.34 0.64 0.00 0.00 175.55 173.44 1x5d s ASP 100 N 1.14 0.20 0.00 4.32 2.15 -1.26 -4.69 116.67 118.53 1x5d s ASP 100 Ca 0.69 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.72 1x5d s ASP 100 Cb -0.42 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.14 1x5d s ASP 100 CO 0.31 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 1x5d n GLY 101 N 4.33 -0.53 3.92 2.66 0.00 -1.26 -5.14 105.19 109.17 1x5d n GLY 101 Ca -0.25 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1x5d n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5d s GLY 102 N 0.00 1.73 -0.81 -0.02 0.00 -1.26 -5.01 107.32 101.95 1x5d s GLY 102 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1x5d s GLY 102 CO 0.00 -0.66 1.94 -2.13 0.00 0.00 0.00 173.10 172.25 1x5d n ARG 103 N -0.99 2.84 -3.99 2.90 0.63 -1.26 -4.51 116.66 112.28 1x5d n ARG 103 Ca -0.03 -3.62 -0.15 0.00 -0.92 0.00 0.00 57.85 53.12 1x5d n ARG 103 Cb 0.54 -2.27 -0.15 0.00 0.45 0.00 0.00 32.46 31.04 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 -5.12 0.20 0.34 5.15 -4.23 -1.26 -4.93 115.64 105.80 1x5d s THR 104 Ca 0.52 -0.06 0.24 0.00 -1.18 0.00 0.00 61.69 61.20 1x5d s THR 104 Cb 0.43 -0.21 0.37 0.00 1.34 0.00 0.00 72.50 74.44 1x5d s THR 104 CO -0.40 0.08 1.29 -2.11 -0.54 0.00 0.00 174.62 172.95 1x5d n ARG 105 N 3.32 -0.04 0.02 3.99 1.85 -1.17 0.20 116.66 124.83 1x5d n ARG 105 Ca -0.16 1.07 -0.14 0.00 -1.00 0.00 0.00 57.85 57.61 1x5d n ARG 105 Cb 0.57 -2.04 -0.08 0.00 -1.05 0.00 0.00 32.46 29.85 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 -1.52 0.28 2.89 0.02 -1.95 0.20 113.55 113.47 1x5d h SER 106 Ca 0.72 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.84 1x5d h SER 106 Cb 2.18 0.59 0.00 0.00 0.14 0.00 0.00 62.40 65.32 1x5d h SER 106 CO -0.47 -0.48 -0.14 0.44 -1.14 0.00 0.00 176.83 175.04 1x5d h ASP 107 N -0.59 -0.32 -0.99 3.07 3.32 -0.56 -1.86 116.42 118.49 1x5d h ASP 107 Ca 0.04 -0.20 0.33 0.00 0.02 0.00 0.00 57.03 57.22 1x5d h ASP 107 Cb 0.68 0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.16 1x5d h ASP 107 CO -0.39 0.07 0.52 0.40 -1.72 0.00 0.00 179.24 178.12 1x5d h ILE 108 N -0.77 0.23 -0.03 0.35 2.04 -1.25 0.15 117.51 118.22 1x5d h ILE 108 Ca -0.04 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1x5d h ILE 108 Cb 0.50 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1x5d h ILE 108 CO 0.06 0.04 -0.16 0.58 0.00 0.00 0.00 178.15 178.68 1x5d h VAL 109 N 0.24 1.48 -0.81 1.67 2.07 -0.56 -3.01 116.25 117.34 1x5d h VAL 109 Ca 0.74 -1.64 0.19 0.00 0.82 0.00 0.00 66.70 66.81 1x5d h VAL 109 Cb 1.73 2.46 -0.14 0.00 -1.52 0.00 0.00 31.29 33.81 1x5d h VAL 109 CO -0.65 0.45 0.03 -1.28 0.02 0.00 0.00 177.57 176.14 1x5d h SER 110 N -0.41 -0.33 0.82 0.57 0.87 0.14 -1.71 113.55 113.50 1x5d h SER 110 Ca -0.01 0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1x5d h SER 110 Cb 0.82 0.36 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1x5d h SER 110 CO 0.03 -0.20 -0.39 -0.09 -0.53 0.00 0.00 176.83 175.65 1x5d h ARG 111 N 0.11 -1.06 -1.08 2.24 9.65 -1.41 -2.87 114.38 119.95 1x5d h ARG 111 Ca 0.45 0.07 0.39 0.00 -1.10 0.00 0.00 59.98 59.80 1x5d h ARG 111 Cb 0.83 0.24 -0.13 0.00 -1.39 0.00 0.00 29.97 29.53 1x5d h ARG 111 CO -0.70 -0.70 0.66 0.00 2.80 0.00 0.00 179.97 182.03 1x5d n ALA 112 N -2.67 1.08 -0.08 2.80 0.00 -0.69 0.23 120.51 121.18 1x5d n ALA 112 Ca -0.14 0.78 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1x5d n ALA 112 Cb 0.44 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1x5d n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x5d h LEU 113 N 0.00 0.74 -1.14 0.00 3.38 -1.22 -0.66 115.31 116.41 1x5d h LEU 113 Ca 0.74 -0.51 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1x5d h LEU 113 Cb 2.26 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.71 1x5d h LEU 113 CO -0.47 1.10 0.61 0.44 0.09 0.00 0.00 178.44 180.21 1x5d h ASP 114 N 0.40 0.71 0.29 -0.43 3.32 0.32 -1.25 116.42 119.78 1x5d h ASP 114 Ca 0.03 0.08 -0.34 0.00 0.02 0.00 0.00 57.03 56.82 1x5d h ASP 114 Cb 0.93 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.44 1x5d h ASP 114 CO 0.08 0.27 -1.62 -0.07 -1.72 0.00 0.00 179.24 176.19 1x5d h LEU 115 N 0.70 0.62 -1.90 1.55 3.38 -1.41 -3.31 115.31 114.94 1x5d h LEU 115 Ca 0.54 -0.82 0.17 0.00 0.09 0.00 0.00 57.88 57.86 1x5d h LEU 115 Cb 0.92 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1x5d h LEU 115 CO -0.31 1.68 0.45 0.15 0.09 0.00 0.00 178.44 180.50 1x5d h PHE 116 N 0.11 0.11 -0.21 1.13 3.57 -0.04 0.56 116.94 122.18 1x5d h PHE 116 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1x5d h PHE 116 Cb 2.10 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.80 1x5d h PHE 116 CO 0.10 0.04 0.00 -1.13 -2.23 0.00 0.00 178.31 175.09 1x5d n SER 117 N -4.39 1.98 0.00 0.41 3.41 -0.58 -1.81 113.62 112.65 1x5d n SER 117 Ca 0.12 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1x5d n SER 117 Cb 0.65 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1x5d n SER 117 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x5d n ASP 118 N 0.20 4.67 -0.01 4.04 9.92 0.19 -4.91 116.55 130.64 1x5d n ASP 118 Ca 0.08 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.30 1x5d n ASP 118 Cb 0.40 0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 41.30 1x5d n ASP 118 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1x5d n ASN 119 N -1.98 0.86 -4.34 -2.24 3.02 -0.97 -5.06 115.26 104.55 1x5d n ASN 119 Ca 0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.33 1x5d n ASN 119 Cb 0.48 -0.31 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 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 -3.50 -2.84 -1.16 5.41 0.00 -0.75 -4.96 120.51 112.72 1x5d n ALA 120 Ca -0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1x5d n ALA 120 Cb 0.38 -1.67 0.18 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.93 0.31 0.79 0.00 0.04 -1.26 -4.81 135.00 127.14 1x5d s PRO 121 Ca 0.56 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1x5d s PRO 121 Cb -0.26 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.62 1x5d s PRO 121 CO 0.67 -2.81 1.09 -1.25 0.04 0.00 0.00 177.00 174.75 1x5d s PRO 122 N -4.96 2.12 0.41 0.56 0.04 -1.26 -4.99 135.00 126.90 1x5d s PRO 122 Ca 0.66 1.12 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 1x5d s PRO 122 Cb -0.19 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1x5d s PRO 122 CO 0.58 -1.73 0.36 -0.35 0.04 0.00 0.00 177.00 175.90 1x5d n PRO 123 N -3.58 -1.73 -1.30 0.56 -0.04 -1.26 -4.91 135.00 122.75 1x5d n PRO 123 Ca 0.09 -0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 62.54 1x5d n PRO 123 Cb 0.53 -0.54 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1x5d n PRO 123 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x5d n GLU 124 N -2.62 0.00 -4.06 0.54 4.07 -1.26 -4.98 120.64 112.33 1x5d n GLU 124 Ca 0.05 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.05 1x5d n GLU 124 Cb 0.19 -0.96 -0.06 0.00 -0.06 0.00 0.00 31.44 30.55 1x5d n GLU 124 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1x5d s LEU 125 N 3.57 0.62 -0.56 4.31 2.34 -1.26 -5.08 118.68 122.62 1x5d s LEU 125 Ca 0.59 -1.12 -0.35 0.00 0.06 0.00 0.00 54.13 53.31 1x5d s LEU 125 Cb -0.75 1.37 -0.17 0.00 -0.56 0.00 0.00 46.19 46.07 1x5d s LEU 125 CO 0.57 -1.08 2.02 0.18 -1.06 0.00 0.00 176.35 176.98 1x5d n LEU 126 N -0.37 0.54 -3.72 1.48 4.77 -1.26 -4.87 117.00 113.57 1x5d n LEU 126 Ca -0.00 0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1x5d n LEU 126 Cb 0.63 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1x5d n LEU 126 CO 0.26 -0.66 0.06 -1.83 -1.33 0.00 0.00 177.39 173.89 1x5d s GLU 127 N 6.02 0.97 -0.23 3.23 4.04 -1.26 -5.15 118.70 126.33 1x5d s GLU 127 Ca 1.09 -0.78 -0.09 0.00 0.04 0.00 0.00 54.97 55.23 1x5d s GLU 127 Cb -1.26 0.42 -0.05 0.00 0.02 0.00 0.00 34.13 33.26 1x5d s GLU 127 CO 0.54 -0.35 0.12 -1.54 -1.84 0.00 0.00 175.26 172.19 1x5d s SER 128 N -2.77 5.87 -0.07 0.83 1.04 -1.26 -5.06 113.70 112.28 1x5d s SER 128 Ca 0.03 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.23 1x5d s SER 128 Cb 0.03 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 1x5d s SER 128 CO -0.11 0.08 1.52 -0.83 0.98 0.00 0.00 173.24 174.88 1x5d s GLY 129 N 0.93 1.61 0.36 7.32 0.00 -1.26 -5.01 107.32 111.27 1x5d s GLY 129 Ca 0.06 0.81 -0.06 0.00 0.00 0.00 0.00 44.72 45.53 1x5d s GLY 129 CO 0.03 2.82 0.32 -1.55 0.00 0.00 0.00 173.10 174.72 1x5d n PRO 130 N 6.70 -1.65 -3.85 2.90 -0.04 -1.26 -5.06 135.00 132.74 1x5d n PRO 130 Ca 0.16 -0.51 -0.26 0.00 -0.04 0.00 0.00 63.50 62.85 1x5d n PRO 130 Cb 0.43 -0.48 -0.03 0.00 -0.04 0.00 0.00 33.50 33.39 1x5d n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5d s SER 131 N -2.37 6.35 -0.59 3.54 1.04 -1.26 -5.02 113.70 115.38 1x5d s SER 131 Ca 0.21 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1x5d s SER 131 Cb -0.02 -1.94 0.44 0.00 0.10 0.00 0.00 66.02 64.60 1x5d s SER 131 CO 0.16 -0.00 1.81 -1.54 0.98 0.00 0.00 173.24 174.65 1x5d n SER 132 N -0.71 6.96 0.00 7.02 3.41 -1.26 -5.34 113.62 123.70 1x5d n SER 132 Ca -0.06 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.76 1x5d n SER 132 Cb 0.54 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1x5d n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49