#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 6.13 -0.16 1.61 0.15 -1.26 -4.96 113.70 115.21 1x5d s SER 2 Ca 0.00 -0.35 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 1x5d s SER 2 Cb 0.00 -2.17 -0.11 0.00 -1.71 0.00 0.00 66.02 62.03 1x5d s SER 2 CO 0.00 -0.30 0.11 0.28 1.20 0.00 0.00 173.24 174.53 1x5d h SER 3 N 8.49 0.00 -0.01 5.45 0.02 -2.08 -3.48 113.55 121.94 1x5d h SER 3 Ca -0.30 -0.31 0.25 0.00 -0.84 0.00 0.00 61.79 60.59 1x5d h SER 3 Cb 1.15 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.51 1x5d h SER 3 CO 0.67 1.00 0.07 -0.83 -1.14 0.00 0.00 176.83 176.60 1x5d s GLY 4 N -4.33 -1.03 -0.04 -3.77 0.00 -1.26 -5.17 107.32 91.72 1x5d s GLY 4 Ca -0.18 2.22 -0.13 0.00 0.00 0.00 0.00 44.72 46.62 1x5d s GLY 4 CO 0.37 4.30 0.30 -1.35 0.00 0.00 0.00 173.10 176.72 1x5d s SER 5 N 2.74 -0.20 1.13 1.64 1.04 -1.26 -5.17 113.70 113.62 1x5d s SER 5 Ca 0.29 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.79 1x5d s SER 5 Cb 0.02 0.38 0.17 0.00 0.10 0.00 0.00 66.02 66.69 1x5d s SER 5 CO -0.21 -0.37 0.62 -0.24 0.98 0.00 0.00 173.24 174.03 1x5d n SER 6 N 1.65 -1.54 -4.52 7.02 2.88 -1.26 -4.71 113.62 113.15 1x5d n SER 6 Ca -0.20 -0.89 -0.20 0.00 -1.33 0.00 0.00 58.87 56.25 1x5d n SER 6 Cb 0.56 -0.57 -0.18 0.00 -0.75 0.00 0.00 64.21 63.28 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5d n GLY 7 N -1.53 -0.39 2.10 0.46 0.00 -1.26 -2.25 105.19 102.33 1x5d n GLY 7 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 9.72 -0.77 -4.51 1.61 -0.08 -1.26 -4.40 116.55 116.86 1x5d n ASP 8 Ca 0.61 0.38 -0.43 0.00 -1.51 0.00 0.00 54.79 53.85 1x5d n ASP 8 Cb 0.23 -0.84 -0.04 0.00 2.34 0.00 0.00 41.12 42.81 1x5d n ASP 8 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1x5d s VAL 9 N -1.68 4.42 0.13 5.18 1.01 -0.95 -4.65 120.40 123.86 1x5d s VAL 9 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1x5d s VAL 9 Cb 0.00 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.78 1x5d s VAL 9 CO 0.00 -1.12 0.92 -0.63 0.00 0.00 0.00 175.10 174.28 1x5d s ILE 10 N 3.86 4.43 -0.21 2.22 1.01 -0.93 -4.40 121.20 127.18 1x5d s ILE 10 Ca 0.29 2.00 -0.09 0.00 0.00 0.00 0.00 60.65 62.85 1x5d s ILE 10 Cb -0.13 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1x5d s ILE 10 CO 0.18 0.37 0.11 -0.70 0.00 0.00 0.00 174.94 174.90 1x5d s GLU 11 N -0.32 4.05 0.44 2.79 2.12 -1.26 -0.21 118.70 126.31 1x5d s GLU 11 Ca 0.44 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.54 1x5d s GLU 11 Cb -0.24 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1x5d s GLU 11 CO 0.29 0.20 0.26 -0.51 -0.54 0.00 0.00 175.26 174.96 1x5d s LEU 12 N 0.62 3.06 0.19 2.70 1.43 -1.18 -4.97 118.68 120.53 1x5d s LEU 12 Ca 0.06 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.12 1x5d s LEU 12 Cb -0.12 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1x5d s LEU 12 CO 0.01 -0.69 -0.01 -0.89 0.23 0.00 0.00 176.35 175.00 1x5d s THR 13 N -2.62 0.85 0.38 5.49 2.01 -1.25 -4.84 115.64 115.67 1x5d s THR 13 Ca 0.39 -2.01 0.19 0.00 0.31 0.00 0.00 61.69 60.57 1x5d s THR 13 Cb 0.01 -2.18 0.39 0.00 0.01 0.00 0.00 72.50 70.73 1x5d s THR 13 CO 0.22 -0.44 1.72 0.44 -0.69 0.00 0.00 174.62 175.87 1x5d h ASP 14 N 2.62 0.45 0.00 3.53 3.32 -1.98 1.42 116.42 125.78 1x5d h ASP 14 Ca -0.37 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1x5d h ASP 14 Cb 1.21 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1x5d h ASP 14 CO 0.63 -0.01 -1.55 0.47 -1.72 0.00 0.00 179.24 177.06 1x5d n ASP 15 N -4.75 0.47 -1.29 6.45 8.00 -1.26 -4.21 116.55 119.96 1x5d n ASP 15 Ca 0.29 -0.43 0.08 0.00 0.71 0.00 0.00 54.79 55.45 1x5d n ASP 15 Cb 0.99 1.56 0.31 0.00 -0.02 0.00 0.00 41.12 43.96 1x5d n ASP 15 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x5d n SER 16 N -1.92 4.41 -0.09 -2.24 7.64 0.11 -4.21 113.62 117.32 1x5d n SER 16 Ca -0.01 -2.65 -0.09 0.00 1.01 0.00 0.00 58.87 57.13 1x5d n SER 16 Cb 0.46 -0.54 -0.16 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.44 0.12 -0.09 1.43 -0.00 0.45 -3.76 117.46 116.04 1x5d n PHE 17 Ca 0.23 0.04 -0.16 0.00 -0.00 0.00 0.00 57.45 57.56 1x5d n PHE 17 Cb 0.88 -1.01 -0.09 0.00 -0.00 0.00 0.00 39.48 39.26 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 0.23 -2.13 3.32 -1.80 -2.83 116.42 113.21 1x5d h ASP 18 Ca -0.51 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1x5d h ASP 18 Cb 2.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.75 1x5d h ASP 18 CO 0.04 1.24 0.00 2.29 -1.72 0.00 0.00 179.24 181.08 1x5d n LYS 19 N -4.51 0.03 -0.08 3.56 2.85 -1.26 0.69 118.16 119.45 1x5d n LYS 19 Ca -0.23 0.43 -0.06 0.00 -1.05 0.00 0.00 58.31 57.40 1x5d n LYS 19 Cb 0.54 -1.58 -0.15 0.00 -0.65 0.00 0.00 35.03 33.18 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x5d n ASN 20 N -1.65 0.32 -0.07 -5.58 3.02 -1.25 -4.18 115.26 105.87 1x5d n ASN 20 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.49 1x5d n ASN 20 Cb 0.08 1.15 -0.02 0.00 -0.61 0.00 0.00 39.78 40.38 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 -2.61 1.26 0.14 2.41 0.31 -0.66 -4.10 118.33 115.08 1x5d n VAL 21 Ca -0.26 0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.14 1x5d n VAL 21 Cb 1.01 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.78 -0.85 -0.78 7.52 3.38 0.06 0.42 115.31 124.28 1x5d h LEU 22 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x5d h LEU 22 Cb 0.78 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1x5d h LEU 22 CO 0.00 -0.40 0.00 -0.67 0.09 0.00 0.00 178.44 177.46 1x5d n ASP 23 N -5.41 0.34 -4.27 -0.43 2.03 -1.08 -4.17 116.55 103.56 1x5d n ASP 23 Ca -0.07 0.65 -0.43 0.00 0.52 0.00 0.00 54.79 55.45 1x5d n ASP 23 Cb 0.32 -0.69 -0.07 0.00 -0.72 0.00 0.00 41.12 39.95 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 -3.62 5.90 0.62 1.67 0.15 0.14 -4.92 113.70 113.64 1x5d s SER 24 Ca -0.01 -1.76 0.26 0.00 0.70 0.00 0.00 55.95 55.14 1x5d s SER 24 Cb 0.04 -2.09 1.31 0.00 -1.71 0.00 0.00 66.02 63.57 1x5d s SER 24 CO 0.14 -0.73 1.74 -0.33 1.20 0.00 0.00 173.24 175.27 1x5d h GLU 25 N 8.62 0.00 -7.27 5.44 5.08 -1.75 -3.41 114.58 121.28 1x5d h GLU 25 Ca -0.25 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.60 1x5d h GLU 25 Cb 1.09 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.43 1x5d h GLU 25 CO 0.91 0.00 0.36 -0.51 -1.00 0.00 0.00 179.01 178.77 1x5d s ASP 26 N -4.52 5.31 0.38 1.42 1.11 -1.26 -4.64 116.67 114.46 1x5d s ASP 26 Ca -0.03 1.76 -0.25 0.00 0.18 0.00 0.00 52.55 54.21 1x5d s ASP 26 Cb 0.12 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.50 1x5d s ASP 26 CO 0.40 -1.49 1.04 -0.69 1.18 0.00 0.00 175.17 175.61 1x5d s VAL 27 N -2.76 3.76 -0.19 -1.27 1.01 -1.26 -4.80 120.40 114.88 1x5d s VAL 27 Ca 0.61 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.96 1x5d s VAL 27 Cb -0.16 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1x5d s VAL 27 CO 0.48 0.05 -0.01 0.26 0.00 0.00 0.00 175.10 175.88 1x5d s TRP 28 N -1.62 1.48 -0.64 5.22 0.52 -1.23 -1.19 118.94 121.48 1x5d s TRP 28 Ca 0.56 -1.09 -0.23 0.00 0.02 0.00 0.00 56.10 55.36 1x5d s TRP 28 Cb -0.22 -1.21 0.06 0.00 -1.15 0.00 0.00 33.47 30.95 1x5d s TRP 28 CO 0.28 -0.64 0.97 -1.64 0.02 0.00 0.00 176.95 175.95 1x5d s MET 29 N 1.70 3.15 -0.05 4.98 -1.94 0.70 -3.40 119.30 124.44 1x5d s MET 29 Ca -0.01 -0.71 -0.25 0.00 -1.71 0.00 0.00 55.69 53.00 1x5d s MET 29 Cb -0.17 -4.20 -0.04 0.00 2.01 0.00 0.00 34.83 32.44 1x5d s MET 29 CO -0.07 -1.77 0.76 0.08 -0.01 0.00 0.00 175.02 174.00 1x5d s VAL 30 N 4.11 4.99 -0.37 -6.03 1.01 -0.87 -0.78 120.40 122.47 1x5d s VAL 30 Ca 0.24 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1x5d s VAL 30 Cb -0.16 -4.10 0.11 0.00 0.00 0.00 0.00 36.38 32.24 1x5d s VAL 30 CO 0.12 0.24 0.13 -0.70 0.00 0.00 0.00 175.10 174.89 1x5d s GLU 31 N 0.78 1.16 0.08 2.72 2.56 -0.07 -0.59 118.70 125.33 1x5d s GLU 31 Ca 0.40 -1.64 -0.31 0.00 0.00 0.00 0.00 54.97 53.42 1x5d s GLU 31 Cb -0.19 -2.51 -0.07 0.00 2.00 0.00 0.00 34.13 33.36 1x5d s GLU 31 CO 0.20 -1.03 1.38 -0.06 -0.56 0.00 0.00 175.26 175.19 1x5d s PHE 32 N 0.96 3.15 0.13 5.30 0.40 -0.01 -2.92 117.98 125.00 1x5d s PHE 32 Ca 0.13 0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 57.39 1x5d s PHE 32 Cb -0.20 -3.65 -0.04 0.00 0.51 0.00 0.00 43.02 39.64 1x5d s PHE 32 CO -0.12 -2.30 0.05 1.52 0.70 0.00 0.00 175.22 175.07 1x5d s TYR 33 N 1.47 0.88 -0.03 0.36 -0.85 -0.30 -1.27 117.35 117.60 1x5d s TYR 33 Ca 0.64 -1.23 0.06 0.00 -0.52 0.00 0.00 57.07 56.02 1x5d s TYR 33 Cb -0.35 -0.49 -0.01 0.00 0.38 0.00 0.00 41.96 41.49 1x5d s TYR 33 CO 0.29 -0.51 -0.22 0.00 -1.52 0.00 0.00 175.55 173.60 1x5d s ALA 34 N -4.04 1.84 -0.01 9.51 0.00 -1.26 -3.09 121.76 124.71 1x5d s ALA 34 Ca 0.24 -0.91 0.32 0.00 0.00 0.00 0.00 51.96 51.61 1x5d s ALA 34 Cb 0.07 -0.53 1.32 0.00 0.00 0.00 0.00 23.12 23.98 1x5d s ALA 34 CO 0.02 0.40 1.93 -1.00 0.00 0.00 0.00 175.76 177.11 1x5d h PRO 35 N 5.89 0.00 -0.55 0.00 0.13 -2.00 -2.46 132.00 133.01 1x5d h PRO 35 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1x5d h PRO 35 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x5d h PRO 35 CO 0.47 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.57 1x5d n TRP 36 N -2.89 0.73 -4.35 1.56 4.27 -1.26 -4.93 117.44 110.58 1x5d n TRP 36 Ca 0.01 -0.49 -0.34 0.00 -3.89 0.00 0.00 57.50 52.79 1x5d n TRP 36 Cb 0.28 -0.01 -0.13 0.00 -1.36 0.00 0.00 31.31 30.09 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 6.95 -0.41 -1.57 0.00 0.00 -1.91 -2.68 103.07 103.43 1x5d h GLY 38 Ca -0.32 0.15 0.51 0.00 0.00 0.00 0.00 47.33 47.67 1x5d h GLY 38 CO 0.61 -0.15 1.08 0.45 0.00 0.00 0.00 176.54 178.54 1x5d h HIS 39 N -0.51 0.32 0.28 5.60 3.86 -1.94 0.19 115.15 122.96 1x5d h HIS 39 Ca -0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1x5d h HIS 39 Cb 0.38 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1x5d h HIS 39 CO -0.03 -0.18 -0.13 0.00 0.86 0.00 0.00 177.93 178.45 1x5d h LYS 41 N -1.05 0.34 0.00 0.00 1.57 -0.51 0.98 116.57 117.90 1x5d h LYS 41 Ca -0.04 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1x5d h LYS 41 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1x5d h LYS 41 CO 0.06 0.23 -0.63 -0.91 -0.57 0.00 0.00 179.45 177.63 1x5d h ASN 42 N 0.35 0.00 1.70 0.86 4.21 -1.30 -3.00 115.58 118.40 1x5d h ASN 42 Ca 0.64 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 58.10 1x5d h ASN 42 Cb 1.34 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.53 1x5d h ASN 42 CO -0.58 0.63 -0.31 0.25 -1.29 0.00 0.00 177.43 176.13 1x5d h LEU 43 N 0.00 0.00 -0.90 1.61 5.85 0.14 -3.35 115.31 118.66 1x5d h LEU 43 Ca -0.01 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1x5d h LEU 43 Cb 1.14 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.03 1x5d h LEU 43 CO 0.08 0.24 -0.35 1.21 -0.34 0.00 0.00 178.44 179.28 1x5d n GLU 44 N -3.13 -0.21 -0.05 1.25 0.00 0.19 0.13 120.64 118.82 1x5d n GLU 44 Ca 0.03 1.38 -0.13 0.00 0.00 0.00 0.00 57.16 58.43 1x5d n GLU 44 Cb 0.63 -2.05 -0.07 0.00 0.00 0.00 0.00 31.44 29.95 1x5d n GLU 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1x5d h PRO 45 N 0.00 0.32 -0.33 5.31 0.13 -1.77 0.12 132.00 135.78 1x5d h PRO 45 Ca 0.31 -0.17 0.10 0.00 -0.87 0.00 0.00 66.00 65.37 1x5d h PRO 45 Cb 0.54 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1x5d h PRO 45 CO -0.89 0.72 0.28 0.93 -0.23 0.00 0.00 178.00 178.81 1x5d h GLU 46 N -0.06 0.00 0.08 0.86 3.07 -1.05 -1.21 114.58 116.28 1x5d h GLU 46 Ca 0.02 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.52 1x5d h GLU 46 Cb 0.66 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1x5d h GLU 46 CO 0.03 0.00 -2.06 1.87 -1.40 0.00 0.00 179.01 177.45 1x5d n TRP 47 N -4.14 0.94 0.12 4.33 -0.00 0.12 -2.31 117.44 116.49 1x5d n TRP 47 Ca 0.05 0.22 -0.13 0.00 -0.00 0.00 0.00 57.50 57.64 1x5d n TRP 47 Cb 0.44 -1.13 -0.06 0.00 -0.00 0.00 0.00 31.31 30.57 1x5d n TRP 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1x5d h ALA 48 N 0.25 -0.34 -0.06 5.87 0.00 0.09 -0.63 119.26 124.43 1x5d h ALA 48 Ca -0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x5d h ALA 48 Cb 2.02 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 20.10 1x5d h ALA 48 CO 0.05 -0.73 0.03 0.00 0.00 0.00 0.00 179.25 178.60 1x5d h ALA 49 N 0.41 0.08 -0.70 0.00 0.00 -1.46 -2.92 119.26 114.67 1x5d h ALA 49 Ca 0.02 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1x5d h ALA 49 Cb 0.39 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1x5d h ALA 49 CO -0.09 -0.36 0.22 0.00 0.00 0.00 0.00 179.25 179.02 1x5d h ALA 50 N 0.90 0.92 -0.98 0.00 0.00 -1.56 0.48 119.26 119.02 1x5d h ALA 50 Ca 0.02 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1x5d h ALA 50 Cb 0.12 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1x5d h ALA 50 CO -0.00 -0.26 0.63 0.00 0.00 0.00 0.00 179.25 179.61 1x5d h ALA 51 N 1.53 1.53 0.04 0.00 0.00 -0.93 0.57 119.26 121.99 1x5d h ALA 51 Ca 0.38 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1x5d h ALA 51 Cb 0.58 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x5d h ALA 51 CO -0.42 0.25 -1.14 0.77 0.00 0.00 0.00 179.25 178.72 1x5d h SER 52 N 1.01 0.12 1.63 0.00 0.02 -0.83 -2.87 113.55 112.63 1x5d h SER 52 Ca 0.47 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1x5d h SER 52 Cb 0.42 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1x5d h SER 52 CO -0.23 1.11 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.42 1x5d h GLU 53 N 0.02 0.00 0.19 3.45 4.57 0.92 -2.44 114.58 121.29 1x5d h GLU 53 Ca -0.07 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.76 1x5d h GLU 53 Cb 1.85 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.45 1x5d h GLU 53 CO 0.14 0.07 -1.73 0.28 -1.18 0.00 0.00 179.01 176.60 1x5d h VAL 54 N 0.00 0.97 0.00 0.32 2.07 0.07 -3.19 116.25 116.49 1x5d h VAL 54 Ca -0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 1x5d h VAL 54 Cb 0.90 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1x5d h VAL 54 CO 0.01 0.85 -0.04 0.07 0.02 0.00 0.00 177.57 178.49 1x5d h LYS 55 N 0.11 0.00 0.01 1.57 2.10 -1.54 0.14 116.57 118.96 1x5d h LYS 55 Ca -0.34 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.10 1x5d h LYS 55 Cb 2.11 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.41 1x5d h LYS 55 CO 0.19 0.04 -1.01 1.05 -2.00 0.00 0.00 179.45 177.71 1x5d h GLU 56 N 0.00 0.02 0.07 0.07 4.11 -1.54 0.89 114.58 118.20 1x5d h GLU 56 Ca -0.00 -0.04 -0.38 0.00 0.07 0.00 0.00 59.36 59.02 1x5d h GLU 56 Cb 0.82 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1x5d h GLU 56 CO 0.00 1.01 -2.21 1.04 0.07 0.00 0.00 179.01 178.92 1x5d n GLN 57 N -3.38 0.71 -0.10 1.06 6.02 -1.17 -4.15 117.38 116.37 1x5d n GLN 57 Ca -0.01 0.21 0.01 0.00 -0.01 0.00 0.00 57.00 57.21 1x5d n GLN 57 Cb 0.94 -1.62 0.05 0.00 1.02 0.00 0.00 30.24 30.62 1x5d n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1x5d n THR 58 N -3.39 0.31 -2.18 5.09 -2.24 0.48 -4.83 114.28 107.53 1x5d n THR 58 Ca -0.38 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 1x5d n THR 58 Cb 1.02 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.02 -1.91 -0.96 -0.78 4.76 -1.15 0.39 118.16 118.52 1x5d n LYS 59 Ca 0.04 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1x5d n LYS 59 Cb 0.32 -5.24 0.00 0.00 -1.84 0.00 0.00 35.03 28.26 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 -0.70 0.43 0.05 0.72 0.00 0.31 -4.97 105.19 101.02 1x5d n GLY 60 Ca -0.16 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 0.24 -0.09 -6.56 1.61 1.63 -0.32 -3.43 116.57 109.65 1x5d h LYS 61 Ca 0.00 0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.24 1x5d h LYS 61 Cb 0.00 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.59 1x5d h LYS 61 CO 0.00 -0.06 1.02 0.08 -3.45 0.00 0.00 179.45 177.05 1x5d s VAL 62 N -1.69 4.01 -0.04 2.00 1.01 -1.26 -4.01 120.40 120.41 1x5d s VAL 62 Ca -0.01 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 1x5d s VAL 62 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1x5d s VAL 62 CO 0.04 -0.80 0.25 -0.54 0.00 0.00 0.00 175.10 174.05 1x5d s LYS 63 N 4.74 3.60 -0.17 2.72 1.02 -0.34 -4.22 119.74 127.09 1x5d s LYS 63 Ca 0.57 0.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.53 1x5d s LYS 63 Cb -0.12 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1x5d s LYS 63 CO 0.31 0.71 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.93 1x5d s LEU 64 N -1.33 3.33 0.18 3.17 1.02 -1.26 -0.22 118.68 123.56 1x5d s LEU 64 Ca 0.22 -0.13 0.06 0.00 0.02 0.00 0.00 54.13 54.30 1x5d s LEU 64 Cb -0.13 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1x5d s LEU 64 CO 0.11 0.14 -0.11 0.00 0.02 0.00 0.00 176.35 176.50 1x5d s ALA 65 N 0.57 1.75 0.13 4.21 0.00 0.04 -2.18 121.76 126.27 1x5d s ALA 65 Ca -0.01 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 50.42 1x5d s ALA 65 Cb -0.14 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1x5d s ALA 65 CO 0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 175.76 175.60 1x5d s ALA 66 N -3.17 1.58 -0.03 0.00 0.00 0.71 -0.90 121.76 119.95 1x5d s ALA 66 Ca 0.20 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1x5d s ALA 66 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1x5d s ALA 66 CO 0.04 0.13 0.10 0.08 0.00 0.00 0.00 175.76 176.11 1x5d s VAL 67 N -2.07 0.02 -0.53 0.00 1.01 -1.15 -3.10 120.40 114.58 1x5d s VAL 67 Ca 0.10 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1x5d s VAL 67 Cb -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1x5d s VAL 67 CO 0.04 -0.07 0.80 -0.62 0.00 0.00 0.00 175.10 175.24 1x5d s ASP 68 N -0.19 6.29 0.21 3.32 -1.08 -1.26 -1.15 116.67 122.81 1x5d s ASP 68 Ca -0.03 -0.59 0.11 0.00 -0.52 0.00 0.00 52.55 51.53 1x5d s ASP 68 Cb -0.02 -2.37 0.62 0.00 -1.46 0.00 0.00 42.92 39.69 1x5d s ASP 68 CO 0.00 -1.07 1.28 0.00 0.52 0.00 0.00 175.17 175.90 1x5d n ALA 69 N 6.88 0.83 0.14 3.66 0.00 -1.18 0.14 120.51 130.97 1x5d n ALA 69 Ca -0.02 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.58 1x5d n ALA 69 Cb 0.47 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 0.48 0.00 0.00 1.35 -1.90 -3.37 112.91 109.47 1x5d h THR 70 Ca 0.00 -1.73 -0.23 0.00 -0.55 0.00 0.00 66.41 63.90 1x5d h THR 70 Cb 0.26 2.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.77 1x5d h THR 70 CO 0.00 0.27 -1.88 0.52 -0.25 0.00 0.00 175.52 174.19 1x5d n VAL 71 N -3.07 0.88 -2.95 6.82 0.31 0.12 -4.91 118.33 115.53 1x5d n VAL 71 Ca 0.00 -0.43 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 1x5d n VAL 71 Cb 0.68 -0.88 -0.05 0.00 -0.91 0.00 0.00 33.84 32.68 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 -5.06 6.44 -0.17 4.52 0.01 0.70 -4.86 114.94 116.52 1x5d s ASN 72 Ca -0.14 -0.00 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1x5d s ASN 72 Cb 0.05 -2.39 -0.11 0.00 0.41 0.00 0.00 41.25 39.20 1x5d s ASN 72 CO 0.43 -0.90 -0.15 0.00 -1.51 0.00 0.00 177.10 174.98 1x5d n GLN 73 N 6.72 0.47 -0.34 -0.60 1.13 -1.26 -3.59 117.38 119.90 1x5d n GLN 73 Ca 0.03 0.10 0.07 0.00 -1.94 0.00 0.00 57.00 55.26 1x5d n GLN 73 Cb 0.48 -1.34 0.26 0.00 0.11 0.00 0.00 30.24 29.75 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 -1.95 0.15 116.25 122.55 1x5d h VAL 74 Ca -0.38 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 66.67 1x5d h VAL 74 Cb 1.60 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1x5d h VAL 74 CO -0.06 0.18 -0.81 -0.07 0.02 0.00 0.00 177.57 176.83 1x5d h LEU 75 N 0.97 0.00 -1.08 2.57 3.38 -1.90 -2.89 115.31 116.36 1x5d h LEU 75 Ca 0.47 -0.50 0.23 0.00 0.09 0.00 0.00 57.88 58.17 1x5d h LEU 75 Cb 0.46 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 1x5d h LEU 75 CO -0.23 1.22 0.61 0.00 0.09 0.00 0.00 178.44 180.13 1x5d h ALA 76 N -0.50 1.84 0.12 1.53 0.00 -1.59 0.35 119.26 121.01 1x5d h ALA 76 Ca -0.20 0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1x5d h ALA 76 Cb 1.05 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1x5d h ALA 76 CO -0.12 -0.27 -1.22 1.03 0.00 0.00 0.00 179.25 178.66 1x5d h SER 77 N 0.60 0.70 -0.27 0.00 0.87 -0.86 1.37 113.55 115.97 1x5d h SER 77 Ca 0.61 -0.67 0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1x5d h SER 77 Cb 1.18 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.85 1x5d h SER 77 CO -0.41 1.49 -0.17 -0.09 -0.53 0.00 0.00 176.83 177.12 1x5d h ARG 78 N 0.20 -0.15 0.00 2.24 2.43 -0.73 -2.94 114.38 115.44 1x5d h ARG 78 Ca -0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1x5d h ARG 78 Cb 1.90 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1x5d h ARG 78 CO 0.22 -0.10 -1.60 0.66 -1.51 0.00 0.00 179.97 177.64 1x5d n TYR 79 N -5.34 0.00 -1.49 2.20 4.01 -0.76 -5.06 117.16 110.73 1x5d n TYR 79 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x5d n TYR 79 Cb 0.25 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.37 -2.13 3.42 2.72 0.00 0.40 -5.04 105.19 105.94 1x5d n GLY 80 Ca -0.01 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.31 4.49 0.00 -0.61 -1.09 0.26 -4.86 121.20 119.09 1x5d s ILE 81 Ca 0.00 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1x5d s ILE 81 Cb 0.00 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1x5d s ILE 81 CO 0.00 0.07 0.00 -2.11 -1.23 0.00 0.00 174.94 171.67 1x5d n ARG 82 N 4.96 0.65 -3.45 2.79 -4.01 -1.26 -4.92 116.66 111.41 1x5d n ARG 82 Ca -0.14 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.24 1x5d n ARG 82 Cb 0.49 -0.64 -0.07 0.00 -3.04 0.00 0.00 32.46 29.20 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1x5d s GLY 83 N -2.29 2.05 0.18 2.89 0.00 -1.26 -5.07 107.32 103.81 1x5d s GLY 83 Ca 0.00 -2.41 0.05 0.00 0.00 0.00 0.00 44.72 42.36 1x5d s GLY 83 CO 0.00 1.11 0.19 -1.36 0.00 0.00 0.00 173.10 173.04 1x5d s PHE 84 N 1.50 3.24 0.85 1.90 0.08 -1.26 -4.12 117.98 120.16 1x5d s PHE 84 Ca 0.04 0.00 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1x5d s PHE 84 Cb -0.27 -1.54 0.10 0.00 -0.57 0.00 0.00 43.02 40.75 1x5d s PHE 84 CO 0.02 0.51 1.09 -1.25 -0.10 0.00 0.00 175.22 175.50 1x5d s PRO 85 N -3.27 1.66 -0.18 0.24 0.04 -1.26 -4.85 135.00 127.37 1x5d s PRO 85 Ca 0.32 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1x5d s PRO 85 Cb -0.10 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1x5d s PRO 85 CO 0.25 -2.00 0.10 0.99 0.04 0.00 0.00 177.00 176.37 1x5d s THR 86 N -2.92 -0.09 -0.22 1.26 2.01 -0.39 -4.96 115.64 110.33 1x5d s THR 86 Ca 0.62 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 1x5d s THR 86 Cb -0.18 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1x5d s THR 86 CO 0.57 -0.33 0.34 -0.63 -0.69 0.00 0.00 174.62 173.88 1x5d s ILE 87 N 2.14 5.23 -0.06 1.82 1.01 -1.26 -0.83 121.20 129.25 1x5d s ILE 87 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1x5d s ILE 87 Cb -0.16 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.66 1x5d s ILE 87 CO -0.12 0.25 -0.04 -0.54 0.00 0.00 0.00 174.94 174.50 1x5d s LYS 88 N 1.39 0.84 0.23 2.79 -0.14 0.24 -0.59 119.74 124.51 1x5d s LYS 88 Ca 0.16 -0.07 -0.14 0.00 -1.36 0.00 0.00 55.97 54.57 1x5d s LYS 88 Cb -0.15 -0.94 -0.08 0.00 -1.68 0.00 0.00 37.83 34.98 1x5d s LYS 88 CO 0.08 -0.15 0.62 0.42 -0.76 0.00 0.00 175.35 175.56 1x5d s ILE 89 N 1.25 4.79 -0.03 2.17 1.09 -0.41 -2.04 121.20 128.02 1x5d s ILE 89 Ca -0.06 0.80 -0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1x5d s ILE 89 Cb -0.14 -3.68 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1x5d s ILE 89 CO -0.02 0.02 0.01 -0.36 -0.10 0.00 0.00 174.94 174.49 1x5d s PHE 90 N -1.73 0.29 -0.07 3.97 0.40 -1.22 -1.79 117.98 117.82 1x5d s PHE 90 Ca 0.46 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.85 1x5d s PHE 90 Cb -0.13 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 42.98 1x5d s PHE 90 CO 0.20 -0.15 -0.18 -0.65 0.70 0.00 0.00 175.22 175.14 1x5d s GLN 91 N 1.23 2.26 -0.07 0.44 -0.21 -1.26 -3.48 119.66 118.56 1x5d s GLN 91 Ca -0.07 -0.64 -0.37 0.00 0.02 0.00 0.00 55.36 54.30 1x5d s GLN 91 Cb -0.13 -1.80 -0.15 0.00 1.00 0.00 0.00 33.01 31.93 1x5d s GLN 91 CO -0.02 0.14 1.61 1.17 -2.12 0.00 0.00 175.29 176.06 1x5d n LYS 92 N 3.56 1.44 0.00 2.91 4.81 -1.26 -1.17 118.16 128.44 1x5d n LYS 92 Ca -0.20 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1x5d n LYS 92 Cb 0.52 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1x5d n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5d n GLY 93 N 3.57 1.07 3.82 3.14 0.00 -1.26 -4.95 105.19 110.59 1x5d n GLY 93 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 2.46 0.14 1.61 2.02 -0.31 -5.03 118.70 119.58 1x5d s GLU 94 Ca 0.00 0.68 -0.24 0.00 0.02 0.00 0.00 54.97 55.43 1x5d s GLU 94 Cb 0.00 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.20 1x5d s GLU 94 CO 0.00 -1.37 0.74 0.45 0.02 0.00 0.00 175.26 175.10 1x5d s SER 95 N -3.97 7.32 0.63 -0.19 0.15 -1.26 -4.35 113.70 112.03 1x5d s SER 95 Ca 0.59 1.56 -0.16 0.00 0.70 0.00 0.00 55.95 58.65 1x5d s SER 95 Cb -0.14 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1x5d s SER 95 CO 0.54 0.20 1.12 -2.16 1.20 0.00 0.00 173.24 174.14 1x5d s PRO 96 N -1.04 2.96 0.32 5.44 0.04 -1.26 -4.67 135.00 136.79 1x5d s PRO 96 Ca 0.35 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.87 1x5d s PRO 96 Cb -0.22 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1x5d s PRO 96 CO 0.25 -1.13 0.08 0.14 0.04 0.00 0.00 177.00 176.37 1x5d s VAL 97 N -2.18 0.95 -0.25 -0.36 -7.23 -0.74 -4.98 120.40 105.62 1x5d s VAL 97 Ca 0.69 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1x5d s VAL 97 Cb -0.21 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1x5d s VAL 97 CO 0.37 0.00 -0.03 1.51 -0.31 0.00 0.00 175.10 176.65 1x5d s ASP 98 N -3.47 4.47 -0.07 4.85 -4.77 -1.26 -1.29 116.67 115.13 1x5d s ASP 98 Ca 0.35 -0.67 -0.26 0.00 -3.30 0.00 0.00 52.55 48.67 1x5d s ASP 98 Cb 0.08 -1.73 -0.03 0.00 -1.09 0.00 0.00 42.92 40.14 1x5d s ASP 98 CO 0.15 -0.10 0.81 -0.47 0.70 0.00 0.00 175.17 176.25 1x5d s TYR 99 N 1.42 3.57 -0.53 2.11 5.04 0.25 -4.98 117.35 124.23 1x5d s TYR 99 Ca 0.03 1.38 0.07 0.00 -2.44 0.00 0.00 57.07 56.11 1x5d s TYR 99 Cb -0.16 -2.94 0.30 0.00 0.35 0.00 0.00 41.96 39.51 1x5d s TYR 99 CO -0.03 -0.00 0.77 -3.47 -1.34 0.00 0.00 175.55 171.48 1x5d n ASP 100 N 4.08 2.80 -1.75 4.32 2.03 -1.26 -4.26 116.55 122.52 1x5d n ASP 100 Ca 0.02 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1x5d n ASP 100 Cb 0.51 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1x5d n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5d n GLY 101 N 0.50 1.30 1.71 0.27 0.00 -1.26 -4.97 105.19 102.75 1x5d n GLY 101 Ca 0.28 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 5.00 2.79 2.37 -0.02 0.00 -1.26 -4.91 105.19 109.16 1x5d n GLY 102 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 1x5d n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5d n ARG 103 N 0.88 -1.68 -5.15 1.61 1.74 -1.26 -4.95 116.66 107.85 1x5d n ARG 103 Ca 0.26 0.91 -0.29 0.00 -0.77 0.00 0.00 57.85 57.96 1x5d n ARG 103 Cb 1.02 -5.40 -0.16 0.00 -1.02 0.00 0.00 32.46 26.90 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5d s THR 104 N -2.66 1.83 0.41 0.55 -4.23 -1.26 -4.79 115.64 105.49 1x5d s THR 104 Ca 0.00 -0.99 0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1x5d s THR 104 Cb 0.00 -1.52 0.42 0.00 1.34 0.00 0.00 72.50 72.74 1x5d s THR 104 CO 0.00 0.52 1.72 0.08 -0.54 0.00 0.00 174.62 176.40 1x5d h ARG 105 N 5.63 0.27 -0.02 3.99 0.11 -1.81 0.23 114.38 122.78 1x5d h ARG 105 Ca -0.40 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 59.70 1x5d h ARG 105 Cb 1.14 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 32.11 1x5d h ARG 105 CO 0.47 0.18 -0.21 1.03 0.10 0.00 0.00 179.97 181.55 1x5d h SER 106 N 0.28 -0.62 0.05 0.08 0.87 -1.95 0.12 113.55 112.38 1x5d h SER 106 Ca 0.67 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1x5d h SER 106 Cb 1.87 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 64.10 1x5d h SER 106 CO -0.35 -0.27 -0.02 0.44 -0.53 0.00 0.00 176.83 176.10 1x5d h ASP 107 N -0.32 -0.05 -0.93 6.23 3.32 -1.31 -2.42 116.42 120.94 1x5d h ASP 107 Ca 0.07 -0.61 0.25 0.00 0.02 0.00 0.00 57.03 56.76 1x5d h ASP 107 Cb 0.41 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 39.84 1x5d h ASP 107 CO -0.21 0.66 0.42 0.40 -1.72 0.00 0.00 179.24 178.79 1x5d h ILE 108 N -0.85 0.39 -0.05 0.35 2.04 -0.64 -0.26 117.51 118.48 1x5d h ILE 108 Ca -0.01 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1x5d h ILE 108 Cb 0.66 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1x5d h ILE 108 CO 0.01 0.06 -0.15 0.58 0.00 0.00 0.00 178.15 178.65 1x5d h VAL 109 N 0.35 1.44 -0.89 1.67 2.07 -0.83 -2.56 116.25 117.49 1x5d h VAL 109 Ca 0.61 -1.53 0.24 0.00 0.82 0.00 0.00 66.70 66.85 1x5d h VAL 109 Cb 1.25 2.31 -0.14 0.00 -1.52 0.00 0.00 31.29 33.18 1x5d h VAL 109 CO -0.58 0.42 0.26 -1.28 0.02 0.00 0.00 177.57 176.41 1x5d h SER 110 N -0.33 0.03 0.13 0.57 0.87 -0.54 -1.02 113.55 113.27 1x5d h SER 110 Ca -0.00 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1x5d h SER 110 Cb 0.76 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1x5d h SER 110 CO 0.03 -0.16 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.02 1x5d h ARG 111 N 0.21 -0.17 -1.95 2.24 1.12 -1.40 -3.14 114.38 111.29 1x5d h ARG 111 Ca 0.57 0.01 0.57 0.00 -1.11 0.00 0.00 59.98 60.02 1x5d h ARG 111 Cb 1.16 0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 31.07 1x5d h ARG 111 CO -0.66 0.29 1.39 0.00 -3.11 0.00 0.00 179.97 177.88 1x5d h ALA 112 N -0.06 3.81 0.11 2.80 0.00 -0.77 1.82 119.26 126.97 1x5d h ALA 112 Ca -0.02 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 1x5d h ALA 112 Cb 0.54 0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1x5d h ALA 112 CO 0.03 -2.39 -1.21 -0.07 0.00 0.00 0.00 179.25 175.61 1x5d h LEU 113 N 0.00 0.78 -1.92 0.00 3.38 -1.37 -0.74 115.31 115.44 1x5d h LEU 113 Ca 0.94 -0.72 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1x5d h LEU 113 Cb 3.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 44.22 1x5d h LEU 113 CO -0.05 1.53 0.23 0.44 0.09 0.00 0.00 178.44 180.69 1x5d h ASP 114 N 0.25 0.08 0.17 -0.43 5.19 0.28 -2.34 116.42 119.62 1x5d h ASP 114 Ca -0.17 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.89 1x5d h ASP 114 Cb 1.88 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 41.33 1x5d h ASP 114 CO 0.22 0.05 -2.09 0.18 -3.12 0.00 0.00 179.24 174.48 1x5d n LEU 115 N -4.46 1.88 -0.06 1.55 4.77 -1.01 -4.14 117.00 115.52 1x5d n LEU 115 Ca 0.05 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1x5d n LEU 115 Cb 0.34 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1x5d n LEU 115 CO 0.35 0.70 0.56 0.15 -1.33 0.00 0.00 177.39 177.83 1x5d h PHE 116 N 0.03 -1.32 -0.01 -1.77 3.57 -0.60 -2.28 116.94 114.56 1x5d h PHE 116 Ca -0.44 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.15 1x5d h PHE 116 Cb 2.03 0.61 -0.05 0.00 2.79 0.00 0.00 35.95 41.33 1x5d h PHE 116 CO 0.04 -0.47 -0.36 1.03 -2.23 0.00 0.00 178.31 176.31 1x5d h SER 117 N -0.43 -1.08 -0.79 0.41 0.87 -1.67 0.60 113.55 111.46 1x5d h SER 117 Ca 0.09 0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.90 1x5d h SER 117 Cb 0.62 0.43 -0.12 0.00 -0.44 0.00 0.00 62.40 62.89 1x5d h SER 117 CO -0.49 -0.41 -0.35 0.47 -0.53 0.00 0.00 176.83 175.52 1x5d n ASP 118 N -5.43 -0.61 0.00 6.23 8.00 -0.88 -3.32 116.55 120.54 1x5d n ASP 118 Ca -0.05 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.83 1x5d n ASP 118 Cb 0.34 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1x5d n ASP 118 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x5d n ASN 119 N -5.11 0.00 -4.62 -2.24 0.23 -0.93 -4.91 115.26 97.67 1x5d n ASN 119 Ca 0.06 0.19 -0.44 0.00 -0.53 0.00 0.00 54.58 53.86 1x5d n ASN 119 Cb 0.28 -0.26 -0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5d n ALA 120 N -1.48 0.21 -2.10 -2.53 0.00 0.20 -4.86 120.51 109.95 1x5d n ALA 120 Ca 0.00 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1x5d n ALA 120 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.67 3.59 0.92 0.00 0.04 -1.26 -4.28 135.00 132.34 1x5d s PRO 121 Ca 0.58 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x5d s PRO 121 Cb -0.66 -4.09 0.14 0.00 0.04 0.00 0.00 34.50 29.93 1x5d s PRO 121 CO 0.60 -1.54 1.09 -1.25 0.04 0.00 0.00 177.00 175.94 1x5d s PRO 122 N 5.08 1.03 0.88 0.56 0.04 -1.26 -5.03 135.00 136.30 1x5d s PRO 122 Ca 0.73 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1x5d s PRO 122 Cb -0.22 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.65 1x5d s PRO 122 CO 0.31 -2.37 1.09 -1.25 0.04 0.00 0.00 177.00 174.82 1x5d s PRO 123 N -4.95 1.36 -0.74 0.56 0.04 -1.26 -4.84 135.00 125.19 1x5d s PRO 123 Ca 0.64 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 1x5d s PRO 123 Cb -0.18 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 1x5d s PRO 123 CO 0.57 -2.18 2.41 -1.91 0.04 0.00 0.00 177.00 175.93 1x5d n GLU 124 N -3.85 0.60 -3.43 4.56 0.00 -1.26 -4.82 120.64 112.45 1x5d n GLU 124 Ca 0.07 -0.43 -0.12 0.00 0.00 0.00 0.00 57.16 56.68 1x5d n GLU 124 Cb 0.55 -3.16 -0.02 0.00 0.00 0.00 0.00 31.44 28.81 1x5d n GLU 124 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1x5d s LEU 125 N 11.95 -0.58 -0.80 4.31 0.05 -1.26 -5.06 118.68 127.30 1x5d s LEU 125 Ca 1.02 0.05 -0.19 0.00 0.05 0.00 0.00 54.13 55.06 1x5d s LEU 125 Cb -0.31 2.59 -0.18 0.00 -2.05 0.00 0.00 46.19 46.24 1x5d s LEU 125 CO 0.22 -0.94 2.04 0.18 -0.55 0.00 0.00 176.35 177.30 1x5d n LEU 126 N -0.29 0.50 -4.18 1.48 4.32 -1.26 -4.85 117.00 112.72 1x5d n LEU 126 Ca -0.17 -1.68 -0.37 0.00 -0.02 0.00 0.00 56.01 53.77 1x5d n LEU 126 Cb 0.64 -1.34 0.04 0.00 -1.62 0.00 0.00 43.42 41.14 1x5d n LEU 126 CO 0.13 -2.65 -0.83 -0.62 -1.22 0.00 0.00 177.39 172.19 1x5d n GLU 127 N 7.35 0.03 -3.53 3.23 4.71 -1.26 -5.00 120.64 126.17 1x5d n GLU 127 Ca 0.41 0.02 -0.07 0.00 -0.01 0.00 0.00 57.16 57.50 1x5d n GLU 127 Cb 0.41 -1.16 -0.02 0.00 -1.01 0.00 0.00 31.44 29.66 1x5d n GLU 127 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1x5d s SER 128 N -1.12 -0.31 0.00 1.62 1.04 -1.26 -5.12 113.70 108.54 1x5d s SER 128 Ca 0.50 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1x5d s SER 128 Cb -0.32 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1x5d s SER 128 CO 0.73 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1x5d n GLY 129 N -0.22 0.49 0.09 7.32 0.00 -1.26 -4.94 105.19 106.67 1x5d n GLY 129 Ca -0.07 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1x5d n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5d n PRO 130 N 0.00 0.13 -2.67 1.61 -0.04 -1.26 -4.71 135.00 128.06 1x5d n PRO 130 Ca 0.00 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 1x5d n PRO 130 Cb 0.00 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1x5d n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5d s SER 131 N -3.84 7.27 -0.29 3.54 0.01 -1.26 -5.01 113.70 114.12 1x5d s SER 131 Ca 0.05 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.77 1x5d s SER 131 Cb 0.09 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.90 1x5d s SER 131 CO 0.34 -0.40 0.90 -0.55 0.41 0.00 0.00 173.24 173.95 1x5d s SER 132 N 1.10 -0.67 0.00 2.44 0.15 -1.26 -5.05 113.70 110.40 1x5d s SER 132 Ca 0.50 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1x5d s SER 132 Cb -0.20 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1x5d s SER 132 CO 0.22 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.12