#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5c h SER 2 N 0.00 -0.62 -2.40 1.61 0.02 -2.14 -3.41 113.55 106.62 1x5c h SER 2 Ca 0.00 0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.41 1x5c h SER 2 Cb 0.00 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1x5c h SER 2 CO 0.00 -0.30 1.35 -0.44 -1.14 0.00 0.00 176.83 176.29 1x5c s SER 3 N -4.09 5.65 0.00 3.07 0.01 -1.26 -4.94 113.70 112.14 1x5c s SER 3 Ca -0.11 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1x5c s SER 3 Cb 0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x5c s SER 3 CO 0.32 -1.90 0.00 0.61 0.41 0.00 0.00 173.24 172.68 1x5c n GLY 4 N 5.55 0.71 3.90 3.44 0.00 -1.26 -5.05 105.19 112.48 1x5c n GLY 4 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1x5c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5c s SER 5 N -1.00 6.34 -0.11 1.61 0.15 -1.26 -5.09 113.70 114.33 1x5c s SER 5 Ca 0.00 0.92 0.03 0.00 0.70 0.00 0.00 55.95 57.60 1x5c s SER 5 Cb 0.00 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1x5c s SER 5 CO 0.00 -0.48 -0.22 -0.94 1.20 0.00 0.00 173.24 172.80 1x5c s SER 6 N -3.81 2.96 -0.28 5.45 1.04 -1.26 -5.11 113.70 112.69 1x5c s SER 6 Ca 0.47 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 1x5c s SER 6 Cb -0.10 -1.36 0.10 0.00 0.10 0.00 0.00 66.02 64.76 1x5c s SER 6 CO 0.40 0.11 0.85 -0.83 0.98 0.00 0.00 173.24 174.75 1x5c s GLY 7 N 0.60 -0.36 -0.02 7.32 0.00 -1.26 -5.06 107.32 108.53 1x5c s GLY 7 Ca -0.13 2.45 -0.26 0.00 0.00 0.00 0.00 44.72 46.78 1x5c s GLY 7 CO 0.04 2.00 1.26 -0.56 0.00 0.00 0.00 173.10 175.84 1x5c h PRO 8 N 5.22 -0.00 -5.96 2.90 0.13 -1.88 -3.45 132.00 128.96 1x5c h PRO 8 Ca -0.29 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.15 1x5c h PRO 8 Cb 1.18 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1x5c h PRO 8 CO 0.11 0.48 -0.87 0.54 -0.23 0.00 0.00 178.00 178.03 1x5c s VAL 9 N -4.26 2.21 0.39 1.56 0.11 -1.26 -2.74 120.40 116.41 1x5c s VAL 9 Ca -0.16 -1.01 -0.25 0.00 -2.93 0.00 0.00 61.98 57.64 1x5c s VAL 9 Cb 0.02 -1.82 -0.09 0.00 -1.53 0.00 0.00 36.38 32.96 1x5c s VAL 9 CO 0.67 0.57 1.08 -0.75 -3.33 0.00 0.00 175.10 173.34 1x5c s LYS 10 N -0.15 4.18 -0.27 1.54 2.36 -0.75 -4.84 119.74 121.82 1x5c s LYS 10 Ca -0.04 1.60 -0.09 0.00 -2.55 0.00 0.00 55.97 54.90 1x5c s LYS 10 Cb -0.14 -2.63 -0.03 0.00 -1.05 0.00 0.00 37.83 33.98 1x5c s LYS 10 CO 0.04 -0.15 0.12 0.08 1.55 0.00 0.00 175.35 176.99 1x5c s VAL 11 N -1.56 4.66 0.13 4.02 1.01 -1.26 0.17 120.40 127.57 1x5c s VAL 11 Ca 0.56 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1x5c s VAL 11 Cb -0.25 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1x5c s VAL 11 CO 0.31 0.27 0.36 -0.76 0.00 0.00 0.00 175.10 175.28 1x5c s LEU 12 N 1.66 4.28 0.26 3.92 1.43 0.21 -4.93 118.68 125.50 1x5c s LEU 12 Ca 0.06 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 1x5c s LEU 12 Cb -0.16 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1x5c s LEU 12 CO 0.06 0.07 -0.05 0.68 0.23 0.00 0.00 176.35 177.34 1x5c s VAL 13 N -1.62 1.49 -2.00 -1.59 -7.23 -1.26 -4.51 120.40 103.67 1x5c s VAL 13 Ca 0.40 -2.11 0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1x5c s VAL 13 Cb -0.12 -2.36 0.39 0.00 0.56 0.00 0.00 36.38 34.84 1x5c s VAL 13 CO 0.24 -0.35 1.23 0.61 -0.31 0.00 0.00 175.10 176.53 1x5c n GLY 14 N -0.51 -0.45 0.13 2.32 0.00 -1.26 0.10 105.19 105.52 1x5c n GLY 14 Ca -0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1x5c n GLY 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5c n LYS 15 N -0.98 0.66 -0.86 1.61 4.81 -1.26 -4.61 118.16 117.53 1x5c n LYS 15 Ca 0.10 0.24 0.05 0.00 -0.87 0.00 0.00 58.31 57.84 1x5c n LYS 15 Cb 0.05 -1.58 0.12 0.00 0.02 0.00 0.00 35.03 33.64 1x5c n LYS 15 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1x5c n ASN 16 N -3.62 1.41 0.43 3.14 6.94 -1.08 -4.87 115.26 117.61 1x5c n ASN 16 Ca -0.43 -3.04 -0.19 0.00 -0.02 0.00 0.00 54.58 50.90 1x5c n ASN 16 Cb 0.95 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.86 1x5c n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x5c h PHE 17 N 0.84 -1.24 -0.55 -2.53 3.57 0.42 -2.59 116.94 114.86 1x5c h PHE 17 Ca -0.08 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1x5c h PHE 17 Cb 1.34 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.49 1x5c h PHE 17 CO 0.44 -0.71 0.30 0.93 -2.23 0.00 0.00 178.31 177.05 1x5c h GLU 18 N -1.17 0.76 -1.00 1.11 5.08 -1.89 0.31 114.58 117.78 1x5c h GLU 18 Ca -0.11 -0.08 0.18 0.00 -1.00 0.00 0.00 59.36 58.35 1x5c h GLU 18 Cb 0.93 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.93 1x5c h GLU 18 CO 0.12 0.56 0.62 -0.44 -1.00 0.00 0.00 179.01 178.87 1x5c h ASP 19 N 0.77 0.79 0.00 1.42 5.19 -1.78 0.12 116.42 122.94 1x5c h ASP 19 Ca 0.20 0.08 -0.24 0.00 -0.62 0.00 0.00 57.03 56.45 1x5c h ASP 19 Cb 0.02 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.43 1x5c h ASP 19 CO -0.03 0.31 -1.51 0.52 -3.12 0.00 0.00 179.24 175.41 1x5c n VAL 20 N -4.71 1.51 0.11 -1.35 0.31 -0.86 -4.61 118.33 108.72 1x5c n VAL 20 Ca 0.22 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1x5c n VAL 20 Cb 0.54 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 1x5c n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5c h ALA 21 N -0.79 -0.88 -1.07 3.52 0.00 -0.34 -3.30 119.26 116.40 1x5c h ALA 21 Ca -0.37 -0.08 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 1x5c h ALA 21 Cb 1.24 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 1x5c h ALA 21 CO -0.22 -0.94 1.73 -0.06 0.00 0.00 0.00 179.25 179.76 1x5c s PHE 22 N -4.62 2.67 0.02 0.00 0.08 0.43 -4.58 117.98 111.99 1x5c s PHE 22 Ca -0.10 -1.19 0.06 0.00 0.12 0.00 0.00 56.93 55.82 1x5c s PHE 22 Cb 0.03 -4.69 -0.02 0.00 -0.57 0.00 0.00 43.02 37.77 1x5c s PHE 22 CO 0.35 -1.86 -0.18 0.34 -0.10 0.00 0.00 175.22 173.78 1x5c s ASP 23 N 4.59 2.07 0.30 1.36 2.15 -1.24 -4.66 116.67 121.24 1x5c s ASP 23 Ca 0.48 -0.41 -0.17 0.00 0.43 0.00 0.00 52.55 52.88 1x5c s ASP 23 Cb 0.01 -0.19 -0.09 0.00 -0.30 0.00 0.00 42.92 42.35 1x5c s ASP 23 CO -0.03 0.15 0.75 -1.83 -0.17 0.00 0.00 175.17 174.04 1x5c s GLU 24 N -0.84 4.09 -1.82 4.34 -1.05 -1.25 -3.85 118.70 118.32 1x5c s GLU 24 Ca 0.06 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.63 1x5c s GLU 24 Cb -0.08 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1x5c s GLU 24 CO 0.01 0.21 0.00 1.63 0.95 0.00 0.00 175.26 178.05 1x5c n LYS 25 N -0.09 -1.67 -3.65 -4.83 4.76 -1.09 -4.95 118.16 106.64 1x5c n LYS 25 Ca 0.02 1.03 -0.04 0.00 -2.87 0.00 0.00 58.31 56.45 1x5c n LYS 25 Cb 0.53 -5.69 -0.06 0.00 -1.84 0.00 0.00 35.03 27.97 1x5c n LYS 25 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1x5c s LYS 26 N -4.99 0.50 -0.86 1.97 2.47 -1.25 -4.79 119.74 112.79 1x5c s LYS 26 Ca 0.00 1.27 -0.18 0.00 -1.56 0.00 0.00 55.97 55.50 1x5c s LYS 26 Cb 0.00 0.59 0.14 0.00 -1.46 0.00 0.00 37.83 37.10 1x5c s LYS 26 CO 0.00 -0.21 1.02 -0.80 0.16 0.00 0.00 175.35 175.52 1x5c s ASN 27 N 2.61 6.57 -0.03 1.43 0.01 0.39 -3.57 114.94 122.36 1x5c s ASN 27 Ca -0.05 -2.01 -0.19 0.00 -0.71 0.00 0.00 52.86 49.91 1x5c s ASN 27 Cb -0.11 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 1x5c s ASN 27 CO -0.17 -1.02 0.52 -0.69 -1.51 0.00 0.00 177.10 174.23 1x5c s VAL 28 N 2.39 4.99 -0.40 1.60 1.01 -0.64 -1.64 120.40 127.71 1x5c s VAL 28 Ca 0.27 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 1x5c s VAL 28 Cb -0.08 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.55 1x5c s VAL 28 CO -0.06 0.44 0.18 0.12 0.00 0.00 0.00 175.10 175.77 1x5c s PHE 29 N -0.24 3.62 0.54 5.22 5.36 0.15 -0.77 117.98 131.88 1x5c s PHE 29 Ca 0.28 -2.60 -0.09 0.00 -0.96 0.00 0.00 56.93 53.56 1x5c s PHE 29 Cb -0.17 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 1x5c s PHE 29 CO 0.15 -0.96 0.91 0.08 -1.46 0.00 0.00 175.22 173.94 1x5c s VAL 30 N 1.00 4.79 -0.23 3.12 1.01 -1.01 -1.86 120.40 127.22 1x5c s VAL 30 Ca 0.09 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1x5c s VAL 30 Cb -0.22 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.39 1x5c s VAL 30 CO -0.05 -0.96 0.11 -0.70 0.00 0.00 0.00 175.10 173.50 1x5c s GLU 31 N -4.85 0.17 -0.67 2.72 2.12 -0.84 -2.68 118.70 114.67 1x5c s GLU 31 Ca 0.52 -0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.24 1x5c s GLU 31 Cb -0.11 -1.54 0.03 0.00 0.26 0.00 0.00 34.13 32.78 1x5c s GLU 31 CO 0.47 -0.84 1.22 -0.06 -0.54 0.00 0.00 175.26 175.52 1x5c s PHE 32 N 2.09 2.43 0.45 5.30 0.08 0.24 -2.35 117.98 126.22 1x5c s PHE 32 Ca 0.05 0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.27 1x5c s PHE 32 Cb -0.16 -4.55 -0.01 0.00 -0.57 0.00 0.00 43.02 37.73 1x5c s PHE 32 CO -0.22 -1.86 0.37 1.52 -0.10 0.00 0.00 175.22 174.93 1x5c s TYR 33 N 5.32 2.37 -0.03 0.36 -0.85 -1.05 -0.28 117.35 123.20 1x5c s TYR 33 Ca 0.37 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1x5c s TYR 33 Cb -0.08 -2.08 -0.00 0.00 0.38 0.00 0.00 41.96 40.18 1x5c s TYR 33 CO 0.19 -0.20 -0.15 0.00 -1.52 0.00 0.00 175.55 173.87 1x5c s ALA 34 N -2.58 1.29 -1.70 9.51 0.00 -1.26 -3.31 121.76 123.71 1x5c s ALA 34 Ca 0.44 -0.59 0.15 0.00 0.00 0.00 0.00 51.96 51.97 1x5c s ALA 34 Cb -0.02 -0.41 0.83 0.00 0.00 0.00 0.00 23.12 23.52 1x5c s ALA 34 CO 0.26 0.25 1.38 -0.35 0.00 0.00 0.00 175.76 177.29 1x5c n PRO 35 N 3.08 0.34 0.00 0.00 -0.04 -1.26 -2.68 135.00 134.44 1x5c n PRO 35 Ca -0.17 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1x5c n PRO 35 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1x5c n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5c n TRP 36 N -1.15 0.00 -1.69 0.54 4.27 -1.26 -5.02 117.44 113.13 1x5c n TRP 36 Ca 0.09 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.28 1x5c n TRP 36 Cb 0.09 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.01 1x5c n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5c h GLY 38 N 9.76 0.83 1.64 0.00 0.00 -1.94 -2.20 103.07 111.15 1x5c h GLY 38 Ca -0.48 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.53 1x5c h GLY 38 CO 0.94 0.33 0.20 0.45 0.00 0.00 0.00 176.54 178.47 1x5c h HIS 39 N 0.78 0.32 0.13 5.60 3.86 -1.91 -2.59 115.15 121.35 1x5c h HIS 39 Ca 0.21 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1x5c h HIS 39 Cb -0.03 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1x5c h HIS 39 CO -0.02 0.20 -0.06 0.00 0.86 0.00 0.00 177.93 178.90 1x5c h LYS 41 N -0.28 0.00 0.00 0.00 1.57 -1.32 1.54 116.57 118.08 1x5c h LYS 41 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1x5c h LYS 41 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1x5c h LYS 41 CO 0.03 0.00 -1.63 1.04 -0.57 0.00 0.00 179.45 178.32 1x5c n GLN 42 N -3.25 0.64 0.15 3.15 6.02 -0.83 -4.01 117.38 119.25 1x5c n GLN 42 Ca 0.11 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.37 1x5c n GLN 42 Cb 0.98 -1.73 0.22 0.00 1.02 0.00 0.00 30.24 30.73 1x5c n GLN 42 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1x5c h LEU 43 N 0.00 0.00 -0.20 1.08 5.85 0.27 -3.32 115.31 118.98 1x5c h LEU 43 Ca -0.21 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.54 1x5c h LEU 43 Cb 1.64 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.60 1x5c h LEU 43 CO 0.04 0.01 -0.29 0.00 -0.34 0.00 0.00 178.44 177.86 1x5c h ALA 44 N 2.22 -0.26 -0.03 1.25 0.00 -1.00 0.50 119.26 121.94 1x5c h ALA 44 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x5c h ALA 44 Cb 0.89 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1x5c h ALA 44 CO 0.00 -0.74 -0.03 -1.00 0.00 0.00 0.00 179.25 177.48 1x5c h PRO 45 N -0.32 0.08 -1.00 0.00 0.13 -1.81 -1.80 132.00 127.27 1x5c h PRO 45 Ca 0.12 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.29 1x5c h PRO 45 Cb 0.51 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.57 1x5c h PRO 45 CO -0.39 0.54 0.64 0.82 -0.23 0.00 0.00 178.00 179.38 1x5c h ILE 46 N -0.39 1.05 -0.19 -3.56 2.04 -1.62 0.26 117.51 115.10 1x5c h ILE 46 Ca 0.01 -0.39 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 1x5c h ILE 46 Cb 0.53 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1x5c h ILE 46 CO 0.01 0.21 -0.57 -0.25 0.00 0.00 0.00 178.15 177.55 1x5c h TRP 47 N 1.14 0.76 0.00 1.37 2.91 -0.01 -2.40 115.95 119.71 1x5c h TRP 47 Ca 0.44 -0.28 -0.12 0.00 1.13 0.00 0.00 58.89 60.07 1x5c h TRP 47 Cb 0.23 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1x5c h TRP 47 CO -0.00 1.03 -0.58 0.22 -1.03 0.00 0.00 178.44 178.07 1x5c h ASP 48 N 0.46 0.00 0.73 2.65 1.82 -0.40 -1.19 116.42 120.49 1x5c h ASP 48 Ca 0.00 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.47 1x5c h ASP 48 Cb 1.13 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1x5c h ASP 48 CO 0.11 0.58 -0.80 0.11 -1.61 0.00 0.00 179.24 177.63 1x5c h LYS 49 N 0.00 0.05 0.11 0.28 1.57 -0.42 -3.07 116.57 115.09 1x5c h LYS 49 Ca -0.01 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.43 1x5c h LYS 49 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1x5c h LYS 49 CO 0.08 0.82 -1.40 1.25 -0.57 0.00 0.00 179.45 179.62 1x5c h LEU 50 N 0.03 0.35 -0.97 2.94 5.85 -1.31 -3.31 115.31 118.89 1x5c h LEU 50 Ca -0.02 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1x5c h LEU 50 Cb 1.41 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1x5c h LEU 50 CO 0.11 1.36 0.34 1.23 -0.34 0.00 0.00 178.44 181.14 1x5c h GLY 51 N 1.83 1.15 2.00 3.75 0.00 -1.25 -1.92 103.07 108.63 1x5c h GLY 51 Ca -0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 1x5c h GLY 51 CO 0.17 0.55 -0.13 1.05 0.00 0.00 0.00 176.54 178.18 1x5c h GLU 52 N 1.06 0.00 -0.03 4.80 4.11 -1.41 0.26 114.58 123.37 1x5c h GLU 52 Ca 0.25 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.54 1x5c h GLU 52 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1x5c h GLU 52 CO -0.03 0.13 -0.65 1.15 0.07 0.00 0.00 179.01 179.68 1x5c h THR 53 N 0.00 1.43 0.00 -1.06 2.02 -1.44 -3.24 112.91 110.63 1x5c h THR 53 Ca -0.00 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 1x5c h THR 53 Cb 0.47 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1x5c h THR 53 CO 0.02 0.63 -0.52 -1.22 0.37 0.00 0.00 175.52 174.79 1x5c n TYR 54 N -3.80 0.00 0.09 3.16 4.02 -0.95 -4.70 117.16 114.97 1x5c n TYR 54 Ca -0.02 -1.44 -0.05 0.00 -0.01 0.00 0.00 57.90 56.38 1x5c n TYR 54 Cb 0.65 -0.24 -0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1x5c n TYR 54 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1x5c h LYS 55 N 0.99 0.03 -0.22 -0.72 2.10 -0.98 -3.24 116.57 114.52 1x5c h LYS 55 Ca -0.01 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 1x5c h LYS 55 Cb 1.05 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 1x5c h LYS 55 CO 0.01 0.86 -0.04 -0.40 -2.00 0.00 0.00 179.45 177.87 1x5c n ASP 56 N -3.55 3.12 -3.17 7.07 5.75 -1.26 -5.01 116.55 119.49 1x5c n ASP 56 Ca -0.01 -3.27 -0.19 0.00 -0.01 0.00 0.00 54.79 51.31 1x5c n ASP 56 Cb 0.81 -0.55 0.17 0.00 -1.03 0.00 0.00 41.12 40.52 1x5c n ASP 56 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1x5c n HIS 57 N -0.89 -3.49 -0.13 2.11 -0.00 -1.22 -5.03 115.22 106.57 1x5c n HIS 57 Ca 0.23 -0.61 -0.26 0.00 0.46 0.00 0.00 57.72 57.54 1x5c n HIS 57 Cb 0.87 -0.74 -0.09 0.00 -0.12 0.00 0.00 29.99 29.91 1x5c n HIS 57 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1x5c n GLU 58 N -3.79 0.53 -0.02 1.57 0.28 -1.26 -4.81 120.64 113.15 1x5c n GLU 58 Ca 0.10 0.23 -0.01 0.00 -0.16 0.00 0.00 57.16 57.31 1x5c n GLU 58 Cb 0.38 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 1x5c n GLU 58 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1x5c n ASN 59 N -4.06 4.09 -4.59 -1.84 0.23 -1.26 -4.93 115.26 102.89 1x5c n ASN 59 Ca -0.49 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.13 1x5c n ASN 59 Cb 0.86 0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 39.21 1x5c n ASN 59 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1x5c s ILE 60 N -2.12 4.32 -0.17 1.53 1.01 -1.26 0.15 121.20 124.67 1x5c s ILE 60 Ca -0.02 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.75 1x5c s ILE 60 Cb 0.01 -4.53 0.03 0.00 0.01 0.00 0.00 42.46 37.99 1x5c s ILE 60 CO 0.15 -0.90 -0.10 -0.69 0.00 0.00 0.00 174.94 173.40 1x5c s VAL 61 N 4.16 1.44 0.04 2.92 1.01 -0.65 -4.29 120.40 125.02 1x5c s VAL 61 Ca 0.44 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1x5c s VAL 61 Cb -0.08 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 1x5c s VAL 61 CO 0.29 0.27 0.64 -0.63 0.00 0.00 0.00 175.10 175.67 1x5c s ILE 62 N 1.51 4.77 0.05 2.22 -1.09 -1.26 -0.67 121.20 126.73 1x5c s ILE 62 Ca 0.02 1.35 -0.10 0.00 -2.23 0.00 0.00 60.65 59.69 1x5c s ILE 62 Cb -0.14 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1x5c s ILE 62 CO -0.09 0.46 0.21 0.00 -1.23 0.00 0.00 174.94 174.28 1x5c s ALA 63 N -0.51 -0.38 0.04 9.38 0.00 -0.78 -1.81 121.76 127.70 1x5c s ALA 63 Ca 0.32 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1x5c s ALA 63 Cb -0.19 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1x5c s ALA 63 CO 0.20 -0.39 -0.14 -1.59 0.00 0.00 0.00 175.76 173.83 1x5c s LYS 64 N -2.75 0.96 0.03 0.00 -2.85 0.13 -1.98 119.74 113.28 1x5c s LYS 64 Ca -0.04 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.97 54.14 1x5c s LYS 64 Cb -0.00 -0.98 -0.02 0.00 -2.06 0.00 0.00 37.83 34.77 1x5c s LYS 64 CO -0.05 0.24 0.00 1.41 0.10 0.00 0.00 175.35 177.06 1x5c s MET 65 N -1.15 0.42 -0.50 1.78 1.75 -0.99 -0.62 119.30 119.98 1x5c s MET 65 Ca 0.02 -0.71 -0.16 0.00 -1.25 0.00 0.00 55.69 53.59 1x5c s MET 65 Cb -0.08 0.15 0.10 0.00 2.84 0.00 0.00 34.83 37.84 1x5c s MET 65 CO 0.01 -0.08 0.44 0.34 -0.65 0.00 0.00 175.02 175.09 1x5c s ASP 66 N -1.79 6.16 0.52 1.11 -1.08 -1.26 -2.52 116.67 117.80 1x5c s ASP 66 Ca -0.11 -1.55 0.28 0.00 -0.52 0.00 0.00 52.55 50.65 1x5c s ASP 66 Cb -0.06 -2.19 1.39 0.00 -1.46 0.00 0.00 42.92 40.60 1x5c s ASP 66 CO -0.03 -0.75 2.04 -1.28 0.52 0.00 0.00 175.17 175.67 1x5c h SER 67 N 8.82 0.00 0.87 -0.34 0.87 -1.70 1.13 113.55 123.19 1x5c h SER 67 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x5c h SER 67 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1x5c h SER 67 CO 0.95 0.13 -0.22 0.35 -0.53 0.00 0.00 176.83 177.51 1x5c n THR 68 N -3.54 0.09 0.00 2.23 -2.24 -1.26 -3.77 114.28 105.79 1x5c n THR 68 Ca -0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1x5c n THR 68 Cb 0.27 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1x5c n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5c n ALA 69 N -1.56 1.89 -3.65 6.98 0.00 -0.57 -4.99 120.51 118.62 1x5c n ALA 69 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1x5c n ALA 69 Cb 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.63 1x5c n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1x5c s ASN 70 N -1.26 1.38 -0.07 0.00 0.01 0.38 -4.92 114.94 110.45 1x5c s ASN 70 Ca 0.00 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.08 1x5c s ASN 70 Cb 0.00 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 1x5c s ASN 70 CO 0.00 -0.28 -0.01 -1.83 -1.51 0.00 0.00 177.10 173.47 1x5c s GLU 71 N 2.19 2.92 -0.05 -0.60 -1.05 -1.26 -4.12 118.70 116.72 1x5c s GLU 71 Ca 0.04 -0.45 -0.06 0.00 -0.15 0.00 0.00 54.97 54.35 1x5c s GLU 71 Cb -0.13 -2.74 0.01 0.00 -0.44 0.00 0.00 34.13 30.83 1x5c s GLU 71 CO -0.05 0.69 0.16 0.14 0.95 0.00 0.00 175.26 177.15 1x5c s VAL 72 N -0.89 0.01 0.24 1.83 -7.23 -1.26 -4.92 120.40 108.17 1x5c s VAL 72 Ca 0.14 -0.09 0.13 0.00 -1.81 0.00 0.00 61.98 60.35 1x5c s VAL 72 Cb -0.11 -0.26 0.03 0.00 0.56 0.00 0.00 36.38 36.59 1x5c s VAL 72 CO 0.03 -0.05 1.65 1.05 -0.31 0.00 0.00 175.10 177.47 1x5c h GLU 73 N 5.67 0.00 0.00 4.82 4.11 -2.01 -2.82 114.58 124.36 1x5c h GLU 73 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1x5c h GLU 73 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1x5c h GLU 73 CO 0.40 0.53 0.00 0.00 0.07 0.00 0.00 179.01 180.02 1x5c h ALA 74 N 1.47 1.00 -1.45 1.06 0.00 -2.02 -3.38 119.26 115.93 1x5c h ALA 74 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x5c h ALA 74 Cb 1.02 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 1x5c h ALA 74 CO 0.07 0.00 -0.38 0.08 0.00 0.00 0.00 179.25 179.02 1x5c s VAL 75 N -3.57 -0.80 -0.48 0.00 1.01 -1.06 -5.00 120.40 110.50 1x5c s VAL 75 Ca -0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1x5c s VAL 75 Cb 0.08 -0.91 0.08 0.00 0.00 0.00 0.00 36.38 35.63 1x5c s VAL 75 CO 0.30 -0.06 0.40 -0.54 0.00 0.00 0.00 175.10 175.19 1x5c s LYS 76 N 2.70 2.97 -0.23 2.72 -0.14 -1.26 -4.27 119.74 122.23 1x5c s LYS 76 Ca 0.17 -1.38 -0.10 0.00 -1.36 0.00 0.00 55.97 53.30 1x5c s LYS 76 Cb -0.15 -4.14 -0.05 0.00 -1.68 0.00 0.00 37.83 31.81 1x5c s LYS 76 CO -0.19 -1.05 0.15 0.08 -0.76 0.00 0.00 175.35 173.59 1x5c s VAL 77 N 1.63 5.28 -0.47 3.17 1.01 -1.26 -4.94 120.40 124.82 1x5c s VAL 77 Ca 0.04 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1x5c s VAL 77 Cb -0.25 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1x5c s VAL 77 CO 0.06 0.36 0.39 1.41 0.00 0.00 0.00 175.10 177.32 1x5c n HIS 78 N 4.23 0.00 -4.27 5.22 -0.00 -1.26 -5.03 115.22 114.10 1x5c n HIS 78 Ca -0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.42 1x5c n HIS 78 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.41 1x5c n HIS 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5c s SER 79 N -1.48 1.31 -0.02 0.41 1.04 -1.26 -5.17 113.70 108.52 1x5c s SER 79 Ca 0.04 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.95 1x5c s SER 79 Cb 0.06 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.36 1x5c s SER 79 CO 0.26 -0.60 0.70 -0.36 0.98 0.00 0.00 173.24 174.22 1x5c s PHE 80 N -3.64 -0.61 0.44 5.02 0.08 -1.26 -4.11 117.98 113.89 1x5c s PHE 80 Ca 0.28 0.95 -0.24 0.00 0.12 0.00 0.00 56.93 58.04 1x5c s PHE 80 Cb 0.06 0.44 -0.08 0.00 -0.57 0.00 0.00 43.02 42.87 1x5c s PHE 80 CO 0.07 -0.63 1.17 -1.25 -0.10 0.00 0.00 175.22 174.49 1x5c s PRO 81 N -1.62 3.86 -0.05 0.24 0.04 -1.26 -4.91 135.00 131.30 1x5c s PRO 81 Ca -0.08 1.81 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1x5c s PRO 81 Cb -0.00 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1x5c s PRO 81 CO 0.05 -0.47 -0.21 0.99 0.04 0.00 0.00 177.00 177.40 1x5c s THR 82 N -1.49 1.74 -0.06 1.26 2.01 0.62 -5.02 115.64 114.70 1x5c s THR 82 Ca 0.61 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.78 1x5c s THR 82 Cb -0.30 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1x5c s THR 82 CO 0.36 0.49 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.80 1x5c s LEU 83 N -0.03 2.03 -0.05 4.42 1.43 -1.26 0.79 118.68 126.01 1x5c s LEU 83 Ca -0.05 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1x5c s LEU 83 Cb -0.13 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1x5c s LEU 83 CO 0.03 0.21 -0.03 -0.54 0.23 0.00 0.00 176.35 176.25 1x5c s LYS 84 N -0.02 0.73 -0.13 1.70 1.02 -1.09 -3.07 119.74 118.87 1x5c s LYS 84 Ca -0.06 -0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.74 1x5c s LYS 84 Cb -0.14 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1x5c s LYS 84 CO 0.04 -0.17 0.43 0.12 -0.92 0.00 0.00 175.35 174.85 1x5c s PHE 85 N 1.31 3.49 -0.30 3.18 5.36 -0.35 -2.40 117.98 128.28 1x5c s PHE 85 Ca -0.05 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 56.68 1x5c s PHE 85 Cb -0.13 -2.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.08 1x5c s PHE 85 CO -0.02 0.18 0.04 -0.06 -1.46 0.00 0.00 175.22 173.89 1x5c s PHE 86 N 0.62 3.20 0.95 10.12 0.08 0.05 -0.66 117.98 132.34 1x5c s PHE 86 Ca 0.23 -1.48 -0.12 0.00 0.12 0.00 0.00 56.93 55.68 1x5c s PHE 86 Cb -0.15 -2.18 0.16 0.00 -0.57 0.00 0.00 43.02 40.29 1x5c s PHE 86 CO 0.08 -0.72 1.09 -1.25 -0.10 0.00 0.00 175.22 174.33 1x5c s PRO 87 N 1.36 0.83 0.00 0.24 0.04 -1.26 -1.63 135.00 134.59 1x5c s PRO 87 Ca -0.01 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 61.66 1x5c s PRO 87 Cb -0.18 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.37 1x5c s PRO 87 CO 0.00 -2.50 3.16 0.00 0.04 0.00 0.00 177.00 177.71 1x5c n ALA 88 N -4.04 5.66 -2.73 8.56 0.00 -1.23 -4.67 120.51 122.06 1x5c n ALA 88 Ca 0.06 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.77 1x5c n ALA 88 Cb 0.56 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1x5c n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5c s SER 89 N 2.06 6.44 -0.16 0.00 0.15 -1.26 -2.66 113.70 118.28 1x5c s SER 89 Ca 0.52 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.68 1x5c s SER 89 Cb 0.25 -2.05 0.22 0.00 -1.71 0.00 0.00 66.02 62.73 1x5c s SER 89 CO 0.00 0.04 1.39 0.00 1.20 0.00 0.00 173.24 175.86 1x5c n ALA 90 N -0.11 3.69 -2.61 5.45 0.00 -1.26 -3.93 120.51 121.73 1x5c n ALA 90 Ca -0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.30 1x5c n ALA 90 Cb 0.52 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1x5c n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x5c s ASP 91 N 0.27 0.09 -1.05 0.00 2.15 -1.26 -5.04 116.67 111.83 1x5c s ASP 91 Ca 0.20 -0.93 -0.22 0.00 0.43 0.00 0.00 52.55 52.03 1x5c s ASP 91 Cb 0.16 0.41 -0.10 0.00 -0.30 0.00 0.00 42.92 43.09 1x5c s ASP 91 CO 0.03 -0.86 1.92 -1.14 -0.17 0.00 0.00 175.17 174.95 1x5c n ARG 92 N -0.19 1.71 -4.05 4.34 0.63 -1.26 -4.91 116.66 112.93 1x5c n ARG 92 Ca -0.07 -2.30 -0.35 0.00 -0.92 0.00 0.00 57.85 54.21 1x5c n ARG 92 Cb 0.63 -3.40 -0.07 0.00 0.45 0.00 0.00 32.46 30.07 1x5c n ARG 92 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1x5c s THR 93 N 8.11 5.01 -0.01 5.15 2.01 -1.26 -5.11 115.64 129.54 1x5c s THR 93 Ca 0.63 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1x5c s THR 93 Cb 0.06 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1x5c s THR 93 CO 0.12 0.48 0.00 -0.69 -0.69 0.00 0.00 174.62 173.84 1x5c s VAL 94 N -1.10 0.07 -0.07 3.82 1.01 -1.26 -4.57 120.40 118.30 1x5c s VAL 94 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1x5c s VAL 94 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1x5c s VAL 94 CO 0.09 0.07 -0.18 -0.63 0.00 0.00 0.00 175.10 174.45 1x5c s ILE 95 N 0.47 2.71 -0.22 2.22 1.01 0.17 -4.97 121.20 122.58 1x5c s ILE 95 Ca -0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 1x5c s ILE 95 Cb -0.06 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1x5c s ILE 95 CO -0.01 0.57 1.08 1.51 0.00 0.00 0.00 174.94 178.09 1x5c s ASP 96 N -0.28 7.07 -0.55 3.58 -4.77 -1.26 -1.21 116.67 119.26 1x5c s ASP 96 Ca 0.01 1.43 -0.28 0.00 -3.30 0.00 0.00 52.55 50.41 1x5c s ASP 96 Cb -0.13 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.19 1x5c s ASP 96 CO 0.03 -0.69 1.13 -0.47 0.70 0.00 0.00 175.17 175.87 1x5c s TYR 97 N 3.27 2.69 -0.46 2.11 5.04 -1.18 -4.89 117.35 123.93 1x5c s TYR 97 Ca 0.46 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.55 1x5c s TYR 97 Cb -0.16 -4.41 0.43 0.00 0.35 0.00 0.00 41.96 38.17 1x5c s TYR 97 CO 0.08 -1.47 1.39 0.09 -1.34 0.00 0.00 175.55 174.30 1x5c n ASN 98 N 8.12 5.59 -0.51 4.32 3.02 -1.26 -4.85 115.26 129.70 1x5c n ASN 98 Ca 0.08 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.87 1x5c n ASN 98 Cb 0.49 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1x5c n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5c n GLY 99 N -0.65 1.29 0.21 7.41 0.00 -1.26 -5.00 105.19 107.19 1x5c n GLY 99 Ca 0.46 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1x5c n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5c n GLU 100 N 0.00 1.82 -3.38 1.61 0.00 -1.26 -4.99 120.64 114.43 1x5c n GLU 100 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 57.16 56.50 1x5c n GLU 100 Cb 0.00 -1.25 0.06 0.00 0.00 0.00 0.00 31.44 30.26 1x5c n GLU 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1x5c n ARG 101 N -0.64 -6.46 -4.50 3.44 1.74 -1.26 -5.02 116.66 103.96 1x5c n ARG 101 Ca 0.05 0.67 -0.26 0.00 -0.77 0.00 0.00 57.85 57.54 1x5c n ARG 101 Cb 0.29 -5.25 -0.13 0.00 -1.02 0.00 0.00 32.46 26.35 1x5c n ARG 101 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5c s THR 102 N -3.26 1.86 0.24 0.55 -4.23 -1.26 -4.99 115.64 104.55 1x5c s THR 102 Ca 0.48 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 1x5c s THR 102 Cb -0.21 -1.64 0.33 0.00 1.34 0.00 0.00 72.50 72.32 1x5c s THR 102 CO 0.59 0.11 1.58 0.25 -0.54 0.00 0.00 174.62 176.61 1x5c h LEU 103 N 4.39 -0.89 -0.31 4.79 5.85 -1.95 0.52 115.31 127.72 1x5c h LEU 103 Ca -0.46 0.26 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 1x5c h LEU 103 Cb 1.17 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 1x5c h LEU 103 CO 0.41 -0.28 -0.82 -0.78 -0.34 0.00 0.00 178.44 176.63 1x5c h ASP 104 N -0.02 0.49 -0.06 1.25 1.82 -1.96 -3.19 116.42 114.76 1x5c h ASP 104 Ca 0.38 -0.35 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 1x5c h ASP 104 Cb 0.61 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1x5c h ASP 104 CO -0.86 1.12 -0.05 1.23 -1.61 0.00 0.00 179.24 179.06 1x5c h GLY 105 N 1.31 0.29 0.92 -0.78 0.00 -0.85 -2.77 103.07 101.19 1x5c h GLY 105 Ca -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1x5c h GLY 105 CO 0.14 0.15 -0.05 0.74 0.00 0.00 0.00 176.54 177.52 1x5c h PHE 106 N 0.26 0.70 -0.87 5.60 0.04 -0.16 -2.93 116.94 119.59 1x5c h PHE 106 Ca 0.06 -0.14 0.10 0.00 2.80 0.00 0.00 57.97 60.80 1x5c h PHE 106 Cb 0.27 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1x5c h PHE 106 CO 0.00 0.77 0.56 0.87 -0.60 0.00 0.00 178.31 179.92 1x5c h LYS 107 N 0.42 0.79 0.06 1.51 1.57 -1.53 -0.87 116.57 118.53 1x5c h LYS 107 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1x5c h LYS 107 Cb 0.53 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1x5c h LYS 107 CO 0.03 0.53 -0.03 0.87 -0.57 0.00 0.00 179.45 180.27 1x5c h LYS 108 N 0.82 -0.08 -0.75 3.15 1.57 -1.41 0.37 116.57 120.24 1x5c h LYS 108 Ca 0.41 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1x5c h LYS 108 Cb 0.47 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1x5c h LYS 108 CO -0.17 0.03 0.45 0.35 -0.57 0.00 0.00 179.45 179.54 1x5c h PHE 109 N -0.17 1.00 0.36 -1.35 3.57 -1.27 -2.08 116.94 117.00 1x5c h PHE 109 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1x5c h PHE 109 Cb 0.14 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1x5c h PHE 109 CO -0.04 0.67 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.47 1x5c h LEU 110 N 1.03 -0.40 -1.05 0.59 3.38 -1.01 -2.28 115.31 115.56 1x5c h LEU 110 Ca 0.27 0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.65 1x5c h LEU 110 Cb -0.03 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 40.66 1x5c h LEU 110 CO -0.05 -0.16 0.59 -0.33 0.09 0.00 0.00 178.44 178.58 1x5c h GLU 111 N -0.74 0.09 -0.65 1.13 5.08 -0.29 0.95 114.58 120.15 1x5c h GLU 111 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1x5c h GLU 111 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1x5c h GLU 111 CO 0.08 0.06 0.41 0.77 -1.00 0.00 0.00 179.01 179.33 1x5c h SER 112 N 0.09 0.75 0.00 1.42 0.02 -1.37 -3.47 113.55 111.00 1x5c h SER 112 Ca 0.82 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.73 1x5c h SER 112 Cb 2.15 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1x5c h SER 112 CO -0.69 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.18 1x5c n GLY 113 N -1.23 1.13 1.13 -3.77 0.00 0.33 -4.71 105.19 98.06 1x5c n GLY 113 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1x5c n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5c n GLY 114 N 0.00 0.97 3.68 -0.02 0.00 -0.87 -5.00 105.19 103.95 1x5c n GLY 114 Ca 0.00 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 1x5c n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5c n GLN 115 N -1.42 2.31 -0.08 1.61 1.13 -1.26 -4.90 117.38 114.76 1x5c n GLN 115 Ca 0.00 0.84 -0.15 0.00 -1.94 0.00 0.00 57.00 55.75 1x5c n GLN 115 Cb 0.21 -2.67 -0.10 0.00 0.11 0.00 0.00 30.24 27.79 1x5c n GLN 115 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x5c h SER 116 N 7.76 0.00 0.00 1.08 0.87 -1.94 -3.50 113.55 117.82 1x5c h SER 116 Ca -0.47 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.50 1x5c h SER 116 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1x5c h SER 116 CO 0.92 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 1x5c n GLY 117 N 1.56 -0.78 3.61 5.77 0.00 -1.26 -5.03 105.19 109.05 1x5c n GLY 117 Ca -0.18 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1x5c n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5c s PRO 118 N 0.00 -0.98 0.79 1.61 0.04 -1.26 -4.96 135.00 130.23 1x5c s PRO 118 Ca 0.00 0.02 -0.16 0.00 0.04 0.00 0.00 61.00 60.90 1x5c s PRO 118 Cb 0.00 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.86 1x5c s PRO 118 CO 0.00 -3.57 0.10 0.43 0.04 0.00 0.00 177.00 174.00 1x5c n SER 119 N -4.68 -2.83 0.00 6.66 7.64 -1.26 -4.94 113.62 114.21 1x5c n SER 119 Ca 0.12 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1x5c n SER 119 Cb 0.59 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1x5c n SER 119 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5c n SER 120 N 0.81 3.90 0.00 6.43 3.41 -1.26 -5.15 113.62 121.76 1x5c n SER 120 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1x5c n SER 120 Cb 0.51 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1x5c n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49