#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmi h GLU 3 N 0.00 0.00 -0.87 4.33 4.81 -1.97 -2.90 114.58 117.97 3cmi h GLU 3 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3cmi h GLU 3 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3cmi h GLU 3 CO 0.00 0.12 0.54 0.35 -0.73 0.00 0.00 179.01 179.29 3cmi h PHE 4 N 0.00 1.00 0.00 0.92 3.57 -1.98 -2.37 116.94 118.08 3cmi h PHE 4 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3cmi h PHE 4 Cb 0.31 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3cmi h PHE 4 CO 0.00 0.50 0.00 0.66 -2.23 0.00 0.00 178.31 177.24 3cmi n TYR 5 N -4.62 0.25 0.22 0.41 4.01 -1.09 -2.66 117.16 113.68 3cmi n TYR 5 Ca 0.13 0.08 0.12 0.00 -0.16 0.00 0.00 57.90 58.07 3cmi n TYR 5 Cb 0.19 -0.62 0.23 0.00 -0.31 0.00 0.00 39.34 38.82 3cmi n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3cmi h LYS 6 N 0.00 0.00 -6.82 -0.72 1.57 -1.54 -3.06 116.57 106.00 3cmi h LYS 6 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3cmi h LYS 6 Cb 0.51 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.89 3cmi h LYS 6 CO 0.00 0.02 0.73 -0.51 -0.57 0.00 0.00 179.45 179.11 3cmi s LEU 7 N -6.22 4.39 -0.43 2.94 1.02 -1.09 -4.88 118.68 114.42 3cmi s LEU 7 Ca 0.06 2.73 0.05 0.00 0.02 0.00 0.00 54.13 57.00 3cmi s LEU 7 Cb 0.06 -3.64 0.19 0.00 0.02 0.00 0.00 46.19 42.82 3cmi s LEU 7 CO 0.66 -0.68 0.48 0.00 0.02 0.00 0.00 176.35 176.83 3cmi n ALA 8 N 1.59 1.63 -1.41 4.21 0.00 -1.26 -0.44 120.51 124.83 3cmi n ALA 8 Ca 0.04 -2.65 -0.32 0.00 0.00 0.00 0.00 53.44 50.50 3cmi n ALA 8 Cb 0.40 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.98 3cmi n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cmi s PRO 9 N 0.04 2.56 0.13 0.00 0.04 -1.23 -4.53 135.00 132.01 3cmi s PRO 9 Ca 0.33 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 3cmi s PRO 9 Cb 0.06 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 3cmi s PRO 9 CO -0.16 -1.43 1.13 0.08 0.04 0.00 0.00 177.00 176.66 3cmi s VAL 10 N -2.53 3.98 0.75 -0.36 1.01 -1.26 -0.62 120.40 121.37 3cmi s VAL 10 Ca 0.65 1.58 -0.10 0.00 0.00 0.00 0.00 61.98 64.12 3cmi s VAL 10 Cb -0.20 -4.01 0.17 0.00 0.00 0.00 0.00 36.38 32.34 3cmi s VAL 10 CO 0.47 0.21 1.02 -0.90 0.00 0.00 0.00 175.10 175.90 3cmi n ASP 11 N 3.01 0.41 -0.10 3.32 3.85 0.23 -1.37 116.55 125.89 3cmi n ASP 11 Ca 0.05 -1.57 0.06 0.00 -0.71 0.00 0.00 54.79 52.63 3cmi n ASP 11 Cb 0.46 -0.75 0.40 0.00 -1.35 0.00 0.00 41.12 39.89 3cmi n ASP 11 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3cmi h LYS 12 N 0.00 0.61 -0.08 0.11 3.64 -1.64 -0.44 116.57 118.78 3cmi h LYS 12 Ca -0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3cmi h LYS 12 Cb 0.99 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3cmi h LYS 12 CO 0.26 0.41 0.00 1.63 -2.27 0.00 0.00 179.45 179.48 3cmi n LYS 13 N -4.47 1.30 -1.20 1.90 4.76 -1.26 -4.77 118.16 114.42 3cmi n LYS 13 Ca 0.07 -0.46 -0.01 0.00 -2.87 0.00 0.00 58.31 55.05 3cmi n LYS 13 Cb 0.18 -1.31 -0.00 0.00 -1.84 0.00 0.00 35.03 32.06 3cmi n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cmi n GLY 14 N 0.91 0.41 3.59 0.72 0.00 -0.19 -5.06 105.19 105.58 3cmi n GLY 14 Ca 0.14 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3cmi n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cmi s GLN 15 N -2.42 2.25 0.20 1.61 -1.52 -1.26 -4.77 119.66 113.75 3cmi s GLN 15 Ca 0.00 -0.95 -0.33 0.00 -1.95 0.00 0.00 55.36 52.13 3cmi s GLN 15 Cb 0.00 -2.36 -0.14 0.00 -0.22 0.00 0.00 33.01 30.29 3cmi s GLN 15 CO 0.00 0.53 1.48 -2.30 -0.25 0.00 0.00 175.29 174.75 3cmi n PRO 16 N 0.81 2.05 -3.85 2.91 -0.02 -1.26 0.75 135.00 136.39 3cmi n PRO 16 Ca -0.13 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 3cmi n PRO 16 Cb 0.52 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3cmi n PRO 16 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3cmi s PHE 17 N 0.42 3.32 0.09 6.00 5.36 0.21 -4.79 117.98 128.60 3cmi s PHE 17 Ca 0.74 -3.03 -0.31 0.00 -0.96 0.00 0.00 56.93 53.37 3cmi s PHE 17 Cb -0.68 -2.96 -0.06 0.00 -0.34 0.00 0.00 43.02 38.98 3cmi s PHE 17 CO 0.44 -0.76 1.21 -1.25 -1.46 0.00 0.00 175.22 173.40 3cmi s PRO 18 N -0.39 4.44 0.00 10.12 0.04 -1.26 -3.50 135.00 144.45 3cmi s PRO 18 Ca 0.18 1.81 0.21 0.00 0.04 0.00 0.00 61.00 63.24 3cmi s PRO 18 Cb -0.21 -3.32 1.04 0.00 0.04 0.00 0.00 34.50 32.05 3cmi s PRO 18 CO -0.03 -0.23 1.66 1.19 0.04 0.00 0.00 177.00 179.63 3cmi n PHE 19 N 3.65 0.00 0.26 0.56 3.01 0.41 -2.93 117.46 122.41 3cmi n PHE 19 Ca 0.08 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.67 3cmi n PHE 19 Cb 0.46 -0.29 0.68 0.00 -0.01 0.00 0.00 39.48 40.32 3cmi n PHE 19 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3cmi h ASP 20 N 0.00 0.00 0.48 4.37 -0.00 -1.77 -0.84 116.42 118.66 3cmi h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3cmi h ASP 20 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 3cmi h ASP 20 CO 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 179.24 179.37 3cmi n GLN 21 N -3.52 0.09 -0.01 4.15 10.64 -1.15 -2.60 117.38 124.98 3cmi n GLN 21 Ca -0.01 0.39 0.13 0.00 -1.83 0.00 0.00 57.00 55.68 3cmi n GLN 21 Cb 0.28 -1.69 0.47 0.00 -0.86 0.00 0.00 30.24 28.45 3cmi n GLN 21 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3cmi n LEU 22 N -1.86 1.64 -4.72 2.61 4.32 -0.32 -4.94 117.00 113.73 3cmi n LEU 22 Ca 0.02 -0.57 -0.42 0.00 -0.02 0.00 0.00 56.01 55.02 3cmi n LEU 22 Cb 0.16 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.91 3cmi n LEU 22 CO 0.14 0.28 1.32 -0.54 -1.22 0.00 0.00 177.39 177.37 3cmi s LYS 23 N -1.96 4.16 0.00 3.23 1.02 -1.07 -1.71 119.74 123.41 3cmi s LYS 23 Ca 0.37 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.86 3cmi s LYS 23 Cb 0.20 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3cmi s LYS 23 CO 0.32 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 3cmi n GLY 24 N 3.90 0.70 3.54 -3.33 0.00 -0.86 -5.04 105.19 104.11 3cmi n GLY 24 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3cmi n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmi s LYS 25 N -0.13 2.54 0.09 1.61 3.01 -0.69 -4.88 119.74 121.28 3cmi s LYS 25 Ca 0.00 -0.69 -0.30 0.00 -1.01 0.00 0.00 55.97 53.97 3cmi s LYS 25 Cb 0.00 -2.46 -0.05 0.00 -1.01 0.00 0.00 37.83 34.31 3cmi s LYS 25 CO 0.00 0.62 1.06 0.08 0.51 0.00 0.00 175.35 177.62 3cmi s VAL 26 N -0.86 4.33 -0.07 3.17 1.01 -0.47 -3.91 120.40 123.60 3cmi s VAL 26 Ca 0.14 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.95 3cmi s VAL 26 Cb -0.11 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3cmi s VAL 26 CO 0.04 0.22 -0.15 -0.69 0.00 0.00 0.00 175.10 174.51 3cmi s VAL 27 N 0.47 1.37 -0.29 2.92 1.01 -0.86 -1.73 120.40 123.29 3cmi s VAL 27 Ca 0.52 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3cmi s VAL 27 Cb -0.26 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3cmi s VAL 27 CO 0.30 0.41 0.14 -0.22 0.00 0.00 0.00 175.10 175.74 3cmi s LEU 28 N 0.53 3.92 -0.25 3.92 1.98 -0.52 0.13 118.68 128.39 3cmi s LEU 28 Ca -0.15 -0.29 -0.09 0.00 -2.89 0.00 0.00 54.13 50.71 3cmi s LEU 28 Cb -0.16 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.63 3cmi s LEU 28 CO 0.05 -0.11 0.11 -0.63 -1.89 0.00 0.00 176.35 173.88 3cmi s ILE 29 N 1.66 4.72 -0.08 6.68 1.01 0.10 -1.40 121.20 133.90 3cmi s ILE 29 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3cmi s ILE 29 Cb -0.16 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.10 3cmi s ILE 29 CO 0.07 0.32 -0.12 0.54 0.00 0.00 0.00 174.94 175.75 3cmi s VAL 30 N 1.55 1.18 0.00 2.92 0.11 -0.72 -0.84 120.40 124.60 3cmi s VAL 30 Ca 0.06 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.34 3cmi s VAL 30 Cb -0.15 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3cmi s VAL 30 CO 0.06 0.37 0.94 0.54 -3.33 0.00 0.00 175.10 173.68 3cmi s ASN 31 N 0.82 7.32 0.16 3.54 2.20 -1.09 -0.52 114.94 127.38 3cmi s ASN 31 Ca -0.11 1.60 0.09 0.00 -0.94 0.00 0.00 52.86 53.50 3cmi s ASN 31 Cb -0.15 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.51 3cmi s ASN 31 CO 0.02 -0.22 -0.12 -0.69 -2.94 0.00 0.00 177.10 173.15 3cmi s VAL 32 N 0.88 3.11 -0.01 3.54 1.01 0.26 -0.09 120.40 129.09 3cmi s VAL 32 Ca 0.49 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3cmi s VAL 32 Cb -0.21 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3cmi s VAL 32 CO 0.27 -0.04 1.21 0.00 0.00 0.00 0.00 175.10 176.54 3cmi s ALA 33 N -1.52 3.46 0.26 5.51 0.00 -1.26 -1.54 121.76 126.67 3cmi s ALA 33 Ca 0.23 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.95 3cmi s ALA 33 Cb -0.09 -3.50 0.35 0.00 0.00 0.00 0.00 23.12 19.88 3cmi s ALA 33 CO 0.14 -0.66 1.63 1.03 0.00 0.00 0.00 175.76 177.90 3cmi h SER 34 N 7.27 0.28 -3.68 0.00 0.87 -1.80 -3.45 113.55 113.05 3cmi h SER 34 Ca -0.37 -0.14 -0.49 0.00 -1.23 0.00 0.00 61.79 59.56 3cmi h SER 34 Cb 1.18 -0.08 0.04 0.00 -0.44 0.00 0.00 62.40 63.10 3cmi h SER 34 CO 0.86 0.73 0.15 -0.54 -0.53 0.00 0.00 176.83 177.51 3cmi s LYS 35 N -3.98 3.55 0.82 2.24 1.02 -1.26 -5.02 119.74 117.11 3cmi s LYS 35 Ca -0.04 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.10 3cmi s LYS 35 Cb 0.13 -2.33 0.09 0.00 -0.52 0.00 0.00 37.83 35.19 3cmi s LYS 35 CO 0.79 -0.25 1.19 0.00 -0.92 0.00 0.00 175.35 176.15 3cmi n GLY 37 N -3.36 1.33 1.31 0.00 0.00 -1.26 -5.01 105.19 98.21 3cmi n GLY 37 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 3cmi n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cmi n PHE 38 N -1.59 0.59 -0.23 1.61 3.72 -1.26 -4.93 117.46 115.37 3cmi n PHE 38 Ca 0.00 -1.41 0.04 0.00 -0.05 0.00 0.00 57.45 56.03 3cmi n PHE 38 Cb 0.00 -0.24 0.16 0.00 -0.94 0.00 0.00 39.48 38.46 3cmi n PHE 38 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3cmi h THR 39 N 3.32 0.59 -0.67 4.37 2.02 -1.98 -1.52 112.91 119.04 3cmi h THR 39 Ca -0.02 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 67.17 3cmi h THR 39 Cb 1.37 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3cmi h THR 39 CO 0.17 0.06 0.45 -0.65 0.37 0.00 0.00 175.52 175.92 3cmi h PRO 40 N 0.31 0.44 -0.28 6.66 0.11 -2.00 -1.47 132.00 135.77 3cmi h PRO 40 Ca 0.38 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.36 3cmi h PRO 40 Cb 0.61 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3cmi h PRO 40 CO -0.45 0.29 -0.23 1.96 -0.21 0.00 0.00 178.00 179.36 3cmi h GLN 41 N 0.45 0.65 -0.20 1.05 7.50 -1.70 -2.65 115.11 120.21 3cmi h GLN 41 Ca 0.32 -0.33 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 3cmi h GLN 41 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 3cmi h GLN 41 CO -0.10 0.93 -0.40 1.88 -1.50 0.00 0.00 178.83 179.64 3cmi h TYR 42 N 0.39 0.53 -0.47 2.96 -1.99 -1.40 -2.55 116.97 114.44 3cmi h TYR 42 Ca 0.05 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 3cmi h TYR 42 Cb 0.78 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.38 3cmi h TYR 42 CO 0.07 0.78 0.20 0.87 -0.00 0.00 0.00 178.16 180.08 3cmi h LYS 43 N 0.37 0.70 -0.67 4.88 1.57 -1.25 -0.87 116.57 121.31 3cmi h LYS 43 Ca 0.03 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3cmi h LYS 43 Cb 0.86 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3cmi h LYS 43 CO 0.07 0.62 0.13 0.93 -0.57 0.00 0.00 179.45 180.63 3cmi h GLU 44 N 0.62 1.09 -0.27 3.15 5.08 -1.39 -1.19 114.58 121.67 3cmi h GLU 44 Ca 0.16 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3cmi h GLU 44 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3cmi h GLU 44 CO -0.01 0.99 0.07 -0.07 -1.00 0.00 0.00 179.01 178.98 3cmi h LEU 45 N 1.01 0.40 -1.03 1.33 3.38 -1.35 -2.01 115.31 117.04 3cmi h LEU 45 Ca 0.21 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3cmi h LEU 45 Cb 0.41 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3cmi h LEU 45 CO 0.01 0.53 0.65 -0.08 0.09 0.00 0.00 178.44 179.64 3cmi h GLU 46 N 0.26 1.29 -0.60 1.13 4.57 -1.05 -0.68 114.58 119.50 3cmi h GLU 46 Ca 0.08 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3cmi h GLU 46 Cb 0.28 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3cmi h GLU 46 CO 0.00 0.85 0.26 0.00 -1.18 0.00 0.00 179.01 178.94 3cmi h ALA 47 N 1.39 0.78 -0.28 2.92 0.00 -1.08 0.11 119.26 123.11 3cmi h ALA 47 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cmi h ALA 47 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3cmi h ALA 47 CO -0.08 0.39 0.18 1.25 0.00 0.00 0.00 179.25 180.98 3cmi h LEU 48 N 0.84 0.32 0.08 0.00 5.85 -0.84 -1.22 115.31 120.33 3cmi h LEU 48 Ca 0.20 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3cmi h LEU 48 Cb 0.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3cmi h LEU 48 CO -0.02 0.24 -0.04 0.22 -0.34 0.00 0.00 178.44 178.50 3cmi h TYR 49 N 0.37 -0.10 -0.77 1.25 3.20 -0.86 -2.19 116.97 117.87 3cmi h TYR 49 Ca 0.10 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 3cmi h TYR 49 Cb -0.03 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3cmi h TYR 49 CO -0.06 0.05 0.43 0.87 -1.64 0.00 0.00 178.16 177.81 3cmi h LYS 50 N -0.22 0.71 -0.41 1.82 1.57 -0.74 0.39 116.57 119.70 3cmi h LYS 50 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3cmi h LYS 50 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3cmi h LYS 50 CO 0.02 0.47 0.13 -0.09 -0.57 0.00 0.00 179.45 179.41 3cmi h ARG 51 N 0.73 0.63 0.00 3.15 2.43 -0.96 -3.36 114.38 117.00 3cmi h ARG 51 Ca 0.37 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3cmi h ARG 51 Cb 0.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3cmi h ARG 51 CO -0.24 0.63 -0.50 0.66 -1.51 0.00 0.00 179.97 179.01 3cmi n TYR 52 N -4.59 0.00 -0.35 2.20 4.01 -0.85 -4.72 117.16 112.87 3cmi n TYR 52 Ca -0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 3cmi n TYR 52 Cb 0.18 -0.01 0.36 0.00 -0.31 0.00 0.00 39.34 39.56 3cmi n TYR 52 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3cmi h LYS 53 N 0.00 0.62 -0.01 -0.72 2.10 -1.07 0.16 116.57 117.65 3cmi h LYS 53 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3cmi h LYS 53 Cb 0.23 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3cmi h LYS 53 CO 0.00 0.41 0.00 -0.25 -2.00 0.00 0.00 179.45 177.61 3cmi n ASP 54 N -4.85 0.33 -0.26 7.07 8.00 -1.26 -2.36 116.55 123.22 3cmi n ASP 54 Ca 0.26 -1.18 0.13 0.00 0.71 0.00 0.00 54.79 54.72 3cmi n ASP 54 Cb 0.69 -0.00 0.47 0.00 -0.02 0.00 0.00 41.12 42.26 3cmi n ASP 54 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cmi n GLU 55 N -0.71 0.98 -0.61 -1.24 -0.58 0.56 -4.94 120.64 114.10 3cmi n GLU 55 Ca 0.21 -0.52 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3cmi n GLU 55 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3cmi n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cmi n GLY 56 N 1.28 0.70 2.92 0.62 0.00 -1.00 -4.97 105.19 104.76 3cmi n GLY 56 Ca 0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3cmi n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cmi s PHE 57 N -2.04 0.18 0.17 1.61 5.36 -1.15 -1.37 117.98 120.74 3cmi s PHE 57 Ca 0.00 -0.17 -0.08 0.00 -0.96 0.00 0.00 56.93 55.72 3cmi s PHE 57 Cb 0.00 -0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 3cmi s PHE 57 CO 0.00 -0.05 0.27 -0.08 -1.46 0.00 0.00 175.22 173.90 3cmi s THR 58 N -0.46 0.06 -0.10 0.12 -1.32 -0.70 -4.19 115.64 109.05 3cmi s THR 58 Ca -0.04 -1.46 0.02 0.00 -1.21 0.00 0.00 61.69 59.00 3cmi s THR 58 Cb -0.03 -1.92 0.01 0.00 -1.51 0.00 0.00 72.50 69.05 3cmi s THR 58 CO -0.00 -0.27 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.34 3cmi s ILE 59 N -3.99 1.58 -0.31 5.08 1.01 -1.26 -1.44 121.20 121.87 3cmi s ILE 59 Ca 0.19 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 3cmi s ILE 59 Cb 0.03 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3cmi s ILE 59 CO 0.01 0.45 0.13 -0.63 0.00 0.00 0.00 174.94 174.91 3cmi s ILE 60 N 0.76 4.35 -0.22 2.92 -1.09 -0.49 -3.18 121.20 124.24 3cmi s ILE 60 Ca -0.11 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 3cmi s ILE 60 Cb -0.16 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 3cmi s ILE 60 CO 0.02 0.05 0.25 -0.83 -1.23 0.00 0.00 174.94 173.20 3cmi s GLY 61 N 1.56 2.03 -0.40 6.18 0.00 -0.22 -1.76 107.32 114.71 3cmi s GLY 61 Ca 0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 3cmi s GLY 61 CO 0.05 0.53 0.21 -1.36 0.00 0.00 0.00 173.10 172.53 3cmi s PHE 62 N 1.09 3.36 0.40 1.90 0.40 0.33 -1.32 117.98 124.14 3cmi s PHE 62 Ca 0.12 -1.69 -0.26 0.00 -0.60 0.00 0.00 56.93 54.50 3cmi s PHE 62 Cb -0.14 -2.84 -0.11 0.00 0.51 0.00 0.00 43.02 40.44 3cmi s PHE 62 CO 0.05 -0.85 1.25 -2.30 0.70 0.00 0.00 175.22 174.07 3cmi n PRO 63 N 4.82 1.92 -3.66 0.24 -0.02 -1.26 0.89 135.00 137.93 3cmi n PRO 63 Ca -0.09 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3cmi n PRO 63 Cb 0.43 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 3cmi n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cmi n ASN 65 N 2.81 3.80 -0.10 0.00 4.05 -1.26 -2.19 115.26 122.38 3cmi n ASN 65 Ca -0.14 -2.76 0.15 0.00 0.45 0.00 0.00 54.58 52.28 3cmi n ASN 65 Cb 0.56 -0.48 0.80 0.00 1.23 0.00 0.00 39.78 41.89 3cmi n ASN 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cmi n GLN 66 N -0.15 0.98 -3.26 1.20 6.02 -1.26 -4.30 117.38 116.61 3cmi n GLN 66 Ca 0.20 -0.19 -0.26 0.00 -0.01 0.00 0.00 57.00 56.74 3cmi n GLN 66 Cb 0.80 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.50 3cmi n GLN 66 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3cmi n PHE 67 N -0.84 2.52 -5.09 1.08 3.72 -1.26 -5.09 117.46 112.49 3cmi n PHE 67 Ca 0.20 -3.96 -0.32 0.00 -0.05 0.00 0.00 57.45 53.32 3cmi n PHE 67 Cb 0.19 -0.49 -0.15 0.00 -0.94 0.00 0.00 39.48 38.10 3cmi n PHE 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cmi s GLY 68 N -2.38 1.40 0.00 1.37 0.00 -1.26 -4.86 107.32 101.59 3cmi s GLY 68 Ca 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3cmi s GLY 68 CO -0.06 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 172.92 3cmi n GLY 87 N 2.62 0.87 3.82 0.20 0.00 -1.26 -5.25 105.19 106.19 3cmi n GLY 87 Ca -0.17 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 3cmi n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cmi s VAL 88 N -2.00 2.59 -0.42 1.61 -7.23 -1.26 -5.04 120.40 108.65 3cmi s VAL 88 Ca 0.00 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3cmi s VAL 88 Cb 0.00 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.96 3cmi s VAL 88 CO 0.00 -0.02 0.62 0.35 -0.31 0.00 0.00 175.10 175.75 3cmi n THR 89 N -1.40 0.04 -2.94 5.32 -2.24 -1.26 -5.03 114.28 106.76 3cmi n THR 89 Ca 0.01 -0.52 -0.25 0.00 -2.27 0.00 0.00 64.05 61.02 3cmi n THR 89 Cb 0.63 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 3cmi n THR 89 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3cmi s PHE 90 N -0.31 3.48 0.06 4.78 -0.12 -1.26 -5.00 117.98 119.60 3cmi s PHE 90 Ca 0.04 0.56 -0.33 0.00 -0.05 0.00 0.00 56.93 57.15 3cmi s PHE 90 Cb 0.03 -2.18 -0.12 0.00 -0.63 0.00 0.00 43.02 40.12 3cmi s PHE 90 CO 0.04 -0.18 1.79 -2.30 -0.05 0.00 0.00 175.22 174.53 3cmi n PRO 91 N -2.08 2.42 -4.54 1.99 -0.02 -1.19 -4.87 135.00 126.70 3cmi n PRO 91 Ca -0.01 0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3cmi n PRO 91 Cb 0.56 -2.73 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 3cmi n PRO 91 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cmi s ILE 92 N 2.82 3.78 0.49 4.25 -1.09 -1.26 -1.06 121.20 129.12 3cmi s ILE 92 Ca 0.85 -0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 3cmi s ILE 92 Cb -0.60 -2.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.72 3cmi s ILE 92 CO 0.43 0.56 0.61 -0.04 -1.23 0.00 0.00 174.94 175.26 3cmi s MET 93 N -0.33 2.54 0.53 2.79 -1.94 -0.43 -2.42 119.30 120.04 3cmi s MET 93 Ca 0.05 -1.50 -0.22 0.00 -1.71 0.00 0.00 55.69 52.31 3cmi s MET 93 Cb -0.12 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 34.06 3cmi s MET 93 CO 0.02 -0.50 1.36 0.21 -0.01 0.00 0.00 175.02 176.10 3cmi s LYS 94 N -4.42 3.24 0.27 2.03 2.20 -0.47 -4.15 119.74 118.43 3cmi s LYS 94 Ca 0.55 2.24 -0.31 0.00 -0.36 0.00 0.00 55.97 58.09 3cmi s LYS 94 Cb -0.07 -2.32 -0.13 0.00 -1.51 0.00 0.00 37.83 33.81 3cmi s LYS 94 CO 0.33 -1.11 1.48 1.17 -0.36 0.00 0.00 175.35 176.86 3cmi n LYS 95 N -0.89 2.31 -4.31 4.03 4.81 -1.26 -4.53 118.16 118.32 3cmi n LYS 95 Ca 0.09 0.82 -0.16 0.00 -0.87 0.00 0.00 58.31 58.19 3cmi n LYS 95 Cb 0.45 -2.53 -0.10 0.00 0.02 0.00 0.00 35.03 32.87 3cmi n LYS 95 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3cmi s ILE 96 N -0.08 0.66 -0.07 3.15 -4.36 -0.46 -5.00 121.20 115.05 3cmi s ILE 96 Ca 0.66 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.88 3cmi s ILE 96 Cb -0.58 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 40.54 3cmi s ILE 96 CO 0.50 -0.11 0.47 -1.81 0.24 0.00 0.00 174.94 174.22 3cmi s ASP 97 N -3.30 6.76 0.08 4.36 -0.00 -1.26 -4.30 116.67 119.01 3cmi s ASP 97 Ca 0.35 0.90 0.19 0.00 -0.00 0.00 0.00 52.55 53.99 3cmi s ASP 97 Cb 0.07 -2.28 -0.12 0.00 -0.00 0.00 0.00 42.92 40.59 3cmi s ASP 97 CO 0.12 0.12 0.81 1.33 -0.00 0.00 0.00 175.17 177.54 3cmi n VAL 98 N 2.98 0.86 -4.40 -1.27 0.24 -1.26 -1.58 118.33 113.90 3cmi n VAL 98 Ca -0.09 -0.63 -0.20 0.00 -2.04 0.00 0.00 64.34 61.37 3cmi n VAL 98 Cb 0.52 -0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.29 3cmi n VAL 98 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3cmi s ASN 99 N -5.46 2.83 0.00 -1.34 0.02 -1.26 -4.69 114.94 105.04 3cmi s ASN 99 Ca -0.03 -1.08 0.00 0.00 -1.02 0.00 0.00 52.86 50.73 3cmi s ASN 99 Cb 0.09 -0.18 0.00 0.00 0.02 0.00 0.00 41.25 41.19 3cmi s ASN 99 CO 0.82 -0.19 0.00 0.61 0.02 0.00 0.00 177.10 178.35 3cmi n GLY 100 N -0.50 -1.83 0.23 0.66 0.00 -1.26 -4.01 105.19 98.49 3cmi n GLY 100 Ca -0.07 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.29 3cmi n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cmi h GLY 101 N 0.00 0.00 -1.89 -0.02 0.00 -2.00 -2.37 103.07 96.79 3cmi h GLY 101 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3cmi h GLY 101 CO 0.00 0.00 0.01 0.70 0.00 0.00 0.00 176.54 177.25 3cmi n ASN 102 N -2.72 3.65 -4.67 0.19 5.03 -1.26 -5.03 115.26 110.45 3cmi n ASN 102 Ca -0.00 -3.21 -0.46 0.00 0.87 0.00 0.00 54.58 51.78 3cmi n ASN 102 Cb 0.19 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 3cmi n ASN 102 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3cmi n GLU 103 N -0.63 2.09 -2.10 3.52 2.13 -0.90 -4.37 120.64 120.38 3cmi n GLU 103 Ca 0.26 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.42 3cmi n GLU 103 Cb 0.97 -2.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.17 3cmi n GLU 103 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3cmi s ASP 104 N 0.77 6.76 0.50 4.31 2.15 -0.62 -4.82 116.67 125.72 3cmi s ASP 104 Ca 0.77 2.67 0.34 0.00 0.43 0.00 0.00 52.55 56.76 3cmi s ASP 104 Cb -0.68 -2.64 1.47 0.00 -0.30 0.00 0.00 42.92 40.76 3cmi s ASP 104 CO 0.40 -0.56 1.75 -0.65 -0.17 0.00 0.00 175.17 175.94 3cmi h PRO 105 N 3.75 0.09 -0.61 4.34 0.11 -1.92 0.33 132.00 138.08 3cmi h PRO 105 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3cmi h PRO 105 Cb 1.22 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3cmi h PRO 105 CO 0.68 0.06 0.26 0.28 -0.21 0.00 0.00 178.00 179.07 3cmi h VAL 106 N 0.09 1.23 0.00 3.15 2.07 -1.98 -1.36 116.25 119.44 3cmi h VAL 106 Ca 0.64 -0.69 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 3cmi h VAL 106 Cb 2.31 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3cmi h VAL 106 CO -0.11 0.27 -0.88 1.88 0.02 0.00 0.00 177.57 178.75 3cmi h TYR 107 N 0.84 0.00 -0.01 1.57 0.05 -1.33 -1.39 116.97 116.71 3cmi h TYR 107 Ca 0.21 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.99 3cmi h TYR 107 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3cmi h TYR 107 CO 0.01 0.88 -0.04 -0.22 -1.05 0.00 0.00 178.16 177.73 3cmi h LYS 108 N 0.00 -0.07 -0.21 4.88 3.64 -1.11 -2.09 116.57 121.62 3cmi h LYS 108 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3cmi h LYS 108 Cb 1.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 3cmi h LYS 108 CO 0.11 -0.04 0.11 0.35 -2.27 0.00 0.00 179.45 177.71 3cmi h PHE 109 N -0.07 0.29 -0.23 1.91 3.57 -1.16 -2.62 116.94 118.63 3cmi h PHE 109 Ca 0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3cmi h PHE 109 Cb 0.10 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3cmi h PHE 109 CO -0.12 0.27 0.10 -0.07 -2.23 0.00 0.00 178.31 176.26 3cmi h LEU 110 N 0.22 0.14 -1.65 0.59 3.38 -1.22 -2.53 115.31 114.23 3cmi h LEU 110 Ca 0.07 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3cmi h LEU 110 Cb 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3cmi h LEU 110 CO -0.01 0.11 -0.19 0.11 0.09 0.00 0.00 178.44 178.55 3cmi h LYS 111 N 0.22 0.00 0.00 1.13 1.57 -1.36 -1.32 116.57 116.81 3cmi h LYS 111 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3cmi h LYS 111 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3cmi h LYS 111 CO -0.08 0.19 -0.21 0.66 -0.57 0.00 0.00 179.45 179.44 3cmi h SER 112 N 0.00 0.00 0.25 0.86 4.64 -1.06 -3.18 113.55 115.06 3cmi h SER 112 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3cmi h SER 112 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3cmi h SER 112 CO 0.02 0.21 -1.91 0.00 -0.87 0.00 0.00 176.83 174.29 3cmi n GLN 113 N -3.54 0.71 -3.54 4.77 1.13 -0.69 -4.85 117.38 111.38 3cmi n GLN 113 Ca -0.01 0.27 -0.28 0.00 -1.94 0.00 0.00 57.00 55.04 3cmi n GLN 113 Cb 0.37 -1.73 -0.15 0.00 0.11 0.00 0.00 30.24 28.83 3cmi n GLN 113 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3cmi s LYS 114 N -2.57 0.18 0.07 -1.09 2.47 -0.58 -5.04 119.74 113.18 3cmi s LYS 114 Ca -0.16 -0.46 -0.11 0.00 -1.56 0.00 0.00 55.97 53.68 3cmi s LYS 114 Cb 0.07 -1.22 0.01 0.00 -1.46 0.00 0.00 37.83 35.23 3cmi s LYS 114 CO 0.79 -0.98 0.23 -1.12 0.16 0.00 0.00 175.35 174.43 3cmi s SER 115 N 2.12 0.01 0.73 1.43 0.01 -1.24 -4.49 113.70 112.26 3cmi s SER 115 Ca 0.08 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 3cmi s SER 115 Cb -0.16 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.44 3cmi s SER 115 CO -0.33 -0.66 1.18 0.61 0.41 0.00 0.00 173.24 174.45 3cmi n GLY 116 N 0.29 0.11 0.29 3.44 0.00 -1.26 -4.93 105.19 103.13 3cmi n GLY 116 Ca -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 3cmi n GLY 116 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cmi h MET 117 N -0.19 0.84 -5.91 1.61 2.86 -2.01 -3.45 114.93 108.68 3cmi h MET 117 Ca -0.48 -0.21 -0.57 0.00 -2.06 0.00 0.00 59.70 56.37 3cmi h MET 117 Cb 1.32 -0.10 -0.14 0.00 0.06 0.00 0.00 31.60 32.74 3cmi h MET 117 CO 0.49 0.81 -0.72 -0.51 1.06 0.00 0.00 176.91 178.05 3cmi s LEU 118 N -9.24 2.61 0.00 1.22 1.43 -1.26 -5.10 118.68 108.34 3cmi s LEU 118 Ca -0.10 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 3cmi s LEU 118 Cb 0.15 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.44 3cmi s LEU 118 CO 0.81 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.87 3cmi n GLY 119 N -0.63 -1.36 3.75 -3.19 0.00 -1.26 -4.90 105.19 97.60 3cmi n GLY 119 Ca -0.06 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3cmi n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cmi s LEU 120 N 0.00 4.36 0.00 0.99 1.43 -1.26 -4.92 118.68 119.28 3cmi s LEU 120 Ca 0.00 2.83 0.20 0.00 -1.03 0.00 0.00 54.13 56.13 3cmi s LEU 120 Cb 0.00 -3.63 -0.22 0.00 0.03 0.00 0.00 46.19 42.37 3cmi s LEU 120 CO 0.00 -0.81 0.58 0.54 0.23 0.00 0.00 176.35 176.89 3cmi n ARG 121 N 2.12 0.65 -0.65 1.70 1.74 -1.26 -4.63 116.66 116.33 3cmi n ARG 121 Ca 0.07 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 3cmi n ARG 121 Cb 0.39 -1.63 0.20 0.00 -1.02 0.00 0.00 32.46 30.40 3cmi n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3cmi s GLY 122 N -4.72 1.63 0.10 -0.13 0.00 -1.26 -4.95 107.32 97.99 3cmi s GLY 122 Ca -0.06 0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 3cmi s GLY 122 CO 0.85 0.83 1.24 -0.42 0.00 0.00 0.00 173.10 175.61 3cmi s ILE 123 N -2.58 3.77 -0.05 0.90 -1.09 -1.26 -4.96 121.20 115.93 3cmi s ILE 123 Ca 0.67 1.31 -0.18 0.00 -2.23 0.00 0.00 60.65 60.23 3cmi s ILE 123 Cb -0.23 -3.84 -0.31 0.00 -1.58 0.00 0.00 42.46 36.50 3cmi s ILE 123 CO 0.61 0.12 0.78 0.11 -1.23 0.00 0.00 174.94 175.33 3cmi h LYS 124 N 6.49 0.34 -3.55 2.79 6.56 -2.00 -3.49 116.57 123.73 3cmi h LYS 124 Ca -0.42 -0.58 -0.16 0.00 -1.06 0.00 0.00 60.65 58.43 3cmi h LYS 124 Cb 1.21 0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 33.06 3cmi h LYS 124 CO 0.81 1.28 0.06 -0.46 -2.06 0.00 0.00 179.45 179.08 3cmi s TRP 125 N -2.49 0.61 0.48 -1.35 -0.00 -1.26 -5.03 118.94 109.89 3cmi s TRP 125 Ca -0.15 -1.08 -0.22 0.00 -0.00 0.00 0.00 56.10 54.65 3cmi s TRP 125 Cb 0.03 0.41 -0.09 0.00 -0.00 0.00 0.00 33.47 33.82 3cmi s TRP 125 CO 0.84 -1.40 0.92 0.09 -0.00 0.00 0.00 176.95 177.39 3cmi n ASN 126 N -1.53 0.76 -1.51 5.86 3.02 -1.26 -3.72 115.26 116.88 3cmi n ASN 126 Ca -0.04 0.94 -0.12 0.00 -0.03 0.00 0.00 54.58 55.33 3cmi n ASN 126 Cb 0.61 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 3cmi n ASN 126 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3cmi n PHE 127 N -0.94 -0.75 -2.49 3.10 3.72 0.87 -4.59 117.46 116.39 3cmi n PHE 127 Ca 0.11 0.10 -0.36 0.00 -0.05 0.00 0.00 57.45 57.25 3cmi n PHE 127 Cb 0.42 -2.80 -0.03 0.00 -0.94 0.00 0.00 39.48 36.12 3cmi n PHE 127 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3cmi s GLU 128 N -4.79 3.92 -0.02 -1.08 2.12 -1.24 -4.01 118.70 113.59 3cmi s GLU 128 Ca 0.06 1.50 0.03 0.00 0.36 0.00 0.00 54.97 56.91 3cmi s GLU 128 Cb -0.02 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.04 3cmi s GLU 128 CO 0.07 -0.35 -0.09 0.15 -0.54 0.00 0.00 175.26 174.50 3cmi s LYS 129 N -2.85 0.94 -0.09 4.30 1.02 -0.73 -2.66 119.74 119.66 3cmi s LYS 129 Ca 0.63 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.34 3cmi s LYS 129 Cb -0.21 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 3cmi s LYS 129 CO 0.26 0.13 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.55 3cmi s PHE 130 N 0.11 2.32 -0.20 3.18 0.40 -0.02 0.27 117.98 124.04 3cmi s PHE 130 Ca -0.02 -0.94 -0.08 0.00 -0.60 0.00 0.00 56.93 55.29 3cmi s PHE 130 Cb -0.08 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 3cmi s PHE 130 CO 0.00 -0.39 0.08 -1.17 0.70 0.00 0.00 175.22 174.44 3cmi s LEU 131 N 0.42 3.84 -0.07 -0.37 2.96 -0.31 0.02 118.68 125.17 3cmi s LEU 131 Ca -0.18 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3cmi s LEU 131 Cb -0.17 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3cmi s LEU 131 CO 0.08 0.14 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.41 3cmi s VAL 132 N 0.60 3.07 0.99 1.68 1.01 0.12 -0.37 120.40 127.50 3cmi s VAL 132 Ca 0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 3cmi s VAL 132 Cb -0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3cmi s VAL 132 CO 0.01 0.57 0.12 -0.67 0.00 0.00 0.00 175.10 175.13 3cmi n ASP 133 N 2.66 -2.67 0.23 3.32 -0.08 0.97 -2.04 116.55 118.94 3cmi n ASP 133 Ca -0.17 0.22 0.15 0.00 -1.51 0.00 0.00 54.79 53.47 3cmi n ASP 133 Cb 0.52 -1.08 0.57 0.00 2.34 0.00 0.00 41.12 43.47 3cmi n ASP 133 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3cmi h LYS 134 N -1.57 0.00 -0.02 -0.67 1.57 -1.85 -2.94 116.57 111.08 3cmi h LYS 134 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3cmi h LYS 134 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3cmi h LYS 134 CO 0.33 0.00 -0.24 1.63 -0.57 0.00 0.00 179.45 180.60 3cmi n LYS 135 N -2.85 1.61 -0.17 3.15 5.02 -1.26 -2.03 118.16 121.63 3cmi n LYS 135 Ca 0.02 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 3cmi n LYS 135 Cb 0.32 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3cmi n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cmi n GLY 136 N 1.36 0.88 3.72 0.72 0.00 -1.11 -4.72 105.19 106.04 3cmi n GLY 136 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3cmi n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cmi s LYS 137 N -0.83 4.33 -0.03 1.61 1.02 -1.26 -4.64 119.74 119.94 3cmi s LYS 137 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 3cmi s LYS 137 Cb 0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 3cmi s LYS 137 CO 0.00 0.17 1.64 0.08 -0.92 0.00 0.00 175.35 176.32 3cmi s VAL 138 N 0.58 3.50 -0.12 3.17 1.01 -1.26 -0.02 120.40 127.26 3cmi s VAL 138 Ca 0.25 0.70 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 3cmi s VAL 138 Cb -0.15 -3.45 -0.26 0.00 0.00 0.00 0.00 36.38 32.52 3cmi s VAL 138 CO 0.09 -0.05 0.61 0.22 0.00 0.00 0.00 175.10 175.98 3cmi h TYR 139 N 9.21 0.25 -1.72 5.22 5.03 -1.05 -3.47 116.97 130.43 3cmi h TYR 139 Ca -0.40 -0.18 0.07 0.00 2.58 0.00 0.00 58.73 60.80 3cmi h TYR 139 Cb 1.18 -0.01 -0.21 0.00 1.55 0.00 0.00 36.73 39.24 3cmi h TYR 139 CO 0.86 1.35 0.50 -2.00 -1.32 0.00 0.00 178.16 177.55 3cmi s GLU 140 N -2.38 0.68 -0.13 1.82 2.56 -1.20 -5.02 118.70 115.03 3cmi s GLU 140 Ca -0.20 0.08 -0.03 0.00 0.00 0.00 0.00 54.97 54.82 3cmi s GLU 140 Cb 0.02 0.32 -0.03 0.00 2.00 0.00 0.00 34.13 36.44 3cmi s GLU 140 CO 0.72 -0.23 -0.02 0.50 -0.56 0.00 0.00 175.26 175.67 3cmi s ARG 141 N -1.46 3.40 0.06 4.30 3.52 -1.26 -1.16 118.95 126.35 3cmi s ARG 141 Ca -0.02 -0.48 0.09 0.00 -0.13 0.00 0.00 55.73 55.19 3cmi s ARG 141 Cb -0.00 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 3cmi s ARG 141 CO 0.01 0.42 -0.24 0.71 -0.81 0.00 0.00 175.30 175.39 3cmi s TYR 142 N -0.12 2.06 0.89 5.12 1.51 0.14 -5.01 117.35 121.95 3cmi s TYR 142 Ca 0.03 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.58 3cmi s TYR 142 Cb -0.13 -1.21 0.13 0.00 -0.11 0.00 0.00 41.96 40.64 3cmi s TYR 142 CO 0.02 0.14 1.10 -1.54 -1.11 0.00 0.00 175.55 174.16 3cmi s SER 143 N -1.37 3.57 0.59 2.29 1.04 -1.26 -1.77 113.70 116.78 3cmi s SER 143 Ca 0.10 1.39 0.29 0.00 0.48 0.00 0.00 55.95 58.20 3cmi s SER 143 Cb -0.09 -2.07 1.78 0.00 0.10 0.00 0.00 66.02 65.73 3cmi s SER 143 CO 0.03 -2.57 2.23 0.77 0.98 0.00 0.00 173.24 174.68 3cmi h SER 144 N -1.50 0.00 1.67 7.02 4.64 -1.81 -2.75 113.55 120.82 3cmi h SER 144 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3cmi h SER 144 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3cmi h SER 144 CO 0.56 0.00 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.15 3cmi h LEU 145 N 0.00 0.00 -9.20 5.97 3.38 -1.89 -3.45 115.31 110.12 3cmi h LEU 145 Ca 0.02 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.42 3cmi h LEU 145 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3cmi h LEU 145 CO -0.00 0.00 0.80 0.42 0.09 0.00 0.00 178.44 179.75 3cmi s THR 146 N -3.25 4.36 0.35 0.22 -4.23 -1.04 -4.98 115.64 107.08 3cmi s THR 146 Ca 0.05 1.66 -0.27 0.00 -1.18 0.00 0.00 61.69 61.95 3cmi s THR 146 Cb 0.07 -4.07 -0.09 0.00 1.34 0.00 0.00 72.50 69.75 3cmi s THR 146 CO 0.70 -0.09 1.14 -0.54 -0.54 0.00 0.00 174.62 175.29 3cmi s LYS 147 N 2.96 4.31 0.29 3.99 1.02 -1.26 -4.91 119.74 126.13 3cmi s LYS 147 Ca 0.53 1.80 0.03 0.00 0.02 0.00 0.00 55.97 58.35 3cmi s LYS 147 Cb -0.21 -2.87 0.63 0.00 -0.52 0.00 0.00 37.83 34.85 3cmi s LYS 147 CO 0.16 -0.09 1.80 -1.35 -0.92 0.00 0.00 175.35 174.95 3cmi h PRO 148 N 3.10 0.83 -0.56 -1.68 0.11 -1.93 -0.91 132.00 130.95 3cmi h PRO 148 Ca -0.48 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.68 3cmi h PRO 148 Cb 1.22 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3cmi h PRO 148 CO 0.64 0.55 0.38 0.66 -0.21 0.00 0.00 178.00 180.02 3cmi h SER 149 N 0.85 0.29 0.47 -2.05 4.64 -1.92 -1.49 113.55 114.34 3cmi h SER 149 Ca 0.53 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3cmi h SER 149 Cb 0.68 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3cmi h SER 149 CO -0.33 0.17 0.00 0.28 -0.87 0.00 0.00 176.83 176.08 3cmi h SER 150 N 0.32 0.00 0.16 4.97 0.02 -1.53 -2.53 113.55 114.96 3cmi h SER 150 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3cmi h SER 150 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3cmi h SER 150 CO -0.06 0.00 -0.27 0.18 -1.14 0.00 0.00 176.83 175.54 3cmi n LEU 151 N -2.44 1.28 -0.15 5.07 4.32 -0.56 -4.53 117.00 119.99 3cmi n LEU 151 Ca 0.00 -0.38 -0.06 0.00 -0.02 0.00 0.00 56.01 55.55 3cmi n LEU 151 Cb 0.16 -0.09 0.03 0.00 -1.62 0.00 0.00 43.42 41.91 3cmi n LEU 151 CO 0.18 0.24 1.03 0.77 -1.22 0.00 0.00 177.39 178.38 3cmi h SER 152 N 1.59 0.41 -0.69 -1.43 4.64 -1.56 0.46 113.55 116.97 3cmi h SER 152 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3cmi h SER 152 Cb 0.56 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3cmi h SER 152 CO 0.00 0.29 0.32 -0.33 -0.87 0.00 0.00 176.83 176.24 3cmi h GLU 153 N 0.53 1.01 -0.58 4.77 4.39 -1.83 0.66 114.58 123.52 3cmi h GLU 153 Ca 0.19 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3cmi h GLU 153 Cb 0.05 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3cmi h GLU 153 CO -0.10 0.81 0.14 1.15 -1.16 0.00 0.00 179.01 179.85 3cmi h THR 154 N 0.97 1.25 -0.81 1.13 2.02 -1.78 -2.40 112.91 113.28 3cmi h THR 154 Ca 0.24 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.54 3cmi h THR 154 Cb 0.14 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3cmi h THR 154 CO -0.03 0.33 0.53 0.40 0.37 0.00 0.00 175.52 177.13 3cmi h ILE 155 N 0.83 1.18 -0.80 3.11 2.04 -0.47 -2.54 117.51 120.87 3cmi h ILE 155 Ca 0.18 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3cmi h ILE 155 Cb 0.34 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3cmi h ILE 155 CO 0.00 0.20 0.35 -0.33 0.00 0.00 0.00 178.15 178.37 3cmi h GLU 156 N 1.07 1.17 -0.00 2.37 5.08 -0.65 -0.73 114.58 122.90 3cmi h GLU 156 Ca 0.31 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3cmi h GLU 156 Cb -0.08 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3cmi h GLU 156 CO -0.08 0.93 -0.53 1.05 -1.00 0.00 0.00 179.01 179.38 3cmi h GLU 157 N 1.15 0.00 -0.07 2.33 4.11 -1.23 -2.69 114.58 118.18 3cmi h GLU 157 Ca 0.27 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.53 3cmi h GLU 157 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3cmi h GLU 157 CO -0.03 0.53 -0.69 -0.07 0.07 0.00 0.00 179.01 178.82 3cmi h LEU 158 N 0.00 0.37 -1.32 3.06 3.38 -1.12 -3.17 115.31 116.50 3cmi h LEU 158 Ca -0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3cmi h LEU 158 Cb 0.93 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3cmi h LEU 158 CO 0.07 0.94 -0.33 -0.07 0.09 0.00 0.00 178.44 179.14 3cmi h LEU 159 N 0.22 0.00 -0.49 1.67 3.38 -0.89 -2.82 115.31 116.38 3cmi h LEU 159 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cmi h LEU 159 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3cmi h LEU 159 CO 0.11 0.33 -0.04 0.29 0.09 0.00 0.00 178.44 179.22 3cmi n LYS 160 N -4.00 1.20 -1.59 1.13 5.02 -1.03 -4.96 118.16 113.92 3cmi n LYS 160 Ca -0.02 -0.49 -0.49 0.00 -2.02 0.00 0.00 58.31 55.30 3cmi n LYS 160 Cb 0.39 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 3cmi n LYS 160 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3cmi n GLU 161 N -0.48 1.25 0.00 1.97 1.02 -1.07 -5.10 120.64 118.24 3cmi n GLU 161 Ca 0.19 0.45 0.15 0.00 -0.02 0.00 0.00 57.16 57.93 3cmi n GLU 161 Cb 0.26 -1.99 0.79 0.00 -0.02 0.00 0.00 31.44 30.49 3cmi n GLU 161 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64