#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1luv s HIS 2 N 0.00 3.44 0.09 5.64 3.76 -1.26 -5.07 115.29 121.88 1luv s HIS 2 Ca 0.00 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.57 1luv s HIS 2 Cb 0.00 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.82 1luv s HIS 2 CO 0.00 0.02 -0.13 -1.12 -0.85 0.00 0.00 174.74 172.66 1luv s SER 3 N -2.00 1.69 -0.20 1.40 0.01 -1.26 -4.93 113.70 108.40 1luv s SER 3 Ca 0.57 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1luv s SER 3 Cb -0.12 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1luv s SER 3 CO 0.17 -0.14 1.26 -0.22 0.41 0.00 0.00 173.24 174.72 1luv s LEU 4 N -2.07 4.10 0.46 2.44 2.96 -1.26 -5.00 118.68 120.32 1luv s LEU 4 Ca 0.02 1.56 -0.22 0.00 -0.22 0.00 0.00 54.13 55.28 1luv s LEU 4 Cb -0.07 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 1luv s LEU 4 CO 0.02 -0.84 1.05 -2.16 -1.32 0.00 0.00 176.35 173.11 1luv s PRO 5 N 3.65 3.89 0.57 0.98 0.04 -1.26 -5.01 135.00 137.86 1luv s PRO 5 Ca 0.55 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1luv s PRO 5 Cb -0.20 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1luv s PRO 5 CO 0.16 -0.37 1.13 -0.51 0.04 0.00 0.00 177.00 177.45 1luv s ASP 6 N -1.80 5.55 0.37 6.66 -0.00 -1.26 -4.98 116.67 121.21 1luv s ASP 6 Ca 0.64 2.16 -0.26 0.00 -0.00 0.00 0.00 52.55 55.09 1luv s ASP 6 Cb -0.19 -2.58 -0.09 0.00 -0.00 0.00 0.00 42.92 40.06 1luv s ASP 6 CO 0.23 -1.33 1.11 -0.22 -0.00 0.00 0.00 175.17 174.96 1luv s LEU 7 N -4.03 4.27 -0.00 1.23 2.96 -1.26 -4.90 118.68 116.95 1luv s LEU 7 Ca 0.72 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 1luv s LEU 7 Cb -0.24 -3.97 0.00 0.00 0.50 0.00 0.00 46.19 42.49 1luv s LEU 7 CO 0.30 -0.46 0.95 -0.81 -1.32 0.00 0.00 176.35 175.02 1luv n PRO 8 N 0.33 1.01 -3.85 0.98 -0.04 -1.26 -4.84 135.00 127.32 1luv n PRO 8 Ca 0.03 -0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1luv n PRO 8 Cb 0.47 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1luv n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1luv s TYR 9 N -1.90 -0.05 0.64 0.54 1.13 -1.26 -5.09 117.35 111.36 1luv s TYR 9 Ca 0.00 -0.47 -0.17 0.00 -1.41 0.00 0.00 57.07 55.02 1luv s TYR 9 Cb 0.00 0.72 -0.01 0.00 -1.10 0.00 0.00 41.96 41.57 1luv s TYR 9 CO 0.00 -1.33 1.20 0.34 -2.51 0.00 0.00 175.55 173.25 1luv s ASP 10 N -2.98 4.91 0.57 -0.18 2.15 -1.26 -4.91 116.67 114.98 1luv s ASP 10 Ca 0.13 2.35 0.26 0.00 0.43 0.00 0.00 52.55 55.73 1luv s ASP 10 Cb -0.05 -2.59 1.67 0.00 -0.30 0.00 0.00 42.92 41.65 1luv s ASP 10 CO 0.09 -1.78 2.21 1.88 -0.17 0.00 0.00 175.17 177.40 1luv h TYR 11 N 0.49 0.00 -0.63 -5.34 0.05 -1.97 -1.70 116.97 107.87 1luv h TYR 11 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1luv h TYR 11 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1luv h TYR 11 CO 0.47 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.99 1luv n GLY 12 N -1.39 2.58 0.28 3.88 0.00 -1.26 -4.03 105.19 105.25 1luv n GLY 12 Ca -0.02 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.47 1luv n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1luv h ALA 13 N 3.68 1.20 -0.28 4.61 0.00 -1.66 -2.64 119.26 124.17 1luv h ALA 13 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1luv h ALA 13 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1luv h ALA 13 CO 0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1luv n LEU 14 N -3.46 2.61 -4.76 0.00 4.77 -1.26 -4.42 117.00 110.48 1luv n LEU 14 Ca -0.02 -1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 54.51 1luv n LEU 14 Cb 0.21 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1luv n LEU 14 CO 0.28 0.55 0.81 -0.70 -1.33 0.00 0.00 177.39 177.00 1luv s GLU 15 N -1.65 2.98 0.00 3.23 2.12 -1.00 -1.69 118.70 122.70 1luv s GLU 15 Ca 0.35 1.70 0.15 0.00 0.36 0.00 0.00 54.97 57.53 1luv s GLU 15 Cb 0.20 -1.94 0.48 0.00 0.26 0.00 0.00 34.13 33.12 1luv s GLU 15 CO 0.29 -1.17 1.37 -0.35 -0.54 0.00 0.00 175.26 174.85 1luv n PRO 16 N -1.73 1.79 -0.07 4.30 -0.04 -1.26 -4.87 135.00 133.12 1luv n PRO 16 Ca 0.13 -1.21 -0.12 0.00 -0.04 0.00 0.00 63.50 62.26 1luv n PRO 16 Cb 0.50 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1luv n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1luv h HIS 17 N 2.12 0.42 -3.25 0.54 3.86 -1.66 -3.41 115.15 113.77 1luv h HIS 17 Ca 0.00 -0.08 -0.48 0.00 -1.16 0.00 0.00 60.37 58.65 1luv h HIS 17 Cb 0.48 -0.11 -0.38 0.00 1.06 0.00 0.00 27.41 28.46 1luv h HIS 17 CO 0.19 0.60 -0.77 0.42 0.86 0.00 0.00 177.93 179.23 1luv s ILE 18 N -4.85 0.54 0.86 2.45 1.01 -0.98 -4.78 121.20 115.44 1luv s ILE 18 Ca -0.14 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1luv s ILE 18 Cb 0.07 -0.78 0.11 0.00 0.01 0.00 0.00 42.46 41.87 1luv s ILE 18 CO 0.74 0.13 1.09 0.54 0.00 0.00 0.00 174.94 177.45 1luv s ASN 19 N 1.89 3.78 0.27 3.58 2.20 -1.26 -3.31 114.94 122.09 1luv s ASN 19 Ca 0.03 1.60 -0.02 0.00 -0.94 0.00 0.00 52.86 53.53 1luv s ASN 19 Cb -0.14 -2.28 0.38 0.00 -2.00 0.00 0.00 41.25 37.21 1luv s ASN 19 CO -0.07 -2.46 1.84 0.00 -2.94 0.00 0.00 177.10 173.47 1luv h ALA 20 N -1.43 1.22 -0.42 3.54 0.00 -1.89 -2.25 119.26 118.04 1luv h ALA 20 Ca -0.48 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.29 1luv h ALA 20 Cb 1.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1luv h ALA 20 CO 0.53 0.56 0.21 0.37 0.00 0.00 0.00 179.25 180.92 1luv h GLN 21 N 0.89 0.41 0.06 0.00 4.15 -1.92 -0.05 115.11 118.65 1luv h GLN 21 Ca 0.21 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1luv h GLN 21 Cb 0.22 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1luv h GLN 21 CO -0.01 0.27 -0.03 0.82 -1.93 0.00 0.00 178.83 177.95 1luv h ILE 22 N 0.43 1.01 -0.43 2.39 2.04 -1.89 -1.70 117.51 119.37 1luv h ILE 22 Ca 0.18 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1luv h ILE 22 Cb 0.08 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1luv h ILE 22 CO -0.12 0.06 0.09 0.24 0.00 0.00 0.00 178.15 178.41 1luv h MET 23 N -0.18 0.21 -0.38 2.37 2.86 -0.97 0.41 114.93 119.25 1luv h MET 23 Ca -0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1luv h MET 23 Cb 0.16 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1luv h MET 23 CO 0.01 0.14 0.18 0.37 1.06 0.00 0.00 176.91 178.67 1luv h GLN 24 N 0.22 0.56 -0.47 1.72 4.15 -0.94 0.91 115.11 121.25 1luv h GLN 24 Ca 0.21 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1luv h GLN 24 Cb 0.26 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1luv h GLN 24 CO -0.28 0.50 0.08 -0.07 -1.93 0.00 0.00 178.83 177.13 1luv h LEU 25 N 0.48 0.75 -0.51 -2.39 3.38 -0.95 0.31 115.31 116.38 1luv h LEU 25 Ca 0.13 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1luv h LEU 25 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1luv h LEU 25 CO -0.02 0.82 0.30 -0.74 0.09 0.00 0.00 178.44 178.89 1luv h HIS 26 N 0.65 0.56 0.00 1.13 2.76 0.16 -0.47 115.15 119.94 1luv h HIS 26 Ca 0.14 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1luv h HIS 26 Cb 0.39 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 1luv h HIS 26 CO 0.03 0.31 -0.23 1.25 -1.30 0.00 0.00 177.93 177.99 1luv h HIS 27 N 0.59 0.00 0.00 5.26 -0.00 -0.76 -2.07 115.15 118.17 1luv h HIS 27 Ca 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 1luv h HIS 27 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1luv h HIS 27 CO -0.07 0.55 -0.13 0.66 -0.00 0.00 0.00 177.93 178.95 1luv h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.00 -3.00 113.55 116.46 1luv h SER 28 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1luv h SER 28 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1luv h SER 28 CO -0.03 0.13 -0.34 0.29 -0.87 0.00 0.00 176.83 176.01 1luv n LYS 29 N -3.28 0.18 0.27 4.77 4.76 -0.24 -4.47 118.16 120.15 1luv n LYS 29 Ca 0.00 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 1luv n LYS 29 Cb 0.37 -0.75 -0.08 0.00 -1.84 0.00 0.00 35.03 32.73 1luv n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1luv h HIS 30 N -0.34 -0.61 -0.37 2.13 3.86 -1.45 -1.75 115.15 116.62 1luv h HIS 30 Ca 0.00 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1luv h HIS 30 Cb 0.34 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1luv h HIS 30 CO -0.15 -0.35 0.11 1.25 0.86 0.00 0.00 177.93 179.66 1luv h HIS 31 N -0.73 0.61 -0.54 2.45 -0.00 -1.42 -2.68 115.15 112.84 1luv h HIS 31 Ca -0.07 -0.06 0.11 0.00 -0.00 0.00 0.00 60.37 60.35 1luv h HIS 31 Cb 0.54 -0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.68 1luv h HIS 31 CO -0.03 0.59 -0.07 0.00 -0.00 0.00 0.00 177.93 178.42 1luv h ALA 32 N 0.95 0.44 -0.79 5.26 0.00 -1.51 -0.50 119.26 123.11 1luv h ALA 32 Ca 0.12 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1luv h ALA 32 Cb 0.27 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1luv h ALA 32 CO -0.00 -0.42 0.52 0.00 0.00 0.00 0.00 179.25 179.35 1luv h ALA 33 N 1.51 1.47 -0.26 0.00 0.00 -1.13 -0.49 119.26 120.37 1luv h ALA 33 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1luv h ALA 33 Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1luv h ALA 33 CO -0.51 0.47 0.08 1.88 0.00 0.00 0.00 179.25 181.18 1luv h TYR 34 N 1.03 0.41 -0.37 0.00 0.99 -0.78 -0.45 116.97 117.80 1luv h TYR 34 Ca 0.30 -0.04 -0.16 0.00 2.00 0.00 0.00 58.73 60.83 1luv h TYR 34 Cb -0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 1luv h TYR 34 CO -0.00 0.45 -0.40 -0.39 -0.00 0.00 0.00 178.16 177.82 1luv h VAL 35 N 0.25 1.27 -0.20 -2.88 -1.51 -1.04 -0.16 116.25 111.99 1luv h VAL 35 Ca 0.08 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.98 1luv h VAL 35 Cb 0.23 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1luv h VAL 35 CO -0.00 0.52 0.13 0.78 -1.23 0.00 0.00 177.57 177.77 1luv h ASN 36 N 0.75 0.24 0.34 4.19 2.35 -1.02 -1.29 115.58 121.14 1luv h ASN 36 Ca 0.06 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1luv h ASN 36 Cb 0.99 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1luv h ASN 36 CO 0.10 0.18 -0.38 0.78 -1.65 0.00 0.00 177.43 176.46 1luv h ASN 37 N 0.26 0.06 -0.24 5.81 -0.26 -1.02 -2.69 115.58 117.51 1luv h ASN 37 Ca 0.07 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1luv h ASN 37 Cb -0.02 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1luv h ASN 37 CO -0.02 0.44 0.05 0.25 -1.06 0.00 0.00 177.43 177.09 1luv h LEU 38 N 0.05 0.38 -1.38 1.61 5.85 -0.57 -1.54 115.31 119.71 1luv h LEU 38 Ca 0.00 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1luv h LEU 38 Cb 0.70 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1luv h LEU 38 CO 0.05 0.53 0.11 0.78 -0.34 0.00 0.00 178.44 179.57 1luv h ASN 39 N 0.21 0.48 -0.25 1.25 2.35 -1.06 0.06 115.58 118.62 1luv h ASN 39 Ca 0.07 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1luv h ASN 39 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1luv h ASN 39 CO 0.00 0.47 -0.10 0.58 -1.65 0.00 0.00 177.43 176.73 1luv h VAL 40 N 0.52 1.30 -0.50 2.81 2.07 -1.25 -2.67 116.25 118.52 1luv h VAL 40 Ca 0.12 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 1luv h VAL 40 Cb 0.17 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1luv h VAL 40 CO -0.01 0.36 -0.12 0.74 0.02 0.00 0.00 177.57 178.56 1luv h THR 41 N 0.23 1.27 -0.36 2.57 2.02 -0.80 -2.36 112.91 115.47 1luv h THR 41 Ca 0.06 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 1luv h THR 41 Cb 0.59 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1luv h THR 41 CO 0.03 0.44 -0.06 -0.33 0.37 0.00 0.00 175.52 175.98 1luv h GLU 42 N 0.83 0.60 -0.52 6.66 5.08 -1.02 0.11 114.58 126.32 1luv h GLU 42 Ca 0.13 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1luv h GLU 42 Cb 0.68 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1luv h GLU 42 CO 0.05 0.66 -0.06 1.49 -1.00 0.00 0.00 179.01 180.15 1luv h GLU 43 N 0.56 0.96 -0.24 2.33 4.22 -1.34 0.13 114.58 121.20 1luv h GLU 43 Ca 0.11 -0.34 -0.10 0.00 0.08 0.00 0.00 59.36 59.11 1luv h GLU 43 Cb 0.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1luv h GLU 43 CO 0.02 1.00 -0.28 0.87 -2.18 0.00 0.00 179.01 178.44 1luv h LYS 44 N 0.82 0.46 -0.51 1.92 1.57 -0.90 -2.37 116.57 117.56 1luv h LYS 44 Ca 0.14 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1luv h LYS 44 Cb 0.61 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1luv h LYS 44 CO 0.04 0.70 0.13 1.88 -0.57 0.00 0.00 179.45 181.63 1luv h TYR 45 N 0.41 0.85 -0.91 -1.35 0.05 -0.30 -0.98 116.97 114.74 1luv h TYR 45 Ca 0.06 -0.10 0.07 0.00 0.05 0.00 0.00 58.73 58.81 1luv h TYR 45 Cb 0.70 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 38.14 1luv h TYR 45 CO 0.02 0.75 0.59 0.37 -1.05 0.00 0.00 178.16 178.84 1luv h GLN 46 N 0.71 0.96 -0.26 4.88 5.75 -0.33 -0.22 115.11 126.60 1luv h GLN 46 Ca 0.16 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.48 1luv h GLN 46 Cb 0.33 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1luv h GLN 46 CO 0.00 0.64 -0.33 0.93 -2.65 0.00 0.00 178.83 177.41 1luv h GLU 47 N 0.99 0.68 -0.55 1.69 4.39 -0.94 -2.54 114.58 118.31 1luv h GLU 47 Ca 0.40 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1luv h GLU 47 Cb 0.26 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1luv h GLU 47 CO -0.16 1.00 0.14 0.00 -1.16 0.00 0.00 179.01 178.84 1luv h ALA 48 N 0.67 0.72 -0.38 3.43 0.00 -0.58 -2.81 119.26 120.30 1luv h ALA 48 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1luv h ALA 48 Cb 0.91 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1luv h ALA 48 CO 0.08 0.41 0.10 1.25 0.00 0.00 0.00 179.25 181.08 1luv h LEU 49 N 0.77 0.57 -1.82 0.00 5.85 -1.08 0.02 115.31 119.62 1luv h LEU 49 Ca 0.17 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1luv h LEU 49 Cb 0.32 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1luv h LEU 49 CO -0.00 0.65 0.13 0.00 -0.34 0.00 0.00 178.44 178.88 1luv h ALA 50 N 0.94 1.88 0.00 1.25 0.00 -1.39 -1.94 119.26 119.99 1luv h ALA 50 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1luv h ALA 50 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1luv h ALA 50 CO 0.00 0.11 -0.56 1.63 0.00 0.00 0.00 179.25 180.43 1luv n LYS 51 N -4.51 0.18 -1.94 0.00 5.02 -1.00 -4.93 118.16 110.98 1luv n LYS 51 Ca -0.00 0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1luv n LYS 51 Cb 0.08 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.47 1luv n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1luv n GLY 52 N 1.40 0.25 3.46 0.72 0.00 -0.48 -4.95 105.19 105.60 1luv n GLY 52 Ca 0.04 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 1luv n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1luv s ASP 53 N -2.75 6.63 0.19 1.61 3.68 -0.13 -4.86 116.67 121.04 1luv s ASP 53 Ca 0.00 -2.02 -0.10 0.00 2.13 0.00 0.00 52.55 52.56 1luv s ASP 53 Cb 0.00 -2.41 0.11 0.00 -1.45 0.00 0.00 42.92 39.17 1luv s ASP 53 CO 0.00 -1.09 1.75 0.58 0.13 0.00 0.00 175.17 176.53 1luv h VAL 54 N 5.88 1.25 -0.26 1.11 2.07 -1.92 -2.24 116.25 122.14 1luv h VAL 54 Ca 0.17 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1luv h VAL 54 Cb 1.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1luv h VAL 54 CO 1.14 0.31 0.06 0.74 0.02 0.00 0.00 177.57 179.84 1luv h THR 55 N 0.98 0.89 -0.75 2.57 2.02 -1.98 -0.82 112.91 115.82 1luv h THR 55 Ca 0.23 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1luv h THR 55 Cb 0.22 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1luv h THR 55 CO -0.02 0.03 0.44 0.00 0.37 0.00 0.00 175.52 176.34 1luv h ALA 56 N 1.18 0.96 -0.66 6.16 0.00 -1.93 -0.12 119.26 124.85 1luv h ALA 56 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1luv h ALA 56 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1luv h ALA 56 CO -0.15 0.44 0.40 1.96 0.00 0.00 0.00 179.25 181.90 1luv h GLN 57 N 1.03 0.89 -0.27 0.00 4.20 -0.97 -1.26 115.11 118.73 1luv h GLN 57 Ca 0.27 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 1luv h GLN 57 Cb -0.02 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1luv h GLN 57 CO -0.05 0.63 -0.45 0.82 -0.67 0.00 0.00 178.83 179.12 1luv h ILE 58 N 0.89 1.29 0.00 2.54 2.04 -0.71 -2.93 117.51 120.64 1luv h ILE 58 Ca 0.24 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 1luv h ILE 58 Cb -0.03 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1luv h ILE 58 CO -0.05 0.52 -0.29 0.00 0.00 0.00 0.00 178.15 178.34 1luv h ALA 59 N 0.94 1.36 0.00 1.87 0.00 -0.72 -2.53 119.26 120.18 1luv h ALA 59 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1luv h ALA 59 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1luv h ALA 59 CO 0.09 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.63 1luv h LEU 60 N 0.00 0.00 -0.69 0.00 4.07 -1.09 -3.37 115.31 114.23 1luv h LEU 60 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1luv h LEU 60 Cb 0.57 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 1luv h LEU 60 CO 0.04 0.00 0.35 1.56 -1.08 0.00 0.00 178.44 179.31 1luv h GLN 61 N 0.00 0.60 -0.62 1.13 4.20 -1.27 -1.84 115.11 117.30 1luv h GLN 61 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1luv h GLN 61 Cb 0.79 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1luv h GLN 61 CO 0.00 0.39 0.39 -1.35 -0.67 0.00 0.00 178.83 177.59 1luv h PRO 62 N 0.61 0.75 -0.39 1.46 0.11 -1.79 -0.48 132.00 132.28 1luv h PRO 62 Ca 0.33 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 1luv h PRO 62 Cb 0.31 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1luv h PRO 62 CO -0.24 0.49 -0.22 0.00 -0.21 0.00 0.00 178.00 177.82 1luv h ALA 63 N 1.26 0.88 -0.28 -0.75 0.00 -1.77 -1.47 119.26 117.13 1luv h ALA 63 Ca 0.25 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1luv h ALA 63 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1luv h ALA 63 CO -0.09 0.63 -0.11 1.25 0.00 0.00 0.00 179.25 180.93 1luv h LEU 64 N 0.67 0.58 -0.42 0.00 7.12 -0.99 -0.68 115.31 121.59 1luv h LEU 64 Ca 0.09 -0.39 -0.10 0.00 0.13 0.00 0.00 57.88 57.61 1luv h LEU 64 Cb 0.73 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1luv h LEU 64 CO 0.06 0.84 -0.11 0.50 -0.13 0.00 0.00 178.44 179.60 1luv h LYS 65 N 0.31 0.82 0.06 1.25 3.64 -1.06 0.13 116.57 121.72 1luv h LYS 65 Ca 0.07 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1luv h LYS 65 Cb 0.61 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1luv h LYS 65 CO 0.04 0.94 -0.03 0.35 -2.27 0.00 0.00 179.45 178.48 1luv h PHE 66 N 0.64 -0.08 0.00 1.91 3.04 -1.25 0.77 116.94 121.98 1luv h PHE 66 Ca 0.10 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.91 1luv h PHE 66 Cb 0.65 0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.20 1luv h PHE 66 CO 0.05 0.26 -0.55 -0.91 -2.02 0.00 0.00 178.31 175.13 1luv h ASN 67 N -0.42 0.48 -0.72 0.41 4.21 -1.18 -0.23 115.58 118.13 1luv h ASN 67 Ca -0.01 -0.77 -0.06 0.00 1.21 0.00 0.00 56.30 56.67 1luv h ASN 67 Cb 0.37 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1luv h ASN 67 CO 0.01 1.19 0.21 1.23 -1.29 0.00 0.00 177.43 178.79 1luv h GLY 68 N -0.18 1.21 1.27 2.83 0.00 -0.85 -1.48 103.07 105.87 1luv h GLY 68 Ca -0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 1luv h GLY 68 CO 0.11 0.67 -0.05 -1.33 0.00 0.00 0.00 176.54 175.94 1luv h GLY 69 N 1.10 0.95 1.01 4.60 0.00 -0.87 -1.58 103.07 108.27 1luv h GLY 69 Ca 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1luv h GLY 69 CO -0.01 0.63 0.53 -1.33 0.00 0.00 0.00 176.54 176.37 1luv h GLY 70 N 0.98 1.16 0.72 4.60 0.00 -0.29 -0.81 103.07 109.44 1luv h GLY 70 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1luv h GLY 70 CO 0.03 0.44 -0.07 0.84 0.00 0.00 0.00 176.54 177.78 1luv h HIS 71 N 1.11 -0.17 -0.05 5.60 6.17 -0.99 -2.04 115.15 124.79 1luv h HIS 71 Ca 0.30 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.41 1luv h HIS 71 Cb -0.11 0.06 -0.05 0.00 2.52 0.00 0.00 27.41 29.83 1luv h HIS 71 CO -0.01 0.13 -0.27 0.82 0.71 0.00 0.00 177.93 179.30 1luv h ILE 72 N -0.47 0.38 -0.08 6.26 2.04 -1.13 -0.96 117.51 123.55 1luv h ILE 72 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1luv h ILE 72 Cb 0.37 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1luv h ILE 72 CO 0.03 0.00 0.05 0.78 0.00 0.00 0.00 178.15 179.01 1luv h ASN 73 N -0.39 0.09 0.06 1.72 2.35 -1.16 -2.52 115.58 115.73 1luv h ASN 73 Ca 0.08 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 1luv h ASN 73 Cb 0.50 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1luv h ASN 73 CO -0.27 0.08 -0.39 0.45 -1.65 0.00 0.00 177.43 175.65 1luv h HIS 74 N 0.09 0.51 -0.78 1.19 3.86 -1.30 -0.56 115.15 118.15 1luv h HIS 74 Ca 0.03 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1luv h HIS 74 Cb 0.01 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1luv h HIS 74 CO -0.07 0.76 0.44 0.77 0.86 0.00 0.00 177.93 180.70 1luv h SER 75 N 0.36 0.95 -0.12 2.45 0.02 -1.03 -1.84 113.55 114.34 1luv h SER 75 Ca 0.03 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1luv h SER 75 Cb 0.85 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1luv h SER 75 CO 0.07 0.75 -0.40 0.40 -1.14 0.00 0.00 176.83 176.52 1luv h ILE 76 N 1.08 1.37 -0.67 3.27 2.04 -1.16 -3.30 117.51 120.14 1luv h ILE 76 Ca 0.28 -1.71 0.11 0.00 1.00 0.00 0.00 64.86 64.54 1luv h ILE 76 Cb -0.00 2.13 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 1luv h ILE 76 CO -0.05 0.51 0.25 0.15 0.00 0.00 0.00 178.15 179.01 1luv h PHE 77 N 0.07 0.43 -0.69 1.37 3.57 -0.61 -1.72 116.94 119.36 1luv h PHE 77 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1luv h PHE 77 Cb 1.02 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1luv h PHE 77 CO 0.11 0.08 0.40 -1.49 -2.23 0.00 0.00 178.31 175.18 1luv h TRP 78 N 0.42 0.75 0.00 0.41 -0.00 -1.43 -2.14 115.95 113.96 1luv h TRP 78 Ca 0.35 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.24 1luv h TRP 78 Cb 0.48 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1luv h TRP 78 CO -0.17 0.38 -0.11 1.79 -0.00 0.00 0.00 178.44 180.33 1luv h THR 79 N 0.76 0.22 0.00 1.49 1.35 -1.50 -2.86 112.91 112.37 1luv h THR 79 Ca 0.30 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1luv h THR 79 Cb 0.13 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1luv h THR 79 CO -0.16 0.10 0.00 0.59 -0.25 0.00 0.00 175.52 175.81 1luv n ASN 80 N -3.18 0.00 -4.58 5.36 5.03 -0.71 -4.69 115.26 112.50 1luv n ASN 80 Ca 0.02 0.35 -0.26 0.00 0.87 0.00 0.00 54.58 55.56 1luv n ASN 80 Cb 0.46 -0.45 -0.09 0.00 -1.02 0.00 0.00 39.78 38.68 1luv n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1luv s LEU 81 N -2.89 3.01 -0.26 3.41 1.43 -1.08 -0.27 118.68 122.03 1luv s LEU 81 Ca 0.15 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 1luv s LEU 81 Cb 0.17 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.82 1luv s LEU 81 CO 0.44 0.08 0.81 -0.55 0.23 0.00 0.00 176.35 177.35 1luv s SER 82 N -3.06 -0.66 0.42 2.29 0.15 0.36 -4.59 113.70 108.62 1luv s SER 82 Ca 0.27 1.24 0.13 0.00 0.70 0.00 0.00 55.95 58.28 1luv s SER 82 Cb -0.08 1.24 0.89 0.00 -1.71 0.00 0.00 66.02 66.36 1luv s SER 82 CO 0.16 -0.24 1.94 1.55 1.20 0.00 0.00 173.24 177.85 1luv h PRO 83 N 4.63 0.06 -0.11 5.44 0.13 -1.85 -1.28 132.00 139.03 1luv h PRO 83 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1luv h PRO 83 Cb 1.16 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1luv h PRO 83 CO 0.09 0.27 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 1luv n ASN 84 N -4.27 1.69 -3.01 1.44 3.02 -1.26 -4.95 115.26 107.92 1luv n ASN 84 Ca -0.02 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 1luv n ASN 84 Cb 0.28 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1luv n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1luv n GLY 85 N 1.17 -3.34 0.00 7.41 0.00 -0.48 -5.00 105.19 104.95 1luv n GLY 85 Ca 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1luv n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1luv n GLY 86 N 0.67 -2.54 7.00 -0.02 0.00 -0.69 -4.61 105.19 105.01 1luv n GLY 86 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1luv n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1luv n GLY 87 N -0.10 0.03 3.50 -0.02 0.00 -1.26 -4.84 105.19 102.49 1luv n GLY 87 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1luv n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1luv s GLU 88 N 0.00 1.72 0.39 1.61 2.02 -1.26 -5.02 118.70 118.15 1luv s GLU 88 Ca 0.00 -1.85 -0.05 0.00 0.02 0.00 0.00 54.97 53.09 1luv s GLU 88 Cb 0.00 -1.64 0.09 0.00 0.10 0.00 0.00 34.13 32.68 1luv s GLU 88 CO 0.00 0.20 0.54 -0.35 0.02 0.00 0.00 175.26 175.66 1luv n PRO 89 N -0.69 -0.30 -4.36 0.39 -0.04 -1.26 -5.01 135.00 123.73 1luv n PRO 89 Ca -0.05 -0.99 -0.22 0.00 -0.04 0.00 0.00 63.50 62.20 1luv n PRO 89 Cb 0.62 -0.50 -0.08 0.00 -0.04 0.00 0.00 33.50 33.50 1luv n PRO 89 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1luv s LYS 90 N -4.05 1.85 2.82 0.54 1.02 -1.26 -4.76 119.74 115.89 1luv s LYS 90 Ca 0.32 -2.10 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1luv s LYS 90 Cb -0.01 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1luv s LYS 90 CO 0.22 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1luv n GLY 91 N -0.74 2.17 0.28 -3.33 0.00 -1.26 -2.82 105.19 99.49 1luv n GLY 91 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1luv n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1luv h GLU 92 N 0.00 0.40 -0.07 1.61 4.81 -2.00 0.02 114.58 119.35 1luv h GLU 92 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1luv h GLU 92 Cb 0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1luv h GLU 92 CO 0.00 0.27 0.03 1.25 -0.73 0.00 0.00 179.01 179.83 1luv h LEU 93 N 0.42 0.10 -1.55 1.64 6.46 -1.95 0.03 115.31 120.45 1luv h LEU 93 Ca 0.44 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1luv h LEU 93 Cb 0.72 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 1luv h LEU 93 CO -0.44 0.24 0.21 0.25 -0.62 0.00 0.00 178.44 178.07 1luv h LEU 94 N -0.04 0.45 0.38 2.25 5.85 -1.26 0.59 115.31 123.52 1luv h LEU 94 Ca 0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1luv h LEU 94 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1luv h LEU 94 CO -0.00 0.36 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.94 1luv h GLU 95 N 0.52 -0.50 -0.26 1.25 4.39 -0.35 -1.58 114.58 118.05 1luv h GLU 95 Ca 0.13 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.90 1luv h GLU 95 Cb 0.01 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1luv h GLU 95 CO -0.02 -0.33 0.08 0.00 -1.16 0.00 0.00 179.01 177.57 1luv h ALA 96 N 0.11 0.28 -0.10 3.43 0.00 -0.31 -0.29 119.26 122.39 1luv h ALA 96 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1luv h ALA 96 Cb 0.40 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1luv h ALA 96 CO 0.08 -0.34 -0.26 0.82 0.00 0.00 0.00 179.25 179.56 1luv h ILE 97 N 0.19 0.40 -0.91 0.00 2.04 -0.73 0.81 117.51 119.31 1luv h ILE 97 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1luv h ILE 97 Cb 0.09 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1luv h ILE 97 CO -0.13 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.66 1luv h LYS 98 N -0.34 1.25 0.39 2.37 1.57 -1.07 0.31 116.57 121.04 1luv h LYS 98 Ca 0.09 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1luv h LYS 98 Cb 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1luv h LYS 98 CO -0.29 0.88 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.19 1luv h ARG 99 N 1.26 -0.51 0.00 3.15 2.43 -0.16 -0.07 114.38 120.49 1luv h ARG 99 Ca 0.32 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1luv h ARG 99 Cb -0.03 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1luv h ARG 99 CO -0.06 -0.22 -0.49 -0.44 -1.51 0.00 0.00 179.97 177.26 1luv h ASP 100 N -0.78 0.00 0.00 -3.80 3.32 0.75 -3.35 116.42 112.56 1luv h ASP 100 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1luv h ASP 100 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1luv h ASP 100 CO 0.09 0.49 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 1luv n PHE 101 N -3.45 0.00 0.00 4.55 3.01 0.11 -5.02 117.46 116.66 1luv n PHE 101 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1luv n PHE 101 Cb 0.62 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 1luv n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1luv n GLY 102 N -0.31 2.47 3.83 1.37 0.00 -0.04 -4.35 105.19 108.15 1luv n GLY 102 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1luv n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1luv s SER 103 N 0.00 -0.08 0.04 1.61 1.04 -1.25 -4.72 113.70 110.34 1luv s SER 103 Ca 0.00 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.41 1luv s SER 103 Cb 0.00 0.66 -0.18 0.00 0.10 0.00 0.00 66.02 66.60 1luv s SER 103 CO 0.00 -1.28 1.50 0.15 0.98 0.00 0.00 173.24 174.59 1luv h PHE 104 N 2.00 -0.03 -0.73 5.02 3.57 -1.90 -1.73 116.94 123.13 1luv h PHE 104 Ca -0.27 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.29 1luv h PHE 104 Cb 1.24 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 1luv h PHE 104 CO 1.01 0.21 0.42 -0.44 -2.23 0.00 0.00 178.31 177.28 1luv h ASP 105 N -0.27 0.64 -0.06 0.41 5.19 -1.96 0.60 116.42 120.96 1luv h ASP 105 Ca -0.00 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1luv h ASP 105 Cb 0.25 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1luv h ASP 105 CO 0.01 0.41 -0.08 0.11 -3.12 0.00 0.00 179.24 176.56 1luv h LYS 106 N 0.77 0.31 -0.32 3.56 1.57 -1.80 -0.90 116.57 119.76 1luv h LYS 106 Ca 0.33 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1luv h LYS 106 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1luv h LYS 106 CO -0.18 0.41 -0.18 0.35 -0.57 0.00 0.00 179.45 179.28 1luv h PHE 107 N 0.30 0.79 -0.76 -1.35 3.57 -0.17 -1.73 116.94 117.59 1luv h PHE 107 Ca 0.06 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1luv h PHE 107 Cb 0.34 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1luv h PHE 107 CO 0.01 0.91 0.47 0.87 -2.23 0.00 0.00 178.31 178.33 1luv h LYS 108 N 0.44 1.03 -0.03 1.11 1.57 -0.30 0.05 116.57 120.44 1luv h LYS 108 Ca 0.07 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1luv h LYS 108 Cb 0.72 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1luv h LYS 108 CO 0.05 0.72 0.02 0.93 -0.57 0.00 0.00 179.45 180.60 1luv h GLU 109 N 1.04 0.04 -0.42 3.15 5.08 -1.09 -0.22 114.58 122.16 1luv h GLU 109 Ca 0.27 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1luv h GLU 109 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1luv h GLU 109 CO -0.05 0.10 0.17 0.87 -1.00 0.00 0.00 179.01 179.10 1luv h LYS 110 N -0.02 0.63 -0.36 2.33 1.57 -0.98 0.11 116.57 119.84 1luv h LYS 110 Ca 0.01 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1luv h LYS 110 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1luv h LYS 110 CO -0.00 0.58 -0.17 1.25 -0.57 0.00 0.00 179.45 180.54 1luv h LEU 111 N 0.54 0.78 -0.20 2.94 5.85 -0.96 -1.59 115.31 122.66 1luv h LEU 111 Ca 0.14 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1luv h LEU 111 Cb 0.18 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1luv h LEU 111 CO -0.01 1.01 -0.01 0.74 -0.34 0.00 0.00 178.44 179.82 1luv h THR 112 N 0.54 0.84 -0.61 1.05 2.02 -0.88 -0.88 112.91 115.00 1luv h THR 112 Ca 0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1luv h THR 112 Cb 0.71 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1luv h THR 112 CO 0.05 0.01 0.34 0.00 0.37 0.00 0.00 175.52 176.29 1luv h ALA 113 N 1.18 1.45 -0.36 6.16 0.00 -0.67 0.33 119.26 127.34 1luv h ALA 113 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1luv h ALA 113 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1luv h ALA 113 CO -0.17 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.29 1luv h ALA 114 N 1.53 0.88 -0.15 0.00 0.00 -0.77 -0.19 119.26 120.56 1luv h ALA 114 Ca 0.22 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1luv h ALA 114 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1luv h ALA 114 CO -0.04 0.63 -0.45 0.77 0.00 0.00 0.00 179.25 180.16 1luv h SER 115 N 0.64 0.65 0.71 0.00 0.02 -0.17 -3.09 113.55 112.31 1luv h SER 115 Ca 0.08 -0.60 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 1luv h SER 115 Cb 0.76 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1luv h SER 115 CO 0.06 1.14 -0.36 0.58 -1.14 0.00 0.00 176.83 177.11 1luv h VAL 116 N 0.21 0.93 0.00 2.27 2.07 -0.37 -3.06 116.25 118.30 1luv h VAL 116 Ca -0.01 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1luv h VAL 116 Cb 1.07 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1luv h VAL 116 CO 0.10 0.35 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1luv n GLY 117 N 0.03 -1.24 3.66 2.17 0.00 -0.09 -4.77 105.19 104.95 1luv n GLY 117 Ca -0.01 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1luv n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1luv s VAL 118 N -2.95 3.94 -0.40 1.61 0.11 -1.16 -4.95 120.40 116.60 1luv s VAL 118 Ca 0.12 1.14 -0.22 0.00 -2.93 0.00 0.00 61.98 60.09 1luv s VAL 118 Cb 0.15 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 1luv s VAL 118 CO 0.40 -0.11 0.71 -1.10 -3.33 0.00 0.00 175.10 171.67 1luv s GLN 119 N 3.78 3.54 0.46 1.54 -0.21 -1.26 -4.83 119.66 122.69 1luv s GLN 119 Ca 0.64 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 56.00 1luv s GLN 119 Cb -0.27 -3.87 0.00 0.00 1.00 0.00 0.00 33.01 29.87 1luv s GLN 119 CO 0.22 -0.92 0.00 0.41 -2.12 0.00 0.00 175.29 172.87 1luv n GLY 120 N 4.80 0.16 3.83 3.09 0.00 -1.26 -4.93 105.19 110.88 1luv n GLY 120 Ca 0.01 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1luv n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1luv s SER 121 N -4.00 6.90 0.00 1.61 0.01 -1.26 -4.84 113.70 112.12 1luv s SER 121 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1luv s SER 121 Cb 0.00 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1luv s SER 121 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1luv n GLY 122 N 1.58 -1.01 2.98 3.44 0.00 -1.26 -0.00 105.19 110.91 1luv n GLY 122 Ca -0.11 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1luv n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1luv s TRP 123 N -3.00 0.27 -0.04 1.61 0.52 0.54 -1.58 118.94 117.25 1luv s TRP 123 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1luv s TRP 123 Cb 0.00 -0.19 -0.03 0.00 -1.15 0.00 0.00 33.47 32.09 1luv s TRP 123 CO 0.00 -0.18 -0.01 0.20 0.02 0.00 0.00 176.95 176.98 1luv s GLY 124 N -1.43 1.85 0.03 0.98 0.00 -0.59 -0.63 107.32 107.53 1luv s GLY 124 Ca -0.15 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1luv s GLY 124 CO -0.01 -0.70 -0.06 -0.98 0.00 0.00 0.00 173.10 171.35 1luv s TRP 125 N -0.98 0.49 -0.24 1.90 0.52 0.62 -0.97 118.94 120.29 1luv s TRP 125 Ca 0.16 -0.49 -0.05 0.00 0.02 0.00 0.00 56.10 55.75 1luv s TRP 125 Cb -0.11 -0.31 -0.01 0.00 -1.15 0.00 0.00 33.47 31.89 1luv s TRP 125 CO 0.06 -0.12 -0.01 -1.17 0.02 0.00 0.00 176.95 175.73 1luv s LEU 126 N -1.46 3.12 0.00 2.99 2.96 0.15 -1.87 118.68 124.57 1luv s LEU 126 Ca -0.12 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1luv s LEU 126 Cb -0.10 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1luv s LEU 126 CO -0.00 -0.05 0.08 0.61 -1.32 0.00 0.00 176.35 175.66 1luv n GLY 127 N 4.81 3.61 3.01 7.98 0.00 0.59 -0.87 105.19 124.32 1luv n GLY 127 Ca -0.17 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 1luv n GLY 127 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1luv s PHE 128 N -2.43 1.62 -0.59 1.61 5.36 0.09 -1.70 117.98 121.93 1luv s PHE 128 Ca 0.11 -0.69 -0.22 0.00 -0.96 0.00 0.00 56.93 55.17 1luv s PHE 128 Cb 0.01 -1.21 0.07 0.00 -0.34 0.00 0.00 43.02 41.54 1luv s PHE 128 CO 0.08 -0.39 0.84 1.21 -1.46 0.00 0.00 175.22 175.50 1luv s ASN 129 N 0.98 6.22 0.36 6.13 3.84 0.78 -1.48 114.94 131.77 1luv s ASN 129 Ca -0.08 -0.90 0.04 0.00 0.21 0.00 0.00 52.86 52.13 1luv s ASN 129 Cb -0.15 -2.38 0.69 0.00 -0.55 0.00 0.00 41.25 38.86 1luv s ASN 129 CO -0.00 -1.22 1.97 0.11 -2.79 0.00 0.00 177.10 175.17 1luv h LYS 130 N 9.33 0.64 0.17 0.43 1.79 -1.87 0.55 116.57 127.61 1luv h LYS 130 Ca -0.28 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1luv h LYS 130 Cb 1.08 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1luv h LYS 130 CO 1.10 0.50 -0.08 0.93 -1.08 0.00 0.00 179.45 180.82 1luv h GLU 131 N 0.64 -0.23 0.00 3.15 5.08 -1.95 -3.14 114.58 118.14 1luv h GLU 131 Ca 0.16 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1luv h GLU 131 Cb 0.07 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1luv h GLU 131 CO -0.02 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1luv h ARG 132 N -0.58 0.00 -2.79 2.33 2.47 -1.97 -3.47 114.38 110.38 1luv h ARG 132 Ca -0.02 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.47 1luv h ARG 132 Cb 0.43 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.79 1luv h ARG 132 CO 0.04 0.00 -0.34 0.41 0.56 0.00 0.00 179.97 180.64 1luv n GLY 133 N 0.93 0.02 3.36 0.04 0.00 0.19 -5.02 105.19 104.71 1luv n GLY 133 Ca 0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1luv n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1luv s HIS 134 N -2.91 0.91 0.64 1.61 -3.43 -1.03 -4.98 115.29 106.09 1luv s HIS 134 Ca 0.18 -1.17 -0.12 0.00 -0.80 0.00 0.00 55.06 53.15 1luv s HIS 134 Cb -0.08 -0.28 -0.02 0.00 -1.43 0.00 0.00 32.58 30.76 1luv s HIS 134 CO 0.23 -0.81 1.04 -0.51 -2.00 0.00 0.00 174.74 172.69 1luv s LEU 135 N -3.13 3.27 -0.24 5.38 1.43 -1.26 -0.16 118.68 123.98 1luv s LEU 135 Ca 0.33 1.59 -0.21 0.00 -1.03 0.00 0.00 54.13 54.81 1luv s LEU 135 Cb 0.04 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1luv s LEU 135 CO 0.12 -1.14 0.63 -1.58 0.23 0.00 0.00 176.35 174.62 1luv s GLN 136 N -4.82 0.72 -0.06 1.70 0.74 -0.69 -4.76 119.66 112.49 1luv s GLN 136 Ca 0.58 0.92 -0.04 0.00 0.05 0.00 0.00 55.36 56.88 1luv s GLN 136 Cb -0.13 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 1luv s GLN 136 CO 0.49 -0.10 0.11 0.42 -0.55 0.00 0.00 175.29 175.66 1luv s ILE 137 N 0.54 5.08 0.18 -2.34 1.01 -1.26 -0.30 121.20 124.12 1luv s ILE 137 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1luv s ILE 137 Cb -0.05 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1luv s ILE 137 CO -0.02 0.49 0.38 0.00 0.00 0.00 0.00 174.94 175.79 1luv s ALA 138 N -1.11 -0.32 0.01 9.38 0.00 -0.78 -4.99 121.76 123.95 1luv s ALA 138 Ca 0.19 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1luv s ALA 138 Cb -0.12 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1luv s ALA 138 CO 0.09 -0.72 -0.17 0.00 0.00 0.00 0.00 175.76 174.96 1luv s ALA 139 N -3.94 1.46 -0.02 0.00 0.00 -1.26 -0.28 121.76 117.71 1luv s ALA 139 Ca 0.15 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1luv s ALA 139 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1luv s ALA 139 CO 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 175.76 175.91 1luv s PRO 141 N -0.32 4.34 3.19 0.00 0.04 -1.26 -0.34 135.00 140.65 1luv s PRO 141 Ca 0.04 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1luv s PRO 141 Cb -0.09 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1luv s PRO 141 CO 0.00 0.15 0.00 0.09 0.04 0.00 0.00 177.00 177.28 1luv n ASN 142 N -0.02 0.00 -0.92 6.66 3.02 0.99 -0.94 115.26 124.05 1luv n ASN 142 Ca 0.04 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.66 1luv n ASN 142 Cb 0.52 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.91 1luv n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1luv n GLN 143 N 14.00 2.96 -1.62 3.52 1.13 -1.26 -4.14 117.38 131.97 1luv n GLN 143 Ca 0.00 -2.37 -0.53 0.00 -1.94 0.00 0.00 57.00 52.17 1luv n GLN 143 Cb 0.00 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.81 1luv n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1luv n ASP 144 N 0.66 2.62 -4.77 1.08 10.43 -0.12 -4.08 116.55 122.38 1luv n ASP 144 Ca 0.17 0.84 -0.39 0.00 2.57 0.00 0.00 54.79 57.97 1luv n ASP 144 Cb 0.58 -1.25 -0.04 0.00 1.84 0.00 0.00 41.12 42.25 1luv n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1luv s PRO 145 N 4.56 4.47 0.10 -0.24 0.04 -1.26 -4.66 135.00 138.02 1luv s PRO 145 Ca 1.00 1.74 -0.35 0.00 0.04 0.00 0.00 61.00 63.43 1luv s PRO 145 Cb -0.89 -2.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.52 1luv s PRO 145 CO 0.57 0.08 1.56 1.25 0.04 0.00 0.00 177.00 180.49 1luv h LEU 146 N 3.38 -1.59 -0.31 -3.56 5.85 -1.90 -2.54 115.31 114.65 1luv h LEU 146 Ca -0.47 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1luv h LEU 146 Cb 1.21 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1luv h LEU 146 CO 0.65 -0.56 0.04 -0.61 -0.34 0.00 0.00 178.44 177.62 1luv h GLN 147 N -0.77 0.52 0.00 1.25 4.15 -1.88 0.22 115.11 118.60 1luv h GLN 147 Ca -0.01 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1luv h GLN 147 Cb 0.77 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 1luv h GLN 147 CO -0.28 0.62 -0.12 0.78 -1.93 0.00 0.00 178.83 177.90 1luv h GLY 148 N 0.34 0.00 0.00 2.39 0.00 -1.87 0.22 103.07 104.15 1luv h GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1luv h GLY 148 CO 0.01 0.00 -1.10 -1.30 0.00 0.00 0.00 176.54 174.15 1luv n THR 149 N -4.03 0.00 0.00 4.70 -2.24 -0.96 -4.72 114.28 107.03 1luv n THR 149 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1luv n THR 149 Cb 0.21 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1luv n THR 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1luv n THR 150 N -1.63 0.00 -0.18 4.28 -1.04 0.75 -5.01 114.28 111.46 1luv n THR 150 Ca -0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1luv n THR 150 Cb 0.24 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 1luv n THR 150 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1luv n GLY 151 N 1.29 2.56 3.81 3.41 0.00 0.06 -4.98 105.19 111.35 1luv n GLY 151 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1luv n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1luv s LEU 152 N 0.00 3.93 -0.23 0.99 1.43 -1.26 -4.80 118.68 118.74 1luv s LEU 152 Ca 0.00 1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 1luv s LEU 152 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 1luv s LEU 152 CO 0.00 -0.43 0.69 -0.63 0.23 0.00 0.00 176.35 176.21 1luv s ILE 153 N -2.13 4.95 0.19 -0.59 -1.09 -0.55 -2.99 121.20 119.00 1luv s ILE 153 Ca 0.63 1.29 -0.31 0.00 -2.23 0.00 0.00 60.65 60.03 1luv s ILE 153 Cb -0.11 -4.00 -0.10 0.00 -1.58 0.00 0.00 42.46 36.68 1luv s ILE 153 CO 0.15 0.02 1.47 -2.16 -1.23 0.00 0.00 174.94 173.19 1luv s PRO 154 N 2.43 4.26 -0.02 2.79 0.04 -1.26 -0.73 135.00 142.51 1luv s PRO 154 Ca 0.30 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 1luv s PRO 154 Cb -0.16 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1luv s PRO 154 CO 0.09 -0.48 -0.02 1.28 0.04 0.00 0.00 177.00 177.90 1luv n LEU 155 N 3.25 1.51 -3.69 -3.56 4.77 -0.05 -4.90 117.00 114.33 1luv n LEU 155 Ca 0.10 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 1luv n LEU 155 Cb 0.40 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1luv n LEU 155 CO 0.60 0.28 -0.17 -0.22 -1.33 0.00 0.00 177.39 176.56 1luv s LEU 156 N -5.64 0.09 0.09 2.23 2.96 -0.89 -4.48 118.68 113.03 1luv s LEU 156 Ca -0.03 0.48 0.09 0.00 -0.22 0.00 0.00 54.13 54.45 1luv s LEU 156 Cb 0.01 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.24 1luv s LEU 156 CO 0.04 -0.21 -0.23 -0.83 -1.32 0.00 0.00 176.35 173.81 1luv s GLY 157 N 1.89 1.56 -0.24 7.98 0.00 -1.26 -0.67 107.32 116.58 1luv s GLY 157 Ca -0.03 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 1luv s GLY 157 CO -0.08 -1.27 0.01 -0.42 0.00 0.00 0.00 173.10 171.34 1luv s ILE 158 N -0.99 1.12 -0.18 0.90 1.01 -0.14 -4.89 121.20 118.03 1luv s ILE 158 Ca 0.15 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 1luv s ILE 158 Cb -0.10 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1luv s ILE 158 CO 0.06 -0.26 1.48 -0.62 0.00 0.00 0.00 174.94 175.61 1luv s ASP 159 N 1.56 6.64 -0.20 3.58 3.68 -1.26 -1.54 116.67 129.13 1luv s ASP 159 Ca -0.01 1.72 0.15 0.00 2.13 0.00 0.00 52.55 56.54 1luv s ASP 159 Cb -0.18 -2.53 0.46 0.00 -1.45 0.00 0.00 42.92 39.22 1luv s ASP 159 CO -0.10 -1.02 1.36 1.33 0.13 0.00 0.00 175.17 176.87 1luv n VAL 160 N 5.88 2.26 -1.92 1.11 0.24 -0.62 -4.83 118.33 120.46 1luv n VAL 160 Ca 0.17 -2.28 -0.35 0.00 -2.04 0.00 0.00 64.34 59.84 1luv n VAL 160 Cb 0.45 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.59 1luv n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1luv s TRP 161 N -2.98 2.49 0.42 6.34 0.52 -1.21 -4.49 118.94 120.04 1luv s TRP 161 Ca 0.40 1.55 0.12 0.00 0.02 0.00 0.00 56.10 58.19 1luv s TRP 161 Cb 0.35 -3.33 0.92 0.00 -1.15 0.00 0.00 33.47 30.26 1luv s TRP 161 CO 0.04 -1.92 1.98 0.93 0.02 0.00 0.00 176.95 178.00 1luv h GLU 162 N 0.54 0.14 0.00 4.98 5.08 -1.94 -1.83 114.58 121.55 1luv h GLU 162 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1luv h GLU 162 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1luv h GLU 162 CO 0.54 0.26 0.00 -2.39 -1.00 0.00 0.00 179.01 176.43 1luv n HIS 163 N -4.33 0.72 0.90 4.33 1.44 -1.26 -0.20 115.22 116.83 1luv n HIS 163 Ca -0.01 0.34 0.13 0.00 -2.01 0.00 0.00 57.72 56.17 1luv n HIS 163 Cb 0.23 -1.04 0.49 0.00 0.12 0.00 0.00 29.99 29.78 1luv n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1luv n ALA 164 N -1.76 2.57 -0.30 1.59 0.00 -0.69 -4.55 120.51 117.37 1luv n ALA 164 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1luv n ALA 164 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1luv n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1luv n TYR 165 N -1.68 0.00 -0.16 0.00 4.11 -0.66 -5.00 117.16 113.77 1luv n TYR 165 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.93 1luv n TYR 165 Cb 0.36 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.76 1luv n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1luv h TYR 166 N 0.00 0.31 -0.57 -3.48 3.20 -0.78 0.20 116.97 115.85 1luv h TYR 166 Ca 0.00 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.02 1luv h TYR 166 Cb 0.00 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1luv h TYR 166 CO 0.00 0.10 0.40 -0.07 -1.64 0.00 0.00 178.16 176.95 1luv h LEU 167 N 0.35 0.20 0.00 2.82 3.38 -1.89 0.51 115.31 120.69 1luv h LEU 167 Ca 0.24 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.82 1luv h LEU 167 Cb 0.25 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1luv h LEU 167 CO -0.24 0.11 -2.18 1.67 0.09 0.00 0.00 178.44 177.89 1luv n GLN 168 N -4.44 0.59 0.00 1.13 7.27 -0.97 -4.65 117.38 116.31 1luv n GLN 168 Ca 0.10 0.34 0.11 0.00 0.07 0.00 0.00 57.00 57.62 1luv n GLN 168 Cb 0.49 -1.57 0.06 0.00 2.41 0.00 0.00 30.24 31.63 1luv n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1luv n TYR 169 N -4.20 0.00 -1.72 3.69 4.02 0.02 -5.06 117.16 113.92 1luv n TYR 169 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1luv n TYR 169 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.17 1luv n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1luv n LYS 170 N 0.87 0.00 0.00 -0.72 4.76 0.18 -1.53 118.16 121.71 1luv n LYS 170 Ca 0.12 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 1luv n LYS 170 Cb 0.51 0.00 0.42 0.00 -1.84 0.00 0.00 35.03 34.12 1luv n LYS 170 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1luv n ASN 171 N 1.69 0.00 -4.11 4.39 6.94 -1.26 -4.38 115.26 118.52 1luv n ASN 171 Ca 0.00 0.46 -0.43 0.00 -0.02 0.00 0.00 54.58 54.60 1luv n ASN 171 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1luv n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1luv n VAL 172 N -1.48 4.06 -0.07 3.53 0.31 -0.58 -4.79 118.33 119.30 1luv n VAL 172 Ca 0.05 -4.13 0.10 0.00 -0.01 0.00 0.00 64.34 60.35 1luv n VAL 172 Cb 0.22 -2.44 0.48 0.00 -0.91 0.00 0.00 33.84 31.19 1luv n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1luv h ARG 173 N 6.47 0.43 0.00 5.55 2.43 -1.83 -2.07 114.38 125.37 1luv h ARG 173 Ca 0.42 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1luv h ARG 173 Cb 0.73 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1luv h ARG 173 CO 1.56 0.29 -0.14 -1.35 -1.51 0.00 0.00 179.97 178.81 1luv h PRO 174 N 0.45 0.00 -0.05 0.20 0.11 -1.97 -1.91 132.00 128.82 1luv h PRO 174 Ca 0.25 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.19 1luv h PRO 174 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1luv h PRO 174 CO -0.07 0.14 -0.71 -0.44 -0.21 0.00 0.00 178.00 176.71 1luv h ASP 175 N 0.00 0.32 -0.28 -2.05 5.19 -1.77 -1.73 116.42 116.11 1luv h ASP 175 Ca -0.00 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.14 1luv h ASP 175 Cb 0.31 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1luv h ASP 175 CO 0.02 0.93 -0.03 0.22 -3.12 0.00 0.00 179.24 177.26 1luv h TYR 176 N 0.19 0.57 -0.57 4.55 5.03 -1.42 -1.64 116.97 123.67 1luv h TYR 176 Ca -0.02 -0.11 -0.07 0.00 2.58 0.00 0.00 58.73 61.11 1luv h TYR 176 Cb 1.27 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 1luv h TYR 176 CO 0.03 0.69 0.08 -0.07 -1.32 0.00 0.00 178.16 177.57 1luv h LEU 177 N 0.28 0.88 -0.33 2.82 4.07 -1.33 -0.90 115.31 120.80 1luv h LEU 177 Ca 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1luv h LEU 177 Cb 0.49 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1luv h LEU 177 CO 0.02 0.90 0.21 0.50 -1.08 0.00 0.00 178.44 178.98 1luv h LYS 178 N 0.87 0.44 -0.27 1.13 1.63 -1.15 -3.02 116.57 116.20 1luv h LYS 178 Ca 0.18 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.84 1luv h LYS 178 Cb 0.40 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1luv h LYS 178 CO 0.01 0.32 -0.28 0.00 -3.45 0.00 0.00 179.45 176.05 1luv h ALA 179 N 1.10 1.01 0.00 5.00 0.00 -0.95 -3.24 119.26 122.18 1luv h ALA 179 Ca 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1luv h ALA 179 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1luv h ALA 179 CO -0.02 0.59 -0.13 0.97 0.00 0.00 0.00 179.25 180.66 1luv h ILE 180 N 0.47 0.95 -0.25 0.00 2.10 -1.04 -2.18 117.51 117.57 1luv h ILE 180 Ca 0.06 -0.46 0.07 0.00 1.08 0.00 0.00 64.86 65.62 1luv h ILE 180 Cb 0.73 1.26 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1luv h ILE 180 CO 0.06 0.12 0.19 -0.50 -1.08 0.00 0.00 178.15 176.94 1luv h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.61 -0.92 115.95 119.67 1luv h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1luv h TRP 181 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1luv h TRP 181 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 1luv n ASN 182 N -4.39 0.51 -0.15 -3.49 4.13 -0.82 -3.14 115.26 107.91 1luv n ASN 182 Ca 0.03 0.64 0.08 0.00 1.68 0.00 0.00 54.58 57.01 1luv n ASN 182 Cb 0.34 -0.74 0.12 0.00 -1.54 0.00 0.00 39.78 37.96 1luv n ASN 182 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1luv n VAL 183 N -2.07 1.59 -2.32 2.41 0.24 -0.35 -2.29 118.33 115.53 1luv n VAL 183 Ca 0.02 -1.92 -0.41 0.00 -2.04 0.00 0.00 64.34 59.99 1luv n VAL 183 Cb 0.19 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 1luv n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1luv s ILE 184 N -2.42 3.32 -1.04 1.34 -1.09 -1.19 -0.48 121.20 119.65 1luv s ILE 184 Ca 0.27 1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 59.76 1luv s ILE 184 Cb 0.24 -3.76 0.22 0.00 -1.58 0.00 0.00 42.46 37.58 1luv s ILE 184 CO 0.02 0.23 1.10 0.21 -1.23 0.00 0.00 174.94 175.27 1luv s ASN 185 N -0.19 7.05 0.64 3.58 3.84 0.63 -1.70 114.94 128.80 1luv s ASN 185 Ca 0.51 -3.06 0.38 0.00 0.21 0.00 0.00 52.86 50.89 1luv s ASN 185 Cb -0.35 -2.27 2.13 0.00 -0.55 0.00 0.00 41.25 40.21 1luv s ASN 185 CO 0.41 -0.55 2.28 -0.50 -2.79 0.00 0.00 177.10 175.95 1luv h TRP 186 N 7.30 0.00 -0.26 0.43 4.06 -1.88 -0.90 115.95 124.70 1luv h TRP 186 Ca 0.19 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.10 1luv h TRP 186 Cb 0.93 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.08 1luv h TRP 186 CO 0.95 0.00 0.01 0.93 -3.56 0.00 0.00 178.44 176.77 1luv h GLU 187 N 0.00 0.45 -0.31 0.49 3.07 -1.96 0.18 114.58 116.50 1luv h GLU 187 Ca 0.01 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1luv h GLU 187 Cb 0.11 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1luv h GLU 187 CO -0.00 0.61 0.03 -0.97 -1.40 0.00 0.00 179.01 177.28 1luv h ASN 188 N 0.23 0.51 -0.74 1.42 -0.73 -1.46 -0.81 115.58 114.00 1luv h ASN 188 Ca 0.07 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1luv h ASN 188 Cb 0.40 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1luv h ASN 188 CO 0.01 0.67 0.47 0.58 -0.37 0.00 0.00 177.43 178.78 1luv h VAL 189 N 0.35 1.20 -0.23 2.57 2.07 -1.29 -1.18 116.25 119.73 1luv h VAL 189 Ca 0.09 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1luv h VAL 189 Cb 0.38 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1luv h VAL 189 CO 0.01 0.20 0.12 0.74 0.02 0.00 0.00 177.57 178.66 1luv h THR 190 N 1.01 1.00 -0.26 2.57 2.02 -0.43 -1.09 112.91 117.72 1luv h THR 190 Ca 0.27 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.43 1luv h THR 190 Cb -0.07 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 1luv h THR 190 CO -0.05 0.05 -0.20 -0.33 0.37 0.00 0.00 175.52 175.35 1luv h GLU 191 N 0.25 -0.18 -0.83 6.66 5.08 -0.54 0.69 114.58 125.71 1luv h GLU 191 Ca 0.09 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1luv h GLU 191 Cb 0.02 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1luv h GLU 191 CO -0.06 -0.12 0.55 0.00 -1.00 0.00 0.00 179.01 178.37 1luv h ARG 192 N -0.19 1.08 0.35 2.33 3.08 -0.87 -0.81 114.38 119.35 1luv h ARG 192 Ca 0.15 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1luv h ARG 192 Cb 0.41 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1luv h ARG 192 CO -0.38 0.71 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.15 1luv h TYR 193 N 1.11 -0.44 0.00 3.04 5.03 -0.07 -2.82 116.97 122.82 1luv h TYR 193 Ca 0.31 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.60 1luv h TYR 193 Cb -0.11 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.31 1luv h TYR 193 CO -0.00 -0.14 -0.01 0.52 -1.32 0.00 0.00 178.16 177.21 1luv h MET 194 N -0.72 0.00 0.00 1.82 2.86 -0.73 -1.20 114.93 116.97 1luv h MET 194 Ca -0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1luv h MET 194 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1luv h MET 194 CO 0.08 0.01 -0.37 0.00 1.06 0.00 0.00 176.91 177.68 1luv h ALA 195 N 1.99 1.17 -0.16 6.32 0.00 -0.89 -3.07 119.26 124.62 1luv h ALA 195 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1luv h ALA 195 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1luv h ALA 195 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1luv n LYS 197 N 0.92 1.97 0.00 0.00 0.00 -0.93 -5.00 118.16 115.13 1luv n LYS 197 Ca 0.11 -1.43 0.08 0.00 0.00 0.00 0.00 58.31 57.08 1luv n LYS 197 Cb 0.43 -1.46 0.50 0.00 0.00 0.00 0.00 35.03 34.50 1luv n LYS 197 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76