#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ar1 h ASP 2 N 0.00 -0.24 -0.44 1.08 3.58 -2.01 -3.35 116.42 115.04 1ar1 h ASP 2 Ca 0.00 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1ar1 h ASP 2 Cb 0.00 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1ar1 h ASP 2 CO 0.00 -0.03 -0.05 1.62 -2.88 0.00 0.00 179.24 177.90 1ar1 h VAL 3 N -0.56 1.27 0.00 2.25 3.04 -1.99 -3.23 116.25 117.02 1ar1 h VAL 3 Ca -0.03 -1.13 -0.69 0.00 -1.01 0.00 0.00 66.70 63.84 1ar1 h VAL 3 Cb 0.21 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 1ar1 h VAL 3 CO 0.05 0.39 3.29 0.18 -1.01 0.00 0.00 177.57 180.46 1ar1 n LEU 4 N -4.34 7.23 -4.79 3.16 4.77 -1.26 -4.91 117.00 116.86 1ar1 n LEU 4 Ca -0.00 -4.11 -0.33 0.00 -0.03 0.00 0.00 56.01 51.53 1ar1 n LEU 4 Cb 0.34 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 39.77 1ar1 n LEU 4 CO 0.42 1.30 -0.24 -0.83 -1.33 0.00 0.00 177.39 176.71 1ar1 s GLY 5 N 3.00 2.03 -1.65 -0.72 0.00 -1.22 -3.16 107.32 105.60 1ar1 s GLY 5 Ca 0.54 -0.84 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 1ar1 s GLY 5 CO -0.07 -0.70 0.83 1.22 0.00 0.00 0.00 173.10 174.38 1ar1 n ASP 6 N 1.29 -3.72 -4.77 1.64 8.00 -1.26 -4.92 116.55 112.79 1ar1 n ASP 6 Ca -0.14 -0.93 -0.38 0.00 0.71 0.00 0.00 54.79 54.05 1ar1 n ASP 6 Cb 0.53 -3.02 -0.04 0.00 -0.02 0.00 0.00 41.12 38.56 1ar1 n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ar1 s LEU 7 N -7.24 4.29 0.48 0.64 1.43 -1.26 -5.02 118.68 112.00 1ar1 s LEU 7 Ca 0.72 2.13 -0.19 0.00 -1.03 0.00 0.00 54.13 55.76 1ar1 s LEU 7 Cb -0.39 -3.98 -0.09 0.00 0.03 0.00 0.00 46.19 41.77 1ar1 s LEU 7 CO 0.89 -0.37 0.97 -2.16 0.23 0.00 0.00 176.35 175.91 1ar1 s PRO 8 N -2.10 4.05 -0.50 1.29 0.04 -1.26 -4.75 135.00 131.77 1ar1 s PRO 8 Ca 0.53 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1ar1 s PRO 8 Cb -0.26 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1ar1 s PRO 8 CO 0.33 -0.18 0.69 0.08 0.04 0.00 0.00 177.00 177.96 1ar1 s VAL 9 N -2.39 4.77 0.00 -0.36 1.01 -1.26 0.14 120.40 122.31 1ar1 s VAL 9 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ar1 s VAL 9 Cb -0.10 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1ar1 s VAL 9 CO 0.22 -0.81 0.00 -0.38 0.00 0.00 0.00 175.10 174.14 1ar1 n ILE 10 N 5.79 0.00 -1.47 2.22 2.08 0.61 -4.78 119.36 123.82 1ar1 n ILE 10 Ca -0.04 0.32 -0.28 0.00 0.56 0.00 0.00 62.75 63.31 1ar1 n ILE 10 Cb 0.46 -1.32 -0.09 0.00 -0.75 0.00 0.00 39.64 37.95 1ar1 n ILE 10 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ar1 n GLY 11 N 1.89 0.62 3.10 7.39 0.00 -0.96 -4.66 105.19 112.57 1ar1 n GLY 11 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1ar1 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ar1 s LYS 12 N 7.10 0.24 0.86 1.61 2.20 -1.26 -0.43 119.74 130.06 1ar1 s LYS 12 Ca 0.72 0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 56.78 1ar1 s LYS 12 Cb 0.03 -0.09 0.11 0.00 -1.51 0.00 0.00 37.83 36.38 1ar1 s LYS 12 CO 0.19 -0.15 1.14 -1.25 -0.36 0.00 0.00 175.35 174.92 1ar1 s PRO 13 N 1.20 1.40 0.06 4.03 0.04 -1.26 -4.91 135.00 135.56 1ar1 s PRO 13 Ca -0.09 1.51 0.09 0.00 0.04 0.00 0.00 61.00 62.55 1ar1 s PRO 13 Cb -0.09 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1ar1 s PRO 13 CO -0.09 -2.34 -0.23 0.08 0.04 0.00 0.00 177.00 174.46 1ar1 s VAL 14 N -2.61 2.44 0.23 -0.36 1.01 -1.26 -5.10 120.40 114.76 1ar1 s VAL 14 Ca 0.67 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1ar1 s VAL 14 Cb -0.23 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 1ar1 s VAL 14 CO 0.56 0.29 1.39 0.21 0.00 0.00 0.00 175.10 177.54 1ar1 s ASN 15 N -1.53 6.74 0.00 3.32 2.47 -1.26 -2.08 114.94 122.60 1ar1 s ASN 15 Ca 0.14 2.58 0.00 0.00 0.42 0.00 0.00 52.86 55.99 1ar1 s ASN 15 Cb -0.10 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1ar1 s ASN 15 CO 0.04 -0.64 0.00 0.61 -3.72 0.00 0.00 177.10 173.40 1ar1 n GLY 16 N 2.21 0.41 3.76 1.21 0.00 -1.26 -4.99 105.19 106.54 1ar1 n GLY 16 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ar1 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ar1 s GLY 17 N -2.00 2.79 -0.00 -0.02 0.00 -0.88 -4.94 107.32 102.26 1ar1 s GLY 17 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 44.72 45.77 1ar1 s GLY 17 CO 0.00 1.49 0.04 1.03 0.00 0.00 0.00 173.10 175.66 1ar1 n MET 18 N -0.86 3.88 -2.96 2.90 2.81 -1.26 -5.01 117.12 116.61 1ar1 n MET 18 Ca 0.09 -0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.82 1ar1 n MET 18 Cb 0.48 -0.75 -0.01 0.00 -0.71 0.00 0.00 33.22 32.23 1ar1 n MET 18 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ar1 n ASN 19 N -1.24 2.16 -4.69 7.83 3.02 -1.26 -5.13 115.26 115.96 1ar1 n ASN 19 Ca 0.00 -2.11 -0.29 0.00 -0.03 0.00 0.00 54.58 52.15 1ar1 n ASN 19 Cb 0.02 0.03 0.17 0.00 -0.61 0.00 0.00 39.78 39.39 1ar1 n ASN 19 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ar1 s PHE 20 N -1.64 2.15 0.54 3.10 0.08 -1.26 -5.04 117.98 115.91 1ar1 s PHE 20 Ca 0.14 1.07 -0.15 0.00 0.12 0.00 0.00 56.93 58.10 1ar1 s PHE 20 Cb -0.01 -3.23 -0.07 0.00 -0.57 0.00 0.00 43.02 39.14 1ar1 s PHE 20 CO 0.09 -2.76 1.00 -0.65 -0.10 0.00 0.00 175.22 172.79 1ar1 s GLN 21 N -4.95 3.85 -0.40 0.44 -0.21 -1.26 -4.92 119.66 112.21 1ar1 s GLN 21 Ca 0.65 0.93 -0.43 0.00 0.02 0.00 0.00 55.36 56.53 1ar1 s GLN 21 Cb -0.18 -2.12 -0.17 0.00 1.00 0.00 0.00 33.01 31.53 1ar1 s GLN 21 CO 0.57 -0.36 1.78 -2.30 -2.12 0.00 0.00 175.29 172.87 1ar1 n PRO 22 N -1.82 0.58 -1.67 2.91 -0.02 -1.26 -4.81 135.00 128.90 1ar1 n PRO 22 Ca 0.07 0.20 -0.44 0.00 -2.02 0.00 0.00 63.50 61.31 1ar1 n PRO 22 Cb 0.54 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1ar1 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ar1 n ALA 23 N 5.52 1.39 -1.54 3.55 0.00 -1.26 -4.69 120.51 123.48 1ar1 n ALA 23 Ca 0.33 0.25 0.06 0.00 0.00 0.00 0.00 53.44 54.08 1ar1 n ALA 23 Cb 0.05 -2.60 0.08 0.00 0.00 0.00 0.00 19.45 16.97 1ar1 n ALA 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ar1 n SER 24 N 6.96 1.32 -3.71 0.00 7.64 -0.05 -4.90 113.62 120.88 1ar1 n SER 24 Ca 0.21 -2.66 -0.10 0.00 1.01 0.00 0.00 58.87 57.32 1ar1 n SER 24 Cb 0.36 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1ar1 n SER 24 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ar1 s SER 25 N -2.12 -0.14 0.24 6.43 1.04 -1.25 -1.46 113.70 116.44 1ar1 s SER 25 Ca 0.20 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 1ar1 s SER 25 Cb 0.18 0.42 0.41 0.00 0.10 0.00 0.00 66.02 67.13 1ar1 s SER 25 CO 0.00 -0.76 1.77 -0.65 0.98 0.00 0.00 173.24 174.59 1ar1 h PRO 26 N 2.68 0.61 -0.89 4.02 0.11 -1.91 -2.00 132.00 134.62 1ar1 h PRO 26 Ca -0.33 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.75 1ar1 h PRO 26 Cb 1.23 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 1ar1 h PRO 26 CO 0.49 0.40 0.59 -0.07 -0.21 0.00 0.00 178.00 179.19 1ar1 h LEU 27 N 0.62 1.01 -1.12 2.35 3.38 -1.92 -0.64 115.31 118.99 1ar1 h LEU 27 Ca 0.40 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1ar1 h LEU 27 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ar1 h LEU 27 CO -0.31 0.73 0.20 0.00 0.09 0.00 0.00 178.44 179.15 1ar1 h ALA 28 N 1.33 1.30 0.21 1.53 0.00 -1.47 0.13 119.26 122.29 1ar1 h ALA 28 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ar1 h ALA 28 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ar1 h ALA 28 CO -0.08 0.51 -0.10 0.45 0.00 0.00 0.00 179.25 180.03 1ar1 h HIS 29 N 0.81 -0.27 0.24 0.00 3.86 -0.49 0.22 115.15 119.52 1ar1 h HIS 29 Ca 0.19 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1ar1 h HIS 29 Cb 0.19 0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1ar1 h HIS 29 CO 0.01 0.02 -0.33 -0.44 0.86 0.00 0.00 177.93 178.05 1ar1 h ASP 30 N -0.55 -0.93 -0.44 2.45 3.32 -1.05 -1.31 116.42 117.90 1ar1 h ASP 30 Ca -0.03 0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.20 1ar1 h ASP 30 Cb 0.41 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1ar1 h ASP 30 CO 0.05 -0.45 -0.01 -0.61 -1.72 0.00 0.00 179.24 176.50 1ar1 h GLN 31 N -0.64 0.10 0.00 3.56 -0.00 -0.72 0.15 115.11 117.57 1ar1 h GLN 31 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1ar1 h GLN 31 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.06 1ar1 h GLN 31 CO -0.12 0.07 -0.20 1.96 0.00 0.00 0.00 178.83 180.53 1ar1 h GLN 32 N 0.10 0.00 0.28 1.69 4.20 -0.37 0.28 115.11 121.30 1ar1 h GLN 32 Ca 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1ar1 h GLN 32 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ar1 h GLN 32 CO -0.37 0.20 -0.13 2.35 -0.67 0.00 0.00 178.83 180.21 1ar1 h TRP 33 N 0.00 -0.35 -0.93 2.96 7.01 0.02 -2.03 115.95 122.63 1ar1 h TRP 33 Ca -0.00 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.17 1ar1 h TRP 33 Cb 0.61 0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 27.71 1ar1 h TRP 33 CO 0.00 -0.13 0.60 1.25 -2.79 0.00 0.00 178.44 177.37 1ar1 h LEU 34 N -1.06 0.60 -0.36 0.65 5.85 -0.65 0.35 115.31 120.68 1ar1 h LEU 34 Ca -0.04 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ar1 h LEU 34 Cb 0.37 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1ar1 h LEU 34 CO 0.06 0.26 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.64 1ar1 h ASP 35 N 0.61 0.63 -0.80 1.25 3.58 -0.97 -0.89 116.42 119.84 1ar1 h ASP 35 Ca 0.49 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 1ar1 h ASP 35 Cb 0.94 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 1ar1 h ASP 35 CO -0.24 0.79 0.32 -0.74 -2.88 0.00 0.00 179.24 176.49 1ar1 h HIS 36 N 0.46 1.21 0.77 0.28 2.76 0.12 0.77 115.15 121.51 1ar1 h HIS 36 Ca 0.10 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1ar1 h HIS 36 Cb 0.46 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1ar1 h HIS 36 CO 0.04 0.91 -0.50 0.35 -1.30 0.00 0.00 177.93 177.42 1ar1 h PHE 37 N 1.16 -1.35 -0.04 5.26 3.57 -0.15 -2.35 116.94 123.04 1ar1 h PHE 37 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1ar1 h PHE 37 Cb 0.21 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1ar1 h PHE 37 CO 0.02 -0.74 0.03 0.28 -2.23 0.00 0.00 178.31 175.67 1ar1 h VAL 38 N -1.20 0.97 -0.25 1.41 2.07 -1.06 -1.46 116.25 116.74 1ar1 h VAL 38 Ca -0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ar1 h VAL 38 Cb 0.97 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1ar1 h VAL 38 CO 0.08 0.00 0.16 0.25 0.02 0.00 0.00 177.57 178.08 1ar1 h LEU 39 N 0.00 0.30 -0.54 2.57 5.85 -0.34 -1.45 115.31 121.70 1ar1 h LEU 39 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ar1 h LEU 39 Cb 0.08 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1ar1 h LEU 39 CO -0.00 0.25 0.32 1.88 -0.34 0.00 0.00 178.44 180.55 1ar1 h TYR 40 N 0.33 0.72 -0.10 1.25 -1.99 -0.80 0.15 116.97 116.53 1ar1 h TYR 40 Ca 0.09 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.84 1ar1 h TYR 40 Cb 0.00 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.46 1ar1 h TYR 40 CO -0.05 0.51 -0.09 0.82 -0.00 0.00 0.00 178.16 179.35 1ar1 h ILE 41 N 0.73 0.75 0.00 -2.88 2.04 -1.22 0.16 117.51 117.09 1ar1 h ILE 41 Ca 0.19 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.99 1ar1 h ILE 41 Cb 0.01 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1ar1 h ILE 41 CO -0.03 0.00 -0.28 0.16 0.00 0.00 0.00 178.15 178.00 1ar1 h ILE 42 N -0.10 0.66 -0.05 -0.67 -0.00 -0.95 -0.59 117.51 115.81 1ar1 h ILE 42 Ca 0.07 -1.29 -0.24 0.00 -0.00 0.00 0.00 64.86 63.40 1ar1 h ILE 42 Cb 0.20 1.85 0.01 0.00 -0.00 0.00 0.00 36.82 38.88 1ar1 h ILE 42 CO -0.16 0.27 -0.93 0.74 -0.00 0.00 0.00 178.15 178.08 1ar1 h THR 43 N 0.00 1.30 0.50 0.16 2.02 -0.09 -0.54 112.91 116.26 1ar1 h THR 43 Ca -0.00 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 64.97 1ar1 h THR 43 Cb 0.82 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1ar1 h THR 43 CO 0.04 0.68 -0.30 0.00 0.37 0.00 0.00 175.52 176.30 1ar1 h ALA 44 N 0.54 -0.76 -0.67 6.16 0.00 -0.36 0.31 119.26 124.48 1ar1 h ALA 44 Ca -0.09 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1ar1 h ALA 44 Cb 1.56 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.64 1ar1 h ALA 44 CO 0.18 -0.94 0.26 0.28 0.00 0.00 0.00 179.25 179.03 1ar1 h VAL 45 N -0.76 0.74 -0.74 0.00 2.07 -1.13 0.34 116.25 116.77 1ar1 h VAL 45 Ca -0.06 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1ar1 h VAL 45 Cb 0.62 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1ar1 h VAL 45 CO 0.07 0.08 0.26 0.74 0.02 0.00 0.00 177.57 178.74 1ar1 h THR 46 N 0.44 1.26 -0.55 2.57 2.02 -0.55 -2.03 112.91 116.06 1ar1 h THR 46 Ca 0.35 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 1ar1 h THR 46 Cb 0.46 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1ar1 h THR 46 CO -0.34 0.34 -0.02 0.40 0.37 0.00 0.00 175.52 176.27 1ar1 h ILE 47 N 1.09 1.27 0.23 3.11 1.08 0.16 -1.41 117.51 123.04 1ar1 h ILE 47 Ca 0.24 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1ar1 h ILE 47 Cb 0.26 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1ar1 h ILE 47 CO -0.01 0.41 -0.42 0.15 -0.69 0.00 0.00 178.15 177.59 1ar1 h PHE 48 N 0.87 -1.19 0.00 1.37 3.57 0.27 0.80 116.94 122.63 1ar1 h PHE 48 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1ar1 h PHE 48 Cb 0.57 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1ar1 h PHE 48 CO 0.04 -0.50 -0.05 -0.39 -2.23 0.00 0.00 178.31 175.17 1ar1 h VAL 49 N -0.69 0.88 -0.03 1.41 -1.51 -1.43 0.14 116.25 115.03 1ar1 h VAL 49 Ca -0.02 -0.19 -0.08 0.00 -1.23 0.00 0.00 66.70 65.17 1ar1 h VAL 49 Cb 0.65 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1ar1 h VAL 49 CO -0.15 0.05 -0.36 0.00 -1.23 0.00 0.00 177.57 175.87 1ar1 h LEU 51 N 0.04 -0.23 -0.80 0.00 3.38 0.16 -2.07 115.31 115.79 1ar1 h LEU 51 Ca 0.00 -0.27 0.19 0.00 0.09 0.00 0.00 57.88 57.90 1ar1 h LEU 51 Cb 0.67 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.34 1ar1 h LEU 51 CO 0.05 0.30 0.10 -0.07 0.09 0.00 0.00 178.44 178.90 1ar1 h LEU 52 N -0.92 -0.21 -0.57 1.67 3.38 -1.27 0.35 115.31 117.74 1ar1 h LEU 52 Ca -0.03 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1ar1 h LEU 52 Cb 0.49 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1ar1 h LEU 52 CO 0.05 -0.16 0.24 -0.07 0.09 0.00 0.00 178.44 178.59 1ar1 h LEU 53 N 0.15 0.77 -1.38 1.67 3.38 -1.33 -0.51 115.31 118.06 1ar1 h LEU 53 Ca 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1ar1 h LEU 53 Cb 0.86 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1ar1 h LEU 53 CO -0.66 0.71 0.07 0.25 0.09 0.00 0.00 178.44 178.90 1ar1 h LEU 54 N 0.77 0.44 0.02 1.67 5.85 0.26 -1.07 115.31 123.27 1ar1 h LEU 54 Ca 0.19 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ar1 h LEU 54 Cb 0.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ar1 h LEU 54 CO -0.02 0.46 -0.01 0.40 -0.34 0.00 0.00 178.44 178.93 1ar1 h ILE 55 N 0.48 1.25 -0.87 4.05 2.04 0.14 -1.71 117.51 122.89 1ar1 h ILE 55 Ca 0.11 -0.84 0.14 0.00 1.00 0.00 0.00 64.86 65.27 1ar1 h ILE 55 Cb 0.21 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 1ar1 h ILE 55 CO -0.00 0.22 0.56 0.00 0.00 0.00 0.00 178.15 178.93 1ar1 h ILE 57 N 0.67 1.29 0.03 0.00 2.04 -0.97 -1.58 117.51 119.00 1ar1 h ILE 57 Ca 0.43 -1.26 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 1ar1 h ILE 57 Cb 0.70 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1ar1 h ILE 57 CO -0.19 0.41 -0.70 -0.37 0.00 0.00 0.00 178.15 177.29 1ar1 h VAL 58 N 0.41 1.37 -0.00 1.67 -1.51 -0.30 -3.35 116.25 114.54 1ar1 h VAL 58 Ca 0.07 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 1ar1 h VAL 58 Cb 0.69 2.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1ar1 h VAL 58 CO 0.05 0.54 -0.44 -1.14 -1.23 0.00 0.00 177.57 175.35 1ar1 n ARG 59 N -4.40 0.19 -0.08 5.19 3.00 0.88 -4.39 116.66 117.05 1ar1 n ARG 59 Ca -0.20 -0.11 0.05 0.00 -0.00 0.00 0.00 57.85 57.59 1ar1 n ARG 59 Cb 0.64 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.67 1ar1 n ARG 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ar1 n PHE 60 N -1.31 0.00 -1.90 -0.14 3.72 -0.60 -4.24 117.46 113.00 1ar1 n PHE 60 Ca 0.07 -0.68 -0.33 0.00 -0.05 0.00 0.00 57.45 56.47 1ar1 n PHE 60 Cb 0.34 -0.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 1ar1 n PHE 60 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ar1 s ASN 61 N -1.87 5.51 0.33 4.37 4.22 -1.22 -4.67 114.94 121.61 1ar1 s ASN 61 Ca 0.16 1.86 0.09 0.00 -2.14 0.00 0.00 52.86 52.83 1ar1 s ASN 61 Cb 0.14 -2.54 0.82 0.00 1.28 0.00 0.00 41.25 40.96 1ar1 s ASN 61 CO 0.01 -1.35 1.79 -0.09 -2.04 0.00 0.00 177.10 175.42 1ar1 h ARG 62 N 0.19 0.66 -0.28 3.55 2.43 -1.96 0.22 114.38 119.19 1ar1 h ARG 62 Ca -0.47 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.58 1ar1 h ARG 62 Cb 1.23 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1ar1 h ARG 62 CO 0.56 0.44 -0.18 -0.09 -1.51 0.00 0.00 179.97 179.18 1ar1 h ARG 63 N 0.68 0.51 0.09 0.20 9.65 -1.98 -2.93 114.38 120.61 1ar1 h ARG 63 Ca 0.56 -0.17 -0.26 0.00 -1.10 0.00 0.00 59.98 59.01 1ar1 h ARG 63 Cb 0.98 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 1ar1 h ARG 63 CO -0.33 0.68 -1.33 0.00 2.80 0.00 0.00 179.97 181.79 1ar1 h ALA 64 N 1.34 0.19 -3.44 2.80 0.00 -1.45 -3.42 119.26 115.28 1ar1 h ALA 64 Ca 0.08 -1.08 -0.66 0.00 0.00 0.00 0.00 54.91 53.25 1ar1 h ALA 64 Cb 0.59 0.49 -0.39 0.00 0.00 0.00 0.00 17.79 18.47 1ar1 h ALA 64 CO 0.04 0.78 -0.62 1.21 0.00 0.00 0.00 179.25 180.65 1ar1 s ASN 65 N -6.96 4.66 0.31 0.00 2.47 0.61 -4.96 114.94 111.07 1ar1 s ASN 65 Ca -0.21 -2.62 0.26 0.00 0.42 0.00 0.00 52.86 50.71 1ar1 s ASN 65 Cb 0.04 -1.68 0.79 0.00 -1.45 0.00 0.00 41.25 38.96 1ar1 s ASN 65 CO 0.74 -0.33 1.75 -0.65 -3.72 0.00 0.00 177.10 174.89 1ar1 h PRO 66 N 7.07 0.00 -4.10 0.43 0.11 -1.74 -3.37 132.00 130.40 1ar1 h PRO 66 Ca -0.06 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.42 1ar1 h PRO 66 Cb 0.96 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.67 1ar1 h PRO 66 CO 0.64 0.00 -0.73 0.08 -0.21 0.00 0.00 178.00 177.77 1ar1 s VAL 67 N -3.23 1.66 0.35 3.15 1.01 -1.26 -5.08 120.40 117.01 1ar1 s VAL 67 Ca 0.08 -1.99 -0.28 0.00 0.00 0.00 0.00 61.98 59.78 1ar1 s VAL 67 Cb 0.10 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 34.12 1ar1 s VAL 67 CO 0.57 -0.65 1.40 -0.81 0.00 0.00 0.00 175.10 175.61 1ar1 n PRO 68 N 4.43 2.40 -0.93 2.72 -0.04 -1.26 -4.99 135.00 137.33 1ar1 n PRO 68 Ca 0.02 0.84 -0.22 0.00 -0.04 0.00 0.00 63.50 64.10 1ar1 n PRO 68 Cb 0.41 -2.51 0.18 0.00 -0.04 0.00 0.00 33.50 31.55 1ar1 n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ar1 n ALA 69 N 0.61 -2.24 -1.25 0.55 0.00 -1.26 -5.02 120.51 111.90 1ar1 n ALA 69 Ca 0.04 -1.24 0.03 0.00 0.00 0.00 0.00 53.44 52.27 1ar1 n ALA 69 Cb 0.37 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.78 1ar1 n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ar1 n ARG 70 N -3.79 0.78 -2.06 0.00 3.00 -1.26 -5.08 116.66 108.25 1ar1 n ARG 70 Ca 0.12 -1.39 -0.39 0.00 -0.01 0.00 0.00 57.85 56.17 1ar1 n ARG 70 Cb 0.44 -0.84 -0.00 0.00 0.00 0.00 0.00 32.46 32.05 1ar1 n ARG 70 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1ar1 s PHE 71 N -0.92 2.79 -0.03 -1.55 -0.71 -1.26 -4.95 117.98 111.36 1ar1 s PHE 71 Ca 0.09 1.42 0.04 0.00 -1.04 0.00 0.00 56.93 57.44 1ar1 s PHE 71 Cb 0.08 -3.65 0.07 0.00 -1.21 0.00 0.00 43.02 38.30 1ar1 s PHE 71 CO 0.01 -2.08 0.90 0.25 -1.34 0.00 0.00 175.22 172.95 1ar1 n THR 72 N 0.01 0.70 0.00 -4.49 -2.24 -1.26 -5.09 114.28 101.91 1ar1 n THR 72 Ca 0.04 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1ar1 n THR 72 Cb 0.44 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ar1 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ar1 n HIS 73 N -0.46 0.00 -2.69 4.78 1.44 -1.26 -5.07 115.22 111.95 1ar1 n HIS 73 Ca 0.04 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.69 1ar1 n HIS 73 Cb 0.51 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.74 1ar1 n HIS 73 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1ar1 n ASN 74 N 0.00 -1.71 0.00 4.39 5.15 -1.26 -5.06 115.26 116.77 1ar1 n ASN 74 Ca 0.00 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 1ar1 n ASN 74 Cb 0.00 0.90 0.00 0.00 -0.53 0.00 0.00 39.78 40.15 1ar1 n ASN 74 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1ar1 n THR 75 N -0.81 0.00 0.05 -0.44 -2.24 -1.26 0.42 114.28 110.00 1ar1 n THR 75 Ca -0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1ar1 n THR 75 Cb 0.86 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.68 1ar1 n THR 75 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ar1 h PRO 76 N 0.00 0.16 -0.27 -0.78 0.13 -1.99 0.16 132.00 129.41 1ar1 h PRO 76 Ca 0.00 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 1ar1 h PRO 76 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1ar1 h PRO 76 CO 0.00 0.11 -0.51 0.97 -0.23 0.00 0.00 178.00 178.34 1ar1 h ILE 77 N 0.17 1.28 -0.80 -3.56 6.09 -0.46 0.11 117.51 120.35 1ar1 h ILE 77 Ca 0.18 -1.70 0.13 0.00 -1.37 0.00 0.00 64.86 62.10 1ar1 h ILE 77 Cb 0.50 1.67 -0.09 0.00 0.47 0.00 0.00 36.82 39.38 1ar1 h ILE 77 CO -0.03 0.55 0.39 -0.08 -3.07 0.00 0.00 178.15 175.92 1ar1 h GLU 78 N 0.60 0.58 -0.18 2.19 4.57 -1.06 0.72 114.58 122.00 1ar1 h GLU 78 Ca 0.01 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1ar1 h GLU 78 Cb 1.12 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1ar1 h GLU 78 CO 0.11 0.38 -0.45 0.28 -1.18 0.00 0.00 179.01 178.16 1ar1 h VAL 79 N 0.60 1.33 0.61 0.32 2.07 -0.54 -2.92 116.25 117.72 1ar1 h VAL 79 Ca 0.42 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1ar1 h VAL 79 Cb 0.55 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1ar1 h VAL 79 CO -0.34 0.52 -0.33 0.40 0.02 0.00 0.00 177.57 177.85 1ar1 h ILE 80 N 0.29 0.33 0.00 4.57 1.08 0.87 0.09 117.51 124.74 1ar1 h ILE 80 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1ar1 h ILE 80 Cb 1.06 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1ar1 h ILE 80 CO 0.10 0.00 0.00 -2.67 -0.69 0.00 0.00 178.15 174.89 1ar1 n TRP 81 N -5.47 0.00 0.00 1.37 2.14 0.23 -2.37 117.44 113.34 1ar1 n TRP 81 Ca -0.13 -0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.33 1ar1 n TRP 81 Cb 0.36 -0.11 0.00 0.00 -0.81 0.00 0.00 31.31 30.75 1ar1 n TRP 81 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1ar1 n THR 82 N 0.28 0.00 -0.07 -1.67 -1.04 -0.68 -4.71 114.28 106.39 1ar1 n THR 82 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1ar1 n THR 82 Cb 0.24 -0.43 -0.06 0.00 -1.82 0.00 0.00 70.33 68.26 1ar1 n THR 82 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ar1 h LEU 83 N 0.00 0.81 0.14 -4.42 3.38 -0.65 -3.14 115.31 111.43 1ar1 h LEU 83 Ca 0.00 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1ar1 h LEU 83 Cb 0.83 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1ar1 h LEU 83 CO 0.00 1.21 -0.48 0.58 0.09 0.00 0.00 178.44 179.84 1ar1 h VAL 84 N 0.45 0.07 -0.49 1.22 2.07 -1.72 0.11 116.25 117.95 1ar1 h VAL 84 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1ar1 h VAL 84 Cb 1.08 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1ar1 h VAL 84 CO 0.10 0.00 0.03 -0.65 0.02 0.00 0.00 177.57 177.07 1ar1 h PRO 85 N -0.73 0.14 -0.46 1.57 0.11 -1.84 0.24 132.00 131.02 1ar1 h PRO 85 Ca 0.00 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1ar1 h PRO 85 Cb 0.74 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.73 1ar1 h PRO 85 CO -0.26 0.09 -0.14 0.28 -0.21 0.00 0.00 178.00 177.76 1ar1 h VAL 86 N 0.14 0.48 0.33 3.15 2.07 -1.35 0.18 116.25 121.26 1ar1 h VAL 86 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1ar1 h VAL 86 Cb 0.36 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ar1 h VAL 86 CO -0.39 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 176.88 1ar1 h LEU 87 N -0.04 -0.67 -0.60 2.57 3.38 0.26 0.20 115.31 120.43 1ar1 h LEU 87 Ca 0.22 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.37 1ar1 h LEU 87 Cb 0.38 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1ar1 h LEU 87 CO -0.50 -0.39 0.01 0.40 0.09 0.00 0.00 178.44 178.06 1ar1 h ILE 88 N -0.59 0.52 -0.17 1.22 2.04 0.22 0.87 117.51 121.62 1ar1 h ILE 88 Ca -0.03 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1ar1 h ILE 88 Cb 0.51 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1ar1 h ILE 88 CO -0.01 0.02 -0.25 -0.07 0.00 0.00 0.00 178.15 177.84 1ar1 h LEU 89 N 0.13 0.30 -0.68 1.44 3.38 -0.30 0.36 115.31 119.94 1ar1 h LEU 89 Ca 0.31 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1ar1 h LEU 89 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ar1 h LEU 89 CO -0.50 0.56 -0.44 0.58 0.09 0.00 0.00 178.44 178.73 1ar1 h VAL 90 N 0.28 1.31 0.32 1.22 2.07 0.26 0.74 116.25 122.45 1ar1 h VAL 90 Ca 0.04 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1ar1 h VAL 90 Cb 0.60 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1ar1 h VAL 90 CO 0.04 0.51 -0.15 0.00 0.02 0.00 0.00 177.57 177.99 1ar1 h ALA 91 N 1.12 -0.43 0.11 1.67 0.00 0.15 -0.97 119.26 120.91 1ar1 h ALA 91 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ar1 h ALA 91 Cb 0.94 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ar1 h ALA 91 CO 0.08 -0.63 -0.18 0.82 0.00 0.00 0.00 179.25 179.35 1ar1 h ILE 92 N -0.65 0.60 -0.70 0.00 2.04 -0.92 -1.70 117.51 116.17 1ar1 h ILE 92 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1ar1 h ILE 92 Cb 0.46 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1ar1 h ILE 92 CO 0.07 0.00 0.48 1.23 0.00 0.00 0.00 178.15 179.94 1ar1 h GLY 93 N -0.35 0.37 2.00 5.37 0.00 -0.79 -0.24 103.07 109.43 1ar1 h GLY 93 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1ar1 h GLY 93 CO -0.09 0.02 -0.16 0.00 0.00 0.00 0.00 176.54 176.31 1ar1 h ALA 94 N 1.66 1.63 0.00 3.60 0.00 -0.20 -2.31 119.26 123.64 1ar1 h ALA 94 Ca 0.34 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.72 1ar1 h ALA 94 Cb 1.04 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1ar1 h ALA 94 CO -0.07 0.20 -2.46 1.19 0.00 0.00 0.00 179.25 178.12 1ar1 n PHE 95 N -4.20 0.00 -0.01 0.00 3.72 -0.22 -4.48 117.46 112.27 1ar1 n PHE 95 Ca -0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1ar1 n PHE 95 Cb 0.24 -0.98 0.28 0.00 -0.94 0.00 0.00 39.48 38.08 1ar1 n PHE 95 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ar1 h SER 96 N -0.06 0.51 0.63 4.37 4.64 -1.28 -3.20 113.55 119.15 1ar1 h SER 96 Ca -0.58 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 60.62 1ar1 h SER 96 Cb 1.87 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.81 1ar1 h SER 96 CO -0.11 0.58 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.88 1ar1 h LEU 97 N 0.52 -1.29 -2.05 5.97 3.38 -1.64 -0.87 115.31 119.34 1ar1 h LEU 97 Ca 0.11 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1ar1 h LEU 97 Cb 0.34 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ar1 h LEU 97 CO 0.01 -0.69 -0.03 1.55 0.09 0.00 0.00 178.44 179.37 1ar1 h PRO 98 N -1.08 0.00 -0.22 1.13 0.13 -1.78 -1.78 132.00 128.40 1ar1 h PRO 98 Ca -0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 1ar1 h PRO 98 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1ar1 h PRO 98 CO 0.01 0.03 -0.45 0.82 -0.23 0.00 0.00 178.00 178.19 1ar1 h ILE 99 N 0.00 1.31 -0.41 -3.56 2.04 -1.48 -2.09 117.51 113.32 1ar1 h ILE 99 Ca -0.00 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1ar1 h ILE 99 Cb 0.06 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1ar1 h ILE 99 CO 0.00 0.51 0.11 0.25 0.00 0.00 0.00 178.15 179.02 1ar1 h LEU 100 N 0.44 0.62 -0.36 1.44 5.85 -0.28 -2.31 115.31 120.70 1ar1 h LEU 100 Ca 0.03 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1ar1 h LEU 100 Cb 0.95 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1ar1 h LEU 100 CO 0.08 0.68 0.03 -0.26 -0.34 0.00 0.00 178.44 178.63 1ar1 h PHE 101 N 0.52 0.67 -0.99 1.25 -1.00 -1.44 0.71 116.94 116.66 1ar1 h PHE 101 Ca 0.13 -0.10 0.06 0.00 2.81 0.00 0.00 57.97 60.86 1ar1 h PHE 101 Cb 0.30 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.62 1ar1 h PHE 101 CO 0.02 0.70 0.64 -0.09 -1.61 0.00 0.00 178.31 177.97 1ar1 h ARG 102 N 0.44 1.15 0.21 1.51 2.43 -1.34 -1.30 114.38 117.49 1ar1 h ARG 102 Ca 0.11 -0.07 -0.33 0.00 -0.81 0.00 0.00 59.98 58.87 1ar1 h ARG 102 Cb 0.41 -0.26 0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1ar1 h ARG 102 CO 0.01 0.76 -1.54 0.66 -1.51 0.00 0.00 179.97 178.36 1ar1 h SER 103 N 1.19 0.69 -0.52 -3.80 4.64 -1.24 -3.34 113.55 111.17 1ar1 h SER 103 Ca 0.42 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ar1 h SER 103 Cb 0.12 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1ar1 h SER 103 CO -0.16 1.67 0.00 1.67 -0.87 0.00 0.00 176.83 179.14 1ar1 n GLN 104 N -3.63 2.21 -3.61 4.77 -0.06 0.23 -4.72 117.38 112.56 1ar1 n GLN 104 Ca -0.18 -1.87 -0.40 0.00 -2.00 0.00 0.00 57.00 52.55 1ar1 n GLN 104 Cb 1.08 -1.41 -0.10 0.00 -4.06 0.00 0.00 30.24 25.75 1ar1 n GLN 104 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1ar1 s GLU 105 N -1.31 2.60 0.39 3.69 2.12 -0.50 -5.01 118.70 120.68 1ar1 s GLU 105 Ca 0.35 -1.44 -0.26 0.00 0.36 0.00 0.00 54.97 53.97 1ar1 s GLU 105 Cb 0.18 -3.77 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 1ar1 s GLU 105 CO 0.23 -0.94 1.26 -1.64 -0.54 0.00 0.00 175.26 173.64 1ar1 s MET 106 N 1.42 4.08 0.51 4.30 -1.94 -1.26 -4.94 119.30 121.47 1ar1 s MET 106 Ca 0.03 2.08 -0.21 0.00 -1.71 0.00 0.00 55.69 55.88 1ar1 s MET 106 Cb -0.23 -2.81 -0.07 0.00 2.01 0.00 0.00 34.83 33.74 1ar1 s MET 106 CO 0.02 -0.37 1.13 -1.25 -0.01 0.00 0.00 175.02 174.54 1ar1 s PRO 107 N -2.14 3.54 0.37 2.03 0.04 -1.26 -4.95 135.00 132.62 1ar1 s PRO 107 Ca 0.55 1.64 0.22 0.00 0.04 0.00 0.00 61.00 63.45 1ar1 s PRO 107 Cb -0.36 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.26 1ar1 s PRO 107 CO 0.47 -0.70 1.45 -0.91 0.04 0.00 0.00 177.00 177.35 1ar1 h ASN 108 N 1.52 0.00 -2.08 6.66 2.35 -2.03 -3.39 115.58 118.61 1ar1 h ASN 108 Ca -0.50 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.68 1ar1 h ASN 108 Cb 1.25 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.22 1ar1 h ASN 108 CO 0.58 0.05 -0.89 -0.90 -1.65 0.00 0.00 177.43 174.62 1ar1 n ASP 109 N -3.01 1.68 -4.77 5.81 5.75 -1.26 -5.11 116.55 115.65 1ar1 n ASP 109 Ca 0.03 -3.01 -0.41 0.00 -0.01 0.00 0.00 54.79 51.39 1ar1 n ASP 109 Cb 0.55 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 1ar1 n ASP 109 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ar1 s PRO 110 N -1.73 4.39 0.34 0.11 0.04 -1.26 -4.91 135.00 131.97 1ar1 s PRO 110 Ca 0.37 2.16 0.15 0.00 0.04 0.00 0.00 61.00 63.73 1ar1 s PRO 110 Cb 0.16 -3.09 0.58 0.00 0.04 0.00 0.00 34.50 32.19 1ar1 s PRO 110 CO -0.07 -0.15 1.71 -0.44 0.04 0.00 0.00 177.00 178.09 1ar1 h ASP 111 N 3.55 0.00 -3.06 6.66 3.32 -1.29 -3.43 116.42 122.17 1ar1 h ASP 111 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 1ar1 h ASP 111 Cb 1.22 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.48 1ar1 h ASP 111 CO 0.66 0.46 -0.45 -0.22 -1.72 0.00 0.00 179.24 177.97 1ar1 s LEU 112 N -7.40 -0.05 -0.22 1.55 2.96 -1.11 -5.01 118.68 109.42 1ar1 s LEU 112 Ca -0.01 0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1ar1 s LEU 112 Cb 0.12 0.92 -0.01 0.00 0.50 0.00 0.00 46.19 47.71 1ar1 s LEU 112 CO 0.72 -0.20 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.83 1ar1 s VAL 113 N 1.83 3.55 0.21 1.68 1.01 -1.26 -0.81 120.40 126.61 1ar1 s VAL 113 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1ar1 s VAL 113 Cb -0.11 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1ar1 s VAL 113 CO -0.10 0.42 -0.13 0.27 0.00 0.00 0.00 175.10 175.56 1ar1 s ILE 114 N 1.36 1.70 -0.12 2.22 -4.36 -0.45 -4.19 121.20 117.36 1ar1 s ILE 114 Ca 0.04 -2.20 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1ar1 s ILE 114 Cb -0.14 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.50 1ar1 s ILE 114 CO -0.01 -0.57 -0.20 -0.75 0.24 0.00 0.00 174.94 173.65 1ar1 s LYS 115 N -3.66 2.73 -0.16 0.37 2.20 0.55 -0.78 119.74 120.99 1ar1 s LYS 115 Ca 0.23 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1ar1 s LYS 115 Cb -0.00 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 34.09 1ar1 s LYS 115 CO 0.07 0.03 0.03 0.00 -0.36 0.00 0.00 175.35 175.12 1ar1 s ALA 116 N 0.73 3.31 -0.18 3.13 0.00 0.25 -1.09 121.76 127.91 1ar1 s ALA 116 Ca -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1ar1 s ALA 116 Cb -0.16 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1ar1 s ALA 116 CO 0.01 0.25 -0.14 0.42 0.00 0.00 0.00 175.76 176.30 1ar1 s ILE 117 N 0.17 1.78 -0.02 0.00 1.09 0.16 -2.06 121.20 122.31 1ar1 s ILE 117 Ca 0.03 -0.92 -0.27 0.00 -1.10 0.00 0.00 60.65 58.38 1ar1 s ILE 117 Cb -0.13 -1.73 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 1ar1 s ILE 117 CO 0.01 0.35 0.87 -0.83 -0.10 0.00 0.00 174.94 175.24 1ar1 s GLY 118 N 1.37 2.80 0.11 6.18 0.00 0.71 -0.80 107.32 117.69 1ar1 s GLY 118 Ca 0.02 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.19 1ar1 s GLY 118 CO -0.10 1.48 -0.17 0.30 0.00 0.00 0.00 173.10 174.61 1ar1 s HIS 119 N 0.89 1.53 -0.73 1.90 3.76 -0.18 -2.00 115.29 120.46 1ar1 s HIS 119 Ca 0.46 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.72 1ar1 s HIS 119 Cb -0.20 -0.81 -0.17 0.00 1.11 0.00 0.00 32.58 32.50 1ar1 s HIS 119 CO 0.24 0.17 1.91 0.94 -0.85 0.00 0.00 174.74 177.15 1ar1 n GLN 120 N 0.81 0.16 -1.42 1.40 -0.06 -1.26 -1.28 117.38 115.74 1ar1 n GLN 120 Ca -0.17 -0.76 0.00 0.00 -2.00 0.00 0.00 57.00 54.06 1ar1 n GLN 120 Cb 0.55 -2.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.13 1ar1 n GLN 120 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 1ar1 n TRP 121 N 13.18 0.00 -3.65 3.69 8.01 -1.26 -5.08 117.44 132.33 1ar1 n TRP 121 Ca 0.37 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.54 1ar1 n TRP 121 Cb 0.41 -0.63 -0.02 0.00 -2.01 0.00 0.00 31.31 29.05 1ar1 n TRP 121 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1ar1 s TYR 122 N -2.31 -0.00 0.10 -5.99 -0.85 -0.40 -4.68 117.35 103.22 1ar1 s TYR 122 Ca 0.00 0.00 0.06 0.00 -0.52 0.00 0.00 57.07 56.61 1ar1 s TYR 122 Cb 0.00 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1ar1 s TYR 122 CO 0.00 -0.00 -0.04 -1.58 -1.52 0.00 0.00 175.55 172.41 1ar1 s TRP 123 N -1.99 2.88 -0.08 -3.49 0.52 -0.79 -1.01 118.94 114.99 1ar1 s TRP 123 Ca 0.12 -0.08 -0.01 0.00 0.02 0.00 0.00 56.10 56.15 1ar1 s TRP 123 Cb -0.01 -1.49 0.03 0.00 -1.15 0.00 0.00 33.47 30.85 1ar1 s TRP 123 CO -0.02 0.46 -0.02 0.45 0.02 0.00 0.00 176.95 177.84 1ar1 s SER 124 N -2.31 1.61 0.26 2.95 0.15 0.02 -0.22 113.70 116.15 1ar1 s SER 124 Ca 0.24 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.83 1ar1 s SER 124 Cb -0.11 -0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1ar1 s SER 124 CO 0.17 -0.15 0.10 -0.31 1.20 0.00 0.00 173.24 174.24 1ar1 s TYR 125 N 1.73 2.91 -0.11 3.44 2.02 -0.52 0.36 117.35 127.17 1ar1 s TYR 125 Ca 0.02 -0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1ar1 s TYR 125 Cb -0.13 -1.30 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1ar1 s TYR 125 CO -0.05 0.57 0.27 -1.21 -1.57 0.00 0.00 175.55 173.56 1ar1 s GLU 126 N -3.76 0.26 -1.04 -0.62 2.02 -0.25 -2.07 118.70 113.23 1ar1 s GLU 126 Ca 0.32 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.74 1ar1 s GLU 126 Cb -0.07 -0.01 0.26 0.00 0.10 0.00 0.00 34.13 34.41 1ar1 s GLU 126 CO 0.22 -0.12 1.03 0.66 0.02 0.00 0.00 175.26 177.07 1ar1 n TYR 127 N 3.76 4.80 -0.22 1.61 4.02 -0.35 -0.33 117.16 130.45 1ar1 n TYR 127 Ca -0.21 -3.93 -0.06 0.00 -0.01 0.00 0.00 57.90 53.70 1ar1 n TYR 127 Cb 0.55 -1.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.33 1ar1 n TYR 127 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ar1 n PRO 128 N 2.47 -0.23 0.00 -0.72 -0.02 -1.26 0.37 135.00 135.61 1ar1 n PRO 128 Ca 0.23 0.87 0.13 0.00 -2.02 0.00 0.00 63.50 62.72 1ar1 n PRO 128 Cb 0.38 -1.29 0.76 0.00 -0.02 0.00 0.00 33.50 33.33 1ar1 n PRO 128 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ar1 n ASN 129 N -4.42 0.00 0.00 2.55 3.02 -1.26 -3.51 115.26 111.64 1ar1 n ASN 129 Ca 0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1ar1 n ASN 129 Cb 0.13 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1ar1 n ASN 129 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ar1 n ASP 130 N -1.08 1.83 -3.86 6.41 8.00 0.16 -5.03 116.55 122.98 1ar1 n ASP 130 Ca 0.18 -1.85 -0.25 0.00 0.71 0.00 0.00 54.79 53.58 1ar1 n ASP 130 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1ar1 n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ar1 n GLY 131 N -0.43 -0.28 3.18 0.44 0.00 -0.91 -4.84 105.19 102.36 1ar1 n GLY 131 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1ar1 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ar1 s VAL 132 N -3.76 1.19 -0.28 1.61 1.01 -1.23 -2.07 120.40 116.87 1ar1 s VAL 132 Ca 0.09 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1ar1 s VAL 132 Cb -0.05 -1.12 0.12 0.00 0.00 0.00 0.00 36.38 35.33 1ar1 s VAL 132 CO 0.85 -0.14 0.96 0.00 0.00 0.00 0.00 175.10 176.77 1ar1 s ALA 133 N -1.15 -2.01 0.26 5.51 0.00 -0.73 -1.21 121.76 122.42 1ar1 s ALA 133 Ca -0.00 2.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.76 1ar1 s ALA 133 Cb -0.09 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.58 1ar1 s ALA 133 CO 0.02 -0.28 0.71 -0.59 0.00 0.00 0.00 175.76 175.62 1ar1 s PHE 134 N 0.60 -0.24 -0.02 0.00 -0.71 -0.88 -4.63 117.98 112.11 1ar1 s PHE 134 Ca -0.01 -0.18 0.05 0.00 -1.04 0.00 0.00 56.93 55.76 1ar1 s PHE 134 Cb -0.05 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.42 1ar1 s PHE 134 CO -0.08 -1.16 -0.17 -0.51 -1.34 0.00 0.00 175.22 171.95 1ar1 s ASP 135 N -2.89 3.81 -0.25 1.98 1.01 -1.26 -1.44 116.67 117.63 1ar1 s ASP 135 Ca 0.10 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 1ar1 s ASP 135 Cb -0.05 -0.70 0.03 0.00 1.01 0.00 0.00 42.92 43.20 1ar1 s ASP 135 CO 0.04 0.32 -0.07 0.00 0.21 0.00 0.00 175.17 175.67 1ar1 s ALA 136 N -0.77 2.68 0.08 5.23 0.00 0.69 -4.54 121.76 125.14 1ar1 s ALA 136 Ca 0.12 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 50.70 1ar1 s ALA 136 Cb -0.10 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1ar1 s ALA 136 CO 0.02 -0.82 -0.23 -0.51 0.00 0.00 0.00 175.76 174.22 1ar1 s LEU 137 N 1.31 2.42 0.31 0.00 1.43 -1.26 -1.88 118.68 121.01 1ar1 s LEU 137 Ca -0.00 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 1ar1 s LEU 137 Cb -0.17 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.56 1ar1 s LEU 137 CO -0.05 0.22 1.57 0.80 0.23 0.00 0.00 176.35 179.12 1ar1 n MET 138 N 1.31 2.69 -2.95 1.70 0.00 -1.26 -0.46 117.12 118.14 1ar1 n MET 138 Ca -0.17 0.95 -0.38 0.00 -0.00 0.00 0.00 57.70 58.10 1ar1 n MET 138 Cb 0.52 -2.72 -0.06 0.00 0.00 0.00 0.00 33.22 30.96 1ar1 n MET 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ar1 s LEU 139 N -0.83 4.50 0.70 -0.89 1.43 -0.75 -4.76 118.68 118.08 1ar1 s LEU 139 Ca 0.62 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1ar1 s LEU 139 Cb -0.49 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1ar1 s LEU 139 CO 0.52 0.12 1.08 -1.61 0.23 0.00 0.00 176.35 176.69 1ar1 s GLU 140 N -1.48 2.89 0.27 1.70 8.01 -1.26 -4.90 118.70 123.93 1ar1 s GLU 140 Ca 0.40 0.62 -0.07 0.00 0.01 0.00 0.00 54.97 55.94 1ar1 s GLU 140 Cb -0.21 -2.01 0.49 0.00 -4.31 0.00 0.00 34.13 28.08 1ar1 s GLU 140 CO 0.25 -1.05 1.58 0.87 0.01 0.00 0.00 175.26 176.93 1ar1 h LYS 141 N -0.67 0.02 -0.27 1.61 1.57 -1.97 -1.66 116.57 115.20 1ar1 h LYS 141 Ca -0.45 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.18 1ar1 h LYS 141 Cb 1.24 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1ar1 h LYS 141 CO 0.62 0.01 -0.45 1.05 -0.57 0.00 0.00 179.45 180.11 1ar1 h GLU 142 N 0.02 0.69 0.00 3.15 9.09 -2.03 -3.14 114.58 122.35 1ar1 h GLU 142 Ca 0.47 -0.38 0.00 0.00 0.05 0.00 0.00 59.36 59.50 1ar1 h GLU 142 Cb 0.80 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 1ar1 h GLU 142 CO -0.90 1.00 0.00 0.00 0.05 0.00 0.00 179.01 179.16 1ar1 n ALA 143 N -2.52 2.15 0.22 1.06 0.00 -0.64 -4.25 120.51 116.53 1ar1 n ALA 143 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1ar1 n ALA 143 Cb 0.56 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1ar1 n ALA 143 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ar1 h LEU 144 N 0.00 -0.49 -0.56 0.00 3.38 -1.48 -3.13 115.31 113.02 1ar1 h LEU 144 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1ar1 h LEU 144 Cb 0.13 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.90 1ar1 h LEU 144 CO 0.00 -0.29 -0.23 0.00 0.09 0.00 0.00 178.44 178.01 1ar1 h ALA 145 N -1.62 0.20 0.00 1.53 0.00 -1.73 -0.08 119.26 117.55 1ar1 h ALA 145 Ca -0.06 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ar1 h ALA 145 Cb 0.44 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ar1 h ALA 145 CO 0.10 -0.54 -0.02 -0.44 0.00 0.00 0.00 179.25 178.34 1ar1 h ASP 146 N -0.09 0.00 0.47 0.00 3.32 -1.82 0.62 116.42 118.92 1ar1 h ASP 146 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1ar1 h ASP 146 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ar1 h ASP 146 CO -0.62 0.02 -0.27 0.00 -1.72 0.00 0.00 179.24 176.66 1ar1 n ALA 147 N -2.21 3.05 -0.07 3.45 0.00 -0.09 -4.93 120.51 119.72 1ar1 n ALA 147 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1ar1 n ALA 147 Cb 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1ar1 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ar1 n GLY 148 N 1.40 0.96 3.75 0.00 0.00 0.21 -4.61 105.19 106.91 1ar1 n GLY 148 Ca 0.10 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1ar1 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ar1 s TYR 149 N -2.00 3.16 0.68 1.61 2.02 -0.94 -5.00 117.35 116.88 1ar1 s TYR 149 Ca 0.00 0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 1ar1 s TYR 149 Cb 0.00 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1ar1 s TYR 149 CO 0.00 0.51 1.06 -1.54 -1.57 0.00 0.00 175.55 174.02 1ar1 s SER 150 N -2.17 5.66 0.28 2.29 1.04 -1.26 -3.53 113.70 116.00 1ar1 s SER 150 Ca 0.27 1.33 -0.03 0.00 0.48 0.00 0.00 55.95 58.00 1ar1 s SER 150 Cb -0.12 -2.24 0.37 0.00 0.10 0.00 0.00 66.02 64.13 1ar1 s SER 150 CO 0.19 -1.23 1.94 -0.08 0.98 0.00 0.00 173.24 175.04 1ar1 h GLU 151 N -0.57 1.18 0.00 4.02 4.81 -1.96 -1.90 114.58 120.16 1ar1 h GLU 151 Ca -0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1ar1 h GLU 151 Cb 1.22 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1ar1 h GLU 151 CO 0.62 0.78 0.00 -0.40 -0.73 0.00 0.00 179.01 179.28 1ar1 n ASP 152 N -4.42 0.00 -1.18 1.04 5.68 -1.26 -1.97 116.55 114.44 1ar1 n ASP 152 Ca 0.12 0.07 0.07 0.00 -0.50 0.00 0.00 54.79 54.55 1ar1 n ASP 152 Cb 0.06 -0.29 0.25 0.00 -1.14 0.00 0.00 41.12 40.00 1ar1 n ASP 152 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ar1 n GLU 153 N -1.29 2.89 0.00 0.11 1.02 -0.71 -4.73 120.64 117.92 1ar1 n GLU 153 Ca 0.07 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 1ar1 n GLU 153 Cb 0.12 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1ar1 n GLU 153 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1ar1 n TYR 154 N 0.72 0.00 0.46 -0.32 9.36 -0.83 -1.30 117.16 125.25 1ar1 n TYR 154 Ca 0.18 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.42 1ar1 n TYR 154 Cb 0.65 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.47 1ar1 n TYR 154 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ar1 n LEU 155 N -0.62 0.00 -0.09 2.98 4.77 -1.26 -2.55 117.00 120.22 1ar1 n LEU 155 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1ar1 n LEU 155 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1ar1 n LEU 155 CO 0.00 0.00 -1.12 0.18 -1.33 0.00 0.00 177.39 175.12 1ar1 n LEU 156 N -0.75 2.03 -4.72 2.23 4.77 -0.88 -4.42 117.00 115.26 1ar1 n LEU 156 Ca 0.03 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1ar1 n LEU 156 Cb 0.01 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1ar1 n LEU 156 CO 0.02 0.70 0.88 0.00 -1.33 0.00 0.00 177.39 177.66 1ar1 s ALA 157 N -2.40 3.41 0.30 -1.18 0.00 -0.42 -3.93 121.76 117.54 1ar1 s ALA 157 Ca -0.21 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1ar1 s ALA 157 Cb 0.06 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ar1 s ALA 157 CO 0.53 -0.39 0.18 0.95 0.00 0.00 0.00 175.76 177.03 1ar1 s THR 158 N 0.56 3.62 0.11 0.00 -4.23 -1.26 -1.81 115.64 112.61 1ar1 s THR 158 Ca 0.56 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 59.31 1ar1 s THR 158 Cb -0.31 -3.13 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 1ar1 s THR 158 CO 0.32 -0.25 1.74 -2.24 -0.54 0.00 0.00 174.62 173.65 1ar1 h ASP 159 N 1.49 0.18 -3.48 3.99 2.03 -1.07 -3.43 116.42 116.13 1ar1 h ASP 159 Ca -0.45 -0.03 -0.66 0.00 -0.73 0.00 0.00 57.03 55.15 1ar1 h ASP 159 Cb 1.25 -0.04 -0.23 0.00 -0.83 0.00 0.00 39.33 39.47 1ar1 h ASP 159 CO 0.61 0.16 -0.72 0.20 -1.03 0.00 0.00 179.24 178.45 1ar1 s ASN 160 N -5.37 4.38 0.04 4.15 0.02 -1.26 -5.03 114.94 111.88 1ar1 s ASN 160 Ca -0.13 -0.19 -0.08 0.00 -1.02 0.00 0.00 52.86 51.44 1ar1 s ASN 160 Cb 0.08 -1.47 -0.05 0.00 0.02 0.00 0.00 41.25 39.82 1ar1 s ASN 160 CO 0.69 0.23 0.33 -2.16 0.02 0.00 0.00 177.10 176.21 1ar1 s PRO 161 N -0.03 3.68 -0.10 -0.60 0.04 -1.26 -4.71 135.00 132.01 1ar1 s PRO 161 Ca -0.01 0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 1ar1 s PRO 161 Cb -0.14 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1ar1 s PRO 161 CO 0.03 0.61 1.05 0.08 0.04 0.00 0.00 177.00 178.81 1ar1 s VAL 162 N -1.33 4.68 0.01 -0.36 1.01 -0.41 -4.91 120.40 119.09 1ar1 s VAL 162 Ca 0.30 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.29 1ar1 s VAL 162 Cb -0.14 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1ar1 s VAL 162 CO 0.17 -0.01 -0.17 0.68 0.00 0.00 0.00 175.10 175.77 1ar1 s VAL 163 N 2.12 2.88 0.02 2.92 -7.23 -1.26 -1.03 120.40 118.83 1ar1 s VAL 163 Ca 0.49 -1.01 -0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1ar1 s VAL 163 Cb -0.19 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 1ar1 s VAL 163 CO 0.18 0.44 -0.02 0.68 -0.31 0.00 0.00 175.10 176.06 1ar1 s VAL 164 N -0.85 0.13 0.05 1.32 -7.23 -0.19 -4.96 120.40 108.67 1ar1 s VAL 164 Ca 0.14 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 1ar1 s VAL 164 Cb -0.11 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1ar1 s VAL 164 CO 0.04 -0.58 0.97 -2.16 -0.31 0.00 0.00 175.10 173.06 1ar1 s PRO 165 N -1.90 4.62 0.66 4.82 0.04 -1.26 -1.04 135.00 140.95 1ar1 s PRO 165 Ca -0.12 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1ar1 s PRO 165 Cb -0.07 -3.42 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 1ar1 s PRO 165 CO -0.03 0.07 1.28 1.33 0.04 0.00 0.00 177.00 179.70 1ar1 n VAL 166 N 3.36 4.76 -1.20 -0.36 0.24 0.89 -3.20 118.33 122.83 1ar1 n VAL 166 Ca 0.04 -0.48 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 1ar1 n VAL 166 Cb 0.50 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.37 1ar1 n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ar1 n GLY 167 N 0.91 0.83 3.48 7.63 0.00 0.53 -4.78 105.19 113.79 1ar1 n GLY 167 Ca 0.16 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1ar1 n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ar1 s LYS 168 N -2.23 1.72 -0.59 1.61 3.01 -1.19 -4.97 119.74 117.10 1ar1 s LYS 168 Ca 0.00 -1.35 -0.28 0.00 -1.01 0.00 0.00 55.97 53.33 1ar1 s LYS 168 Cb 0.00 -2.00 0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1ar1 s LYS 168 CO 0.00 0.43 1.20 0.15 0.51 0.00 0.00 175.35 177.64 1ar1 s LYS 169 N -2.52 3.50 -0.22 1.68 1.02 -1.26 -4.20 119.74 117.73 1ar1 s LYS 169 Ca 0.20 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.31 1ar1 s LYS 169 Cb -0.09 -4.02 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 1ar1 s LYS 169 CO 0.11 -1.70 0.20 0.08 -0.92 0.00 0.00 175.35 173.12 1ar1 s VAL 170 N 5.00 5.34 -0.27 3.17 1.01 0.34 -0.73 120.40 134.26 1ar1 s VAL 170 Ca 0.43 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1ar1 s VAL 170 Cb -0.07 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1ar1 s VAL 170 CO 0.25 0.36 0.09 -0.22 0.00 0.00 0.00 175.10 175.57 1ar1 s LEU 171 N 0.89 3.66 -0.20 3.92 2.96 0.01 -1.76 118.68 128.15 1ar1 s LEU 171 Ca 0.10 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.51 1ar1 s LEU 171 Cb -0.13 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1ar1 s LEU 171 CO 0.03 -0.11 0.13 -0.69 -1.32 0.00 0.00 176.35 174.40 1ar1 s VAL 172 N 1.58 5.39 -0.43 1.68 1.01 0.75 -1.35 120.40 129.04 1ar1 s VAL 172 Ca 0.05 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1ar1 s VAL 172 Cb -0.16 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.83 1ar1 s VAL 172 CO 0.04 0.44 0.30 -1.10 0.00 0.00 0.00 175.10 174.77 1ar1 s GLN 173 N 0.39 2.75 0.04 2.72 -0.21 0.04 -1.92 119.66 123.48 1ar1 s GLN 173 Ca 0.08 -1.39 -0.03 0.00 0.02 0.00 0.00 55.36 54.04 1ar1 s GLN 173 Cb -0.11 -3.90 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 1ar1 s GLN 173 CO -0.02 -0.96 0.25 0.14 -2.12 0.00 0.00 175.29 172.58 1ar1 s VAL 174 N 1.51 5.34 0.09 1.09 -7.23 0.14 -0.58 120.40 120.75 1ar1 s VAL 174 Ca 0.03 -0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.83 1ar1 s VAL 174 Cb -0.23 -3.59 0.09 0.00 0.56 0.00 0.00 36.38 33.21 1ar1 s VAL 174 CO 0.04 0.23 1.12 0.28 -0.31 0.00 0.00 175.10 176.46 1ar1 s THR 175 N -1.43 0.00 0.14 5.32 -1.32 -0.87 -1.14 115.64 116.33 1ar1 s THR 175 Ca 0.32 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1ar1 s THR 175 Cb -0.13 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 1ar1 s THR 175 CO 0.22 0.00 0.06 0.00 -2.21 0.00 0.00 174.62 172.68 1ar1 s ALA 176 N -2.60 0.92 -0.25 11.08 0.00 -1.26 -0.21 121.76 129.44 1ar1 s ALA 176 Ca 0.17 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1ar1 s ALA 176 Cb 0.01 0.88 -0.18 0.00 0.00 0.00 0.00 23.12 23.83 1ar1 s ALA 176 CO 0.01 -0.48 -0.20 0.25 0.00 0.00 0.00 175.76 175.33 1ar1 n THR 177 N -0.12 1.47 0.00 0.00 -2.24 -0.85 -3.92 114.28 108.62 1ar1 n THR 177 Ca -0.05 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1ar1 n THR 177 Cb 0.64 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1ar1 n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ar1 n ASP 178 N -3.21 0.00 -4.52 3.42 5.68 -1.26 -4.91 116.55 111.75 1ar1 n ASP 178 Ca -0.44 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 53.63 1ar1 n ASP 178 Cb 1.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 41.00 1ar1 n ASP 178 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ar1 n VAL 179 N -1.37 0.00 -2.98 2.12 0.31 -1.26 -4.77 118.33 110.38 1ar1 n VAL 179 Ca 0.00 -1.86 -0.41 0.00 -0.01 0.00 0.00 64.34 62.06 1ar1 n VAL 179 Cb 0.00 -0.22 -0.05 0.00 -0.91 0.00 0.00 33.84 32.67 1ar1 n VAL 179 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ar1 s ILE 180 N -2.34 4.94 0.51 2.52 1.01 -1.26 -4.44 121.20 122.14 1ar1 s ILE 180 Ca 0.35 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.48 1ar1 s ILE 180 Cb -0.03 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1ar1 s ILE 180 CO 0.22 0.08 0.02 -1.00 0.00 0.00 0.00 174.94 174.26 1ar1 s HIS 181 N 1.91 1.79 -0.08 3.97 3.76 -0.61 -4.33 115.29 121.71 1ar1 s HIS 181 Ca 0.35 -1.04 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 1ar1 s HIS 181 Cb -0.16 -1.53 0.04 0.00 1.11 0.00 0.00 32.58 32.04 1ar1 s HIS 181 CO 0.12 0.12 0.17 0.00 -0.85 0.00 0.00 174.74 174.31 1ar1 s ALA 182 N -2.94 -0.30 -0.11 -1.40 0.00 -1.26 0.10 121.76 115.84 1ar1 s ALA 182 Ca 0.05 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1ar1 s ALA 182 Cb 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1ar1 s ALA 182 CO 0.03 -0.25 0.37 -0.46 0.00 0.00 0.00 175.76 175.45 1ar1 s TRP 183 N 1.43 3.53 -0.04 0.00 -0.00 -0.17 -1.19 118.94 122.50 1ar1 s TRP 183 Ca -0.07 0.77 -0.30 0.00 -0.00 0.00 0.00 56.10 56.51 1ar1 s TRP 183 Cb -0.11 -2.39 0.07 0.00 -0.00 0.00 0.00 33.47 31.03 1ar1 s TRP 183 CO -0.06 0.30 0.65 -0.08 -0.00 0.00 0.00 176.95 177.76 1ar1 s THR 184 N 0.19 0.00 -0.27 5.86 -1.32 -1.26 -1.61 115.64 117.24 1ar1 s THR 184 Ca 0.21 -0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1ar1 s THR 184 Cb -0.14 -0.97 0.09 0.00 -1.51 0.00 0.00 72.50 69.97 1ar1 s THR 184 CO 0.08 -0.02 0.11 -0.63 -2.21 0.00 0.00 174.62 171.94 1ar1 s ILE 185 N -1.24 0.24 0.17 5.08 -1.09 -1.01 -4.21 121.20 119.13 1ar1 s ILE 185 Ca -0.11 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.27 1ar1 s ILE 185 Cb -0.00 -1.11 0.09 0.00 -1.58 0.00 0.00 42.46 39.85 1ar1 s ILE 185 CO 0.09 -0.60 1.61 -0.65 -1.23 0.00 0.00 174.94 174.16 1ar1 h PRO 186 N 8.31 -0.20 0.00 2.79 0.11 -1.80 -1.46 132.00 139.75 1ar1 h PRO 186 Ca -0.17 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ar1 h PRO 186 Cb 1.04 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ar1 h PRO 186 CO 0.42 -0.13 0.18 0.00 -0.21 0.00 0.00 178.00 178.25 1ar1 n ALA 187 N -2.99 0.80 0.61 -0.75 0.00 -1.26 0.75 120.51 117.66 1ar1 n ALA 187 Ca 0.02 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1ar1 n ALA 187 Cb 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1ar1 n ALA 187 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ar1 n PHE 188 N -2.13 0.00 -3.33 0.00 3.72 -0.59 -0.87 117.46 114.26 1ar1 n PHE 188 Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.17 1ar1 n PHE 188 Cb 0.20 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 1ar1 n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ar1 n ALA 189 N -0.41 -1.12 -2.37 4.37 0.00 0.23 -3.73 120.51 117.48 1ar1 n ALA 189 Ca 0.05 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 1ar1 n ALA 189 Cb 0.27 -4.71 -0.15 0.00 0.00 0.00 0.00 19.45 14.87 1ar1 n ALA 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ar1 s VAL 190 N -3.25 2.34 -0.29 0.00 -7.23 -1.14 -4.83 120.40 106.01 1ar1 s VAL 190 Ca 0.46 -1.17 -0.15 0.00 -1.81 0.00 0.00 61.98 59.30 1ar1 s VAL 190 Cb -0.20 -1.89 0.14 0.00 0.56 0.00 0.00 36.38 34.98 1ar1 s VAL 190 CO 0.57 0.47 0.90 -0.75 -0.31 0.00 0.00 175.10 175.97 1ar1 s LYS 191 N -0.99 0.43 -0.04 4.82 2.20 -1.26 -2.41 119.74 122.50 1ar1 s LYS 191 Ca 0.12 0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 56.50 1ar1 s LYS 191 Cb -0.10 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.45 1ar1 s LYS 191 CO 0.01 -0.11 0.16 -1.14 -0.36 0.00 0.00 175.35 173.91 1ar1 s GLN 192 N 1.74 0.29 0.17 4.03 2.00 -0.63 -5.02 119.66 122.25 1ar1 s GLN 192 Ca -0.08 0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.01 1ar1 s GLN 192 Cb -0.05 0.13 -0.07 0.00 0.80 0.00 0.00 33.01 33.81 1ar1 s GLN 192 CO -0.17 -0.05 0.93 -0.51 -0.50 0.00 0.00 175.29 174.99 1ar1 s ASP 193 N -0.39 7.55 -0.58 6.67 1.01 -1.26 -1.00 116.67 128.67 1ar1 s ASP 193 Ca -0.05 1.85 -0.19 0.00 0.71 0.00 0.00 52.55 54.87 1ar1 s ASP 193 Cb -0.03 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.40 1ar1 s ASP 193 CO 0.01 0.06 0.71 0.00 0.21 0.00 0.00 175.17 176.16 1ar1 s ALA 194 N -0.63 3.37 -0.17 5.23 0.00 0.29 -4.74 121.76 125.10 1ar1 s ALA 194 Ca 0.43 -2.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.31 1ar1 s ALA 194 Cb -0.24 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 1ar1 s ALA 194 CO 0.30 -2.31 -0.05 0.08 0.00 0.00 0.00 175.76 173.79 1ar1 s VAL 195 N 2.84 3.64 0.20 0.00 1.01 -1.26 -1.57 120.40 125.25 1ar1 s VAL 195 Ca 0.14 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.36 1ar1 s VAL 195 Cb -0.22 -2.60 -0.13 0.00 0.00 0.00 0.00 36.38 33.43 1ar1 s VAL 195 CO 0.08 0.48 1.63 -2.65 0.00 0.00 0.00 175.10 174.64 1ar1 n PRO 196 N 3.86 2.46 -0.67 2.72 -0.02 -1.25 -1.70 135.00 140.39 1ar1 n PRO 196 Ca -0.18 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ar1 n PRO 196 Cb 0.52 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1ar1 n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ar1 n GLY 197 N 3.45 0.77 2.93 -1.23 0.00 -1.26 -4.98 105.19 104.87 1ar1 n GLY 197 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1ar1 n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ar1 s ARG 198 N -0.33 0.49 -0.52 1.61 0.52 -0.69 -5.11 118.95 114.92 1ar1 s ARG 198 Ca 0.00 -0.14 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1ar1 s ARG 198 Cb 0.00 -0.51 0.14 0.00 0.52 0.00 0.00 34.95 35.10 1ar1 s ARG 198 CO 0.00 0.05 0.32 0.42 0.02 0.00 0.00 175.30 176.11 1ar1 s ILE 199 N 0.21 3.43 0.57 1.52 1.01 -1.26 -4.42 121.20 122.27 1ar1 s ILE 199 Ca -0.02 -2.58 -0.10 0.00 0.00 0.00 0.00 60.65 57.95 1ar1 s ILE 199 Cb -0.06 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1ar1 s ILE 199 CO -0.00 -0.79 0.96 0.00 0.00 0.00 0.00 174.94 175.11 1ar1 s ALA 200 N 0.46 3.18 0.22 9.38 0.00 -0.29 -4.86 121.76 129.84 1ar1 s ALA 200 Ca 0.13 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1ar1 s ALA 200 Cb -0.22 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1ar1 s ALA 200 CO -0.04 -0.54 -0.17 -0.65 0.00 0.00 0.00 175.76 174.36 1ar1 s GLN 201 N -4.91 1.43 -0.20 0.00 -0.21 -1.26 -0.69 119.66 113.83 1ar1 s GLN 201 Ca 0.53 -1.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.03 1ar1 s GLN 201 Cb -0.11 -1.38 0.08 0.00 1.00 0.00 0.00 33.01 32.60 1ar1 s GLN 201 CO 0.49 0.25 0.75 -0.48 -2.12 0.00 0.00 175.29 174.18 1ar1 s LEU 202 N -3.25 -0.67 0.30 2.90 0.05 -0.81 -4.97 118.68 112.24 1ar1 s LEU 202 Ca 0.24 1.10 0.03 0.00 0.05 0.00 0.00 54.13 55.54 1ar1 s LEU 202 Cb -0.03 2.40 -0.05 0.00 -2.05 0.00 0.00 46.19 46.46 1ar1 s LEU 202 CO 0.09 -0.36 0.09 -1.66 -0.55 0.00 0.00 176.35 173.97 1ar1 s TRP 203 N -0.22 1.72 0.00 3.48 1.48 -1.26 -0.18 118.94 123.97 1ar1 s TRP 203 Ca -0.03 -1.14 0.00 0.00 -1.06 0.00 0.00 56.10 53.87 1ar1 s TRP 203 Cb -0.03 -1.06 0.00 0.00 -1.16 0.00 0.00 33.47 31.22 1ar1 s TRP 203 CO 0.03 -0.23 0.00 1.97 -4.06 0.00 0.00 176.95 174.66 1ar1 n PHE 204 N -0.60 0.00 -3.88 1.66 1.16 -0.72 -4.97 117.46 110.11 1ar1 n PHE 204 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.42 1ar1 n PHE 204 Cb 0.66 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.38 1ar1 n PHE 204 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1ar1 s SER 205 N 0.00 0.19 -0.09 5.98 1.04 -1.26 -0.51 113.70 119.05 1ar1 s SER 205 Ca 0.00 -0.00 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1ar1 s SER 205 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1ar1 s SER 205 CO 0.00 -0.07 0.57 -0.69 0.98 0.00 0.00 173.24 174.03 1ar1 s VAL 206 N 0.66 5.12 0.23 5.02 1.01 -1.26 -4.14 120.40 127.03 1ar1 s VAL 206 Ca -0.06 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1ar1 s VAL 206 Cb -0.09 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1ar1 s VAL 206 CO -0.02 0.30 1.69 0.44 0.00 0.00 0.00 175.10 177.52 1ar1 h ASP 207 N 6.67 0.81 -5.19 3.32 3.32 -1.64 0.15 116.42 123.87 1ar1 h ASP 207 Ca -0.41 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.31 1ar1 h ASP 207 Cb 1.19 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 1ar1 h ASP 207 CO 0.75 0.93 -0.27 0.00 -1.72 0.00 0.00 179.24 178.93 1ar1 s GLN 208 N -4.83 1.07 0.26 3.56 -2.07 -1.26 -4.65 119.66 111.73 1ar1 s GLN 208 Ca -0.10 -1.02 -0.30 0.00 -1.82 0.00 0.00 55.36 52.13 1ar1 s GLN 208 Cb 0.14 0.39 -0.10 0.00 -1.09 0.00 0.00 33.01 32.35 1ar1 s GLN 208 CO 0.83 -0.39 1.46 -1.21 -1.32 0.00 0.00 175.29 174.66 1ar1 s GLU 209 N -3.90 4.25 0.00 9.60 2.02 -1.26 -4.80 118.70 124.61 1ar1 s GLU 209 Ca 0.11 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.44 1ar1 s GLU 209 Cb 0.03 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1ar1 s GLU 209 CO -0.05 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1ar1 n GLY 210 N 2.19 -1.84 3.44 -1.39 0.00 -0.75 -4.55 105.19 102.28 1ar1 n GLY 210 Ca 0.07 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1ar1 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ar1 s VAL 211 N -2.32 3.40 -0.04 1.61 1.01 0.37 -1.35 120.40 123.08 1ar1 s VAL 211 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ar1 s VAL 211 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1ar1 s VAL 211 CO 0.00 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.21 1ar1 s TYR 212 N 0.13 1.17 0.27 5.22 2.02 -0.54 -0.28 117.35 125.35 1ar1 s TYR 212 Ca -0.04 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1ar1 s TYR 212 Cb -0.14 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1ar1 s TYR 212 CO 0.04 -0.17 0.29 -0.06 -1.57 0.00 0.00 175.55 174.08 1ar1 s PHE 213 N 0.39 3.17 -0.02 2.71 0.08 0.43 -1.21 117.98 123.52 1ar1 s PHE 213 Ca -0.08 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.60 1ar1 s PHE 213 Cb -0.12 -1.59 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1ar1 s PHE 213 CO 0.02 0.38 0.54 0.20 -0.10 0.00 0.00 175.22 176.25 1ar1 s GLY 214 N -3.95 -0.42 0.21 4.36 0.00 -0.54 -4.19 107.32 102.79 1ar1 s GLY 214 Ca 0.36 0.89 0.08 0.00 0.00 0.00 0.00 44.72 46.05 1ar1 s GLY 214 CO 0.27 0.58 -0.16 1.20 0.00 0.00 0.00 173.10 175.00 1ar1 s GLN 215 N -1.45 1.36 0.22 2.90 -0.21 -1.26 0.11 119.66 121.33 1ar1 s GLN 215 Ca -0.11 -1.59 -0.31 0.00 0.02 0.00 0.00 55.36 53.38 1ar1 s GLN 215 Cb -0.02 -1.22 -0.11 0.00 1.00 0.00 0.00 33.01 32.66 1ar1 s GLN 215 CO 0.06 0.21 1.58 0.00 -2.12 0.00 0.00 175.29 175.03 1ar1 n SER 217 N 3.26 5.58 -3.35 0.00 7.64 -0.34 -4.88 113.62 121.54 1ar1 n SER 217 Ca 0.12 -3.76 0.02 0.00 1.01 0.00 0.00 58.87 56.26 1ar1 n SER 217 Cb 0.38 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 1ar1 n SER 217 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ar1 s GLU 218 N -3.67 0.34 -0.44 1.43 2.56 -1.26 -4.49 118.70 113.16 1ar1 s GLU 218 Ca 0.52 0.77 -0.45 0.00 0.00 0.00 0.00 54.97 55.81 1ar1 s GLU 218 Cb 0.43 0.46 -0.19 0.00 2.00 0.00 0.00 34.13 36.82 1ar1 s GLU 218 CO -0.10 -0.19 1.51 -0.11 -0.56 0.00 0.00 175.26 175.81 1ar1 n LEU 219 N 5.18 1.07 0.00 2.70 7.94 -1.26 -4.48 117.00 128.16 1ar1 n LEU 219 Ca -0.08 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1ar1 n LEU 219 Cb 0.52 -0.86 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1ar1 n LEU 219 CO -0.05 -0.90 0.26 0.00 -1.11 0.00 0.00 177.39 175.59 1ar1 n GLY 221 N -0.13 0.92 0.33 0.00 0.00 -1.26 -4.83 105.19 100.22 1ar1 n GLY 221 Ca 0.00 -1.96 0.20 0.00 0.00 0.00 0.00 46.02 44.26 1ar1 n GLY 221 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ar1 h ILE 222 N 0.00 0.14 -0.85 -0.61 2.10 -2.02 -2.89 117.51 113.38 1ar1 h ILE 222 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 64.86 65.44 1ar1 h ILE 222 Cb 0.00 0.92 -0.42 0.00 -1.09 0.00 0.00 36.82 36.22 1ar1 h ILE 222 CO 0.00 0.00 -0.87 0.59 -1.08 0.00 0.00 178.15 176.79 1ar1 n ASN 223 N -3.25 4.24 0.25 2.19 3.02 -1.26 -4.76 115.26 115.69 1ar1 n ASN 223 Ca -0.02 -3.44 0.13 0.00 -0.03 0.00 0.00 54.58 51.22 1ar1 n ASN 223 Cb 0.16 -0.39 0.64 0.00 -0.61 0.00 0.00 39.78 39.58 1ar1 n ASN 223 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1ar1 h HIS 224 N 2.35 0.00 -0.00 3.10 -0.00 -1.83 -2.20 115.15 116.57 1ar1 h HIS 224 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1ar1 h HIS 224 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 1ar1 h HIS 224 CO 0.78 0.13 -0.36 0.00 -0.00 0.00 0.00 177.93 178.47 1ar1 n ALA 225 N -2.20 3.27 -2.16 5.26 0.00 -1.26 -4.32 120.51 119.09 1ar1 n ALA 225 Ca -0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 1ar1 n ALA 225 Cb 0.32 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.62 1ar1 n ALA 225 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ar1 n TYR 226 N -1.19 3.07 -3.05 0.00 4.01 -0.83 -4.75 117.16 114.43 1ar1 n TYR 226 Ca 0.08 -2.65 -0.18 0.00 -0.16 0.00 0.00 57.90 55.00 1ar1 n TYR 226 Cb 0.33 -0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1ar1 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ar1 n MET 227 N -0.62 0.81 -0.86 -0.72 0.00 -1.26 -4.54 117.12 109.93 1ar1 n MET 227 Ca 0.44 -2.79 -0.28 0.00 0.00 0.00 0.00 57.70 55.06 1ar1 n MET 227 Cb 0.78 -1.35 0.24 0.00 0.00 0.00 0.00 33.22 32.89 1ar1 n MET 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1ar1 n PRO 228 N 1.14 -3.29 -4.24 3.17 -0.04 -1.26 -3.95 135.00 126.53 1ar1 n PRO 228 Ca 0.18 -1.61 -0.17 0.00 -0.04 0.00 0.00 63.50 61.86 1ar1 n PRO 228 Cb 0.59 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1ar1 n PRO 228 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ar1 s ILE 229 N -2.74 0.62 -0.03 0.52 1.01 0.12 -4.77 121.20 115.92 1ar1 s ILE 229 Ca 0.66 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1ar1 s ILE 229 Cb -0.07 -0.56 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1ar1 s ILE 229 CO 0.52 0.04 0.05 -0.69 0.00 0.00 0.00 174.94 174.86 1ar1 s VAL 230 N -0.46 -0.09 -0.08 2.92 1.01 -1.26 -1.47 120.40 120.98 1ar1 s VAL 230 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1ar1 s VAL 230 Cb -0.05 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.22 1ar1 s VAL 230 CO 0.00 0.13 -0.16 0.54 0.00 0.00 0.00 175.10 175.61 1ar1 s VAL 231 N 1.64 1.44 -0.18 2.92 0.11 -0.35 -1.29 120.40 124.69 1ar1 s VAL 231 Ca -0.02 -0.66 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1ar1 s VAL 231 Cb -0.12 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1ar1 s VAL 231 CO -0.03 0.42 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.58 1ar1 s LYS 232 N 0.54 3.57 -0.16 1.54 1.02 -0.19 -1.47 119.74 124.59 1ar1 s LYS 232 Ca -0.16 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1ar1 s LYS 232 Cb -0.16 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1ar1 s LYS 232 CO 0.05 0.08 0.02 0.00 -0.92 0.00 0.00 175.35 174.59 1ar1 s ALA 233 N 0.77 3.25 0.12 5.17 0.00 -0.46 -1.02 121.76 129.60 1ar1 s ALA 233 Ca -0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ar1 s ALA 233 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1ar1 s ALA 233 CO 0.02 0.26 0.02 0.14 0.00 0.00 0.00 175.76 176.20 1ar1 s VAL 234 N 0.15 0.29 0.65 0.00 -7.23 -0.20 -1.81 120.40 112.25 1ar1 s VAL 234 Ca 0.02 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1ar1 s VAL 234 Cb -0.13 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1ar1 s VAL 234 CO 0.01 -0.62 1.29 -1.54 -0.31 0.00 0.00 175.10 173.93 1ar1 n SER 235 N -0.07 2.03 -0.33 4.85 3.41 -1.26 -0.08 113.62 122.17 1ar1 n SER 235 Ca -0.08 0.82 0.14 0.00 -0.26 0.00 0.00 58.87 59.50 1ar1 n SER 235 Cb 0.63 -1.55 0.36 0.00 -0.26 0.00 0.00 64.21 63.39 1ar1 n SER 235 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ar1 h GLN 236 N 0.50 0.67 0.18 4.33 5.75 -1.93 0.13 115.11 124.74 1ar1 h GLN 236 Ca -0.51 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.94 1ar1 h GLN 236 Cb 1.34 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1ar1 h GLN 236 CO 0.53 0.44 -0.10 1.49 -2.65 0.00 0.00 178.83 178.54 1ar1 h GLU 237 N 0.69 -0.26 -0.59 1.69 4.81 -2.00 -0.56 114.58 118.35 1ar1 h GLU 237 Ca 0.56 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1ar1 h GLU 237 Cb 0.97 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1ar1 h GLU 237 CO -0.34 -0.17 0.36 0.87 -0.73 0.00 0.00 179.01 179.00 1ar1 h LYS 238 N -0.27 0.79 -0.31 1.92 1.57 -1.55 -2.73 116.57 115.98 1ar1 h LYS 238 Ca -0.02 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1ar1 h LYS 238 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1ar1 h LYS 238 CO 0.03 0.55 -0.31 -0.92 -0.57 0.00 0.00 179.45 178.22 1ar1 h TYR 239 N 0.81 0.78 -0.67 -1.35 3.20 -0.19 -1.83 116.97 117.72 1ar1 h TYR 239 Ca 0.21 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1ar1 h TYR 239 Cb -0.05 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1ar1 h TYR 239 CO 0.00 0.91 0.14 0.93 -1.64 0.00 0.00 178.16 178.50 1ar1 h GLU 240 N 0.57 1.09 0.77 1.82 5.08 -0.82 -0.11 114.58 123.00 1ar1 h GLU 240 Ca 0.07 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1ar1 h GLU 240 Cb 0.82 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1ar1 h GLU 240 CO 0.07 0.99 -0.37 0.00 -1.00 0.00 0.00 179.01 178.69 1ar1 h ALA 241 N 1.06 -1.07 -0.84 3.43 0.00 -1.36 -1.41 119.26 119.07 1ar1 h ALA 241 Ca 0.21 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1ar1 h ALA 241 Cb 0.40 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1ar1 h ALA 241 CO 0.01 -1.00 0.39 2.35 0.00 0.00 0.00 179.25 181.00 1ar1 h TRP 242 N -1.24 0.68 -0.84 0.00 7.01 -1.35 -0.62 115.95 119.60 1ar1 h TRP 242 Ca -0.11 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 1ar1 h TRP 242 Cb 0.80 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.64 1ar1 h TRP 242 CO 0.01 0.10 0.51 1.25 -2.79 0.00 0.00 178.44 177.51 1ar1 h LEU 243 N 0.52 1.00 -0.26 0.65 5.85 -0.92 -1.39 115.31 120.75 1ar1 h LEU 243 Ca 0.48 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 1ar1 h LEU 243 Cb 0.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1ar1 h LEU 243 CO -0.42 0.76 0.10 0.00 -0.34 0.00 0.00 178.44 178.54 1ar1 h ALA 244 N 1.41 0.34 -0.86 1.25 0.00 0.03 -1.98 119.26 119.46 1ar1 h ALA 244 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ar1 h ALA 244 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1ar1 h ALA 244 CO -0.06 -0.05 0.43 0.78 0.00 0.00 0.00 179.25 180.35 1ar1 h GLY 245 N 0.27 1.31 1.88 0.00 0.00 -1.09 -2.87 103.07 102.57 1ar1 h GLY 245 Ca 0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1ar1 h GLY 245 CO -0.01 0.60 -0.24 0.00 0.00 0.00 0.00 176.54 176.90 1ar1 h ALA 246 N 1.23 1.44 0.00 3.60 0.00 -1.11 0.34 119.26 124.76 1ar1 h ALA 246 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ar1 h ALA 246 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ar1 h ALA 246 CO -0.04 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.24 1ar1 n LYS 247 N -4.20 0.12 -0.06 0.00 5.02 -0.76 -0.81 118.16 117.47 1ar1 n LYS 247 Ca -0.01 0.43 -0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1ar1 n LYS 247 Cb 0.33 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1ar1 n LYS 247 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ar1 n GLU 248 N -1.99 0.38 -0.08 1.97 -0.58 -0.82 -4.06 120.64 115.45 1ar1 n GLU 248 Ca 0.02 0.16 0.02 0.00 -0.42 0.00 0.00 57.16 56.93 1ar1 n GLU 248 Cb 0.16 -1.15 0.33 0.00 -0.57 0.00 0.00 31.44 30.20 1ar1 n GLU 248 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ar1 h GLU 249 N -0.68 0.71 -1.41 3.49 4.81 -1.00 -3.07 114.58 117.44 1ar1 h GLU 249 Ca -0.17 -0.07 -0.53 0.00 -0.13 0.00 0.00 59.36 58.46 1ar1 h GLU 249 Cb 0.95 -0.15 -0.41 0.00 0.63 0.00 0.00 28.75 29.76 1ar1 h GLU 249 CO -0.10 0.52 -0.86 1.19 -0.73 0.00 0.00 179.01 179.03 1ar1 n PHE 250 N -4.41 2.79 -1.72 0.92 3.72 0.01 -5.04 117.46 113.73 1ar1 n PHE 250 Ca 0.05 -3.06 -0.42 0.00 -0.05 0.00 0.00 57.45 53.96 1ar1 n PHE 250 Cb 0.09 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1ar1 n PHE 250 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ar1 s ALA 251 N -3.41 3.94 -2.00 4.37 0.00 -1.16 -1.78 121.76 121.72 1ar1 s ALA 251 Ca 0.42 1.59 0.19 0.00 0.00 0.00 0.00 51.96 54.16 1ar1 s ALA 251 Cb 0.41 -3.70 1.12 0.00 0.00 0.00 0.00 23.12 20.95 1ar1 s ALA 251 CO -0.13 -0.94 1.51 0.00 0.00 0.00 0.00 175.76 176.20