#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s ALA 3 N 0.00 4.37 -0.42 0.00 0.00 -1.26 -5.08 121.76 119.36 1x86 s ALA 3 Ca 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.09 1x86 s ALA 3 Cb 0.00 -1.33 0.09 0.00 0.00 0.00 0.00 23.12 21.87 1x86 s ALA 3 CO 0.00 -0.33 0.26 0.42 0.00 0.00 0.00 175.76 176.12 1x86 s ILE 4 N -2.45 4.12 0.07 0.00 1.01 -1.26 -5.03 121.20 117.66 1x86 s ILE 4 Ca 0.52 -1.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.40 1x86 s ILE 4 Cb -0.07 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1x86 s ILE 4 CO 0.31 -0.56 0.80 -0.60 0.00 0.00 0.00 174.94 174.89 1x86 s ARG 5 N 1.39 4.54 0.08 2.79 3.52 -1.26 -0.68 118.95 129.33 1x86 s ARG 5 Ca 0.04 1.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 1x86 s ARG 5 Cb -0.23 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1x86 s ARG 5 CO 0.01 0.31 -0.12 0.15 -0.81 0.00 0.00 175.30 174.84 1x86 s LYS 6 N -0.20 0.81 -0.20 5.12 -0.14 -0.93 -4.93 119.74 119.27 1x86 s LYS 6 Ca 0.40 -1.01 -0.04 0.00 -1.36 0.00 0.00 55.97 53.95 1x86 s LYS 6 Cb -0.21 -0.69 -0.02 0.00 -1.68 0.00 0.00 37.83 35.23 1x86 s LYS 6 CO 0.25 0.14 -0.02 0.21 -0.76 0.00 0.00 175.35 175.16 1x86 s LYS 7 N -2.09 3.54 -0.15 1.68 2.20 -1.26 0.21 119.74 123.87 1x86 s LYS 7 Ca -0.00 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1x86 s LYS 7 Cb -0.08 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1x86 s LYS 7 CO 0.02 -0.02 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.72 1x86 s LEU 8 N 1.06 2.84 0.01 5.43 0.20 -0.67 -0.70 118.68 126.83 1x86 s LEU 8 Ca 0.02 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.54 1x86 s LEU 8 Cb -0.14 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1x86 s LEU 8 CO 0.01 0.13 0.04 -0.69 -0.29 0.00 0.00 176.35 175.55 1x86 s VAL 9 N 0.55 4.39 -0.43 1.68 1.01 -1.14 -1.53 120.40 124.94 1x86 s VAL 9 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1x86 s VAL 9 Cb -0.15 -3.00 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1x86 s VAL 9 CO 0.03 0.33 0.17 -0.51 0.00 0.00 0.00 175.10 175.13 1x86 s ILE 10 N -1.16 2.66 0.80 2.22 2.07 -1.16 -1.04 121.20 125.59 1x86 s ILE 10 Ca 0.22 -2.65 -0.07 0.00 -1.41 0.00 0.00 60.65 56.74 1x86 s ILE 10 Cb -0.12 -2.88 0.14 0.00 0.13 0.00 0.00 42.46 39.73 1x86 s ILE 10 CO 0.13 -0.70 1.11 0.68 -1.91 0.00 0.00 174.94 174.25 1x86 s VAL 11 N 0.50 2.12 0.00 4.00 -7.23 -0.84 -3.90 120.40 115.05 1x86 s VAL 11 Ca 0.13 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1x86 s VAL 11 Cb -0.22 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1x86 s VAL 11 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1x86 n GLY 12 N -3.16 4.66 0.00 2.32 0.00 -1.26 -1.77 105.19 105.97 1x86 n GLY 12 Ca 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1x86 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x86 n ASP 13 N 0.00 0.00 -0.09 1.61 8.00 -1.26 -4.87 116.55 119.95 1x86 n ASP 13 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1x86 n ASP 13 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1x86 n ASP 13 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1x86 h GLY 14 N 0.00 0.00 1.02 0.44 0.00 -1.97 -3.37 103.07 99.18 1x86 h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x86 h GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1x86 n ALA 15 N -3.09 2.04 -1.32 3.60 0.00 -1.26 -3.79 120.51 116.68 1x86 n ALA 15 Ca -0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.08 1x86 n ALA 15 Cb 0.54 -1.24 0.21 0.00 0.00 0.00 0.00 19.45 18.96 1x86 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x86 n GLY 17 N -0.99 0.45 0.12 0.00 0.00 -1.25 -4.74 105.19 98.78 1x86 n GLY 17 Ca 0.37 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1x86 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x86 h LYS 18 N -0.10 0.24 0.55 1.61 1.57 -1.90 -3.18 116.57 115.36 1x86 h LYS 18 Ca -0.03 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1x86 h LYS 18 Cb 1.02 0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1x86 h LYS 18 CO 0.03 1.09 -0.27 1.15 -0.57 0.00 0.00 179.45 180.88 1x86 h THR 19 N 0.07 0.28 -0.15 -0.16 2.02 -1.94 -2.63 112.91 110.40 1x86 h THR 19 Ca -0.27 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.56 1x86 h THR 19 Cb 2.02 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.77 1x86 h THR 19 CO 0.15 0.04 -0.14 0.00 0.37 0.00 0.00 175.52 175.94 1x86 h LEU 21 N -0.17 0.11 -0.18 0.00 5.85 -1.55 1.17 115.31 120.55 1x86 h LEU 21 Ca 0.10 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.61 1x86 h LEU 21 Cb 0.31 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1x86 h LEU 21 CO -0.25 0.04 -0.90 -0.07 -0.34 0.00 0.00 178.44 176.93 1x86 h LEU 22 N 0.11 0.65 0.64 2.25 3.38 -0.50 -1.74 115.31 120.11 1x86 h LEU 22 Ca 0.41 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1x86 h LEU 22 Cb 1.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1x86 h LEU 22 CO -0.05 1.28 -0.33 0.40 0.09 0.00 0.00 178.44 179.82 1x86 h ILE 23 N 0.32 0.32 -0.99 1.22 1.08 1.00 -1.85 117.51 118.61 1x86 h ILE 23 Ca -0.08 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1x86 h ILE 23 Cb 1.52 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 1x86 h ILE 23 CO 0.16 0.00 0.65 0.58 -0.69 0.00 0.00 178.15 178.85 1x86 h VAL 24 N -0.89 1.19 -0.27 1.67 2.07 0.10 0.23 116.25 120.35 1x86 h VAL 24 Ca -0.08 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 1x86 h VAL 24 Cb 0.70 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1x86 h VAL 24 CO 0.12 0.23 -0.30 0.15 0.02 0.00 0.00 177.57 177.80 1x86 h PHE 25 N 1.27 0.65 0.00 1.57 3.57 -1.25 -1.83 116.94 120.92 1x86 h PHE 25 Ca 0.39 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1x86 h PHE 25 Cb -0.03 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1x86 h PHE 25 CO -0.00 0.80 -0.23 0.66 -2.23 0.00 0.00 178.31 177.31 1x86 h SER 26 N 0.49 0.00 0.19 0.41 4.64 -0.32 -3.23 113.55 115.73 1x86 h SER 26 Ca 0.06 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1x86 h SER 26 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1x86 h SER 26 CO 0.06 0.75 -0.04 0.11 -0.87 0.00 0.00 176.83 176.84 1x86 h LYS 27 N -1.00 0.00 -5.49 4.77 1.57 -0.74 -3.46 116.57 112.22 1x86 h LYS 27 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 1x86 h LYS 27 Cb 0.43 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.81 1x86 h LYS 27 CO -0.02 0.04 -0.35 -3.47 -0.57 0.00 0.00 179.45 175.08 1x86 n ASP 28 N -3.53 -7.23 0.00 0.86 2.03 -0.70 -5.01 116.55 102.98 1x86 n ASP 28 Ca -0.02 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1x86 n ASP 28 Cb 0.15 -5.06 0.00 0.00 -0.72 0.00 0.00 41.12 35.49 1x86 n ASP 28 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1x86 n GLN 29 N -2.36 0.00 -1.73 -0.67 7.27 -1.17 -5.07 117.38 113.66 1x86 n GLN 29 Ca -0.04 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.61 1x86 n GLN 29 Cb 0.55 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.17 1x86 n GLN 29 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1x86 n PHE 30 N 0.00 2.78 -2.64 3.69 7.35 -1.26 -4.68 117.46 122.70 1x86 n PHE 30 Ca 0.00 0.14 -0.43 0.00 -0.76 0.00 0.00 57.45 56.40 1x86 n PHE 30 Cb 0.00 -2.64 -0.02 0.00 0.35 0.00 0.00 39.48 37.17 1x86 n PHE 30 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1x86 s PRO 31 N 0.46 4.34 -0.17 -7.13 0.04 -1.26 -4.94 135.00 126.34 1x86 s PRO 31 Ca 0.71 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 1x86 s PRO 31 Cb -0.51 -3.60 -0.22 0.00 0.04 0.00 0.00 34.50 30.21 1x86 s PRO 31 CO 0.39 -0.48 0.27 0.39 0.04 0.00 0.00 177.00 177.60 1x86 n GLU 32 N 5.68 0.65 -0.08 4.56 -0.58 -1.26 -4.48 120.64 125.13 1x86 n GLU 32 Ca 0.11 0.44 -0.04 0.00 -0.42 0.00 0.00 57.16 57.25 1x86 n GLU 32 Cb 0.47 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1x86 n GLU 32 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1x86 h VAL 33 N -0.55 0.00 -2.80 2.62 -1.51 -2.03 -3.45 116.25 108.53 1x86 h VAL 33 Ca -0.39 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.92 1x86 h VAL 33 Cb 1.62 0.00 -0.29 0.00 -2.13 0.00 0.00 31.29 30.49 1x86 h VAL 33 CO -0.09 0.00 -0.42 -0.47 -1.23 0.00 0.00 177.57 175.36 1x86 s TYR 34 N -3.80 -0.50 -0.41 5.19 5.04 -1.26 -5.12 117.35 116.49 1x86 s TYR 34 Ca -0.04 1.09 -0.26 0.00 -2.44 0.00 0.00 57.07 55.42 1x86 s TYR 34 Cb 0.03 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.49 1x86 s TYR 34 CO 0.19 -0.33 0.95 0.08 -1.34 0.00 0.00 175.55 175.11 1x86 s VAL 35 N 1.74 4.50 0.90 3.14 1.01 -1.26 -4.81 120.40 125.62 1x86 s VAL 35 Ca -0.06 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 1x86 s VAL 35 Cb -0.10 -4.40 0.06 0.00 0.00 0.00 0.00 36.38 31.94 1x86 s VAL 35 CO -0.10 -0.69 0.72 -0.81 0.00 0.00 0.00 175.10 174.21 1x86 n PRO 36 N 7.04 -0.22 0.02 2.72 -0.04 -1.26 -4.89 135.00 138.37 1x86 n PRO 36 Ca 0.07 -0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1x86 n PRO 36 Cb 0.48 -2.07 0.12 0.00 -0.04 0.00 0.00 33.50 31.99 1x86 n PRO 36 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x86 n THR 37 N -3.61 0.11 -4.50 0.52 -1.04 -1.26 -4.86 114.28 99.63 1x86 n THR 37 Ca 0.09 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 1x86 n THR 37 Cb 0.52 0.27 -0.13 0.00 -1.82 0.00 0.00 70.33 69.17 1x86 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x86 s VAL 38 N -3.09 1.73 -0.09 12.58 1.01 -1.26 -5.04 120.40 126.23 1x86 s VAL 38 Ca 0.07 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 1x86 s VAL 38 Cb 0.16 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1x86 s VAL 38 CO 0.76 0.10 0.19 0.12 0.00 0.00 0.00 175.10 176.27 1x86 s PHE 39 N -0.95 -0.26 0.04 5.22 5.36 -1.26 -5.05 117.98 121.08 1x86 s PHE 39 Ca 0.07 0.70 -0.15 0.00 -0.96 0.00 0.00 56.93 56.60 1x86 s PHE 39 Cb -0.09 -0.14 -0.06 0.00 -0.34 0.00 0.00 43.02 42.39 1x86 s PHE 39 CO 0.03 -0.27 0.45 -1.21 -1.46 0.00 0.00 175.22 172.76 1x86 s GLU 40 N 2.02 3.96 -0.27 10.12 2.02 -1.26 -4.61 118.70 130.68 1x86 s GLU 40 Ca -0.01 0.46 -0.25 0.00 0.02 0.00 0.00 54.97 55.19 1x86 s GLU 40 Cb -0.12 -3.17 -0.11 0.00 0.10 0.00 0.00 34.13 30.84 1x86 s GLU 40 CO -0.07 0.64 0.97 0.09 0.02 0.00 0.00 175.26 176.92 1x86 n ASN 41 N 1.59 0.58 -3.78 -0.19 3.02 -1.26 -4.85 115.26 110.37 1x86 n ASN 41 Ca -0.12 0.56 -0.13 0.00 -0.03 0.00 0.00 54.58 54.87 1x86 n ASN 41 Cb 0.52 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 1x86 n ASN 41 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x86 s TYR 42 N 2.17 -0.26 -0.38 3.10 5.04 -1.16 -4.97 117.35 120.87 1x86 s TYR 42 Ca 0.60 0.64 -0.12 0.00 -2.44 0.00 0.00 57.07 55.75 1x86 s TYR 42 Cb -0.82 0.07 0.02 0.00 0.35 0.00 0.00 41.96 41.58 1x86 s TYR 42 CO 0.42 -0.15 0.23 0.08 -1.34 0.00 0.00 175.55 174.80 1x86 s VAL 43 N 0.45 4.79 -0.24 3.14 1.01 -1.26 -0.25 120.40 128.05 1x86 s VAL 43 Ca -0.03 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1x86 s VAL 43 Cb -0.04 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1x86 s VAL 43 CO -0.02 -0.25 0.65 0.00 0.00 0.00 0.00 175.10 175.47 1x86 s ALA 44 N 1.59 3.60 0.18 5.51 0.00 -0.43 -4.93 121.76 127.28 1x86 s ALA 44 Ca 0.03 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 1x86 s ALA 44 Cb -0.19 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1x86 s ALA 44 CO 0.08 -0.75 1.42 -0.51 0.00 0.00 0.00 175.76 176.00 1x86 s ASP 45 N 1.39 6.74 -0.20 0.00 1.11 -1.26 -1.56 116.67 122.88 1x86 s ASP 45 Ca 0.28 2.50 -0.21 0.00 0.18 0.00 0.00 52.55 55.29 1x86 s ASP 45 Cb -0.16 -2.60 0.06 0.00 1.07 0.00 0.00 42.92 41.29 1x86 s ASP 45 CO 0.09 -0.68 0.60 -0.51 1.18 0.00 0.00 175.17 175.85 1x86 s ILE 46 N 0.57 0.00 -0.04 0.77 2.07 -0.55 -4.95 121.20 119.07 1x86 s ILE 46 Ca 0.62 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 1x86 s ILE 46 Cb -0.40 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.33 1x86 s ILE 46 CO 0.36 -0.01 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.51 1x86 s GLU 47 N 0.14 2.41 0.02 3.50 2.12 -1.26 0.16 118.70 125.79 1x86 s GLU 47 Ca -0.01 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.55 1x86 s GLU 47 Cb -0.04 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 1x86 s GLU 47 CO 0.02 0.60 -0.01 0.14 -0.54 0.00 0.00 175.26 175.47 1x86 s VAL 48 N -0.68 0.11 -1.10 3.70 -7.23 -0.56 -4.88 120.40 109.75 1x86 s VAL 48 Ca 0.11 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1x86 s VAL 48 Cb -0.11 -0.29 0.05 0.00 0.56 0.00 0.00 36.38 36.60 1x86 s VAL 48 CO 0.00 -0.49 0.32 0.47 -0.31 0.00 0.00 175.10 175.09 1x86 n ASP 49 N 1.57 -3.35 0.00 4.85 10.43 -1.26 0.58 116.55 129.36 1x86 n ASP 49 Ca -0.24 -0.19 0.00 0.00 2.57 0.00 0.00 54.79 56.94 1x86 n ASP 49 Cb 0.55 -2.82 0.00 0.00 1.84 0.00 0.00 41.12 40.70 1x86 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x86 n GLY 50 N -1.00 1.11 3.82 0.44 0.00 -1.26 -4.99 105.19 103.31 1x86 n GLY 50 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1x86 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x86 s LYS 51 N -0.23 4.22 -0.31 1.61 1.02 0.19 -5.05 119.74 121.19 1x86 s LYS 51 Ca 0.00 0.83 -0.13 0.00 0.02 0.00 0.00 55.97 56.69 1x86 s LYS 51 Cb 0.00 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1x86 s LYS 51 CO 0.00 0.41 0.24 -0.65 -0.92 0.00 0.00 175.35 174.44 1x86 s GLN 52 N -1.94 3.72 0.23 1.68 -1.52 -1.26 -1.50 119.66 119.07 1x86 s GLN 52 Ca 0.42 -0.44 0.11 0.00 -1.95 0.00 0.00 55.36 53.49 1x86 s GLN 52 Cb -0.17 -3.74 -0.05 0.00 -0.22 0.00 0.00 33.01 28.84 1x86 s GLN 52 CO 0.21 -0.34 -0.15 0.08 -0.25 0.00 0.00 175.29 174.84 1x86 s VAL 53 N 1.80 2.79 -0.61 1.09 1.01 0.41 -4.11 120.40 122.77 1x86 s VAL 53 Ca 0.08 -2.05 0.05 0.00 0.00 0.00 0.00 61.98 60.06 1x86 s VAL 53 Cb -0.17 -2.42 0.20 0.00 0.00 0.00 0.00 36.38 34.00 1x86 s VAL 53 CO 0.11 -0.25 0.55 1.21 0.00 0.00 0.00 175.10 176.72 1x86 n GLU 54 N -0.28 1.70 -2.28 2.72 2.13 0.15 -1.49 120.64 123.29 1x86 n GLU 54 Ca -0.09 -4.23 -0.43 0.00 0.66 0.00 0.00 57.16 53.08 1x86 n GLU 54 Cb 0.58 -2.08 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 1x86 n GLU 54 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1x86 s LEU 55 N -1.53 3.53 -0.28 4.31 2.96 -0.60 -2.20 118.68 124.87 1x86 s LEU 55 Ca 0.32 0.81 -0.23 0.00 -0.22 0.00 0.00 54.13 54.81 1x86 s LEU 55 Cb 0.05 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1x86 s LEU 55 CO -0.12 -1.57 0.76 0.00 -1.32 0.00 0.00 176.35 174.10 1x86 s ALA 56 N 5.97 3.58 -0.24 5.97 0.00 0.56 -1.32 121.76 136.28 1x86 s ALA 56 Ca 0.64 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 1x86 s ALA 56 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1x86 s ALA 56 CO 0.31 -1.05 0.11 -0.51 0.00 0.00 0.00 175.76 174.62 1x86 s LEU 57 N 2.83 3.77 -0.31 0.00 1.43 0.66 -1.68 118.68 125.38 1x86 s LEU 57 Ca 0.31 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1x86 s LEU 57 Cb -0.15 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1x86 s LEU 57 CO 0.10 0.04 0.01 0.26 0.23 0.00 0.00 176.35 176.99 1x86 s TRP 58 N 1.21 3.42 0.74 0.29 0.52 -0.58 -3.01 118.94 121.53 1x86 s TRP 58 Ca 0.06 -2.31 -0.14 0.00 0.02 0.00 0.00 56.10 53.72 1x86 s TRP 58 Cb -0.14 -2.40 0.05 0.00 -1.15 0.00 0.00 33.47 29.83 1x86 s TRP 58 CO 0.05 -0.88 1.16 0.34 0.02 0.00 0.00 176.95 177.64 1x86 s ASP 59 N 1.23 4.29 -0.16 2.95 -1.08 -1.26 -2.97 116.67 119.67 1x86 s ASP 59 Ca -0.01 2.19 0.18 0.00 -0.52 0.00 0.00 52.55 54.38 1x86 s ASP 59 Cb -0.20 -2.57 0.44 0.00 -1.46 0.00 0.00 42.92 39.13 1x86 s ASP 59 CO -0.04 -2.19 1.18 0.35 0.52 0.00 0.00 175.17 174.99 1x86 n THR 60 N -2.92 1.32 -2.53 1.71 -2.24 -1.25 -4.88 114.28 103.48 1x86 n THR 60 Ca 0.12 -2.55 -0.43 0.00 -2.27 0.00 0.00 64.05 58.93 1x86 n THR 60 Cb 0.51 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1x86 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x86 s ALA 61 N -2.24 3.58 0.00 6.98 0.00 -1.26 -2.78 121.76 126.03 1x86 s ALA 61 Ca 0.37 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1x86 s ALA 61 Cb 0.37 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1x86 s ALA 61 CO -0.08 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1x86 n GLY 62 N 3.38 0.63 1.48 0.00 0.00 -1.26 -4.91 105.19 104.51 1x86 n GLY 62 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1x86 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x86 n GLN 63 N -1.89 3.28 0.02 1.61 6.02 -1.12 -4.53 117.38 120.77 1x86 n GLN 63 Ca 0.00 -2.72 -0.05 0.00 -0.01 0.00 0.00 57.00 54.22 1x86 n GLN 63 Cb 0.00 -1.76 0.15 0.00 1.02 0.00 0.00 30.24 29.65 1x86 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1x86 h GLU 64 N 4.09 0.46 -0.37 -1.09 3.07 -1.91 -3.13 114.58 115.71 1x86 h GLU 64 Ca 0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1x86 h GLU 64 Cb 1.25 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1x86 h GLU 64 CO 0.14 0.78 0.00 -0.25 -1.40 0.00 0.00 179.01 178.28 1x86 n ASP 65 N -4.04 3.24 -3.94 1.42 8.00 -1.26 -4.62 116.55 115.35 1x86 n ASP 65 Ca -0.01 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 1x86 n ASP 65 Cb 0.49 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 1x86 n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1x86 s TYR 66 N -1.28 3.52 0.44 1.24 2.02 -1.18 -4.95 117.35 117.16 1x86 s TYR 66 Ca 0.34 -3.26 0.40 0.00 -0.37 0.00 0.00 57.07 54.17 1x86 s TYR 66 Cb 0.20 -2.80 1.98 0.00 -0.40 0.00 0.00 41.96 40.93 1x86 s TYR 66 CO 0.27 -0.61 2.21 -0.44 -1.57 0.00 0.00 175.55 175.41 1x86 h ASP 67 N 5.73 0.00 0.00 2.29 5.19 -1.82 0.19 116.42 128.01 1x86 h ASP 67 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1x86 h ASP 67 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1x86 h ASP 67 CO 0.73 0.01 -1.57 0.54 -3.12 0.00 0.00 179.24 175.82 1x86 n ARG 68 N -3.12 0.49 0.07 3.56 5.12 -1.26 -4.33 116.66 117.18 1x86 n ARG 68 Ca -0.02 -0.12 -0.11 0.00 -1.93 0.00 0.00 57.85 55.68 1x86 n ARG 68 Cb 0.17 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.91 1x86 n ARG 68 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1x86 h LEU 69 N 0.00 -0.21 -0.90 0.55 3.38 -1.57 -3.39 115.31 113.17 1x86 h LEU 69 Ca 0.00 -0.33 0.23 0.00 0.09 0.00 0.00 57.88 57.87 1x86 h LEU 69 Cb 0.77 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 1x86 h LEU 69 CO 0.00 0.31 0.39 -0.09 0.09 0.00 0.00 178.44 179.15 1x86 h ARG 70 N -0.83 0.37 0.00 1.13 2.43 -0.87 0.48 114.38 117.09 1x86 h ARG 70 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1x86 h ARG 70 Cb 0.52 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1x86 h ARG 70 CO 0.04 0.25 0.00 -1.35 -1.51 0.00 0.00 179.97 177.40 1x86 h PRO 71 N 0.38 0.00 0.00 0.20 0.11 -1.76 -1.98 132.00 128.95 1x86 h PRO 71 Ca 0.57 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.62 1x86 h PRO 71 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1x86 h PRO 71 CO -0.54 0.00 -0.26 -0.07 -0.21 0.00 0.00 178.00 176.92 1x86 h LEU 72 N 0.00 0.00 -1.36 2.35 3.38 -0.29 -1.40 115.31 117.99 1x86 h LEU 72 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1x86 h LEU 72 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1x86 h LEU 72 CO 0.00 0.26 0.11 0.28 0.09 0.00 0.00 178.44 179.18 1x86 h SER 73 N 0.00 0.50 0.87 -0.43 0.02 -1.53 -3.33 113.55 109.65 1x86 h SER 73 Ca -0.00 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 1x86 h SER 73 Cb 0.47 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1x86 h SER 73 CO 0.03 0.48 -0.55 1.88 -1.14 0.00 0.00 176.83 177.54 1x86 h TYR 74 N 0.54 0.00 -3.73 3.45 0.05 -1.40 -3.46 116.97 112.42 1x86 h TYR 74 Ca 0.13 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.40 1x86 h TYR 74 Cb 0.17 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.94 1x86 h TYR 74 CO 0.01 0.55 0.51 -2.14 -1.05 0.00 0.00 178.16 176.04 1x86 s PRO 75 N -3.42 4.57 -0.43 4.88 0.02 -1.25 -1.98 135.00 137.39 1x86 s PRO 75 Ca 0.00 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1x86 s PRO 75 Cb 0.11 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1x86 s PRO 75 CO 0.73 0.09 0.00 -0.25 -0.33 0.00 0.00 177.00 177.25 1x86 n ASP 76 N 1.51 -3.68 -4.77 2.53 8.00 -1.26 -5.03 116.55 113.85 1x86 n ASP 76 Ca 0.00 0.10 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 1x86 n ASP 76 Cb 0.44 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.02 1x86 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x86 s THR 77 N -2.09 3.02 0.00 -3.53 2.01 -0.84 -4.67 115.64 109.55 1x86 s THR 77 Ca 0.00 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1x86 s THR 77 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1x86 s THR 77 CO 0.00 -0.14 0.00 0.47 -0.69 0.00 0.00 174.62 174.26 1x86 n ASP 78 N -1.42 2.37 -3.55 3.53 8.00 0.12 -4.95 116.55 120.65 1x86 n ASP 78 Ca 0.12 -0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.25 1x86 n ASP 78 Cb 0.51 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.42 1x86 n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x86 s VAL 79 N -1.35 0.01 -0.07 2.53 0.11 -1.13 -4.36 120.40 116.14 1x86 s VAL 79 Ca 0.00 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1x86 s VAL 79 Cb 0.00 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1x86 s VAL 79 CO 0.00 -0.04 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.03 1x86 s ILE 80 N -1.30 0.81 -0.61 7.04 1.01 -0.87 -2.87 121.20 124.41 1x86 s ILE 80 Ca -0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 1x86 s ILE 80 Cb -0.01 -0.81 0.07 0.00 0.01 0.00 0.00 42.46 41.72 1x86 s ILE 80 CO 0.08 0.30 0.87 -0.76 0.00 0.00 0.00 174.94 175.44 1x86 s LEU 81 N 1.14 4.58 -0.14 2.97 1.43 -0.21 -1.74 118.68 126.71 1x86 s LEU 81 Ca -0.07 -0.94 -0.22 0.00 -1.03 0.00 0.00 54.13 51.88 1x86 s LEU 81 Cb -0.14 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1x86 s LEU 81 CO -0.01 -1.28 0.64 -0.32 0.23 0.00 0.00 176.35 175.61 1x86 s MET 82 N 3.63 4.32 0.26 1.70 1.75 -1.18 -1.98 119.30 127.80 1x86 s MET 82 Ca 0.21 0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 55.33 1x86 s MET 82 Cb -0.18 -3.51 -0.02 0.00 2.84 0.00 0.00 34.83 33.96 1x86 s MET 82 CO 0.11 -0.08 0.31 0.00 -0.65 0.00 0.00 175.02 174.72 1x86 s PHE 84 N -3.79 -0.60 -0.15 0.00 -0.71 -0.92 -4.01 117.98 107.81 1x86 s PHE 84 Ca 0.33 1.31 -0.29 0.00 -1.04 0.00 0.00 56.93 57.24 1x86 s PHE 84 Cb 0.03 0.26 -0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1x86 s PHE 84 CO 0.15 -0.40 1.01 0.45 -1.34 0.00 0.00 175.22 175.09 1x86 s SER 85 N -0.30 7.19 0.00 1.98 0.15 -1.26 -1.39 113.70 120.07 1x86 s SER 85 Ca -0.05 1.47 0.07 0.00 0.70 0.00 0.00 55.95 58.14 1x86 s SER 85 Cb -0.03 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.05 1x86 s SER 85 CO 0.04 -0.52 1.17 -0.38 1.20 0.00 0.00 173.24 174.75 1x86 n ILE 86 N 4.81 1.29 -0.29 6.45 2.08 -0.33 0.16 119.36 133.53 1x86 n ILE 86 Ca 0.10 0.32 0.07 0.00 0.56 0.00 0.00 62.75 63.80 1x86 n ILE 86 Cb 0.48 -1.20 0.19 0.00 -0.75 0.00 0.00 39.64 38.35 1x86 n ILE 86 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1x86 n ASP 87 N -1.42 3.20 -3.50 4.38 5.68 -1.26 -1.33 116.55 122.30 1x86 n ASP 87 Ca 0.02 -2.11 -0.28 0.00 -0.50 0.00 0.00 54.79 51.92 1x86 n ASP 87 Cb 0.07 -0.30 -0.12 0.00 -1.14 0.00 0.00 41.12 39.63 1x86 n ASP 87 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x86 s SER 88 N -1.08 2.67 0.00 -1.12 0.15 0.12 -4.87 113.70 109.57 1x86 s SER 88 Ca 0.29 -2.61 0.15 0.00 0.70 0.00 0.00 55.95 54.48 1x86 s SER 88 Cb 0.16 -0.57 0.69 0.00 -1.71 0.00 0.00 66.02 64.59 1x86 s SER 88 CO 0.17 -0.25 1.48 -0.81 1.20 0.00 0.00 173.24 175.03 1x86 n PRO 89 N 3.49 0.06 0.05 5.44 -0.04 -1.26 -0.25 135.00 142.47 1x86 n PRO 89 Ca 0.17 0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.80 1x86 n PRO 89 Cb 0.40 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.53 1x86 n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x86 h ASP 90 N 0.00 0.41 0.37 3.54 3.32 -1.92 -2.55 116.42 119.60 1x86 h ASP 90 Ca 0.00 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1x86 h ASP 90 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1x86 h ASP 90 CO 0.00 0.78 -0.46 0.77 -1.72 0.00 0.00 179.24 178.61 1x86 h SER 91 N 0.33 0.12 -0.49 6.45 4.64 -0.94 -2.77 113.55 120.88 1x86 h SER 91 Ca 0.03 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1x86 h SER 91 Cb 0.86 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1x86 h SER 91 CO 0.07 0.56 -0.15 0.25 -0.87 0.00 0.00 176.83 176.69 1x86 h LEU 92 N 0.09 0.97 0.00 5.97 5.85 -1.25 -3.16 115.31 123.78 1x86 h LEU 92 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1x86 h LEU 92 Cb 0.85 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1x86 h LEU 92 CO 0.06 1.12 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.84 1x86 h GLU 93 N 0.81 0.00 0.00 1.25 5.08 -1.41 -1.81 114.58 118.50 1x86 h GLU 93 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1x86 h GLU 93 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1x86 h GLU 93 CO 0.05 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.15 1x86 h ASN 94 N 0.00 0.00 -0.04 1.42 2.35 -1.45 -3.17 115.58 114.69 1x86 h ASN 94 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1x86 h ASN 94 Cb 0.90 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1x86 h ASN 94 CO 0.00 0.00 -0.03 0.40 -1.65 0.00 0.00 177.43 176.15 1x86 h ILE 95 N 0.00 1.36 0.00 2.81 1.08 -1.36 -0.96 117.51 120.44 1x86 h ILE 95 Ca 0.00 -1.13 -0.19 0.00 -0.39 0.00 0.00 64.86 63.14 1x86 h ILE 95 Cb 0.15 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 1x86 h ILE 95 CO 0.00 0.31 -0.92 -0.65 -0.69 0.00 0.00 178.15 176.20 1x86 h PRO 96 N -0.33 0.00 -0.33 2.37 0.11 -1.75 -2.10 132.00 129.97 1x86 h PRO 96 Ca 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1x86 h PRO 96 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1x86 h PRO 96 CO 0.01 0.90 0.14 1.49 -0.21 0.00 0.00 178.00 180.33 1x86 h GLU 97 N 0.00 0.50 0.00 1.05 4.57 -1.55 -3.41 114.58 115.74 1x86 h GLU 97 Ca -0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1x86 h GLU 97 Cb 1.70 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 1x86 h GLU 97 CO 0.12 0.49 -0.76 1.17 -1.18 0.00 0.00 179.01 178.85 1x86 n LYS 98 N -4.71 0.00 -0.06 1.92 4.81 -0.37 -4.79 118.16 114.96 1x86 n LYS 98 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 1x86 n LYS 98 Cb 0.13 -0.63 -0.13 0.00 0.02 0.00 0.00 35.03 34.43 1x86 n LYS 98 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1x86 n TRP 99 N -2.57 0.76 -0.13 5.64 7.02 -1.17 -3.57 117.44 123.42 1x86 n TRP 99 Ca 0.00 0.19 -0.08 0.00 -1.02 0.00 0.00 57.50 56.59 1x86 n TRP 99 Cb 0.38 -1.09 -0.00 0.00 -2.42 0.00 0.00 31.31 28.17 1x86 n TRP 99 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1x86 h THR 100 N -0.19 1.12 -0.37 -0.99 2.02 -1.66 0.39 112.91 113.23 1x86 h THR 100 Ca -0.48 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 66.50 1x86 h THR 100 Cb 1.86 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.79 1x86 h THR 100 CO -0.05 0.12 0.02 -0.65 0.37 0.00 0.00 175.52 175.33 1x86 h PRO 101 N 0.53 0.12 0.69 6.66 0.11 -1.79 0.19 132.00 138.51 1x86 h PRO 101 Ca 0.14 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1x86 h PRO 101 Cb -0.02 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.07 1x86 h PRO 101 CO -0.03 0.08 -0.33 1.49 -0.21 0.00 0.00 178.00 179.00 1x86 h GLU 102 N 0.13 -0.90 -0.86 1.05 4.81 -1.55 -1.57 114.58 115.69 1x86 h GLU 102 Ca 0.18 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.67 1x86 h GLU 102 Cb 0.24 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1x86 h GLU 102 CO -0.28 -0.60 0.57 0.28 -0.73 0.00 0.00 179.01 178.25 1x86 h VAL 103 N -1.02 0.69 0.00 0.32 2.07 -0.12 0.69 116.25 118.89 1x86 h VAL 103 Ca -0.10 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1x86 h VAL 103 Cb 0.72 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1x86 h VAL 103 CO 0.16 0.07 -0.59 0.11 0.02 0.00 0.00 177.57 177.33 1x86 h LYS 104 N 0.36 0.00 0.02 1.57 1.57 -0.59 -2.12 116.57 117.38 1x86 h LYS 104 Ca 0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1x86 h LYS 104 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x86 h LYS 104 CO -0.14 0.38 -0.01 1.25 -0.57 0.00 0.00 179.45 180.36 1x86 h HIS 105 N 0.00 -0.03 0.00 -1.35 2.76 0.13 -3.33 115.15 113.33 1x86 h HIS 105 Ca -0.03 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1x86 h HIS 105 Cb 1.34 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.31 1x86 h HIS 105 CO 0.00 -0.02 -0.14 0.74 -1.30 0.00 0.00 177.93 177.21 1x86 h PHE 106 N -0.06 0.00 -2.45 5.26 0.04 -0.65 -3.32 116.94 115.76 1x86 h PHE 106 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.17 1x86 h PHE 106 Cb 0.02 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 37.77 1x86 h PHE 106 CO 0.09 0.14 -0.85 0.00 -0.60 0.00 0.00 178.31 177.09 1x86 s PRO 108 N -0.92 4.29 -0.65 0.00 0.04 -1.25 -3.10 135.00 133.41 1x86 s PRO 108 Ca 0.32 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1x86 s PRO 108 Cb 0.06 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1x86 s PRO 108 CO -0.15 0.11 0.00 0.09 0.04 0.00 0.00 177.00 177.09 1x86 n ASN 109 N 3.91 -3.14 -4.61 6.66 3.02 -1.26 -5.03 115.26 114.80 1x86 n ASN 109 Ca -0.08 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1x86 n ASN 109 Cb 0.51 -1.95 -0.09 0.00 -0.61 0.00 0.00 39.78 37.64 1x86 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x86 s VAL 110 N -2.31 5.21 0.19 2.41 1.01 -1.18 -5.02 120.40 120.71 1x86 s VAL 110 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 1x86 s VAL 110 Cb 0.00 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1x86 s VAL 110 CO 0.00 0.20 1.51 -2.16 0.00 0.00 0.00 175.10 174.65 1x86 s PRO 111 N 1.86 4.24 0.42 2.72 0.04 -1.26 -4.81 135.00 138.20 1x86 s PRO 111 Ca 0.13 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1x86 s PRO 111 Cb -0.16 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1x86 s PRO 111 CO 0.09 -0.54 0.63 0.42 0.04 0.00 0.00 177.00 177.64 1x86 s ILE 112 N 0.77 4.27 -0.33 0.56 1.01 -1.26 -2.04 121.20 124.18 1x86 s ILE 112 Ca 0.66 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1x86 s ILE 112 Cb -0.43 -3.57 0.13 0.00 0.01 0.00 0.00 42.46 38.61 1x86 s ILE 112 CO 0.35 -0.38 0.19 -0.63 0.00 0.00 0.00 174.94 174.47 1x86 s ILE 113 N -2.47 0.08 0.61 2.92 -1.09 -0.71 -1.19 121.20 119.35 1x86 s ILE 113 Ca 0.46 -1.45 -0.18 0.00 -2.23 0.00 0.00 60.65 57.25 1x86 s ILE 113 Cb -0.10 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.66 1x86 s ILE 113 CO 0.37 -0.92 0.99 -0.11 -1.23 0.00 0.00 174.94 174.04 1x86 n LEU 114 N 4.37 3.93 -3.60 2.97 7.94 -0.87 -3.10 117.00 128.65 1x86 n LEU 114 Ca 0.07 0.80 -0.14 0.00 -1.11 0.00 0.00 56.01 55.64 1x86 n LEU 114 Cb 0.38 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 1x86 n LEU 114 CO 0.11 -1.79 -0.13 -0.69 -1.11 0.00 0.00 177.39 173.78 1x86 s VAL 115 N -1.51 -0.43 -0.72 1.96 1.01 -0.84 -2.85 120.40 117.02 1x86 s VAL 115 Ca 0.77 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 1x86 s VAL 115 Cb -0.41 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1x86 s VAL 115 CO 0.46 0.03 1.38 -0.83 0.00 0.00 0.00 175.10 176.14 1x86 s GLY 116 N 2.42 0.77 0.77 4.51 0.00 0.50 -2.16 107.32 114.13 1x86 s GLY 116 Ca 0.03 -1.24 -0.09 0.00 0.00 0.00 0.00 44.72 43.42 1x86 s GLY 116 CO -0.10 2.78 1.11 0.21 0.00 0.00 0.00 173.10 177.10 1x86 s ASN 117 N 4.47 4.52 -1.83 1.64 3.04 -0.49 -0.94 114.94 125.35 1x86 s ASN 117 Ca 0.41 0.55 0.00 0.00 0.04 0.00 0.00 52.86 53.85 1x86 s ASN 117 Cb -0.09 -1.07 0.00 0.00 -1.54 0.00 0.00 41.25 38.55 1x86 s ASN 117 CO 0.16 -1.84 0.00 0.29 -3.04 0.00 0.00 177.10 172.68 1x86 n LYS 118 N -3.16 -1.27 -0.33 0.43 5.02 -0.82 -1.18 118.16 116.85 1x86 n LYS 118 Ca 0.09 1.11 0.26 0.00 -2.02 0.00 0.00 58.31 57.75 1x86 n LYS 118 Cb 0.61 -5.37 0.50 0.00 -0.02 0.00 0.00 35.03 30.74 1x86 n LYS 118 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1x86 h LYS 119 N 0.01 0.13 0.00 1.97 2.10 -1.64 0.03 116.57 119.16 1x86 h LYS 119 Ca -0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1x86 h LYS 119 Cb 1.16 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1x86 h LYS 119 CO 0.52 0.09 0.00 -0.40 -2.00 0.00 0.00 179.45 177.66 1x86 n ASP 120 N -5.20 0.00 -0.28 7.07 5.68 -1.26 -0.08 116.55 122.47 1x86 n ASP 120 Ca 0.33 -0.61 0.03 0.00 -0.50 0.00 0.00 54.79 54.04 1x86 n ASP 120 Cb 1.09 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 41.11 1x86 n ASP 120 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1x86 n LEU 121 N -0.72 1.85 0.31 -2.12 4.77 -0.00 -4.47 117.00 116.61 1x86 n LEU 121 Ca 0.04 -1.33 0.21 0.00 -0.03 0.00 0.00 56.01 54.90 1x86 n LEU 121 Cb 0.02 -0.04 1.07 0.00 -2.33 0.00 0.00 43.42 42.14 1x86 n LEU 121 CO 0.03 0.42 1.12 -0.09 -1.33 0.00 0.00 177.39 177.54 1x86 h ARG 122 N 1.19 0.00 -0.19 3.23 2.43 -0.63 -2.68 114.38 117.74 1x86 h ARG 122 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1x86 h ARG 122 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1x86 h ARG 122 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 1x86 n ASN 123 N -2.97 2.73 -4.76 -3.80 3.02 -1.26 -4.90 115.26 103.32 1x86 n ASN 123 Ca -0.02 -2.30 -0.41 0.00 -0.03 0.00 0.00 54.58 51.83 1x86 n ASN 123 Cb 0.10 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1x86 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x86 s ASP 124 N -1.37 6.95 0.08 6.41 3.68 -1.01 -4.93 116.67 126.48 1x86 s ASP 124 Ca 0.20 2.53 -0.26 0.00 2.13 0.00 0.00 52.55 57.16 1x86 s ASP 124 Cb 0.14 -2.64 -0.16 0.00 -1.45 0.00 0.00 42.92 38.81 1x86 s ASP 124 CO 0.08 -0.39 1.69 -0.08 0.13 0.00 0.00 175.17 176.60 1x86 h GLU 125 N 3.59 -0.23 0.43 4.34 4.57 -1.97 -1.59 114.58 123.72 1x86 h GLU 125 Ca -0.48 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1x86 h GLU 125 Cb 1.22 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1x86 h GLU 125 CO 0.66 -0.14 -0.36 1.25 -1.18 0.00 0.00 179.01 179.24 1x86 h HIS 126 N -0.25 -0.99 -0.17 0.92 2.76 -1.98 -2.93 115.15 112.51 1x86 h HIS 126 Ca -0.02 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1x86 h HIS 126 Cb 0.19 0.38 -0.07 0.00 1.55 0.00 0.00 27.41 29.46 1x86 h HIS 126 CO -0.06 -0.50 -0.31 1.15 -1.30 0.00 0.00 177.93 176.92 1x86 h THR 127 N -0.77 0.30 -0.98 6.26 2.02 -1.89 0.89 112.91 118.75 1x86 h THR 127 Ca -0.06 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.39 1x86 h THR 127 Cb 0.65 0.30 -0.18 0.00 -1.74 0.00 0.00 68.15 67.18 1x86 h THR 127 CO -0.01 0.00 0.04 0.03 0.37 0.00 0.00 175.52 175.95 1x86 h ARG 128 N -0.36 0.02 0.00 6.66 2.47 -1.36 -2.58 114.38 119.22 1x86 h ARG 128 Ca 0.11 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1x86 h ARG 128 Cb 0.53 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1x86 h ARG 128 CO -0.37 0.01 -1.22 -2.13 0.56 0.00 0.00 179.97 176.82 1x86 n ARG 129 N -5.48 0.48 -0.01 0.04 0.63 0.28 -1.09 116.66 111.51 1x86 n ARG 129 Ca 0.23 -0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 57.00 1x86 n ARG 129 Cb 0.76 -1.66 -0.12 0.00 0.45 0.00 0.00 32.46 31.89 1x86 n ARG 129 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x86 h GLU 130 N 0.00 0.25 -0.74 -0.14 4.39 -0.70 -3.27 114.58 114.37 1x86 h GLU 130 Ca 0.00 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1x86 h GLU 130 Cb 0.88 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 1x86 h GLU 130 CO 0.00 1.02 0.49 -0.07 -1.16 0.00 0.00 179.01 179.28 1x86 h LEU 131 N -0.39 0.74 -0.99 1.33 3.38 -1.46 -1.73 115.31 116.19 1x86 h LEU 131 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1x86 h LEU 131 Cb 1.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1x86 h LEU 131 CO 0.08 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1x86 h ALA 132 N 1.58 1.00 0.00 1.53 0.00 -1.15 0.69 119.26 122.92 1x86 h ALA 132 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1x86 h ALA 132 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x86 h ALA 132 CO -0.09 0.00 -0.31 0.87 0.00 0.00 0.00 179.25 179.72 1x86 h LYS 133 N 0.00 0.00 -0.48 0.00 1.57 -1.36 -3.22 116.57 113.08 1x86 h LYS 133 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x86 h LYS 133 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1x86 h LYS 133 CO 0.00 0.31 0.00 -1.33 -0.57 0.00 0.00 179.45 177.86 1x86 n MET 134 N -4.00 3.68 0.00 3.15 2.81 0.24 -4.92 117.12 118.08 1x86 n MET 134 Ca -0.02 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 53.03 1x86 n MET 134 Cb 0.37 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 1x86 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x86 n LYS 135 N 0.43 0.00 -1.81 0.03 4.76 -1.08 -4.98 118.16 115.51 1x86 n LYS 135 Ca 0.23 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.38 1x86 n LYS 135 Cb 0.91 -2.19 0.11 0.00 -1.84 0.00 0.00 35.03 32.02 1x86 n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x86 s GLN 136 N 0.00 1.66 0.14 1.97 -0.21 -1.02 -4.91 119.66 117.29 1x86 s GLN 136 Ca 0.00 0.12 -0.18 0.00 0.02 0.00 0.00 55.36 55.32 1x86 s GLN 136 Cb 0.00 -1.91 0.05 0.00 1.00 0.00 0.00 33.01 32.14 1x86 s GLN 136 CO 0.00 -1.81 0.47 -1.83 -2.12 0.00 0.00 175.29 170.00 1x86 s GLU 137 N -5.52 1.15 0.99 2.91 -1.05 -1.26 -3.50 118.70 112.42 1x86 s GLU 137 Ca 0.63 -0.64 -0.11 0.00 -0.15 0.00 0.00 54.97 54.70 1x86 s GLU 137 Cb -0.12 0.51 0.19 0.00 -0.44 0.00 0.00 34.13 34.27 1x86 s GLU 137 CO 0.50 -0.47 1.11 -2.14 0.95 0.00 0.00 175.26 175.21 1x86 s PRO 138 N -3.79 0.43 -0.03 -4.83 0.02 -1.26 -4.66 135.00 120.87 1x86 s PRO 138 Ca 0.03 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 1x86 s PRO 138 Cb 0.01 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.81 1x86 s PRO 138 CO -0.12 -2.97 1.25 0.08 -0.33 0.00 0.00 177.00 174.92 1x86 s VAL 139 N -2.59 4.08 0.18 3.83 1.01 -0.44 -5.00 120.40 121.47 1x86 s VAL 139 Ca 0.67 1.43 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 1x86 s VAL 139 Cb -0.23 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 1x86 s VAL 139 CO 0.60 0.01 0.87 -0.54 0.00 0.00 0.00 175.10 176.04 1x86 s LYS 140 N 2.13 4.71 0.66 2.72 -0.14 -1.26 -4.91 119.74 123.65 1x86 s LYS 140 Ca 0.58 1.34 0.26 0.00 -1.36 0.00 0.00 55.97 56.79 1x86 s LYS 140 Cb -0.27 -3.29 1.43 0.00 -1.68 0.00 0.00 37.83 34.02 1x86 s LYS 140 CO 0.24 0.48 1.81 -1.35 -0.76 0.00 0.00 175.35 175.77 1x86 h PRO 141 N 4.52 0.00 0.27 -1.68 0.11 -1.99 -1.46 132.00 131.77 1x86 h PRO 141 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1x86 h PRO 141 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1x86 h PRO 141 CO 0.68 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.27 1x86 h GLU 142 N 0.00 -0.35 -0.48 1.05 3.07 -1.99 -2.82 114.58 113.06 1x86 h GLU 142 Ca 0.02 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 1x86 h GLU 142 Cb 0.87 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.77 1x86 h GLU 142 CO -0.00 -0.23 -0.14 0.39 -1.40 0.00 0.00 179.01 177.62 1x86 n GLU 143 N -4.03 -0.07 -0.22 2.33 1.02 -0.63 0.10 120.64 119.15 1x86 n GLU 143 Ca -0.05 0.74 -0.05 0.00 -0.02 0.00 0.00 57.16 57.78 1x86 n GLU 143 Cb 0.14 -1.10 0.05 0.00 -0.02 0.00 0.00 31.44 30.51 1x86 n GLU 143 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x86 h GLY 144 N 0.00 0.88 1.01 0.62 0.00 -1.41 -0.64 103.07 103.54 1x86 h GLY 144 Ca 0.21 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1x86 h GLY 144 CO -0.48 0.29 -0.38 -0.09 0.00 0.00 0.00 176.54 175.88 1x86 h ARG 145 N 0.81 0.74 -0.04 4.80 2.43 0.94 -2.57 114.38 121.50 1x86 h ARG 145 Ca 0.24 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1x86 h ARG 145 Cb -0.05 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1x86 h ARG 145 CO -0.07 1.05 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.89 1x86 h ASP 146 N 0.49 0.05 -0.28 -3.80 5.19 -0.34 0.14 116.42 117.88 1x86 h ASP 146 Ca 0.03 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 1x86 h ASP 146 Cb 0.96 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1x86 h ASP 146 CO 0.09 0.18 -0.14 -0.03 -3.12 0.00 0.00 179.24 176.22 1x86 h MET 147 N 0.06 0.58 0.00 3.56 4.05 -1.02 -1.97 114.93 120.19 1x86 h MET 147 Ca 0.01 -0.25 -0.09 0.00 -0.28 0.00 0.00 59.70 59.09 1x86 h MET 147 Cb 0.24 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1x86 h MET 147 CO 0.02 0.82 -0.41 0.00 0.23 0.00 0.00 176.91 177.57 1x86 h ALA 148 N 0.74 0.98 0.10 0.39 0.00 -0.42 0.17 119.26 121.22 1x86 h ALA 148 Ca 0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 1x86 h ALA 148 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1x86 h ALA 148 CO 0.04 0.51 -1.30 -0.91 0.00 0.00 0.00 179.25 177.59 1x86 h ASN 149 N 0.00 0.33 -0.08 0.00 2.35 -0.99 0.35 115.58 117.54 1x86 h ASN 149 Ca -0.00 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1x86 h ASN 149 Cb 0.94 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1x86 h ASN 149 CO 0.05 1.31 0.01 -0.09 -1.65 0.00 0.00 177.43 177.07 1x86 h ARG 150 N 0.06 0.13 0.00 0.81 2.43 -1.01 -3.01 114.38 113.80 1x86 h ARG 150 Ca -0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1x86 h ARG 150 Cb 1.96 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1x86 h ARG 150 CO 0.18 0.34 0.00 0.44 -1.51 0.00 0.00 179.97 179.42 1x86 n ILE 151 N -4.88 0.00 -2.29 1.20 -5.35 0.56 -4.83 119.36 103.77 1x86 n ILE 151 Ca -0.06 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.34 1x86 n ILE 151 Cb 0.16 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 1x86 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x86 n GLY 152 N 0.58 0.10 3.66 3.28 0.00 -1.14 -5.01 105.19 106.67 1x86 n GLY 152 Ca 0.13 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1x86 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 153 N -2.53 0.86 -1.88 4.61 0.00 0.12 -4.72 121.76 118.22 1x86 s ALA 153 Ca 0.04 -0.46 0.26 0.00 0.00 0.00 0.00 51.96 51.81 1x86 s ALA 153 Cb -0.02 -3.08 0.71 0.00 0.00 0.00 0.00 23.12 20.73 1x86 s ALA 153 CO 0.05 -2.97 1.54 0.34 0.00 0.00 0.00 175.76 174.72 1x86 n PHE 154 N -4.27 0.00 0.00 0.00 -0.00 -0.33 -4.86 117.46 108.00 1x86 n PHE 154 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1x86 n PHE 154 Cb 0.58 -0.09 0.00 0.00 -0.00 0.00 0.00 39.48 39.96 1x86 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1x86 n GLY 155 N 1.33 2.83 3.61 7.13 0.00 -1.26 -5.02 105.19 113.81 1x86 n GLY 155 Ca 0.13 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1x86 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x86 s TYR 156 N -2.00 2.49 -0.29 1.61 5.04 -1.26 -2.05 117.35 120.89 1x86 s TYR 156 Ca 0.00 -0.54 -0.16 0.00 -2.44 0.00 0.00 57.07 53.93 1x86 s TYR 156 Cb 0.00 -1.58 0.18 0.00 0.35 0.00 0.00 41.96 40.91 1x86 s TYR 156 CO 0.00 0.48 1.15 1.41 -1.34 0.00 0.00 175.55 177.25 1x86 s MET 157 N -3.69 0.18 0.32 4.97 1.75 -1.13 -4.95 119.30 116.74 1x86 s MET 157 Ca 0.35 0.31 0.09 0.00 -1.25 0.00 0.00 55.69 55.19 1x86 s MET 157 Cb 0.04 0.04 -0.05 0.00 2.84 0.00 0.00 34.83 37.70 1x86 s MET 157 CO 0.18 -0.04 0.02 -1.21 -0.65 0.00 0.00 175.02 173.32 1x86 s GLU 158 N 1.16 2.16 -0.14 4.11 2.02 -1.26 -0.37 118.70 126.38 1x86 s GLU 158 Ca -0.08 -1.63 -0.30 0.00 0.02 0.00 0.00 54.97 52.97 1x86 s GLU 158 Cb -0.03 -2.02 0.12 0.00 0.10 0.00 0.00 34.13 32.31 1x86 s GLU 158 CO -0.12 0.20 0.99 0.00 0.02 0.00 0.00 175.26 176.36 1x86 s SER 160 N -1.36 7.32 -0.02 0.00 0.01 -0.53 -1.95 113.70 117.18 1x86 s SER 160 Ca -0.00 1.95 -0.23 0.00 1.31 0.00 0.00 55.95 58.98 1x86 s SER 160 Cb -0.01 -2.59 -0.16 0.00 0.21 0.00 0.00 66.02 63.48 1x86 s SER 160 CO -0.00 -0.22 1.06 0.00 0.41 0.00 0.00 173.24 174.49 1x86 h ALA 161 N 5.66 -0.37 0.00 1.44 0.00 -1.90 -3.36 119.26 120.73 1x86 h ALA 161 Ca -0.43 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1x86 h ALA 161 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x86 h ALA 161 CO 0.74 -0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.14 1x86 n LYS 162 N -5.07 0.77 0.00 0.00 5.02 -1.26 -4.84 118.16 112.78 1x86 n LYS 162 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1x86 n LYS 162 Cb 0.26 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1x86 n LYS 162 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1x86 n THR 163 N -0.80 0.00 1.43 -0.18 -2.24 -1.26 -5.05 114.28 106.19 1x86 n THR 163 Ca 0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1x86 n THR 163 Cb 0.05 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.64 1x86 n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1x86 n LYS 164 N 0.00 1.50 -2.36 -0.78 4.81 -1.26 -4.73 118.16 115.34 1x86 n LYS 164 Ca 0.00 -0.75 -0.42 0.00 -0.87 0.00 0.00 58.31 56.26 1x86 n LYS 164 Cb 0.00 -1.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 1x86 n LYS 164 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1x86 s ASP 165 N -1.44 6.96 -0.99 3.14 3.68 -1.26 -2.79 116.67 123.97 1x86 s ASP 165 Ca 0.27 1.92 -0.01 0.00 2.13 0.00 0.00 52.55 56.87 1x86 s ASP 165 Cb 0.14 -2.56 0.01 0.00 -1.45 0.00 0.00 42.92 39.06 1x86 s ASP 165 CO 0.21 -0.65 0.05 0.61 0.13 0.00 0.00 175.17 175.53 1x86 n GLY 166 N 3.50 -0.50 0.14 2.66 0.00 -1.26 -1.45 105.19 108.28 1x86 n GLY 166 Ca 0.12 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1x86 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x86 h VAL 167 N -0.10 0.97 -0.82 1.61 2.07 -1.84 -3.27 116.25 114.86 1x86 h VAL 167 Ca -0.28 -2.52 0.12 0.00 0.82 0.00 0.00 66.70 64.84 1x86 h VAL 167 Cb 1.21 2.78 -0.08 0.00 -1.52 0.00 0.00 31.29 33.68 1x86 h VAL 167 CO 0.34 0.85 0.43 -0.09 0.02 0.00 0.00 177.57 179.12 1x86 h ARG 168 N 0.08 0.66 -0.12 1.57 9.65 -1.89 -2.79 114.38 121.53 1x86 h ARG 168 Ca -0.34 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.43 1x86 h ARG 168 Cb 2.08 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 30.50 1x86 h ARG 168 CO 0.18 0.43 -0.24 0.93 2.80 0.00 0.00 179.97 184.07 1x86 h GLU 169 N 0.68 0.21 0.34 0.20 3.07 -1.95 -0.77 114.58 116.35 1x86 h GLU 169 Ca 0.42 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1x86 h GLU 169 Cb 0.51 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1x86 h GLU 169 CO -0.31 0.45 -0.30 0.28 -1.40 0.00 0.00 179.01 177.73 1x86 h VAL 170 N 0.19 0.37 0.00 3.13 2.07 -1.55 -2.80 116.25 117.66 1x86 h VAL 170 Ca 0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1x86 h VAL 170 Cb 0.54 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1x86 h VAL 170 CO 0.04 0.00 -0.42 -0.26 0.02 0.00 0.00 177.57 176.94 1x86 h PHE 171 N -0.66 0.00 -0.94 1.57 0.04 -1.18 -1.18 116.94 114.59 1x86 h PHE 171 Ca -0.02 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1x86 h PHE 171 Cb 0.59 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 1x86 h PHE 171 CO -0.17 0.42 0.62 0.93 -0.60 0.00 0.00 178.31 179.52 1x86 h GLU 172 N 0.00 1.22 0.05 1.51 5.08 -1.16 0.21 114.58 121.49 1x86 h GLU 172 Ca -0.00 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.02 1x86 h GLU 172 Cb 0.82 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1x86 h GLU 172 CO 0.06 0.81 -1.09 1.98 -1.00 0.00 0.00 179.01 179.77 1x86 h MET 173 N 1.26 0.51 -0.33 2.33 4.05 -1.06 -1.06 114.93 120.64 1x86 h MET 173 Ca 0.35 -0.62 -0.12 0.00 -0.28 0.00 0.00 59.70 59.03 1x86 h MET 173 Cb -0.12 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1x86 h MET 173 CO -0.08 1.24 -0.27 0.00 0.23 0.00 0.00 176.91 178.03 1x86 h ALA 174 N 0.53 0.47 -0.45 0.39 0.00 -1.06 -1.52 119.26 117.63 1x86 h ALA 174 Ca -0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1x86 h ALA 174 Cb 1.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1x86 h ALA 174 CO 0.20 0.47 0.21 1.15 0.00 0.00 0.00 179.25 181.28 1x86 h THR 175 N 0.52 1.15 -0.34 0.00 2.02 -0.94 0.12 112.91 115.44 1x86 h THR 175 Ca 0.06 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1x86 h THR 175 Cb 0.83 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1x86 h THR 175 CO 0.07 0.18 0.06 0.03 0.37 0.00 0.00 175.52 176.23 1x86 h ARG 176 N 0.62 0.56 0.60 6.66 3.08 -0.91 -2.83 114.38 122.16 1x86 h ARG 176 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1x86 h ARG 176 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1x86 h ARG 176 CO -0.02 0.63 -0.32 0.00 -1.07 0.00 0.00 179.97 179.19 1x86 h ALA 177 N 0.90 -1.20 -1.07 0.04 0.00 -0.46 -2.46 119.26 115.01 1x86 h ALA 177 Ca 0.10 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.14 1x86 h ALA 177 Cb 0.34 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1x86 h ALA 177 CO 0.01 -1.15 1.07 0.00 0.00 0.00 0.00 179.25 179.18 1x86 h ALA 178 N -1.51 2.96 -0.17 0.00 0.00 -0.85 0.12 119.26 119.80 1x86 h ALA 178 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x86 h ALA 178 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x86 h ALA 178 CO 0.11 -1.62 0.00 1.28 0.00 0.00 0.00 179.25 179.02 1x86 n LEU 179 N -3.52 1.98 -0.04 0.00 4.77 -0.93 -4.56 117.00 114.70 1x86 n LEU 179 Ca 0.24 -1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.13 1x86 n LEU 179 Cb 1.41 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1x86 n LEU 179 CO 0.29 0.33 -0.79 0.00 -1.33 0.00 0.00 177.39 175.89 1x86 n GLN 180 N 0.15 0.18 -0.63 3.23 6.02 0.40 -5.08 117.38 121.66 1x86 n GLN 180 Ca 0.07 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1x86 n GLN 180 Cb 0.42 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1x86 n GLN 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05