#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o94 s LYS 2 N 0.00 2.65 -0.17 0.00 1.02 -1.26 -2.48 119.74 119.49 1o94 s LYS 2 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 1o94 s LYS 2 Cb 0.00 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1o94 s LYS 2 CO 0.00 0.61 -0.06 0.42 -0.92 0.00 0.00 175.35 175.40 1o94 s ILE 3 N -1.06 3.54 -0.29 2.17 1.01 0.11 -1.85 121.20 124.83 1o94 s ILE 3 Ca 0.19 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1o94 s ILE 3 Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1o94 s ILE 3 CO 0.10 0.48 0.18 -0.22 0.00 0.00 0.00 174.94 175.47 1o94 s LEU 4 N 0.69 4.01 -0.15 2.97 2.96 -0.72 -0.54 118.68 127.90 1o94 s LEU 4 Ca -0.03 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1o94 s LEU 4 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1o94 s LEU 4 CO 0.02 -0.08 0.01 -0.69 -1.32 0.00 0.00 176.35 174.29 1o94 s VAL 5 N 1.72 4.31 -0.42 1.68 1.01 0.95 -0.35 120.40 129.30 1o94 s VAL 5 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1o94 s VAL 5 Cb -0.16 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1o94 s VAL 5 CO 0.10 0.51 0.35 -0.63 0.00 0.00 0.00 175.10 175.43 1o94 s ILE 6 N 0.07 5.20 1.00 2.22 -1.09 -0.48 -0.83 121.20 127.29 1o94 s ILE 6 Ca 0.02 -0.58 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 1o94 s ILE 6 Cb -0.13 -3.98 0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1o94 s ILE 6 CO 0.02 -0.37 1.11 0.00 -1.23 0.00 0.00 174.94 174.47 1o94 s ALA 7 N 1.84 1.07 -0.02 9.38 0.00 0.59 -4.44 121.76 130.17 1o94 s ALA 7 Ca 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1o94 s ALA 7 Cb -0.19 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1o94 s ALA 7 CO 0.11 -2.81 0.06 -2.00 0.00 0.00 0.00 175.76 171.11 1o94 s GLU 8 N -5.08 0.04 0.07 0.00 2.12 -1.26 -4.75 118.70 109.84 1o94 s GLU 8 Ca 0.66 0.14 -0.05 0.00 0.36 0.00 0.00 54.97 56.07 1o94 s GLU 8 Cb -0.17 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.14 1o94 s GLU 8 CO 0.57 -0.07 0.09 -3.38 -0.54 0.00 0.00 175.26 171.93 1o94 s HIS 9 N 0.42 0.33 -0.27 5.30 -3.43 -1.26 -1.24 115.29 115.14 1o94 s HIS 9 Ca -0.03 -0.82 -0.21 0.00 -0.80 0.00 0.00 55.06 53.20 1o94 s HIS 9 Cb -0.05 -0.21 0.07 0.00 -1.43 0.00 0.00 32.58 30.96 1o94 s HIS 9 CO -0.01 -0.48 0.70 0.50 -2.00 0.00 0.00 174.74 173.45 1o94 s ARG 10 N -3.89 0.78 -1.60 -0.38 3.52 -0.53 -4.69 118.95 112.16 1o94 s ARG 10 Ca 0.07 1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 56.58 1o94 s ARG 10 Cb 0.06 0.31 0.11 0.00 -1.56 0.00 0.00 34.95 33.87 1o94 s ARG 10 CO -0.10 -0.12 0.87 0.54 -0.81 0.00 0.00 175.30 175.69 1o94 n ARG 11 N 3.29 -4.41 -0.18 5.12 1.74 -1.26 -1.46 116.66 119.49 1o94 n ARG 11 Ca -0.16 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1o94 n ARG 11 Cb 0.56 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1o94 n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o94 n ASN 12 N -2.77 0.00 -4.27 0.55 3.02 -1.26 -5.04 115.26 105.49 1o94 n ASN 12 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 1o94 n ASN 12 Cb 0.52 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 1o94 n ASN 12 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1o94 s ASP 13 N -3.09 3.15 0.21 6.41 1.01 -0.53 -5.06 116.67 118.77 1o94 s ASP 13 Ca 0.00 -0.50 -0.31 0.00 0.71 0.00 0.00 52.55 52.45 1o94 s ASP 13 Cb 0.00 -0.95 -0.10 0.00 1.01 0.00 0.00 42.92 42.88 1o94 s ASP 13 CO 0.00 0.23 1.50 -0.22 0.21 0.00 0.00 175.17 176.89 1o94 s LEU 14 N -0.09 4.38 -0.15 1.23 2.96 -1.26 -1.46 118.68 124.28 1o94 s LEU 14 Ca -0.05 2.65 -0.23 0.00 -0.22 0.00 0.00 54.13 56.27 1o94 s LEU 14 Cb -0.14 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 1o94 s LEU 14 CO 0.04 -0.76 0.72 -0.13 -1.32 0.00 0.00 176.35 174.91 1o94 s ARG 15 N 0.30 4.31 0.62 1.98 0.52 -0.37 -4.94 118.95 121.37 1o94 s ARG 15 Ca 0.64 0.84 0.29 0.00 -0.52 0.00 0.00 55.73 56.98 1o94 s ARG 15 Cb -0.43 -3.54 1.54 0.00 0.52 0.00 0.00 34.95 33.05 1o94 s ARG 15 CO 0.38 -0.18 1.91 -1.35 0.02 0.00 0.00 175.30 176.08 1o94 h PRO 16 N 7.20 0.00 -0.48 3.54 0.10 -1.94 0.55 132.00 140.97 1o94 h PRO 16 Ca -0.34 0.00 0.14 0.00 0.10 0.00 0.00 66.00 65.90 1o94 h PRO 16 Cb 1.16 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.24 1o94 h PRO 16 CO 0.79 0.00 0.36 -0.24 0.10 0.00 0.00 178.00 179.01 1o94 h VAL 17 N 0.00 0.72 -0.81 3.15 3.04 -1.92 -0.66 116.25 119.77 1o94 h VAL 17 Ca 0.11 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.92 1o94 h VAL 17 Cb 0.91 0.75 -0.08 0.00 -2.01 0.00 0.00 31.29 30.86 1o94 h VAL 17 CO -0.00 0.00 0.42 0.28 -1.01 0.00 0.00 177.57 177.26 1o94 h SER 18 N 0.00 0.54 -0.46 3.17 0.02 -1.18 -0.49 113.55 115.16 1o94 h SER 18 Ca 0.23 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1o94 h SER 18 Cb 0.94 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1o94 h SER 18 CO -0.00 0.27 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.68 1o94 h LEU 19 N 0.65 0.99 -1.01 5.07 3.38 -1.33 -2.68 115.31 120.39 1o94 h LEU 19 Ca 0.42 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1o94 h LEU 19 Cb 0.51 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1o94 h LEU 19 CO -0.31 1.15 0.66 -0.33 0.09 0.00 0.00 178.44 179.70 1o94 h GLU 20 N 0.84 1.27 -0.40 1.13 5.08 -1.07 0.52 114.58 121.95 1o94 h GLU 20 Ca 0.11 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1o94 h GLU 20 Cb 0.77 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1o94 h GLU 20 CO 0.06 0.84 0.10 -0.07 -1.00 0.00 0.00 179.01 178.94 1o94 h LEU 21 N 1.31 0.61 -0.38 1.33 -0.00 -0.97 0.74 115.31 117.95 1o94 h LEU 21 Ca 0.39 -0.23 0.06 0.00 -0.00 0.00 0.00 57.88 58.10 1o94 h LEU 21 Cb -0.06 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 40.38 1o94 h LEU 21 CO -0.11 0.68 0.05 0.40 -0.00 0.00 0.00 178.44 179.46 1o94 h ILE 22 N 0.51 0.77 -0.63 1.22 2.04 -1.09 0.18 117.51 120.52 1o94 h ILE 22 Ca 0.13 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1o94 h ILE 22 Cb 0.31 0.59 -0.11 0.00 -0.74 0.00 0.00 36.82 36.87 1o94 h ILE 22 CO 0.00 0.03 -0.43 1.23 0.00 0.00 0.00 178.15 178.98 1o94 h GLY 23 N 0.17 -0.40 1.00 5.37 0.00 -0.44 -0.21 103.07 108.55 1o94 h GLY 23 Ca 0.18 0.56 -0.04 0.00 0.00 0.00 0.00 47.33 48.04 1o94 h GLY 23 CO -0.26 -0.16 0.24 0.00 0.00 0.00 0.00 176.54 176.35 1o94 h ALA 24 N 0.71 0.78 -0.40 3.60 0.00 0.18 -1.81 119.26 122.32 1o94 h ALA 24 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1o94 h ALA 24 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1o94 h ALA 24 CO -0.72 0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.18 1o94 h ALA 25 N 1.08 0.50 -0.57 0.00 0.00 -0.34 -2.66 119.26 117.27 1o94 h ALA 25 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1o94 h ALA 25 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1o94 h ALA 25 CO -0.02 -0.03 0.17 -0.91 0.00 0.00 0.00 179.25 178.47 1o94 h ASN 26 N 0.53 0.84 0.17 0.00 4.21 -0.74 -2.10 115.58 118.49 1o94 h ASN 26 Ca 0.14 -0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1o94 h ASN 26 Cb -0.04 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 1o94 h ASN 26 CO -0.03 0.83 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 1o94 n GLY 27 N -0.69 -0.60 0.00 2.83 0.00 -0.71 -3.04 105.19 102.98 1o94 n GLY 27 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1o94 n GLY 27 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1o94 n LEU 28 N -1.38 0.11 -4.63 0.99 7.94 -0.82 -5.00 117.00 114.21 1o94 n LEU 28 Ca 0.02 -0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.40 1o94 n LEU 28 Cb 0.06 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.02 1o94 n LEU 28 CO 0.05 0.03 0.65 0.29 -1.11 0.00 0.00 177.39 177.30 1o94 n LYS 29 N -1.74 1.47 -1.94 1.96 4.01 -1.03 -4.82 118.16 116.08 1o94 n LYS 29 Ca -0.01 0.53 -0.34 0.00 -0.51 0.00 0.00 58.31 57.97 1o94 n LYS 29 Cb 0.26 -2.09 0.04 0.00 -0.51 0.00 0.00 35.03 32.72 1o94 n LYS 29 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1o94 n LYS 30 N 0.18 2.99 0.00 1.97 4.76 -1.26 -4.89 118.16 121.91 1o94 n LYS 30 Ca 0.09 -3.78 0.00 0.00 -2.87 0.00 0.00 58.31 51.75 1o94 n LYS 30 Cb 0.39 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1o94 n LYS 30 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1o94 n SER 31 N -0.63 0.00 0.25 4.39 7.64 -1.26 -4.83 113.62 119.18 1o94 n SER 31 Ca 0.51 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.49 1o94 n SER 31 Cb 0.51 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 64.40 1o94 n SER 31 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1o94 h GLY 32 N 0.00 0.00 2.00 0.23 0.00 -2.00 -0.81 103.07 102.49 1o94 h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o94 h GLY 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.54 177.59 1o94 h GLU 33 N 0.00 0.00 -7.05 4.80 4.11 -1.99 -3.45 114.58 111.00 1o94 h GLU 33 Ca 0.02 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.95 1o94 h GLU 33 Cb 0.06 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.37 1o94 h GLU 33 CO -0.00 0.00 0.43 -0.51 0.07 0.00 0.00 179.01 179.00 1o94 s ASP 34 N -4.95 6.08 -0.05 3.06 1.01 -0.31 -5.04 116.67 116.47 1o94 s ASP 34 Ca 0.03 2.14 0.06 0.00 0.71 0.00 0.00 52.55 55.50 1o94 s ASP 34 Cb 0.09 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1o94 s ASP 34 CO 0.48 -0.97 -0.24 -0.54 0.21 0.00 0.00 175.17 174.11 1o94 s LYS 35 N -3.04 2.32 -0.29 8.23 1.02 -1.04 -5.01 119.74 121.94 1o94 s LYS 35 Ca 0.68 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.67 1o94 s LYS 35 Cb -0.23 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1o94 s LYS 35 CO 0.27 0.39 0.32 0.08 -0.92 0.00 0.00 175.35 175.50 1o94 s VAL 36 N -0.23 5.21 -0.19 3.17 1.01 -1.26 -0.71 120.40 127.40 1o94 s VAL 36 Ca -0.01 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1o94 s VAL 36 Cb -0.12 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1o94 s VAL 36 CO 0.02 0.11 0.09 0.54 0.00 0.00 0.00 175.10 175.87 1o94 s VAL 37 N 1.97 5.03 -0.09 2.92 0.11 0.30 -1.82 120.40 128.81 1o94 s VAL 37 Ca 0.12 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1o94 s VAL 37 Cb -0.16 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 1o94 s VAL 37 CO 0.11 0.44 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.59 1o94 s VAL 38 N 0.44 3.96 0.04 2.04 1.01 0.45 -0.03 120.40 128.32 1o94 s VAL 38 Ca 0.05 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1o94 s VAL 38 Cb -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1o94 s VAL 38 CO -0.00 0.58 -0.24 0.00 0.00 0.00 0.00 175.10 175.44 1o94 s ALA 39 N -0.61 2.04 -0.06 5.51 0.00 -0.01 -0.76 121.76 127.87 1o94 s ALA 39 Ca 0.10 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1o94 s ALA 39 Cb -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1o94 s ALA 39 CO 0.02 0.48 -0.12 0.54 0.00 0.00 0.00 175.76 176.68 1o94 s VAL 40 N -0.80 1.11 -0.12 0.00 0.11 -0.78 -0.30 120.40 119.63 1o94 s VAL 40 Ca 0.10 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.72 1o94 s VAL 40 Cb -0.09 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1o94 s VAL 40 CO 0.02 0.35 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.29 1o94 s ILE 41 N 0.67 1.99 0.00 7.04 1.01 -1.26 -1.43 121.20 129.22 1o94 s ILE 41 Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1o94 s ILE 41 Cb -0.16 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1o94 s ILE 41 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1o94 n GLY 42 N 3.80 3.33 0.36 6.18 0.00 -0.28 -4.87 105.19 113.71 1o94 n GLY 42 Ca -0.20 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.41 1o94 n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o94 h SER 43 N 0.00 0.00 -0.11 1.61 4.64 -1.45 -1.45 113.55 116.79 1o94 h SER 43 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1o94 h SER 43 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1o94 h SER 43 CO 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 175.54 1o94 n GLN 44 N -4.18 1.73 0.02 4.77 6.02 -1.26 -4.82 117.38 119.65 1o94 n GLN 44 Ca 0.06 -3.32 0.10 0.00 -0.01 0.00 0.00 57.00 53.83 1o94 n GLN 44 Cb 0.50 -1.69 0.44 0.00 1.02 0.00 0.00 30.24 30.51 1o94 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o94 n ALA 45 N -1.10 1.94 0.26 -1.58 0.00 -0.54 -2.65 120.51 116.83 1o94 n ALA 45 Ca 0.23 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.71 1o94 n ALA 45 Cb 0.78 -1.35 0.69 0.00 0.00 0.00 0.00 19.45 19.57 1o94 n ALA 45 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1o94 h ASP 46 N 0.00 0.00 -0.07 0.00 -0.00 -1.88 -2.54 116.42 111.93 1o94 h ASP 46 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.05 1o94 h ASP 46 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.70 1o94 h ASP 46 CO 0.00 0.06 0.12 0.00 -0.00 0.00 0.00 179.24 179.42 1o94 h ALA 47 N 1.94 1.46 -0.01 4.15 0.00 -1.93 -2.86 119.26 122.00 1o94 h ALA 47 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1o94 h ALA 47 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1o94 h ALA 47 CO 0.01 -0.15 -0.10 1.19 0.00 0.00 0.00 179.25 180.20 1o94 n PHE 48 N -3.50 0.00 -0.06 0.00 3.01 -0.96 -4.33 117.46 111.63 1o94 n PHE 48 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1o94 n PHE 48 Cb 0.21 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 1o94 n PHE 48 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1o94 h VAL 49 N 2.11 0.81 -0.36 -4.37 2.07 -1.66 -1.07 116.25 113.77 1o94 h VAL 49 Ca 0.00 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1o94 h VAL 49 Cb 0.54 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1o94 h VAL 49 CO 0.00 0.01 -0.24 -0.65 0.02 0.00 0.00 177.57 176.72 1o94 h PRO 50 N 0.07 -0.18 0.00 1.57 0.11 -1.84 -0.27 132.00 131.47 1o94 h PRO 50 Ca 0.12 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1o94 h PRO 50 Cb 0.16 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1o94 h PRO 50 CO -0.21 -0.12 -0.01 0.00 -0.21 0.00 0.00 178.00 177.45 1o94 h ALA 51 N 0.98 1.01 -0.02 -0.75 0.00 -1.73 -2.85 119.26 115.90 1o94 h ALA 51 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1o94 h ALA 51 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1o94 h ALA 51 CO -0.47 0.01 -0.14 1.28 0.00 0.00 0.00 179.25 179.93 1o94 n LEU 52 N -3.11 2.15 -4.30 0.00 4.77 -0.44 -4.71 117.00 111.36 1o94 n LEU 52 Ca -0.01 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 1o94 n LEU 52 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1o94 n LEU 52 CO 0.24 0.39 1.64 -1.20 -1.33 0.00 0.00 177.39 177.13 1o94 n SER 53 N 0.56 5.12 -4.18 -1.43 7.64 -0.17 -4.87 113.62 116.28 1o94 n SER 53 Ca 0.09 -3.00 -0.11 0.00 1.01 0.00 0.00 58.87 56.85 1o94 n SER 53 Cb 0.41 -1.56 -0.10 0.00 -1.01 0.00 0.00 64.21 61.94 1o94 n SER 53 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1o94 s VAL 54 N 1.53 0.74 0.18 0.44 -7.23 -1.26 -2.05 120.40 112.75 1o94 s VAL 54 Ca 0.43 -1.95 -0.33 0.00 -1.81 0.00 0.00 61.98 58.32 1o94 s VAL 54 Cb 0.02 -1.73 -0.15 0.00 0.56 0.00 0.00 36.38 35.07 1o94 s VAL 54 CO 0.01 -0.83 1.33 -3.20 -0.31 0.00 0.00 175.10 172.10 1o94 n ASN 55 N -0.07 2.14 0.00 4.85 5.15 0.05 -1.67 115.26 125.70 1o94 n ASN 55 Ca -0.11 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 1o94 n ASN 55 Cb 0.61 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 1o94 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o94 n GLY 56 N 2.33 3.28 3.61 8.20 0.00 -1.26 -4.80 105.19 116.55 1o94 n GLY 56 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1o94 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o94 s VAL 57 N -2.87 5.00 -0.20 1.61 1.01 -0.67 -4.57 120.40 119.71 1o94 s VAL 57 Ca 0.00 0.88 0.18 0.00 0.00 0.00 0.00 61.98 63.04 1o94 s VAL 57 Cb 0.00 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 32.21 1o94 s VAL 57 CO 0.00 -0.03 0.08 0.47 0.00 0.00 0.00 175.10 175.61 1o94 n ASP 58 N 5.72 0.02 -3.78 3.32 10.43 -0.76 -3.87 116.55 127.63 1o94 n ASP 58 Ca -0.02 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.20 1o94 n ASP 58 Cb 0.49 1.01 -0.15 0.00 1.84 0.00 0.00 41.12 44.32 1o94 n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1o94 s GLU 59 N -2.50 0.05 -0.30 -1.24 2.02 -1.11 -2.17 118.70 113.45 1o94 s GLU 59 Ca -0.10 0.25 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 1o94 s GLU 59 Cb 0.06 -0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.19 1o94 s GLU 59 CO 0.83 -0.13 -0.02 -1.17 0.02 0.00 0.00 175.26 174.79 1o94 s LEU 60 N 0.88 3.86 -0.27 1.80 0.20 -0.88 -0.41 118.68 123.87 1o94 s LEU 60 Ca -0.07 -1.35 -0.11 0.00 0.69 0.00 0.00 54.13 53.29 1o94 s LEU 60 Cb -0.10 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 1o94 s LEU 60 CO -0.04 -0.26 0.18 -0.69 -0.29 0.00 0.00 176.35 175.26 1o94 s VAL 61 N 1.21 5.32 -0.18 1.68 1.01 0.06 -0.72 120.40 128.78 1o94 s VAL 61 Ca -0.05 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1o94 s VAL 61 Cb -0.20 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1o94 s VAL 61 CO -0.02 0.27 0.39 -0.69 0.00 0.00 0.00 175.10 175.05 1o94 s VAL 62 N 1.62 5.22 -0.21 2.92 1.01 0.36 -1.86 120.40 129.45 1o94 s VAL 62 Ca 0.07 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 1o94 s VAL 62 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1o94 s VAL 62 CO 0.10 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.67 1o94 s VAL 63 N 1.01 2.50 -0.11 2.92 1.01 -0.51 -0.65 120.40 126.58 1o94 s VAL 63 Ca 0.20 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1o94 s VAL 63 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1o94 s VAL 63 CO 0.07 0.39 0.14 -1.59 0.00 0.00 0.00 175.10 174.12 1o94 s LYS 64 N 1.32 3.44 0.00 2.72 0.00 -0.86 -1.13 119.74 125.22 1o94 s LYS 64 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 55.97 55.84 1o94 s LYS 64 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 37.83 34.50 1o94 s LYS 64 CO -0.08 0.77 0.00 0.41 0.00 0.00 0.00 175.35 176.44 1o94 n GLY 65 N 1.86 5.53 0.11 0.59 0.00 -1.26 0.85 105.19 112.87 1o94 n GLY 65 Ca -0.19 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1o94 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o94 n SER 66 N 0.00 0.97 -4.90 1.61 3.41 -1.26 -4.61 113.62 108.85 1o94 n SER 66 Ca 0.00 -0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 1o94 n SER 66 Cb 0.00 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1o94 n SER 66 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1o94 s SER 67 N -6.00 6.42 -0.01 4.04 1.04 -1.26 -4.93 113.70 113.01 1o94 s SER 67 Ca -0.22 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.46 1o94 s SER 67 Cb 0.07 -2.03 -0.10 0.00 0.10 0.00 0.00 66.02 64.06 1o94 s SER 67 CO 0.72 0.22 0.85 0.40 0.98 0.00 0.00 173.24 176.41 1o94 h ILE 68 N 2.65 0.00 -3.74 -1.02 2.04 -1.95 -1.94 117.51 113.56 1o94 h ILE 68 Ca -0.48 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1o94 h ILE 68 Cb 1.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1o94 h ILE 68 CO 0.70 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.32 1o94 n ASP 69 N -4.68 0.09 -4.69 1.72 8.00 -1.26 -3.82 116.55 111.91 1o94 n ASP 69 Ca -0.08 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.92 1o94 n ASP 69 Cb 0.26 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1o94 n ASP 69 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1o94 n PHE 70 N -1.26 2.25 -3.76 1.24 7.35 -1.26 -4.98 117.46 117.03 1o94 n PHE 70 Ca 0.01 0.48 -0.13 0.00 -0.76 0.00 0.00 57.45 57.05 1o94 n PHE 70 Cb 0.03 -2.44 -0.13 0.00 0.35 0.00 0.00 39.48 37.28 1o94 n PHE 70 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1o94 s ASP 71 N 0.01 -0.19 0.18 -2.13 -1.08 -1.26 -4.95 116.67 107.25 1o94 s ASP 71 Ca 0.62 0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 52.94 1o94 s ASP 71 Cb -0.60 0.32 0.08 0.00 -1.46 0.00 0.00 42.92 41.26 1o94 s ASP 71 CO 0.56 -0.13 1.68 -0.65 0.52 0.00 0.00 175.17 177.15 1o94 h PRO 72 N 6.80 1.02 -0.27 4.34 0.11 -1.94 -1.60 132.00 140.47 1o94 h PRO 72 Ca -0.37 -0.26 -0.07 0.00 0.11 0.00 0.00 66.00 65.41 1o94 h PRO 72 Cb 1.16 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1o94 h PRO 72 CO 0.40 0.94 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.58 1o94 h ASP 73 N 0.94 0.56 -0.06 -2.05 3.32 -1.97 -1.12 116.42 116.04 1o94 h ASP 73 Ca 0.19 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1o94 h ASP 73 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1o94 h ASP 73 CO 0.01 0.83 0.01 0.58 -1.72 0.00 0.00 179.24 178.95 1o94 h VAL 74 N 0.29 0.97 -0.18 -1.35 2.07 -1.91 -1.87 116.25 114.27 1o94 h VAL 74 Ca 0.06 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1o94 h VAL 74 Cb 0.61 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1o94 h VAL 74 CO 0.04 0.01 0.07 -0.26 0.02 0.00 0.00 177.57 177.44 1o94 h PHE 75 N 0.03 0.29 -0.24 1.57 -1.00 -1.25 0.12 116.94 116.46 1o94 h PHE 75 Ca 0.03 -0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.84 1o94 h PHE 75 Cb 0.02 -0.08 -0.06 0.00 3.61 0.00 0.00 35.95 39.44 1o94 h PHE 75 CO -0.10 0.36 -0.12 1.49 -1.61 0.00 0.00 178.31 178.33 1o94 h GLU 76 N 0.13 -0.10 -0.47 1.51 4.81 -1.18 -0.39 114.58 118.90 1o94 h GLU 76 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1o94 h GLU 76 Cb 0.20 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1o94 h GLU 76 CO -0.00 -0.06 0.24 0.00 -0.73 0.00 0.00 179.01 178.45 1o94 h ALA 77 N 1.09 0.60 -0.34 2.92 0.00 -1.12 -1.62 119.26 120.79 1o94 h ALA 77 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1o94 h ALA 77 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1o94 h ALA 77 CO -0.30 -0.11 0.14 0.77 0.00 0.00 0.00 179.25 179.75 1o94 h SER 78 N 0.47 0.47 -0.20 0.00 0.02 -0.39 -2.40 113.55 111.52 1o94 h SER 78 Ca 0.21 -0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1o94 h SER 78 Cb 0.11 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1o94 h SER 78 CO -0.14 0.50 -0.53 0.58 -1.14 0.00 0.00 176.83 176.10 1o94 h VAL 79 N 0.40 1.31 -0.82 2.27 2.07 -1.00 -0.63 116.25 119.85 1o94 h VAL 79 Ca 0.11 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 65.95 1o94 h VAL 79 Cb 0.18 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1o94 h VAL 79 CO -0.01 0.55 0.53 0.28 0.02 0.00 0.00 177.57 178.95 1o94 h SER 80 N 0.43 0.78 -0.31 0.57 0.02 -1.32 0.14 113.55 113.86 1o94 h SER 80 Ca -0.01 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1o94 h SER 80 Cb 1.15 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1o94 h SER 80 CO 0.11 0.50 -0.47 0.00 -1.14 0.00 0.00 176.83 175.84 1o94 h ALA 81 N 1.56 0.53 -0.67 3.77 0.00 -1.06 -1.77 119.26 121.62 1o94 h ALA 81 Ca 0.35 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1o94 h ALA 81 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1o94 h ALA 81 CO -0.13 0.68 0.36 -0.07 0.00 0.00 0.00 179.25 180.09 1o94 h LEU 82 N 0.70 0.85 -0.35 0.00 3.38 -0.48 -2.62 115.31 116.79 1o94 h LEU 82 Ca 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1o94 h LEU 82 Cb 1.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1o94 h LEU 82 CO 0.11 0.71 0.03 0.40 0.09 0.00 0.00 178.44 179.78 1o94 h ILE 83 N 0.93 1.25 0.00 1.22 2.04 -0.65 -1.62 117.51 120.67 1o94 h ILE 83 Ca 0.24 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1o94 h ILE 83 Cb 0.06 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1o94 h ILE 83 CO -0.04 0.30 -0.23 0.00 0.00 0.00 0.00 178.15 178.19 1o94 h ALA 84 N 0.88 1.38 0.00 1.87 0.00 -1.25 0.13 119.26 122.27 1o94 h ALA 84 Ca 0.10 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1o94 h ALA 84 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1o94 h ALA 84 CO 0.01 0.28 -1.61 0.00 0.00 0.00 0.00 179.25 177.93 1o94 n ALA 85 N -2.38 1.88 0.27 0.00 0.00 -0.99 -4.28 120.51 115.00 1o94 n ALA 85 Ca -0.02 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.79 1o94 n ALA 85 Cb 0.31 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.96 1o94 n ALA 85 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o94 n HIS 86 N -2.85 0.01 -3.51 0.00 8.25 -0.62 -5.04 115.22 111.47 1o94 n HIS 86 Ca -0.13 -0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.25 1o94 n HIS 86 Cb 0.89 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1o94 n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1o94 n ASN 87 N 0.37 -0.55 -4.78 0.41 0.23 0.45 -4.76 115.26 106.63 1o94 n ASN 87 Ca 0.04 -0.16 -0.36 0.00 -0.53 0.00 0.00 54.58 53.58 1o94 n ASN 87 Cb 0.18 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 1o94 n ASN 87 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1o94 s PRO 88 N -4.62 3.77 0.22 -0.53 0.04 -1.26 -4.66 135.00 127.96 1o94 s PRO 88 Ca 0.05 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1o94 s PRO 88 Cb -0.03 -2.25 0.20 0.00 0.04 0.00 0.00 34.50 32.46 1o94 s PRO 88 CO 0.12 -0.49 1.53 0.66 0.04 0.00 0.00 177.00 178.86 1o94 h SER 89 N 1.81 0.36 -3.38 6.66 4.64 -1.53 -3.40 113.55 118.71 1o94 h SER 89 Ca -0.49 -0.21 -0.24 0.00 -0.47 0.00 0.00 61.79 60.37 1o94 h SER 89 Cb 1.24 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.90 1o94 h SER 89 CO 0.60 0.88 -0.59 -0.69 -0.87 0.00 0.00 176.83 176.16 1o94 s VAL 90 N -3.78 -0.07 -0.10 0.95 1.01 -1.25 -1.29 120.40 115.86 1o94 s VAL 90 Ca -0.05 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1o94 s VAL 90 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1o94 s VAL 90 CO 0.81 0.08 -0.18 0.54 0.00 0.00 0.00 175.10 176.35 1o94 s VAL 91 N 1.31 2.59 -0.21 2.92 0.11 0.13 -1.76 120.40 125.49 1o94 s VAL 91 Ca -0.08 -0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1o94 s VAL 91 Cb -0.12 -2.03 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 1o94 s VAL 91 CO -0.06 0.55 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.44 1o94 s LEU 92 N 0.15 2.85 0.18 2.54 1.43 0.52 -0.58 118.68 125.78 1o94 s LEU 92 Ca -0.10 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1o94 s LEU 92 Cb -0.16 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1o94 s LEU 92 CO 0.06 0.01 -0.12 -0.76 0.23 0.00 0.00 176.35 175.76 1o94 s LEU 93 N 1.32 2.87 0.52 1.79 1.43 -0.00 -1.38 118.68 125.23 1o94 s LEU 93 Ca 0.04 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1o94 s LEU 93 Cb -0.14 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 1o94 s LEU 93 CO -0.03 0.11 1.12 -2.16 0.23 0.00 0.00 176.35 175.61 1o94 s PRO 94 N -2.79 3.51 -0.96 1.29 0.04 -1.26 -1.17 135.00 133.64 1o94 s PRO 94 Ca 0.24 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1o94 s PRO 94 Cb -0.09 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1o94 s PRO 94 CO 0.14 -0.72 1.28 -1.58 0.04 0.00 0.00 177.00 176.16 1o94 s HIS 95 N -1.78 2.82 0.14 0.56 2.46 0.38 -4.48 115.29 115.39 1o94 s HIS 95 Ca 0.70 -1.09 0.01 0.00 0.47 0.00 0.00 55.06 55.15 1o94 s HIS 95 Cb -0.23 -4.48 -0.04 0.00 -0.13 0.00 0.00 32.58 27.69 1o94 s HIS 95 CO 0.27 -1.71 -0.01 -1.54 -2.47 0.00 0.00 174.74 169.27 1o94 s SER 96 N 4.27 0.98 0.31 9.88 1.04 -1.26 -4.63 113.70 124.29 1o94 s SER 96 Ca 0.39 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.75 1o94 s SER 96 Cb -0.03 0.15 0.69 0.00 0.10 0.00 0.00 66.02 66.93 1o94 s SER 96 CO -0.09 -0.57 1.83 0.58 0.98 0.00 0.00 173.24 175.97 1o94 h VAL 97 N 2.83 0.83 -0.08 5.02 2.07 -2.00 0.11 116.25 125.02 1o94 h VAL 97 Ca -0.36 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1o94 h VAL 97 Cb 1.19 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1o94 h VAL 97 CO 0.63 0.15 0.01 0.44 0.02 0.00 0.00 177.57 178.83 1o94 h ASP 98 N 0.84 0.13 -0.11 0.57 3.32 -1.96 -2.41 116.42 116.80 1o94 h ASP 98 Ca 0.51 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1o94 h ASP 98 Cb 0.69 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1o94 h ASP 98 CO -0.28 0.35 0.05 0.28 -1.72 0.00 0.00 179.24 177.92 1o94 h SER 99 N -0.10 0.17 0.07 6.45 0.02 -1.39 -0.94 113.55 117.82 1o94 h SER 99 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1o94 h SER 99 Cb 0.27 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1o94 h SER 99 CO 0.00 0.16 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.74 1o94 h LEU 100 N 0.19 0.00 -2.07 5.07 3.38 -0.52 0.81 115.31 122.17 1o94 h LEU 100 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1o94 h LEU 100 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1o94 h LEU 100 CO -0.01 0.05 -0.03 1.23 0.09 0.00 0.00 178.44 179.77 1o94 h GLY 101 N 0.19 0.00 0.00 0.83 0.00 -1.07 -3.40 103.07 99.63 1o94 h GLY 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o94 h GLY 101 CO 0.01 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.13 1o94 n TYR 102 N -3.22 0.00 -0.16 5.60 0.18 -0.79 -4.80 117.16 113.98 1o94 n TYR 102 Ca -0.01 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.75 1o94 n TYR 102 Cb 0.22 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.23 1o94 n TYR 102 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1o94 h ALA 103 N 0.00 0.45 0.00 -3.48 0.00 -1.08 -1.28 119.26 113.87 1o94 h ALA 103 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1o94 h ALA 103 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1o94 h ALA 103 CO 0.00 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.51 1o94 h SER 104 N 0.09 0.00 -0.20 0.00 4.64 -1.86 -2.44 113.55 113.77 1o94 h SER 104 Ca 0.25 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 1o94 h SER 104 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1o94 h SER 104 CO -0.44 0.00 -0.49 -1.28 -0.87 0.00 0.00 176.83 173.75 1o94 h SER 105 N 0.00 0.78 -1.01 4.97 0.87 -1.62 -2.50 113.55 115.05 1o94 h SER 105 Ca 0.00 -0.57 0.19 0.00 -1.23 0.00 0.00 61.79 60.19 1o94 h SER 105 Cb 0.54 -0.23 -0.11 0.00 -0.44 0.00 0.00 62.40 62.16 1o94 h SER 105 CO 0.00 1.20 0.61 0.25 -0.53 0.00 0.00 176.83 178.37 1o94 h LEU 106 N 0.39 0.78 0.01 2.23 5.85 -1.05 -2.94 115.31 120.58 1o94 h LEU 106 Ca -0.00 0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.58 1o94 h LEU 106 Cb 1.10 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1o94 h LEU 106 CO 0.11 0.27 -1.17 0.00 -0.34 0.00 0.00 178.44 177.30 1o94 h ALA 107 N 1.65 0.42 -0.31 1.25 0.00 -1.45 -3.36 119.26 117.46 1o94 h ALA 107 Ca 0.58 -1.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1o94 h ALA 107 Cb 0.92 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o94 h ALA 107 CO -0.39 1.30 -0.18 0.77 0.00 0.00 0.00 179.25 180.75 1o94 h SER 108 N 0.01 0.55 1.29 0.00 0.02 -1.26 -2.69 113.55 111.48 1o94 h SER 108 Ca -0.08 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1o94 h SER 108 Cb 1.84 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1o94 h SER 108 CO 0.12 0.75 0.00 0.11 -1.14 0.00 0.00 176.83 176.67 1o94 h LYS 109 N 0.50 0.00 0.00 3.45 1.57 -1.71 -3.41 116.57 116.98 1o94 h LYS 109 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1o94 h LYS 109 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1o94 h LYS 109 CO 0.04 0.00 -0.74 0.25 -0.57 0.00 0.00 179.45 178.44 1o94 n THR 110 N -2.79 0.00 -1.32 -0.16 -2.24 -1.04 -5.03 114.28 101.71 1o94 n THR 110 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1o94 n THR 110 Cb 0.37 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1o94 n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o94 n GLY 111 N 2.96 0.77 3.83 3.38 0.00 -1.07 -5.05 105.19 110.01 1o94 n GLY 111 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1o94 n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o94 s TYR 112 N -2.00 3.37 0.29 1.61 2.02 -1.26 -4.95 117.35 116.44 1o94 s TYR 112 Ca 0.00 1.52 -0.29 0.00 -0.37 0.00 0.00 57.07 57.93 1o94 s TYR 112 Cb 0.00 -2.80 -0.13 0.00 -0.40 0.00 0.00 41.96 38.63 1o94 s TYR 112 CO 0.00 -0.20 1.24 0.41 -1.57 0.00 0.00 175.55 175.43 1o94 n GLY 113 N -1.02 0.39 3.00 0.71 0.00 -0.66 -4.85 105.19 102.76 1o94 n GLY 113 Ca 0.07 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 1o94 n GLY 113 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o94 s PHE 114 N -0.78 -0.35 -0.03 1.61 5.36 -1.26 0.97 117.98 123.51 1o94 s PHE 114 Ca 0.60 0.84 -0.10 0.00 -0.96 0.00 0.00 56.93 57.31 1o94 s PHE 114 Cb -0.64 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.02 1o94 s PHE 114 CO 0.58 -0.29 0.22 0.00 -1.46 0.00 0.00 175.22 174.27 1o94 s ALA 115 N 1.93 -0.54 0.32 11.12 0.00 -1.00 -5.01 121.76 128.59 1o94 s ALA 115 Ca -0.03 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1o94 s ALA 115 Cb -0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1o94 s ALA 115 CO -0.08 -0.19 -0.02 0.95 0.00 0.00 0.00 175.76 176.41 1o94 s THR 116 N -0.88 2.67 -1.38 0.00 -4.23 -1.26 -1.76 115.64 108.80 1o94 s THR 116 Ca -0.10 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1o94 s THR 116 Cb -0.05 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.07 1o94 s THR 116 CO 0.02 -0.24 0.58 -0.67 -0.54 0.00 0.00 174.62 173.76 1o94 n ASP 117 N -0.89 -0.98 -4.71 3.99 2.03 -1.07 -4.86 116.55 110.05 1o94 n ASP 117 Ca -0.05 -0.92 -0.41 0.00 0.52 0.00 0.00 54.79 53.94 1o94 n ASP 117 Cb 0.62 -3.51 -0.04 0.00 -0.72 0.00 0.00 41.12 37.47 1o94 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o94 s VAL 118 N -3.78 4.94 -0.02 5.18 1.01 -0.47 -4.49 120.40 122.77 1o94 s VAL 118 Ca 0.06 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1o94 s VAL 118 Cb -0.03 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1o94 s VAL 118 CO 0.85 0.18 0.41 0.00 0.00 0.00 0.00 175.10 176.54 1o94 n TYR 119 N 4.07 0.00 -3.75 5.22 0.18 -0.63 -0.79 117.16 121.46 1o94 n TYR 119 Ca 0.03 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.66 1o94 n TYR 119 Cb 0.51 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.31 1o94 n TYR 119 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1o94 s ILE 120 N -0.20 -0.07 0.03 -3.48 1.01 -1.18 -4.98 121.20 112.33 1o94 s ILE 120 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1o94 s ILE 120 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 1o94 s ILE 120 CO 0.00 0.10 -0.05 0.68 0.00 0.00 0.00 174.94 175.67 1o94 s VAL 121 N 1.27 0.33 -0.23 2.92 -7.23 -1.26 -0.26 120.40 115.94 1o94 s VAL 121 Ca -0.07 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 1o94 s VAL 121 Cb -0.12 -0.42 0.12 0.00 0.56 0.00 0.00 36.38 36.52 1o94 s VAL 121 CO -0.04 -0.38 0.99 -0.70 -0.31 0.00 0.00 175.10 174.67 1o94 s GLU 122 N -1.35 0.57 -0.04 4.82 2.12 -0.97 -4.98 118.70 118.87 1o94 s GLU 122 Ca -0.11 0.43 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 1o94 s GLU 122 Cb -0.09 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 1o94 s GLU 122 CO -0.00 -0.12 0.24 0.71 -0.54 0.00 0.00 175.26 175.54 1o94 s TYR 123 N -0.31 3.61 -0.55 5.30 1.51 -1.26 -1.05 117.35 124.59 1o94 s TYR 123 Ca 0.01 0.61 0.02 0.00 -1.01 0.00 0.00 57.07 56.70 1o94 s TYR 123 Cb -0.03 -2.01 0.14 0.00 -0.11 0.00 0.00 41.96 39.95 1o94 s TYR 123 CO -0.02 0.67 0.32 -0.65 -1.11 0.00 0.00 175.55 174.75 1o94 s GLN 124 N -1.38 2.17 7.16 -0.62 -0.21 -0.47 -4.96 119.66 121.36 1o94 s GLN 124 Ca 0.22 -2.59 0.00 0.00 0.02 0.00 0.00 55.36 53.01 1o94 s GLN 124 Cb -0.13 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1o94 s GLN 124 CO 0.11 -1.13 0.00 0.41 -2.12 0.00 0.00 175.29 172.56 1o94 n GLY 125 N 3.23 2.69 1.16 3.09 0.00 -1.26 -2.97 105.19 111.14 1o94 n GLY 125 Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1o94 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o94 n ASP 126 N 9.95 3.88 -4.37 1.61 8.00 -1.26 -4.94 116.55 129.42 1o94 n ASP 126 Ca 0.00 -2.22 -0.34 0.00 0.71 0.00 0.00 54.79 52.95 1o94 n ASP 126 Cb 0.00 -0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.52 1o94 n ASP 126 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1o94 s GLU 127 N -1.40 3.42 0.20 -1.24 8.01 -1.16 -5.09 118.70 121.44 1o94 s GLU 127 Ca 0.41 -0.64 -0.30 0.00 0.01 0.00 0.00 54.97 54.45 1o94 s GLU 127 Cb 0.24 -2.81 -0.09 0.00 -4.31 0.00 0.00 34.13 27.17 1o94 s GLU 127 CO 0.23 0.07 1.31 -1.17 0.01 0.00 0.00 175.26 175.71 1o94 s LEU 128 N 0.76 4.41 -0.08 1.80 2.96 -1.26 -1.36 118.68 125.91 1o94 s LEU 128 Ca -0.04 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 1o94 s LEU 128 Cb -0.15 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.95 1o94 s LEU 128 CO 0.02 -0.53 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.77 1o94 s VAL 129 N 0.12 0.79 0.02 1.68 1.01 -0.22 -4.04 120.40 119.76 1o94 s VAL 129 Ca 0.57 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1o94 s VAL 129 Cb -0.36 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1o94 s VAL 129 CO 0.38 0.31 -0.23 0.00 0.00 0.00 0.00 175.10 175.56 1o94 s ALA 130 N 1.39 2.37 -0.05 5.51 0.00 -0.29 -2.28 121.76 128.41 1o94 s ALA 130 Ca -0.02 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1o94 s ALA 130 Cb -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1o94 s ALA 130 CO -0.03 0.55 -0.24 0.99 0.00 0.00 0.00 175.76 177.02 1o94 s THR 131 N -0.79 2.19 0.30 0.00 2.01 0.65 0.14 115.64 120.15 1o94 s THR 131 Ca 0.12 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1o94 s THR 131 Cb -0.10 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1o94 s THR 131 CO 0.02 0.57 0.19 0.00 -0.69 0.00 0.00 174.62 174.72 1o94 s ARG 132 N -0.28 1.61 0.68 4.92 1.70 -0.48 -1.61 118.95 125.49 1o94 s ARG 132 Ca 0.00 -1.92 -0.07 0.00 -0.47 0.00 0.00 55.73 53.26 1o94 s ARG 132 Cb -0.13 0.06 0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1o94 s ARG 132 CO 0.03 -0.51 1.00 0.20 -1.08 0.00 0.00 175.30 174.93 1o94 s GLY 133 N -3.36 1.65 0.02 3.88 0.00 -1.26 0.28 107.32 108.53 1o94 s GLY 133 Ca 0.37 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1o94 s GLY 133 CO 0.20 -0.42 0.17 -0.32 0.00 0.00 0.00 173.10 172.73 1o94 s GLY 134 N -4.45 0.03 -1.06 0.20 0.00 -0.51 -4.59 107.32 96.94 1o94 s GLY 134 Ca 0.58 -0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.98 1o94 s GLY 134 CO 0.46 -0.32 0.76 -1.72 0.00 0.00 0.00 173.10 172.28 1o94 n TYR 135 N 1.12 -2.05 -3.74 1.90 4.02 -1.26 -1.18 117.16 115.97 1o94 n TYR 135 Ca -0.21 0.57 -0.25 0.00 -0.01 0.00 0.00 57.90 57.99 1o94 n TYR 135 Cb 0.57 -3.43 0.05 0.00 -0.02 0.00 0.00 39.34 36.51 1o94 n TYR 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1o94 n ASN 136 N -2.56 -4.17 -0.35 7.72 5.15 -1.26 -2.11 115.26 117.67 1o94 n ASN 136 Ca -0.11 -0.71 -0.05 0.00 -0.60 0.00 0.00 54.58 53.11 1o94 n ASN 136 Cb 0.59 -4.34 -0.02 0.00 -0.53 0.00 0.00 39.78 35.49 1o94 n ASN 136 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o94 n GLN 137 N -4.63 -0.86 0.12 1.20 1.13 -0.86 -4.90 117.38 108.58 1o94 n GLN 137 Ca -0.07 0.52 0.13 0.00 -1.94 0.00 0.00 57.00 55.64 1o94 n GLN 137 Cb 0.58 -4.35 0.29 0.00 0.11 0.00 0.00 30.24 26.88 1o94 n GLN 137 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1o94 h LYS 138 N 0.28 0.00 -5.03 -1.09 1.57 -0.60 -3.45 116.57 108.26 1o94 h LYS 138 Ca -0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.34 1o94 h LYS 138 Cb 0.57 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.74 1o94 h LYS 138 CO 0.14 0.00 -0.68 0.14 -0.57 0.00 0.00 179.45 178.48 1o94 s VAL 139 N -3.15 1.01 -0.08 0.50 -7.23 -0.92 -5.00 120.40 105.54 1o94 s VAL 139 Ca 0.09 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1o94 s VAL 139 Cb 0.11 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1o94 s VAL 139 CO 0.64 -0.49 0.19 0.20 -0.31 0.00 0.00 175.10 175.34 1o94 s ASN 140 N -3.24 6.44 -0.19 4.85 -0.87 -1.26 -1.43 114.94 119.24 1o94 s ASN 140 Ca 0.24 0.51 0.01 0.00 -1.57 0.00 0.00 52.86 52.05 1o94 s ASN 140 Cb 0.05 -2.08 0.03 0.00 -0.02 0.00 0.00 41.25 39.22 1o94 s ASN 140 CO 0.05 0.36 -0.19 -0.69 -2.57 0.00 0.00 177.10 174.07 1o94 s VAL 141 N -1.12 2.07 -0.15 1.60 1.01 0.14 -4.84 120.40 119.12 1o94 s VAL 141 Ca 0.19 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1o94 s VAL 141 Cb -0.13 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1o94 s VAL 141 CO 0.09 0.45 0.41 -1.61 0.00 0.00 0.00 175.10 174.44 1o94 s GLU 142 N 1.27 4.28 0.15 2.72 2.02 -1.26 -1.39 118.70 126.49 1o94 s GLU 142 Ca 0.03 0.30 0.09 0.00 0.02 0.00 0.00 54.97 55.42 1o94 s GLU 142 Cb -0.14 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1o94 s GLU 142 CO -0.12 0.14 -0.21 0.14 0.02 0.00 0.00 175.26 175.22 1o94 s VAL 143 N 0.73 1.96 0.34 2.63 -7.23 0.12 -4.96 120.40 114.00 1o94 s VAL 143 Ca 0.22 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1o94 s VAL 143 Cb -0.14 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 1o94 s VAL 143 CO 0.08 -0.15 0.06 1.51 -0.31 0.00 0.00 175.10 176.29 1o94 s ASP 144 N -2.39 2.54 -0.53 4.85 1.47 -1.26 -1.14 116.67 120.21 1o94 s ASP 144 Ca 0.14 -1.42 0.04 0.00 1.18 0.00 0.00 52.55 52.49 1o94 s ASP 144 Cb -0.08 -0.01 0.16 0.00 -0.34 0.00 0.00 42.92 42.64 1o94 s ASP 144 CO 0.07 -0.65 0.36 -0.36 0.68 0.00 0.00 175.17 175.27 1o94 s PHE 145 N -3.25 2.39 0.19 2.11 0.40 -1.26 -5.05 117.98 113.51 1o94 s PHE 145 Ca 0.34 -2.77 -0.33 0.00 -0.60 0.00 0.00 56.93 53.58 1o94 s PHE 145 Cb 0.08 -1.98 -0.13 0.00 0.51 0.00 0.00 43.02 41.50 1o94 s PHE 145 CO 0.15 -0.71 1.69 -2.30 0.70 0.00 0.00 175.22 174.75 1o94 n PRO 146 N 2.78 2.59 -1.52 0.24 -0.02 -1.26 -3.19 135.00 134.62 1o94 n PRO 146 Ca 0.18 0.93 -0.18 0.00 -2.02 0.00 0.00 63.50 62.41 1o94 n PRO 146 Cb 0.38 -2.76 -0.08 0.00 -0.02 0.00 0.00 33.50 31.02 1o94 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o94 n GLY 147 N 3.82 1.75 3.50 -1.23 0.00 -1.26 -4.93 105.19 106.84 1o94 n GLY 147 Ca 0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1o94 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o94 s LYS 148 N -3.51 3.24 0.47 1.61 -0.14 -1.19 -4.94 119.74 115.27 1o94 s LYS 148 Ca 0.00 -0.67 0.24 0.00 -1.36 0.00 0.00 55.97 54.18 1o94 s LYS 148 Cb 0.00 -3.92 1.13 0.00 -1.68 0.00 0.00 37.83 33.37 1o94 s LYS 148 CO 0.00 -0.74 1.93 0.77 -0.76 0.00 0.00 175.35 176.56 1o94 h SER 149 N 8.63 0.00 -3.33 2.83 0.02 -1.90 -3.41 113.55 116.38 1o94 h SER 149 Ca -0.28 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.21 1o94 h SER 149 Cb 1.12 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.31 1o94 h SER 149 CO 0.76 0.21 -0.79 -0.89 -1.14 0.00 0.00 176.83 174.97 1o94 s THR 150 N -3.96 0.75 -0.12 -2.27 2.01 -1.26 -4.17 115.64 106.62 1o94 s THR 150 Ca -0.01 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1o94 s THR 150 Cb 0.12 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1o94 s THR 150 CO 0.62 0.30 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.05 1o94 s VAL 151 N 1.31 3.20 -0.24 3.82 1.01 -0.41 -1.66 120.40 127.43 1o94 s VAL 151 Ca -0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1o94 s VAL 151 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1o94 s VAL 151 CO -0.03 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.00 1o94 s VAL 152 N 0.16 4.51 -0.01 2.92 1.01 0.27 0.18 120.40 129.44 1o94 s VAL 152 Ca -0.06 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1o94 s VAL 152 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1o94 s VAL 152 CO 0.04 0.36 -0.24 -0.76 0.00 0.00 0.00 175.10 174.50 1o94 s LEU 153 N 1.35 2.20 0.04 3.92 1.43 0.26 -2.36 118.68 125.51 1o94 s LEU 153 Ca 0.05 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1o94 s LEU 153 Cb -0.15 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1o94 s LEU 153 CO 0.04 0.31 0.27 0.42 0.23 0.00 0.00 176.35 177.63 1o94 s THR 154 N -0.67 5.30 -0.06 5.49 -4.23 -0.72 -0.82 115.64 119.93 1o94 s THR 154 Ca 0.11 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1o94 s THR 154 Cb -0.10 -3.58 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 1o94 s THR 154 CO -0.00 0.27 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.48 1o94 s ILE 155 N -1.40 2.10 0.19 2.99 -1.09 -0.32 -1.37 121.20 122.30 1o94 s ILE 155 Ca 0.31 -1.05 -0.31 0.00 -2.23 0.00 0.00 60.65 57.38 1o94 s ILE 155 Cb -0.13 -1.76 -0.09 0.00 -1.58 0.00 0.00 42.46 38.90 1o94 s ILE 155 CO 0.20 0.57 1.41 -0.60 -1.23 0.00 0.00 174.94 175.28 1o94 s ARG 156 N -0.14 4.31 0.59 2.79 3.52 0.03 -0.47 118.95 129.58 1o94 s ARG 156 Ca -0.04 2.18 -0.16 0.00 -0.13 0.00 0.00 55.73 57.58 1o94 s ARG 156 Cb -0.14 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1o94 s ARG 156 CO 0.04 -0.41 1.05 -1.25 -0.81 0.00 0.00 175.30 173.93 1o94 s PRO 157 N 0.33 3.33 -0.68 5.12 0.04 -1.26 -3.85 135.00 138.02 1o94 s PRO 157 Ca 0.62 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1o94 s PRO 157 Cb -0.39 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1o94 s PRO 157 CO 0.36 -0.80 0.00 0.43 0.04 0.00 0.00 177.00 177.03 1o94 n SER 158 N -2.06 -3.44 -0.04 6.66 7.64 -1.26 -4.91 113.62 116.21 1o94 n SER 158 Ca 0.09 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.99 1o94 n SER 158 Cb 0.53 -1.93 -0.03 0.00 -1.01 0.00 0.00 64.21 61.77 1o94 n SER 158 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o94 n VAL 159 N -3.17 0.47 -3.51 0.44 0.31 -1.25 -5.03 118.33 106.58 1o94 n VAL 159 Ca -0.07 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 63.75 1o94 n VAL 159 Cb 0.33 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 1o94 n VAL 159 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1o94 s PHE 160 N -2.16 3.68 0.08 3.52 0.40 -1.26 -5.06 117.98 117.19 1o94 s PHE 160 Ca -0.12 0.92 -0.24 0.00 -0.60 0.00 0.00 56.93 56.89 1o94 s PHE 160 Cb 0.04 -2.29 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 1o94 s PHE 160 CO 0.15 0.57 0.73 0.15 0.70 0.00 0.00 175.22 177.53 1o94 s LYS 161 N -0.78 4.47 0.38 0.44 1.02 -1.26 -4.65 119.74 119.36 1o94 s LYS 161 Ca 0.23 1.03 -0.26 0.00 0.02 0.00 0.00 55.97 56.98 1o94 s LYS 161 Cb -0.16 -3.31 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1o94 s LYS 161 CO 0.12 0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 174.91 1o94 s PRO 162 N -0.55 4.14 0.79 -1.68 0.04 -1.26 -4.37 135.00 132.11 1o94 s PRO 162 Ca 0.36 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1o94 s PRO 162 Cb -0.21 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.63 1o94 s PRO 162 CO 0.23 -0.27 1.20 -0.51 0.04 0.00 0.00 177.00 177.69 1o94 s LEU 163 N -2.32 3.17 -0.13 -3.56 1.43 -1.26 -4.97 118.68 111.04 1o94 s LEU 163 Ca 0.55 2.32 -0.08 0.00 -1.03 0.00 0.00 54.13 55.90 1o94 s LEU 163 Cb -0.32 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.27 1o94 s LEU 163 CO 0.41 -2.54 0.14 -1.83 0.23 0.00 0.00 176.35 172.76 1o94 s GLU 164 N -4.14 3.58 0.00 1.70 4.04 -1.26 -4.92 118.70 117.70 1o94 s GLU 164 Ca 0.72 -0.15 0.00 0.00 0.04 0.00 0.00 54.97 55.59 1o94 s GLU 164 Cb -0.28 -3.23 0.00 0.00 0.02 0.00 0.00 34.13 30.64 1o94 s GLU 164 CO 0.50 0.69 0.00 0.41 -1.84 0.00 0.00 175.26 175.01 1o94 n GLY 165 N 2.27 -0.80 3.92 -3.83 0.00 -1.26 -4.63 105.19 100.85 1o94 n GLY 165 Ca -0.19 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1o94 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o94 s ALA 166 N -1.10 3.14 0.21 4.61 0.00 -1.26 -0.77 121.76 126.59 1o94 s ALA 166 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1o94 s ALA 166 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1o94 s ALA 166 CO 0.00 -1.12 0.20 0.20 0.00 0.00 0.00 175.76 175.04 1o94 s GLY 167 N -4.42 1.27 -0.54 0.00 0.00 -0.87 -2.91 107.32 99.84 1o94 s GLY 167 Ca 0.58 -1.54 0.07 0.00 0.00 0.00 0.00 44.72 43.82 1o94 s GLY 167 CO 0.46 -1.25 0.76 -1.26 0.00 0.00 0.00 173.10 171.81 1o94 n SER 168 N -0.29 2.95 -4.81 1.64 2.88 -1.26 -4.31 113.62 110.42 1o94 n SER 168 Ca 0.01 -3.32 -0.34 0.00 -1.33 0.00 0.00 58.87 53.89 1o94 n SER 168 Cb 0.65 -0.63 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 1o94 n SER 168 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1o94 s PRO 169 N -2.51 4.30 -0.42 -1.46 0.04 -1.25 -4.97 135.00 128.74 1o94 s PRO 169 Ca 0.42 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 1o94 s PRO 169 Cb 0.21 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1o94 s PRO 169 CO -0.07 0.03 1.53 0.08 0.04 0.00 0.00 177.00 178.60 1o94 s VAL 170 N -2.01 3.76 0.13 -0.36 1.01 -0.92 -4.82 120.40 117.20 1o94 s VAL 170 Ca 0.59 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1o94 s VAL 170 Cb -0.12 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1o94 s VAL 170 CO 0.16 -0.73 1.08 -0.69 0.00 0.00 0.00 175.10 174.93 1o94 s VAL 171 N 6.01 4.08 0.13 2.92 1.01 -1.26 -2.07 120.40 131.22 1o94 s VAL 171 Ca 0.65 1.70 0.06 0.00 0.00 0.00 0.00 61.98 64.39 1o94 s VAL 171 Cb -0.15 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1o94 s VAL 171 CO 0.32 0.25 -0.14 -0.94 0.00 0.00 0.00 175.10 174.59 1o94 s SER 172 N 0.18 2.05 0.06 3.32 1.04 0.10 -4.95 113.70 115.50 1o94 s SER 172 Ca 0.51 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 56.15 1o94 s SER 172 Cb -0.28 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 1o94 s SER 172 CO 0.33 -0.16 -0.14 0.20 0.98 0.00 0.00 173.24 174.44 1o94 s ASN 173 N -2.60 4.10 0.06 7.02 0.02 -1.26 -0.49 114.94 121.79 1o94 s ASN 173 Ca 0.11 -0.38 -0.00 0.00 -1.02 0.00 0.00 52.86 51.57 1o94 s ASN 173 Cb -0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 41.25 40.45 1o94 s ASN 173 CO 0.03 0.24 -0.04 0.68 0.02 0.00 0.00 177.10 178.03 1o94 s VAL 174 N -1.03 0.33 0.08 1.60 -7.23 0.18 -4.93 120.40 109.40 1o94 s VAL 174 Ca 0.17 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 1o94 s VAL 174 Cb -0.11 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.38 1o94 s VAL 174 CO 0.08 -0.89 0.45 -1.81 -0.31 0.00 0.00 175.10 172.62 1o94 s ASP 175 N -2.74 6.75 0.86 4.85 1.01 -1.26 -2.04 116.67 124.10 1o94 s ASP 175 Ca 0.05 0.94 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 1o94 s ASP 175 Cb 0.05 -2.24 0.11 0.00 1.01 0.00 0.00 42.92 41.85 1o94 s ASP 175 CO -0.07 0.19 1.16 0.00 0.21 0.00 0.00 175.17 176.66 1o94 s ALA 176 N -1.33 1.70 -0.09 5.23 0.00 0.25 -4.84 121.76 122.69 1o94 s ALA 176 Ca 0.32 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1o94 s ALA 176 Cb -0.15 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1o94 s ALA 176 CO 0.17 -2.46 2.07 -2.30 0.00 0.00 0.00 175.76 173.24 1o94 n PRO 177 N -3.80 2.39 -1.89 0.00 -0.02 -1.26 -4.85 135.00 125.57 1o94 n PRO 177 Ca 0.12 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.12 1o94 n PRO 177 Cb 0.52 -3.04 -0.07 0.00 -0.02 0.00 0.00 33.50 30.89 1o94 n PRO 177 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1o94 n SER 178 N 9.10 2.75 -4.35 2.55 7.64 -1.26 -4.85 113.62 125.21 1o94 n SER 178 Ca 0.25 -2.67 -0.31 0.00 1.01 0.00 0.00 58.87 57.15 1o94 n SER 178 Cb 0.40 -1.66 -0.15 0.00 -1.01 0.00 0.00 64.21 61.79 1o94 n SER 178 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1o94 s VAL 179 N 11.31 2.25 -0.11 0.44 1.01 -1.26 -5.11 120.40 128.93 1o94 s VAL 179 Ca 0.69 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1o94 s VAL 179 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1o94 s VAL 179 CO 0.15 0.55 1.22 -1.58 0.00 0.00 0.00 175.10 175.44 1o94 s GLN 180 N -0.72 4.30 0.54 2.72 -0.44 -1.26 -4.95 119.66 119.85 1o94 s GLN 180 Ca 0.11 1.66 -0.21 0.00 -2.50 0.00 0.00 55.36 54.42 1o94 s GLN 180 Cb -0.10 -3.65 -0.05 0.00 -1.64 0.00 0.00 33.01 27.57 1o94 s GLN 180 CO -0.00 -0.57 1.25 0.45 0.50 0.00 0.00 175.29 176.92 1o94 s SER 181 N 1.69 5.46 -0.02 6.67 0.15 -1.26 -4.93 113.70 121.45 1o94 s SER 181 Ca 0.55 2.49 0.07 0.00 0.70 0.00 0.00 55.95 59.76 1o94 s SER 181 Cb -0.23 -2.61 0.24 0.00 -1.71 0.00 0.00 66.02 61.70 1o94 s SER 181 CO 0.18 -1.42 1.12 0.54 1.20 0.00 0.00 173.24 174.87 1o94 n ARG 182 N -1.13 1.77 -3.99 5.44 1.74 -1.26 -4.78 116.66 114.45 1o94 n ARG 182 Ca 0.11 -0.95 -0.08 0.00 -0.77 0.00 0.00 57.85 56.16 1o94 n ARG 182 Cb 0.48 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 1o94 n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o94 s SER 183 N -0.82 0.27 -0.09 0.55 1.04 -1.26 -5.15 113.70 108.24 1o94 s SER 183 Ca 0.17 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.72 1o94 s SER 183 Cb 0.10 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1o94 s SER 183 CO 0.10 -0.70 -0.06 -1.10 0.98 0.00 0.00 173.24 172.46 1o94 s GLN 184 N -3.92 1.24 0.10 4.02 -1.52 -1.26 -5.05 119.66 113.27 1o94 s GLN 184 Ca 0.10 -0.16 -0.31 0.00 -1.95 0.00 0.00 55.36 53.04 1o94 s GLN 184 Cb 0.06 -1.35 -0.07 0.00 -0.22 0.00 0.00 33.01 31.43 1o94 s GLN 184 CO -0.08 -0.23 1.29 -0.80 -0.25 0.00 0.00 175.29 175.22 1o94 s ASN 185 N 1.61 6.95 0.00 5.90 0.01 -1.26 -5.01 114.94 123.14 1o94 s ASN 185 Ca 0.02 2.20 0.00 0.00 -0.71 0.00 0.00 52.86 54.36 1o94 s ASN 185 Cb -0.13 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1o94 s ASN 185 CO -0.06 -0.55 0.00 0.29 -1.51 0.00 0.00 177.10 175.27 1o94 n LYS 186 N 3.76 0.00 -3.37 -0.60 4.76 -1.26 -5.11 118.16 116.34 1o94 n LYS 186 Ca 0.10 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.28 1o94 n LYS 186 Cb 0.44 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.61 1o94 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1o94 s ASP 187 N -0.68 6.34 0.46 4.39 1.01 -1.26 -5.09 116.67 121.84 1o94 s ASP 187 Ca 0.00 0.54 -0.17 0.00 0.71 0.00 0.00 52.55 53.62 1o94 s ASP 187 Cb 0.00 -2.07 -0.09 0.00 1.01 0.00 0.00 42.92 41.77 1o94 s ASP 187 CO 0.00 -0.25 0.93 -0.31 0.21 0.00 0.00 175.17 175.75 1o94 s TYR 188 N -2.23 3.40 0.00 4.23 1.51 -1.26 -5.30 117.35 117.70 1o94 s TYR 188 Ca 0.41 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.92 1o94 s TYR 188 Cb -0.10 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 1o94 s TYR 188 CO 0.34 -0.22 0.27 0.28 -1.11 0.00 0.00 175.55 175.10