#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q53 n SER 2 N 0.00 0.06 -3.11 1.61 7.64 -1.26 -5.10 113.62 113.46 1q53 n SER 2 Ca 0.00 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1q53 n SER 2 Cb 0.00 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1q53 n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1q53 n HIS 3 N -3.17 -2.19 -1.63 1.43 -0.00 -1.26 -4.72 115.22 103.69 1q53 n HIS 3 Ca 0.00 0.93 -0.42 0.00 -0.00 0.00 0.00 57.72 58.23 1q53 n HIS 3 Cb 0.00 -2.39 -0.02 0.00 -0.00 0.00 0.00 29.99 27.58 1q53 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1q53 n MET 4 N 0.52 2.48 -0.57 1.57 0.00 -1.26 -4.95 117.12 114.91 1q53 n MET 4 Ca -0.00 -2.43 -0.27 0.00 0.00 0.00 0.00 57.70 55.00 1q53 n MET 4 Cb 0.43 -3.21 0.18 0.00 0.00 0.00 0.00 33.22 30.62 1q53 n MET 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1q53 n GLU 5 N 6.52 -2.22 -3.50 0.03 0.28 -1.26 -4.93 120.64 115.56 1q53 n GLU 5 Ca 0.51 -0.64 -0.42 0.00 -0.16 0.00 0.00 57.16 56.45 1q53 n GLU 5 Cb 0.40 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.52 1q53 n GLU 5 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1q53 s GLU 6 N -3.63 3.24 0.73 3.44 8.01 -1.26 -5.06 118.70 124.17 1q53 s GLU 6 Ca 0.50 -0.83 -0.16 0.00 0.01 0.00 0.00 54.97 54.49 1q53 s GLU 6 Cb -0.10 -3.89 -0.06 0.00 -4.31 0.00 0.00 34.13 25.77 1q53 s GLU 6 CO 0.53 -0.59 0.31 0.00 0.01 0.00 0.00 175.26 175.52 1q53 n ALA 7 N 5.13 -2.16 0.06 5.21 0.00 -1.26 -4.87 120.51 122.62 1q53 n ALA 7 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1q53 n ALA 7 Cb 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1q53 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q53 n LYS 8 N -0.17 0.00 0.00 0.00 5.02 -1.26 -5.12 118.16 116.62 1q53 n LYS 8 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1q53 n LYS 8 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q53 n GLY 9 N -1.49 -0.04 0.08 0.72 0.00 -1.26 -4.95 105.19 98.25 1q53 n GLY 9 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1q53 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q53 h PRO 10 N 0.00 0.11 -6.06 1.61 0.13 -1.88 -3.46 132.00 122.45 1q53 h PRO 10 Ca 0.00 -0.11 -0.68 0.00 -0.87 0.00 0.00 66.00 64.34 1q53 h PRO 10 Cb 0.00 0.03 -0.24 0.00 0.13 0.00 0.00 31.00 30.92 1q53 h PRO 10 CO 0.00 0.83 -0.76 0.08 -0.23 0.00 0.00 178.00 177.92 1q53 s VAL 11 N -3.26 3.14 -0.09 1.56 1.01 -1.26 -4.85 120.40 116.65 1q53 s VAL 11 Ca -0.16 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1q53 s VAL 11 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1q53 s VAL 11 CO 0.72 0.57 -0.14 -0.54 0.00 0.00 0.00 175.10 175.71 1q53 s LYS 12 N -0.47 2.01 0.01 2.72 1.02 -1.17 -3.92 119.74 119.95 1q53 s LYS 12 Ca 0.06 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 1q53 s LYS 12 Cb -0.12 -1.70 -0.06 0.00 -0.52 0.00 0.00 37.83 35.43 1q53 s LYS 12 CO 0.02 -0.03 0.38 -1.58 -0.92 0.00 0.00 175.35 173.21 1q53 s HIS 13 N 0.89 3.67 -0.13 3.18 5.65 -1.15 -1.10 115.29 126.29 1q53 s HIS 13 Ca -0.09 0.87 -0.01 0.00 0.25 0.00 0.00 55.06 56.08 1q53 s HIS 13 Cb -0.15 -2.21 -0.02 0.00 -1.18 0.00 0.00 32.58 29.02 1q53 s HIS 13 CO 0.01 0.61 -0.10 0.08 -0.65 0.00 0.00 174.74 174.69 1q53 s VAL 14 N -1.18 3.36 -0.06 0.89 1.01 0.50 -2.73 120.40 122.19 1q53 s VAL 14 Ca 0.26 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1q53 s VAL 14 Cb -0.15 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1q53 s VAL 14 CO 0.14 0.52 -0.18 -0.22 0.00 0.00 0.00 175.10 175.36 1q53 s LEU 15 N 0.28 1.92 0.06 3.92 2.96 0.13 -0.20 118.68 127.75 1q53 s LEU 15 Ca -0.07 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1q53 s LEU 15 Cb -0.15 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 1q53 s LEU 15 CO 0.05 0.15 0.05 -0.76 -1.32 0.00 0.00 176.35 174.52 1q53 s LEU 16 N 0.14 3.71 -0.21 -0.68 2.01 -0.74 0.38 118.68 123.29 1q53 s LEU 16 Ca -0.07 -0.02 -0.27 0.00 0.01 0.00 0.00 54.13 53.78 1q53 s LEU 16 Cb -0.13 -2.34 0.07 0.00 0.01 0.00 0.00 46.19 43.80 1q53 s LEU 16 CO 0.03 0.20 0.72 0.00 1.01 0.00 0.00 176.35 178.31 1q53 s ALA 17 N -1.31 -1.78 -0.24 4.21 0.00 -1.26 -2.37 121.76 119.01 1q53 s ALA 17 Ca 0.27 1.84 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1q53 s ALA 17 Cb -0.12 -0.88 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1q53 s ALA 17 CO 0.19 -0.34 -0.02 0.45 0.00 0.00 0.00 175.76 176.03 1q53 s SER 18 N -0.04 3.78 -0.15 0.00 0.15 -1.12 -4.32 113.70 112.01 1q53 s SER 18 Ca -0.03 -1.22 -0.29 0.00 0.70 0.00 0.00 55.95 55.12 1q53 s SER 18 Cb -0.04 -1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1q53 s SER 18 CO 0.03 -0.27 1.93 -0.36 1.20 0.00 0.00 173.24 175.78 1q53 s PHE 19 N 1.45 1.53 0.99 3.44 0.08 -1.26 0.19 117.98 124.39 1q53 s PHE 19 Ca -0.03 0.25 -0.14 0.00 0.12 0.00 0.00 56.93 57.12 1q53 s PHE 19 Cb -0.18 -4.05 0.12 0.00 -0.57 0.00 0.00 43.02 38.34 1q53 s PHE 19 CO -0.08 -4.12 0.11 1.63 -0.10 0.00 0.00 175.22 172.66 1q53 n LYS 20 N 8.03 -1.85 -3.37 0.44 5.02 -1.26 -4.79 118.16 120.38 1q53 n LYS 20 Ca 0.23 -0.54 -0.45 0.00 -2.02 0.00 0.00 58.31 55.53 1q53 n LYS 20 Cb 0.44 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1q53 s ASP 21 N -1.82 6.10 0.00 4.39 2.15 -1.26 -4.25 116.67 121.99 1q53 s ASP 21 Ca 0.37 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.47 1q53 s ASP 21 Cb -0.05 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1q53 s ASP 21 CO 0.39 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 175.19 1q53 n GLY 22 N 5.09 0.42 3.73 2.66 0.00 -1.26 -5.13 105.19 110.70 1q53 n GLY 22 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1q53 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q53 s VAL 23 N 0.00 4.22 0.87 1.61 0.11 -1.26 -5.01 120.40 120.94 1q53 s VAL 23 Ca 0.00 1.81 -0.11 0.00 -2.93 0.00 0.00 61.98 60.76 1q53 s VAL 23 Cb 0.00 -4.16 0.12 0.00 -1.53 0.00 0.00 36.38 30.81 1q53 s VAL 23 CO 0.00 0.26 1.14 -0.44 -3.33 0.00 0.00 175.10 172.73 1q53 s SER 24 N 0.18 3.31 0.12 3.54 0.01 -1.26 -4.94 113.70 114.66 1q53 s SER 24 Ca 0.50 2.14 -0.08 0.00 1.31 0.00 0.00 55.95 59.82 1q53 s SER 24 Cb -0.26 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.30 1q53 s SER 24 CO 0.32 -2.84 1.30 1.55 0.41 0.00 0.00 173.24 173.97 1q53 h PRO 25 N -1.61 0.55 -0.33 12.44 0.13 -2.00 -3.07 132.00 138.11 1q53 h PRO 25 Ca -0.43 -0.54 0.08 0.00 -0.87 0.00 0.00 66.00 64.24 1q53 h PRO 25 Cb 1.26 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 1q53 h PRO 25 CO 0.44 1.16 0.23 1.05 -0.23 0.00 0.00 178.00 180.66 1q53 h GLU 26 N 0.34 0.08 -0.04 0.86 4.11 -2.00 0.11 114.58 118.05 1q53 h GLU 26 Ca -0.08 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.13 1q53 h GLU 26 Cb 1.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1q53 h GLU 26 CO 0.17 0.06 -0.86 -0.22 0.07 0.00 0.00 179.01 178.22 1q53 h LYS 27 N 0.09 0.45 0.05 1.06 1.63 -1.92 -1.89 116.57 116.03 1q53 h LYS 27 Ca 0.15 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1q53 h LYS 27 Cb 0.50 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1q53 h LYS 27 CO -0.01 1.08 -0.04 0.82 -3.45 0.00 0.00 179.45 177.84 1q53 h ILE 28 N 0.27 0.90 0.00 2.00 2.04 -0.72 0.34 117.51 122.34 1q53 h ILE 28 Ca -0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1q53 h ILE 28 Cb 1.47 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1q53 h ILE 28 CO 0.15 0.00 -0.28 1.05 0.00 0.00 0.00 178.15 179.07 1q53 h GLU 29 N -0.10 0.00 -0.19 2.37 4.11 -1.35 -2.65 114.58 116.77 1q53 h GLU 29 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 1q53 h GLU 29 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1q53 h GLU 29 CO -0.01 0.28 -0.14 0.93 0.07 0.00 0.00 179.01 180.14 1q53 h GLU 30 N 0.00 0.42 -0.67 1.06 4.39 -0.47 0.74 114.58 120.05 1q53 h GLU 30 Ca -0.00 -0.21 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1q53 h GLU 30 Cb 0.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1q53 h GLU 30 CO 0.04 0.76 0.45 -0.07 -1.16 0.00 0.00 179.01 179.02 1q53 h LEU 31 N 0.09 0.51 -0.02 1.33 3.38 -0.05 0.80 115.31 121.35 1q53 h LEU 31 Ca 0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1q53 h LEU 31 Cb 0.66 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1q53 h LEU 31 CO 0.04 0.31 -0.33 0.40 0.09 0.00 0.00 178.44 178.95 1q53 h ILE 32 N 0.57 1.48 -0.35 1.22 2.04 -1.27 -2.34 117.51 118.86 1q53 h ILE 32 Ca 0.31 -1.89 0.02 0.00 1.00 0.00 0.00 64.86 64.30 1q53 h ILE 32 Cb 0.45 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1q53 h ILE 32 CO -0.10 0.53 0.19 0.50 0.00 0.00 0.00 178.15 179.27 1q53 h LYS 33 N -0.32 0.38 -0.62 2.37 3.64 0.27 -1.49 116.57 120.80 1q53 h LYS 33 Ca -0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1q53 h LYS 33 Cb 1.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1q53 h LYS 33 CO 0.07 0.25 0.41 0.78 -2.27 0.00 0.00 179.45 178.69 1q53 h GLY 34 N 0.39 0.84 1.62 5.01 0.00 0.51 -1.01 103.07 110.44 1q53 h GLY 34 Ca 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1q53 h GLY 34 CO -0.08 0.27 0.08 -1.82 0.00 0.00 0.00 176.54 174.99 1q53 h TYR 35 N 0.75 0.49 -0.04 5.60 5.03 -0.71 0.23 116.97 128.32 1q53 h TYR 35 Ca 0.24 -0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 1q53 h TYR 35 Cb 0.04 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1q53 h TYR 35 CO -0.00 0.43 -0.43 0.00 -1.32 0.00 0.00 178.16 176.84 1q53 h ALA 36 N 1.61 1.21 0.11 1.82 0.00 -0.67 0.61 119.26 123.94 1q53 h ALA 36 Ca 0.11 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1q53 h ALA 36 Cb 0.19 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1q53 h ALA 36 CO -0.00 0.57 -0.90 -0.97 0.00 0.00 0.00 179.25 177.95 1q53 h ASN 37 N 0.08 0.60 -0.07 0.00 -0.73 -0.93 -1.67 115.58 112.86 1q53 h ASN 37 Ca 0.00 -0.87 -0.00 0.00 1.87 0.00 0.00 56.30 57.30 1q53 h ASN 37 Cb 0.80 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 1q53 h ASN 37 CO 0.06 1.42 0.04 -0.07 -0.37 0.00 0.00 177.43 178.51 1q53 h LEU 38 N -0.12 0.08 -1.54 0.34 4.07 -0.45 -0.98 115.31 116.71 1q53 h LEU 38 Ca -0.14 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 1q53 h LEU 38 Cb 1.65 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.36 1q53 h LEU 38 CO 0.17 0.10 -0.22 -0.37 -1.08 0.00 0.00 178.44 177.04 1q53 h VAL 39 N 0.06 1.16 0.00 1.22 -1.51 -0.97 0.19 116.25 116.40 1q53 h VAL 39 Ca 0.03 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1q53 h VAL 39 Cb 0.03 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1q53 h VAL 39 CO -0.00 0.22 0.00 -3.20 -1.23 0.00 0.00 177.57 173.36 1q53 n ASN 40 N -4.27 0.05 -0.12 4.19 5.15 -0.63 -3.42 115.26 116.21 1q53 n ASN 40 Ca -0.02 0.51 -0.22 0.00 -0.60 0.00 0.00 54.58 54.25 1q53 n ASN 40 Cb 0.28 -0.52 -0.07 0.00 -0.53 0.00 0.00 39.78 38.94 1q53 n ASN 40 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q53 n LEU 41 N -1.55 1.93 -4.52 1.20 4.77 0.31 -4.86 117.00 114.28 1q53 n LEU 41 Ca 0.05 0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 55.96 1q53 n LEU 41 Cb 0.24 -0.78 -0.07 0.00 -2.33 0.00 0.00 43.42 40.48 1q53 n LEU 41 CO 0.19 0.24 2.03 -0.38 -1.33 0.00 0.00 177.39 178.14 1q53 n ILE 42 N -4.32 0.01 -0.24 -0.08 2.08 0.38 -4.79 119.36 112.40 1q53 n ILE 42 Ca -0.38 -0.49 -0.02 0.00 0.56 0.00 0.00 62.75 62.42 1q53 n ILE 42 Cb 0.74 -2.02 0.05 0.00 -0.75 0.00 0.00 39.64 37.66 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1q53 h GLU 43 N 16.24 -0.07 -4.56 0.38 4.81 -1.89 -2.89 114.58 126.60 1q53 h GLU 43 Ca -0.21 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.38 1q53 h GLU 43 Cb 1.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1q53 h GLU 43 CO 1.18 -0.05 2.47 -0.35 -0.73 0.00 0.00 179.01 181.54 1q53 n PRO 44 N -5.46 2.20 -3.15 0.92 -0.04 -1.26 -4.66 135.00 123.54 1q53 n PRO 44 Ca 0.07 -2.35 0.05 0.00 -0.04 0.00 0.00 63.50 61.23 1q53 n PRO 44 Cb 0.37 -3.21 -0.01 0.00 -0.04 0.00 0.00 33.50 30.62 1q53 n PRO 44 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1q53 s MET 45 N 4.40 0.32 0.00 0.54 1.75 -1.09 -4.92 119.30 120.30 1q53 s MET 45 Ca 0.54 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 1q53 s MET 45 Cb 0.12 0.21 0.00 0.00 2.84 0.00 0.00 34.83 38.00 1q53 s MET 45 CO 0.04 -0.50 0.97 1.63 -0.65 0.00 0.00 175.02 176.51 1q53 n LYS 46 N 5.33 0.00 -3.56 4.11 4.01 -1.25 -4.91 118.16 121.89 1q53 n LYS 46 Ca 0.03 0.65 -0.11 0.00 -0.51 0.00 0.00 58.31 58.37 1q53 n LYS 46 Cb 0.55 -1.47 -0.05 0.00 -0.51 0.00 0.00 35.03 33.56 1q53 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q53 s ALA 47 N -3.30 -1.90 -0.05 7.82 0.00 -1.26 -5.04 121.76 118.03 1q53 s ALA 47 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1q53 s ALA 47 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1q53 s ALA 47 CO 0.00 -0.40 -0.17 0.12 0.00 0.00 0.00 175.76 175.32 1q53 s PHE 48 N -1.55 1.72 0.21 0.00 2.19 -1.26 -3.28 117.98 116.00 1q53 s PHE 48 Ca -0.01 -0.54 0.04 0.00 0.33 0.00 0.00 56.93 56.75 1q53 s PHE 48 Cb -0.01 -1.17 -0.05 0.00 -1.31 0.00 0.00 43.02 40.48 1q53 s PHE 48 CO 0.00 -0.20 -0.04 -3.38 1.83 0.00 0.00 175.22 173.43 1q53 s HIS 49 N 0.18 1.49 0.42 10.12 -3.43 -1.25 -4.91 115.29 117.91 1q53 s HIS 49 Ca -0.07 -0.86 0.06 0.00 -0.80 0.00 0.00 55.06 53.39 1q53 s HIS 49 Cb -0.13 -0.83 -0.07 0.00 -1.43 0.00 0.00 32.58 30.12 1q53 s HIS 49 CO 0.03 0.01 0.01 1.67 -2.00 0.00 0.00 174.74 174.47 1q53 s TRP 50 N -3.37 2.41 0.03 0.38 1.48 -1.26 -3.77 118.94 114.84 1q53 s TRP 50 Ca 0.25 -0.72 -0.26 0.00 -1.06 0.00 0.00 56.10 54.31 1q53 s TRP 50 Cb 0.05 -1.73 0.06 0.00 -1.16 0.00 0.00 33.47 30.69 1q53 s TRP 50 CO 0.06 0.40 0.60 0.20 -4.06 0.00 0.00 176.95 174.15 1q53 s GLY 51 N -3.72 -0.53 0.08 3.67 0.00 -1.25 -5.05 107.32 100.53 1q53 s GLY 51 Ca 0.32 0.85 0.10 0.00 0.00 0.00 0.00 44.72 45.99 1q53 s GLY 51 CO 0.16 0.52 -0.26 1.25 0.00 0.00 0.00 173.10 174.77 1q53 s LYS 52 N -2.22 1.65 0.45 2.90 2.20 -1.26 -3.70 119.74 119.76 1q53 s LYS 52 Ca -0.06 -1.21 -0.22 0.00 -0.36 0.00 0.00 55.97 54.12 1q53 s LYS 52 Cb -0.01 -1.96 -0.09 0.00 -1.51 0.00 0.00 37.83 34.27 1q53 s LYS 52 CO 0.00 0.49 1.05 0.16 -0.36 0.00 0.00 175.35 176.69 1q53 s ASP 53 N -1.60 6.50 -0.29 1.43 -4.77 -1.25 -5.02 116.67 111.66 1q53 s ASP 53 Ca 0.13 2.00 -0.09 0.00 -3.30 0.00 0.00 52.55 51.29 1q53 s ASP 53 Cb -0.10 -2.57 -0.01 0.00 -1.09 0.00 0.00 42.92 39.14 1q53 s ASP 53 CO 0.04 -0.67 0.13 0.68 0.70 0.00 0.00 175.17 176.05 1q53 s VAL 54 N -1.81 4.54 -0.26 2.11 -7.23 -1.26 -5.05 120.40 111.44 1q53 s VAL 54 Ca 0.63 -0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1q53 s VAL 54 Cb -0.20 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 1q53 s VAL 54 CO 0.24 0.15 1.63 -0.55 -0.31 0.00 0.00 175.10 176.27 1q53 s SER 55 N 1.62 6.28 -0.01 4.85 0.15 -1.26 -4.80 113.70 120.54 1q53 s SER 55 Ca 0.05 1.50 0.11 0.00 0.70 0.00 0.00 55.95 58.31 1q53 s SER 55 Cb -0.16 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.47 1q53 s SER 55 CO 0.06 -1.36 0.36 0.00 1.20 0.00 0.00 173.24 173.50 1q53 n ILE 56 N 6.65 0.00 0.00 6.45 0.13 -1.26 -4.83 119.36 126.50 1q53 n ILE 56 Ca 0.19 -0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 1q53 n ILE 56 Cb 0.46 0.64 0.00 0.00 -0.84 0.00 0.00 39.64 39.90 1q53 n ILE 56 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1q53 n GLU 57 N -1.56 0.00 -3.17 9.51 2.13 -1.26 -5.04 120.64 121.25 1q53 n GLU 57 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1q53 n GLU 57 Cb 0.23 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.95 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1q53 n ASN 58 N 0.00 -6.66 -3.42 4.31 2.85 -1.26 -4.98 115.26 106.10 1q53 n ASN 58 Ca 0.00 0.42 -0.24 0.00 -0.11 0.00 0.00 54.58 54.65 1q53 n ASN 58 Cb 0.00 -2.67 -0.10 0.00 1.24 0.00 0.00 39.78 38.24 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1q53 s LEU 59 N -1.73 0.58 0.04 1.20 1.02 -1.26 -5.11 118.68 113.41 1q53 s LEU 59 Ca 0.15 -1.96 -0.27 0.00 0.02 0.00 0.00 54.13 52.06 1q53 s LEU 59 Cb -0.02 -0.03 0.09 0.00 0.02 0.00 0.00 46.19 46.25 1q53 s LEU 59 CO 0.48 -0.29 0.85 -1.38 0.02 0.00 0.00 176.35 176.03 1q53 s HIS 60 N 1.20 -0.36 -0.12 0.29 -3.43 -1.26 -5.04 115.29 106.57 1q53 s HIS 60 Ca 0.18 0.20 0.20 0.00 -0.80 0.00 0.00 55.06 54.83 1q53 s HIS 60 Cb -0.20 0.55 -0.23 0.00 -1.43 0.00 0.00 32.58 31.27 1q53 s HIS 60 CO -0.00 -0.62 0.52 0.94 -2.00 0.00 0.00 174.74 173.58 1q53 n GLN 61 N -0.28 0.65 0.00 -0.38 -0.06 -1.26 -4.94 117.38 111.10 1q53 n GLN 61 Ca -0.10 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.89 1q53 n GLN 61 Cb 0.62 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 1q53 n GLN 61 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1q53 n GLY 62 N 1.41 0.26 0.13 1.69 0.00 -1.26 -5.06 105.19 102.36 1q53 n GLY 62 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1q53 n GLY 62 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1q53 h TYR 63 N 0.00 0.56 0.00 1.61 0.05 -1.92 -3.42 116.97 113.85 1q53 h TYR 63 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1q53 h TYR 63 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1q53 h TYR 63 CO 0.00 1.51 0.00 0.25 -1.05 0.00 0.00 178.16 178.87 1q53 n THR 64 N -3.50 0.00 -3.93 -2.88 -2.24 -1.26 -4.38 114.28 96.09 1q53 n THR 64 Ca -0.20 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1q53 n THR 64 Cb 1.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1q53 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q53 s HIS 65 N 0.00 0.28 -0.02 4.78 3.76 -1.26 -3.78 115.29 119.04 1q53 s HIS 65 Ca 0.00 -0.72 -0.01 0.00 -0.15 0.00 0.00 55.06 54.18 1q53 s HIS 65 Cb 0.00 0.45 0.01 0.00 1.11 0.00 0.00 32.58 34.15 1q53 s HIS 65 CO 0.00 -1.23 0.04 0.96 -0.85 0.00 0.00 174.74 173.66 1q53 s ILE 66 N -3.39 -0.02 -0.22 0.60 -5.25 -1.24 -3.98 121.20 107.70 1q53 s ILE 66 Ca 0.19 0.07 -0.09 0.00 -0.99 0.00 0.00 60.65 59.83 1q53 s ILE 66 Cb -0.03 -0.07 -0.04 0.00 2.95 0.00 0.00 42.46 45.26 1q53 s ILE 66 CO 0.11 0.03 0.12 -0.36 -1.79 0.00 0.00 174.94 173.05 1q53 s PHE 67 N 0.38 3.28 -0.05 1.37 0.08 0.16 -3.91 117.98 119.29 1q53 s PHE 67 Ca -0.03 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.19 1q53 s PHE 67 Cb -0.04 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1q53 s PHE 67 CO -0.01 0.06 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.75 1q53 s GLU 68 N 0.85 2.45 0.05 0.44 2.02 -1.25 0.22 118.70 123.49 1q53 s GLU 68 Ca 0.06 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.29 1q53 s GLU 68 Cb -0.13 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1q53 s GLU 68 CO 0.03 0.50 -0.23 0.45 0.02 0.00 0.00 175.26 176.02 1q53 s SER 69 N -0.44 2.82 -0.18 -0.19 0.15 -1.11 -3.75 113.70 111.01 1q53 s SER 69 Ca 0.05 -0.57 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 1q53 s SER 69 Cb -0.12 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1q53 s SER 69 CO 0.01 0.20 0.08 -0.89 1.20 0.00 0.00 173.24 173.85 1q53 s THR 70 N -0.82 4.96 0.08 6.45 2.01 -1.21 -2.95 115.64 124.17 1q53 s THR 70 Ca 0.10 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.19 1q53 s THR 70 Cb -0.09 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1q53 s THR 70 CO 0.02 0.48 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.89 1q53 s PHE 71 N 0.20 1.49 0.28 4.92 0.08 -1.25 -3.75 117.98 119.94 1q53 s PHE 71 Ca 0.06 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 1q53 s PHE 71 Cb -0.12 -0.83 0.39 0.00 -0.57 0.00 0.00 43.02 41.88 1q53 s PHE 71 CO -0.00 0.12 1.85 1.49 -0.10 0.00 0.00 175.22 178.58 1q53 h GLU 72 N 4.32 0.92 -1.85 0.44 4.81 -1.94 -3.41 114.58 117.87 1q53 h GLU 72 Ca -0.43 -0.16 0.28 0.00 -0.13 0.00 0.00 59.36 58.92 1q53 h GLU 72 Cb 1.18 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 1q53 h GLU 72 CO 0.41 0.76 0.73 0.45 -0.73 0.00 0.00 179.01 180.62 1q53 s SER 73 N -6.50 -0.07 0.45 1.04 0.15 -1.26 -4.82 113.70 102.69 1q53 s SER 73 Ca -0.10 -0.26 0.12 0.00 0.70 0.00 0.00 55.95 56.40 1q53 s SER 73 Cb 0.16 0.28 1.02 0.00 -1.71 0.00 0.00 66.02 65.76 1q53 s SER 73 CO 0.80 -0.52 2.06 0.07 1.20 0.00 0.00 173.24 176.85 1q53 h LYS 74 N 2.00 0.20 -0.63 5.44 2.10 -1.98 -0.71 116.57 122.99 1q53 h LYS 74 Ca -0.28 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.28 1q53 h LYS 74 Cb 1.21 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 1q53 h LYS 74 CO 0.29 0.20 0.13 0.93 -2.00 0.00 0.00 179.45 179.00 1q53 h GLU 75 N 0.20 1.01 -0.08 0.07 5.08 -2.00 -2.40 114.58 116.46 1q53 h GLU 75 Ca 0.05 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1q53 h GLU 75 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 75 CO -0.00 0.91 -0.67 0.00 -1.00 0.00 0.00 179.01 178.25 1q53 h ALA 76 N 1.18 0.72 -0.34 3.43 0.00 -1.61 -2.75 119.26 119.88 1q53 h ALA 76 Ca 0.20 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1q53 h ALA 76 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1q53 h ALA 76 CO 0.00 0.75 0.36 0.28 0.00 0.00 0.00 179.25 180.65 1q53 h VAL 77 N 0.23 0.43 -0.10 0.00 2.07 -0.66 0.26 116.25 118.48 1q53 h VAL 77 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1q53 h VAL 77 Cb 1.21 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1q53 h VAL 77 CO 0.11 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.36 1q53 h ALA 78 N 1.60 0.18 -0.74 1.67 0.00 -1.37 -1.46 119.26 119.14 1q53 h ALA 78 Ca 0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1q53 h ALA 78 Cb 0.88 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1q53 h ALA 78 CO -0.00 0.24 0.38 1.49 0.00 0.00 0.00 179.25 181.36 1q53 h GLU 79 N -0.03 1.04 -0.09 0.00 4.57 -0.61 0.29 114.58 119.75 1q53 h GLU 79 Ca -0.01 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1q53 h GLU 79 Cb 0.97 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1q53 h GLU 79 CO 0.07 0.79 -0.01 -0.92 -1.18 0.00 0.00 179.01 177.75 1q53 h TYR 80 N 1.04 0.18 0.00 0.92 3.20 -1.10 -2.54 116.97 118.68 1q53 h TYR 80 Ca 0.26 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1q53 h TYR 80 Cb 0.07 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1q53 h TYR 80 CO 0.01 0.46 0.00 0.82 -1.64 0.00 0.00 178.16 177.81 1q53 h ILE 81 N -0.15 0.00 -0.53 1.81 2.04 -0.99 -1.41 117.51 118.28 1q53 h ILE 81 Ca 0.02 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1q53 h ILE 81 Cb 0.40 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1q53 h ILE 81 CO 0.01 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 1q53 n ALA 82 N -1.97 3.91 -2.83 1.87 0.00 0.98 -4.88 120.51 117.59 1q53 n ALA 82 Ca 0.01 -1.67 -0.34 0.00 0.00 0.00 0.00 53.44 51.44 1q53 n ALA 82 Cb 0.26 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1q53 n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1q53 s HIS 83 N -2.41 3.14 0.12 0.00 5.04 -0.53 -4.97 115.29 115.67 1q53 s HIS 83 Ca 0.43 -0.02 -0.08 0.00 -1.54 0.00 0.00 55.06 53.84 1q53 s HIS 83 Cb 0.33 -1.93 -0.12 0.00 0.04 0.00 0.00 32.58 30.90 1q53 s HIS 83 CO 0.11 0.19 1.30 -1.00 -2.34 0.00 0.00 174.74 173.00 1q53 h PRO 84 N 6.17 0.56 -0.40 2.88 0.13 -1.89 -1.67 132.00 137.78 1q53 h PRO 84 Ca -0.39 -0.55 0.05 0.00 -0.87 0.00 0.00 66.00 64.24 1q53 h PRO 84 Cb 1.18 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1q53 h PRO 84 CO 0.62 1.17 0.13 0.00 -0.23 0.00 0.00 178.00 179.70 1q53 h ALA 85 N 0.65 0.47 -0.41 -0.56 0.00 -1.95 1.11 119.26 118.58 1q53 h ALA 85 Ca -0.08 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1q53 h ALA 85 Cb 1.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1q53 h ALA 85 CO 0.17 -0.26 -0.32 1.25 0.00 0.00 0.00 179.25 180.09 1q53 h HIS 86 N 0.29 1.08 -0.37 0.00 -0.00 -1.87 -2.09 115.15 112.19 1q53 h HIS 86 Ca 0.19 -0.30 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 1q53 h HIS 86 Cb 0.17 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1q53 h HIS 86 CO -0.15 1.11 0.19 0.28 -0.00 0.00 0.00 177.93 179.35 1q53 h VAL 87 N 0.76 1.15 -0.51 5.26 2.07 -0.34 0.47 116.25 125.12 1q53 h VAL 87 Ca 0.08 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1q53 h VAL 87 Cb 0.90 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1q53 h VAL 87 CO 0.08 0.16 0.26 -0.08 0.02 0.00 0.00 177.57 178.02 1q53 h GLU 88 N 0.46 0.50 -0.34 1.57 4.57 0.14 -0.12 114.58 121.36 1q53 h GLU 88 Ca 0.13 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1q53 h GLU 88 Cb 0.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1q53 h GLU 88 CO -0.02 0.33 -0.09 0.35 -1.18 0.00 0.00 179.01 178.40 1q53 h PHE 89 N 0.51 0.75 -0.78 0.92 3.57 -1.00 -2.06 116.94 118.86 1q53 h PHE 89 Ca 0.22 -0.17 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1q53 h PHE 89 Cb 0.12 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 1q53 h PHE 89 CO -0.10 0.84 0.42 0.00 -2.23 0.00 0.00 178.31 177.24 1q53 h ALA 90 N 0.81 1.10 -0.45 2.41 0.00 0.42 1.30 119.26 124.84 1q53 h ALA 90 Ca 0.08 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1q53 h ALA 90 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1q53 h ALA 90 CO 0.04 0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.45 1q53 h THR 91 N 0.71 1.24 -0.00 0.00 2.02 -0.86 0.49 112.91 116.50 1q53 h THR 91 Ca 0.38 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 66.39 1q53 h THR 91 Cb 0.37 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1q53 h THR 91 CO -0.26 0.35 -0.81 0.40 0.37 0.00 0.00 175.52 175.57 1q53 h ILE 92 N 0.70 1.51 0.01 3.11 1.08 -0.20 -2.42 117.51 121.30 1q53 h ILE 92 Ca 0.14 -2.58 -0.00 0.00 -0.39 0.00 0.00 64.86 62.03 1q53 h ILE 92 Cb 0.45 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 1q53 h ILE 92 CO 0.02 0.74 -0.00 0.15 -0.69 0.00 0.00 178.15 178.37 1q53 h PHE 93 N 0.07 -0.01 -0.33 1.37 3.57 0.21 -2.21 116.94 119.61 1q53 h PHE 93 Ca -0.02 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1q53 h PHE 93 Cb 1.41 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 1q53 h PHE 93 CO 0.02 0.68 0.23 1.37 -2.23 0.00 0.00 178.31 178.37 1q53 h LEU 94 N -0.72 0.22 -0.56 0.59 8.10 -0.10 0.66 115.31 123.51 1q53 h LEU 94 Ca -0.00 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 1q53 h LEU 94 Cb 0.70 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.86 1q53 h LEU 94 CO 0.00 0.15 -0.31 1.23 -4.11 0.00 0.00 178.44 175.40 1q53 h GLY 95 N 0.25 0.00 0.82 0.17 0.00 -1.42 -3.22 103.07 99.67 1q53 h GLY 95 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.12 1q53 h GLY 95 CO -0.03 0.00 -1.83 1.76 0.00 0.00 0.00 176.54 176.44 1q53 h SER 96 N 0.00 0.50 -3.40 0.19 0.02 0.03 -3.46 113.55 107.43 1q53 h SER 96 Ca -0.00 -0.88 -0.55 0.00 -0.84 0.00 0.00 61.79 59.53 1q53 h SER 96 Cb 1.02 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1q53 h SER 96 CO 0.04 1.76 -0.04 -0.76 -1.14 0.00 0.00 176.83 176.69 1q53 s LEU 97 N -7.12 4.32 0.03 5.07 2.01 0.20 -4.15 118.68 119.03 1q53 s LEU 97 Ca -0.18 1.15 -0.16 0.00 0.01 0.00 0.00 54.13 54.95 1q53 s LEU 97 Cb 0.06 -3.39 -0.08 0.00 0.01 0.00 0.00 46.19 42.78 1q53 s LEU 97 CO 0.82 0.07 1.24 -0.78 1.01 0.00 0.00 176.35 178.71 1q53 h ASP 98 N 3.42 -0.54 -2.18 2.29 1.82 0.18 -3.44 116.42 117.97 1q53 h ASP 98 Ca -0.48 0.03 -0.60 0.00 -0.39 0.00 0.00 57.03 55.59 1q53 h ASP 98 Cb 1.19 0.16 -0.13 0.00 0.68 0.00 0.00 39.33 41.23 1q53 h ASP 98 CO 0.66 -0.33 -0.73 -1.59 -1.61 0.00 0.00 179.24 175.64 1q53 s LYS 99 N -4.25 1.81 -0.21 0.28 -2.85 -1.24 -4.95 119.74 108.33 1q53 s LYS 99 Ca -0.08 -1.72 -0.09 0.00 -1.00 0.00 0.00 55.97 53.08 1q53 s LYS 99 Cb 0.01 -1.84 0.08 0.00 -2.06 0.00 0.00 37.83 34.03 1q53 s LYS 99 CO 0.26 0.32 0.47 0.54 0.10 0.00 0.00 175.35 177.03 1q53 s VAL 100 N -2.48 -0.44 -0.03 1.79 0.11 -1.26 -2.80 120.40 115.29 1q53 s VAL 100 Ca 0.31 0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1q53 s VAL 100 Cb -0.05 -0.72 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1q53 s VAL 100 CO 0.16 0.05 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.13 1q53 s LEU 101 N 2.18 1.75 -0.26 2.54 2.01 -1.00 -5.00 118.68 120.91 1q53 s LEU 101 Ca -0.05 -0.19 -0.12 0.00 0.01 0.00 0.00 54.13 53.77 1q53 s LEU 101 Cb -0.10 -0.57 -0.05 0.00 0.01 0.00 0.00 46.19 45.49 1q53 s LEU 101 CO -0.14 0.06 0.24 0.68 1.01 0.00 0.00 176.35 178.19 1q53 s VAL 102 N 0.27 5.29 -0.02 -1.59 -7.23 -1.26 -1.80 120.40 114.07 1q53 s VAL 102 Ca -0.04 0.31 0.02 0.00 -1.81 0.00 0.00 61.98 60.45 1q53 s VAL 102 Cb -0.09 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.28 1q53 s VAL 102 CO 0.01 0.27 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.38 1q53 s ILE 103 N 1.52 0.51 -0.11 -0.62 -1.09 0.72 -5.03 121.20 117.10 1q53 s ILE 103 Ca 0.10 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.20 1q53 s ILE 103 Cb -0.15 -0.47 -0.05 0.00 -1.58 0.00 0.00 42.46 40.22 1q53 s ILE 103 CO 0.08 0.17 0.23 -0.62 -1.23 0.00 0.00 174.94 173.57 1q53 s ASP 104 N 0.24 6.47 -0.26 3.58 -1.08 -1.26 0.19 116.67 124.55 1q53 s ASP 104 Ca -0.03 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1q53 s ASP 104 Cb -0.07 -2.14 0.05 0.00 -1.46 0.00 0.00 42.92 39.30 1q53 s ASP 104 CO -0.00 0.30 -0.07 -0.47 0.52 0.00 0.00 175.17 175.44 1q53 s TYR 105 N -0.56 3.19 -0.05 -5.34 5.04 -0.26 -4.81 117.35 114.57 1q53 s TYR 105 Ca 0.16 -1.99 0.04 0.00 -2.44 0.00 0.00 57.07 52.85 1q53 s TYR 105 Cb -0.13 -2.01 -0.00 0.00 0.35 0.00 0.00 41.96 40.17 1q53 s TYR 105 CO 0.05 -0.82 -0.17 0.21 -1.34 0.00 0.00 175.55 173.48 1q53 s LYS 106 N 1.21 1.88 -0.83 4.97 2.20 -1.26 -3.02 119.74 124.88 1q53 s LYS 106 Ca -0.05 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.70 1q53 s LYS 106 Cb -0.19 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1q53 s LYS 106 CO -0.04 0.22 1.63 -1.25 -0.36 0.00 0.00 175.35 175.55 1q53 s PRO 107 N 0.13 3.00 -1.05 4.03 0.04 -1.26 -4.90 135.00 134.99 1q53 s PRO 107 Ca -0.06 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 60.62 1q53 s PRO 107 Cb -0.13 -4.78 0.28 0.00 0.04 0.00 0.00 34.50 29.91 1q53 s PRO 107 CO 0.03 -2.62 1.15 2.41 0.04 0.00 0.00 177.00 178.00 1q53 n THR 108 N 7.10 4.43 -2.57 1.26 -1.04 -1.26 -5.04 114.28 117.17 1q53 n THR 108 Ca 0.25 -5.48 -0.32 0.00 -2.04 0.00 0.00 64.05 56.45 1q53 n THR 108 Cb 0.50 -2.40 -0.05 0.00 -1.82 0.00 0.00 70.33 66.56 1q53 n THR 108 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1q53 s SER 109 N 0.08 6.75 -0.04 8.00 0.15 -1.26 -5.06 113.70 122.32 1q53 s SER 109 Ca 0.31 1.62 -0.04 0.00 0.70 0.00 0.00 55.95 58.54 1q53 s SER 109 Cb -0.05 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1q53 s SER 109 CO -0.04 -0.50 0.16 -0.69 1.20 0.00 0.00 173.24 173.38 1q53 s VAL 110 N -2.45 5.38 -0.01 4.45 1.01 -1.26 -5.05 120.40 122.47 1q53 s VAL 110 Ca 0.60 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1q53 s VAL 110 Cb -0.10 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1q53 s VAL 110 CO 0.24 0.42 1.41 -0.94 0.00 0.00 0.00 175.10 176.23 1q53 s SER 111 N -1.64 6.84 0.00 3.32 1.04 -1.26 -5.34 113.70 116.66 1q53 s SER 111 Ca 0.23 2.10 0.14 0.00 0.48 0.00 0.00 55.95 58.90 1q53 s SER 111 Cb -0.12 -2.56 0.84 0.00 0.10 0.00 0.00 66.02 64.28 1q53 s SER 111 CO 0.14 -0.74 1.26 0.18 0.98 0.00 0.00 173.24 175.06