#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 -8.93 -4.73 1.61 7.64 -1.26 -5.05 113.62 102.90 1q53 n SER 2 Ca 0.00 1.25 -0.30 0.00 1.01 0.00 0.00 58.87 60.83 1q53 n SER 2 Cb 0.00 -4.65 -0.08 0.00 -1.01 0.00 0.00 64.21 58.47 1q53 n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1q53 s HIS 3 N -2.07 2.11 -1.10 1.43 3.76 -1.26 -5.05 115.29 113.11 1q53 s HIS 3 Ca 0.00 -0.82 -0.22 0.00 -0.15 0.00 0.00 55.06 53.87 1q53 s HIS 3 Cb 0.00 -1.73 0.04 0.00 1.11 0.00 0.00 32.58 32.01 1q53 s HIS 3 CO 0.00 0.22 1.60 -1.64 -0.85 0.00 0.00 174.74 174.07 1q53 s MET 4 N -3.87 3.57 0.03 1.40 1.00 -1.26 -4.92 119.30 115.25 1q53 s MET 4 Ca 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 55.69 54.60 1q53 s MET 4 Cb 0.04 -5.38 -0.02 0.00 0.00 0.00 0.00 34.83 29.47 1q53 s MET 4 CO 0.11 -2.40 -0.04 -2.00 0.00 0.00 0.00 175.02 170.69 1q53 s GLU 5 N 5.00 0.36 -0.30 2.03 2.12 -1.26 -5.12 118.70 121.53 1q53 s GLU 5 Ca 0.51 -0.66 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1q53 s GLU 5 Cb 0.01 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.45 1q53 s GLU 5 CO -0.03 -0.04 1.18 -1.83 -0.54 0.00 0.00 175.26 174.00 1q53 s GLU 6 N -1.59 4.01 -0.16 4.30 1.03 -1.26 -4.96 118.70 120.08 1q53 s GLU 6 Ca -0.14 1.18 -0.31 0.00 0.03 0.00 0.00 54.97 55.73 1q53 s GLU 6 Cb -0.09 -3.80 0.14 0.00 -0.80 0.00 0.00 34.13 29.58 1q53 s GLU 6 CO -0.01 -0.98 1.09 0.00 -1.33 0.00 0.00 175.26 174.02 1q53 s ALA 7 N 3.94 -1.98 0.00 -0.84 0.00 -1.26 -4.98 121.76 116.64 1q53 s ALA 7 Ca 0.50 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1q53 s ALA 7 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1q53 s ALA 7 CO 0.19 -0.45 0.00 1.17 0.00 0.00 0.00 175.76 176.67 1q53 n LYS 8 N 0.29 0.00 -1.94 0.00 4.81 -1.26 -4.94 118.16 115.13 1q53 n LYS 8 Ca -0.06 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.12 1q53 n LYS 8 Cb 0.59 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.82 1q53 n LYS 8 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q53 n GLY 9 N 0.00 -1.09 1.34 3.14 0.00 -1.26 -4.69 105.19 102.63 1q53 n GLY 9 Ca 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 1q53 n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q53 n PRO 10 N -3.51 -1.11 -3.75 1.61 -0.04 -1.26 -5.11 135.00 121.83 1q53 n PRO 10 Ca 0.16 -0.69 -0.37 0.00 -0.04 0.00 0.00 63.50 62.56 1q53 n PRO 10 Cb 0.55 -0.54 -0.06 0.00 -0.04 0.00 0.00 33.50 33.41 1q53 n PRO 10 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q53 s VAL 11 N -1.89 5.37 -0.26 0.52 1.01 -1.25 -4.83 120.40 119.07 1q53 s VAL 11 Ca 0.27 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 1q53 s VAL 11 Cb -0.02 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1q53 s VAL 11 CO 0.19 0.57 0.06 -0.75 0.00 0.00 0.00 175.10 175.18 1q53 s LYS 12 N -0.76 3.52 -0.12 2.72 2.20 -0.92 -3.76 119.74 122.63 1q53 s LYS 12 Ca 0.16 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 1q53 s LYS 12 Cb -0.13 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1q53 s LYS 12 CO 0.05 -0.24 0.28 -1.58 -0.36 0.00 0.00 175.35 173.50 1q53 s HIS 13 N 1.58 3.55 -0.10 4.03 5.65 -1.24 0.15 115.29 128.92 1q53 s HIS 13 Ca 0.06 0.66 0.03 0.00 0.25 0.00 0.00 55.06 56.06 1q53 s HIS 13 Cb -0.15 -2.24 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 1q53 s HIS 13 CO 0.03 0.44 -0.19 0.08 -0.65 0.00 0.00 174.74 174.44 1q53 s VAL 14 N -0.20 2.50 -0.02 0.89 1.01 0.52 -3.36 120.40 121.75 1q53 s VAL 14 Ca 0.17 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1q53 s VAL 14 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1q53 s VAL 14 CO 0.06 0.55 -0.06 -0.22 0.00 0.00 0.00 175.10 175.43 1q53 s LEU 15 N 0.18 1.77 -0.12 3.92 0.20 0.19 0.18 118.68 125.00 1q53 s LEU 15 Ca -0.11 -0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.60 1q53 s LEU 15 Cb -0.16 -0.38 0.01 0.00 -0.43 0.00 0.00 46.19 45.24 1q53 s LEU 15 CO 0.06 0.03 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.23 1q53 s LEU 16 N 0.22 1.78 0.01 -0.68 1.02 -0.99 0.15 118.68 120.20 1q53 s LEU 16 Ca -0.03 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.69 1q53 s LEU 16 Cb -0.07 -1.15 -0.01 0.00 0.02 0.00 0.00 46.19 44.98 1q53 s LEU 16 CO -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 176.35 176.32 1q53 s ALA 17 N 0.99 0.55 0.01 4.21 0.00 -1.25 -2.11 121.76 124.16 1q53 s ALA 17 Ca -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1q53 s ALA 17 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1q53 s ALA 17 CO -0.02 0.09 -0.15 0.45 0.00 0.00 0.00 175.76 176.13 1q53 s SER 18 N -0.56 4.03 -0.35 0.00 0.15 -0.98 -4.37 113.70 111.62 1q53 s SER 18 Ca -0.01 -0.30 -0.19 0.00 0.70 0.00 0.00 55.95 56.15 1q53 s SER 18 Cb -0.05 -0.78 -0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1q53 s SER 18 CO 0.00 0.29 0.57 -0.36 1.20 0.00 0.00 173.24 174.94 1q53 s PHE 19 N -0.88 3.17 1.00 3.44 0.40 -1.26 -0.91 117.98 122.94 1q53 s PHE 19 Ca 0.14 0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.53 1q53 s PHE 19 Cb -0.11 -3.02 -0.13 0.00 0.51 0.00 0.00 43.02 40.27 1q53 s PHE 19 CO 0.04 -0.58 -0.89 1.63 0.70 0.00 0.00 175.22 176.13 1q53 n LYS 20 N 5.88 -0.15 -2.55 0.44 4.76 -1.25 -4.83 118.16 120.46 1q53 n LYS 20 Ca -0.03 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 1q53 n LYS 20 Cb 0.49 -1.14 -0.03 0.00 -1.84 0.00 0.00 35.03 32.51 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1q53 s ASP 21 N -1.16 7.25 0.00 4.39 2.15 -1.26 -3.61 116.67 124.42 1q53 s ASP 21 Ca 0.41 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1q53 s ASP 21 Cb -0.08 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1q53 s ASP 21 CO 0.74 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 176.05 1q53 n GLY 22 N 2.68 1.42 3.66 2.66 0.00 -1.26 -5.09 105.19 109.27 1q53 n GLY 22 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1q53 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q53 s VAL 23 N -2.00 5.20 0.72 1.61 1.01 -1.24 -5.07 120.40 120.63 1q53 s VAL 23 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1q53 s VAL 23 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1q53 s VAL 23 CO 0.00 0.25 1.07 -0.44 0.00 0.00 0.00 175.10 175.98 1q53 s SER 24 N 1.09 5.07 0.13 3.32 0.01 -1.26 -4.97 113.70 117.08 1q53 s SER 24 Ca 0.18 1.73 -0.05 0.00 1.31 0.00 0.00 55.95 59.11 1q53 s SER 24 Cb -0.15 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1q53 s SER 24 CO 0.08 -1.66 1.33 1.55 0.41 0.00 0.00 173.24 174.95 1q53 h PRO 25 N -0.76 0.48 -0.05 12.44 0.13 -2.00 -3.05 132.00 139.19 1q53 h PRO 25 Ca -0.44 -0.47 0.01 0.00 -0.87 0.00 0.00 66.00 64.24 1q53 h PRO 25 Cb 1.22 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1q53 h PRO 25 CO 0.55 1.11 0.04 1.49 -0.23 0.00 0.00 178.00 180.96 1q53 h GLU 26 N 0.29 0.00 0.02 0.86 4.81 -1.99 -0.54 114.58 118.02 1q53 h GLU 26 Ca -0.07 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.89 1q53 h GLU 26 Cb 1.50 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.91 1q53 h GLU 26 CO 0.16 0.00 -1.07 0.87 -0.73 0.00 0.00 179.01 178.24 1q53 h LYS 27 N 0.00 0.70 0.01 1.92 1.57 -1.93 -1.66 116.57 117.18 1q53 h LYS 27 Ca 0.02 -0.77 0.01 0.00 -1.87 0.00 0.00 60.65 58.05 1q53 h LYS 27 Cb 0.11 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1q53 h LYS 27 CO -0.00 1.34 -0.09 0.82 -0.57 0.00 0.00 179.45 180.95 1q53 h ILE 28 N 0.38 0.77 -0.39 1.86 2.04 -1.03 0.35 117.51 121.48 1q53 h ILE 28 Ca -0.14 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1q53 h ILE 28 Cb 1.73 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1q53 h ILE 28 CO 0.21 0.00 0.02 1.05 0.00 0.00 0.00 178.15 179.43 1q53 h GLU 29 N -0.16 0.61 -0.24 2.37 4.11 -1.38 -0.68 114.58 119.21 1q53 h GLU 29 Ca 0.03 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1q53 h GLU 29 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1q53 h GLU 29 CO -0.08 0.62 0.08 0.93 0.07 0.00 0.00 179.01 180.62 1q53 h GLU 30 N 0.59 0.37 -0.26 1.06 4.39 -0.45 0.82 114.58 121.10 1q53 h GLU 30 Ca 0.13 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1q53 h GLU 30 Cb 0.34 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1q53 h GLU 30 CO 0.01 0.45 0.13 -0.07 -1.16 0.00 0.00 179.01 178.36 1q53 h LEU 31 N 0.22 0.34 -1.20 1.33 4.07 -0.02 0.29 115.31 120.34 1q53 h LEU 31 Ca 0.08 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1q53 h LEU 31 Cb 0.23 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1q53 h LEU 31 CO -0.00 0.37 -0.15 0.40 -1.08 0.00 0.00 178.44 177.97 1q53 h ILE 32 N 0.29 1.22 -0.13 1.22 2.04 -0.97 -0.72 117.51 120.46 1q53 h ILE 32 Ca 0.09 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1q53 h ILE 32 Cb 0.12 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1q53 h ILE 32 CO -0.01 0.31 -0.02 0.11 0.00 0.00 0.00 178.15 178.54 1q53 h LYS 33 N 0.35 0.24 -0.45 2.37 1.79 0.14 -2.86 116.57 118.14 1q53 h LYS 33 Ca 0.07 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1q53 h LYS 33 Cb 0.47 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1q53 h LYS 33 CO 0.03 0.51 0.30 0.78 -1.08 0.00 0.00 179.45 179.98 1q53 h GLY 34 N -0.05 0.64 -0.10 3.86 0.00 -0.11 -2.64 103.07 104.67 1q53 h GLY 34 Ca 0.03 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 47.25 1q53 h GLY 34 CO 0.01 0.23 -0.05 -0.97 0.00 0.00 0.00 176.54 175.76 1q53 h TYR 35 N 0.61 -0.13 -0.96 5.60 0.05 -1.07 1.49 116.97 122.55 1q53 h TYR 35 Ca 0.17 0.05 0.08 0.00 0.05 0.00 0.00 58.73 59.07 1q53 h TYR 35 Cb -0.07 0.15 -0.07 0.00 1.01 0.00 0.00 36.73 37.75 1q53 h TYR 35 CO -0.04 -0.20 0.62 0.00 -1.05 0.00 0.00 178.16 177.49 1q53 h ALA 36 N 1.57 1.49 -0.14 3.88 0.00 -1.24 0.79 119.26 125.61 1q53 h ALA 36 Ca 0.31 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1q53 h ALA 36 Cb 0.49 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1q53 h ALA 36 CO -0.55 0.34 -0.76 -0.97 0.00 0.00 0.00 179.25 177.30 1q53 h ASN 37 N 1.06 0.91 -0.60 0.00 -0.73 -0.05 -2.78 115.58 113.39 1q53 h ASN 37 Ca 0.43 -0.64 -0.04 0.00 1.87 0.00 0.00 56.30 57.93 1q53 h ASN 37 Cb 0.28 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 1q53 h ASN 37 CO -0.18 1.40 0.25 -0.07 -0.37 0.00 0.00 177.43 178.46 1q53 h LEU 38 N 0.49 0.85 -1.30 0.34 4.07 0.32 -0.10 115.31 119.97 1q53 h LEU 38 Ca -0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 1q53 h LEU 38 Cb 1.40 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.90 1q53 h LEU 38 CO 0.16 0.76 0.12 0.58 -1.08 0.00 0.00 178.44 178.98 1q53 h VAL 39 N 0.91 1.18 -0.01 1.22 2.07 0.61 1.05 116.25 123.27 1q53 h VAL 39 Ca 0.21 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 1q53 h VAL 39 Cb 0.18 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1q53 h VAL 39 CO -0.02 0.22 -0.73 -1.13 0.02 0.00 0.00 177.57 175.93 1q53 h ASN 40 N 0.59 0.12 0.05 0.57 -1.24 -0.97 -3.28 115.58 111.42 1q53 h ASN 40 Ca 0.14 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1q53 h ASN 40 Cb 0.19 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1q53 h ASN 40 CO -0.01 0.81 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.84 1q53 h LEU 41 N 0.06 -0.06 -8.50 0.34 4.07 0.19 -3.42 115.31 108.00 1q53 h LEU 41 Ca -0.02 -0.55 -0.37 0.00 0.08 0.00 0.00 57.88 57.02 1q53 h LEU 41 Cb 1.29 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 1q53 h LEU 41 CO 0.10 0.66 1.33 -0.38 -1.08 0.00 0.00 178.44 179.07 1q53 n ILE 42 N -4.76 -0.06 0.04 1.22 5.41 0.35 -4.80 119.36 116.76 1q53 n ILE 42 Ca -0.07 -0.68 -0.11 0.00 1.00 0.00 0.00 62.75 62.89 1q53 n ILE 42 Cb 0.30 -2.43 -0.04 0.00 -0.71 0.00 0.00 39.64 36.76 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1q53 h GLU 43 N 17.56 -0.29 -6.13 0.38 4.22 -1.82 -3.36 114.58 125.14 1q53 h GLU 43 Ca -0.17 0.02 -0.51 0.00 0.08 0.00 0.00 59.36 58.78 1q53 h GLU 43 Cb 1.22 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1q53 h GLU 43 CO 1.15 -0.19 1.19 -1.25 -2.18 0.00 0.00 179.01 177.73 1q53 s PRO 44 N -6.11 2.94 -0.30 0.92 0.04 -1.26 -4.82 135.00 126.41 1q53 s PRO 44 Ca -0.15 0.03 -0.09 0.00 0.04 0.00 0.00 61.00 60.83 1q53 s PRO 44 Cb 0.09 -4.43 0.19 0.00 0.04 0.00 0.00 34.50 30.39 1q53 s PRO 44 CO 0.67 -2.49 1.00 1.41 0.04 0.00 0.00 177.00 177.62 1q53 s MET 45 N 6.31 0.20 0.13 4.56 1.75 -1.26 -4.89 119.30 126.10 1q53 s MET 45 Ca 0.52 0.15 -0.32 0.00 -1.25 0.00 0.00 55.69 54.79 1q53 s MET 45 Cb -0.09 0.08 -0.09 0.00 2.84 0.00 0.00 34.83 37.57 1q53 s MET 45 CO 0.14 -0.35 1.56 -0.22 -0.65 0.00 0.00 175.02 175.49 1q53 h LYS 46 N 7.10 -0.44 -2.20 4.11 1.63 -1.82 -3.45 116.57 121.49 1q53 h LYS 46 Ca -0.08 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1q53 h LYS 46 Cb 1.18 0.10 -0.17 0.00 -0.60 0.00 0.00 32.23 32.74 1q53 h LYS 46 CO -0.07 -0.30 0.41 0.00 -3.45 0.00 0.00 179.45 176.05 1q53 s ALA 47 N -5.74 -1.80 -0.20 5.00 0.00 -1.25 -5.03 121.76 112.75 1q53 s ALA 47 Ca -0.15 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1q53 s ALA 47 Cb 0.09 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1q53 s ALA 47 CO 0.62 -0.57 -0.16 0.12 0.00 0.00 0.00 175.76 175.78 1q53 s PHE 48 N -2.48 2.87 -0.01 0.00 5.36 -1.26 -1.36 117.98 121.10 1q53 s PHE 48 Ca 0.00 -1.60 0.04 0.00 -0.96 0.00 0.00 56.93 54.41 1q53 s PHE 48 Cb -0.01 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 1q53 s PHE 48 CO -0.04 -0.77 -0.10 -1.01 -1.46 0.00 0.00 175.22 171.83 1q53 s HIS 49 N 1.30 2.80 0.04 10.12 3.76 -0.97 -5.05 115.29 127.31 1q53 s HIS 49 Ca 0.03 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1q53 s HIS 49 Cb -0.14 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 1q53 s HIS 49 CO -0.10 0.31 -0.06 1.67 -0.85 0.00 0.00 174.74 175.71 1q53 s TRP 50 N -0.92 0.56 0.15 1.40 1.48 -1.26 -3.29 118.94 117.06 1q53 s TRP 50 Ca 0.15 -0.59 -0.14 0.00 -1.06 0.00 0.00 56.10 54.46 1q53 s TRP 50 Cb -0.11 -0.35 0.02 0.00 -1.16 0.00 0.00 33.47 31.87 1q53 s TRP 50 CO 0.05 -0.14 0.39 0.20 -4.06 0.00 0.00 176.95 173.38 1q53 s GLY 51 N -1.79 0.03 0.00 3.67 0.00 -1.26 -5.08 107.32 102.88 1q53 s GLY 51 Ca -0.08 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1q53 s GLY 51 CO -0.01 -0.49 -0.20 1.25 0.00 0.00 0.00 173.10 173.64 1q53 s LYS 52 N -3.88 2.15 -0.27 2.90 2.20 -1.26 -4.05 119.74 117.54 1q53 s LYS 52 Ca 0.09 -0.91 -0.28 0.00 -0.36 0.00 0.00 55.97 54.51 1q53 s LYS 52 Cb 0.02 -2.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 1q53 s LYS 52 CO -0.06 0.56 2.26 -0.40 -0.36 0.00 0.00 175.35 177.36 1q53 n ASP 53 N 2.01 3.06 -4.64 1.43 5.75 -0.82 -4.90 116.55 118.43 1q53 n ASP 53 Ca -0.16 0.08 -0.43 0.00 -0.01 0.00 0.00 54.79 54.27 1q53 n ASP 53 Cb 0.52 -1.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.04 1q53 n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q53 s VAL 54 N 8.98 4.52 0.00 2.12 1.01 -1.26 -4.18 120.40 131.58 1q53 s VAL 54 Ca 1.01 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.76 1q53 s VAL 54 Cb -0.33 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1q53 s VAL 54 CO 0.34 -0.42 0.00 -0.24 0.00 0.00 0.00 175.10 174.78 1q53 n SER 55 N 6.80 -1.82 0.02 3.32 2.88 -1.26 -4.99 113.62 118.57 1q53 n SER 55 Ca 0.12 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.77 1q53 n SER 55 Cb 0.47 -0.91 0.06 0.00 -0.75 0.00 0.00 64.21 63.08 1q53 n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q53 n ILE 56 N -0.50 0.15 -0.35 2.46 3.06 -1.26 -4.33 119.36 118.59 1q53 n ILE 56 Ca 0.00 -0.19 0.01 0.00 -2.50 0.00 0.00 62.75 60.07 1q53 n ILE 56 Cb 0.04 0.24 0.06 0.00 0.54 0.00 0.00 39.64 40.52 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1q53 n GLU 57 N -1.86 -0.19 -3.75 9.51 1.02 -1.26 -4.68 120.64 119.43 1q53 n GLU 57 Ca 0.03 1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 58.51 1q53 n GLU 57 Cb 0.41 -2.14 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 1q53 n GLU 57 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q53 s ASN 58 N -5.31 -0.23 -0.10 1.62 4.22 -1.26 -5.02 114.94 108.86 1q53 s ASN 58 Ca -0.13 -0.51 -0.00 0.00 -2.14 0.00 0.00 52.86 50.08 1q53 s ASN 58 Cb 0.20 0.55 0.00 0.00 1.28 0.00 0.00 41.25 43.29 1q53 s ASN 58 CO 0.68 -1.02 0.10 -0.11 -2.04 0.00 0.00 177.10 174.71 1q53 n LEU 59 N -0.32 -2.66 -3.57 3.54 0.00 -1.26 -4.99 117.00 107.74 1q53 n LEU 59 Ca -0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 56.01 55.79 1q53 n LEU 59 Cb 0.63 -1.32 -0.05 0.00 0.00 0.00 0.00 43.42 42.68 1q53 n LEU 59 CO 0.18 -0.16 0.74 -1.38 0.00 0.00 0.00 177.39 176.77 1q53 s HIS 60 N -2.94 -0.40 -0.41 1.96 -3.43 -1.26 -4.95 115.29 103.86 1q53 s HIS 60 Ca 0.00 0.68 0.22 0.00 -0.80 0.00 0.00 55.06 55.16 1q53 s HIS 60 Cb -0.00 0.45 -0.25 0.00 -1.43 0.00 0.00 32.58 31.34 1q53 s HIS 60 CO 0.10 -0.37 0.69 0.94 -2.00 0.00 0.00 174.74 174.10 1q53 n GLN 61 N 0.74 0.41 0.00 -0.38 -0.06 -1.26 -4.95 117.38 111.88 1q53 n GLN 61 Ca -0.11 -0.11 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 1q53 n GLN 61 Cb 0.58 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 25.23 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 1.35 1.53 0.14 1.69 0.00 -1.26 -5.04 105.19 103.59 1q53 n GLY 62 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.65 0.00 1.61 0.05 -1.92 -3.40 116.97 113.96 1q53 h TYR 63 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1q53 h TYR 63 Cb 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1q53 h TYR 63 CO 0.00 1.25 0.00 0.25 -1.05 0.00 0.00 178.16 178.61 1q53 n THR 64 N -3.69 0.00 -4.04 -2.88 -2.24 -1.26 -4.37 114.28 95.79 1q53 n THR 64 Ca -0.09 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1q53 n THR 64 Cb 0.92 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1q53 n THR 64 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1q53 n HIS 65 N 0.00 -1.42 -3.73 4.78 8.25 -1.26 -1.95 115.22 119.90 1q53 n HIS 65 Ca 0.00 -2.28 -0.13 0.00 -0.26 0.00 0.00 57.72 55.06 1q53 n HIS 65 Cb 0.00 0.53 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 1q53 n HIS 65 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1q53 s ILE 66 N -2.80 -0.00 -0.24 1.59 -4.36 -1.26 -3.83 121.20 110.29 1q53 s ILE 66 Ca 0.28 0.01 -0.09 0.00 -0.26 0.00 0.00 60.65 60.59 1q53 s ILE 66 Cb -0.01 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 1q53 s ILE 66 CO 0.20 0.01 0.13 -0.36 0.24 0.00 0.00 174.94 175.16 1q53 s PHE 67 N 0.37 3.22 -0.15 1.37 0.08 0.40 -4.15 117.98 119.12 1q53 s PHE 67 Ca -0.01 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1q53 s PHE 67 Cb -0.04 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1q53 s PHE 67 CO -0.01 -0.09 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.68 1q53 s GLU 68 N 1.28 2.20 -0.09 0.44 2.02 -1.21 -0.64 118.70 122.71 1q53 s GLU 68 Ca 0.06 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1q53 s GLU 68 Cb -0.14 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1q53 s GLU 68 CO 0.06 -0.26 -0.17 -1.12 0.02 0.00 0.00 175.26 173.78 1q53 s SER 69 N 1.50 3.69 -0.10 -0.19 0.01 -1.21 -2.28 113.70 115.12 1q53 s SER 69 Ca 0.04 -0.36 -0.24 0.00 1.31 0.00 0.00 55.95 56.70 1q53 s SER 69 Cb -0.13 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 1q53 s SER 69 CO -0.10 0.23 0.76 -0.89 0.41 0.00 0.00 173.24 173.64 1q53 s THR 70 N -0.05 4.98 0.18 1.44 2.01 -0.47 -3.65 115.64 120.08 1q53 s THR 70 Ca -0.04 1.53 0.07 0.00 0.31 0.00 0.00 61.69 63.55 1q53 s THR 70 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1q53 s THR 70 CO 0.04 0.17 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.65 1q53 s PHE 71 N 1.31 1.54 0.29 4.92 0.08 -1.25 -2.63 117.98 122.25 1q53 s PHE 71 Ca 0.38 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.85 1q53 s PHE 71 Cb -0.17 -0.74 0.46 0.00 -0.57 0.00 0.00 43.02 41.99 1q53 s PHE 71 CO 0.17 0.25 1.73 1.49 -0.10 0.00 0.00 175.22 178.76 1q53 h GLU 72 N 2.77 0.37 0.00 0.44 4.81 -1.94 -3.32 114.58 117.72 1q53 h GLU 72 Ca -0.38 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1q53 h GLU 72 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1q53 h GLU 72 CO 0.61 0.64 0.00 0.45 -0.73 0.00 0.00 179.01 179.98 1q53 n SER 73 N -4.10 0.00 0.15 1.04 2.88 -1.26 -4.66 113.62 107.67 1q53 n SER 73 Ca -0.01 -0.34 0.01 0.00 -1.33 0.00 0.00 58.87 57.20 1q53 n SER 73 Cb 0.42 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.05 1q53 n SER 73 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1q53 h LYS 74 N 0.00 0.00 -0.43 -1.46 2.10 -2.00 -2.80 116.57 111.98 1q53 h LYS 74 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1q53 h LYS 74 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1q53 h LYS 74 CO 0.00 0.57 -0.22 0.93 -2.00 0.00 0.00 179.45 178.73 1q53 h GLU 75 N 0.00 0.87 -0.18 0.07 5.08 -2.01 -2.66 114.58 115.75 1q53 h GLU 75 Ca -0.01 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 1q53 h GLU 75 Cb 1.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1q53 h GLU 75 CO 0.07 1.00 -0.35 0.00 -1.00 0.00 0.00 179.01 178.74 1q53 h ALA 76 N 0.99 1.07 -0.22 3.43 0.00 -1.91 -2.30 119.26 120.33 1q53 h ALA 76 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1q53 h ALA 76 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1q53 h ALA 76 CO 0.06 0.58 0.14 -0.24 0.00 0.00 0.00 179.25 179.79 1q53 h VAL 77 N 0.32 1.05 -0.76 0.00 3.04 -1.21 -0.23 116.25 118.46 1q53 h VAL 77 Ca 0.04 -0.10 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 1q53 h VAL 77 Cb 0.77 0.74 -0.04 0.00 -2.01 0.00 0.00 31.29 30.75 1q53 h VAL 77 CO 0.06 0.05 0.39 0.00 -1.01 0.00 0.00 177.57 177.06 1q53 h ALA 78 N 1.87 1.25 -0.50 3.17 0.00 -1.20 -0.51 119.26 123.34 1q53 h ALA 78 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1q53 h ALA 78 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1q53 h ALA 78 CO -0.02 0.59 0.11 0.93 0.00 0.00 0.00 179.25 180.86 1q53 h GLU 79 N 1.07 0.80 -0.56 0.00 4.39 -1.07 0.19 114.58 119.40 1q53 h GLU 79 Ca 0.27 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1q53 h GLU 79 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1q53 h GLU 79 CO -0.04 0.78 0.26 -0.92 -1.16 0.00 0.00 179.01 177.94 1q53 h TYR 80 N 0.69 0.82 0.00 4.33 3.20 -0.97 -1.92 116.97 123.11 1q53 h TYR 80 Ca 0.15 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1q53 h TYR 80 Cb 0.35 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1q53 h TYR 80 CO 0.02 0.64 -0.39 0.82 -1.64 0.00 0.00 178.16 177.61 1q53 h ILE 81 N 0.77 0.99 -0.82 1.81 2.04 -0.92 -2.78 117.51 118.59 1q53 h ILE 81 Ca 0.19 -1.50 -0.56 0.00 1.00 0.00 0.00 64.86 63.99 1q53 h ILE 81 Cb 0.13 1.88 -0.24 0.00 -0.74 0.00 0.00 36.82 37.86 1q53 h ILE 81 CO -0.02 0.38 0.72 0.00 0.00 0.00 0.00 178.15 179.23 1q53 n ALA 82 N -2.34 5.91 -3.00 1.87 0.00 0.65 -4.90 120.51 118.72 1q53 n ALA 82 Ca -0.01 -2.85 -0.33 0.00 0.00 0.00 0.00 53.44 50.26 1q53 n ALA 82 Cb 0.49 -1.64 -0.15 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.14 2.75 0.19 0.00 5.04 -1.05 -4.91 115.29 114.18 1q53 s HIS 83 Ca 0.53 -0.63 0.05 0.00 -1.54 0.00 0.00 55.06 53.47 1q53 s HIS 83 Cb 0.42 -1.79 0.09 0.00 0.04 0.00 0.00 32.58 31.34 1q53 s HIS 83 CO -0.01 -0.18 1.45 -1.00 -2.34 0.00 0.00 174.74 172.66 1q53 h PRO 84 N 6.49 0.15 -0.31 2.88 0.13 -1.90 -2.19 132.00 137.26 1q53 h PRO 84 Ca -0.28 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1q53 h PRO 84 Cb 1.21 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1q53 h PRO 84 CO 0.53 0.86 0.16 0.00 -0.23 0.00 0.00 178.00 179.33 1q53 h ALA 85 N 1.09 0.40 -0.38 -0.56 0.00 -1.95 0.44 119.26 118.30 1q53 h ALA 85 Ca -0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1q53 h ALA 85 Cb 1.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1q53 h ALA 85 CO 0.12 -0.05 -0.21 1.25 0.00 0.00 0.00 179.25 180.36 1q53 h HIS 86 N 0.38 0.82 -0.43 0.00 -0.00 -1.87 -2.51 115.15 111.53 1q53 h HIS 86 Ca 0.11 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 1q53 h HIS 86 Cb 0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 1q53 h HIS 86 CO -0.02 0.87 0.10 0.28 -0.00 0.00 0.00 177.93 179.16 1q53 h VAL 87 N 0.64 1.23 -0.74 5.26 2.07 -0.90 0.15 116.25 123.97 1q53 h VAL 87 Ca 0.09 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.88 1q53 h VAL 87 Cb 0.69 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1q53 h VAL 87 CO 0.05 0.29 0.40 -0.08 0.02 0.00 0.00 177.57 178.25 1q53 h GLU 88 N 0.57 0.67 -0.20 1.57 4.57 0.11 0.35 114.58 122.22 1q53 h GLU 88 Ca 0.14 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 1q53 h GLU 88 Cb 0.33 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1q53 h GLU 88 CO 0.00 0.44 -0.60 0.35 -1.18 0.00 0.00 179.01 178.02 1q53 h PHE 89 N 0.69 0.86 -0.61 0.92 3.57 -1.14 -2.89 116.94 118.35 1q53 h PHE 89 Ca 0.35 -0.33 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1q53 h PHE 89 Cb 0.31 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1q53 h PHE 89 CO -0.08 1.11 0.36 0.00 -2.23 0.00 0.00 178.31 177.47 1q53 h ALA 90 N 0.82 0.80 -0.99 2.41 0.00 0.36 0.36 119.26 123.01 1q53 h ALA 90 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1q53 h ALA 90 Cb 1.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1q53 h ALA 90 CO 0.12 0.08 0.65 1.15 0.00 0.00 0.00 179.25 181.25 1q53 h THR 91 N 0.70 1.26 -0.19 0.00 2.02 -0.91 0.36 112.91 116.15 1q53 h THR 91 Ca 0.25 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1q53 h THR 91 Cb 0.06 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 1q53 h THR 91 CO -0.12 0.25 -0.08 0.40 0.37 0.00 0.00 175.52 176.34 1q53 h ILE 92 N 1.35 1.30 -0.51 3.11 2.04 -1.05 -2.98 117.51 120.77 1q53 h ILE 92 Ca 0.36 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1q53 h ILE 92 Cb -0.15 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1q53 h ILE 92 CO -0.08 0.34 0.21 0.15 0.00 0.00 0.00 178.15 178.77 1q53 h PHE 93 N 0.09 0.72 -0.29 1.37 3.04 0.18 -0.97 116.94 121.09 1q53 h PHE 93 Ca 0.04 -0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.05 1q53 h PHE 93 Cb 0.56 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1q53 h PHE 93 CO 0.06 0.56 0.27 -0.07 -2.02 0.00 0.00 178.31 177.11 1q53 h LEU 94 N 0.72 0.00 -2.53 0.59 3.38 -0.14 0.34 115.31 117.67 1q53 h LEU 94 Ca 0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1q53 h LEU 94 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1q53 h LEU 94 CO -0.02 0.00 0.03 1.23 0.09 0.00 0.00 178.44 179.77 1q53 h GLY 95 N 0.00 0.00 -5.40 0.83 0.00 -1.14 -3.22 103.07 94.14 1q53 h GLY 95 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.13 1q53 h GLY 95 CO -0.00 0.00 -0.74 -1.26 0.00 0.00 0.00 176.54 174.53 1q53 n SER 96 N -3.70 -1.18 -4.33 0.19 2.88 0.11 -5.10 113.62 102.48 1q53 n SER 96 Ca -0.03 -3.36 -0.32 0.00 -1.33 0.00 0.00 58.87 53.83 1q53 n SER 96 Cb 0.11 0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 64.32 1q53 n SER 96 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1q53 s LEU 97 N -2.07 2.45 -0.03 2.46 2.96 -0.75 -3.90 118.68 119.80 1q53 s LEU 97 Ca 0.30 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1q53 s LEU 97 Cb 0.29 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1q53 s LEU 97 CO -0.09 0.21 -0.05 -0.67 -1.32 0.00 0.00 176.35 174.43 1q53 n ASP 98 N 3.24 0.37 -4.10 3.68 -0.08 -0.09 -4.67 116.55 114.90 1q53 n ASP 98 Ca -0.18 0.25 -0.09 0.00 -1.51 0.00 0.00 54.79 53.25 1q53 n ASP 98 Cb 0.53 -0.57 -0.10 0.00 2.34 0.00 0.00 41.12 43.32 1q53 n ASP 98 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1q53 s LYS 99 N -1.29 0.64 -0.22 -0.67 1.02 -1.23 -4.96 119.74 113.03 1q53 s LYS 99 Ca -0.04 -1.13 -0.05 0.00 0.02 0.00 0.00 55.97 54.76 1q53 s LYS 99 Cb 0.01 -0.00 0.11 0.00 -0.52 0.00 0.00 37.83 37.43 1q53 s LYS 99 CO 0.06 -0.05 0.43 0.14 -0.92 0.00 0.00 175.35 175.00 1q53 s VAL 100 N -3.23 -0.68 -0.06 3.17 -7.23 -1.26 -2.32 120.40 108.79 1q53 s VAL 100 Ca 0.04 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1q53 s VAL 100 Cb 0.03 -0.75 0.01 0.00 0.56 0.00 0.00 36.38 36.23 1q53 s VAL 100 CO -0.06 0.01 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.82 1q53 s LEU 101 N 2.62 1.79 -0.19 1.32 2.01 -0.90 -5.03 118.68 120.30 1q53 s LEU 101 Ca 0.04 -0.35 -0.09 0.00 0.01 0.00 0.00 54.13 53.74 1q53 s LEU 101 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 46.19 45.08 1q53 s LEU 101 CO -0.14 0.08 0.09 -0.69 1.01 0.00 0.00 176.35 176.70 1q53 s VAL 102 N 0.44 5.05 -0.01 -1.59 1.01 -1.26 -2.33 120.40 121.71 1q53 s VAL 102 Ca -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1q53 s VAL 102 Cb -0.15 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1q53 s VAL 102 CO 0.04 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1q53 s ILE 103 N 0.41 0.03 -0.14 2.22 -1.09 0.13 -5.02 121.20 117.73 1q53 s ILE 103 Ca 0.05 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1q53 s ILE 103 Cb -0.12 -0.16 -0.03 0.00 -1.58 0.00 0.00 42.46 40.57 1q53 s ILE 103 CO -0.00 -0.16 0.01 -1.81 -1.23 0.00 0.00 174.94 171.75 1q53 s ASP 104 N -0.47 5.20 -0.15 3.58 1.11 -1.26 0.20 116.67 124.88 1q53 s ASP 104 Ca -0.05 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.70 1q53 s ASP 104 Cb -0.03 -1.76 0.03 0.00 1.07 0.00 0.00 42.92 42.23 1q53 s ASP 104 CO -0.00 0.23 -0.10 -0.47 1.18 0.00 0.00 175.17 176.01 1q53 s TYR 105 N -0.01 1.93 -0.04 4.23 5.04 0.41 -4.86 117.35 124.05 1q53 s TYR 105 Ca 0.03 -1.12 0.07 0.00 -2.44 0.00 0.00 57.07 53.61 1q53 s TYR 105 Cb -0.13 -1.45 -0.01 0.00 0.35 0.00 0.00 41.96 40.72 1q53 s TYR 105 CO 0.02 -0.63 -0.24 0.21 -1.34 0.00 0.00 175.55 173.57 1q53 s LYS 106 N 1.56 2.18 -0.63 4.97 2.20 -1.26 -2.16 119.74 126.60 1q53 s LYS 106 Ca 0.03 -0.85 -0.27 0.00 -0.36 0.00 0.00 55.97 54.52 1q53 s LYS 106 Cb -0.14 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1q53 s LYS 106 CO -0.09 0.43 1.54 -1.25 -0.36 0.00 0.00 175.35 175.62 1q53 s PRO 107 N -0.33 3.03 -0.42 4.03 0.04 -1.26 -4.95 135.00 135.13 1q53 s PRO 107 Ca 0.03 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.34 1q53 s PRO 107 Cb -0.11 -4.24 0.11 0.00 0.04 0.00 0.00 34.50 30.30 1q53 s PRO 107 CO 0.01 -2.29 0.22 -0.08 0.04 0.00 0.00 177.00 174.90 1q53 s THR 108 N 7.05 3.30 0.30 1.26 -1.32 -1.26 -4.95 115.64 120.02 1q53 s THR 108 Ca 0.53 -2.10 -0.18 0.00 -1.21 0.00 0.00 61.69 58.72 1q53 s THR 108 Cb -0.11 -3.26 -0.09 0.00 -1.51 0.00 0.00 72.50 67.53 1q53 s THR 108 CO 0.20 -0.70 0.77 -0.44 -2.21 0.00 0.00 174.62 172.24 1q53 s SER 109 N 1.77 6.92 -0.00 8.08 0.01 -1.26 -5.07 113.70 124.14 1q53 s SER 109 Ca 0.09 1.41 0.02 0.00 1.31 0.00 0.00 55.95 58.78 1q53 s SER 109 Cb -0.23 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1q53 s SER 109 CO -0.04 -0.13 -0.04 -0.69 0.41 0.00 0.00 173.24 172.74 1q53 s VAL 110 N -1.83 3.85 -0.08 3.43 1.01 -1.26 -5.07 120.40 120.45 1q53 s VAL 110 Ca 0.51 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1q53 s VAL 110 Cb -0.13 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1q53 s VAL 110 CO 0.19 0.40 1.44 -0.94 0.00 0.00 0.00 175.10 176.19 1q53 s SER 111 N -1.42 6.82 0.00 3.32 1.04 -1.26 -5.36 113.70 116.84 1q53 s SER 111 Ca 0.18 2.01 0.26 0.00 0.48 0.00 0.00 55.95 58.88 1q53 s SER 111 Cb -0.11 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 64.15 1q53 s SER 111 CO 0.08 -0.81 1.54 0.18 0.98 0.00 0.00 173.24 175.21