#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 0.00 -0.14 1.61 7.64 -1.26 -5.01 113.62 116.46 1q53 n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1q53 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1q53 n SER 2 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1q53 h HIS 3 N 0.00 -0.90 -5.17 1.43 3.86 -2.11 -3.47 115.15 108.79 1q53 h HIS 3 Ca 0.00 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1q53 h HIS 3 Cb 0.00 0.44 -0.06 0.00 1.06 0.00 0.00 27.41 28.85 1q53 h HIS 3 CO 0.00 -0.22 -1.25 -1.33 0.86 0.00 0.00 177.93 175.99 1q53 n MET 4 N -4.08 -3.84 -3.85 2.45 0.00 -1.26 -5.03 117.12 101.51 1q53 n MET 4 Ca -0.00 2.99 -0.21 0.00 0.00 0.00 0.00 57.70 60.48 1q53 n MET 4 Cb 0.15 -4.93 -0.03 0.00 0.00 0.00 0.00 33.22 28.41 1q53 n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1q53 s GLU 5 N -1.11 3.02 -0.26 0.03 2.02 -1.26 -5.08 118.70 116.05 1q53 s GLU 5 Ca -0.14 -1.06 -0.20 0.00 0.02 0.00 0.00 54.97 53.60 1q53 s GLU 5 Cb 0.01 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 1q53 s GLU 5 CO 0.74 0.24 0.59 -2.00 0.02 0.00 0.00 175.26 174.85 1q53 s GLU 6 N -3.99 4.06 0.21 1.61 2.12 -1.26 -4.90 118.70 116.56 1q53 s GLU 6 Ca 0.38 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.94 1q53 s GLU 6 Cb -0.08 -3.66 0.07 0.00 0.26 0.00 0.00 34.13 30.72 1q53 s GLU 6 CO 0.28 -0.42 1.00 0.00 -0.54 0.00 0.00 175.26 175.58 1q53 s ALA 7 N 2.46 -1.47 -0.44 6.30 0.00 -1.26 -4.99 121.76 122.35 1q53 s ALA 7 Ca 0.24 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 52.04 1q53 s ALA 7 Cb -0.15 0.75 0.99 0.00 0.00 0.00 0.00 23.12 24.71 1q53 s ALA 7 CO 0.09 -1.05 1.67 0.36 0.00 0.00 0.00 175.76 176.83 1q53 n LYS 8 N -0.67 0.17 -4.67 0.00 2.85 -1.26 -4.73 118.16 109.85 1q53 n LYS 8 Ca -0.04 0.47 -0.33 0.00 -1.05 0.00 0.00 58.31 57.37 1q53 n LYS 8 Cb 0.59 -1.87 -0.06 0.00 -0.65 0.00 0.00 35.03 33.04 1q53 n LYS 8 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1q53 s GLY 9 N -3.52 3.00 1.00 2.58 0.00 -1.26 -4.64 107.32 104.48 1q53 s GLY 9 Ca 0.03 -0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 1q53 s GLY 9 CO 0.33 -2.18 1.18 2.56 0.00 0.00 0.00 173.10 174.99 1q53 s PRO 10 N -3.95 0.38 -0.09 2.90 0.04 -1.26 -4.90 135.00 128.13 1q53 s PRO 10 Ca 0.06 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.12 1q53 s PRO 10 Cb 0.00 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1q53 s PRO 10 CO 0.04 -2.65 -0.12 0.08 0.04 0.00 0.00 177.00 174.39 1q53 s VAL 11 N -3.38 3.23 -0.42 -0.36 1.01 -1.26 -4.71 120.40 114.52 1q53 s VAL 11 Ca 0.68 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1q53 s VAL 11 Cb -0.10 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 34.04 1q53 s VAL 11 CO 0.54 0.56 0.25 -0.54 0.00 0.00 0.00 175.10 175.91 1q53 s LYS 12 N -0.29 2.57 -0.15 2.72 -0.14 -0.65 -3.99 119.74 119.81 1q53 s LYS 12 Ca 0.03 -1.48 -0.23 0.00 -1.36 0.00 0.00 55.97 52.92 1q53 s LYS 12 Cb -0.13 -3.76 -0.02 0.00 -1.68 0.00 0.00 37.83 32.24 1q53 s LYS 12 CO 0.03 -0.96 0.73 -1.58 -0.76 0.00 0.00 175.35 172.81 1q53 s HIS 13 N 1.41 3.45 -0.18 3.18 5.65 -1.25 0.14 115.29 127.69 1q53 s HIS 13 Ca 0.03 1.15 -0.03 0.00 0.25 0.00 0.00 55.06 56.47 1q53 s HIS 13 Cb -0.23 -2.89 -0.01 0.00 -1.18 0.00 0.00 32.58 28.27 1q53 s HIS 13 CO 0.02 -0.13 -0.07 0.08 -0.65 0.00 0.00 174.74 173.99 1q53 s VAL 14 N 1.69 3.39 -0.03 0.89 1.01 0.41 -3.32 120.40 124.43 1q53 s VAL 14 Ca 0.35 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1q53 s VAL 14 Cb -0.17 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1q53 s VAL 14 CO 0.13 0.47 -0.13 -0.22 0.00 0.00 0.00 175.10 175.36 1q53 s LEU 15 N 0.86 1.86 0.07 3.92 0.20 -1.03 0.35 118.68 124.91 1q53 s LEU 15 Ca -0.02 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.55 1q53 s LEU 15 Cb -0.15 -0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 1q53 s LEU 15 CO 0.01 0.11 0.13 -0.22 -0.29 0.00 0.00 176.35 176.09 1q53 s LEU 16 N 0.09 4.00 -0.25 -0.68 2.96 0.30 0.10 118.68 125.21 1q53 s LEU 16 Ca -0.03 0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 53.74 1q53 s LEU 16 Cb -0.10 -2.64 0.07 0.00 0.50 0.00 0.00 46.19 44.02 1q53 s LEU 16 CO 0.01 0.18 0.68 0.00 -1.32 0.00 0.00 176.35 175.89 1q53 s ALA 17 N -1.42 -1.67 -0.20 5.97 0.00 -1.11 -1.43 121.76 121.89 1q53 s ALA 17 Ca 0.31 1.88 -0.00 0.00 0.00 0.00 0.00 51.96 54.15 1q53 s ALA 17 Cb -0.12 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 21.98 1q53 s ALA 17 CO 0.24 -0.32 -0.05 -1.12 0.00 0.00 0.00 175.76 174.51 1q53 s SER 18 N 0.30 3.28 -0.20 0.00 0.01 -1.17 -4.20 113.70 111.74 1q53 s SER 18 Ca -0.00 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 1q53 s SER 18 Cb -0.05 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1q53 s SER 18 CO 0.01 -0.21 1.76 -0.36 0.41 0.00 0.00 173.24 174.85 1q53 s PHE 19 N 1.55 1.84 0.61 2.43 0.40 -1.26 0.20 117.98 123.74 1q53 s PHE 19 Ca -0.02 0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 56.55 1q53 s PHE 19 Cb -0.17 -4.02 -0.04 0.00 0.51 0.00 0.00 43.02 39.30 1q53 s PHE 19 CO -0.07 -3.45 0.96 0.36 0.70 0.00 0.00 175.22 173.72 1q53 n LYS 20 N 7.87 0.87 -1.97 0.44 2.85 -1.26 -4.80 118.16 122.15 1q53 n LYS 20 Ca 0.21 0.34 -0.43 0.00 -1.05 0.00 0.00 58.31 57.38 1q53 n LYS 20 Cb 0.45 -2.17 -0.03 0.00 -0.65 0.00 0.00 35.03 32.63 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1q53 s ASP 21 N -1.27 5.98 0.00 -5.58 2.15 -1.26 -2.84 116.67 113.85 1q53 s ASP 21 Ca 0.76 1.50 0.00 0.00 0.43 0.00 0.00 52.55 55.25 1q53 s ASP 21 Cb -0.41 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.68 1q53 s ASP 21 CO 0.47 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.47 1q53 n GLY 22 N 5.25 0.75 3.71 2.66 0.00 -1.26 -5.12 105.19 111.19 1q53 n GLY 22 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 4.67 0.58 1.61 1.01 -1.13 -5.00 120.40 122.14 1q53 s VAL 23 Ca 0.00 1.95 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 1q53 s VAL 23 Cb 0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1q53 s VAL 23 CO 0.00 0.17 1.26 -1.20 0.00 0.00 0.00 175.10 175.33 1q53 n SER 24 N 3.76 2.14 0.04 3.32 7.64 -1.26 -4.93 113.62 124.33 1q53 n SER 24 Ca 0.06 0.91 -0.15 0.00 1.01 0.00 0.00 58.87 60.70 1q53 n SER 24 Cb 0.50 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 1q53 n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1q53 h PRO 25 N 1.04 0.56 0.00 1.43 0.13 -2.00 -2.81 132.00 130.35 1q53 h PRO 25 Ca -0.50 -0.54 -0.05 0.00 -0.87 0.00 0.00 66.00 64.03 1q53 h PRO 25 Cb 1.33 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 1q53 h PRO 25 CO 0.55 1.17 -0.26 0.93 -0.23 0.00 0.00 178.00 180.16 1q53 h GLU 26 N 0.34 0.00 -0.02 0.86 5.08 -2.00 -2.24 114.58 116.60 1q53 h GLU 26 Ca -0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 1q53 h GLU 26 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1q53 h GLU 26 CO 0.17 0.26 -0.84 -0.22 -1.00 0.00 0.00 179.01 177.37 1q53 h LYS 27 N 0.00 0.31 -0.39 2.33 3.64 -1.92 -1.42 116.57 119.13 1q53 h LYS 27 Ca -0.00 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1q53 h LYS 27 Cb 0.58 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1q53 h LYS 27 CO 0.03 0.99 0.26 0.82 -2.27 0.00 0.00 179.45 179.28 1q53 h ILE 28 N 0.19 1.10 -0.27 2.00 2.04 -1.14 0.35 117.51 121.78 1q53 h ILE 28 Ca -0.05 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.47 1q53 h ILE 28 Cb 1.45 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1q53 h ILE 28 CO 0.14 0.10 -0.45 1.05 0.00 0.00 0.00 178.15 178.99 1q53 h GLU 29 N 0.53 0.70 -0.39 2.37 4.11 -1.49 -1.65 114.58 118.76 1q53 h GLU 29 Ca 0.14 -0.39 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 1q53 h GLU 29 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1q53 h GLU 29 CO -0.03 1.00 0.18 0.93 0.07 0.00 0.00 179.01 181.16 1q53 h GLU 30 N 0.56 0.57 0.06 1.06 5.08 -0.72 0.82 114.58 122.00 1q53 h GLU 30 Ca 0.04 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1q53 h GLU 30 Cb 1.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1q53 h GLU 30 CO 0.09 0.52 -0.03 1.25 -1.00 0.00 0.00 179.01 179.84 1q53 h LEU 31 N 0.49 -0.07 -1.38 1.33 5.85 -0.25 -0.49 115.31 120.80 1q53 h LEU 31 Ca 0.13 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1q53 h LEU 31 Cb 0.14 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1q53 h LEU 31 CO -0.01 0.08 0.15 0.40 -0.34 0.00 0.00 178.44 178.71 1q53 h ILE 32 N -0.22 1.16 -0.50 4.05 2.04 -1.14 0.11 117.51 123.01 1q53 h ILE 32 Ca -0.01 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1q53 h ILE 32 Cb 0.19 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1q53 h ILE 32 CO 0.01 0.20 0.29 0.11 0.00 0.00 0.00 178.15 178.76 1q53 h LYS 33 N 0.57 0.69 0.04 2.37 1.79 0.12 -2.09 116.57 120.06 1q53 h LYS 33 Ca 0.14 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1q53 h LYS 33 Cb 0.14 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1q53 h LYS 33 CO -0.01 0.52 -0.02 0.78 -1.08 0.00 0.00 179.45 179.64 1q53 h GLY 34 N 0.67 -0.06 -0.58 3.86 0.00 -0.28 -3.13 103.07 103.55 1q53 h GLY 34 Ca 0.18 0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.69 1q53 h GLY 34 CO -0.03 -0.02 -0.18 -1.82 0.00 0.00 0.00 176.54 174.49 1q53 h TYR 35 N -0.50 -0.38 -0.67 5.60 5.03 -0.69 1.56 116.97 126.91 1q53 h TYR 35 Ca -0.01 0.07 0.11 0.00 2.58 0.00 0.00 58.73 61.49 1q53 h TYR 35 Cb 0.46 0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 1q53 h TYR 35 CO 0.07 -0.34 0.45 0.00 -1.32 0.00 0.00 178.16 177.03 1q53 h ALA 36 N 1.79 2.02 0.01 1.82 0.00 -1.39 0.30 119.26 123.82 1q53 h ALA 36 Ca 0.39 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1q53 h ALA 36 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1q53 h ALA 36 CO -0.81 -0.18 -0.93 -0.97 0.00 0.00 0.00 179.25 176.36 1q53 h ASN 37 N 0.44 0.30 0.09 0.00 -1.24 0.20 -3.00 115.58 112.37 1q53 h ASN 37 Ca 0.32 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 1q53 h ASN 37 Cb 0.63 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1q53 h ASN 37 CO -0.10 1.07 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.81 1q53 h LEU 38 N 0.12 0.27 -1.02 0.34 3.38 0.34 -0.57 115.31 118.17 1q53 h LEU 38 Ca -0.06 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1q53 h LEU 38 Cb 1.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1q53 h LEU 38 CO 0.14 0.52 -0.45 0.58 0.09 0.00 0.00 178.44 179.32 1q53 h VAL 39 N 0.25 1.33 -0.06 1.22 2.07 -0.71 0.18 116.25 120.52 1q53 h VAL 39 Ca 0.04 -1.59 -0.24 0.00 0.82 0.00 0.00 66.70 65.73 1q53 h VAL 39 Cb 0.57 1.81 0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1q53 h VAL 39 CO 0.04 0.46 -0.91 -1.13 0.02 0.00 0.00 177.57 176.05 1q53 h ASN 40 N 0.07 0.90 0.42 0.57 -1.24 -1.19 -3.32 115.58 111.79 1q53 h ASN 40 Ca 0.00 -0.70 -0.02 0.00 0.71 0.00 0.00 56.30 56.29 1q53 h ASN 40 Cb 0.83 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1q53 h ASN 40 CO 0.06 1.47 -0.20 0.25 -1.29 0.00 0.00 177.43 177.72 1q53 h LEU 41 N 0.41 -0.48 -8.38 0.34 7.12 -0.89 -3.41 115.31 110.03 1q53 h LEU 41 Ca -0.10 -0.11 -0.52 0.00 0.13 0.00 0.00 57.88 57.29 1q53 h LEU 41 Cb 1.56 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.78 1q53 h LEU 41 CO 0.18 -0.10 1.64 -0.38 -0.13 0.00 0.00 178.44 179.66 1q53 n ILE 42 N -5.20 -0.00 -0.31 4.05 2.08 0.60 -4.78 119.36 115.79 1q53 n ILE 42 Ca -0.10 -0.41 -0.02 0.00 0.56 0.00 0.00 62.75 62.78 1q53 n ILE 42 Cb 0.29 -1.76 0.04 0.00 -0.75 0.00 0.00 39.64 37.47 1q53 n ILE 42 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1q53 h GLU 43 N 15.50 -0.05 -5.74 0.38 4.39 -1.85 -3.09 114.58 124.12 1q53 h GLU 43 Ca -0.18 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.03 1q53 h GLU 43 Cb 1.29 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.89 1q53 h GLU 43 CO 1.22 -0.03 1.51 -1.25 -1.16 0.00 0.00 179.01 179.29 1q53 s PRO 44 N -6.01 3.22 0.00 2.33 0.04 -1.26 -4.80 135.00 128.52 1q53 s PRO 44 Ca -0.14 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.55 1q53 s PRO 44 Cb 0.19 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1q53 s PRO 44 CO 0.71 -3.00 0.00 -1.33 0.04 0.00 0.00 177.00 173.42 1q53 n MET 45 N 8.49 0.00 0.00 4.56 2.81 -1.17 -4.79 117.12 127.02 1q53 n MET 45 Ca 0.44 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1q53 n MET 45 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 1q53 n MET 45 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1q53 n LYS 46 N -0.14 0.00 -3.89 0.03 4.01 -1.01 -4.96 118.16 112.21 1q53 n LYS 46 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 1q53 n LYS 46 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 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 -4.50 -0.18 -0.36 7.82 0.00 -1.26 -4.79 121.76 118.49 1q53 s ALA 47 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1q53 s ALA 47 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1q53 s ALA 47 CO 0.00 -0.40 0.29 0.12 0.00 0.00 0.00 175.76 175.77 1q53 s PHE 48 N -3.11 3.22 -0.12 0.00 5.36 -1.26 -2.61 117.98 119.46 1q53 s PHE 48 Ca -0.01 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1q53 s PHE 48 Cb 0.02 -2.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 1q53 s PHE 48 CO -0.07 -0.43 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.21 1q53 s HIS 49 N 1.81 3.04 -0.01 10.12 3.76 -0.66 -4.98 115.29 128.38 1q53 s HIS 49 Ca 0.08 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1q53 s HIS 49 Cb -0.17 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 1q53 s HIS 49 CO 0.11 0.17 -0.07 1.67 -0.85 0.00 0.00 174.74 175.77 1q53 s TRP 50 N -0.21 0.65 -0.07 1.40 1.48 -1.26 -1.29 118.94 119.64 1q53 s TRP 50 Ca 0.04 -0.12 -0.05 0.00 -1.06 0.00 0.00 56.10 54.91 1q53 s TRP 50 Cb -0.13 -0.42 0.03 0.00 -1.16 0.00 0.00 33.47 31.79 1q53 s TRP 50 CO 0.02 -0.01 0.16 0.20 -4.06 0.00 0.00 176.95 173.26 1q53 s GLY 51 N -0.15 -0.09 0.19 3.67 0.00 -1.25 -5.02 107.32 104.66 1q53 s GLY 51 Ca 0.03 0.58 0.11 0.00 0.00 0.00 0.00 44.72 45.44 1q53 s GLY 51 CO -0.00 0.68 -0.24 -1.59 0.00 0.00 0.00 173.10 171.95 1q53 s LYS 52 N 0.56 1.50 0.34 2.90 0.00 -1.26 -3.28 119.74 120.50 1q53 s LYS 52 Ca -0.04 -1.51 -0.25 0.00 0.00 0.00 0.00 55.97 54.17 1q53 s LYS 52 Cb -0.05 -1.81 -0.14 0.00 0.00 0.00 0.00 37.83 35.82 1q53 s LYS 52 CO -0.03 0.39 0.64 -3.47 0.00 0.00 0.00 175.35 172.89 1q53 n ASP 53 N 0.29 -0.48 -4.27 0.03 -0.08 -0.85 -4.94 116.55 106.26 1q53 n ASP 53 Ca -0.13 1.03 -0.36 0.00 -1.51 0.00 0.00 54.79 53.82 1q53 n ASP 53 Cb 0.56 -1.11 -0.14 0.00 2.34 0.00 0.00 41.12 42.77 1q53 n ASP 53 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1q53 s VAL 54 N -1.27 3.37 -0.28 5.18 1.01 -1.26 -4.81 120.40 122.34 1q53 s VAL 54 Ca 0.62 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1q53 s VAL 54 Cb -0.70 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.03 1q53 s VAL 54 CO 0.58 0.20 0.42 -1.20 0.00 0.00 0.00 175.10 175.10 1q53 n SER 55 N 4.76 -4.80 -0.00 3.32 7.64 -1.26 -4.87 113.62 118.40 1q53 n SER 55 Ca -0.16 -0.02 0.08 0.00 1.01 0.00 0.00 58.87 59.78 1q53 n SER 55 Cb 0.48 -1.33 -0.12 0.00 -1.01 0.00 0.00 64.21 62.24 1q53 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q53 n ILE 56 N 0.18 0.00 -3.75 0.44 0.13 -1.26 -5.00 119.36 110.11 1q53 n ILE 56 Ca -0.06 -0.25 -0.24 0.00 -1.10 0.00 0.00 62.75 61.10 1q53 n ILE 56 Cb 0.54 0.55 0.04 0.00 -0.84 0.00 0.00 39.64 39.92 1q53 n ILE 56 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1q53 n GLU 57 N -1.75 -5.32 -2.25 9.51 1.02 -1.26 -3.99 120.64 116.59 1q53 n GLU 57 Ca -0.00 0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 57.75 1q53 n GLU 57 Cb 0.36 -5.33 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 1q53 n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1q53 n ASN 58 N -2.99 -3.10 -2.34 1.62 4.13 -1.26 -5.04 115.26 106.28 1q53 n ASN 58 Ca -0.19 0.91 -0.02 0.00 1.68 0.00 0.00 54.58 56.96 1q53 n ASN 58 Cb 0.63 -3.82 -0.02 0.00 -1.54 0.00 0.00 39.78 35.02 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1q53 n LEU 59 N 0.83 -0.77 -4.00 3.41 -0.00 -1.26 -5.15 117.00 110.06 1q53 n LEU 59 Ca -0.16 -1.45 -0.12 0.00 -0.00 0.00 0.00 56.01 54.27 1q53 n LEU 59 Cb 0.24 0.95 -0.12 0.00 -0.00 0.00 0.00 43.42 44.50 1q53 n LEU 59 CO 0.28 1.04 -0.39 -1.38 -0.00 0.00 0.00 177.39 176.94 1q53 s HIS 60 N 0.01 0.45 -0.33 1.96 -3.43 -1.26 -5.03 115.29 107.66 1q53 s HIS 60 Ca 0.01 -0.37 0.10 0.00 -0.80 0.00 0.00 55.06 53.99 1q53 s HIS 60 Cb 0.02 -0.28 0.76 0.00 -1.43 0.00 0.00 32.58 31.65 1q53 s HIS 60 CO -0.00 -0.09 1.82 1.04 -2.00 0.00 0.00 174.74 175.51 1q53 n GLN 61 N 1.96 3.79 0.00 -0.38 3.00 -1.26 -4.80 117.38 119.69 1q53 n GLN 61 Ca -0.20 -3.11 0.00 0.00 -0.01 0.00 0.00 57.00 53.68 1q53 n GLN 61 Cb 0.56 -2.23 0.00 0.00 0.00 0.00 0.00 30.24 28.57 1q53 n GLN 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1q53 n GLY 62 N -0.13 1.30 0.24 1.08 0.00 -1.26 -4.94 105.19 101.48 1q53 n GLY 62 Ca 0.41 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 -1.41 1.61 0.05 -1.88 -3.01 116.97 112.33 1q53 h TYR 63 Ca 0.00 0.00 0.43 0.00 0.05 0.00 0.00 58.73 59.21 1q53 h TYR 63 Cb 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 1q53 h TYR 63 CO 0.00 0.00 0.98 2.41 -1.05 0.00 0.00 178.16 180.50 1q53 n THR 64 N -2.65 -0.07 -4.80 -2.88 -1.04 -1.26 -3.77 114.28 97.80 1q53 n THR 64 Ca -0.02 1.28 -0.33 0.00 -2.04 0.00 0.00 64.05 62.94 1q53 n THR 64 Cb 0.08 -2.11 -0.14 0.00 -1.82 0.00 0.00 70.33 66.34 1q53 n THR 64 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1q53 s HIS 65 N -4.63 2.79 0.03 -1.42 3.76 -1.14 -2.00 115.29 112.68 1q53 s HIS 65 Ca -0.05 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.26 1q53 s HIS 65 Cb 0.23 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 1q53 s HIS 65 CO 0.69 -0.14 0.08 0.42 -0.85 0.00 0.00 174.74 174.94 1q53 s ILE 66 N 0.14 0.12 -0.23 0.60 1.01 -1.21 -2.76 121.20 118.88 1q53 s ILE 66 Ca -0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 1q53 s ILE 66 Cb -0.15 -0.72 0.06 0.00 0.01 0.00 0.00 42.46 41.67 1q53 s ILE 66 CO 0.05 -0.56 -0.00 -0.36 0.00 0.00 0.00 174.94 174.07 1q53 s PHE 67 N -2.22 1.82 -0.11 3.97 0.08 0.11 -3.79 117.98 117.85 1q53 s PHE 67 Ca -0.08 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 55.53 1q53 s PHE 67 Cb -0.04 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1q53 s PHE 67 CO -0.03 -0.72 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.13 1q53 s GLU 68 N 1.59 3.18 -0.04 0.44 2.02 -0.41 -2.46 118.70 123.02 1q53 s GLU 68 Ca -0.02 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.52 1q53 s GLU 68 Cb -0.18 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 1q53 s GLU 68 CO -0.08 0.51 -0.20 -1.54 0.02 0.00 0.00 175.26 173.97 1q53 s SER 69 N -0.36 2.45 -0.18 -0.19 1.04 -1.21 -1.65 113.70 113.60 1q53 s SER 69 Ca 0.06 -0.40 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 1q53 s SER 69 Cb -0.12 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.34 1q53 s SER 69 CO 0.02 0.19 0.57 -0.89 0.98 0.00 0.00 173.24 174.12 1q53 s THR 70 N -0.08 5.08 0.34 2.02 2.01 -1.07 -3.86 115.64 120.06 1q53 s THR 70 Ca -0.02 1.09 0.04 0.00 0.31 0.00 0.00 61.69 63.11 1q53 s THR 70 Cb -0.12 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1q53 s THR 70 CO 0.02 0.18 0.05 -0.36 -0.69 0.00 0.00 174.62 173.82 1q53 s PHE 71 N 1.55 2.05 0.05 4.92 0.08 -1.26 -2.40 117.98 122.97 1q53 s PHE 71 Ca 0.27 -0.91 0.04 0.00 0.12 0.00 0.00 56.93 56.46 1q53 s PHE 71 Cb -0.16 -1.35 -0.24 0.00 -0.57 0.00 0.00 43.02 40.70 1q53 s PHE 71 CO 0.11 0.08 1.02 1.49 -0.10 0.00 0.00 175.22 177.82 1q53 h GLU 72 N 2.07 0.10 0.00 0.44 4.81 -1.96 -3.37 114.58 116.67 1q53 h GLU 72 Ca -0.41 -0.17 0.21 0.00 -0.13 0.00 0.00 59.36 58.86 1q53 h GLU 72 Cb 1.24 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 1q53 h GLU 72 CO 0.71 0.95 0.54 0.43 -0.73 0.00 0.00 179.01 180.91 1q53 n SER 73 N -3.33 -0.62 0.13 1.04 7.64 -1.26 -4.66 113.62 112.55 1q53 n SER 73 Ca -0.09 -1.08 -0.01 0.00 1.01 0.00 0.00 58.87 58.70 1q53 n SER 73 Cb 1.00 0.95 0.11 0.00 -1.01 0.00 0.00 64.21 65.27 1q53 n SER 73 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1q53 h LYS 74 N 0.00 0.00 -0.30 1.43 2.10 -1.96 -2.24 116.57 115.61 1q53 h LYS 74 Ca -0.11 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.37 1q53 h LYS 74 Cb 0.66 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1q53 h LYS 74 CO 0.17 0.67 -0.47 0.93 -2.00 0.00 0.00 179.45 178.74 1q53 h GLU 75 N 0.00 0.80 -0.15 0.07 5.08 -2.00 -2.64 114.58 115.74 1q53 h GLU 75 Ca -0.01 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1q53 h GLU 75 Cb 1.25 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1q53 h GLU 75 CO 0.09 1.10 -0.07 0.00 -1.00 0.00 0.00 179.01 179.12 1q53 h ALA 76 N 0.83 0.21 -0.76 3.43 0.00 -1.91 -2.68 119.26 118.37 1q53 h ALA 76 Ca 0.03 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1q53 h ALA 76 Cb 1.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1q53 h ALA 76 CO 0.10 0.01 0.53 -0.24 0.00 0.00 0.00 179.25 179.65 1q53 h VAL 77 N -0.01 0.69 -0.27 0.00 3.04 -1.38 0.15 116.25 118.47 1q53 h VAL 77 Ca 0.03 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 65.69 1q53 h VAL 77 Cb 0.54 0.47 -0.04 0.00 -2.01 0.00 0.00 31.29 30.26 1q53 h VAL 77 CO 0.02 0.04 0.04 0.00 -1.01 0.00 0.00 177.57 176.66 1q53 h ALA 78 N 1.64 0.27 -0.43 3.17 0.00 -1.11 0.42 119.26 123.22 1q53 h ALA 78 Ca 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1q53 h ALA 78 Cb 1.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1q53 h ALA 78 CO -0.07 -0.37 0.15 0.93 0.00 0.00 0.00 179.25 179.88 1q53 h GLU 79 N 0.14 0.66 -0.36 0.00 5.08 -0.75 0.16 114.58 119.51 1q53 h GLU 79 Ca 0.13 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1q53 h GLU 79 Cb 0.14 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1q53 h GLU 79 CO -0.18 0.62 0.19 -0.92 -1.00 0.00 0.00 179.01 177.72 1q53 h TYR 80 N 0.55 0.35 0.00 4.33 3.20 -0.68 -0.18 116.97 124.55 1q53 h TYR 80 Ca 0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1q53 h TYR 80 Cb 0.23 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1q53 h TYR 80 CO 0.01 0.19 0.00 0.82 -1.64 0.00 0.00 178.16 177.54 1q53 h ILE 81 N 0.38 0.00 -0.18 1.81 2.04 0.00 -1.69 117.51 119.88 1q53 h ILE 81 Ca 0.15 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1q53 h ILE 81 Cb 0.04 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1q53 h ILE 81 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.06 1q53 n ALA 82 N -2.00 2.50 -2.68 1.87 0.00 0.55 -4.82 120.51 115.94 1q53 n ALA 82 Ca 0.02 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 1q53 n ALA 82 Cb 0.33 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.77 3.56 0.13 0.00 5.04 -0.64 -4.97 115.29 116.64 1q53 s HIS 83 Ca 0.22 0.99 -0.06 0.00 -1.54 0.00 0.00 55.06 54.68 1q53 s HIS 83 Cb 0.11 -2.58 -0.08 0.00 0.04 0.00 0.00 32.58 30.07 1q53 s HIS 83 CO 0.17 0.21 1.32 -1.00 -2.34 0.00 0.00 174.74 173.10 1q53 h PRO 84 N 6.46 0.50 -0.95 2.88 0.13 -1.88 -2.22 132.00 136.92 1q53 h PRO 84 Ca -0.42 -0.48 0.08 0.00 -0.87 0.00 0.00 66.00 64.31 1q53 h PRO 84 Cb 1.19 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1q53 h PRO 84 CO 0.74 1.12 0.60 0.00 -0.23 0.00 0.00 178.00 180.23 1q53 h ALA 85 N 0.72 1.36 -0.06 -0.56 0.00 -1.95 1.08 119.26 119.84 1q53 h ALA 85 Ca -0.07 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1q53 h ALA 85 Cb 1.50 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1q53 h ALA 85 CO 0.16 0.31 -0.80 1.25 0.00 0.00 0.00 179.25 180.18 1q53 h HIS 86 N 1.04 0.59 -0.22 0.00 -0.00 -1.87 -2.60 115.15 112.09 1q53 h HIS 86 Ca 0.43 -0.28 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1q53 h HIS 86 Cb 0.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1q53 h HIS 86 CO -0.02 1.06 -0.02 0.28 -0.00 0.00 0.00 177.93 179.24 1q53 h VAL 87 N 0.28 1.27 -0.59 5.26 2.07 -0.44 0.91 116.25 125.00 1q53 h VAL 87 Ca -0.05 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1q53 h VAL 87 Cb 1.40 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1q53 h VAL 87 CO 0.14 0.29 0.30 -0.08 0.02 0.00 0.00 177.57 178.24 1q53 h GLU 88 N 0.15 0.53 -0.01 1.57 4.22 0.11 0.24 114.58 121.41 1q53 h GLU 88 Ca 0.06 -0.03 -0.21 0.00 0.08 0.00 0.00 59.36 59.25 1q53 h GLU 88 Cb 0.45 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1q53 h GLU 88 CO 0.02 0.35 -0.90 0.74 -2.18 0.00 0.00 179.01 177.04 1q53 h PHE 89 N 0.55 0.52 -0.37 0.92 0.04 -1.32 -3.07 116.94 114.22 1q53 h PHE 89 Ca 0.27 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1q53 h PHE 89 Cb 0.21 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1q53 h PHE 89 CO -0.11 1.09 0.08 0.00 -0.60 0.00 0.00 178.31 178.78 1q53 h ALA 90 N 0.82 1.46 -0.36 2.45 0.00 0.16 1.10 119.26 124.89 1q53 h ALA 90 Ca -0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1q53 h ALA 90 Cb 1.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1q53 h ALA 90 CO 0.15 0.40 0.04 1.15 0.00 0.00 0.00 179.25 180.98 1q53 h THR 91 N 0.53 1.25 0.01 0.00 2.02 -0.48 1.18 112.91 117.41 1q53 h THR 91 Ca 0.12 -0.90 -0.22 0.00 0.77 0.00 0.00 66.41 66.19 1q53 h THR 91 Cb 0.21 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1q53 h THR 91 CO -0.00 0.30 -0.93 0.40 0.37 0.00 0.00 175.52 175.65 1q53 h ILE 92 N 0.44 1.43 -0.05 3.11 2.04 -1.33 -3.19 117.51 119.97 1q53 h ILE 92 Ca 0.11 -2.52 -0.16 0.00 1.00 0.00 0.00 64.86 63.29 1q53 h ILE 92 Cb 0.40 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1q53 h ILE 92 CO 0.01 0.75 -0.68 0.15 0.00 0.00 0.00 178.15 178.37 1q53 h PHE 93 N 0.19 0.29 -0.28 1.37 3.04 0.14 -2.86 116.94 118.83 1q53 h PHE 93 Ca -0.07 -0.12 0.08 0.00 3.98 0.00 0.00 57.97 61.84 1q53 h PHE 93 Cb 1.57 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.02 1q53 h PHE 93 CO 0.05 0.83 0.28 -0.07 -2.02 0.00 0.00 178.31 177.39 1q53 h LEU 94 N 0.15 0.00 0.05 0.59 3.38 0.15 0.19 115.31 119.82 1q53 h LEU 94 Ca -0.02 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 1q53 h LEU 94 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1q53 h LEU 94 CO 0.10 0.00 -1.47 1.23 0.09 0.00 0.00 178.44 178.39 1q53 h GLY 95 N 0.00 0.13 -0.48 0.83 0.00 -1.59 -3.34 103.07 98.62 1q53 h GLY 95 Ca 0.13 -0.32 0.19 0.00 0.00 0.00 0.00 47.33 47.33 1q53 h GLY 95 CO -0.00 0.28 0.01 1.76 0.00 0.00 0.00 176.54 178.60 1q53 h SER 96 N 0.03 -0.37 -3.15 0.19 0.02 -0.52 -3.39 113.55 106.36 1q53 h SER 96 Ca -0.21 0.21 -0.64 0.00 -0.84 0.00 0.00 61.79 60.32 1q53 h SER 96 Cb 1.95 0.37 -0.09 0.00 0.14 0.00 0.00 62.40 64.78 1q53 h SER 96 CO 0.13 -0.21 -0.59 -1.48 -1.14 0.00 0.00 176.83 173.54 1q53 s LEU 97 N -10.83 3.85 -0.03 5.07 -0.00 -1.19 -4.46 118.68 111.09 1q53 s LEU 97 Ca -0.13 0.04 -0.01 0.00 -0.00 0.00 0.00 54.13 54.02 1q53 s LEU 97 Cb 0.24 -2.46 -0.01 0.00 -0.00 0.00 0.00 46.19 43.96 1q53 s LEU 97 CO 0.76 0.20 0.12 -0.78 -0.00 0.00 0.00 176.35 176.64 1q53 h ASP 98 N 3.47 -0.04 -4.12 1.48 1.82 0.21 -3.46 116.42 115.78 1q53 h ASP 98 Ca -0.47 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 55.69 1q53 h ASP 98 Cb 1.17 0.01 0.03 0.00 0.68 0.00 0.00 39.33 41.22 1q53 h ASP 98 CO 0.66 0.14 0.38 -0.54 -1.61 0.00 0.00 179.24 178.27 1q53 s LYS 99 N -1.49 3.69 -0.25 0.28 -0.14 -1.00 -4.84 119.74 115.98 1q53 s LYS 99 Ca -0.01 1.27 -0.03 0.00 -1.36 0.00 0.00 55.97 55.85 1q53 s LYS 99 Cb 0.00 -2.08 0.14 0.00 -1.68 0.00 0.00 37.83 34.21 1q53 s LYS 99 CO 0.02 -0.52 0.43 0.14 -0.76 0.00 0.00 175.35 174.66 1q53 s VAL 100 N -2.18 -0.69 -0.08 3.17 -7.23 -1.25 -3.02 120.40 109.12 1q53 s VAL 100 Ca 0.65 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.79 1q53 s VAL 100 Cb -0.15 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.97 1q53 s VAL 100 CO 0.26 -0.08 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.13 1q53 s LEU 101 N 2.62 1.26 -0.24 1.32 2.01 -0.52 -4.97 118.68 120.16 1q53 s LEU 101 Ca 0.13 -0.23 -0.10 0.00 0.01 0.00 0.00 54.13 53.93 1q53 s LEU 101 Cb -0.15 -0.70 -0.05 0.00 0.01 0.00 0.00 46.19 45.31 1q53 s LEU 101 CO -0.17 -0.07 0.14 -0.69 1.01 0.00 0.00 176.35 176.58 1q53 s VAL 102 N 1.28 5.18 -0.01 -1.59 1.01 -1.26 -0.54 120.40 124.48 1q53 s VAL 102 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1q53 s VAL 102 Cb -0.14 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1q53 s VAL 102 CO -0.03 0.34 0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1q53 s ILE 103 N 1.13 0.05 -0.13 2.22 -1.09 0.16 -5.00 121.20 118.54 1q53 s ILE 103 Ca 0.07 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.04 1q53 s ILE 103 Cb -0.14 -0.23 -0.03 0.00 -1.58 0.00 0.00 42.46 40.49 1q53 s ILE 103 CO 0.05 -0.24 -0.06 -1.81 -1.23 0.00 0.00 174.94 171.65 1q53 s ASP 104 N -0.73 4.61 -0.22 3.58 1.01 -1.26 0.16 116.67 123.81 1q53 s ASP 104 Ca -0.08 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.05 1q53 s ASP 104 Cb -0.05 -1.58 0.05 0.00 1.01 0.00 0.00 42.92 42.35 1q53 s ASP 104 CO 0.00 0.22 -0.08 -0.47 0.21 0.00 0.00 175.17 175.06 1q53 s TYR 105 N 0.03 2.45 0.18 4.23 5.04 0.38 -4.85 117.35 124.81 1q53 s TYR 105 Ca -0.01 -1.71 0.08 0.00 -2.44 0.00 0.00 57.07 52.98 1q53 s TYR 105 Cb -0.14 -1.62 -0.04 0.00 0.35 0.00 0.00 41.96 40.51 1q53 s TYR 105 CO 0.03 -0.76 -0.03 0.15 -1.34 0.00 0.00 175.55 173.60 1q53 s LYS 106 N 1.38 2.31 -1.17 4.97 1.02 -1.26 -1.64 119.74 125.35 1q53 s LYS 106 Ca -0.04 -1.15 -0.21 0.00 0.02 0.00 0.00 55.97 54.59 1q53 s LYS 106 Cb -0.18 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1q53 s LYS 106 CO -0.07 0.45 1.80 -1.25 -0.92 0.00 0.00 175.35 175.36 1q53 s PRO 107 N -2.91 3.21 -0.60 -1.68 0.04 -1.26 -4.91 135.00 126.89 1q53 s PRO 107 Ca 0.27 -1.36 -0.19 0.00 0.04 0.00 0.00 61.00 59.76 1q53 s PRO 107 Cb -0.09 -5.35 0.10 0.00 0.04 0.00 0.00 34.50 29.20 1q53 s PRO 107 CO 0.18 -3.03 0.72 0.99 0.04 0.00 0.00 177.00 175.90 1q53 s THR 108 N 7.56 4.79 0.22 1.26 2.01 -1.26 -5.04 115.64 125.18 1q53 s THR 108 Ca 0.60 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1q53 s THR 108 Cb 0.00 -4.51 -0.06 0.00 0.01 0.00 0.00 72.50 67.94 1q53 s THR 108 CO 0.06 -1.15 0.51 -0.44 -0.69 0.00 0.00 174.62 172.91 1q53 s SER 109 N 3.64 6.56 -0.00 3.53 0.01 -1.26 -5.09 113.70 121.08 1q53 s SER 109 Ca 0.12 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.22 1q53 s SER 109 Cb -0.24 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1q53 s SER 109 CO 0.06 -0.07 -0.09 -0.69 0.41 0.00 0.00 173.24 172.86 1q53 s VAL 110 N -1.84 3.50 -0.02 3.43 1.01 -1.26 -5.08 120.40 120.14 1q53 s VAL 110 Ca 0.45 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1q53 s VAL 110 Cb -0.11 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1q53 s VAL 110 CO 0.24 0.43 1.38 -0.94 0.00 0.00 0.00 175.10 176.21 1q53 s SER 111 N -1.29 6.87 0.00 3.32 1.04 -1.26 -5.35 113.70 117.03 1q53 s SER 111 Ca 0.16 2.06 0.22 0.00 0.48 0.00 0.00 55.95 58.87 1q53 s SER 111 Cb -0.11 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.63 1q53 s SER 111 CO 0.06 -0.72 1.21 0.18 0.98 0.00 0.00 173.24 174.95