#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q53 s SER 2 N 0.00 1.97 0.79 1.61 0.15 -1.26 -5.15 113.70 111.81 1q53 s SER 2 Ca 0.00 -0.73 -0.10 0.00 0.70 0.00 0.00 55.95 55.82 1q53 s SER 2 Cb 0.00 -0.07 0.09 0.00 -1.71 0.00 0.00 66.02 64.33 1q53 s SER 2 CO 0.00 -0.09 1.13 -1.00 1.20 0.00 0.00 173.24 174.47 1q53 s HIS 3 N -1.73 2.68 0.91 3.44 4.02 -1.26 -5.02 115.29 118.33 1q53 s HIS 3 Ca 0.05 0.51 -0.14 0.00 1.02 0.00 0.00 55.06 56.50 1q53 s HIS 3 Cb -0.07 -3.45 -0.01 0.00 -1.02 0.00 0.00 32.58 28.03 1q53 s HIS 3 CO 0.03 -1.75 0.22 -1.33 1.02 0.00 0.00 174.74 172.93 1q53 n MET 4 N -3.20 -0.13 -2.13 1.40 2.00 -1.26 -4.97 117.12 108.83 1q53 n MET 4 Ca 0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.51 1q53 n MET 4 Cb 0.61 -1.70 0.04 0.00 0.00 0.00 0.00 33.22 32.16 1q53 n MET 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1q53 s GLU 5 N -3.17 2.97 -0.26 0.03 2.56 -1.26 -5.05 118.70 114.53 1q53 s GLU 5 Ca 0.56 0.28 -0.13 0.00 0.00 0.00 0.00 54.97 55.68 1q53 s GLU 5 Cb -0.24 -2.14 -0.05 0.00 2.00 0.00 0.00 34.13 33.71 1q53 s GLU 5 CO 0.68 -0.83 0.26 -1.21 -0.56 0.00 0.00 175.26 173.60 1q53 s GLU 6 N -5.17 4.02 -0.67 4.30 2.02 -1.26 -5.03 118.70 116.91 1q53 s GLU 6 Ca 0.56 -0.15 -0.26 0.00 0.02 0.00 0.00 54.97 55.13 1q53 s GLU 6 Cb -0.11 -3.62 0.04 0.00 0.10 0.00 0.00 34.13 30.54 1q53 s GLU 6 CO 0.49 -0.14 1.17 0.00 0.02 0.00 0.00 175.26 176.80 1q53 s ALA 7 N 1.64 2.91 -0.15 5.21 0.00 -1.26 -4.80 121.76 125.32 1q53 s ALA 7 Ca 0.11 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 1q53 s ALA 7 Cb -0.15 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 1q53 s ALA 7 CO 0.09 -2.97 -0.31 1.17 0.00 0.00 0.00 175.76 173.74 1q53 n LYS 8 N 8.67 0.47 -2.62 0.00 4.81 -1.26 -5.06 118.16 123.17 1q53 n LYS 8 Ca 0.03 0.19 -0.15 0.00 -0.87 0.00 0.00 58.31 57.51 1q53 n LYS 8 Cb 0.48 -1.31 0.02 0.00 0.02 0.00 0.00 35.03 34.24 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 1.70 2.40 3.79 3.14 0.00 -1.26 -4.70 105.19 110.25 1q53 n GLY 9 Ca -0.16 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 1q53 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q53 s PRO 10 N -3.57 1.14 -0.11 1.61 0.04 -1.26 -5.15 135.00 127.70 1q53 s PRO 10 Ca 0.30 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 1q53 s PRO 10 Cb -0.02 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1q53 s PRO 10 CO 0.19 -2.20 0.07 0.08 0.04 0.00 0.00 177.00 175.18 1q53 s VAL 11 N -3.29 4.94 -0.15 -0.36 1.01 -1.21 -4.94 120.40 116.41 1q53 s VAL 11 Ca 0.64 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1q53 s VAL 11 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1q53 s VAL 11 CO 0.53 0.60 0.01 -0.54 0.00 0.00 0.00 175.10 175.70 1q53 s LYS 12 N -0.84 3.63 -0.21 2.72 3.01 -0.87 -3.18 119.74 124.00 1q53 s LYS 12 Ca 0.13 -0.43 -0.03 0.00 -1.01 0.00 0.00 55.97 54.63 1q53 s LYS 12 Cb -0.12 -3.00 -0.01 0.00 -1.01 0.00 0.00 37.83 33.70 1q53 s LYS 12 CO 0.03 0.36 -0.06 -1.58 0.51 0.00 0.00 175.35 174.61 1q53 s HIS 13 N 0.06 2.93 -0.27 3.18 2.46 -1.02 0.19 115.29 122.82 1q53 s HIS 13 Ca 0.02 -0.97 -0.11 0.00 0.47 0.00 0.00 55.06 54.48 1q53 s HIS 13 Cb -0.13 -2.07 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 1q53 s HIS 13 CO 0.02 -0.54 0.18 0.08 -2.47 0.00 0.00 174.74 172.01 1q53 s VAL 14 N 1.36 5.21 -0.00 0.89 1.01 0.47 -2.46 120.40 126.88 1q53 s VAL 14 Ca 0.04 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1q53 s VAL 14 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1q53 s VAL 14 CO -0.03 0.27 -0.08 -1.48 0.00 0.00 0.00 175.10 173.77 1q53 s LEU 15 N 1.69 2.02 -0.07 3.92 0.05 -1.12 0.14 118.68 125.31 1q53 s LEU 15 Ca 0.07 -0.16 0.05 0.00 0.05 0.00 0.00 54.13 54.13 1q53 s LEU 15 Cb -0.16 -0.42 -0.00 0.00 -2.05 0.00 0.00 46.19 43.56 1q53 s LEU 15 CO 0.10 0.09 -0.22 -0.22 -0.55 0.00 0.00 176.35 175.55 1q53 s LEU 16 N -0.24 2.00 0.01 1.48 1.98 0.12 -0.55 118.68 123.48 1q53 s LEU 16 Ca 0.03 -0.48 0.01 0.00 -2.89 0.00 0.00 54.13 50.80 1q53 s LEU 16 Cb -0.03 -1.26 -0.01 0.00 0.66 0.00 0.00 46.19 45.55 1q53 s LEU 16 CO -0.00 0.17 -0.03 0.00 -1.89 0.00 0.00 176.35 174.60 1q53 s ALA 17 N 0.15 0.19 -0.10 5.97 0.00 -1.25 0.99 121.76 127.72 1q53 s ALA 17 Ca -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1q53 s ALA 17 Cb -0.15 0.00 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1q53 s ALA 17 CO 0.05 -0.00 -0.14 0.45 0.00 0.00 0.00 175.76 176.12 1q53 s SER 18 N -0.46 2.33 -0.32 0.00 0.15 -0.44 -4.38 113.70 110.59 1q53 s SER 18 Ca -0.03 -0.40 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 1q53 s SER 18 Cb -0.03 -1.04 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 1q53 s SER 18 CO -0.00 0.01 1.24 -0.36 1.20 0.00 0.00 173.24 175.33 1q53 s PHE 19 N 0.99 2.78 1.00 3.44 0.40 -1.26 -1.48 117.98 123.85 1q53 s PHE 19 Ca -0.07 0.92 -0.16 0.00 -0.60 0.00 0.00 56.93 57.02 1q53 s PHE 19 Cb -0.15 -3.92 -0.02 0.00 0.51 0.00 0.00 43.02 39.44 1q53 s PHE 19 CO -0.01 -1.48 -0.16 1.17 0.70 0.00 0.00 175.22 175.44 1q53 n LYS 20 N 7.29 -0.41 -2.31 0.44 4.81 -1.26 -4.81 118.16 121.90 1q53 n LYS 20 Ca 0.14 -0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 57.06 1q53 n LYS 20 Cb 0.47 -1.53 -0.02 0.00 0.02 0.00 0.00 35.03 33.97 1q53 n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1q53 s ASP 21 N -1.63 6.81 0.00 3.14 2.15 -1.26 -3.24 116.67 122.64 1q53 s ASP 21 Ca 0.50 1.75 0.00 0.00 0.43 0.00 0.00 52.55 55.23 1q53 s ASP 21 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1q53 s ASP 21 CO 0.71 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1q53 n GLY 22 N 3.88 1.33 3.70 2.66 0.00 -1.26 -5.11 105.19 110.38 1q53 n GLY 22 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.02 4.68 0.60 1.61 1.01 -1.20 -5.00 120.40 122.08 1q53 s VAL 23 Ca 0.00 1.94 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 1q53 s VAL 23 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1q53 s VAL 23 CO 0.00 0.07 1.28 -0.44 0.00 0.00 0.00 175.10 176.01 1q53 s SER 24 N 1.11 4.97 0.11 3.32 0.01 -1.26 -4.94 113.70 117.02 1q53 s SER 24 Ca 0.52 2.58 -0.09 0.00 1.31 0.00 0.00 55.95 60.27 1q53 s SER 24 Cb -0.21 -2.62 -0.13 0.00 0.21 0.00 0.00 66.02 63.28 1q53 s SER 24 CO 0.23 -1.76 1.29 1.55 0.41 0.00 0.00 173.24 174.96 1q53 h PRO 25 N 0.90 0.59 -0.24 12.44 0.13 -2.00 -3.07 132.00 140.74 1q53 h PRO 25 Ca -0.51 -0.57 0.07 0.00 -0.87 0.00 0.00 66.00 64.12 1q53 h PRO 25 Cb 1.32 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1q53 h PRO 25 CO 0.55 1.19 0.18 0.93 -0.23 0.00 0.00 178.00 180.61 1q53 h GLU 26 N 0.36 0.00 -0.01 0.86 5.08 -2.00 0.15 114.58 119.02 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 1.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1q53 h GLU 26 CO 0.17 0.00 -0.87 -0.22 -1.00 0.00 0.00 179.01 177.09 1q53 h LYS 27 N 0.00 0.27 -0.24 2.33 3.11 -1.93 -2.48 116.57 117.64 1q53 h LYS 27 Ca 0.12 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1q53 h LYS 27 Cb 0.47 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1q53 h LYS 27 CO -0.00 0.99 0.15 0.82 -2.81 0.00 0.00 179.45 178.60 1q53 h ILE 28 N 0.16 1.05 0.00 2.00 2.04 -0.64 -0.76 117.51 121.35 1q53 h ILE 28 Ca -0.05 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1q53 h ILE 28 Cb 1.49 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1q53 h ILE 28 CO 0.14 0.06 -0.32 1.05 0.00 0.00 0.00 178.15 179.08 1q53 h GLU 29 N 0.32 0.00 -0.09 2.37 4.11 -1.40 -2.09 114.58 117.80 1q53 h GLU 29 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 1q53 h GLU 29 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1q53 h GLU 29 CO -0.03 0.32 -0.34 0.93 0.07 0.00 0.00 179.01 179.96 1q53 h GLU 30 N 0.00 0.18 -0.05 1.06 5.08 -0.81 -1.05 114.58 118.99 1q53 h GLU 30 Ca -0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1q53 h GLU 30 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1q53 h GLU 30 CO 0.04 0.50 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.39 1q53 h LEU 31 N 0.16 0.18 -0.46 1.33 -0.00 -0.50 -0.81 115.31 115.20 1q53 h LEU 31 Ca 0.02 -0.55 0.04 0.00 -0.00 0.00 0.00 57.88 57.39 1q53 h LEU 31 Cb 0.68 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.25 1q53 h LEU 31 CO 0.05 0.70 0.22 0.40 -0.00 0.00 0.00 178.44 179.81 1q53 h ILE 32 N -0.34 0.95 -0.19 1.22 2.04 -1.31 1.42 117.51 121.29 1q53 h ILE 32 Ca 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1q53 h ILE 32 Cb 0.66 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1q53 h ILE 32 CO 0.02 0.08 -0.03 0.07 0.00 0.00 0.00 178.15 178.29 1q53 h LYS 33 N 0.44 0.28 0.06 2.37 2.10 -1.19 -2.82 116.57 117.82 1q53 h LYS 33 Ca 0.20 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1q53 h LYS 33 Cb 0.12 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1q53 h LYS 33 CO -0.15 0.34 -0.03 0.78 -2.00 0.00 0.00 179.45 178.39 1q53 h GLY 34 N 0.62 -0.09 -0.99 0.07 0.00 0.55 -3.20 103.07 100.03 1q53 h GLY 34 Ca 0.06 0.03 0.25 0.00 0.00 0.00 0.00 47.33 47.67 1q53 h GLY 34 CO 0.01 -0.03 -0.07 -1.72 0.00 0.00 0.00 176.54 174.73 1q53 n TYR 35 N -4.78 0.54 -0.21 5.60 4.01 0.47 0.19 117.16 122.98 1q53 n TYR 35 Ca -0.07 1.20 -0.05 0.00 -0.16 0.00 0.00 57.90 58.82 1q53 n TYR 35 Cb 0.30 -1.19 0.05 0.00 -0.31 0.00 0.00 39.34 38.19 1q53 n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q53 h ALA 36 N 1.99 0.77 -0.52 -0.72 0.00 -1.60 1.49 119.26 120.67 1q53 h ALA 36 Ca 0.56 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.34 1q53 h ALA 36 Cb 1.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1q53 h ALA 36 CO -0.97 0.11 -0.14 -0.97 0.00 0.00 0.00 179.25 177.29 1q53 h ASN 37 N 0.73 1.01 0.05 0.00 -1.24 0.21 -0.63 115.58 115.70 1q53 h ASN 37 Ca 0.24 -0.34 -0.12 0.00 0.71 0.00 0.00 56.30 56.78 1q53 h ASN 37 Cb 0.01 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 1q53 h ASN 37 CO -0.10 1.13 -0.39 0.25 -1.29 0.00 0.00 177.43 177.04 1q53 h LEU 38 N 0.88 0.47 -0.96 0.34 5.85 0.21 -0.60 115.31 121.50 1q53 h LEU 38 Ca 0.13 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1q53 h LEU 38 Cb 0.70 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1q53 h LEU 38 CO 0.05 0.81 -0.34 0.58 -0.34 0.00 0.00 178.44 179.20 1q53 h VAL 39 N 0.37 1.28 -0.03 1.05 2.07 0.24 0.28 116.25 121.52 1q53 h VAL 39 Ca 0.04 -1.39 -0.19 0.00 0.82 0.00 0.00 66.70 65.98 1q53 h VAL 39 Cb 0.85 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1q53 h VAL 39 CO 0.07 0.42 -0.80 -1.13 0.02 0.00 0.00 177.57 176.15 1q53 h ASN 40 N 0.28 0.35 0.18 0.57 -1.24 -0.69 -3.34 115.58 111.70 1q53 h ASN 40 Ca 0.03 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 1q53 h ASN 40 Cb 0.74 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1q53 h ASN 40 CO 0.06 1.02 -0.09 -0.07 -1.29 0.00 0.00 177.43 177.05 1q53 h LEU 41 N 0.18 -0.21 -8.59 0.34 3.38 -0.68 -3.44 115.31 106.29 1q53 h LEU 41 Ca -0.04 0.01 -0.81 0.00 0.09 0.00 0.00 57.88 57.13 1q53 h LEU 41 Cb 1.39 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1q53 h LEU 41 CO 0.13 0.03 1.00 -0.38 0.09 0.00 0.00 178.44 179.31 1q53 n ILE 42 N -3.64 0.04 0.11 1.22 2.08 0.95 -4.81 119.36 115.32 1q53 n ILE 42 Ca -0.03 -0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.13 1q53 n ILE 42 Cb 0.10 -0.64 -0.06 0.00 -0.75 0.00 0.00 39.64 38.29 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 7.24 -0.52 -5.85 0.38 4.39 -1.86 -3.31 114.58 115.04 1q53 h GLU 43 Ca -0.30 0.04 -0.47 0.00 0.34 0.00 0.00 59.36 58.97 1q53 h GLU 43 Cb 1.38 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.08 1q53 h GLU 43 CO 1.02 -0.35 1.28 -1.25 -1.16 0.00 0.00 179.01 178.55 1q53 s PRO 44 N -6.00 3.13 -0.08 2.33 0.04 -1.26 -4.89 135.00 128.27 1q53 s PRO 44 Ca -0.16 -0.97 -0.13 0.00 0.04 0.00 0.00 61.00 59.79 1q53 s PRO 44 Cb 0.08 -5.27 0.03 0.00 0.04 0.00 0.00 34.50 29.38 1q53 s PRO 44 CO 0.65 -2.87 0.32 -1.64 0.04 0.00 0.00 177.00 173.49 1q53 s MET 45 N 5.79 0.50 0.00 4.56 -1.94 -1.25 -4.90 119.30 122.05 1q53 s MET 45 Ca 0.59 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 1q53 s MET 45 Cb -0.02 0.23 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1q53 s MET 45 CO -0.01 -0.10 0.00 1.63 -0.01 0.00 0.00 175.02 176.53 1q53 n LYS 46 N 2.27 0.00 -3.59 2.03 4.76 -1.18 -5.07 118.16 117.38 1q53 n LYS 46 Ca -0.16 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.23 1q53 n LYS 46 Cb 0.57 -0.51 -0.05 0.00 -1.84 0.00 0.00 35.03 33.20 1q53 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q53 s ALA 47 N -3.19 -1.95 -0.34 7.82 0.00 -1.26 -5.05 121.76 117.79 1q53 s ALA 47 Ca 0.00 1.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 1q53 s ALA 47 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1q53 s ALA 47 CO 0.00 -0.30 0.30 0.12 0.00 0.00 0.00 175.76 175.88 1q53 s PHE 48 N -0.99 3.22 0.33 0.00 5.36 -1.26 -3.71 117.98 120.93 1q53 s PHE 48 Ca -0.01 -0.09 0.07 0.00 -0.96 0.00 0.00 56.93 55.95 1q53 s PHE 48 Cb -0.01 -2.57 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 1q53 s PHE 48 CO 0.00 -0.38 0.34 -1.01 -1.46 0.00 0.00 175.22 172.71 1q53 s HIS 49 N 1.88 2.98 0.41 10.12 3.76 -1.21 -5.11 115.29 128.11 1q53 s HIS 49 Ca 0.09 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.81 1q53 s HIS 49 Cb -0.17 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 1q53 s HIS 49 CO 0.11 0.15 0.40 -1.58 -0.85 0.00 0.00 174.74 172.97 1q53 s TRP 50 N -2.26 2.75 -0.34 1.40 0.52 -1.26 -4.21 118.94 115.54 1q53 s TRP 50 Ca 0.42 -0.46 -0.05 0.00 0.02 0.00 0.00 56.10 56.02 1q53 s TRP 50 Cb -0.07 -2.16 0.23 0.00 -1.15 0.00 0.00 33.47 30.32 1q53 s TRP 50 CO 0.28 -0.13 1.14 0.41 0.02 0.00 0.00 176.95 178.66 1q53 n GLY 51 N -1.58 -1.70 3.67 0.98 0.00 -1.25 -4.81 105.19 100.50 1q53 n GLY 51 Ca 0.04 1.20 -0.34 0.00 0.00 0.00 0.00 46.02 46.92 1q53 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q53 s LYS 52 N 0.72 2.86 0.10 1.61 -2.85 -1.26 -0.57 119.74 120.35 1q53 s LYS 52 Ca 0.24 -0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 1q53 s LYS 52 Cb 0.15 -2.71 -0.07 0.00 -2.06 0.00 0.00 37.83 33.14 1q53 s LYS 52 CO -0.10 0.66 1.35 0.16 0.10 0.00 0.00 175.35 177.52 1q53 s ASP 53 N -1.23 6.87 0.58 0.03 -4.77 -1.26 -5.00 116.67 111.89 1q53 s ASP 53 Ca 0.16 2.26 -0.13 0.00 -3.30 0.00 0.00 52.55 51.55 1q53 s ASP 53 Cb -0.11 -2.58 -0.05 0.00 -1.09 0.00 0.00 42.92 39.08 1q53 s ASP 53 CO 0.06 -0.62 1.01 0.68 0.70 0.00 0.00 175.17 177.01 1q53 s VAL 54 N 1.11 4.61 -0.92 2.11 -7.23 -1.26 -4.84 120.40 113.98 1q53 s VAL 54 Ca 0.63 1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 61.59 1q53 s VAL 54 Cb -0.35 -3.79 -0.23 0.00 0.56 0.00 0.00 36.38 32.56 1q53 s VAL 54 CO 0.30 -0.95 2.47 -1.20 -0.31 0.00 0.00 175.10 175.42 1q53 n SER 55 N -2.27 0.10 -1.00 4.85 7.64 -1.26 -4.67 113.62 117.01 1q53 n SER 55 Ca 0.06 -0.26 0.06 0.00 1.01 0.00 0.00 58.87 59.74 1q53 n SER 55 Cb 0.54 -0.94 0.21 0.00 -1.01 0.00 0.00 64.21 63.01 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 7.04 0.99 0.00 0.44 0.13 -1.26 -4.94 119.36 121.76 1q53 n ILE 56 Ca 0.62 -0.67 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 1q53 n ILE 56 Cb 0.16 0.02 0.00 0.00 -0.84 0.00 0.00 39.64 38.98 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 0.60 0.00 -2.69 9.51 -0.58 -1.26 -3.44 120.64 122.78 1q53 n GLU 57 Ca 0.15 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.84 1q53 n GLU 57 Cb 0.54 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.46 1q53 n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1q53 n ASN 58 N 2.12 -1.77 -2.75 1.62 2.85 -1.26 -5.07 115.26 110.99 1q53 n ASN 58 Ca 0.00 -1.92 -0.05 0.00 -0.11 0.00 0.00 54.58 52.50 1q53 n ASN 58 Cb 0.00 0.99 0.03 0.00 1.24 0.00 0.00 39.78 42.03 1q53 n ASN 58 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1q53 n LEU 59 N 1.92 -3.21 -3.79 1.20 -0.00 -1.22 -5.13 117.00 106.77 1q53 n LEU 59 Ca 0.06 -3.01 -0.13 0.00 -0.00 0.00 0.00 56.01 52.94 1q53 n LEU 59 Cb 0.67 0.78 -0.12 0.00 -0.00 0.00 0.00 43.42 44.75 1q53 n LEU 59 CO -0.09 1.94 -0.14 -1.38 -0.00 0.00 0.00 177.39 177.72 1q53 s HIS 60 N 0.80 -0.24 -0.32 1.96 -3.43 -1.26 -4.94 115.29 107.87 1q53 s HIS 60 Ca 0.31 0.58 0.21 0.00 -0.80 0.00 0.00 55.06 55.36 1q53 s HIS 60 Cb 0.09 0.06 0.18 0.00 -1.43 0.00 0.00 32.58 31.48 1q53 s HIS 60 CO -0.12 -0.13 1.41 1.96 -2.00 0.00 0.00 174.74 175.85 1q53 h GLN 61 N 6.13 0.00 0.00 -0.38 7.50 -2.05 -3.46 115.11 122.84 1q53 h GLN 61 Ca -0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1q53 h GLN 61 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 1q53 h GLN 61 CO 0.38 0.13 0.00 0.41 -1.50 0.00 0.00 178.83 178.25 1q53 n GLY 62 N 1.16 0.58 0.18 3.46 0.00 -1.26 -5.06 105.19 104.26 1q53 n GLY 62 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 0.99 0.00 1.61 -1.99 -1.90 -3.42 116.97 112.26 1q53 h TYR 63 Ca 0.00 -0.57 0.00 0.00 2.00 0.00 0.00 58.73 60.16 1q53 h TYR 63 Cb 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.63 1q53 h TYR 63 CO 0.00 1.40 0.00 0.25 -0.00 0.00 0.00 178.16 179.81 1q53 n THR 64 N -3.88 0.00 -3.84 -2.88 -2.24 -1.26 -4.48 114.28 95.70 1q53 n THR 64 Ca -0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1q53 n THR 64 Cb 0.89 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.09 -0.00 4.78 3.76 -1.26 -4.15 115.29 118.33 1q53 s HIS 65 Ca 0.00 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1q53 s HIS 65 Cb 0.00 0.74 0.00 0.00 1.11 0.00 0.00 32.58 34.43 1q53 s HIS 65 CO 0.00 -1.29 -0.01 0.96 -0.85 0.00 0.00 174.74 173.55 1q53 s ILE 66 N -3.35 0.11 -0.37 0.60 -4.36 0.27 -3.74 121.20 110.36 1q53 s ILE 66 Ca 0.13 -0.03 -0.13 0.00 -0.26 0.00 0.00 60.65 60.36 1q53 s ILE 66 Cb -0.05 -0.12 0.01 0.00 1.25 0.00 0.00 42.46 43.54 1q53 s ILE 66 CO 0.08 0.05 0.24 -0.36 0.24 0.00 0.00 174.94 175.18 1q53 s PHE 67 N 0.13 3.23 -0.41 1.37 0.08 0.29 -3.79 117.98 118.87 1q53 s PHE 67 Ca -0.01 -0.57 -0.16 0.00 0.12 0.00 0.00 56.93 56.31 1q53 s PHE 67 Cb -0.03 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 1q53 s PHE 67 CO -0.00 -0.52 0.37 -2.00 -0.10 0.00 0.00 175.22 172.97 1q53 s GLU 68 N 1.65 3.04 -0.21 0.44 2.12 -1.26 -2.80 118.70 121.69 1q53 s GLU 68 Ca 0.05 -0.88 -0.05 0.00 0.36 0.00 0.00 54.97 54.44 1q53 s GLU 68 Cb -0.18 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 1q53 s GLU 68 CO 0.09 -0.80 0.00 0.45 -0.54 0.00 0.00 175.26 174.47 1q53 s SER 69 N 1.75 4.84 -0.17 -1.70 0.15 -1.03 -3.35 113.70 114.19 1q53 s SER 69 Ca 0.09 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 1q53 s SER 69 Cb -0.18 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1q53 s SER 69 CO 0.12 0.05 0.22 -0.89 1.20 0.00 0.00 173.24 173.94 1q53 s THR 70 N 1.07 5.36 0.32 6.45 2.01 -1.24 -2.43 115.64 127.17 1q53 s THR 70 Ca 0.02 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.43 1q53 s THR 70 Cb -0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1q53 s THR 70 CO 0.02 0.43 0.08 -0.36 -0.69 0.00 0.00 174.62 174.09 1q53 s PHE 71 N 0.31 1.82 -0.13 4.92 0.08 -1.19 -3.10 117.98 120.69 1q53 s PHE 71 Ca 0.13 -1.07 -0.14 0.00 0.12 0.00 0.00 56.93 55.96 1q53 s PHE 71 Cb -0.12 -1.16 -0.12 0.00 -0.57 0.00 0.00 43.02 41.05 1q53 s PHE 71 CO 0.01 -0.14 0.29 1.49 -0.10 0.00 0.00 175.22 176.78 1q53 h GLU 72 N 2.14 0.00 -3.93 0.44 4.81 -1.96 -3.20 114.58 112.89 1q53 h GLU 72 Ca -0.39 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 1q53 h GLU 72 Cb 1.25 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.51 1q53 h GLU 72 CO 0.65 0.48 -0.30 -1.12 -0.73 0.00 0.00 179.01 178.00 1q53 s SER 73 N -5.96 0.01 0.52 1.04 0.01 -1.26 -4.69 113.70 103.37 1q53 s SER 73 Ca -0.12 -0.99 0.16 0.00 1.31 0.00 0.00 55.95 56.31 1q53 s SER 73 Cb -0.00 0.49 1.27 0.00 0.21 0.00 0.00 66.02 67.98 1q53 s SER 73 CO 0.34 -0.98 2.14 0.50 0.41 0.00 0.00 173.24 175.65 1q53 h LYS 74 N 2.44 0.01 -0.46 12.44 3.64 -2.00 -0.45 116.57 132.18 1q53 h LYS 74 Ca -0.30 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1q53 h LYS 74 Cb 1.24 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1q53 h LYS 74 CO 0.44 0.00 -0.16 0.93 -2.27 0.00 0.00 179.45 178.40 1q53 h GLU 75 N 0.01 0.89 -0.46 1.90 5.08 -2.01 -2.68 114.58 117.31 1q53 h GLU 75 Ca 0.01 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1q53 h GLU 75 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1q53 h GLU 75 CO -0.00 0.98 -0.01 0.00 -1.00 0.00 0.00 179.01 178.98 1q53 h ALA 76 N 1.03 1.11 -0.70 3.43 0.00 -1.50 -2.51 119.26 120.14 1q53 h ALA 76 Ca 0.12 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1q53 h ALA 76 Cb 0.69 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1q53 h ALA 76 CO 0.05 0.56 0.31 0.28 0.00 0.00 0.00 179.25 180.46 1q53 h VAL 77 N 0.71 0.79 -0.86 0.00 2.07 -1.06 0.26 116.25 118.16 1q53 h VAL 77 Ca 0.14 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1q53 h VAL 77 Cb 0.46 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1q53 h VAL 77 CO 0.02 0.09 0.56 0.00 0.02 0.00 0.00 177.57 178.27 1q53 h ALA 78 N 1.45 1.55 -0.36 1.67 0.00 -1.34 1.17 119.26 123.41 1q53 h ALA 78 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1q53 h ALA 78 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q53 h ALA 78 CO -0.31 0.32 0.03 1.49 0.00 0.00 0.00 179.25 180.78 1q53 h GLU 79 N 0.97 0.61 -0.08 0.00 4.81 -0.48 0.66 114.58 121.08 1q53 h GLU 79 Ca 0.37 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1q53 h GLU 79 Cb 0.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1q53 h GLU 79 CO -0.13 0.71 -0.65 -0.92 -0.73 0.00 0.00 179.01 177.28 1q53 h TYR 80 N 0.44 0.40 -0.01 0.92 3.20 0.12 -0.04 116.97 122.00 1q53 h TYR 80 Ca 0.10 -0.16 -0.18 0.00 3.14 0.00 0.00 58.73 61.63 1q53 h TYR 80 Cb 0.41 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1q53 h TYR 80 CO 0.03 0.87 -0.82 0.82 -1.64 0.00 0.00 178.16 177.42 1q53 h ILE 81 N 0.22 1.49 -0.03 1.81 1.08 0.15 -3.13 117.51 119.11 1q53 h ILE 81 Ca -0.01 -2.54 -0.22 0.00 -0.39 0.00 0.00 64.86 61.70 1q53 h ILE 81 Cb 1.19 2.39 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1q53 h ILE 81 CO 0.11 0.74 -0.88 0.00 -0.69 0.00 0.00 178.15 177.42 1q53 h ALA 82 N 1.06 0.41 -1.15 1.87 0.00 0.47 -3.42 119.26 118.51 1q53 h ALA 82 Ca -0.03 -0.68 -0.68 0.00 0.00 0.00 0.00 54.91 53.52 1q53 h ALA 82 Cb 1.42 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 19.28 1q53 h ALA 82 CO 0.12 0.79 -0.32 1.58 0.00 0.00 0.00 179.25 181.42 1q53 n HIS 83 N -3.78 -0.02 0.02 0.00 -0.00 -0.04 -4.79 115.22 106.61 1q53 n HIS 83 Ca -0.06 0.94 -0.18 0.00 -0.00 0.00 0.00 57.72 58.42 1q53 n HIS 83 Cb 0.80 -2.03 -0.08 0.00 -0.00 0.00 0.00 29.99 28.68 1q53 n HIS 83 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1q53 h PRO 84 N 1.54 0.68 -0.86 1.57 0.13 -1.88 -1.16 132.00 132.02 1q53 h PRO 84 Ca -0.34 -0.66 0.08 0.00 -0.87 0.00 0.00 66.00 64.21 1q53 h PRO 84 Cb 1.42 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.66 1q53 h PRO 84 CO 0.59 1.26 0.52 0.00 -0.23 0.00 0.00 178.00 180.15 1q53 h ALA 85 N 0.52 1.21 -0.10 -0.56 0.00 -1.94 0.62 119.26 119.01 1q53 h ALA 85 Ca -0.09 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1q53 h ALA 85 Cb 1.57 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1q53 h ALA 85 CO 0.18 0.22 -0.82 1.25 0.00 0.00 0.00 179.25 180.09 1q53 h HIS 86 N 0.92 1.01 -0.77 0.00 -0.00 -1.81 -2.90 115.15 111.61 1q53 h HIS 86 Ca 0.39 -0.48 0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1q53 h HIS 86 Cb 0.25 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1q53 h HIS 86 CO -0.04 1.31 0.49 0.28 -0.00 0.00 0.00 177.93 179.98 1q53 h VAL 87 N 0.42 1.13 -0.34 5.26 2.07 -0.17 0.12 116.25 124.74 1q53 h VAL 87 Ca -0.08 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1q53 h VAL 87 Cb 1.47 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1q53 h VAL 87 CO 0.17 0.18 0.15 -0.08 0.02 0.00 0.00 177.57 178.01 1q53 h GLU 88 N 0.97 0.31 0.08 1.57 4.57 0.22 0.32 114.58 122.63 1q53 h GLU 88 Ca 0.30 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1q53 h GLU 88 Cb -0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1q53 h GLU 88 CO -0.10 0.21 -0.04 0.74 -1.18 0.00 0.00 179.01 178.64 1q53 h PHE 89 N 0.32 -0.10 -0.87 0.92 -1.00 -1.17 -0.44 116.94 114.59 1q53 h PHE 89 Ca 0.15 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.01 1q53 h PHE 89 Cb 0.08 0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.61 1q53 h PHE 89 CO -0.11 0.07 0.53 0.00 -1.61 0.00 0.00 178.31 177.19 1q53 h ALA 90 N 0.65 1.23 -0.85 2.45 0.00 -0.52 0.66 119.26 122.88 1q53 h ALA 90 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1q53 h ALA 90 Cb 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1q53 h ALA 90 CO 0.02 0.21 0.41 1.15 0.00 0.00 0.00 179.25 181.05 1q53 h THR 91 N 0.92 1.26 -0.11 0.00 2.02 -0.08 1.51 112.91 118.42 1q53 h THR 91 Ca 0.40 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1q53 h THR 91 Cb 0.28 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1q53 h THR 91 CO -0.21 0.31 -0.16 0.40 0.37 0.00 0.00 175.52 176.23 1q53 h ILE 92 N 1.20 1.37 0.13 3.11 2.04 0.65 0.35 117.51 126.37 1q53 h ILE 92 Ca 0.29 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1q53 h ILE 92 Cb 0.11 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1q53 h ILE 92 CO -0.04 0.40 -0.06 0.15 0.00 0.00 0.00 178.15 178.60 1q53 h PHE 93 N -0.11 -0.17 0.00 1.37 3.04 0.53 -2.73 116.94 118.87 1q53 h PHE 93 Ca 0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1q53 h PHE 93 Cb 0.71 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.28 1q53 h PHE 93 CO 0.10 0.15 -0.04 1.37 -2.02 0.00 0.00 178.31 177.87 1q53 h LEU 94 N -0.50 0.00 -1.07 0.59 8.10 0.21 -1.09 115.31 121.54 1q53 h LEU 94 Ca -0.02 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.98 1q53 h LEU 94 Cb 0.39 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.57 1q53 h LEU 94 CO 0.03 0.04 0.60 1.23 -4.11 0.00 0.00 178.44 176.22 1q53 h GLY 95 N 0.16 1.30 -5.00 0.17 0.00 -0.61 -3.11 103.07 95.98 1q53 h GLY 95 Ca -0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 47.33 46.30 1q53 h GLY 95 CO 0.01 0.49 -0.86 1.44 0.00 0.00 0.00 176.54 177.62 1q53 n SER 96 N -4.39 3.53 -4.46 0.19 7.64 -0.51 -5.06 113.62 110.58 1q53 n SER 96 Ca 0.11 -3.43 -0.30 0.00 1.01 0.00 0.00 58.87 56.26 1q53 n SER 96 Cb 0.03 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.59 1q53 n SER 96 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1q53 s LEU 97 N -3.30 2.59 -0.18 -3.43 0.20 -0.66 -4.32 118.68 109.59 1q53 s LEU 97 Ca 0.43 -0.56 -0.14 0.00 0.69 0.00 0.00 54.13 54.55 1q53 s LEU 97 Cb 0.37 -1.47 -0.08 0.00 -0.43 0.00 0.00 46.19 44.58 1q53 s LEU 97 CO -0.12 0.20 -0.12 -0.67 -0.29 0.00 0.00 176.35 175.35 1q53 n ASP 98 N 1.04 1.85 -3.79 3.68 -0.08 -0.55 -4.69 116.55 114.01 1q53 n ASP 98 Ca -0.16 0.51 -0.13 0.00 -1.51 0.00 0.00 54.79 53.50 1q53 n ASP 98 Cb 0.53 -0.87 -0.09 0.00 2.34 0.00 0.00 41.12 43.02 1q53 n ASP 98 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1q53 s LYS 99 N -2.40 0.61 -0.04 -0.67 -2.85 -1.16 -4.97 119.74 108.26 1q53 s LYS 99 Ca -0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 55.97 54.48 1q53 s LYS 99 Cb 0.04 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1q53 s LYS 99 CO 0.37 -0.16 0.08 0.54 0.10 0.00 0.00 175.35 176.28 1q53 s VAL 100 N -1.30 -0.02 -0.13 1.79 0.11 -1.26 -1.32 120.40 118.26 1q53 s VAL 100 Ca -0.14 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1q53 s VAL 100 Cb -0.06 -0.14 0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1q53 s VAL 100 CO 0.03 0.03 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.57 1q53 s LEU 101 N 0.44 1.22 -0.27 2.54 1.98 0.28 -4.98 118.68 119.89 1q53 s LEU 101 Ca -0.03 -0.44 -0.11 0.00 -2.89 0.00 0.00 54.13 50.66 1q53 s LEU 101 Cb -0.05 -0.76 -0.05 0.00 0.66 0.00 0.00 46.19 45.99 1q53 s LEU 101 CO -0.02 -0.18 0.17 0.54 -1.89 0.00 0.00 176.35 174.98 1q53 s VAL 102 N 1.75 5.22 0.03 1.68 0.11 -1.26 0.11 120.40 128.04 1q53 s VAL 102 Ca 0.03 0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1q53 s VAL 102 Cb -0.14 -3.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 1q53 s VAL 102 CO -0.07 0.27 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.26 1q53 s ILE 103 N 1.65 0.60 -0.11 7.04 -1.09 0.37 -4.98 121.20 124.68 1q53 s ILE 103 Ca 0.07 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1q53 s ILE 103 Cb -0.16 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 40.09 1q53 s ILE 103 CO 0.10 -0.18 -0.01 -0.62 -1.23 0.00 0.00 174.94 172.99 1q53 s ASP 104 N -1.11 5.08 -0.27 3.58 -1.08 -1.26 0.18 116.67 121.78 1q53 s ASP 104 Ca -0.05 0.04 -0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1q53 s ASP 104 Cb -0.07 -1.56 0.04 0.00 -1.46 0.00 0.00 42.92 39.87 1q53 s ASP 104 CO 0.00 0.30 -0.06 -0.47 0.52 0.00 0.00 175.17 175.47 1q53 s TYR 105 N -0.43 3.19 -0.05 -5.34 6.14 0.49 -4.76 117.35 116.59 1q53 s TYR 105 Ca 0.08 -1.91 0.05 0.00 0.64 0.00 0.00 57.07 55.93 1q53 s TYR 105 Cb -0.12 -2.03 -0.01 0.00 0.42 0.00 0.00 41.96 40.22 1q53 s TYR 105 CO 0.02 -0.81 -0.21 0.21 0.64 0.00 0.00 175.55 175.41 1q53 s LYS 106 N 1.23 2.18 -0.89 4.97 2.20 -1.26 -2.05 119.74 126.12 1q53 s LYS 106 Ca -0.04 -0.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.57 1q53 s LYS 106 Cb -0.19 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1q53 s LYS 106 CO -0.04 0.30 1.66 -1.25 -0.36 0.00 0.00 175.35 175.67 1q53 s PRO 107 N -0.04 3.04 -0.47 4.03 0.04 -1.26 -4.83 135.00 135.50 1q53 s PRO 107 Ca -0.04 -0.47 0.06 0.00 0.04 0.00 0.00 61.00 60.59 1q53 s PRO 107 Cb -0.13 -4.97 0.23 0.00 0.04 0.00 0.00 34.50 29.67 1q53 s PRO 107 CO 0.03 -2.69 0.53 2.41 0.04 0.00 0.00 177.00 177.31 1q53 n THR 108 N 7.22 0.02 -1.86 1.26 -1.04 -1.26 -5.10 114.28 113.51 1q53 n THR 108 Ca 0.30 -4.21 -0.31 0.00 -2.04 0.00 0.00 64.05 57.79 1q53 n THR 108 Cb 0.49 -1.94 0.01 0.00 -1.82 0.00 0.00 70.33 67.07 1q53 n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1q53 s SER 109 N -1.21 6.19 -0.00 8.00 1.04 -1.26 -5.06 113.70 121.40 1q53 s SER 109 Ca 0.35 1.42 -0.08 0.00 0.48 0.00 0.00 55.95 58.12 1q53 s SER 109 Cb 0.12 -2.46 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1q53 s SER 109 CO -0.11 -0.90 0.28 -0.69 0.98 0.00 0.00 173.24 172.80 1q53 s VAL 110 N -3.18 5.28 0.13 5.02 1.01 -1.26 -5.06 120.40 122.34 1q53 s VAL 110 Ca 0.55 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 1q53 s VAL 110 Cb -0.11 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1q53 s VAL 110 CO 0.54 0.42 1.26 -0.94 0.00 0.00 0.00 175.10 176.38 1q53 s SER 111 N -1.53 7.00 0.00 3.32 1.04 -1.26 -5.35 113.70 116.92 1q53 s SER 111 Ca 0.26 2.20 0.25 0.00 0.48 0.00 0.00 55.95 59.13 1q53 s SER 111 Cb -0.14 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 63.71 1q53 s SER 111 CO 0.14 -0.49 1.33 0.18 0.98 0.00 0.00 173.24 175.38